USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1012 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 130 SER OG : rot 180:sc= -0.195 USER MOD Set 1.2: A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 102 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 50 HIS : no HE2:sc= -0.0668 K(o=-0.29,f=-4.4!) USER MOD Set 3.2: A 53 GLN : amide:sc= -0.224 X(o=-0.29,f=-0.0087) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0133 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 161:sc= 1.25 (180deg=1.2) USER MOD Single : A 13 CYS SG : rot -52:sc= 0.711 USER MOD Single : A 17 TYR OH : rot 30:sc= -0.17 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot -98:sc= 0.759 USER MOD Single : A 31 THR OG1 : rot -59:sc= 1.14 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 43:sc= 1.32 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc=-0.00733 USER MOD Single : A 44 GLN : amide:sc= -0.318 K(o=-0.32,f=-1.8) USER MOD Single : A 48 TYR OH : rot 158:sc= 1.29 USER MOD Single : A 49 GLN : amide:sc= 0.162 X(o=0.16,f=0) USER MOD Single : A 54 GLN : amide:sc= 0.415 X(o=0.41,f=0) USER MOD Single : A 55 CYS SG : rot 66:sc= 0.17 USER MOD Single : A 56 THR OG1 : rot -170:sc= -0.846 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 37:sc= 0.0576 USER MOD Single : A 75 LYS NZ :NH3+ -169:sc=-0.00894 (180deg=-0.156) USER MOD Single : A 77 SER OG : rot 30:sc= 1.23 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 77:sc= 0.016 USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 90 SER OG : rot 180:sc= -0.0541 USER MOD Single : A 93 GLN : amide:sc= -0.611 K(o=-0.61,f=-8.2!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot -88:sc= 0.656 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= 0.141 K(o=0.14,f=-0.49) USER MOD Single : A 110 ASN : amide:sc= 0.356 K(o=0.36,f=-3.5!) USER MOD Single : A 113 LYS NZ :NH3+ -174:sc= 1.24 (180deg=1.08) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -149:sc= -0.22 (180deg=-1.12) USER MOD Single : A 129 LYS NZ :NH3+ -137:sc= 1.31 (180deg=0.763) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 67 N ALA A 5 0.281 -22.445 -0.019 1.00 0.00 N ATOM 68 CA ALA A 5 0.249 -21.735 1.246 1.00 0.00 C ATOM 69 C ALA A 5 1.674 -21.294 1.567 1.00 0.00 C ATOM 70 O ALA A 5 2.379 -21.962 2.331 1.00 0.00 O ATOM 71 CB ALA A 5 -0.336 -22.620 2.354 1.00 0.00 C ATOM 0 HA ALA A 5 -0.398 -20.860 1.178 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -0.350 -22.066 3.293 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.353 -22.910 2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.278 -23.513 2.469 1.00 0.00 H new ATOM 77 N THR A 6 2.132 -20.225 0.923 1.00 0.00 N ATOM 78 CA THR A 6 3.435 -19.641 1.197 1.00 0.00 C ATOM 79 C THR A 6 3.366 -19.033 2.615 1.00 0.00 C ATOM 80 O THR A 6 2.272 -18.815 3.154 1.00 0.00 O ATOM 81 CB THR A 6 3.745 -18.591 0.111 1.00 0.00 C ATOM 82 OG1 THR A 6 3.303 -19.025 -1.166 1.00 0.00 O ATOM 83 CG2 THR A 6 5.251 -18.330 0.002 1.00 0.00 C ATOM 0 H THR A 6 1.607 -19.740 0.195 1.00 0.00 H new ATOM 0 HA THR A 6 4.241 -20.374 1.169 1.00 0.00 H new ATOM 0 HB THR A 6 3.221 -17.682 0.408 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.511 -18.339 -1.835 1.00 0.00 H new ATOM 0 HG21 THR A 6 5.436 -17.585 -0.772 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.627 -17.962 0.957 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.763 -19.257 -0.256 1.00 0.00 H new ATOM 91 N LYS A 7 4.506 -18.751 3.241 1.00 0.00 N ATOM 92 CA LYS A 7 4.588 -18.223 4.600 1.00 0.00 C ATOM 93 C LYS A 7 5.546 -17.042 4.623 1.00 0.00 C ATOM 94 O LYS A 7 6.011 -16.595 3.579 1.00 0.00 O ATOM 95 CB LYS A 7 4.932 -19.402 5.533 1.00 0.00 C ATOM 96 CG LYS A 7 5.100 -19.057 7.018 1.00 0.00 C ATOM 97 CD LYS A 7 4.889 -20.246 7.955 1.00 0.00 C ATOM 98 CE LYS A 7 3.400 -20.396 8.287 1.00 0.00 C ATOM 99 NZ LYS A 7 3.194 -21.106 9.560 1.00 0.00 N ATOM 0 H LYS A 7 5.419 -18.886 2.807 1.00 0.00 H new ATOM 0 HA LYS A 7 3.648 -17.811 4.966 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.147 -20.153 5.441 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.855 -19.861 5.180 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.100 -18.654 7.177 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.394 -18.269 7.281 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.259 -21.158 7.487 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.462 -20.103 8.871 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.938 -19.410 8.342 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.901 -20.938 7.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.175 -21.188 9.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.613 -22.056 9.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.649 -20.576 10.331 1.00 0.00 H new ATOM 113 N ILE A 8 5.736 -16.461 5.799 1.00 0.00 N ATOM 114 CA ILE A 8 6.625 -15.343 6.034 1.00 0.00 C ATOM 115 C ILE A 8 7.348 -15.552 7.359 1.00 0.00 C ATOM 116 O ILE A 8 6.811 -16.194 8.267 1.00 0.00 O ATOM 117 CB ILE A 8 5.832 -14.014 6.053 1.00 0.00 C ATOM 118 CG1 ILE A 8 5.110 -13.671 7.370 1.00 0.00 C ATOM 119 CG2 ILE A 8 4.829 -13.921 4.901 1.00 0.00 C ATOM 120 CD1 ILE A 8 3.919 -14.540 7.795 1.00 0.00 C ATOM 0 H ILE A 8 5.255 -16.770 6.644 1.00 0.00 H new ATOM 0 HA ILE A 8 7.356 -15.286 5.227 1.00 0.00 H new ATOM 0 HB ILE A 8 6.622 -13.272 5.937 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.848 -13.703 8.172 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.761 -12.641 7.299 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.297 -12.971 4.957 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.359 -13.984 3.951 1.00 0.00 H new ATOM 0 HG23 ILE A 8 4.115 -14.741 4.973 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.519 -14.173 8.740 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.143 -14.493 7.031 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.247 -15.572 7.917 1.00 0.00 H new ATOM 132 N ASP A 9 8.564 -15.030 7.486 1.00 0.00 N ATOM 133 CA ASP A 9 9.305 -15.071 8.744 1.00 0.00 C ATOM 134 C ASP A 9 9.002 -13.701 9.335 1.00 0.00 C ATOM 135 O ASP A 9 9.748 -12.735 9.135 1.00 0.00 O ATOM 136 CB ASP A 9 10.799 -15.351 8.564 1.00 0.00 C ATOM 137 CG ASP A 9 11.505 -15.523 9.910 1.00 0.00 C ATOM 138 OD1 ASP A 9 11.111 -14.903 10.924 1.00 0.00 O ATOM 139 OD2 ASP A 9 12.347 -16.449 9.981 1.00 0.00 O ATOM 0 H ASP A 9 9.062 -14.569 6.725 1.00 0.00 H new ATOM 0 HA ASP A 9 9.008 -15.893 9.396 1.00 0.00 H new ATOM 0 HB2 ASP A 9 10.931 -16.252 7.965 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.260 -14.531 8.013 1.00 0.00 H new ATOM 144 N LYS A 10 7.812 -13.583 9.939 1.00 0.00 N ATOM 145 CA LYS A 10 7.334 -12.308 10.465 1.00 0.00 C ATOM 146 C LYS A 10 8.163 -11.800 11.625 1.00 0.00 C ATOM 147 O LYS A 10 8.144 -10.597 11.858 1.00 0.00 O ATOM 148 CB LYS A 10 5.838 -12.302 10.794 1.00 0.00 C ATOM 149 CG LYS A 10 5.462 -13.203 11.963 1.00 0.00 C ATOM 150 CD LYS A 10 3.972 -13.047 12.295 1.00 0.00 C ATOM 151 CE LYS A 10 3.490 -14.067 13.325 1.00 0.00 C ATOM 152 NZ LYS A 10 4.081 -13.841 14.657 1.00 0.00 N ATOM 0 H LYS A 10 7.165 -14.360 10.073 1.00 0.00 H new ATOM 0 HA LYS A 10 7.468 -11.603 9.645 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.529 -11.281 11.020 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.280 -12.616 9.912 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.680 -14.242 11.716 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.065 -12.950 12.835 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.791 -12.041 12.673 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.387 -13.154 11.382 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.404 -14.019 13.399 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.742 -15.071 12.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.507 -14.324 15.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.050 -14.219 14.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.103 -12.821 14.858 1.00 0.00 H new ATOM 166 N GLU A 11 8.854 -12.668 12.353 1.00 0.00 N ATOM 167 CA GLU A 11 9.734 -12.269 13.434 1.00 0.00 C ATOM 168 C GLU A 11 10.908 -11.490 12.823 1.00 0.00 C ATOM 169 O GLU A 11 11.114 -10.321 13.163 1.00 0.00 O ATOM 170 CB GLU A 11 10.164 -13.520 14.222 1.00 0.00 C ATOM 171 CG GLU A 11 9.110 -14.007 15.239 1.00 0.00 C ATOM 172 CD GLU A 11 7.730 -14.389 14.674 1.00 0.00 C ATOM 173 OE1 GLU A 11 7.629 -15.076 13.631 1.00 0.00 O ATOM 174 OE2 GLU A 11 6.704 -14.053 15.307 1.00 0.00 O ATOM 0 H GLU A 11 8.816 -13.677 12.205 1.00 0.00 H new ATOM 0 HA GLU A 11 9.239 -11.612 14.149 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.377 -14.326 13.519 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.093 -13.304 14.750 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.516 -14.873 15.761 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.968 -13.224 15.984 1.00 0.00 H new ATOM 181 N ALA A 12 11.633 -12.092 11.871 1.00 0.00 N ATOM 182 CA ALA A 12 12.778 -11.449 11.234 1.00 0.00 C ATOM 183 C ALA A 12 12.348 -10.217 10.428 1.00 0.00 C ATOM 184 O ALA A 12 12.963 -9.156 10.553 1.00 0.00 O ATOM 185 CB ALA A 12 13.528 -12.461 10.366 1.00 0.00 C ATOM 0 H ALA A 12 11.440 -13.032 11.526 1.00 0.00 H new ATOM 0 HA ALA A 12 13.457 -11.096 12.010 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.381 -11.974 9.894 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.879 -13.284 10.988 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.859 -12.847 9.597 1.00 0.00 H new ATOM 191 N CYS A 13 11.272 -10.316 9.636 1.00 0.00 N ATOM 192 CA CYS A 13 10.762 -9.156 8.910 1.00 0.00 C ATOM 193 C CYS A 13 10.343 -8.040 9.872 1.00 0.00 C ATOM 194 O CYS A 13 10.611 -6.875 9.573 1.00 0.00 O ATOM 195 CB CYS A 13 9.590 -9.504 7.982 1.00 0.00 C ATOM 196 SG CYS A 13 10.069 -10.209 6.386 1.00 0.00 S ATOM 0 H CYS A 13 10.747 -11.177 9.486 1.00 0.00 H new ATOM 0 HA CYS A 13 11.585 -8.806 8.287 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.937 -10.211 8.494 1.00 0.00 H new ATOM 0 HB3 CYS A 13 9.006 -8.601 7.804 1.00 0.00 H new ATOM 0 HG CYS A 13 10.946 -9.437 5.816 1.00 0.00 H new ATOM 202 N ARG A 14 9.702 -8.349 11.010 1.00 0.00 N ATOM 203 CA ARG A 14 9.312 -7.321 11.975 1.00 0.00 C ATOM 204 C ARG A 14 10.537 -6.611 12.523 1.00 0.00 C ATOM 205 O ARG A 14 10.416 -5.424 12.798 1.00 0.00 O ATOM 206 CB ARG A 14 8.424 -7.867 13.107 1.00 0.00 C ATOM 207 CG ARG A 14 8.075 -6.799 14.162 1.00 0.00 C ATOM 208 CD ARG A 14 6.971 -7.280 15.102 1.00 0.00 C ATOM 209 NE ARG A 14 6.727 -6.333 16.204 1.00 0.00 N ATOM 210 CZ ARG A 14 5.698 -6.381 17.055 1.00 0.00 C ATOM 211 NH1 ARG A 14 4.693 -7.222 16.856 1.00 0.00 N ATOM 212 NH2 ARG A 14 5.684 -5.584 18.115 1.00 0.00 N ATOM 0 H ARG A 14 9.446 -9.299 11.279 1.00 0.00 H new ATOM 0 HA ARG A 14 8.701 -6.595 11.438 1.00 0.00 H new ATOM 0 HB2 ARG A 14 7.503 -8.264 12.680 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.934 -8.698 13.594 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.965 -6.553 14.741 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.756 -5.884 13.663 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.050 -7.421 14.536 1.00 0.00 H new ATOM 0 HD3 ARG A 14 7.244 -8.251 15.514 1.00 0.00 H new ATOM 0 HE ARG A 14 7.400 -5.577 16.328 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.700 -7.842 16.046 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.913 -7.249 17.513 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.457 -4.938 18.278 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.901 -5.617 18.768 1.00 0.00 H new ATOM 226 N ALA A 15 11.686 -7.274 12.677 1.00 0.00 N ATOM 227 CA ALA A 15 12.897 -6.609 13.123 1.00 0.00 C ATOM 228 C ALA A 15 13.270 -5.492 12.148 1.00 0.00 C ATOM 229 O ALA A 15 13.298 -4.327 12.531 1.00 0.00 O ATOM 230 CB ALA A 15 14.041 -7.616 13.317 1.00 0.00 C ATOM 0 H ALA A 15 11.796 -8.272 12.497 1.00 0.00 H new ATOM 0 HA ALA A 15 12.713 -6.154 14.096 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.936 -7.090 13.651 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.753 -8.354 14.065 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.247 -8.119 12.372 1.00 0.00 H new ATOM 236 N ALA A 16 13.480 -5.818 10.872 1.00 0.00 N ATOM 237 CA ALA A 16 13.810 -4.827 9.853 1.00 0.00 C ATOM 238 C ALA A 16 12.783 -3.702 9.803 1.00 0.00 C ATOM 239 O ALA A 16 13.143 -2.524 9.770 1.00 0.00 O ATOM 240 CB ALA A 16 13.834 -5.522 8.498 1.00 0.00 C ATOM 0 H ALA A 16 13.426 -6.773 10.519 1.00 0.00 H new ATOM 0 HA ALA A 16 14.779 -4.392 10.099 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.079 -4.797 7.722 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.585 -6.312 8.507 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.855 -5.955 8.294 1.00 0.00 H new ATOM 246 N TYR A 17 11.508 -4.083 9.770 1.00 0.00 N ATOM 247 CA TYR A 17 10.388 -3.167 9.813 1.00 0.00 C ATOM 248 C TYR A 17 10.513 -2.227 11.012 1.00 0.00 C ATOM 249 O TYR A 17 10.402 -1.021 10.837 1.00 0.00 O ATOM 250 CB TYR A 17 9.091 -3.984 9.777 1.00 0.00 C ATOM 251 CG TYR A 17 7.871 -3.276 10.319 1.00 0.00 C ATOM 252 CD1 TYR A 17 7.594 -3.390 11.694 1.00 0.00 C ATOM 253 CD2 TYR A 17 7.048 -2.488 9.495 1.00 0.00 C ATOM 254 CE1 TYR A 17 6.511 -2.706 12.260 1.00 0.00 C ATOM 255 CE2 TYR A 17 5.949 -1.809 10.051 1.00 0.00 C ATOM 256 CZ TYR A 17 5.680 -1.917 11.436 1.00 0.00 C ATOM 257 OH TYR A 17 4.635 -1.257 11.998 1.00 0.00 O ATOM 0 H TYR A 17 11.226 -5.062 9.711 1.00 0.00 H new ATOM 0 HA TYR A 17 10.377 -2.511 8.942 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.893 -4.277 8.746 1.00 0.00 H new ATOM 0 HB3 TYR A 17 9.242 -4.901 10.346 1.00 0.00 H new ATOM 0 HD1 TYR A 17 8.221 -4.010 12.317 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.259 -2.404 8.439 1.00 0.00 H new ATOM 0 HE1 TYR A 17 6.313 -2.782 13.319 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.311 -1.206 9.422 1.00 0.00 H new ATOM 0 HH TYR A 17 4.853 -1.030 12.926 1.00 0.00 H new ATOM 267 N ASN A 18 10.780 -2.749 12.209 1.00 0.00 N ATOM 268 CA ASN A 18 10.898 -1.983 13.441 1.00 0.00 C ATOM 269 C ASN A 18 12.043 -0.983 13.345 1.00 0.00 C ATOM 270 O ASN A 18 11.828 0.156 13.756 1.00 0.00 O ATOM 271 CB ASN A 18 11.093 -2.952 14.624 1.00 0.00 C ATOM 272 CG ASN A 18 11.387 -2.319 15.978 1.00 0.00 C ATOM 273 OD1 ASN A 18 12.198 -2.848 16.729 1.00 0.00 O ATOM 274 ND2 ASN A 18 10.714 -1.262 16.390 1.00 0.00 N ATOM 0 H ASN A 18 10.924 -3.749 12.348 1.00 0.00 H new ATOM 0 HA ASN A 18 9.984 -1.412 13.604 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.193 -3.560 14.719 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.911 -3.630 14.379 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.871 -0.891 17.327 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.037 -0.815 15.771 1.00 0.00 H new ATOM 281 N LEU A 19 13.217 -1.370 12.816 1.00 0.00 N ATOM 282 CA LEU A 19 14.320 -0.440 12.602 1.00 0.00 C ATOM 283 C LEU A 19 13.862 0.692 11.697 1.00 0.00 C ATOM 284 O LEU