USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 577 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 55 HIS : no HD1:sc= -0.0445 X(o=-0.12,f=-0.049) USER MOD Set 1.2: A 58 LYS NZ :NH3+ -149:sc= -0.0795 (180deg=-1.19) USER MOD Single : A 3 THR OG1 : rot -24:sc= 0.0837 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.05) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -3.15 K(o=-3.2,f=-9.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 56 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00684) USER MOD Single : A 66 HIS : no HD1:sc= -0.0333 X(o=-0.033,f=-0.13) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 25 N THR A 3 7.177 -4.479 -3.121 1.00 22.11 N ATOM 26 CA THR A 3 8.621 -4.671 -3.166 1.00 22.14 C ATOM 27 C THR A 3 9.148 -5.189 -1.832 1.00 45.23 C ATOM 28 O THR A 3 8.572 -4.917 -0.779 1.00 20.04 O ATOM 29 CB THR A 3 9.351 -3.362 -3.520 1.00 3.21 C ATOM 30 OG1 THR A 3 9.010 -2.340 -2.577 1.00 13.21 O ATOM 31 CG2 THR A 3 8.990 -2.904 -4.925 1.00 1.11 C ATOM 0 HA THR A 3 8.818 -5.409 -3.943 1.00 22.14 H new ATOM 0 HB THR A 3 10.424 -3.548 -3.480 1.00 3.21 H new ATOM 0 HG1 THR A 3 8.140 -2.543 -2.174 1.00 13.21 H new ATOM 0 HG21 THR A 3 9.518 -1.978 -5.153 1.00 1.11 H new ATOM 0 HG22 THR A 3 9.278 -3.672 -5.643 1.00 1.11 H new ATOM 0 HG23 THR A 3 7.915 -2.734 -4.987 1.00 1.11 H new ATOM 39 N ILE A 4 10.247 -5.935 -1.885 1.00 53.22 N ATOM 40 CA ILE A 4 10.852 -6.489 -0.680 1.00 41.35 C ATOM 41 C ILE A 4 11.077 -5.406 0.369 1.00 0.14 C ATOM 42 O ILE A 4 11.004 -5.667 1.570 1.00 14.54 O ATOM 43 CB ILE A 4 12.196 -7.175 -0.990 1.00 13.20 C ATOM 44 CG1 ILE A 4 11.986 -8.344 -1.955 1.00 10.15 C ATOM 45 CG2 ILE A 4 12.855 -7.653 0.295 1.00 33.02 C ATOM 46 CD1 ILE A 4 11.022 -9.388 -1.437 1.00 75.34 C ATOM 0 H ILE A 4 10.736 -6.169 -2.749 1.00 53.22 H new ATOM 0 HA ILE A 4 10.156 -7.231 -0.289 1.00 41.35 H new ATOM 0 HB ILE A 4 12.856 -6.450 -1.466 1.00 13.20 H new ATOM 0 HG12 ILE A 4 11.616 -7.959 -2.905 1.00 10.15 H new ATOM 0 HG13 ILE A 4 12.948 -8.816 -2.156 1.00 10.15 H new ATOM 0 HG21 ILE A 4 13.804 -8.136 0.060 1.00 33.02 H new ATOM 0 HG22 ILE A 4 13.034 -6.801 0.951 1.00 33.02 H new ATOM 0 HG23 ILE A 4 12.200 -8.365 0.797 1.00 33.02 H new ATOM 0 HD11 ILE A 4 10.921 -10.187 -2.172 1.00 75.34 H new ATOM 0 HD12 ILE A 4 11.401 -9.801 -0.502 1.00 75.34 H new ATOM 0 HD13 ILE A 4 10.048 -8.930 -1.263 1.00 75.34 H new ATOM 58 N ASP A 5 11.349 -4.190 -0.092 1.00 25.24 N ATOM 59 CA ASP A 5 11.582 -3.066 0.808 1.00 43.14 C ATOM 60 C ASP A 5 10.409 -2.884 1.765 1.00 31.13 C ATOM 61 O ASP A 5 10.581 -2.418 2.892 1.00 73.12 O ATOM 62 CB ASP A 5 11.806 -1.782 0.006 1.00 23.54 C ATOM 63 CG ASP A 5 12.258 -0.627 0.878 1.00 64.40 C ATOM 64 OD1 ASP A 5 13.189 -0.824 1.687 1.00 51.21 O ATOM 65 OD2 ASP A 5 11.681 0.473 0.752 1.00 51.02 O ATOM 0 H ASP A 5 11.414 -3.957 -1.083 1.00 25.24 H new ATOM 0 HA ASP A 5 12.476 -3.280 1.394 1.00 43.14 H new ATOM 0 HB2 ASP A 5 12.553 -1.965 -0.766 1.00 23.54 H new ATOM 0 HB3 ASP A 5 10.882 -1.509 -0.503 1.00 23.54 H new ATOM 70 N ASP A 6 9.217 -3.254 1.309 1.00 2.25 N ATOM 71 CA ASP A 6 8.015 -3.132 2.126 1.00 52.44 C ATOM 72 C ASP A 6 8.087 -4.050 3.341 1.00 25.32 C ATOM 73 O ASP A 6 7.426 -3.813 4.352 1.00 44.44 O ATOM 74 CB ASP A 6 6.773 -3.461 1.295 1.00 24.12 C ATOM 75 CG ASP A 6 5.563 -2.651 1.716 1.00 3.25 C ATOM 76 OD1 ASP A 6 5.441 -1.491 1.270 1.00 64.35 O ATOM 77 OD2 ASP A 6 4.738 -3.176 2.494 1.00 45.22 O ATOM 0 H ASP A 6 9.057 -3.641 0.379 1.00 2.25 