A 19 13.863 1.843 12.103 1.00 0.00 O ATOM 285 CB LEU A 19 15.567 -1.108 11.995 1.00 0.00 C ATOM 286 CG LEU A 19 16.510 -1.848 12.957 1.00 0.00 C ATOM 287 CD1 LEU A 19 15.881 -2.897 13.872 1.00 0.00 C ATOM 288 CD2 LEU A 19 17.601 -2.501 12.099 1.00 0.00 C ATOM 0 H LEU A 19 13.419 -2.328 12.530 1.00 0.00 H new ATOM 0 HA LEU A 19 14.608 -0.060 13.582 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.234 -1.817 11.237 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.145 -0.340 11.481 1.00 0.00 H new ATOM 0 HG LEU A 19 16.883 -1.098 13.654 1.00 0.00 H new ATOM 0 HD11 LEU A 19 16.653 -3.343 14.499 1.00 0.00 H new ATOM 0 HD12 LEU A 19 15.129 -2.425 14.504 1.00 0.00 H new ATOM 0 HD13 LEU A 19 15.411 -3.673 13.267 1.00 0.00 H new ATOM 0 HD21 LEU A 19 18.296 -3.040 12.743 1.00 0.00 H new ATOM 0 HD22 LEU A 19 17.143 -3.197 11.396 1.00 0.00 H new ATOM 0 HD23 LEU A 19 18.140 -1.731 11.547 1.00 0.00 H new ATOM 300 N VAL A 20 13.443 0.380 10.476 1.00 0.00 N ATOM 301 CA VAL A 20 13.057 1.386 9.492 1.00 0.00 C ATOM 302 C VAL A 20 11.890 2.251 10.001 1.00 0.00 C ATOM 303 O VAL A 20 11.811 3.436 9.673 1.00 0.00 O ATOM 304 CB VAL A 20 12.782 0.637 8.178 1.00 0.00 C ATOM 305 CG1 VAL A 20 12.082 1.460 7.100 1.00 0.00 C ATOM 306 CG2 VAL A 20 14.098 0.115 7.595 1.00 0.00 C ATOM 0 H VAL A 20 13.361 -0.579 10.139 1.00 0.00 H new ATOM 0 HA VAL A 20 13.851 2.112 9.315 1.00 0.00 H new ATOM 0 HB VAL A 20 12.101 -0.169 8.451 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.932 0.845 6.213 1.00 0.00 H new ATOM 0 HG12 VAL A 20 11.116 1.801 7.472 1.00 0.00 H new ATOM 0 HG13 VAL A 20 12.697 2.323 6.844 1.00 0.00 H new ATOM 0 HG21 VAL A 20 13.898 -0.415 6.664 1.00 0.00 H new ATOM 0 HG22 VAL A 20 14.767 0.953 7.399 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.567 -0.565 8.306 1.00 0.00 H new ATOM 316 N ARG A 21 10.991 1.692 10.819 1.00 0.00 N ATOM 317 CA ARG A 21 9.894 2.429 11.431 1.00 0.00 C ATOM 318 C ARG A 21 10.396 3.345 12.552 1.00 0.00 C ATOM 319 O ARG A 21 9.710 4.317 12.883 1.00 0.00 O ATOM 320 CB ARG A 21 8.830 1.439 11.960 1.00 0.00 C ATOM 321 CG ARG A 21 7.540 2.203 12.281 1.00 0.00 C ATOM 322 CD ARG A 21 6.322 1.351 12.662 1.00 0.00 C ATOM 323 NE ARG A 21 5.442 2.101 13.582 1.00 0.00 N ATOM 324 CZ ARG A 21 5.044 3.363 13.370 1.00 0.00 C ATOM 325 NH1 ARG A 21 4.856 3.828 12.139 1.00 0.00 N ATOM 326 NH2 ARG A 21 4.875 4.191 14.392 1.00 0.00 N ATOM 0 H ARG A 21 11.010 0.704 11.074 1.00 0.00 H new ATOM 0 HA ARG A 21 9.438 3.065 10.673 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.633 0.667 11.216 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.199 0.934 12.853 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.745 2.892 13.100 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.276 2.808 11.414 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.769 1.072 11.765 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.650 0.425 13.135 1.00 0.00 H new ATOM 0 HE ARG A 21 5.119 1.631 14.428 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.015 3.221 11.335 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.553 4.792 11.999 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.048 3.868 15.344 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.572 5.151 14.226 1.00 0.00 H new ATOM 340 N ASP A 22 11.513 3.026 13.200 1.00 0.00 N ATOM 341 CA ASP A 22 12.035 3.781 14.327 1.00 0.00 C ATOM 342 C ASP A 22 12.777 5.013 13.830 1.00 0.00 C ATOM 343 O ASP A 22 13.731 4.911 13.062 1.00 0.00 O ATOM 344 CB ASP A 22 12.955 2.908 15.193 1.00 0.00 C ATOM 345 CG ASP A 22 13.611 3.716 16.314 1.00 0.00 C ATOM 346 OD1 ASP A 22 12.960 4.646 16.849 1.00 0.00 O ATOM 347 OD2 ASP A 22 14.772 3.418 16.654 1.00 0.00 O ATOM 0 H ASP A 22 12.088 2.221 12.950 1.00 0.00 H new ATOM 0 HA ASP A 22 11.197 4.101 14.947 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.379 2.089 15.624 1.00 0.00 H new ATOM 0 HB3 ASP A 22 13.727 2.461 14.567 1.00 0.00 H new ATOM 352 N ASP A 23 12.364 6.189 14.298 1.00 0.00 N ATOM 353 CA ASP A 23 13.021 7.458 13.993 1.00 0.00 C ATOM 354 C ASP A 23 14.441 7.475 14.568 1.00 0.00 C ATOM 355 O ASP A 23 15.310 8.198 14.072 1.00 0.00 O ATOM 356 CB ASP A 23 12.198 8.618 14.574 1.00 0.00 C ATOM 357 CG ASP A 23 11.022 8.971 13.670 1.00 0.00 C ATOM 358 OD1 ASP A 23 9.991 8.259 13.690 1.00 0.00 O ATOM 359 OD2 ASP A 23 11.169 9.885 12.830 1.00 0.00 O ATOM 0 H ASP A 23 11.553 6.288 14.908 1.00 0.00 H new ATOM 0 HA ASP A 23 13.087 7.573 12.911 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.830 8.346 15.563 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.837 9.492 14.701 1.00 0.00 H new ATOM 364 N GLY A 24 14.700 6.654 15.589 1.00 0.00 N ATOM 365 CA GLY A 24 15.981 6.486 16.245 1.00 0.00 C ATOM 366 C GLY A 24 16.921 5.500 15.548 1.00 0.00 C ATOM 367 O GLY A 24 18.063 5.368 15.996 1.00 0.00 O ATOM 0 H GLY A 24 13.977 6.061 15.995 1.00 0.00 H new ATOM 0 HA2 GLY A 24 16.473 7.456 16.309 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.811 6.147 17.267 1.00 0.00 H new ATOM 371 N SER A 25 16.497 4.824 14.475 1.00 0.00 N ATOM 372 CA SER A 25 17.338 3.928 13.694 1.00 0.00 C ATOM 373 C SER A 25 18.098 4.726 12.645 1.00 0.00 C ATOM 374 O SER A 25 17.503 5.543 11.933 1.00 0.00 O ATOM 375 CB SER A 25 16.445 2.898 12.996 1.00 0.00 C ATOM 376 OG SER A 25 17.154 2.077 12.085 1.00 0.00 O ATOM 0 H SER A 25 15.542 4.889 14.124 1.00 0.00 H new ATOM 0 HA SER A 25 18.049 3.425 14.349 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.969 2.269 13.748 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.648 3.418 12.464 1.00 0.00 H new ATOM 0 HG SER A 25 17.037 2.422 11.175 1.00 0.00 H new ATOM 382 N ALA A 26 19.417 4.532 12.545 1.00 0.00 N ATOM 383 CA ALA A 26 20.202 5.178 11.502 1.00 0.00 C ATOM 384 C ALA A 26 19.816 4.544 10.161 1.00 0.00 C ATOM 385 O ALA A 26 19.758 5.245 9.153 1.00 0.00 O ATOM 386 CB ALA A 26 21.701 5.013 11.774 1.00 0.00 C ATOM 0 H ALA A 26 19.956 3.935 13.172 1.00 0.00 H new ATOM 0 HA ALA A 26 19.994 6.248 11.481 1.00 0.00 H new ATOM 0 HB1 ALA A 26 22.270 5.502 10.984 1.00 0.00 H new ATOM 0 HB2 ALA A 26 21.949 5.466 12.734 1.00 0.00 H new ATOM 0 HB3 ALA A 26 21.952 3.953 11.798 1.00 0.00 H new ATOM 392 N VAL A 27 19.537 3.232 10.142 1.00 0.00 N ATOM 393 CA VAL A 27 19.067 2.509 8.971 1.00 0.00 C ATOM 394 C VAL A 27 17.710 3.085 8.577 1.00 0.00 C ATOM 395 O VAL A 27 16.815 3.173 9.422 1.00 0.00 O ATOM 396 CB VAL A 27 18.990 0.996 9.276 1.00 0.00 C ATOM 397 CG1 VAL A 27 18.061 0.217 8.338 1.00 0.00 C ATOM 398 CG2 VAL A 27 20.397 0.380 9.223 1.00 0.00 C ATOM 0 H VAL A 27 19.637 2.638 10.965 1.00 0.00 H new ATOM 0 HA VAL A 27 19.758 2.626 8.136 1.00 0.00 H new ATOM 0 HB VAL A 27 18.564 0.913 10.276 1.00 0.00 H new ATOM 0 HG11 VAL A 27 18.062 -0.837 8.617 1.00 0.00 H new ATOM 0 HG12 VAL A 27 17.048 0.613 8.418 1.00 0.00 H new ATOM 0 HG13 VAL A 27 18.411 0.320 7.311 1.00 0.00 H new ATOM 0 HG21 VAL A 27 20.336 -0.687 9.439 1.00 0.00 H new ATOM 0 HG22 VAL A 27 20.821 0.525 8.229 1.00 0.00 H new ATOM 0 HG23 VAL A 27 21.034 0.864 9.963 1.00 0.00 H new ATOM 408 N ILE A 28 17.568 3.397 7.287 1.00 0.00 N ATOM 409 CA ILE A 28 16.366 3.926 6.662 1.00 0.00 C ATOM 410 C ILE A 28 15.793 2.915 5.655 1.00 0.00 C ATOM 411 O ILE A 28 14.599 2.976 5.352 1.00 0.00 O ATOM 412 CB ILE A 28 16.622 5.330 6.059 1.00 0.00 C ATOM 413 CG1 ILE A 28 17.300 5.344 4.667 1.00 0.00 C ATOM 414 CG2 ILE A 28 17.390 6.247 7.021 1.00 0.00 C ATOM 415 CD1 ILE A 28 16.247 5.535 3.563 1.00 0.00 C ATOM 0 H ILE A 28 18.331 3.279 6.621 1.00 0.00 H new ATOM 0 HA ILE A 28 15.599 4.068 7.423 1.00 0.00 H new ATOM 0 HB ILE A 28 15.616 5.720 5.907 1.00 0.00 H new ATOM 0 HG12 ILE A 28 18.035 6.148 4.621 1.00 0.00 H new ATOM 0 HG13 ILE A 28 17.839 4.410 4.508 1.00 0.00 H new ATOM 0 HG21 ILE A 28 17.544 7.219 6.552 1.00 0.00 H new ATOM 0 HG22 ILE A 28 16.816 6.374 7.939 1.00 0.00 H new ATOM 0 HG23 ILE A 28 18.356 5.800 7.256 1.00 0.00 H new ATOM 0 HD11 ILE A 28 16.738 5.543 2.590 1.00 0.00 H new ATOM 0 HD12 ILE A 28 15.528 4.717 3.600 1.00 0.00 H new ATOM 0 HD13 ILE A 28 15.728 6.481 3.715 1.00 0.00 H new ATOM 427 N TRP A 29 16.614 1.996 5.119 1.00 0.00 N ATOM 428 CA TRP A 29 16.191 0.965 4.181 1.00 0.00 C ATOM 429 C TRP A 29 16.702 -0.404 4.605 1.00 0.00 C ATOM 430 O TRP A 29 17.829 -0.531 5.079 1.00 0.00 O ATOM 431 CB TRP A 29 16.697 1.280 2.758 1.00 0.00 C ATOM 432 CG TRP A 29 18.171 1.229 2.486 1.00 0.00 C ATOM 433 CD1 TRP A 29 18.979 2.305 2.382 1.00 0.00 C ATOM 434 CD2 TRP A 29 19.021 0.068 2.199 1.00 0.00 C ATOM 435 NE1 TRP A 29 20.255 1.893 2.070 1.00 0.00 N ATOM 436 CE2 TRP A 29 20.354 0.524 1.986 1.00 0.00 C ATOM 437 CE3 TRP A 29 18.812 -1.324 2.100 1.00 0.00 C ATOM 438 CZ2 TRP A 29 21.436 -0.352 1.800 1.00 0.00 C ATOM 439 CZ3 TRP A 29 19.885 -2.216 1.898 1.00 0.00 C ATOM 440 CH2 TRP A 29 21.202 -1.737 1.794 1.00 0.00 C ATOM 0 H TRP A 29 17.610 1.956 5.336 1.00 0.00 H new ATOM 0 HA TRP A 29 15.101 0.951 4.181 1.00 0.00 H new ATOM 0 HB2 TRP A 29 16.211 0.584 2.074 1.00 0.00 H new ATOM 0 HB3 TRP A 29 16.348 2.279 2.498 1.00 0.00 H new ATOM 0 HD1 TRP A 29 18.672 3.331 2.522 1.00 0.00 H new ATOM 0 HE1 TRP A 29 21.037 2.530 1.919 1.00 0.00 H new ATOM 0 HE3 TRP A 29 17.808 -1.715 2.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 22.435 0.034 1.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 19.693 -3.276 1.823 1.00 0.00 H new ATOM 0 HH2 TRP A 29 22.028 -2.428 1.710 1.00 0.00 H new ATOM 451 N VAL A 30 15.886 -1.439 4.424 1.00 0.00 N ATOM 452 CA VAL A 30 16.263 -2.831 4.682 1.00 0.00 C ATOM 453 C VAL A 30 15.709 -3.630 3.509 1.00 0.00 C ATOM 454 O VAL A 30 14.644 -3.293 2.994 1.00 0.00 O ATOM 455 CB VAL A 30 15.728 -3.383 6.018 1.00 0.00 C ATOM 456 CG1 VAL A 30 16.203 -4.837 6.213 1.00 0.00 C ATOM 457 CG2 VAL A 30 16.123 -2.581 7.267 1.00 0.00 C ATOM 0 H VAL A 30 14.928 -1.335 4.089 1.00 0.00 H new ATOM 0 HA VAL A 30 17.347 -2.907 4.771 1.00 0.00 H new ATOM 0 HB VAL A 30 14.644 -3.309 5.931 1.00 0.00 H new ATOM 0 HG11 VAL A 30 15.821 -5.221 7.159 1.00 0.00 H new ATOM 0 HG12 VAL A 30 15.831 -5.454 5.395 1.00 0.00 H new ATOM 0 HG13 VAL A 30 17.293 -4.866 6.223 1.00 0.00 H new ATOM 0 HG21 VAL A 30 15.696 -3.053 8.152 1.00 0.00 H new ATOM 0 HG22 VAL A 30 17.209 -2.558 7.356 1.00 0.00 H new ATOM 0 HG23 VAL A 30 15.744 -1.563 7.180 1.00 0.00 H new ATOM 467 N THR A 31 16.386 -4.697 3.102 1.00 0.00 N ATOM 468 CA THR A 31 15.935 -5.547 2.015 1.00 0.00 C ATOM 469 C THR A 31 15.348 -6.844 2.579 1.00 0.00 C ATOM 470 O THR A 31 15.585 -7.200 3.736 1.00 0.00 O ATOM 471 CB THR A 31 17.070 -5.778 0.993 1.00 0.00 C ATOM 472 OG1 THR A 31 18.253 -6.270 1.589 1.00 0.00 O ATOM 473 CG2 THR A 31 17.445 -4.513 0.216 1.00 0.00 C ATOM 0 H THR A 31 17.267 -4.995 3.521 1.00 0.00 H new ATOM 0 HA THR A 31 15.135 -5.051 1.465 1.00 0.00 H new ATOM 0 HB THR A 31 16.658 -6.522 0.311 1.00 0.00 H new ATOM 0 HG1 THR A 31 18.564 -5.637 2.269 1.00 0.00 H new ATOM 0 HG21 THR A 31 18.248 -4.741 -0.485 1.00 0.00 H new ATOM 0 HG22 THR A 31 16.575 -4.152 -0.333 1.00 0.00 H new ATOM 0 HG23 THR A 31 17.780 -3.744 0.912 1.00 0.00 H new ATOM 481 N PHE A 32 14.578 -7.552 1.757 1.00 0.00 N ATOM 482 CA PHE A 32 13.978 -8.839 2.055 1.00 0.00 C ATOM 483 C PHE A 32 14.214 -9.736 0.844 1.00 0.00 C ATOM 484 O PHE A 32 14.128 -9.264 -0.294 1.00 0.00 O ATOM 485 CB PHE A 32 12.467 -8.680 2.308 1.00 0.00 C ATOM 486 CG PHE A 32 12.036 -7.891 3.539 1.00 0.00 C ATOM 487 CD1 PHE A 32 12.677 -8.090 4.772 1.00 0.00 C ATOM 488 CD2 PHE A 32 10.931 -7.020 3.480 1.00 0.00 C ATOM 489 CE1 PHE A 32 12.240 -7.423 5.927 1.00 0.00 C ATOM 490 CE2 PHE A 32 10.467 -6.376 4.645 1.00 0.00 C ATOM 491 CZ PHE A 32 11.124 -6.569 5.874 1.00 0.00 C ATOM 0 H PHE A 32 14.347 -7.223 0.820 1.00 0.00 H new ATOM 0 HA PHE A 32 14.421 -9.271 2.952 1.00 0.00 H new ATOM 0 HB2 PHE A 32 12.028 -8.202 1.432 1.00 0.00 H new ATOM 0 HB3 PHE A 32 12.032 -9.677 2.379 1.00 0.00 H new ATOM 0 HD1 PHE A 32 13.518 -8.765 4.833 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.436 -6.844 2.536 1.00 0.00 H new ATOM 0 HE1 PHE A 32 12.763 -7.566 6.861 1.00 0.00 H new ATOM 0 HE2 PHE A 32 9.602 -5.731 4.594 1.00 0.00 H new ATOM 0 HZ PHE A 32 10.776 -6.068 6.765 1.00 0.00 H new ATOM 501 N LYS A 33 14.493 -11.017 1.082 1.00 0.00 N ATOM 502 CA LYS A 33 14.779 -12.026 0.060 1.00 0.00 C ATOM 503 C LYS A 33 13.810 -13.175 0.267 1.00 0.00 C ATOM 504 O LYS A 33 12.999 -13.142 1.194 1.00 0.00 O ATOM 505 CB LYS A 33 16.236 -12.527 0.094 1.00 0.00 C ATOM 506 CG LYS A 33 17.246 -11.419 0.386 1.00 0.00 C ATOM 507 CD LYS A 33 18.633 -11.760 -0.159 1.00 0.00 C ATOM 508 CE LYS A 33 19.557 -10.571 0.103 1.00 0.00 C ATOM 509 NZ LYS A 33 20.932 -10.827 -0.356 1.00 0.00 N ATOM 0 H LYS A 33 14.528 -11.396 2.028 1.00 0.00 H new ATOM 0 HA LYS A 33 14.651 -11.574 -0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 33 16.329 -13.304 0.853 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.478 -12.987 -0.864 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.900 -10.485 -0.058 1.00 0.00 H new ATOM 0 HG3 LYS A 33 17.308 -11.257 1.462 1.00 0.00 H new ATOM 0 HD2 LYS A 33 19.021 -12.656 0.325 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.580 -11.972 -1.227 1.00 0.00 H new ATOM 0 HE2 LYS A 33 19.165 -9.689 -0.403 1.00 0.00 H new ATOM 0 HE3 LYS A 33 19.567 -10.348 1.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 21.524 -9.995 -0.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 21.317 -11.653 0.