H new ATOM 0 HA ASP A 6 7.947 -2.102 2.476 1.00 52.44 H new ATOM 0 HB2 ASP A 6 6.984 -3.273 0.242 1.00 24.12 H new ATOM 0 HB3 ASP A 6 6.547 -4.523 1.390 1.00 24.12 H new ATOM 82 N ALA A 7 8.895 -5.101 3.235 1.00 15.12 N ATOM 83 CA ALA A 7 9.054 -6.055 4.326 1.00 42.32 C ATOM 84 C ALA A 7 9.960 -5.494 5.417 1.00 63.41 C ATOM 85 O ALA A 7 9.583 -5.449 6.588 1.00 4.21 O ATOM 86 CB ALA A 7 9.610 -7.370 3.800 1.00 55.14 C ATOM 0 H ALA A 7 9.449 -5.313 2.405 1.00 15.12 H new ATOM 0 HA ALA A 7 8.072 -6.237 4.763 1.00 42.32 H new ATOM 0 HB1 ALA A 7 9.724 -8.073 4.625 1.00 55.14 H new ATOM 0 HB2 ALA A 7 8.925 -7.785 3.061 1.00 55.14 H new ATOM 0 HB3 ALA A 7 10.581 -7.195 3.336 1.00 55.14 H new ATOM 92 N PHE A 8 11.157 -5.069 5.025 1.00 30.43 N ATOM 93 CA PHE A 8 12.118 -4.514 5.971 1.00 51.51 C ATOM 94 C PHE A 8 11.480 -3.410 6.810 1.00 75.32 C ATOM 95 O PHE A 8 11.611 -3.392 8.034 1.00 51.23 O ATOM 96 CB PHE A 8 13.337 -3.964 5.228 1.00 42.23 C ATOM 97 CG PHE A 8 13.988 -4.967 4.320 1.00 65.53 C ATOM 98 CD1 PHE A 8 14.190 -6.272 4.739 1.00 22.50 C ATOM 99 CD2 PHE A 8 14.399 -4.606 3.047 1.00 44.41 C ATOM 100 CE1 PHE A 8 14.789 -7.199 3.906 1.00 51.32 C ATOM 101 CE2 PHE A 8 14.998 -5.527 2.209 1.00 22.51 C ATOM 102 CZ PHE A 8 15.194 -6.825 2.640 1.00 63.25 C ATOM 0 H PHE A 8 11.484 -5.098 4.059 1.00 30.43 H new ATOM 0 HA PHE A 8 12.438 -5.315 6.638 1.00 51.51 H new ATOM 0 HB2 PHE A 8 13.034 -3.097 4.641 1.00 42.23 H new ATOM 0 HB3 PHE A 8 14.070 -3.616 5.956 1.00 42.23 H new ATOM 0 HD1 PHE A 8 13.876 -6.569 5.729 1.00 22.50 H new ATOM 0 HD2 PHE A 8 14.249 -3.592 2.706 1.00 44.41 H new ATOM 0 HE1 PHE A 8 14.940 -8.213 4.245 1.00 51.32 H new ATOM 0 HE2 PHE A 8 15.313 -5.233 1.219 1.00 22.51 H new ATOM 0 HZ PHE A 8 15.663 -7.546 1.987 1.00 63.25 H new ATOM 112 N ARG A 9 10.789 -2.492 6.142 1.00 34.20 N ATOM 113 CA ARG A 9 10.131 -1.384 6.825 1.00 62.43 C ATOM 114 C ARG A 9 9.116 -1.898 7.842 1.00 70.05 C ATOM 115 O ARG A 9 8.938 -1.309 8.907 1.00 21.44 O ATOM 116 CB ARG A 9 9.437 -0.472 5.811 1.00 23.53 C ATOM 117 CG ARG A 9 8.316 -1.155 5.045 1.00 21.22 C ATOM 118 CD ARG A 9 7.579 -0.175 4.146 1.00 35.41 C ATOM 119 NE ARG A 9 7.025 0.947 4.898 1.00 14.32 N ATOM 120 CZ ARG A 9 6.276 1.899 4.353 1.00 51.33 C ATOM 121 NH1 ARG A 9 5.993 1.864 3.058 1.00 53.30 N ATOM 122 NH2 ARG A 9 5.808 2.889 5.103 1.00 22.30 N ATOM 0 H ARG A 9 10.670 -2.493 5.129 1.00 34.20 H new ATOM 0 HA ARG A 9 10.893 -0.813 7.355 1.00 62.43 H new ATOM 0 HB2 ARG A 9 9.033 0.396 6.332 1.00 23.53 H new ATOM 0 HB3 ARG A 9 10.177 -0.102 5.102 1.00 23.53 H new ATOM 0 HG2 ARG A 9 8.726 -1.965 4.443 1.00 21.22 H new ATOM 0 HG3 ARG A 9 7.614 -1.604 5.748 1.00 21.22 H new ATOM 0 HD2 ARG A 9 8.261 0.201 3.384 1.00 35.41 H new ATOM 0 HD3 ARG A 9 6.775 -0.695 3.625 1.00 35.41 H new ATOM 0 HE ARG A 9 7.224 1.003 5.897 1.00 14.32 H new ATOM 0 HH11 ARG A 9 6.351 1.105 2.478 1.00 53.30 H new ATOM 0 HH12 ARG A 9 5.418 2.596 2.642 1.00 53.30 H new ATOM 0 HH21 ARG A 9 6.023 2.920 6.100 1.00 22.30 H new ATOM 0 HH22 ARG A 9 5.233 3.619 4.683 1.00 22.30 H new ATOM 136 N ALA A 10 8.453 -2.999 7.503 1.00 13.14 N ATOM 137 CA ALA A 10 7.457 -3.592 8.387 1.00 72.41 C ATOM 138 C ALA A 10 8.116 -4.244 9.598 1.00 12.51 C ATOM 139 O ALA A 10 7.509 -4.350 10.664 1.00 11.12 O ATOM 140 CB ALA A 10 6.619 -4.611 7.629 1.00 54.14 C ATOM 0 H ALA A 10 8.587 -3.498 6.623 1.00 13.14 H new ATOM 0 HA ALA A 10 6.805 -2.795 8.745 1.00 72.41 H new ATOM 0 HB1 ALA A 10 5.879 -5.046 8.301 1.00 54.14 H new ATOM 0 HB2 ALA A 10 6.111 -4.119 6.799 1.00 54.14 H new ATOM 0 HB3 ALA A 10 7.266 -5.399 7.243 1.00 54.14 H new ATOM 146 N ILE A 11 9.360 -4.678 9.427 1.00 52.03 N ATOM 147 CA ILE A 11 10.100 -5.318 10.507 1.00 64.34 C ATOM 148 C ILE A 11 10.400 -4.330 11.629 1.00 70.41 C ATOM 149 O ILE A 11 10.442 -4.702 12.801 1.00 33.31 O ATOM 150 CB ILE A 11 11.425 -5.921 10.001 1.00 15.21 C ATOM 151 CG1 ILE A 11 11.149 -7.073 9.033 1.00 41.02 C ATOM 152 CG2 ILE A 11 12.271 -6.397 11.172 1.00 0.32 C ATOM 153 CD1 ILE A 11 10.460 -8.254 9.679 1.00 31.14 C ATOM 0 H ILE A 11 9.876 -4.598 8.551 1.00 52.03 H new ATOM 0 HA ILE A 11 9.468 -6.119 10.891 1.00 64.34 H new ATOM 0 HB ILE A 11 11.979 -5.148 9.468 1.00 15.21 H new ATOM 0 HG12 ILE A 11 10.532 -6.707 8.212 1.00 41.02 H new ATOM 0 HG13 ILE A 11 12.092 -7.406 8.599 1.00 41.02 H new ATOM 0 HG21 ILE A 11 13.204 -6.820 10.799 1.00 0.32 H new ATOM 0 HG22 ILE A 11 12.492 -5.555 11.828 1.00 0.32 H new ATOM 0 HG23 ILE A 11 11.725 -7.158 11.730 1.00 0.32 H new ATOM 0 HD11 ILE A 11 10.296 -9.032 8.933 1.00 31.14 H new ATOM 0 HD12 ILE A 11 11.085 -8.646 10.481 1.00 31.14 H new ATOM 0 HD13 ILE A 11 9.501 -7.936 10.089 1.00 31.14 H new ATOM 165 N GLU A 12 10.606 -3.070 11.261 1.00 41.31 N ATOM 166 CA GLU A 12 10.901 -2.028 12.238 1.00 52.13 C ATOM 167 C GLU A 12 9.780 -1.915 13.267 1.00 0.41 C ATOM 168 O GLU A 12 10.027 -1.642 14.442 1.00 42.10 O ATOM 169 CB GLU A 12 11.102 -0.683 11.537 1.00 43.22 C ATOM 170 CG GLU A 12 11.704 0.386 12.433 1.00 44.31 C ATOM 171 CD GLU A 12 12.500 1.418 11.657 1.00 70.12 C ATOM 172 OE1 GLU A 12 13.522 1.041 11.046 1.00 40.12 O ATOM 173 OE2 GLU A 12 12.101 2.601 11.660 1.00 2.25 O ATOM 0 H GLU A 12 10.574 -2.746 10.294 1.00 41.31 H new ATOM 0 HA GLU A 12 11.821 -2.301 12.756 1.00 52.13 H new ATOM 0 HB2 GLU A 12 11.749 -0.827 10.672 1.00 43.22 H new ATOM 0 HB3 GLU A 12 10.141 -0.331 11.161 1.00 43.22 H new ATOM 0 HG2 GLU A 12 10.906 0.886 12.982 1.00 44.31 H new ATOM 0 HG3 GLU A 12 12.352 -0.087 13.171 1.00 44.31 H new ATOM 180 N ARG A 13 8.548 -2.125 12.817 1.00 75.41 N ATOM 181 CA ARG A 13 7.388 -2.045 13.697 1.00 23.34 C ATOM 182 C ARG A 13 7.299 -3.278 14.592 1.00 71.20 C ATOM 183 O ARG A 13 6.983 -3.176 15.777 1.00 41.10 O ATOM 184 CB ARG A 13 6.106 -1.904 12.876 1.00 73.34 C ATOM 185 CG ARG A 13 5.246 -0.720 13.287 1.00 60.22 C ATOM 186 CD ARG A 13 5.720 0.567 12.630 1.00 30.03 C ATOM 187 NE ARG A 13 5.067 1.743 13.198 1.00 52.53 N ATOM 188 CZ ARG A 13 3.850 2.147 12.851 1.00 15.03 C ATOM 189 NH1 ARG A 13 3.157 1.472 11.945 1.00 73.24 N ATOM 190 NH2 ARG A 13 3.323 3.228 13.413 1.00 73.24 N ATOM 0 H ARG A 13 8.327 -2.352 11.848 1.00 75.41 H new ATOM 0 HA ARG A 13 7.504 -1.165 14.330 1.00 23.34 H new ATOM 0 HB2 ARG A 13 6.368 -1.803 11.823 1.00 73.34 H new ATOM 0 HB3 ARG A 13 5.520 -2.818 12.973 1.00 73.34 H new ATOM 0 HG2 ARG A 13 4.208 -0.910 13.012 1.00 60.22 H new ATOM 0 HG3 ARG A 13 5.273 -0.608 14.371 1.00 60.22 H new ATOM 0 HD2 ARG A 13 6.800 0.659 12.749 1.00 30.03 H new ATOM 0 HD3 ARG A 13 5.520 0.523 11.559 1.00 30.03 H new ATOM 0 HE ARG A 13 5.573 2.284 13.899 1.00 52.53 H new ATOM 0 HH11 ARG A 13 3.558 0.640 11.512 1.00 73.24 H new ATOM 0 HH12 ARG A 13 2.223 1.785 11.681 1.00 73.24 H new ATOM 0 HH21 ARG A 13 3.853 3.749 14.112 1.00 73.24 H new ATOM 0 HH22 ARG A 13 2.388 3.538 13.146 1.00 73.24 H new ATOM 204 N ALA A 14 7.579 -4.443 14.016 1.00 52.43 N ATOM 205 CA ALA A 14 7.531 -5.695 14.761 1.00 45.43 C ATOM 206 C ALA A 14 8.370 -5.609 