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 20.927 -11.014 -1.379 1.00 0.00 H new ATOM 523 N TYR A 34 13.860 -14.175 -0.605 1.00 0.00 N ATOM 524 CA TYR A 34 13.031 -15.358 -0.458 1.00 0.00 C ATOM 525 C TYR A 34 13.892 -16.572 -0.182 1.00 0.00 C ATOM 526 O TYR A 34 14.992 -16.717 -0.721 1.00 0.00 O ATOM 527 CB TYR A 34 12.184 -15.573 -1.714 1.00 0.00 C ATOM 528 CG TYR A 34 11.128 -14.505 -1.854 1.00 0.00 C ATOM 529 CD1 TYR A 34 11.490 -13.222 -2.303 1.00 0.00 C ATOM 530 CD2 TYR A 34 9.817 -14.759 -1.415 1.00 0.00 C ATOM 531 CE1 TYR A 34 10.566 -12.174 -2.225 1.00 0.00 C ATOM 532 CE2 TYR A 34 8.865 -13.727 -1.418 1.00 0.00 C ATOM 533 CZ TYR A 34 9.263 -12.412 -1.755 1.00 0.00 C ATOM 534 OH TYR A 34 8.436 -11.353 -1.559 1.00 0.00 O ATOM 0 H TYR A 34 14.469 -14.187 -1.423 1.00 0.00 H new ATOM 0 HA TYR A 34 12.360 -15.212 0.389 1.00 0.00 H new ATOM 0 HB2 TYR A 34 12.827 -15.569 -2.594 1.00 0.00 H new ATOM 0 HB3 TYR A 34 11.709 -16.553 -1.671 1.00 0.00 H new ATOM 0 HD1 TYR A 34 12.476 -13.047 -2.706 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.542 -15.747 -1.076 1.00 0.00 H new ATOM 0 HE1 TYR A 34 10.855 -11.178 -2.527 1.00 0.00 H new ATOM 0 HE2 TYR A 34 7.836 -13.936 -1.165 1.00 0.00 H new ATOM 0 HH TYR A 34 8.522 -10.728 -2.309 1.00 0.00 H new ATOM 544 N ASP A 35 13.354 -17.462 0.634 1.00 0.00 N ATOM 545 CA ASP A 35 13.929 -18.754 0.987 1.00 0.00 C ATOM 546 C ASP A 35 12.790 -19.720 0.754 1.00 0.00 C ATOM 547 O ASP A 35 11.726 -19.489 1.314 1.00 0.00 O ATOM 548 CB ASP A 35 14.342 -18.742 2.459 1.00 0.00 C ATOM 549 CG ASP A 35 14.771 -20.105 2.999 1.00 0.00 C ATOM 550 OD1 ASP A 35 13.916 -20.987 3.231 1.00 0.00 O ATOM 551 OD2 ASP A 35 15.994 -20.267 3.224 1.00 0.00 O ATOM 0 H ASP A 35 12.458 -17.297 1.093 1.00 0.00 H new ATOM 0 HA ASP A 35 14.819 -19.013 0.413 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.163 -18.037 2.589 1.00 0.00 H new ATOM 0 HB3 ASP A 35 13.508 -18.373 3.056 1.00 0.00 H new ATOM 556 N GLY A 36 12.979 -20.742 -0.085 1.00 0.00 N ATOM 557 CA GLY A 36 11.959 -21.713 -0.475 1.00 0.00 C ATOM 558 C GLY A 36 10.567 -21.107 -0.664 1.00 0.00 C ATOM 559 O GLY A 36 10.261 -20.598 -1.749 1.00 0.00 O ATOM 0 H GLY A 36 13.881 -20.921 -0.526 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.265 -22.193 -1.405 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.905 -22.493 0.284 1.00 0.00 H new ATOM 563 N SER A 37 9.739 -21.149 0.381 1.00 0.00 N ATOM 564 CA SER A 37 8.372 -20.646 0.415 1.00 0.00 C ATOM 565 C SER A 37 8.131 -19.631 1.553 1.00 0.00 C ATOM 566 O SER A 37 7.034 -19.596 2.115 1.00 0.00 O ATOM 567 CB SER A 37 7.417 -21.849 0.403 1.00 0.00 C ATOM 568 OG SER A 37 7.785 -22.799 1.383 1.00 0.00 O ATOM 0 H SER A 37 10.023 -21.557 1.272 1.00 0.00 H new ATOM 0 HA SER A 37 8.170 -20.052 -0.476 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.397 -21.510 0.585 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.427 -22.315 -0.582 1.00 0.00 H new ATOM 0 HG SER A 37 7.161 -23.554 1.357 1.00 0.00 H new ATOM 574 N THR A 38 9.120 -18.802 1.903 1.00 0.00 N ATOM 575 CA THR A 38 8.991 -17.741 2.894 1.00 0.00 C ATOM 576 C THR A 38 9.818 -16.503 2.528 1.00 0.00 C ATOM 577 O THR A 38 10.570 -16.499 1.547 1.00 0.00 O ATOM 578 CB THR A 38 9.269 -18.304 4.297 1.00 0.00 C ATOM 579 OG1 THR A 38 8.703 -17.479 5.290 1.00 0.00 O ATOM 580 CG2 THR A 38 10.754 -18.452 4.642 1.00 0.00 C ATOM 0 H THR A 38 10.052 -18.856 1.493 1.00 0.00 H new ATOM 0 HA THR A 38 7.964 -17.377 2.901 1.00 0.00 H new ATOM 0 HB THR A 38 8.819 -19.297 4.277 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.890 -17.857 6.175 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.855 -18.856 5.649 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.227 -19.129 3.931 1.00 0.00 H new ATOM 0 HG23 THR A 38 11.238 -17.477 4.592 1.00 0.00 H new ATOM 588 N ILE A 39 9.630 -15.438 3.314 1.00 0.00 N ATOM 589 CA ILE A 39 10.357 -14.176 3.218 1.00 0.00 C ATOM 590 C ILE A 39 11.462 -14.215 4.272 1.00 0.00 C ATOM 591 O ILE A 39 11.175 -14.495 5.439 1.00 0.00 O ATOM 592 CB ILE A 39 9.456 -12.941 3.514 1.00 0.00 C ATOM 593 CG1 ILE A 39 8.015 -12.972 2.965 1.00 0.00 C ATOM 594 CG2 ILE A 39 10.162 -11.653 3.052 1.00 0.00 C ATOM 595 CD1 ILE A 39 7.911 -13.221 1.470 1.00 0.00 C ATOM 0 H ILE A 39 8.938 -15.435 4.064 1.00 0.00 H new ATOM 0 HA ILE A 39 10.737 -14.072 2.202 1.00 0.00 H new ATOM 0 HB ILE A 39 9.325 -12.971 4.596 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.458 -13.749 3.489 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.532 -12.023 3.196 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.525 -10.794 3.262 1.00 0.00 H new ATOM 0 HG22 ILE A 39 11.106 -11.544 3.585 1.00 0.00 H new ATOM 0 HG23 ILE A 39 10.355 -11.708 1.981 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.862 -13.226 1.174 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.436 -12.431 0.932 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.360 -14.184 1.229 1.00 0.00 H new ATOM 607 N VAL A 40 12.688 -13.864 3.898 1.00 0.00 N ATOM 608 CA VAL A 40 13.839 -13.764 4.794 1.00 0.00 C ATOM 609 C VAL A 40 14.404 -12.344 4.773 1.00 0.00 C ATOM 610 O VAL A 40 14.136 -11.604 3.821 1.00 0.00 O ATOM 611 CB VAL A 40 14.887 -14.825 4.440 1.00 0.00 C ATOM 612 CG1 VAL A 40 14.259 -16.198 4.591 1.00 0.00 C ATOM 613 CG2 VAL A 40 15.450 -14.706 3.031 1.00 0.00 C ATOM 0 H VAL A 40 12.917 -13.633 2.931 1.00 0.00 H new ATOM 0 HA VAL A 40 13.521 -13.965 5.817 1.00 0.00 H new ATOM 0 HB VAL A 40 15.722 -14.671 5.123 1.00 0.00 H new ATOM 0 HG11 VAL A 40 14.994 -16.964 4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 40 13.927 -16.335 5.620 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.405 -16.283 3.919 1.00 0.00 H new ATOM 0 HG21 VAL A 40 16.184 -15.495 2.865 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.641 -14.804 2.307 1.00 0.00 H new ATOM 0 HG23 VAL A 40 15.929 -13.734 2.911 1.00 0.00 H new ATOM 623 N PRO A 41 15.185 -11.931 5.783 1.00 0.00 N ATOM 624 CA PRO A 41 15.809 -10.626 5.756 1.00 0.00 C ATOM 625 C PRO A 41 16.958 -10.594 4.751 1.00 0.00 C ATOM 626 O PRO A 41 17.490 -11.623 4.326 1.00 0.00 O ATOM 627 CB PRO A 41 16.292 -10.371 7.188 1.00 0.00 C ATOM 628 CG PRO A 41 16.575 -11.779 7.706 1.00 0.00 C ATOM 629 CD PRO A 41 15.484 -12.612 7.035 1.00 0.00 C ATOM 0 HA PRO A 41 15.116 -9.848 5.435 1.00 0.00 H new ATOM 0 HB2 PRO A 41 17.185 -9.746 7.208 1.00 0.00 H new ATOM 0 HB3 PRO A 41 15.534 -9.865 7.786 1.00 0.00 H new ATOM 0 HG2 PRO A 41 17.572 -12.119 7.428 1.00 0.00 H new ATOM 0 HG3 PRO A 41 16.512 -11.830 8.793 1.00 0.00 H new ATOM 0 HD2 PRO A 41 15.825 -13.632 6.855 1.00 0.00 H new ATOM 0 HD3 PRO A 41 14.598 -12.679 7.666 1.00 0.00 H new ATOM 637 N GLY A 42 17.319 -9.378 4.370 1.00 0.00 N ATOM 638 CA GLY A 42 18.425 -9.026 3.509 1.00 0.00 C ATOM 639 C GLY A 42 19.227 -7.948 4.237 1.00 0.00 C ATOM 640 O GLY A 42 18.993 -7.667 5.418 1.00 0.00 O ATOM 0 H GLY A 42 16.804 -8.554 4.681 1.00 0.00 H new ATOM 0 HA2 GLY A 42 19.047 -9.897 3.303 1.00 0.00 H new ATOM 0 HA3 GLY A 42 18.065 -8.657 2.549 1.00 0.00 H new ATOM 644 N GLU A 43 20.216 -7.374 3.564 1.00 0.00 N ATOM 645 CA GLU A 43 21.032 -6.299 4.117 1.00 0.00 C ATOM 646 C GLU A 43 20.226 -5.008 4.255 1.00 0.00 C ATOM 647 O GLU A 43 19.100 -4.899 3.758 1.00 0.00 O ATOM 648 CB GLU A 43 22.256 -6.116 3.223 1.00 0.00 C ATOM 649 CG GLU A 43 23.232 -7.264 3.501 1.00 0.00 C ATOM 650 CD GLU A 43 24.307 -7.395 2.436 1.00 0.00 C ATOM 651 OE1 GLU A 43 24.791 -6.350 1.947 1.00 0.00 O ATOM 652 OE2 GLU A 43 24.670 -8.550 2.107 1.00 0.00 O ATOM 0 H GLU A 43 20.476 -7.642 2.615 1.00 0.00 H new ATOM 0 HA GLU A 43 21.360 -6.561 5.123 1.00 0.00 H new ATOM 0 HB2 GLU A 43 21.962 -6.113 2.173 1.00 0.00 H new ATOM 0 HB3 GLU A 43 22.732 -5.156 3.423 1.00 0.00 H new ATOM 0 HG2 GLU A 43 23.705 -7.106 4.470 1.00 0.00 H new ATOM 0 HG3 GLU A 43 22.676 -8.199 3.566 1.00 0.00 H new ATOM 659 N GLN A 44 20.824 -4.016 4.909 1.00 0.00 N ATOM 660 CA GLN A 44 20.211 -2.744 5.234 1.00 0.00 C ATOM 661 C GLN A 44 21.202 -1.587 5.101 1.00 0.00 C ATOM 662 O GLN A 44 22.403 -1.804 4.908 1.00 0.00 O ATOM 663 CB GLN A 44 19.601 -2.861 6.640 1.00 0.00 C ATOM 664 CG GLN A 44 20.544 -3.216 7.802 1.00 0.00 C ATOM 665 CD GLN A 44 20.841 -4.714 7.930 1.00 0.00 C ATOM 666 OE1 GLN A 44 21.750 -5.252 7.306 1.00 0.00 O ATOM 667 NE2 GLN A 44 20.107 -5.436 8.763 1.00 0.00 N ATOM 0 H GLN A 44 21.787 -4.085 5.237 1.00 0.00 H new ATOM 0 HA GLN A 44 19.417 -2.512 4.524 1.00 0.00 H new ATOM 0 HB2 GLN A 44 19.120 -1.912 6.877 1.00 0.00 H new ATOM 0 HB3 GLN A 44 18.816 -3.616 6.603 1.00 0.00 H new ATOM 0 HG2 GLN A 44 21.484 -2.680 7.670 1.00 0.00 H new ATOM 0 HG3 GLN A 44 20.104 -2.863 8.734 1.00 0.00 H new ATOM 0 HE21 GLN A 44 19.349 -4.997 9.286 1.00 0.00 H new ATOM 0 HE22 GLN A 44 20.300 -6.431 8.881 1.00 0.00 H new ATOM 676 N GLY A 45 20.705 -0.355 5.208 1.00 0.00 N ATOM 677 CA GLY A 45 21.520 0.838 5.107 1.00 0.00 C ATOM 678 C GLY A 45 20.790 2.088 5.571 1.00 0.00 C ATOM 679 O GLY A 45 19.573 2.100 5.770 1.00 0.00 O ATOM 0 H GLY A 45 19.716 -0.164 5.369 1.00 0.00 H new ATOM 0 HA2 GLY A 45 22.423 0.707 5.703 1.00 0.00 H new ATOM 0 HA3 GLY A 45 21.837 0.970 4.072 1.00 0.00 H new ATOM 683 N ALA A 46 21.568 3.151 5.739 1.00 0.00 N ATOM 684 CA ALA A 46 21.185 4.458 6.254 1.00 0.00 C ATOM 685 C ALA A 46 21.271 5.554 5.190 1.00 0.00 C ATOM 686 O ALA A 46 20.824 6.673 5.438 1.00 0.00 O ATOM 687 CB ALA A 46 22.168 4.766 7.393 1.00 0.00 C ATOM 0 H ALA A 46 22.559 3.118 5.500 1.00 0.00 H new ATOM 0 HA ALA A 46 20.147 4.437 6.587 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.933 5.739 7.824 1.00 0.00 H new ATOM 0 HB2 ALA A 46 22.085 3.999 8.163 1.00 0.00 H new ATOM 0 HB3 ALA A 46 23.185 4.779 7.002 1.00 0.00 H new ATOM 693 N GLU A 47 21.839 5.247 4.028 1.00 0.00 N ATOM 694 CA GLU A 47 22.071 6.141 2.907 1.00 0.00 C ATOM 695 C GLU A 47 21.659 5.336 1.666 1.00 0.00 C ATOM 696 O GLU A 47 21.810 4.113 1.650 1.00 0.00 O ATOM 697 CB GLU A 47 23.534 6.622 3.004 1.00 0.00 C ATOM 698 CG GLU A 47 24.168 7.170 1.721 1.00 0.00 C ATOM 699 CD GLU A 47 25.032 6.100 1.050 1.00 0.00 C ATOM 700 OE1 GLU A 47 24.494 5.015 0.740 1.00 0.00 O ATOM 701 OE2 GLU A 47 26.228 6.340 0.784 1.00 0.00 O ATOM 0 H GLU A 47 22.171 4.302 3.835 1.00 0.00 H new ATOM 0 HA GLU A 47 21.491 7.064 2.878 1.00 0.00 H new ATOM 0 HB2 GLU A 47 23.586 7.398 3.767 1.00 0.00 H new ATOM 0 HB3 GLU A 47 24.143 5.789 3.355 1.00 0.00 H new ATOM 0 HG2 GLU A 47 23.388 7.499 1.035 1.00 0.00 H new ATOM 0 HG3 GLU A 47 24.777 8.044 1.954 1.00 0.00 H new ATOM 708 N TYR A 48 21.084 5.988 0.647 1.00 0.00 N ATOM 709 CA TYR A 48 20.564 5.285 -0.527 1.00 0.00 C ATOM 710 C TYR A 48 21.602 4.968 -1.607 1.00 0.00 C ATOM 711 O TYR A 48 21.329 4.090 -2.416 1.00 0.00 O ATOM 712 CB TYR A 48 19.380 6.076 -1.117 1.00 0.00 C ATOM 713 CG TYR A 48 18.493 5.275 -2.061 1.00 0.00 C ATOM 714 CD1 TYR A 48 17.556 4.357 -1.543 1.00 0.00 C ATOM 715 CD2 TYR A 48 18.607 5.436 -3.456 1.00 0.00 C ATOM 716 CE1 TYR A 48 16.746 3.602 -2.412 1.00 0.00 C ATOM 717 CE2 TYR A 48 17.803 4.679 -4.326 1.00 0.00 C ATOM 718 CZ TYR A 48 16.866 3.757 -3.812 1.00 0.00 C ATOM 719 OH TYR A 48 16.083 3.015 -4.645 1.00 0.00 O ATOM 0 H TYR A 48 20.968 7.001 0.614 1.00 0.00 H new ATOM 0 HA TYR A 48 20.235 4.308 -0.172 1.00 0.00 H new ATOM 0 HB2 TYR A 48 18.768 6.455 -0.298 1.00 0.00 H new ATOM 0 HB3 TYR A 48 19.769 6.943 -1.652 1.00 0.00 H new ATOM 0 HD1 TYR A 48 17.459 4.233 -0.475 1.00 0.00 H new ATOM 0 HD2 TYR A 48 19.316 6.144 -3.859 1.00 0.00 H new ATOM 0 HE1 TYR A 48 16.030 2.902 -2.008 1.00 0.00 H new ATOM 0 HE2 TYR A 48 17.903 4.804 -5.394 1.00 0.00 H new ATOM 0 HH TYR A 48 16.015 3.462 -5.514 1.00 0.00 H new ATOM 729 N GLN A 49 22.792 5.579 -1.617 1.00 0.00 N ATOM 730 CA GLN A 49 23.821 5.351 -2.637 1.00 0.00 C ATOM 731 C GLN A 49 24.207 3.864 -2.676 1.00 0.00 C ATOM 732 O GLN A 49 24.452 3.292 -3.740 1.00 0.00 O ATOM 733 CB GLN A 49 25.040 6.211 -2.290 1.00 0.00 C ATOM 734 CG GLN A 49 26.149 6.273 -3.337 1.00 0.00 C ATOM 735 CD GLN A 49 27.379 7.056 -2.858 1.00 0.00 C ATOM 736 OE1 GLN A 49 28.130 7.568 -3.675 1.00 0.00 O ATOM 737 NE2 GLN A 49 27.655 7.165 -1.562 1.00 0.00 N ATOM 0 H GLN A 49 23.071 6.255 -0.906 1.00 0.00 H new ATOM 0 HA GLN A 49 23.442 5.626 -3.621 1.00 0.00 H new ATOM 0 HB2 GLN A 49 24.697 7.227 -2.096 1.00 0.00 H new ATOM 0 HB3 GLN A 49 25.469 5.836 -1.361 1.00 0.00 H new ATOM 0 HG2 GLN A 49 26.450 5.259 -3.601 1.00 0.00 H new ATOM 0 HG3 GLN A 49 25.760 6.736 -4.244 1.00 0.00 H new ATOM 0 HE21 GLN A 49 27.035 6.742 -0.871 1.00 0.00 H new ATOM 0 HE22 GLN A 49 28.486 7.672 -1.259 1.00 0.00 H new ATOM 746 N HIS A 50 24.253 3.214 -1.513 1.00 0.00 N ATOM 747 CA HIS A 50 24.539 1.793 -1.432 1.00 0.00 C ATOM 748 C HIS A 50 23.361 0.939 -1.903 1.00 0.00 C ATOM 749 O HIS A 50 23.590 -0.187 -2.328 1.00 0.00 O ATOM 750 CB HIS A 50 25.004 1.434 -0.016 1.00 0.00 C ATOM 751 CG HIS A 50 26.384 1.992 0.238 1.00 0.00 C ATOM 752 ND1 HIS A 50 26.685 3.304 0.533 1.00 0.00 N ATOM 753 CD2 HIS A 50 27.570 1.344 0.012 1.00 0.00 C ATOM 754 CE1 HIS A 50 28.017 3.444 0.493 1.00 0.00 C ATOM 755 NE2 HIS A 50 28.601 2.276 0.170 1.00 0.00 N ATOM 0 H HIS A 50 24.093 3.660 -0.610 1.00 0.00 H new ATOM 0 HA HIS A 50 25.354 1.564 -2.119 1.00 0.00 H new ATOM 0 HB2 HIS A 50 24.302 1.832 0.717 1.00 0.00 H new ATOM 0 HB3 HIS A 50 25.013 0.351 0.108 1.00 0.00 H new ATOM 0 HD1 HIS A 50 26.011 4.040 0.745 1.00 0.00 H new ATOM 0 HD2 HIS A 50 27.688 0.301 -0.242 1.00 0.00 H new ATOM 0 HE1 HIS A 50 28.547 4.364 0.692 1.00 0.00 H new ATOM 763 N PHE A 51 22.123 1.440 -1.911 1.00 0.00 N ATOM 764 CA PHE A 51 20.976 0.680 -2.400 1.00 0.00 C ATOM 765 C PHE A 51 21.173 0.353 -3.881 1.00 0.00 C ATOM 766 O PHE A 51 20.982 -0.791 -4.298 1.00 0.00 O ATOM 767 CB PHE A 51 19.675 1.466 -2.182 1.00 0.00 C ATOM 768 CG PHE A 51 18.419 0.609 -2.175 1.00 0.00 C ATOM 769 CD1 PHE A 51 18.017 -0.084 -3.330 1.00 0.00 C ATOM 770 CD2 PHE A 51 17.630 0.511 -1.015 1.00 0.00 C ATOM 771 CE1 PHE A 51 16.825 -0.821 -3.354 1.00 0.00 C ATOM 772 CE2 PHE A 51 16.431 -0.224 -1.031 1.00 0.00 C ATOM 773 CZ PHE A 51 16.019 -0.869 -2.211 1.00 0.00 C ATOM 0 H PHE A 51 21.891 2.377 -1.581 1.00 0.00 H new ATOM 0 HA PHE A 51 20.900 -0.252 -1.840 1.00 0.00 H new ATOM 0 HB2 PHE A 51 19.742 2.000 -1.234 1.00 0.00 H new ATOM 0 HB3 PHE A 51 19.583 2.218 -2.966 1.00 0.00 H new ATOM 0 HD1 PHE A 51 18.637 -0.048 -4.214 1.00 0.00 H new ATOM 0 HD2 PHE A 51 17.946 1.003 -0.107 1.00 0.00 H new ATOM 0 HE1 PHE A 51 16.530 -1.349 -4.249 1.00 0.00 H new ATOM 0 HE2 PHE A 51 15.827 -0.293 -0.138 1.00 0.00 H new ATOM 0 HZ PHE A 51 15.080 -1.402 -2.235 1.00 0.00 H new ATOM 783 N ILE A 52 21.576 1.343 -4.684 1.00 0.00 N ATOM 784 CA ILE A 52 21.780 1.159 -6.118 1.00 0.00 C ATOM 785 C ILE A 52 22.876 0.110 -6.346 1.00 0.00 C ATOM 786 O ILE A 52 22.744 -0.723 -7.241 1.00 0.00 O ATOM 787 CB ILE A 52 22.066 2.504 -6.827 1.00 0.00 C ATOM 788 CG1 ILE A 52 21.086 3.624 -6.397 1.00 0.00 C ATOM 789 CG2 ILE A 52 21.973 2.353 -8.353 1.00 0.00 C ATOM 790 CD1 ILE A 52 21.779 4.608 -5.468 1.00 0.00 C ATOM 0 H ILE A 52 21.768 2.290 -4.356 1.00 0.00 H new ATOM 0 HA ILE A 52 20.863 0.783 -6.571 1.00 0.00 H new ATOM 0 HB ILE A 52 23.076 2.786 -6.531 1.00 0.00 H new ATOM 0 HG12 ILE A 52 20.713 4.147 -7.278 1.00 0.00 H new ATOM 0 HG13 ILE A 52 20.222 3.187 -5.895 1.00 0.00 H new ATOM 0 HG21 ILE A 52 22.178 3.313 -8.827 1.00 0.00 H new ATOM 0 HG22 ILE A 52 22.703 1.618 -8.691 1.00 0.00 H new ATOM 0 HG23 ILE A 52 20.971 2.021 -8.625 1.00 0.00 H new ATOM 0 HD11 ILE A 52 21.077 5.388 -5.175 1.00 0.00 H new ATOM 0 HD12 ILE A 52 22.130 4.084 -4.579 1.00 0.00 H new ATOM 0 HD13 ILE A 52 22.628 5.058 -5.983 1.00 0.00 H new ATOM 802 N GLN A 53 23.922 0.101 -5.511 1.00 0.00 N ATOM 803 CA GLN A 53 24.978 -0.902 -5.583 1.00 0.00 C ATOM 804 C GLN A 53 24.444 -2.303 -5.243 1.00 0.00 C ATOM 805 O GLN A 53 24.871 -3.281 -5.856 1.00 0.00 O ATOM 806 CB GLN A 53 26.115 -0.577 -4.599 1.00 0.00 C ATOM 807 CG GLN A 53 26.811 0.779 -4.789 1.00 0.00 C ATOM 808 CD GLN A 53 27.786 1.031 -3.637 1.00 0.00 C ATOM 809 OE1 GLN A 53 28.562 0.157 -3.272 1.00 0.00 O ATOM 810 NE2 GLN A 53 27.739 2.196 -3.011 1.00 0.00 N ATOM 0 H GLN A 53 24.055 0.789 -4.770 1.00 0.00 H new ATOM 0 HA GLN A 53 25.352 -0.888 -6.607 1.00 0.00 H new ATOM 0 HB2 GLN A 53 25.713 -0.617 -3.586 1.00 0.00 H new ATOM 0 HB3 GLN A 53 26.868 -1.362 -4.674 1.00 0.00 H new ATOM 0 HG2 GLN A 53 27.346 0.793 -5.739 