16.032 1.00 71.24 C ATOM 207 O ALA A 14 7.897 -5.933 17.121 1.00 32.23 O ATOM 208 CB ALA A 14 8.008 -6.846 13.888 1.00 20.31 C ATOM 0 H ALA A 14 7.841 -4.545 13.036 1.00 52.43 H new ATOM 0 HA ALA A 14 6.496 -5.878 15.051 1.00 45.43 H new ATOM 0 HB1 ALA A 14 7.967 -7.775 14.457 1.00 20.31 H new ATOM 0 HB2 ALA A 14 7.365 -6.928 13.011 1.00 20.31 H new ATOM 0 HB3 ALA A 14 9.034 -6.660 13.570 1.00 20.31 H new ATOM 214 N ILE A 15 9.616 -5.172 15.884 1.00 20.34 N ATOM 215 CA ILE A 15 10.519 -5.044 17.021 1.00 24.41 C ATOM 216 C ILE A 15 10.041 -3.964 17.985 1.00 51.22 C ATOM 217 O ILE A 15 10.187 -4.094 19.200 1.00 75.12 O ATOM 218 CB ILE A 15 11.953 -4.713 16.566 1.00 0.33 C ATOM 219 CG1 ILE A 15 12.882 -4.601 17.777 1.00 43.53 C ATOM 220 CG2 ILE A 15 11.968 -3.423 15.759 1.00 34.13 C ATOM 221 CD1 ILE A 15 14.041 -5.572 17.741 1.00 42.12 C ATOM 0 H ILE A 15 10.023 -4.901 14.989 1.00 20.34 H new ATOM 0 HA ILE A 15 10.521 -6.007 17.532 1.00 24.41 H new ATOM 0 HB ILE A 15 12.312 -5.521 15.929 1.00 0.33 H new ATOM 0 HG12 ILE A 15 13.272 -3.585 17.833 1.00 43.53 H new ATOM 0 HG13 ILE A 15 12.304 -4.771 18.685 1.00 43.53 H new ATOM 0 HG21 ILE A 15 12.988 -3.202 15.445 1.00 34.13 H new ATOM 0 HG22 ILE A 15 11.334 -3.536 14.880 1.00 34.13 H new ATOM 0 HG23 ILE A 15 11.593 -2.605 16.374 1.00 34.13 H new ATOM 0 HD11 ILE A 15 14.657 -5.436 18.630 1.00 42.12 H new ATOM 0 HD12 ILE A 15 13.660 -6.593 17.716 1.00 42.12 H new ATOM 0 HD13 ILE A 15 14.643 -5.388 16.851 1.00 42.12 H new ATOM 233 N GLN A 16 9.468 -2.899 17.434 1.00 42.44 N ATOM 234 CA GLN A 16 8.967 -1.796 18.245 1.00 11.31 C ATOM 235 C GLN A 16 7.927 -2.286 19.247 1.00 12.01 C ATOM 236 O GLN A 16 7.722 -1.673 20.294 1.00 51.50 O ATOM 237 CB GLN A 16 8.361 -0.712 17.352 1.00 53.11 C ATOM 238 CG GLN A 16 9.345 0.382 16.969 1.00 31.40 C ATOM 239 CD GLN A 16 9.001 1.720 17.592 1.00 43.30 C ATOM 240 OE1 GLN A 16 9.265 1.955 18.771 1.00 4.25 O ATOM 241 NE2 GLN A 16 8.409 2.607 16.801 1.00 51.12 N ATOM 0 H GLN A 16 9.339 -2.777 16.430 1.00 42.44 H new ATOM 0 HA GLN A 16 9.807 -1.374 18.797 1.00 11.31 H new ATOM 0 HB2 GLN A 16 7.974 -1.175 16.444 1.00 53.11 H new ATOM 0 HB3 GLN A 16 7.512 -0.262 17.867 1.00 53.11 H new ATOM 0 HG2 GLN A 16 10.348 0.088 17.279 1.00 31.40 H new ATOM 0 HG3 GLN A 16 9.364 0.485 15.884 1.00 31.40 H new ATOM 0 HE21 GLN A 16 8.209 2.370 15.829 1.00 51.12 H new ATOM 0 HE22 GLN A 16 8.155 3.525 17.165 1.00 51.12 H new ATOM 250 N ALA A 17 7.273 -3.395 18.918 1.00 34.14 N ATOM 251 CA ALA A 17 6.255 -3.969 19.790 1.00 11.53 C ATOM 252 C ALA A 17 6.785 -4.147 21.209 1.00 14.31 C ATOM 253 O ALA A 17 6.117 -3.789 22.179 1.00 25.43 O ATOM 254 CB ALA A 17 5.772 -5.300 19.234 1.00 44.11 C ATOM 0 H ALA A 17 7.430 -3.914 18.054 1.00 34.14 H new ATOM 0 HA ALA A 17 5.413 -3.278 19.828 1.00 11.53 H new ATOM 0 HB1 ALA A 17 5.012 -5.717 19.896 1.00 44.11 H new ATOM 0 HB2 ALA A 17 5.345 -5.147 18.243 1.00 44.11 H new ATOM 0 HB3 ALA A 17 6.612 -5.992 19.165 1.00 44.11 H new ATOM 260 N GLU A 18 7.987 -4.702 21.322 1.00 62.14 N ATOM 261 CA GLU A 18 8.605 -4.929 22.623 1.00 15.41 C ATOM 262 C GLU A 18 7.781 -5.910 23.452 1.00 25.51 C ATOM 263 O GLU A 18 7.294 -5.573 24.530 1.00 5.21 O ATOM 264 CB GLU A 18 8.754 -3.606 23.379 1.00 60.44 C ATOM 265 CG GLU A 18 9.369 -2.495 22.545 1.00 62.23 C ATOM 266 CD GLU A 18 10.623 -1.919 23.174 1.00 15.23 C ATOM 267 OE1 GLU A 18 10.597 -1.627 24.388 1.00 0.20 O ATOM 268 OE2 GLU A 18 11.629 -1.760 22.452 1.00 22.23 O ATOM 0 H GLU A 18 8.553 -5.003 20.528 1.00 62.14 H new ATOM 0 HA GLU A 18 9.593 -5.359 22.458 1.00 15.41 H new ATOM 0 HB2 GLU A 18 7.773 -3.285 23.730 1.00 60.44 H new ATOM 0 HB3 GLU A 18 9.371 -3.770 24.263 1.00 60.44 H new ATOM 0 HG2 GLU A 18 9.608 -2.880 21.554 1.00 62.23 H new ATOM 0 HG3 GLU A 18 8.636 -1.699 22.410 1.00 62.23 H new ATOM 275 N ASN A 19 7.631 -7.127 22.940 1.00 73.45 N ATOM 276 CA ASN A 19 6.866 -8.159 23.631 1.00 11.32 C ATOM 277 C ASN A 19 5.402 -7.751 23.768 1.00 2.41 C ATOM 278 O ASN A 19 5.060 -6.897 24.586 1.00 71.31 O ATOM 279 CB ASN A 19 7.464 -8.425 25.014 1.00 60.50 C ATOM 280 CG ASN A 19 7.006 -9.748 25.597 1.00 73.42 C ATOM 281 OD1 ASN A 19 7.230 -10.808 25.012 1.00 62.11 O ATOM 282 ND2 ASN A 19 6.359 -9.692 26.755 1.00 21.03 N ATOM 0 H ASN A 19 8.029 -7.423 22.049 1.00 73.45 H new ATOM 0 HA ASN A 19 6.916 -9.072 23.038 1.00 11.32 H new ATOM 0 HB2 ASN A 19 8.552 -8.419 24.944 1.00 60.50 H new ATOM 0 HB3 ASN A 19 7.184 -7.617 25.690 1.00 60.50 H new ATOM 0 HD21 ASN A 19 6.026 -10.550 27.195 1.00 21.03 H new ATOM 0 HD22 ASN A 19 6.195 -8.791 27.205 1.00 21.03 H new ATOM 289 N GLU A 20 4.544 -8.367 22.962 1.00 74.21 N ATOM 290 CA GLU A 20 3.117 -8.067 22.993 1.00 31.45 C ATOM 291 C GLU A 20 2.303 -9.240 22.455 1.00 75.13 C ATOM 292 O GLU A 20 1.280 -9.615 23.027 1.00 22.12 O ATOM 293 CB GLU A 20 2.820 -6.808 22.177 1.00 14.11 C ATOM 294 CG GLU A 20 2.964 -5.520 22.970 1.00 31.14 C ATOM 295 CD GLU A 20 2.150 -4.381 22.387 1.00 31.44 C ATOM 296 OE1 GLU A 20 1.880 -4.409 21.168 1.00 23.22 O ATOM 297 OE2 GLU A 20 1.783 -3.463 23.149 1.00 11.23 O ATOM 0 H GLU A 20 4.811 -9.077 22.280 1.00 74.21 H new ATOM 0 HA GLU A 20 2.830 -7.894 24.030 1.00 31.45 H new ATOM 0 HB2 GLU A 20 3.492 -6.774 21.320 1.00 14.11 H new ATOM 0 HB3 GLU A 20 1.805 -6.871 21.784 1.00 14.11 H new ATOM 0 HG2 GLU A 20 2.652 -5.695 24.000 1.00 31.14 H new ATOM 0 HG3 GLU A 20 4.015 -5.232 23.000 1.00 31.14 H new ATOM 304 N GLY A 21 2.764 -9.815 21.348 1.00 1.10 N ATOM 305 CA GLY A 21 2.067 -10.938 20.749 1.00 31.14 C ATOM 306 C GLY A 21 1.868 -10.768 19.256 1.00 11.14 C ATOM 307 O GLY A 21 1.600 -11.736 18.545 1.00 75.12 O ATOM 0 H GLY A 21 3.608 -9.523 20.855 1.00 1.10 H new ATOM 0 HA2 GLY A 21 2.630 -11.852 20.935 1.00 31.14 H new ATOM 0 HA3 GLY A 21 1.096 -11.058 21.230 1.00 31.14 H new ATOM 311 N ARG A 22 1.998 -9.534 18.781 1.00 51.25 N ATOM 312 CA ARG A 22 1.828 -9.240 17.363 1.00 54.22 C ATOM 313 C ARG A 22 3.064 -9.653 16.569 1.00 33.24 C ATOM 314 O ARG A 22 2.983 -9.925 15.371 1.00 13.52 O ATOM 315 CB ARG A 22 1.553 -7.749 17.159 1.00 53.22 C ATOM 316 CG ARG A 22 1.110 -7.399 15.748 1.00 55.33 C ATOM 317 CD ARG A 22 1.963 -6.288 15.155 1.00 21.31 C ATOM 318 NE ARG A 22 1.159 -5.307 14.431 1.00 63.42 N ATOM 319 CZ ARG A 22 0.428 -4.372 15.027 1.00 61.20 C ATOM 320 NH1 ARG A 22 0.400 -4.291 16.350 1.00 20.31 N ATOM 321 NH2 ARG A 22 -0.277 -3.515 14.299 1.00 24.23 N ATOM 0 H ARG A 22 2.220 -8.722 19.357 1.00 51.25 H new ATOM 0 HA ARG A 22 0.975 -9.813 16.999 1.00 54.22 H new ATOM 0 HB2 ARG A 22 0.783 -7.431 17.862 1.00 53.22 H new ATOM 0 HB3 ARG A 22 2.455 -7.186 17.398 1.00 53.22 H new ATOM 0 HG2 ARG A 22 1.173 -8.285 15.116 1.00 55.33 H new ATOM 0 HG3 ARG A 22 0.065 -7.090 15.760 1.00 55.33 H new ATOM 0 HD2 ARG A 22 2.513 -5.788 15.953 1.00 21.31 H new ATOM 0 HD3 ARG A 22 2.702 -6.720 14.480 1.00 21.31 H new ATOM 0 HE ARG A 22 1.159 -5.342 13.412 1.00 63.42 H new ATOM 0 HH11 ARG A 22 0.941 -4.948 16.913 1.00 20.31 H new ATOM 0 HH12 ARG