1.00 0.00 H new ATOM 0 HG3 GLN A 53 26.069 1.576 -4.829 1.00 0.00 H new ATOM 0 HE21 GLN A 53 27.089 2.917 -3.324 1.00 0.00 H new ATOM 0 HE22 GLN A 53 28.353 2.373 -2.216 1.00 0.00 H new ATOM 819 N GLN A 54 23.548 -2.399 -4.259 1.00 0.00 N ATOM 820 CA GLN A 54 22.981 -3.631 -3.716 1.00 0.00 C ATOM 821 C GLN A 54 21.970 -4.325 -4.627 1.00 0.00 C ATOM 822 O GLN A 54 21.740 -5.522 -4.457 1.00 0.00 O ATOM 823 CB GLN A 54 22.320 -3.308 -2.366 1.00 0.00 C ATOM 824 CG GLN A 54 23.359 -2.968 -1.291 1.00 0.00 C ATOM 825 CD GLN A 54 23.841 -4.216 -0.587 1.00 0.00 C ATOM 826 OE1 GLN A 54 24.761 -4.897 -1.031 1.00 0.00 O ATOM 827 NE2 GLN A 54 23.209 -4.559 0.512 1.00 0.00 N ATOM 0 H GLN A 54 23.178 -1.570 -3.794 1.00 0.00 H new ATOM 0 HA GLN A 54 23.807 -4.334 -3.610 1.00 0.00 H new ATOM 0 HB2 GLN A 54 21.635 -2.469 -2.488 1.00 0.00 H new ATOM 0 HB3 GLN A 54 21.725 -4.161 -2.039 1.00 0.00 H new ATOM 0 HG2 GLN A 54 24.205 -2.455 -1.748 1.00 0.00 H new ATOM 0 HG3 GLN A 54 22.924 -2.282 -0.564 1.00 0.00 H new ATOM 0 HE21 GLN A 54 22.447 -3.979 0.864 1.00 0.00 H new ATOM 0 HE22 GLN A 54 23.480 -5.405 1.013 1.00 0.00 H new ATOM 836 N CYS A 55 21.320 -3.604 -5.543 1.00 0.00 N ATOM 837 CA CYS A 55 20.407 -4.218 -6.498 1.00 0.00 C ATOM 838 C CYS A 55 21.226 -5.161 -7.375 1.00 0.00 C ATOM 839 O CYS A 55 22.121 -4.701 -8.090 1.00 0.00 O ATOM 840 CB CYS A 55 19.726 -3.128 -7.319 1.00 0.00 C ATOM 841 SG CYS A 55 18.636 -2.182 -6.218 1.00 0.00 S ATOM 0 H CYS A 55 21.412 -2.593 -5.640 1.00 0.00 H new ATOM 0 HA CYS A 55 19.622 -4.785 -5.997 1.00 0.00 H new ATOM 0 HB2 CYS A 55 20.470 -2.473 -7.771 1.00 0.00 H new ATOM 0 HB3 CYS A 55 19.152 -3.569 -8.134 1.00 0.00 H new ATOM 0 HG CYS A 55 19.352 -1.551 -5.336 1.00 0.00 H new ATOM 847 N THR A 56 20.929 -6.459 -7.350 1.00 0.00 N ATOM 848 CA THR A 56 21.693 -7.456 -8.068 1.00 0.00 C ATOM 849 C THR A 56 21.262 -7.543 -9.534 1.00 0.00 C ATOM 850 O THR A 56 20.230 -7.013 -9.958 1.00 0.00 O ATOM 851 CB THR A 56 21.714 -8.735 -7.207 1.00 0.00 C ATOM 852 OG1 THR A 56 20.459 -8.936 -6.579 1.00 0.00 O ATOM 853 CG2 THR A 56 22.767 -8.676 -6.099 1.00 0.00 C ATOM 0 H THR A 56 20.144 -6.843 -6.824 1.00 0.00 H new ATOM 0 HA THR A 56 22.744 -7.196 -8.196 1.00 0.00 H new ATOM 0 HB THR A 56 21.950 -9.550 -7.891 1.00 0.00 H new ATOM 0 HG1 THR A 56 20.535 -9.656 -5.918 1.00 0.00 H new ATOM 0 HG21 THR A 56 22.740 -9.600 -5.522 1.00 0.00 H new ATOM 0 HG22 THR A 56 23.755 -8.553 -6.542 1.00 0.00 H new ATOM 0 HG23 THR A 56 22.557 -7.832 -5.442 1.00 0.00 H new ATOM 861 N ASP A 57 22.138 -8.166 -10.319 1.00 0.00 N ATOM 862 CA ASP A 57 22.139 -8.375 -11.754 1.00 0.00 C ATOM 863 C ASP A 57 20.827 -8.861 -12.358 1.00 0.00 C ATOM 864 O ASP A 57 20.132 -8.073 -13.005 1.00 0.00 O ATOM 865 CB ASP A 57 23.332 -9.283 -12.119 1.00 0.00 C ATOM 866 CG ASP A 57 23.336 -10.581 -11.315 1.00 0.00 C ATOM 867 OD1 ASP A 57 23.717 -10.537 -10.123 1.00 0.00 O ATOM 868 OD2 ASP A 57 22.846 -11.614 -11.815 1.00 0.00 O ATOM 0 H ASP A 57 22.968 -8.588 -9.903 1.00 0.00 H new ATOM 0 HA ASP A 57 22.253 -7.393 -12.213 1.00 0.00 H new ATOM 0 HB2 ASP A 57 23.296 -9.517 -13.183 1.00 0.00 H new ATOM 0 HB3 ASP A 57 24.263 -8.745 -11.942 1.00 0.00 H new ATOM 873 N ASP A 58 20.488 -10.128 -12.186 1.00 0.00 N ATOM 874 CA ASP A 58 19.319 -10.751 -12.786 1.00 0.00 C ATOM 875 C ASP A 58 18.134 -10.938 -11.865 1.00 0.00 C ATOM 876 O ASP A 58 17.017 -10.711 -12.307 1.00 0.00 O ATOM 877 CB ASP A 58 19.773 -12.136 -13.276 1.00 0.00 C ATOM 878 CG ASP A 58 18.625 -13.018 -13.764 1.00 0.00 C ATOM 879 OD1 ASP A 58 18.262 -12.921 -14.958 1.00 0.00 O ATOM 880 OD2 ASP A 58 18.163 -13.885 -12.987 1.00 0.00 O ATOM 0 H ASP A 58 21.033 -10.769 -11.610 1.00 0.00 H new ATOM 0 HA ASP A 58 18.966 -10.084 -13.573 1.00 0.00 H new ATOM 0 HB2 ASP A 58 20.492 -12.008 -14.086 1.00 0.00 H new ATOM 0 HB3 ASP A 58 20.293 -12.646 -12.466 1.00 0.00 H new ATOM 885 N VAL A 59 18.364 -11.255 -10.593 1.00 0.00 N ATOM 886 CA VAL A 59 17.327 -11.565 -9.622 1.00 0.00 C ATOM 887 C VAL A 59 16.328 -10.448 -9.313 1.00 0.00 C ATOM 888 O VAL A 59 16.545 -9.269 -9.598 1.00 0.00 O ATOM 889 CB VAL A 59 18.007 -12.051 -8.329 1.00 0.00 C ATOM 890 CG1 VAL A 59 18.942 -13.238 -8.568 1.00 0.00 C ATOM 891 CG2 VAL A 59 18.806 -10.932 -7.661 1.00 0.00 C ATOM 0 H VAL A 59 19.305 -11.304 -10.202 1.00 0.00 H new ATOM 0 HA VAL A 59 16.710 -12.337 -10.082 1.00 0.00 H new ATOM 0 HB VAL A 59 17.196 -12.369 -7.674 1.00 0.00 H new ATOM 0 HG11 VAL A 59 19.395 -13.540 -7.624 1.00 0.00 H new ATOM 0 HG12 VAL A 59 18.374 -14.071 -8.981 1.00 0.00 H new ATOM 0 HG13 VAL A 59 19.725 -12.949 -9.270 1.00 0.00 H new ATOM 0 HG21 VAL A 59 19.272 -11.311 -6.751 1.00 0.00 H new ATOM 0 HG22 VAL A 59 19.578 -10.578 -8.344 1.00 0.00 H new ATOM 0 HG23 VAL A 59 18.138 -10.108 -7.410 1.00 0.00 H new ATOM 901 N ARG A 60 15.240 -10.834 -8.638 1.00 0.00 N ATOM 902 CA ARG A 60 14.193 -9.950 -8.144 1.00 0.00 C ATOM 903 C ARG A 60 14.360 -9.881 -6.624 1.00 0.00 C ATOM 904 O ARG A 60 14.563 -10.913 -5.986 1.00 0.00 O ATOM 905 CB ARG A 60 12.812 -10.436 -8.637 1.00 0.00 C ATOM 906 CG ARG A 60 12.316 -11.775 -8.068 1.00 0.00 C ATOM 907 CD ARG A 60 11.424 -11.586 -6.840 1.00 0.00 C ATOM 908 NE ARG A 60 11.197 -12.857 -6.148 1.00 0.00 N ATOM 909 CZ ARG A 60 10.049 -13.316 -5.648 1.00 0.00 C ATOM 910 NH1 ARG A 60 8.881 -12.743 -5.899 1.00 0.00 N ATOM 911 NH2 ARG A 60 10.057 -14.379 -4.861 1.00 0.00 N ATOM 0 H ARG A 60 15.063 -11.813 -8.415 1.00 0.00 H new ATOM 0 HA ARG A 60 14.270 -8.934 -8.532 1.00 0.00 H new ATOM 0 HB2 ARG A 60 12.075 -9.669 -8.399 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.846 -10.518 -9.723 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.762 -12.312 -8.838 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.173 -12.394 -7.801 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.888 -10.875 -6.157 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.468 -11.159 -7.144 1.00 0.00 H new ATOM 0 HE ARG A 60 12.011 -13.461 -6.036 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.836 -11.917 -6.496 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.027 -13.128 -5.495 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.938 -14.843 -4.640 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.182 -14.735 -4.476 1.00 0.00 H new ATOM 925 N LEU A 61 14.285 -8.689 -6.031 1.00 0.00 N ATOM 926 CA LEU A 61 14.506 -8.414 -4.602 1.00 0.00 C ATOM 927 C LEU A 61 13.360 -7.536 -4.091 1.00 0.00 C ATOM 928 O LEU A 61 12.533 -7.074 -4.879 1.00 0.00 O ATOM 929 CB LEU A 61 15.907 -7.765 -4.452 1.00 0.00 C ATOM 930 CG LEU A 61 16.404 -7.321 -3.061 1.00 0.00 C ATOM 931 CD1 LEU A 61 16.670 -8.523 -2.153 1.00 0.00 C ATOM 932 CD2 LEU A 61 17.694 -6.507 -3.206 1.00 0.00 C ATOM 0 H LEU A 61 14.058 -7.844 -6.556 1.00 0.00 H new ATOM 0 HA LEU A 61 14.501 -9.319 -3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 61 16.636 -8.472 -4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.930 -6.889 -5.100 1.00 0.00 H new ATOM 0 HG LEU A 61 15.623 -6.710 -2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 61 17.019 -8.175 -1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 61 15.750 -9.093 -2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 61 17.431 -9.159 -2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 61 18.041 -6.196 -2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 61 18.459 -7.120 -3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.501 -5.626 -3.818 1.00 0.00 H new ATOM 944 N PHE A 62 13.262 -7.321 -2.786 1.00 0.00 N ATOM 945 CA PHE A 62 12.274 -6.435 -2.161 1.00 0.00 C ATOM 946 C PHE A 62 12.982 -5.605 -1.087 1.00 0.00 C ATOM 947 O PHE A 62 14.017 -6.042 -0.578 1.00 0.00 O ATOM 948 CB PHE A 62 11.150 -7.254 -1.502 1.00 0.00 C ATOM 949 CG PHE A 62 10.045 -7.818 -2.376 1.00 0.00 C ATOM 950 CD1 PHE A 62 10.305 -8.821 -3.327 1.00 0.00 C ATOM 951 CD2 PHE A 62 8.714 -7.438 -2.126 1.00 0.00 C ATOM 952 CE1 PHE A 62 9.243 -9.462 -3.989 1.00 0.00 C ATOM 953 CE2 PHE A 62 7.649 -8.087 -2.774 1.00 0.00 C ATOM 954 CZ PHE A 62 7.916 -9.120 -3.685 1.00 0.00 C ATOM 0 H PHE A 62 13.882 -7.767 -2.110 1.00 0.00 H new ATOM 0 HA PHE A 62 11.835 -5.792 -2.923 1.00 0.00 H new ATOM 0 HB2 PHE A 62 11.615 -8.089 -0.978 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.683 -6.623 -0.746 1.00 0.00 H new ATOM 0 HD1 PHE A 62 11.324 -9.100 -3.550 1.00 0.00 H new ATOM 0 HD2 PHE A 62 8.508 -6.639 -1.429 1.00 0.00 H new ATOM 0 HE1 PHE A 62 9.448 -10.218 -4.732 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.630 -7.792 -2.572 1.00 0.00 H new ATOM 0 HZ PHE A 62 7.101 -9.652 -4.152 1.00 0.00 H new ATOM 964 N ALA A 63 12.447 -4.437 -0.706 1.00 0.00 N ATOM 965 CA ALA A 63 13.015 -3.643 0.368 1.00 0.00 C ATOM 966 C ALA A 63 11.987 -2.778 1.068 1.00 0.00 C ATOM 967 O ALA A 63 11.232 -2.057 0.420 1.00 0.00 O ATOM 968 CB ALA A 63 14.125 -2.744 -0.174 1.00 0.00 C ATOM 0 H ALA A 63 11.617 -4.028 -1.135 1.00 0.00 H new ATOM 0 HA ALA A 63 13.411 -4.349 1.098 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.544 -2.153 0.640 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.908 -3.360 -0.616 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.715 -2.078 -0.933 1.00 0.00 H new ATOM 974 N PHE A 64 11.956 -2.849 2.393 1.00 0.00 N ATOM 975 CA PHE A 64 11.086 -1.997 3.197 1.00 0.00 C ATOM 976 C PHE A 64 11.914 -0.745 3.492 1.00 0.00 C ATOM 977 O PHE A 64 13.003 -0.857 4.061 1.00 0.00 O ATOM 978 CB PHE A 64 10.641 -2.741 4.461 1.00 0.00 C ATOM 979 CG PHE A 64 9.798 -1.897 5.394 1.00 0.00 C ATOM 980 CD1 PHE A 64 8.480 -1.553 5.045 1.00 0.00 C ATOM 981 CD2 PHE A 64 10.338 -1.422 6.600 1.00 0.00 C ATOM 982 CE1 PHE A 64 7.734 -0.679 5.859 1.00 0.00 C ATOM 983 CE2 PHE A 64 9.574 -0.584 7.432 1.00 0.00 C ATOM 984 CZ PHE A 64 8.291 -0.183 7.046 1.00 0.00 C ATOM 0 H PHE A 64 12.528 -3.494 2.938 1.00 0.00 H new ATOM 0 HA PHE A 64 10.162 -1.723 2.688 1.00 0.00 H new ATOM 0 HB2 PHE A 64 10.073 -3.625 4.172 1.00 0.00 H new ATOM 0 HB3 PHE A 64 11.524 -3.090 4.997 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.038 -1.961 4.148 1.00 0.00 H new ATOM 0 HD2 PHE A 64 11.341 -1.700 6.889 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.734 -0.391 5.569 1.00 0.00 H new ATOM 0 HE2 PHE A 64 9.981 -0.248 8.375 1.00 0.00 H new ATOM 0 HZ PHE A 64 7.731 0.507 7.660 1.00 0.00 H new ATOM 994 N VAL A 65 11.412 0.441 3.132 1.00 0.00 N ATOM 995 CA VAL A 65 12.154 1.692 3.273 1.00 0.00 C ATOM 996 C VAL A 65 11.233 2.813 3.778 1.00 0.00 C ATOM 997 O VAL A 65 10.030 2.804 3.475 1.00 0.00 O ATOM 998 CB VAL A 65 12.735 2.044 1.878 1.00 0.00 C ATOM 999 CG1 VAL A 65 13.632 3.285 1.913 1.00 0.00 C ATOM 1000 CG2 VAL A 65 13.528 0.868 1.279 1.00 0.00 C ATOM 0 H VAL A 65 10.480 0.557 2.735 1.00 0.00 H new ATOM 0 HA VAL A 65 12.956 1.582 4.003 1.00 0.00 H new ATOM 0 HB VAL A 65 11.873 2.258 1.246 1.00 0.00 H new ATOM 0 HG11 VAL A 65 14.012 3.487 0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 65 13.055 4.141 2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 65 14.468 3.111 2.590 1.00 0.00 H new ATOM 0 HG21 VAL A 65 13.919 1.153 0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.356 0.613 1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.872 0.005 1.169 1.00 0.00 H new ATOM 1010 N ARG A 66 11.780 3.786 4.525 1.00 0.00 N ATOM 1011 CA ARG A 66 11.054 4.964 4.996 1.00 0.00 C ATOM 1012 C ARG A 66 11.424 6.184 4.159 1.00 0.00 C ATOM 1013 O ARG A 66 12.558 6.312 3.690 1.00 0.00 O ATOM 1014 CB ARG A 66 11.310 5.194 6.491 1.00 0.00 C ATOM 1015 CG ARG A 66 10.357 6.278 7.036 1.00 0.00 C ATOM 1016 CD ARG A 66 10.322 6.401 8.561 1.00 0.00 C ATOM 1017 NE ARG A 66 11.323 7.347 9.066 1.00 0.00 N ATOM 1018 CZ ARG A 66 11.169 8.175 10.103 1.00 0.00 C ATOM 1019 NH1 ARG A 66 10.067 8.152 10.845 1.00 0.00 N ATOM 1020 NH2 ARG A 66 12.106 9.056 10.412 1.00 0.00 N ATOM 0 H ARG A 66 12.756 3.770 4.820 1.00 0.00 H new ATOM 0 HA ARG A 66 9.984 4.794 4.874 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.165 4.263 7.039 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.345 5.498 6.647 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.648 7.241 6.615 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.349 6.066 6.680 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.329 6.724 8.875 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.494 5.421 9.006 1.00 0.00 H new ATOM 0 HE ARG A 66 12.220 7.375 8.580 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.319 7.494 10.627 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.969 8.793 11.633 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.959 9.109 9.856 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.975 9.682 11.207 1.00 0.00 H new ATOM 1034 N PHE A 67 10.449 7.068 3.948 1.00 0.00 N ATOM 1035 CA PHE A 67 10.561 8.253 3.116 1.00 0.00 C ATOM 1036 C PHE A 67 9.918 9.464 3.806 1.00 0.00 C ATOM 1037 O PHE A 67 8.932 9.322 4.537 1.00 0.00 O ATOM 1038 CB PHE A 67 9.863 7.886 1.806 1.00 0.00 C ATOM 1039 CG PHE A 67 9.980 8.878 0.679 1.00 0.00 C ATOM 1040 CD1 PHE A 67 11.043 8.768 -0.237 1.00 0.00 C ATOM 1041 CD2 PHE A 67 8.954 9.811 0.461 1.00 0.00 C ATOM 1042 CE1 PHE A 67 11.084 9.596 -1.368 1.00 0.00 C ATOM 1043 CE2 PHE A 67 8.997 10.638 -0.670 1.00 0.00 C ATOM 1044 CZ PHE A 67 10.068 10.548 -1.575 1.00 0.00 C ATOM 0 H PHE A 67 9.526 6.969 4.371 1.00 0.00 H new ATOM 0 HA PHE A 67 11.596 8.543 2.936 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.263 6.932 1.463 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.805 7.732 2.016 1.00 0.00 H new ATOM 0 HD1 PHE A 67 11.828 8.045 -0.069 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.136 9.891 1.161 1.00 0.00 H new ATOM 0 HE1 PHE A 67 11.893 9.504 -2.078 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.203 11.348 -0.847 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.112 11.208 -2.428 1.00 0.00 H new ATOM 1054 N THR A 68 10.415 10.672 3.547 1.00 0.00 N ATOM 1055 CA THR A 68 9.854 11.918 4.057 1.00 0.00 C ATOM 1056 C THR A 68 8.943 12.468 2.955 1.00 0.00 C ATOM 1057 O THR A 68 9.372 12.606 1.810 1.00 0.00 O ATOM 1058 CB THR A 68 10.987 12.899 4.401 1.00 0.00 C ATOM 1059 OG1 THR A 68 12.091 12.232 4.996 1.00 0.00 O ATOM 1060 CG2 THR A 68 10.491 13.970 5.369 1.00 0.00 C ATOM 0 H THR A 68 11.239 10.813 2.962 1.00 0.00 H new ATOM 0 HA THR A 68 9.283 11.763 4.973 1.00 0.00 H new ATOM 0 HB THR A 68 11.308 13.357 3.465 1.00 0.00 H new ATOM 0 HG1 THR A 68 12.795 12.883 5.201 1.00 0.00 H new ATOM 0 HG21 THR A 68 11.306 14.656 5.602 1.00 0.00 H new ATOM 0 HG22 THR A 68 9.671 14.523 4.911 1.00 0.00 H new ATOM 0 HG23 THR A 68 10.141 13.497 6.287 1.00 0.00 H new ATOM 1128 N SER A 74 3.470 20.612 10.211 1.00 0.00 N ATOM 1129 CA SER A 74 3.793 19.416 10.955 1.00 0.00 C ATOM 1130 C SER A 74 4.381 18.489 9.883 1.00 0.00 C ATOM 1131 O SER A 74 3.789 18.359 8.803 1.00 0.00 O ATOM 1132 CB SER A 74 2.527 18.868 11.610 1.00 0.00 C ATOM 1133 OG SER A 74 2.042 19.805 12.555 1.00 0.00 O ATOM 0 HA SER A 74 4.494 19.558 11.777 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.768 18.673 10.853 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.740 17.918 12.100 1.00 0.00 H new ATOM 0 HG SER A 74 2.178 20.714 12.214 1.00 0.00 H new ATOM 1139 N LYS A 75 5.573 17.927 10.124 1.00 0.00 N ATOM 1140 CA LYS A 75 6.253 17.100 9.123 1.00 0.00 C ATOM 1141 C LYS A 75 5.476 15.825 8.801 1.00 0.00 C ATOM 1142 O LYS A 75 4.606 15.409 9.569 1.00 0.00 O ATOM 1143 CB LYS A 75 7.698 16.772 9.531 1.00 0.00 C ATOM 1144 CG LYS A 75 8.614 18.009 9.490 1.00 0.00 C ATOM 1145 CD LYS A 75 10.067 17.602 9.181 1.00 0.00 C ATOM 1146 CE LYS A 75 11.014 18.793 8.962 1.00 0.00 C ATOM 1147 NZ LYS A 75 10.586 19.647 7.831 1.00 0.00 N ATOM 0 H LYS A 75 6.083 18.030 11.001 1.00 0.00 H new ATOM 0 HA LYS A 75 6.293 17.698 8.212 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.702 16.353 10.537 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.096 16.006 8.865 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.258 18.706 8.732 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.573 18.530 10.447 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.447 16.995 10.003 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.077 16.974 8.290 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.058 19.392 9.871 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.022 18.424 8.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.342 20.323 7.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.389 19.051 7.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.725 20.168 8.095 1.00 0.00 H new ATOM 1161 N ARG A 76 5.800 15.181 7.675 1.00 0.00 N ATOM 1162 CA ARG A 76 5.119 13.993 7.178 1.00 0.00 C ATOM 1163 C ARG A 76 6.124 12.960 6.692 1.00 0.00 C ATOM 1164 O ARG A 76 7.215 13.266 6.215 1.00 0.00 O ATOM 1165 CB ARG A 76 4.160 14.369 6.041 1.00 0.00 C ATOM 1166 CG ARG A 76 3.058 15.345 6.480 1.00 0.00 C ATOM 1167 CD ARG A 76 2.091 15.580 5.318 1.00 0.00 C ATOM 1168 NE ARG A 76 0.989 16.484 5.683 1.00 0.00 N ATOM 1169 CZ ARG A 76 0.508 17.487 4.935 1.00 0.00 C ATOM 1170 NH1 ARG A 76 1.112 17.861 3.806 1.00 0.00 N ATOM 1171 NH2 ARG A 76 -0.599 18.113 5.336 1.00 0.00 N ATOM 0 H ARG A 76 6.565 15.484 7.072 1.00 0.00 H new ATOM 0 HA ARG A 76 4.546 13.559 7.997 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.730 14.816 5.226 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.699 13.463 5.648 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.521 14.941 7.338 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.499 16.290 6.796 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.637 15.999 4.473 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.681 14.625 4.990 1.00 0.00 H new ATOM 0 HE ARG A 76 0.550 16.333 6.591 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.957 17.381 3.497 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.729 18.627 3.252 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.063 17.826 6.198 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.981 18.879 4.781 1.00 0.00 H new ATOM 1185 N SER A 77 5.707 11.704 6.725 1.00 0.00 N ATOM 1186 CA SER A 77 6.474 10.568 6.256 1.00 0.00 C ATOM 1187 C SER A 77 5.497 9.560 5.667 1.00 0.00 C ATOM 1188 O SER A 77 4.295 9.605 5.941 1.00 0.00 O ATOM 1189 CB SER A 77 7.270 9.980 7.437 1.00 0.00 C ATOM 1190 OG SER A 77 8.053 8.857 7.079 1.00 0.00 O ATOM 0 H SER A 77 4.792 11.442 7.093 1.00 0.00 H new ATOM 0 HA SER A 77 7.191 10.852 5.486 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.921 10.752 7.848 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.576 9.694 8.227 1.00 0.00 H new ATOM 0 HG SER A 77 8.328 8.935 6.142 1.00 0.00 H new ATOM 1196 N LYS A 78 6.031 8.672 4.835 1.00 0.00 N ATOM 1197 CA LYS A 78 5.360 7.546 4.206 1.00 0.00 C ATOM 1198 C LYS A 78 6.410 6.444 4.158 1.00 0.00 C ATOM 1199 O LYS A 78 7.603 6.684 4.355 1.00 0.00 O ATOM 1200 CB LYS A 78 4.831 7.881 2.793 1.00 0.00 C ATOM 1201 CG LYS A 78 3.512 8.673 2.830 1.00 0.00 C ATOM 1202 CD LYS A 78 3.031 9.123 1.440 1.00 0.00 C ATOM 1203 CE LYS A 78 2.372 7.971 0.671 1.00 0.00 C ATOM 1204 NZ LYS A 78 1.864 8.384 -0.653 1.00 0.00 N ATOM 0 H LYS A 78 7.013 8.726 4.565 1.00 0.00 H new ATOM 0 HA LYS A 78 4.474 7.253 4.768 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.583 8.458 2.255 1.00 0.00 H new ATOM 0 HB3 LYS A 78 4.680 6.956 2.236 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.740 8.058 3.292 1.00 0.00 H new ATOM 0 HG3 LYS A 78 3.641 9.551 3.463 1.00 0.00 H new ATOM 0 HD2 LYS A 78 2.321 9.943 1.548 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.876 9.507 0.868 1.00 0.00 H new ATOM 0 HE2 LYS A 78 3.095 7.165 0.543 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.549 7.570 1.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.429 7.567 -1.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.153 9.134 -0.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.651 8.742 -1.231 1.00 0.00 H new ATOM 1218 N PHE A 79 5.969 5.237 3.849 1.00 0.00 N ATOM 1219 CA PHE A 79 6.846 4.095 3.678 1.00 0.00 C ATOM 1220 C PHE A 79 6.604 3.598 2.265 1.00 0.00 C ATOM 1221 O PHE A 79 5.464 3.633 1.779 1.00 0.00 O ATOM 1222 CB PHE A 79 6.580 3.044 4.760 1.00 0.00 C ATOM 1223 CG PHE A 79 6.814 3.544 6.172 1.00 0.00 C ATOM 1224 CD1 PHE A 79 5.807 4.253 6.854 1.00 0.00 C ATOM 1225 CD2 PHE A 79 8.057 3.327 6.795 1.00 0.00 C ATOM 1226 CE1 PHE A 79 6.048 4.766 8.140 1.00 0.00 C ATOM 1227 CE2 PHE A 79 8.284 3.811 8.093 1.00 0.00 C ATOM 1228 CZ PHE A 79 7.287 4.539 8.766 1.00 0.00 C ATOM 0 H PHE A 79 4.982 5.022 3.709 1.00 0.00 H new ATOM 0 HA PHE A 79 7.899 4.349 3.798 1.00 0.00 H new ATOM 0 HB2 PHE A 79 5.549 2.700 4.673 1.00 0.00 H new ATOM 0 HB3 PHE A 79 7.221 2.181 4.580 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.845 4.403 6.387 1.00 0.00 H new ATOM 0 HD2 PHE A 79 8.836 2.789 6.275 1.00 0.00 H new ATOM 0 HE1 PHE A 79 5.282 5.334 8.647 1.00 0.00 H new ATOM 0 HE2 PHE A 79 9.231 3.623 8.578 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.472 4.922 9.759 1.00 0.00 H new ATOM 1238 N ALA A 80 7.679 3.213 1.593 1.00 0.00 N ATOM 1239 CA ALA A 80 7.701 2.776 0.213 1.00 0.00 C ATOM 1240 C ALA A 80 8.331 1.395 0.253 1.00 0.00 C ATOM 1241 O ALA A 80 9.451 1.229 0.739 1.00 0.00 O ATOM 1242 CB ALA A 80 8.476 3.813 -0.627 1.00 0.00 C ATOM 0 H ALA A 80 8.605 3.198 2.021 1.00 0.00 H new ATOM 0 HA ALA A 80 6.721 2.706 -0.260 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.499 3.494 -1.669 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.982 4.782 -0.555 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.496 3.897 -0.251 1.00 0.00 H new ATOM 1248 N LEU A 81 7.541 0.379 -0.089 1.00 0.00 N ATOM 1249 CA LEU A 81 8.041 -0.982 -0.183 1.00 0.00 C ATOM 1250 C LEU A 81 8.511 -1.071 -1.621 1.00 0.00 C ATOM 1251 O LEU A 81 7.714 -0.955 -2.546 1.00 0.00 O ATOM 1252 CB LEU A 81 6.931 -1.977 0.198 1.00 0.00 C ATOM 1253 CG LEU A 81 7.237 -3.484 0.048 1.00 0.00 C ATOM 1254 CD1 LEU A 81 6.923 -4.027 -1.348 1.00 0.00 C ATOM 1255 CD2 LEU A 81 8.642 -3.913 0.472 1.00 0.00 C ATOM 0 H LEU A 81 6.549 0.478 -0.305 1.00 0.00 H new ATOM 0 HA LEU A 81 8.853 -1.230 0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.656 -1.792 1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.054 -1.750 -0.409 1.00 0.00 H new ATOM 0 HG LEU A 81 6.551 -3.937 0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.160 -5.090 -1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.864 -3.883 -1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.520 -3.495 -2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.754 -4.988 0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.381 -3.387 -0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.795 -3.671 1.524 1.00 0.00 H new ATOM 1267 N ILE A 82 9.807 -1.207 -1.818 1.00 0.00 N ATOM 1268 CA ILE A 82 10.404 -1.283 -3.135 1.00 0.00 C ATOM 1269 C ILE A 82 10.398 -2.741 -3.520 1.00 0.00 C ATOM 1270 O ILE A 82 10.651 -3.621 -2.696 1.00 0.00 O ATOM 1271 CB ILE A 82 11.837 -0.698 -3.127 1.00 0.00 C ATOM 1272 CG1 ILE A 82 11.766 0.846 -3.114 1.00 0.00 C ATOM 1273 CG2 ILE A 82 12.724 -1.178 -4.293 1.00 0.00 C ATOM 1274 CD1 ILE A 82 12.105 1.369 -1.724 1.00 0.00 C ATOM 0 H ILE A 82 10.484 -1.269 -1.057 1.00 0.00 H new ATOM 0 HA ILE A 82 9.844 -0.693 -3.860 1.00 0.00 H new ATOM 0 HB ILE A 82 12.314 -1.071 -2.221 1.00 0.00 H new ATOM 0 HG12 ILE A 82 12.461 1.257 -3.846 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.768 1.175 -3.402 1.00 0.00 H new ATOM 0 HG21 ILE A 82 13.710 -0.721 -4.212 1.00 0.00 H new ATOM 0 HG22 ILE A 82 12.822 -2.263 -4.253 1.00 0.00 H new ATOM 0 HG23 ILE A 82 12.267 -0.890 -5.240 1.00 0.00 H new ATOM 0 HD11 ILE A 82 12.053 2.458 -1.722 1.00 0.00 H new ATOM 0 HD12 ILE A 82 11.393 0.971 -1.002 1.00 0.00 H new ATOM 0 HD13 ILE A 82 13.112 1.053 -1.452 1.00 0.00 H new ATOM 1286 N THR A 83 10.104 -2.988 -4.784 1.00 0.00 N ATOM 1287 CA THR A 83 10.154 -4.312 -5.336 1.00 0.00 C ATOM 1288 C THR A 83 11.070 -4.126 -6.538 1.00 0.00 C ATOM 1289 O THR A 83 10.802 -3.292 -7.405 1.00 0.00 O ATOM 1290 CB THR A 83 8.737 -4.769 -5.695 1.00 0.00 C ATOM 1291 OG1 THR A 83 7.781 -4.349 -4.736 1.00 0.00 O ATOM 1292 CG2 THR A 83 8.692 -6.295 -5.737 1.00 0.00 C ATOM 0 H THR A 83 9.824 -2.268 -5.451 1.00 0.00 H new ATOM 0 HA THR A 83 10.528 -5.090 -4.670 1.00 0.00 H new ATOM 0 HB THR A 83 8.495 -4.326 -6.661 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.587 -3.397 -4.863 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.684 -6.622 -5.992 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.393 -6.659 -6.488 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.967 -6.694 -4.761 1.00 0.00 H new ATOM 1300 N TRP A 84 12.149 -4.891 -6.578 1.00 0.00 N ATOM 1301 CA TRP A 84 13.150 -4.862 -7.619 1.00 0.00 C ATOM 1302 C TRP A 84 12.849 -6.061 -8.505 1.00 0.00 C ATOM 1303 O TRP A 84 12.756 -7.181 -7.998 1.00 0.00 O ATOM 1304 CB TRP A 84 14.541 -4.959 -6.975 1.00 0.00 C ATOM 1305 CG TRP A 84 15.613 -5.268 -7.964 1.00 0.00 C ATOM 1306 CD1 TRP A 84 16.294 -6.431 -8.088 1.00 0.00 C ATOM 1307 CD2 TRP A 84 15.997 -4.461 -9.105 1.00 0.00 C ATOM 1308 NE1 TRP A 84 17.025 -6.412 -9.258 1.00 0.00 N ATOM 1309 CE2 TRP A 84 16.797 -5.256 -9.973 1.00 0.00 C ATOM 1310 CE3 TRP A 84 15.673 -3.158 -9.524 1.00 0.00 C ATOM 1311 CZ2 TRP A 84 17.144 -4.824 -11.258 1.00 0.00 C ATOM 1312 CZ3 TRP A 84 16.065 -2.697 -10.788 1.00 0.00 C ATOM 1313 CH2 TRP A 84 16.742 -3.546 -11.677 1.00 0.00 C ATOM 0 H TRP A 84 12.355 -5.577 -5.852 1.00 0.00 H new ATOM 0 HA TRP A 84 13.134 -3.944 -8.206 1.00 0.00 H new ATOM 0 HB2 TRP A 84 14.773 -4.018 -6.477 1.00 0.00 H new ATOM 0 HB3 TRP A 84 14.528 -5.732 -6.206 1.00 0.00 H new ATOM 0 HD1 TRP A 84 16.269 -7.247 -7.381 1.00 0.00 H new ATOM 0 HE1 TRP A 84 17.654 -7.158 -9.556 1.00 0.00 H new ATOM 0 HE3 TRP A 84 15.117 -2.507 -8.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 17.712 -5.464 -11.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 15.844 -1.681 -11.080 1.00 0.00 H new ATOM 0 HH2 TRP A 84 16.954 -3.216 -12.683 1.00 0.00 H new ATOM 1324 N ILE A 85 12.645 -5.844 -9.800 1.00 0.00 N ATOM 1325 CA ILE A 85 12.312 -6.874 -10.771 1.00 0.00 C ATOM 1326 C ILE A 85 13.060 -6.503 -12.053 1.00 0.00 C ATOM 1327 O ILE A 85 12.452 -5.925 -12.954 1.00 0.00 O ATOM 1328 CB ILE A 85 10.788 -6.994 -10.994 1.00 0.00 C ATOM 1329 CG1 ILE A 85 10.016 -7.101 -9.667 1.00 0.00 C ATOM 1330 CG2 ILE A 85 10.506 -8.230 -11.877 1.00 0.00 C ATOM 1331 CD1 ILE A 85 8.519 -7.259 -9.881 1.00 0.00 C ATOM 0 H ILE A 85 12.710 -4.914 -10.214 1.00 0.00 H new ATOM 0 HA ILE A 85 12.615 -7.859 -10.416 1.00 0.00 H new ATOM 0 HB ILE A 85 10.442 -6.088 -11.492 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.391 -7.952 -9.099 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.203 -6.210 -9.068 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.432 -8.323 -12.040 1.00 0.00 H new ATOM 0 HG22 ILE A 85 11.010 -8.114 -12.836 1.00 0.00 H new ATOM 0 HG23 ILE A 85 10.876 -9.126 -11.378 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.019 -7.330 -8.915 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.136 -6.396 -10.425 1.00 0.00 H new ATOM 0 HD13 ILE A 85 8.327 -8.165 -10.456 1.00 0.00 H new ATOM 1343 N GLY A 86 14.368 -6.778 -12.134 1.00 0.00 N ATOM 1344 CA GLY A 86 15.125 -6.532 -13.363 1.00 0.00 C ATOM 1345 C GLY A 86 14.411 -7.221 -14.528 1.00 0.00 C ATOM 1346 O GLY A 86 13.776 -8.253 -14.321 1.00 0.00 O ATOM 0 H GLY A 86 14.918 -7.168 -11.369 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.204 -5.461 -13.549 1.00 0.00 H new ATOM 0 HA3 GLY A 86 16.141 -6.914 -13.264 1.00 0.00 H new ATOM 1350 N GLU A 87 14.490 -6.718 -15.762 1.00 0.00 N ATOM 1351 CA GLU A 87 13.723 -7.342 -16.849 1.00 0.00 C ATOM 1352 C GLU A 87 14.233 -8.749 -17.215 1.00 0.00 C ATOM 1353 O GLU A 87 13.533 -9.496 -17.904 1.00 0.00 O ATOM 1354 CB GLU A 87 13.618 -6.395 -18.058 1.00 0.00 C ATOM 1355 CG GLU A 87 12.676 -6.958 -19.147 1.00 0.00 C ATOM 1356 CD GLU A 87 12.065 -5.906 -20.072 1.00 0.00 C ATOM 1357 OE1 GLU A 87 12.652 -4.814 -20.244 1.00 0.00 O ATOM 1358 OE2 GLU A 87 10.958 -6.152 -20.607 1.00 0.00 O ATOM 0 H GLU A 87 15.054 -5.911 -16.031 1.00 0.00 H new ATOM 0 HA GLU A 87 12.709 -7.506 -16.483 1.00 0.00 H new ATOM 0 HB2 GLU A 87 13.252 -5.423 -17.728 1.00 0.00 H new ATOM 0 HB3 GLU A 87 14.609 -6.235 -18.482 1.00 0.00 H new ATOM 0 HG2 GLU A 87 13.231 -7.675 -19.752 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.869 -7.507 -18.661 1.00 0.00 H new ATOM 1365 N ASN A 88 15.396 -9.172 -16.709 1.00 0.00 N ATOM 1366 CA ASN A 88 15.969 -10.458 -17.102 1.00 0.00 C ATOM 1367 C ASN A 88 15.402 -11.634 -16.314 1.00 0.00 C ATOM 1368 O ASN A 88 15.188 -12.675 -16.932 1.00 0.00 O ATOM 1369 CB ASN A 88 17.492 -10.413 -17.012 1.00 0.00 C ATOM 1370 CG ASN A 88 18.090 -9.739 -18.237 1.00 0.00 C ATOM 1371 OD1 ASN A 88 17.576 -8.738 -18.740 1.00 0.00 O ATOM 1372 ND2 ASN A 88 19.169 -10.281 -18.766 1.00 0.00 N ATOM 0 H ASN A 88 15.952 -8.647 -16.034 1.00 0.00 H new ATOM 0 HA ASN A 88 15.682 -10.628 -18.140 1.00 0.00 H new ATOM 0 HB2 ASN A 88 17.791 -9.874 -16.113 1.00 0.00 H new ATOM 0 HB3 ASN A 88 17.885 -11.426 -16.921 1.00 0.00 H new ATOM 0 HD21 ASN A 88 19.588 -9.872 -19.601 1.00 0.00 H new ATOM 0 HD22 ASN A 88 19.585 -11.109 -18.340 1.00 0.00 H new ATOM 1379 N VAL A 89 15.098 -11.496 -15.018 1.00 0.00 N ATOM 1380 CA VAL A 89 14.467 -12.547 -14.232 1.00 0.00 C ATOM 1381 C VAL A 89 13.192 -13.029 -14.928 1.00 0.00 C ATOM 1382 O VAL A 89 12.388 -12.219 -15.408 1.00 0.00 O ATOM 1383 CB VAL A 89 14.338 -12.107 -12.759 1.00 0.00 C ATOM 1384 CG1 VAL A 89 13.985 -10.635 -12.523 1.00 0.00 C ATOM 1385 CG2 VAL A 89 13.307 -12.927 -11.980 1.00 0.00 C ATOM 0 H VAL A 89 15.286 -10.645 -14.488 1.00 0.00 H new ATOM 0 HA VAL A 89 15.090 -13.440 -14.181 1.00 0.00 H new ATOM 0 HB VAL A 89 15.352 -12.280 -12.398 