A 22 -0.162 -3.572 16.805 1.00 20.31 H new ATOM 0 HH21 ARG A 22 -0.258 -3.574 13.281 1.00 24.23 H new ATOM 0 HH22 ARG A 22 -0.838 -2.797 14.758 1.00 24.23 H new ATOM 335 N TYR A 23 4.206 -9.698 17.246 1.00 62.45 N ATOM 336 CA TYR A 23 5.460 -10.076 16.604 1.00 52.35 C ATOM 337 C TYR A 23 5.312 -11.396 15.854 1.00 22.53 C ATOM 338 O TYR A 23 5.848 -11.565 14.759 1.00 51.44 O ATOM 339 CB TYR A 23 6.576 -10.188 17.643 1.00 31.34 C ATOM 340 CG TYR A 23 6.280 -11.182 18.744 1.00 12.43 C ATOM 341 CD1 TYR A 23 5.585 -10.798 19.885 1.00 70.34 C ATOM 342 CD2 TYR A 23 6.694 -12.504 18.643 1.00 23.13 C ATOM 343 CE1 TYR A 23 5.313 -11.702 20.893 1.00 21.31 C ATOM 344 CE2 TYR A 23 6.426 -13.415 19.646 1.00 34.42 C ATOM 345 CZ TYR A 23 5.735 -13.010 20.769 1.00 2.42 C ATOM 346 OH TYR A 23 5.465 -13.914 21.771 1.00 41.40 O ATOM 0 H TYR A 23 4.290 -9.478 18.238 1.00 62.45 H new ATOM 0 HA TYR A 23 5.720 -9.299 15.885 1.00 52.35 H new ATOM 0 HB2 TYR A 23 7.500 -10.478 17.142 1.00 31.34 H new ATOM 0 HB3 TYR A 23 6.748 -9.207 18.087 1.00 31.34 H new ATOM 0 HD1 TYR A 23 5.252 -9.775 19.985 1.00 70.34 H new ATOM 0 HD2 TYR A 23 7.235 -12.825 17.765 1.00 23.13 H new ATOM 0 HE1 TYR A 23 4.773 -11.387 21.774 1.00 21.31 H new ATOM 0 HE2 TYR A 23 6.756 -14.439 19.551 1.00 34.42 H new ATOM 0 HH TYR A 23 5.829 -14.791 21.528 1.00 41.40 H new ATOM 356 N ARG A 24 4.581 -12.331 16.454 1.00 42.45 N ATOM 357 CA ARG A 24 4.363 -13.637 15.845 1.00 74.15 C ATOM 358 C ARG A 24 3.847 -13.492 14.416 1.00 44.54 C ATOM 359 O ARG A 24 4.423 -14.045 13.479 1.00 0.24 O ATOM 360 CB ARG A 24 3.369 -14.451 16.676 1.00 62.13 C ATOM 361 CG ARG A 24 3.107 -15.842 16.121 1.00 1.14 C ATOM 362 CD ARG A 24 1.828 -15.882 15.300 1.00 32.32 C ATOM 363 NE ARG A 24 2.083 -16.234 13.906 1.00 43.11 N ATOM 364 CZ ARG A 24 2.379 -17.464 13.501 1.00 42.25 C ATOM 365 NH1 ARG A 24 2.456 -18.454 14.378 1.00 30.35 N ATOM 366 NH2 ARG A 24 2.598 -17.705 12.214 1.00 5.12 N ATOM 0 H ARG A 24 4.130 -12.208 17.361 1.00 42.45 H new ATOM 0 HA ARG A 24 5.319 -14.160 15.817 1.00 74.15 H new ATOM 0 HB2 ARG A 24 3.747 -14.541 17.694 1.00 62.13 H new ATOM 0 HB3 ARG A 24 2.426 -13.908 16.733 1.00 62.13 H new ATOM 0 HG2 ARG A 24 3.948 -16.152 15.501 1.00 1.14 H new ATOM 0 HG3 ARG A 24 3.036 -16.555 16.942 1.00 1.14 H new ATOM 0 HD2 ARG A 24 1.140 -16.606 15.736 1.00 32.32 H new ATOM 0 HD3 ARG A 24 1.338 -14.909 15.344 1.00 32.32 H new ATOM 0 HE ARG A 24 2.031 -15.495 13.205 1.00 43.11 H new ATOM 0 HH11 ARG A 24 2.288 -18.273 15.368 1.00 30.35 H new ATOM 0 HH12 ARG A 24 2.683 -19.397 14.064 1.00 30.35 H new ATOM 0 HH21 ARG A 24 2.539 -16.946 11.536 1.00 5.12 H new ATOM 0 HH22 ARG A 24 2.825 -18.650 11.904 1.00 5.12 H new ATOM 380 N GLU A 25 2.760 -12.744 14.257 1.00 14.14 N ATOM 381 CA GLU A 25 2.167 -12.527 12.943 1.00 71.42 C ATOM 382 C GLU A 25 2.995 -11.537 12.129 1.00 60.20 C ATOM 383 O GLU A 25 2.981 -11.564 10.899 1.00 41.12 O ATOM 384 CB GLU A 25 0.732 -12.015 13.084 1.00 43.51 C ATOM 385 CG GLU A 25 -0.148 -12.899 13.952 1.00 44.54 C ATOM 386 CD GLU A 25 -0.639 -14.132 13.219 1.00 41.33 C ATOM 387 OE1 GLU A 25 0.182 -14.785 12.542 1.00 64.23 O ATOM 388 OE2 GLU A 25 -1.844 -14.443 13.322 1.00 63.25 O ATOM 0 H GLU A 25 2.272 -12.278 15.022 1.00 14.14 H new ATOM 0 HA GLU A 25 2.154 -13.482 12.417 1.00 71.42 H new ATOM 0 HB2 GLU A 25 0.754 -11.011 13.507 1.00 43.51 H new ATOM 0 HB3 GLU A 25 0.285 -11.934 12.093 1.00 43.51 H new ATOM 0 HG2 GLU A 25 0.411 -13.205 14.836 1.00 44.54 H new ATOM 0 