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.922 -10.443 -11.452 1.00 0.00 H new ATOM 0 HG12 VAL A 89 14.757 -10.001 -12.960 1.00 0.00 H new ATOM 0 HG13 VAL A 89 13.025 -10.412 -12.989 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.261 -12.571 -10.951 1.00 0.00 H new ATOM 0 HG22 VAL A 89 12.328 -12.817 -12.446 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.597 -13.978 -11.988 1.00 0.00 H new ATOM 1395 N SER A 90 13.040 -14.352 -15.001 1.00 0.00 N ATOM 1396 CA SER A 90 11.954 -15.010 -15.696 1.00 0.00 C ATOM 1397 C SER A 90 10.578 -14.612 -15.167 1.00 0.00 C ATOM 1398 O SER A 90 10.380 -14.243 -14.001 1.00 0.00 O ATOM 1399 CB SER A 90 12.165 -16.535 -15.667 1.00 0.00 C ATOM 1400 OG SER A 90 11.056 -17.242 -16.204 1.00 0.00 O ATOM 0 H SER A 90 13.691 -15.005 -14.564 1.00 0.00 H new ATOM 0 HA SER A 90 11.971 -14.673 -16.732 1.00 0.00 H new ATOM 0 HB2 SER A 90 13.062 -16.786 -16.233 1.00 0.00 H new ATOM 0 HB3 SER A 90 12.335 -16.857 -14.640 1.00 0.00 H new ATOM 0 HG SER A 90 11.233 -18.205 -16.168 1.00 0.00 H new ATOM 1406 N GLY A 91 9.601 -14.787 -16.060 1.00 0.00 N ATOM 1407 CA GLY A 91 8.187 -14.588 -15.823 1.00 0.00 C ATOM 1408 C GLY A 91 7.681 -15.458 -14.673 1.00 0.00 C ATOM 1409 O GLY A 91 6.567 -15.233 -14.197 1.00 0.00 O ATOM 0 H GLY A 91 9.795 -15.087 -17.015 1.00 0.00 H new ATOM 0 HA2 GLY A 91 8.000 -13.539 -15.596 1.00 0.00 H new ATOM 0 HA3 GLY A 91 7.629 -14.822 -16.730 1.00 0.00 H new ATOM 1413 N LEU A 92 8.462 -16.453 -14.236 1.00 0.00 N ATOM 1414 CA LEU A 92 8.189 -17.321 -13.104 1.00 0.00 C ATOM 1415 C LEU A 92 8.355 -16.561 -11.792 1.00 0.00 C ATOM 1416 O LEU A 92 7.393 -16.445 -11.035 1.00 0.00 O ATOM 1417 CB LEU A 92 9.120 -18.538 -13.170 1.00 0.00 C ATOM 1418 CG LEU A 92 8.864 -19.543 -12.033 1.00 0.00 C ATOM 1419 CD1 LEU A 92 7.447 -20.130 -12.092 1.00 0.00 C ATOM 1420 CD2 LEU A 92 9.882 -20.670 -12.157 1.00 0.00 C ATOM 0 H LEU A 92 9.346 -16.679 -14.692 1.00 0.00 H new ATOM 0 HA LEU A 92 7.156 -17.667 -13.147 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.989 -19.039 -14.129 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.156 -18.201 -13.125 1.00 0.00 H new ATOM 0 HG LEU A 92 8.962 -19.023 -11.080 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.310 -20.834 -11.271 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.716 -19.326 -12.006 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.307 -20.648 -13.041 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.720 -21.396 -11.360 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.766 -21.160 -13.124 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.889 -20.261 -12.076 1.00 0.00 H new ATOM 1432 N GLN A 93 9.550 -16.046 -11.493 1.00 0.00 N ATOM 1433 CA GLN A 93 9.775 -15.295 -10.259 1.00 0.00 C ATOM 1434 C GLN A 93 9.011 -13.974 -10.342 1.00 0.00 C ATOM 1435 O GLN A 93 8.493 -13.512 -9.324 1.00 0.00 O ATOM 1436 CB GLN A 93 11.260 -15.053 -9.963 1.00 0.00 C ATOM 1437 CG GLN A 93 12.150 -16.308 -9.939 1.00 0.00 C ATOM 1438 CD GLN A 93 12.424 -16.902 -11.322 1.00 0.00 C ATOM 1439 OE1 GLN A 93 12.244 -16.258 -12.345 1.00 0.00 O ATOM 1440 NE2 GLN A 93 12.829 -18.153 -11.392 1.00 0.00 N ATOM 0 H GLN A 93 10.374 -16.136 -12.088 1.00 0.00 H new ATOM 0 HA GLN A 93 9.404 -15.894 -9.428 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.653 -14.366 -10.712 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.342 -14.554 -8.998 1.00 0.00 H new ATOM 0 HG2 GLN A 93 13.100 -16.058 -9.467 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.675 -17.066 -9.317 1.00 0.00 H new ATOM 0 HE21 GLN A 93 12.979 -18.689 -10.537 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.993 -18.586 -12.301 1.00 0.00 H new ATOM 1449 N ARG A 94 8.896 -13.370 -11.537 1.00 0.00 N ATOM 1450 CA ARG A 94 8.090 -12.161 -11.686 1.00 0.00 C ATOM 1451 C ARG A 94 6.648 -12.513 -11.291 1.00 0.00 C ATOM 1452 O ARG A 94 6.034 -11.754 -10.543 1.00 0.00 O ATOM 1453 CB ARG A 94 8.197 -11.589 -13.115 1.00 0.00 C ATOM 1454 CG ARG A 94 7.308 -10.347 -13.337 1.00 0.00 C ATOM 1455 CD ARG A 94 7.304 -9.815 -14.781 1.00 0.00 C ATOM 1456 NE ARG A 94 8.577 -9.192 -15.183 1.00 0.00 N ATOM 1457 CZ ARG A 94 8.749 -8.252 -16.122 1.00 0.00 C ATOM 1458 NH1 ARG A 94 7.726 -7.704 -16.765 1.00 0.00 N ATOM 1459 NH2 ARG A 94 9.970 -7.851 -16.432 1.00 0.00 N ATOM 0 H ARG A 94 9.343 -13.696 -12.394 1.00 0.00 H new ATOM 0 HA ARG A 94 8.456 -11.370 -11.032 1.00 0.00 H new ATOM 0 HB2 ARG A 94 9.235 -11.327 -13.318 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.917 -12.362 -13.831 1.00 0.00 H new ATOM 0 HG2 ARG A 94 6.285 -10.592 -13.051 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.644 -9.552 -12.671 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.080 -10.637 -15.461 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.502 -9.085 -14.888 1.00 0.00 H new ATOM 0 HE ARG A 94 9.415 -9.509 -14.696 1.00 0.00 H new ATOM 0 HH11 ARG A 94 6.773 -7.996 -16.550 1.00 0.00 H new ATOM 0 HH12 ARG A 94 7.893 -6.991 -17.475 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.776 -8.257 -15.957 1.00 0.00 H new ATOM 0 HH22 ARG A 94 10.106 -7.136 -17.146 1.00 0.00 H new ATOM 1473 N ALA A 95 6.122 -13.673 -11.715 1.00 0.00 N ATOM 1474 CA ALA A 95 4.789 -14.096 -11.309 1.00 0.00 C ATOM 1475 C ALA A 95 4.717 -14.366 -9.804 1.00 0.00 C ATOM 1476 O ALA A 95 3.687 -14.047 -9.205 1.00 0.00 O ATOM 1477 CB ALA A 95 4.326 -15.325 -12.096 1.00 0.00 C ATOM 0 H ALA A 95 6.602 -14.325 -12.335 1.00 0.00 H new ATOM 0 HA ALA A 95 4.112 -13.272 -11.537 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.328 -15.613 -11.767 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.303 -15.089 -13.160 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.017 -16.150 -11.922 1.00 0.00 H new ATOM 1483 N LYS A 96 5.767 -14.915 -9.170 1.00 0.00 N ATOM 1484 CA LYS A 96 5.765 -15.118 -7.717 1.00 0.00 C ATOM 1485 C LYS A 96 5.500 -13.807 -6.994 1.00 0.00 C ATOM 1486 O LYS A 96 4.753 -13.824 -6.023 1.00 0.00 O ATOM 1487 CB LYS A 96 7.069 -15.703 -7.157 1.00 0.00 C ATOM 1488 CG LYS A 96 7.274 -17.213 -7.312 1.00 0.00 C ATOM 1489 CD LYS A 96 8.338 -17.644 -6.290 1.00 0.00 C ATOM 1490 CE LYS A 96 8.848 -19.078 -6.428 1.00 0.00 C ATOM 1491 NZ LYS A 96 7.792 -20.104 -6.364 1.00 0.00 N ATOM 0 H LYS A 96 6.619 -15.223 -9.638 1.00 0.00 H new ATOM 0 HA LYS A 96 4.972 -15.844 -7.541 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.904 -15.196 -7.641 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.121 -15.461 -6.096 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.339 -17.746 -7.140 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.596 -17.454 -8.325 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.188 -16.966 -6.371 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.925 -17.520 -5.289 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.375 -19.174 -7.377 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.575 -19.271 -5.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.218 -21.047 -6.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.302 -20.042 -5.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.109 -19.948 -7.133 1.00 0.00 H new ATOM 1505 N THR A 97 6.034 -12.674 -7.459 1.00 0.00 N ATOM 1506 CA THR A 97 5.784 -11.384 -6.826 1.00 0.00 C ATOM 1507 C THR A 97 4.273 -11.127 -6.708 1.00 0.00 C ATOM 1508 O THR A 97 3.819 -10.601 -5.691 1.00 0.00 O ATOM 1509 CB THR A 97 6.537 -10.280 -7.587 1.00 0.00 C ATOM 1510 OG1 THR A 97 7.928 -10.537 -7.488 1.00 0.00 O ATOM 1511 CG2 THR A 97 6.252 -8.886 -7.030 1.00 0.00 C ATOM 0 H THR A 97 6.644 -12.628 -8.275 1.00 0.00 H new ATOM 0 HA THR A 97 6.169 -11.385 -5.806 1.00 0.00 H new ATOM 0 HB THR A 97 6.197 -10.295 -8.623 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.282 -10.116 -6.677 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.808 -8.144 -7.603 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.185 -8.676 -7.104 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.559 -8.842 -5.985 1.00 0.00 H new ATOM 1519 N GLY A 98 3.464 -11.575 -7.670 1.00 0.00 N ATOM 1520 CA GLY A 98 2.019 -11.410 -7.588 1.00 0.00 C ATOM 1521 C GLY A 98 1.377 -12.175 -6.433 1.00 0.00 C ATOM 1522 O GLY A 98 0.333 -11.761 -5.930 1.00 0.00 O ATOM 0 H GLY A 98 3.788 -12.053 -8.511 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.789 -10.350 -7.482 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.571 -11.741 -8.525 1.00 0.00 H new ATOM 1526 N THR A 99 1.996 -13.254 -5.975 1.00 0.00 N ATOM 1527 CA THR A 99 1.562 -14.103 -4.868 1.00 0.00 C ATOM 1528 C THR A 99 2.318 -13.747 -3.574 1.00 0.00 C ATOM 1529 O THR A 99 1.850 -14.057 -2.477 1.00 0.00 O ATOM 1530 CB THR A 99 1.840 -15.562 -5.288 1.00 0.00 C ATOM 1531 OG1 THR A 99 1.387 -15.781 -6.614 1.00 0.00 O ATOM 1532 CG2 THR A 99 1.177 -16.610 -4.391 1.00 0.00 C ATOM 0 H THR A 99 2.868 -13.582 -6.390 1.00 0.00 H new ATOM 0 HA THR A 99 0.502 -13.957 -4.660 1.00 0.00 H new ATOM 0 HB THR A 99 2.919 -15.685 -5.199 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.569 -16.709 -6.873 1.00 0.00 H new ATOM 0 HG21 THR A 99 1.422 -17.608 -4.755 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.540 -16.497 -3.370 1.00 0.00 H new ATOM 0 HG23 THR A 99 0.096 -16.473 -4.409 1.00 0.00 H new ATOM 1540 N ASP A 100 3.396 -12.970 -3.686 1.00 0.00 N ATOM 1541 CA ASP A 100 4.282 -12.624 -2.588 1.00 0.00 C ATOM 1542 C ASP A 100 4.093 -11.216 -2.046 1.00 0.00 C ATOM 1543 O ASP A 100 4.443 -10.977 -0.895 1.00 0.00 O ATOM 1544 CB ASP A 100 5.734 -12.681 -3.065 1.00 0.00 C ATOM 1545 CG ASP A 100 6.279 -14.061 -3.425 1.00 0.00 C ATOM 1546 OD1 ASP A 100 5.732 -15.088 -2.965 1.00 0.00 O ATOM 1547 OD2 ASP A 100 7.325 -14.113 -4.110 1.00 0.00 O ATOM 0 H ASP A 100 3.680 -12.554 -4.573 1.00 0.00 H new ATOM 0 HA ASP A 100 4.045 -13.342 -1.803 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.832 -12.037 -3.939 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.366 -12.257 -2.285 1.00 0.00 H new ATOM 1552 N LYS A 101 3.564 -10.252 -2.805 1.00 0.00 N ATOM 1553 CA LYS A 101 3.425 -8.898 -2.251 1.00 0.00 C ATOM 1554 C LYS A 101 2.547 -8.900 -1.017 1.00 0.00 C ATOM 1555 O LYS A 101 2.873 -8.221 -0.050 1.00 0.00 O ATOM 1556 CB LYS A 101 2.861 -7.923 -3.281 1.00 0.00 C ATOM 1557 CG LYS A 101 3.898 -7.566 -4.346 1.00 0.00 C ATOM 1558 CD LYS A 101 3.295 -6.779 -5.510 1.00 0.00 C ATOM 1559 CE LYS A 101 2.147 -7.470 -6.255 1.00 0.00 C ATOM 1560 NZ LYS A 101 1.623 -6.596 -7.321 1.00 0.00 N ATOM 0 H LYS A 101 3.237 -10.371 -3.764 1.00 0.00 H new ATOM 0 HA LYS A 101 4.425 -8.566 -1.974 1.00 0.00 H new ATOM 0 HB2 LYS A 101 1.986 -8.363 -3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 101 2.527 -7.015 -2.779 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.696 -6.980 -3.890 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.353 -8.481 -4.727 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.934 -5.823 -5.130 1.00 0.00 H new ATOM 0 HD3 LYS A 101 4.088 -6.559 -6.225 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.497 -8.408 -6.685 1.00 0.00 H new ATOM 0 HE3 LYS A 101 1.349 -7.719 -5.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 0.846 -7.079 -7.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.270 -5.712 -6.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.383 -6.380 -7.998 1.00 0.00 H new ATOM 1574 N THR A 102 1.466 -9.676 -1.019 1.00 0.00 N ATOM 1575 CA THR A 102 0.619 -9.758 0.152 1.00 0.00 C ATOM 1576 C THR A 102 1.393 -10.335 1.342 1.00 0.00 C ATOM 1577 O THR A 102 1.094 -9.970 2.464 1.00 0.00 O ATOM 1578 CB THR A 102 -0.630 -10.569 -0.186 1.00 0.00 C ATOM 1579 OG1 THR A 102 -1.694 -10.310 0.706 1.00 0.00 O ATOM 1580 CG2 THR A 102 -0.349 -12.065 -0.244 1.00 0.00 C ATOM 0 H THR A 102 1.165 -10.246 -1.809 1.00 0.00 H new ATOM 0 HA THR A 102 0.299 -8.759 0.450 1.00 0.00 H new ATOM 0 HB THR A 102 -0.934 -10.242 -1.180 1.00 0.00 H new ATOM 0 HG1 THR A 102 -2.472 -10.848 0.452 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.268 -12.599 -0.488 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.401 -12.265 -1.010 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.021 -12.403 0.724 1.00 0.00 H new ATOM 1588 N LEU A 103 2.368 -11.219 1.123 1.00 0.00 N ATOM 1589 CA LEU A 103 3.114 -11.883 2.186 1.00 0.00 C ATOM 1590 C LEU A 103 3.875 -10.851 2.993 1.00 0.00 C ATOM 1591 O LEU A 103 3.613 -10.660 4.176 1.00 0.00 O ATOM 1592 CB LEU A 103 4.069 -12.919 1.594 1.00 0.00 C ATOM 1593 CG LEU A 103 3.390 -14.178 1.044 1.00 0.00 C ATOM 1594 CD1 LEU A 103 4.464 -15.231 0.808 1.00 0.00 C ATOM 1595 CD2 LEU A 103 2.292 -14.787 1.924 1.00 0.00 C ATOM 0 H LEU A 103 2.664 -11.496 0.187 1.00 0.00 H new ATOM 0 HA LEU A 103 2.418 -12.401 2.846 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.639 -12.451 0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 103 4.784 -13.215 2.362 1.00 0.00 H new ATOM 0 HG LEU A 103 2.883 -13.864 0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.004 -16.138 0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.192 -14.854 0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.966 -15.456 1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.883 -15.672 1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.713 -15.067 2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.498 -14.055 2.073 1.00 0.00 H new ATOM 1607 N VAL A 104 4.810 -10.162 2.350 1.00 0.00 N ATOM 1608 CA VAL A 104 5.534 -9.085 3.012 1.00 0.00 C ATOM 1609 C VAL A 104 4.545 -7.993 3.442 1.00 0.00 C ATOM 1610 O VAL A 104 4.769 -7.420 4.505 1.00 0.00 O ATOM 1611 CB VAL A 104 6.744 -8.656 2.147 1.00 0.00 C ATOM 1612 CG1 VAL A 104 6.465 -8.638 0.634 1.00 0.00 C ATOM 1613 CG2 VAL A 104 7.337 -7.308 2.573 1.00 0.00 C ATOM 0 H VAL A 104 5.082 -10.327 1.381 1.00 0.00 H new ATOM 0 HA VAL A 104 5.993 -9.403 3.948 1.00 0.00 H new ATOM 0 HB VAL A 104 7.479 -9.439 2.334 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.364 -8.327 0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.176 -9.636 0.305 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.657 -7.938 0.421 1.00 0.00 H new ATOM 0 HG21 VAL A 104 8.182 -7.062 1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.576 -6.532 2.486 1.00 0.00 H new ATOM 0 HG23 VAL A 104 7.675 -7.370 3.607 1.00 0.00 H new ATOM 1623 N LYS A 105 3.417 -7.758 2.746 1.00 0.00 N ATOM 1624 CA LYS A 105 2.427 -6.776 3.208 1.00 0.00 C ATOM 1625 C LYS A 105 1.863 -7.191 4.566 1.00 0.00 C ATOM 1626 O LYS A 105 1.634 -6.317 5.387 1.00 0.00 O ATOM 1627 CB LYS A 105 1.298 -6.602 2.181 1.00 0.00 C ATOM 1628 CG LYS A 105 0.195 -5.600 2.582 1.00 0.00 C ATOM 1629 CD LYS A 105 -1.138 -5.885 1.878 1.00 0.00 C ATOM 1630 CE LYS A 105 -1.765 -7.209 2.355 1.00 0.00 C ATOM 1631 NZ LYS A 105 -3.123 -7.398 1.811 1.00 0.00 N ATOM 0 H LYS A 105 3.173 -8.229 1.875 1.00 0.00 H new ATOM 0 HA LYS A 105 2.928 -5.814 3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 105 1.735 -6.279 1.236 1.00 0.00 H new ATOM 0 HB3 LYS A 105 0.837 -7.574 2.003 1.00 0.00 H new ATOM 0 HG2 LYS A 105 0.048 -5.638 3.661 1.00 0.00 H new ATOM 0 HG3 LYS A 105 0.521 -4.589 2.340 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -1.831 -5.066 2.067 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -0.979 -5.926 0.800 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -1.132 -8.042 2.050 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -1.805 -7.221 3.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -3.512 -8.299 2.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -3.734 -6.616 2.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -3.082 -7.412 0.772 1.00 0.00 H new ATOM 1645 N GLU A 106 1.643 -8.482 4.837 1.00 0.00 N ATOM 1646 CA GLU A 106 1.123 -8.942 6.124 1.00 0.00 C ATOM 1647 C GLU A 106 2.067 -8.565 7.266 1.00 0.00 C ATOM 1648 O GLU A 106 1.642 -8.536 8.420 1.00 0.00 O ATOM 1649 CB GLU A 106 0.846 -10.450 6.086 1.00 0.00 C ATOM 1650 CG GLU A 106 -0.322 -10.774 5.148 1.00 0.00 C ATOM 1651 CD GLU A 106 -1.673 -10.618 5.820 1.00 0.00 C ATOM 1652 OE1 GLU A 106 -2.257 -9.510 5.727 1.00 0.00 O ATOM 1653 OE2 GLU A 106 -2.187 -11.638 6.322 1.00 0.00 O ATOM 0 H GLU A 106 1.821 -9.234 4.171 1.00 0.00 H new ATOM 0 HA GLU A 106 0.176 -8.437 6.313 1.00 0.00 H new ATOM 0 HB2 GLU A 106 1.740 -10.979 5.755 1.00 0.00 H new ATOM 0 HB3 GLU A 106 0.619 -10.806 7.091 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.276 -10.119 4.278 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.218 -11.796 4.784 1.00 0.00 H new ATOM 1660 N VAL A 107 3.356 -8.372 6.984 1.00 0.00 N ATOM 1661 CA VAL A 107 4.318 -7.909 7.964 1.00 0.00 C ATOM 1662 C VAL A 107 4.277 -6.370 7.961 1.00 0.00 C ATOM 1663 O VAL A 107 4.069 -5.730 8.993 1.00 0.00 O ATOM 1664 CB VAL A 107 5.711 -8.516 7.700 1.00 0.00 C ATOM 1665 CG1 VAL A 107 6.637 -8.052 8.843 1.00 0.00 C ATOM 1666 CG2 VAL A 107 5.640 -10.050 7.686 1.00 0.00 C ATOM 0 H VAL A 107 3.757 -8.536 6.060 1.00 0.00 H new ATOM 0 HA VAL A 107 4.066 -8.248 8.969 1.00 0.00 H new ATOM 0 HB VAL A 107 6.086 -8.189 6.730 1.00 0.00 H new ATOM 0 HG11 VAL A 107 7.635 -8.462 8.692 1.00 0.00 H new ATOM 0 HG12 VAL A 107 6.689 -6.963 8.850 1.00 0.00 H new ATOM 0 HG13 VAL A 107 6.242 -8.402 9.796 1.00 0.00 H new ATOM 0 HG21 VAL A 107 6.633 -10.458 7.498 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.277 -10.406 8.650 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.959 -10.376 6.900 1.00 0.00 H new ATOM 1676 N VAL A 108 4.432 -5.779 6.780 1.00 0.00 N ATOM 1677 CA VAL A 108 4.495 -4.363 6.432 1.00 0.00 C ATOM 1678 C VAL A 108 3.096 -3.705 6.486 1.00 0.00 C ATOM 1679 O VAL A 108 2.862 -2.709 5.813 1.00 0.00 O ATOM 1680 CB VAL A 108 5.248 -4.294 5.064 1.00 0.00 C ATOM 1681 CG1 VAL A 108 5.325 -2.945 4.341 1.00 0.00 C ATOM 1682 CG2 VAL A 108 6.708 -4.759 5.257 1.00 0.00 C ATOM 0 H VAL A 108 4.528 -6.352 5.942 1.00 0.00 H new ATOM 0 HA VAL A 108 5.052 -3.764 7.152 1.00 0.00 H new ATOM 0 HB VAL A 108 4.633 -4.934 4.432 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.878 -3.063 3.409 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.317 -2.591 4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 108 5.834 -2.220 4.976 1.00 0.00 H new ATOM 0 HG21 VAL A 108 7.234 -4.711 4.304 1.00 0.00 H new ATOM 0 HG22 VAL A 108 7.204 -4.110 5.978 1.00 0.00 H new ATOM 0 HG23 VAL A 108 6.717 -5.785 5.626 1.00 0.00 H new ATOM 1692 N GLN A 109 2.138 -4.209 7.281 1.00 0.00 N ATOM 1693 CA GLN A 109 0.770 -3.672 7.303 1.00 0.00 C ATOM 1694 C GLN A 109 0.735 -2.161 7.597 1.00 0.00 C ATOM 1695 O GLN A 109 -0.201 -1.488 7.157 1.00 0.00 O ATOM 1696 CB GLN A 109 -0.139 -4.467 8.259 1.00 0.00 C ATOM 1697 CG GLN A 109 -0.479 -5.861 7.696 1.00 0.00 C ATOM 1698 CD GLN A 109 -1.415 -6.697 8.575 1.00 0.00 C ATOM 1699 OE1 GLN A 109 -1.738 -6.328 9.703 1.00 0.00 O ATOM 1700 NE2 GLN A 109 -1.887 -7.837 8.090 1.00 0.00 N ATOM 0 H GLN A 109 2.288 -4.991 7.919 1.00 0.00 H new ATOM 0 HA GLN A 109 0.369 -3.798 6.297 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.355 -4.575 9.225 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.060 -3.910 8.433 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -0.937 -5.739 6.715 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.449 -6.414 7.548 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -1.619 -8.143 7.155 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -2.518 -8.408 8.652 1.00 0.00 H new ATOM 1709 N ASN A 110 1.739 -1.613 8.292 1.00 0.00 N ATOM 1710 CA ASN A 110 1.873 -0.184 8.550 1.00 0.00 C ATOM 1711 C ASN A 110 2.803 0.355 7.464 1.00 0.00 C ATOM 1712 O ASN A 110 4.024 0.301 7.608 1.00 0.00 O ATOM 1713 CB ASN A 110 2.402 0.092 9.960 1.00 0.00 C ATOM 1714 CG ASN A 110 2.650 1.564 10.211 1.00 0.00 C ATOM 1715 OD1 ASN A 110 3.758 2.094 10.224 1.00 0.00 O ATOM 1716 ND2 ASN A 110 1.554 2.219 10.480 1.00 0.00 N ATOM 0 H ASN A 110 2.494 -2.167 8.697 1.00 0.00 H new ATOM 0 HA ASN A 110 0.906 0.317 8.513 1.00 0.00 H new ATOM 0 HB2 ASN A 110 1.686 -0.282 10.692 1.00 0.00 H new ATOM 0 HB3 ASN A 110 3.330 -0.460 10.110 1.00 0.00 H new ATOM 0 HD21 ASN A 110 1.597 3.211 10.713 1.00 0.00 H new ATOM 0 HD22 ASN A 110 0.654 1.739 10.458 1.00 0.00 H new ATOM 1723 N PHE A 111 2.235 0.793 6.341 1.00 0.00 N ATOM 1724 CA PHE A 111 2.957 1.348 5.200 1.00 0.00 C ATOM 1725 C PHE A 111 1.983 2.209 4.397 1.00 0.00 C ATOM 1726 O PHE A 111 0.814 2.327 4.771 1.00 0.00 O ATOM 1727 CB PHE A 111 3.614 0.276 4.309 1.00 0.00 C ATOM 1728 CG PHE A 111 2.740 -0.431 3.281 1.00 0.00 C ATOM 1729 CD1 PHE A 111 1.485 -0.976 3.621 1.00 0.00 C ATOM 1730 CD2 PHE A 111 3.202 -0.540 1.953 1.00 0.00 C ATOM 1731 CE1 PHE A 111 0.702 -1.615 2.645 1.00 0.00 C ATOM 1732 CE2 PHE A 111 2.422 -1.186 0.978 1.00 0.00 C ATOM 1733 CZ PHE A 111 1.168 -1.719 1.323 1.00 0.00 C ATOM 0 H PHE A 111 1.225 0.770 6.197 1.00 0.00 H new ATOM 0 HA PHE A 111 3.784 1.949 5.578 1.00 0.00 H new ATOM 0 HB2 PHE A 111 4.442 0.745 3.778 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.043 -0.484 4.962 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.124 -0.902 4.636 1.00 0.00 H new ATOM 0 HD2 PHE A 111 4.162 -0.124 1.683 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -0.260 -2.027 2.911 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.786 -1.273 -0.035 1.00 0.00 H new ATOM 0 HZ PHE A 111 0.563 -2.208 0.573 1.00 0.00 H new ATOM 1743 N ALA A 112 2.454 2.872 3.337 1.00 0.00 N ATOM 1744 CA ALA A 112 1.574 3.670 2.495 1.00 0.00 C ATOM 1745 C ALA A 112 1.302 2.996 1.149 1.00 0.00 C ATOM 1746 O ALA A 112 0.162 2.605 0.895 1.00 0.00 O ATOM 1747 CB ALA A 112 2.149 5.077 2.375 1.00 0.00 C ATOM 0 H ALA A 112 3.432 2.869 3.047 1.00 0.00 H new ATOM 0 HA ALA A 112 0.591 3.750 2.960 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.498 5.684 1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.219 5.527 3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 112 3.142 5.027 1.928 1.00 0.00 H new ATOM 1753 N LYS A 113 2.314 2.853 0.292 1.00 0.00 N ATOM 1754 CA LYS A 113 2.274 2.181 -1.010 1.00 0.00 C ATOM 1755 C LYS A 113 3.591 1.509 -1.283 1.00 0.00 C ATOM 1756 O LYS A 113 4.601 1.779 -0.635 1.00 0.00 O ATOM 1757 CB LYS A 113 1.952 3.149 -2.181 1.00 0.00 C ATOM 1758 CG LYS A 113 0.460 3.430 -2.340 1.00 0.00 C ATOM 1759 CD LYS A 113 0.059 4.882 -2.657 1.00 0.00 C ATOM 1760 CE LYS A 113 0.009 5.129 -4.172 1.00 0.00 C ATOM 1761 NZ LYS A 113 -0.808 6.307 -4.539 1.00 0.00 N ATOM 0 H LYS A 113 3.240 3.226 0.500 1.00 0.00 H new ATOM 0 HA LYS A 113 1.470 1.447 -0.955 1.00 0.00 H new ATOM 0 HB2 LYS A 113 2.477 4.091 -2.019 1.00 0.00 H new ATOM 0 HB3 LYS A 113 2.336 2.726 -3.109 1.00 0.00 H new ATOM 0 HG2 LYS A 113 0.076 2.790 -3.134 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -0.042 3.132 -1.420 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -0.916 5.096 -2.219 1.00 0.00 H new ATOM 0 HD3 LYS A 113 0.772 5.567 -2.198 1.00 0.00 H new ATOM 0 HE2 LYS A 113 1.024 5.267 -4.546 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -0.395 4.245 -4.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -0.889 6.365 -5.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -1.756 6.215 -4.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -0.354 7.170 -4.179 1.00 0.00 H new ATOM 1775 N GLU A 114 3.590 0.689 -2.313 1.00 0.00 N ATOM 1776 CA GLU A 114 4.771 0.009 -2.813 1.00 0.00 C ATOM 1777 C GLU A 114 5.230 0.669 -4.105 1.00 0.00 C ATOM 1778 O GLU A 114 4.683 1.699 -4.522 1.00 0.00 O ATOM 1779 CB GLU A 114 4.555 -1.503 -2.858 1.00 0.00 C ATOM 1780 CG GLU A 114 3.724 -2.090 -4.013 1.00 0.00 C ATOM 1781 CD GLU A 114 2.228 -1.785 -3.978 1.00 0.00 C ATOM 1782 OE1 GLU A 114 1.838 -0.598 -4.080 1.00 0.00 O ATOM 1783 OE2 GLU A 114 1.419 -2.743 -3.979 1.00 0.00 O ATOM 0 H GLU A 114 2.746 0.470 -2.841 1.00 0.00 H new ATOM 0 HA GLU A 114 5.610 0.121 -2.127 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.536 -1.978 -2.880 1.00 0.00 H new ATOM 0 HB3 GLU A 114 4.079 -1.798 -1.923 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.130 -1.717 -4.953 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.855 -3.172 -4.016 1.00 0.00 H new ATOM 1790 N PHE A 115 6.308 0.154 -4.676 1.00 0.00 N ATOM 1791 CA PHE A 115 6.918 0.715 -5.862 1.00 0.00 C ATOM 1792 C PHE A 115 7.527 -0.495 -6.582 1.00 0.00 C ATOM 1793 O PHE A 115 8.082 -1.388 -5.931 1.00 0.00 O ATOM 1794 CB PHE A 115 7.998 1.708 -5.397 1.00 0.00 C ATOM 1795 CG PHE A 115 8.423 2.791 -6.369 1.00 0.00 C ATOM 1796 CD1 PHE A 115 8.732 2.530 -7.714 1.00 0.00 C ATOM 1797 CD2 PHE A 115 8.455 4.121 -5.903 1.00 0.00 C ATOM 1798 CE1 PHE A 115 9.081 3.576 -8.577 1.00 0.00 C ATOM 1799 CE2 PHE A 115 8.808 5.169 -6.766 1.00 0.00 C ATOM 1800 CZ PHE A 115 9.140 4.892 -8.100 1.00 0.00 C ATOM 0 H PHE A 115 6.786 -0.674 -4.322 1.00 0.00 H new ATOM 0 HA PHE A 115 6.235 1.251 -6.521 1.00 0.00 H new ATOM 0 HB2 PHE A 115 7.639 2.194 -4.489 1.00 0.00 H new ATOM 0 HB3 PHE A 115 8.885 1.136 -5.123 1.00 0.00 H new ATOM 0 HD1 PHE A 115 8.700 1.516 -8.085 1.00 0.00 H new ATOM 0 HD2 PHE A 115 8.206 4.335 -4.874 1.00 0.00 H new ATOM 0 HE1 PHE A 115 9.305 3.368 -9.613 1.00 0.00 H new ATOM 0 HE2 PHE A 115 8.824 6.186 -6.404 1.00 0.00 H new ATOM 0 HZ PHE A 115 9.441 5.693 -8.759 1.00 0.00 H new ATOM 1810 N VAL A 116 7.440 -0.537 -7.904 1.00 0.00 N ATOM 1811 CA VAL A 116 8.029 -1.574 -8.744 1.00 0.00 C ATOM 1812 C VAL A 116 9.110 -0.905 -9.584 1.00 0.00 C ATOM 1813 O VAL A 116 8.827 0.043 -10.317 1.00 0.00 O ATOM 1814 CB VAL A 116 6.959 -2.245 -9.633 1.00 0.00 C ATOM 1815 CG1 VAL A 116 7.469 -3.605 -10.137 1.00 0.00 C ATOM 1816 CG2 VAL A 116 5.628 -2.457 -8.900 1.00 0.00 C ATOM 0 H VAL A 116 6.941 0.173 -8.441 1.00 0.00 H new ATOM 0 HA VAL A 116 8.458 -2.368 -8.133 1.00 0.00 H new ATOM 0 HB VAL A 116 6.778 -1.568 -10.468 1.00 0.00 H new ATOM 0 HG11 VAL A 116 6.707 -4.070 -10.763 1.00 0.00 H new ATOM 0 HG12 VAL A 116 8.378 -3.459 -10.720 1.00 0.00 H new ATOM 0 HG13 VAL A 116 7.683 -4.251 -9.286 1.00 0.00 H new ATOM 0 HG21 VAL A 116 4.914 -2.932 -9.573 1.00 0.00 H new ATOM 0 HG22 VAL A 116 5.789 -3.096 -8.032 1.00 0.00 H new ATOM 0 HG23 VAL A 116 5.235 -1.494 -8.574 1.00 0.00 H new ATOM 1826 N ILE A 117 10.341 -1.391 -9.515 1.00 0.00 N ATOM 1827 CA ILE A 117 11.489 -0.860 -10.235 1.00 0.00 C ATOM 1828 C ILE A 117 12.088 -2.032 -10.999 1.00 0.00 C ATOM 1829 O ILE A 117 12.185 -3.136 -10.463 1.00 0.00 O ATOM 1830 CB ILE A 117 12.449 -0.199 -9.238 1.00 0.00 C ATOM 1831 CG1 ILE A 117 11.806 1.047 -8.588 1.00 0.00 C ATOM 1832 CG2 ILE A 117 13.709 0.267 -9.964 1.00 0.00 C ATOM 1833 CD1 ILE A 117 11.642 0.935 -7.079 1.00 0.00 C ATOM 0 H ILE A 117 10.576 -2.196 -8.934 1.00 0.00 H new ATOM 0 HA ILE A 117 11.233 -0.078 -10.949 1.00 0.00 H new ATOM 0 HB ILE A 117 12.685 -0.938 -8.472 1.00 0.00 H new ATOM 0 HG12 ILE A 117 12.418 1.920 -8.814 1.00 0.00 H new ATOM 0 HG13 ILE A 117 10.828 1.217 -9.039 1.00 0.00 H new ATOM 0 HG21 ILE A 117 14.387 0.736 -9.251 1.00 0.00 H new ATOM 0 HG22 ILE A 117 14.202 -0.590 -10.424 1.00 0.00 H new ATOM 0 HG23 ILE A 117 13.439 0.988 -10.736 1.00 0.00 H new ATOM 0 HD11 ILE A 117 11.185 1.846 -6.694 1.00 0.00 H new ATOM 0 HD12 ILE A 117 11.005 0.082 -6.845 1.00 0.00 H new ATOM 0 HD13 ILE A 117 12.619 0.796 -6.616 1.00 0.00 H new ATOM 1845 N SER A 118 12.486 -1.784 -12.244 1.00 0.00 N ATOM 1846 CA SER A 118 12.997 -2.809 -13.138 1.00 0.00 C ATOM 1847 C SER A 118 14.300 -2.431 -13.835 1.00 0.00 C ATOM 1848 O SER A 118 14.825 -3.238 -14.602 1.00 0.00 O ATOM 1849 CB SER A 118 11.886 -3.208 -14.117 1.00 0.00 C ATOM 1850 OG SER A 118 11.099 -2.108 -14.570 1.00 0.00 O ATOM 0 H SER A 118 12.461 -0.854 -12.661 1.00 0.00 H new ATOM 0 HA SER A 118 13.274 -3.676 -12.538 1.00 0.00 H new ATOM 0 HB2 SER A 118 12.334 -3.702 -14.979 1.00 0.00 H new ATOM 0 HB3 SER A 118 11.234 -3.936 -13.635 1.00 0.00 H new ATOM 0 HG SER A 118 10.412 -2.431 -15.190 1.00 0.00 H new ATOM 1856 N ASP A 119 14.863 -1.255 -13.552 1.00 0.00 N ATOM 1857 CA ASP A 119 16.145 -0.829 -14.120 1.00 0.00 C ATOM 1858 C ASP A 119 16.994 -0.179 -13.029 1.00 0.00 C ATOM 1859 O ASP A 119 16.466 0.612 -12.245 1.00 0.00 O ATOM 1860 CB ASP A 119 15.874 0.111 -15.286 1.00 0.00 C ATOM 1861 CG ASP A 119 17.183 0.558 -15.908 1.00 0.00 C ATOM 1862 OD1 ASP A 119 17.757 1.564 -15.446 1.00 0.00 O ATOM 1863 OD2 ASP A 119 17.633 -0.099 -16.873 1.00 0.00 O ATOM 0 H ASP A 119 14.444 -0.570 -12.923 1.00 0.00 H new ATOM 0 HA ASP A 119 16.708 -1.681 -14.500 1.00 0.00 H new ATOM 0 HB2 ASP A 119 15.260 -0.391 -16.033 1.00 0.00 H new ATOM 0 HB3 ASP A 119 15.311 0.978 -14.941 1.00 0.00 H new ATOM 1868 N ARG A 120 18.282 -0.534 -12.934 1.00 0.00 N ATOM 1869 CA ARG A 120 19.161 -0.048 -11.868 1.00 0.00 C ATOM 1870 C ARG A 120 19.475 1.446 -11.995 1.00 0.00 C ATOM 1871 O ARG A 120 19.756 2.067 -10.977 1.00 0.00 O ATOM 1872 CB ARG A 120 20.445 -0.892 -11.822 1.00 0.00 C ATOM 1873 CG ARG A 120 21.181 -0.821 -10.471 1.00 0.00 C ATOM 1874 CD ARG A 120 22.626 -1.333 -10.561 1.00 0.00 C ATOM 1875 NE ARG A 120 23.478 -0.369 -11.289 1.00 0.00 N ATOM 1876 CZ ARG A 120 23.786 -0.431 -12.591 1.00 0.00 C ATOM 1877 NH1 ARG A 120 23.572 -1.536 -13.287 1.00 0.00 N ATOM 1878 NH2 ARG A 120 24.274 0.627 -13.230 1.00 0.00 N ATOM 0 H ARG A 120 18.741 -1.164 -13.592 1.00 0.00 H new ATOM 0 HA ARG A 120 18.629 -0.162 -10.924 1.00 0.00 H new ATOM 0 HB2 ARG A 120 20.195 -1.931 -12.036 1.00 0.00 H new ATOM 0 HB3 ARG A 120 21.118 -0.557 -12.611 1.00 0.00 H new ATOM 0 HG2 ARG A 120 21.186 0.210 -10.117 1.00 0.00 H new ATOM 0 HG3 ARG A 120 20.636 -1.409 -9.733 1.00 0.00 H new ATOM 0 HD2 ARG A 120 23.024 -1.493 -9.559 1.00 0.00 H new ATOM 0 HD3 ARG A 120 22.644 -2.298 -11.068 1.00 0.00 H new ATOM 0 HE ARG A 120 23.864 0.409 -10.755 1.00 0.00 H new ATOM 0 HH11 ARG A 120 23.168 -2.355 -12.833 1.00 0.00 H new ATOM 0 HH12 ARG A 120 23.811 -1.569 -14.278 1.00 0.00 H new ATOM 0 HH21 ARG A 120 24.419 1.503 -12.729 1.00 0.00 H new ATOM 0 HH22 ARG A 120 24.503 0.563 -14.222 1.00 0.00 H new ATOM 1892 N LYS A 121 19.490 2.045 -13.192 1.00 0.00 N ATOM 1893 CA LYS A 121 19.687 3.479 -13.311 1.00 0.00 C ATOM 1894 C LYS A 121 18.427 4.135 -12.783 1.00 0.00 C ATOM 1895 O LYS A 121 18.496 5.120 -12.053 1.00 0.00 O ATOM 1896 CB LYS A 121 19.848 3.961 -14.758 1.00 0.00 C ATOM 1897 CG LYS A 121 21.043 3.438 -15.554 1.00 0.00 C ATOM 1898 CD LYS A 121 20.825 3.630 -17.066 1.00 0.00 C ATOM 1899 CE LYS A 121 20.426 5.046 -17.531 1.00 0.00 C ATOM 1900 NZ LYS A 121 18.980 5.349 -17.396 1.00 0.00 N ATOM 0 H LYS A 121 19.369 1.557 -14.079 1.00 0.00 H new ATOM 0 HA LYS A 121 20.598 3.733 -12.769 1.00 0.00 H new ATOM 0 HB2 LYS A 121 18.941 3.696 -15.302 1.00 0.00 H new ATOM 0 HB3 LYS A 121 19.905 5.049 -14.744 1.00 0.00 H new ATOM 0 HG2 LYS A 121 21.948 3.961 -15.244 1.00 0.00 H new ATOM 0 HG3 LYS A 121 21.195 2.381 -15.336 1.00 0.00 H new ATOM 0 HD2 LYS A 121 21.743 3.348 -17.581 1.00 0.00 H new ATOM 0 HD3 LYS A 121 20.051 2.934 -17.390 1.00 0.00 H new ATOM 0 HE2 LYS A 121 20.994 5.778 -16.956 1.00 0.00 H new ATOM 0 HE3 LYS A 121 20.715 5.168 -18.