HG3 GLU A 25 -1.005 -12.322 14.300 1.00 44.54 H new ATOM 395 N ALA A 26 3.715 -10.664 12.826 1.00 60.04 N ATOM 396 CA ALA A 26 4.550 -9.666 12.169 1.00 63.10 C ATOM 397 C ALA A 26 5.580 -10.326 11.258 1.00 53.44 C ATOM 398 O ALA A 26 5.728 -9.947 10.095 1.00 75.23 O ATOM 399 CB ALA A 26 5.242 -8.793 13.205 1.00 43.31 C ATOM 0 H ALA A 26 3.737 -10.628 13.845 1.00 60.04 H new ATOM 0 HA ALA A 26 3.907 -9.039 11.552 1.00 63.10 H new ATOM 0 HB1 ALA A 26 5.862 -8.052 12.701 1.00 43.31 H new ATOM 0 HB2 ALA A 26 4.492 -8.286 13.812 1.00 43.31 H new ATOM 0 HB3 ALA A 26 5.868 -9.415 13.845 1.00 43.31 H new ATOM 405 N LEU A 27 6.290 -11.313 11.792 1.00 11.22 N ATOM 406 CA LEU A 27 7.307 -12.025 11.027 1.00 61.23 C ATOM 407 C LEU A 27 6.689 -12.730 9.824 1.00 71.05 C ATOM 408 O LEU A 27 7.278 -12.771 8.743 1.00 4.44 O ATOM 409 CB LEU A 27 8.023 -13.043 11.916 1.00 30.31 C ATOM 410 CG LEU A 27 9.296 -12.553 12.607 1.00 14.24 C ATOM 411 CD1 LEU A 27 9.795 -13.588 13.603 1.00 31.04 C ATOM 412 CD2 LEU A 27 10.372 -12.236 11.580 1.00 44.11 C ATOM 0 H LEU A 27 6.180 -11.639 12.752 1.00 11.22 H new ATOM 0 HA LEU A 27 8.031 -11.295 10.665 1.00 61.23 H new ATOM 0 HB2 LEU A 27 7.325 -13.381 12.682 1.00 30.31 H new ATOM 0 HB3 LEU A 27 8.275 -13.912 11.308 1.00 30.31 H new ATOM 0 HG LEU A 27 9.062 -11.638 13.152 1.00 14.24 H new ATOM 0 HD11 LEU A 27 10.702 -13.222 14.085 1.00 31.04 H new ATOM 0 HD12 LEU A 27 9.029 -13.765 14.358 1.00 31.04 H new ATOM 0 HD13 LEU A 27 10.013 -14.520 13.081 1.00 31.04 H new ATOM 0 HD21 LEU A 27 11.271 -11.889 12.090 1.00 44.11 H new ATOM 0 HD22 LEU A 27 10.604 -13.134 11.007 1.00 44.11 H new ATOM 0 HD23 LEU A 27 10.014 -11.458 10.906 1.00 44.11 H new ATOM 424 N LYS A 28 5.496 -13.283 10.017 1.00 41.34 N ATOM 425 CA LYS A 28 4.795 -13.983 8.947 1.00 33.23 C ATOM 426 C LYS A 28 4.709 -13.117 7.694 1.00 21.44 C ATOM 427 O LYS A 28 5.018 -13.571 6.592 1.00 3.20 O ATOM 428 CB LYS A 28 3.389 -14.378 9.405 1.00 54.43 C ATOM 429 CG LYS A 28 2.762 -15.478 8.565 1.00 2.33 C ATOM 430 CD LYS A 28 1.330 -15.141 8.184 1.00 64.31 C ATOM 431 CE LYS A 28 0.661 -16.297 7.456 1.00 43.02 C ATOM 432 NZ LYS A 28 -0.815 -16.122 7.377 1.00 75.40 N ATOM 0 H LYS A 28 4.994 -13.260 10.905 1.00 41.34 H new ATOM 0 HA LYS A 28 5.359 -14.884 8.705 1.00 33.23 H new ATOM 0 HB2 LYS A 28 3.433 -14.706 10.444 1.00 54.43 H new ATOM 0 HB3 LYS A 28 2.746 -13.498 9.375 1.00 54.43 H new ATOM 0 HG2 LYS A 28 3.354 -15.630 7.662 1.00 2.33 H new ATOM 0 HG3 LYS A 28 2.781 -16.416 9.120 1.00 2.33 H new ATOM 0 HD2 LYS A 28 0.761 -14.897 9.081 1.00 64.31 H new ATOM 0 HD3 LYS A 28 1.320 -14.255 7.549 1.00 64.31 H new ATOM 0 HE2 LYS A 28 1.071 -16.379 6.450 1.00 43.02 H new ATOM 0 HE3 LYS A 28 0.889 -17.231 7.970 1.00 43.02 H new ATOM 0 HZ1 LYS A 28 -1.234 -16.930 6.874 1.00 75.40 H new ATOM 0 HZ2 LYS A 28 -1.210 -16.069 8.338 1.00 75.40 H new ATOM 0 HZ3 LYS A 28 -1.034 -15.244 6.864 1.00 75.40 H new ATOM 446 N HIS A 29 4.289 -11.869 7.871 1.00 52.30 N ATOM 447 CA HIS A 29 4.165 -10.939 6.754 1.00 12.32 C ATOM 448 C HIS A 29 5.502 -10.766 6.040 1.00 1.44 C ATOM 449 O HIS A 29 5.546 -10.498 4.839 1.00 22.43 O ATOM 450 CB HIS A 29 3.657 -9.583 7.246 1.00 73.10 C ATOM 451 CG HIS A 29 2.169 -9.524 7.407 1.00 52.53 C ATOM 452 ND1 HIS A 29 1.538 -8.635 8.252 1.00 41.14 N ATOM 453 CD2 HIS A 29 1.186 -10.248 6.823 1.00 34.13 C ATOM 454 CE1 HIS A 29 0.231 -8.817 8.182 1.00 5.43 C ATOM 455 NE2 HIS A 29 -0.009 -9.790 7.322 1.00 2.31 N ATOM 0 H HIS A 29 4.029 -11.478 