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 18.693 6.013 -18.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 18.431 4.470 -17.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 18.800 5.777 -16.465 1.00 0.00 H new ATOM 1914 N GLU A 122 17.278 3.602 -13.210 1.00 0.00 N ATOM 1915 CA GLU A 122 15.989 4.157 -12.869 1.00 0.00 C ATOM 1916 C GLU A 122 15.836 4.184 -11.354 1.00 0.00 C ATOM 1917 O GLU A 122 15.490 5.231 -10.834 1.00 0.00 O ATOM 1918 CB GLU A 122 14.861 3.416 -13.594 1.00 0.00 C ATOM 1919 CG GLU A 122 13.583 4.264 -13.661 1.00 0.00 C ATOM 1920 CD GLU A 122 13.677 5.500 -14.580 1.00 0.00 C ATOM 1921 OE1 GLU A 122 14.720 5.716 -15.242 1.00 0.00 O ATOM 1922 OE2 GLU A 122 12.680 6.253 -14.673 1.00 0.00 O ATOM 0 H GLU A 122 17.228 2.773 -13.802 1.00 0.00 H new ATOM 0 HA GLU A 122 15.921 5.188 -13.215 1.00 0.00 H new ATOM 0 HB2 GLU A 122 15.182 3.160 -14.604 1.00 0.00 H new ATOM 0 HB3 GLU A 122 14.650 2.479 -13.079 1.00 0.00 H new ATOM 0 HG2 GLU A 122 12.763 3.634 -14.005 1.00 0.00 H new ATOM 0 HG3 GLU A 122 13.330 4.595 -12.654 1.00 0.00 H new ATOM 1929 N LEU A 123 16.225 3.097 -10.676 1.00 0.00 N ATOM 1930 CA LEU A 123 16.155 2.818 -9.236 1.00 0.00 C ATOM 1931 C LEU A 123 16.583 3.971 -8.332 1.00 0.00 C ATOM 1932 O LEU A 123 16.176 3.986 -7.172 1.00 0.00 O ATOM 1933 CB LEU A 123 16.971 1.531 -9.007 1.00 0.00 C ATOM 1934 CG LEU A 123 17.166 0.907 -7.619 1.00 0.00 C ATOM 1935 CD1 LEU A 123 18.258 1.611 -6.821 1.00 0.00 C ATOM 1936 CD2 LEU A 123 15.867 0.685 -6.835 1.00 0.00 C ATOM 0 H LEU A 123 16.640 2.310 -11.174 1.00 0.00 H new ATOM 0 HA LEU A 123 15.113 2.684 -8.945 1.00 0.00 H new ATOM 0 HB2 LEU A 123 16.519 0.761 -9.633 1.00 0.00 H new ATOM 0 HB3 LEU A 123 17.968 1.721 -9.405 1.00 0.00 H new ATOM 0 HG LEU A 123 17.527 -0.105 -7.801 1.00 0.00 H new ATOM 0 HD11 LEU A 123 18.360 1.135 -5.846 1.00 0.00 H new ATOM 0 HD12 LEU A 123 19.203 1.543 -7.359 1.00 0.00 H new ATOM 0 HD13 LEU A 123 17.992 2.659 -6.687 1.00 0.00 H new ATOM 0 HD21 LEU A 123 16.098 0.241 -5.867 1.00 0.00 H new ATOM 0 HD22 LEU A 123 15.364 1.641 -6.685 1.00 0.00 H new ATOM 0 HD23 LEU A 123 15.214 0.015 -7.395 1.00 0.00 H new ATOM 1948 N GLU A 124 17.399 4.896 -8.821 1.00 0.00 N ATOM 1949 CA GLU A 124 17.799 6.087 -8.090 1.00 0.00 C ATOM 1950 C GLU A 124 16.634 6.869 -7.489 1.00 0.00 C ATOM 1951 O GLU A 124 15.508 6.880 -7.999 1.00 0.00 O ATOM 1952 CB GLU A 124 18.618 7.006 -9.010 1.00 0.00 C ATOM 1953 CG GLU A 124 20.079 6.543 -9.071 1.00 0.00 C ATOM 1954 CD GLU A 124 20.841 6.981 -7.804 1.00 0.00 C ATOM 1955 OE1 GLU A 124 20.176 7.300 -6.783 1.00 0.00 O ATOM 1956 OE2 GLU A 124 22.087 6.977 -7.862 1.00 0.00 O ATOM 0 H GLU A 124 17.808 4.837 -9.754 1.00 0.00 H new ATOM 0 HA GLU A 124 18.400 5.741 -7.249 1.00 0.00 H new ATOM 0 HB2 GLU A 124 18.188 7.004 -10.012 1.00 0.00 H new ATOM 0 HB3 GLU A 124 18.571 8.032 -8.645 1.00 0.00 H new ATOM 0 HG2 GLU A 124 20.118 5.458 -9.169 1.00 0.00 H new ATOM 0 HG3 GLU A 124 20.562 6.960 -9.955 1.00 0.00 H new ATOM 1963 N GLU A 125 16.941 7.615 -6.425 1.00 0.00 N ATOM 1964 CA GLU A 125 15.961 8.489 -5.793 1.00 0.00 C ATOM 1965 C GLU A 125 15.432 9.572 -6.727 1.00 0.00 C ATOM 1966 O GLU A 125 14.395 10.151 -6.420 1.00 0.00 O ATOM 1967 CB GLU A 125 16.476 9.103 -4.484 1.00 0.00 C ATOM 1968 CG GLU A 125 16.361 8.183 -3.256 1.00 0.00 C ATOM 1969 CD GLU A 125 15.096 8.516 -2.443 1.00 0.00 C ATOM 1970 OE1 GLU A 125 15.082 9.558 -1.736 1.00 0.00 O ATOM 1971 OE2 GLU A 125 14.104 7.761 -2.472 1.00 0.00 O ATOM 0 H GLU A 125 17.862 7.628 -5.986 1.00 0.00 H new ATOM 0 HA GLU A 125 15.121 7.840 -5.547 1.00 0.00 H new ATOM 0 HB2 GLU A 125 17.521 9.382 -4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 125 15.923 10.021 -4.287 1.00 0.00 H new ATOM 0 HG2 GLU A 125 16.329 7.142 -3.577 1.00 0.00 H new ATOM 0 HG3 GLU A 125 17.244 8.296 -2.627 1.00 0.00 H new ATOM 1978 N ASP A 126 16.091 9.834 -7.854 1.00 0.00 N ATOM 1979 CA ASP A 126 15.629 10.785 -8.851 1.00 0.00 C ATOM 1980 C ASP A 126 14.184 10.506 -9.244 1.00 0.00 C ATOM 1981 O ASP A 126 13.295 11.307 -8.911 1.00 0.00 O ATOM 1982 CB ASP A 126 16.520 10.799 -10.108 1.00 0.00 C ATOM 1983 CG ASP A 126 15.844 11.560 -11.263 1.00 0.00 C ATOM 1984 OD1 ASP A 126 15.300 12.657 -11.017 1.00 0.00 O ATOM 1985 OD2 ASP A 126 15.783 11.027 -12.398 1.00 0.00 O ATOM 0 H ASP A 126 16.972 9.383 -8.099 1.00 0.00 H new ATOM 0 HA ASP A 126 15.691 11.771 -8.390 1.00 0.00 H new ATOM 0 HB2 ASP A 126 17.477 11.265 -9.873 1.00 0.00 H new ATOM 0 HB3 ASP A 126 16.731 9.776 -10.418 1.00 0.00 H new ATOM 1990 N PHE A 127 13.911 9.349 -9.869 1.00 0.00 N ATOM 1991 CA PHE A 127 12.528 9.198 -10.310 1.00 0.00 C ATOM 1992 C PHE A 127 11.653 8.854 -9.117 1.00 0.00 C ATOM 1993 O PHE A 127 10.467 9.181 -9.156 1.00 0.00 O ATOM 1994 CB PHE A 127 12.251 8.164 -11.404 1.00 0.00 C ATOM 1995 CG PHE A 127 12.081 6.697 -11.062 1.00 0.00 C ATOM 1996 CD1 PHE A 127 12.902 5.995 -10.170 1.00 0.00 C ATOM 1997 CD2 PHE A 127 10.986 6.037 -11.644 1.00 0.00 C ATOM 1998 CE1 PHE A 127 12.692 4.619 -9.965 1.00 0.00 C ATOM 1999 CE2 PHE A 127 10.779 4.666 -11.457 1.00 0.00 C ATOM 2000 CZ PHE A 127 11.659 3.945 -10.639 1.00 0.00 C ATOM 0 H PHE A 127 14.555 8.582 -10.063 1.00 0.00 H new ATOM 0 HA PHE A 127 12.298 10.163 -10.761 1.00 0.00 H new ATOM 0 HB2 PHE A 127 11.344 8.479 -11.920 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.067 8.232 -12.123 1.00 0.00 H new ATOM 0 HD1 PHE A 127 13.693 6.508 -9.642 1.00 0.00 H new ATOM 0 HD2 PHE A 127 10.290 6.599 -12.248 1.00 0.00 H new ATOM 0 HE1 PHE A 127 13.330 4.076 -9.284 1.00 0.00 H new ATOM 0 HE2 PHE A 127 9.950 4.169 -11.938 1.00 0.00 H new ATOM 0 HZ PHE A 127 11.544 2.877 -10.527 1.00 0.00 H new ATOM 2010 N ILE A 128 12.206 8.227 -8.068 1.00 0.00 N ATOM 2011 CA ILE A 128 11.453 7.782 -6.904 1.00 0.00 C ATOM 2012 C ILE A 128 10.871 8.999 -6.199 1.00 0.00 C ATOM 2013 O ILE A 128 9.708 8.951 -5.812 1.00 0.00 O ATOM 2014 CB ILE A 128 12.291 6.872 -5.974 1.00 0.00 C ATOM 2015 CG1 ILE A 128 12.561 5.525 -6.677 1.00 0.00 C ATOM 2016 CG2 ILE A 128 11.641 6.650 -4.600 1.00 0.00 C ATOM 2017 CD1 ILE A 128 13.317 4.483 -5.852 1.00 0.00 C ATOM 0 H ILE A 128 13.202 8.016 -8.011 1.00 0.00 H new ATOM 0 HA ILE A 128 10.626 7.150 -7.228 1.00 0.00 H new ATOM 0 HB ILE A 128 13.233 7.384 -5.781 1.00 0.00 H new ATOM 0 HG12 ILE A 128 11.605 5.097 -6.980 1.00 0.00 H new ATOM 0 HG13 ILE A 128 13.127 5.719 -7.588 1.00 0.00 H new ATOM 0 HG21 ILE A 128 12.278 6.004 -3.996 1.00 0.00 H new ATOM 0 HG22 ILE A 128 11.516 7.609 -4.097 1.00 0.00 H new ATOM 0 HG23 ILE A 128 10.667 6.179 -4.730 1.00 0.00 H new ATOM 0 HD11 ILE A 128 13.451 3.578 -6.444 1.00 0.00 H new ATOM 0 HD12 ILE A 128 14.292 4.880 -5.570 1.00 0.00 H new ATOM 0 HD13 ILE A 128 12.748 4.248 -4.953 1.00 0.00 H new ATOM 2029 N LYS A 129 11.607 10.107 -6.059 1.00 0.00 N ATOM 2030 CA LYS A 129 11.069 11.296 -5.406 1.00 0.00 C ATOM 2031 C LYS A 129 9.873 11.823 -6.190 1.00 0.00 C ATOM 2032 O LYS A 129 8.805 12.035 -5.612 1.00 0.00 O ATOM 2033 CB LYS A 129 12.155 12.377 -5.278 1.00 0.00 C ATOM 2034 CG LYS A 129 13.191 12.090 -4.174 1.00 0.00 C ATOM 2035 CD LYS A 129 14.269 13.192 -4.155 1.00 0.00 C ATOM 2036 CE LYS A 129 15.591 12.782 -3.486 1.00 0.00 C ATOM 2037 NZ LYS A 129 15.412 12.225 -2.131 1.00 0.00 N ATOM 0 H LYS A 129 12.568 10.201 -6.387 1.00 0.00 H new ATOM 0 HA LYS A 129 10.738 11.029 -4.403 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.672 12.474 -6.232 1.00 0.00 H new ATOM 0 HB3 LYS A 129 11.678 13.336 -5.075 1.00 0.00 H new ATOM 0 HG2 LYS A 129 12.695 12.039 -3.205 1.00 0.00 H new ATOM 0 HG3 LYS A 129 13.656 11.119 -4.345 1.00 0.00 H new ATOM 0 HD2 LYS A 129 14.475 13.498 -5.181 1.00 0.00 H new ATOM 0 HD3 LYS A 129 13.870 14.064 -3.637 1.00 0.00 H new ATOM 0 HE2 LYS A 129 16.093 12.044 -4.111 1.00 0.00 H new ATOM 0 HE3 LYS A 129 16.247 13.651 -3.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 16.137 12.616 -1.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 14.468 12.476 -1.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 15.504 11.190 -2.166 1.00 0.00 H new ATOM 2051 N SER A 130 10.045 12.051 -7.493 1.00 0.00 N ATOM 2052 CA SER A 130 8.996 12.603 -8.338 1.00 0.00 C ATOM 2053 C SER A 130 7.821 11.630 -8.439 1.00 0.00 C ATOM 2054 O SER A 130 6.674 12.075 -8.479 1.00 0.00 O ATOM 2055 CB SER A 130 9.584 12.957 -9.708 1.00 0.00 C ATOM 2056 OG SER A 130 8.612 13.466 -10.600 1.00 0.00 O ATOM 0 H SER A 130 10.916 11.857 -7.988 1.00 0.00 H new ATOM 0 HA SER A 130 8.604 13.519 -7.895 1.00 0.00 H new ATOM 0 HB2 SER A 130 10.376 13.694 -9.580 1.00 0.00 H new ATOM 0 HB3 SER A 130 10.042 12.069 -10.143 1.00 0.00 H new ATOM 0 HG SER A 130 9.035 13.678 -11.458 1.00 0.00 H new ATOM 2062 N GLU A 131 8.067 10.321 -8.442 1.00 0.00 N ATOM 2063 CA GLU A 131 7.032 9.300 -8.532 1.00 0.00 C ATOM 2064 C GLU A 131 6.264 9.218 -7.221 1.00 0.00 C ATOM 2065 O GLU A 131 5.035 9.206 -7.236 1.00 0.00 O ATOM 2066 CB GLU A 131 7.644 7.958 -8.954 1.00 0.00 C ATOM 2067 CG GLU A 131 6.630 6.809 -9.074 1.00 0.00 C ATOM 2068 CD GLU A 131 5.421 7.106 -9.967 1.00 0.00 C ATOM 2069 OE1 GLU A 131 5.527 7.951 -10.887 1.00 0.00 O ATOM 2070 OE2 GLU A 131 4.406 6.387 -9.844 1.00 0.00 O ATOM 0 H GLU A 131 9.010 9.936 -8.381 1.00 0.00 H new ATOM 0 HA GLU A 131 6.312 9.571 -9.304 1.00 0.00 H new ATOM 0 HB2 GLU A 131 8.145 8.086 -9.914 1.00 0.00 H new ATOM 0 HB3 GLU A 131 8.409 7.677 -8.230 1.00 0.00 H new ATOM 0 HG2 GLU A 131 7.144 5.930 -9.463 1.00 0.00 H new ATOM 0 HG3 GLU A 131 6.272 6.554 -8.076 1.00 0.00 H new ATOM 2077 N LEU A 132 6.955 9.231 -6.080 1.00 0.00 N ATOM 2078 CA LEU A 132 6.301 9.250 -4.780 1.00 0.00 C ATOM 2079 C LEU A 132 5.473 10.527 -4.663 1.00 0.00 C ATOM 2080 O LEU A 132 4.459 10.502 -3.975 1.00 0.00 O ATOM 2081 CB LEU A 132 7.304 9.061 -3.635 1.00 0.00 C ATOM 2082 CG LEU A 132 7.790 7.597 -3.548 1.00 0.00 C ATOM 2083 CD1 LEU A 132 8.977 7.499 -2.607 1.00 0.00 C ATOM 2084 CD2 LEU A 132 6.715 6.633 -3.042 1.00 0.00 C ATOM 0 H LEU A 132 7.974 9.229 -6.035 1.00 0.00 H new ATOM 0 HA LEU A 132 5.622 8.402 -4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 132 8.158 9.721 -3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 132 6.840 9.349 -2.692 1.00 0.00 H new ATOM 0 HG LEU A 132 8.057 7.309 -4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 132 9.313 6.464 -2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 132 9.789 8.124 -2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 132 8.683 7.839 -1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 132 7.121 5.622 -3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 132 6.398 6.934 -2.044 1.00 0.00 H new ATOM 0 HD23 LEU A 132 5.859 6.655 -3.717 1.00 0.00 H new ATOM 2096 N LYS A 133 5.889 11.629 -5.299 1.00 0.00 N ATOM 2097 CA LYS A 133 5.140 12.880 -5.355 1.00 0.00 C ATOM 2098 C LYS A 133 3.896 12.686 -6.224 1.00 0.00 C ATOM 2099 O LYS A 133 2.799 12.938 -5.733 1.00 0.00 O ATOM 2100 CB LYS A 133 6.040 14.040 -5.832 1.00 0.00 C ATOM 2101 CG LYS A 133 6.907 14.658 -4.722 1.00 0.00 C ATOM 2102 CD LYS A 133 6.050 15.563 -3.816 1.00 0.00 C ATOM 2103 CE LYS A 133 6.864 16.319 -2.755 1.00 0.00 C ATOM 2104 NZ LYS A 133 7.565 17.507 -3.290 1.00 0.00 N ATOM 0 H LYS A 133 6.777 11.671 -5.799 1.00 0.00 H new ATOM 0 HA LYS A 133 4.803 13.157 -4.356 1.00 0.00 H new ATOM 0 HB2 LYS A 133 6.691 13.677 -6.628 1.00 0.00 H new ATOM 0 HB3 LYS A 133 5.412 14.819 -6.264 1.00 0.00 H new ATOM 0 HG2 LYS A 133 7.367 13.868 -4.128 1.00 0.00 H new ATOM 0 HG3 LYS A 133 7.718 15.237 -5.164 1.00 0.00 H new ATOM 0 HD2 LYS A 133 5.518 16.285 -4.436 1.00 0.00 H new ATOM 0 HD3 LYS A 133 5.296 14.954 -3.317 1.00 0.00 H new ATOM 0 HE2 LYS A 133 6.198 16.631 -1.951 1.00 0.00 H new ATOM 0 HE3 LYS A 133 7.596 15.640 -2.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 8.095 17.971 -2.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 8.224 17.213 -4.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 6.869 18.173 -3.683 1.00 0.00 H new ATOM 2118 N LYS A 134 4.028 12.186 -7.460 1.00 0.00 N ATOM 2119 CA LYS A 134 2.903 11.894 -8.361 1.00 0.00 C ATOM 2120 C LYS A 134 1.873 11.034 -7.630 1.00 0.00 C ATOM 2121 O LYS A 134 0.716 11.427 -7.508 1.00 0.00 O ATOM 2122 CB LYS A 134 3.389 11.182 -9.646 1.00 0.00 C ATOM 2123 CG LYS A 134 4.198 12.085 -10.591 1.00 0.00 C ATOM 2124 CD LYS A 134 5.085 11.260 -11.537 1.00 0.00 C ATOM 2125 CE LYS A 134 6.028 12.178 -12.311 1.00 0.00 C ATOM 2126 NZ LYS A 134 7.089 11.448 -13.030 1.00 0.00 N ATOM 0 H LYS A 134 4.936 11.969 -7.870 1.00 0.00 H new ATOM 0 HA LYS A 134 2.441 12.835 -8.659 1.00 0.00 H new ATOM 0 HB2 LYS A 134 4.002 10.325 -9.365 1.00 0.00 H new ATOM 0 HB3 LYS A 134 2.524 10.793 -10.183 1.00 0.00 H new ATOM 0 HG2 LYS A 134 3.517 12.704 -11.176 1.00 0.00 H new ATOM 0 HG3 LYS A 134 4.820 12.762 -10.005 1.00 0.00 H new ATOM 0 HD2 LYS A 134 5.662 10.533 -10.965 1.00 0.00 H new ATOM 0 HD3 LYS A 134 4.462 10.697 -12.232 1.00 0.00 H new ATOM 0 HE2 LYS A 134 5.450 12.763 -13.026 1.00 0.00 H new ATOM 0 HE3 LYS A 134 6.487 12.884 -11.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 7.695 12.125 -13.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 7.663 10.910 -12.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 6.658 10.793 -13.713 1.00 0.00 H new ATOM 2140 N ALA A 135 2.296 9.879 -7.120 1.00 0.00 N ATOM 2141 CA ALA A 135 1.503 8.928 -6.350 1.00 0.00 C ATOM 2142 C ALA A 135 1.250 9.365 -4.892 1.00 0.00 C ATOM 2143 O ALA A 135 0.767 8.555 -4.092 1.00 0.00 O ATOM 2144 CB ALA A 135 2.238 7.582 -6.398 1.00 0.00 C ATOM 0 H ALA A 135 3.259 9.565 -7.242 1.00 0.00 H new ATOM 0 HA ALA A 135 0.510 8.861 -6.796 1.00 0.00 H new ATOM 0 HB1 ALA A 135 1.675 6.840 -5.832 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.330 7.255 -7.434 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.231 7.694 -5.963 1.00 0.00 H new