8.776 1.00 52.30 H new ATOM 0 HA HIS A 29 3.446 -11.353 6.047 1.00 12.32 H new ATOM 0 HB2 HIS A 29 4.127 -9.353 8.202 1.00 73.10 H new ATOM 0 HB3 HIS A 29 3.969 -8.810 6.543 1.00 73.10 H new ATOM 0 HD2 HIS A 29 1.317 -11.039 6.099 1.00 34.13 H new ATOM 0 HE1 HIS A 29 -0.514 -8.264 8.734 1.00 5.43 H new ATOM 0 HE2 HIS A 29 -0.932 -10.144 7.069 1.00 2.31 H new ATOM 463 N PHE A 30 6.590 -10.919 6.788 1.00 43.25 N ATOM 464 CA PHE A 30 7.929 -10.778 6.226 1.00 11.45 C ATOM 465 C PHE A 30 8.334 -12.035 5.463 1.00 51.03 C ATOM 466 O PHE A 30 8.938 -11.957 4.392 1.00 75.42 O ATOM 467 CB PHE A 30 8.943 -10.493 7.337 1.00 52.25 C ATOM 468 CG PHE A 30 10.314 -10.157 6.824 1.00 22.32 C ATOM 469 CD1 PHE A 30 10.627 -8.864 6.439 1.00 52.43 C ATOM 470 CD2 PHE A 30 11.291 -11.135 6.729 1.00 71.35 C ATOM 471 CE1 PHE A 30 11.888 -8.553 5.966 1.00 12.52 C ATOM 472 CE2 PHE A 30 12.554 -10.830 6.257 1.00 31.01 C ATOM 473 CZ PHE A 30 12.853 -9.537 5.876 1.00 11.44 C ATOM 0 H PHE A 30 6.571 -11.140 7.784 1.00 43.25 H new ATOM 0 HA PHE A 30 7.917 -9.940 5.529 1.00 11.45 H new ATOM 0 HB2 PHE A 30 8.579 -9.666 7.947 1.00 52.25 H new ATOM 0 HB3 PHE A 30 9.011 -11.364 7.989 1.00 52.25 H new ATOM 0 HD1 PHE A 30 9.877 -8.090 6.509 1.00 52.43 H new ATOM 0 HD2 PHE A 30 11.063 -12.148 7.027 1.00 71.35 H new ATOM 0 HE1 PHE A 30 12.119 -7.541 5.667 1.00 12.52 H new ATOM 0 HE2 PHE A 30 13.306 -11.602 6.186 1.00 31.01 H new ATOM 0 HZ PHE A 30 13.839 -9.296 5.508 1.00 11.44 H new ATOM 483 N LEU A 31 7.998 -13.193 6.021 1.00 3.30 N ATOM 484 CA LEU A 31 8.327 -14.468 5.394 1.00 72.21 C ATOM 485 C LEU A 31 7.732 -14.555 3.992 1.00 34.12 C ATOM 486 O LEU A 31 8.283 -15.217 3.113 1.00 44.44 O ATOM 487 CB LEU A 31 7.814 -15.627 6.251 1.00 62.23 C ATOM 488 CG LEU A 31 8.699 -16.033 7.430 1.00 43.22 C ATOM 489 CD1 LEU A 31 7.865 -16.673 8.528 1.00 13.33 C ATOM 490 CD2 LEU A 31 9.797 -16.981 6.971 1.00 64.02 C ATOM 0 H LEU A 31 7.498 -13.275 6.906 1.00 3.30 H new ATOM 0 HA LEU A 31 9.412 -14.536 5.313 1.00 72.21 H new ATOM 0 HB2 LEU A 31 6.830 -15.360 6.636 1.00 62.23 H new ATOM 0 HB3 LEU A 31 7.679 -16.496 5.608 1.00 62.23 H new ATOM 0 HG LEU A 31 9.167 -15.135 7.834 1.00 43.22 H new ATOM 0 HD11 LEU A 31 8.512 -16.955 9.359 1.00 13.33 H new ATOM 0 HD12 LEU A 31 7.116 -15.962 8.877 1.00 13.33 H new ATOM 0 HD13 LEU A 31 7.368 -17.561 8.137 1.00 13.33 H new ATOM 0 HD21 LEU A 31 10.417 -17.259 7.823 1.00 64.02 H new ATOM 0 HD22 LEU A 31 9.348 -17.876 6.541 1.00 64.02 H new ATOM 0 HD23 LEU A 31 10.413 -16.487 6.220 1.00 64.02 H new ATOM 502 N ASP A 32 6.604 -13.882 3.791 1.00 4.40 N ATOM 503 CA ASP A 32 5.936 -13.880 2.495 1.00 13.20 C ATOM 504 C ASP A 32 6.724 -13.060 1.478 1.00 31.21 C ATOM 505 O ASP A 32 6.558 -13.225 0.270 1.00 13.23 O ATOM 506 CB ASP A 32 4.518 -13.322 2.630 1.00 40.25 C ATOM 507 CG ASP A 32 3.568 -13.902 1.600 1.00 14.45 C ATOM 508 OD1 ASP A 32 3.451 -13.316 0.504 1.00 51.45 O ATOM 509 OD2 ASP A 32 2.941 -14.942 1.892 1.00 42.34 O ATOM 0 H ASP A 32 6.133 -13.331 4.509 1.00 4.40 H new ATOM 0 HA ASP A 32 5.881 -14.909 2.140 1.00 13.20 H new ATOM 0 HB2 ASP A 32 4.140 -13.536 3.630 1.00 40.25 H new ATOM 0 HB3 ASP A 32 4.546 -12.237 2.525 1.00 40.25 H new ATOM 514 N GLY A 33 7.582 -12.175 1.976 1.00 24.31 N ATOM 515 CA GLY A 33 8.382 -11.342 1.097 1.00 24.34 C ATOM 516 C GLY A 33 9.452 -12.130 0.367 1.00 52.12 C ATOM 517 O GLY A 33 9.594 -12.016 -0.850 1.00 31.41 O ATOM 0 H GLY A 33 7.737 -12.020 2.972 1.00 24.31 H new ATOM 0 HA2 GLY A 33 7.731 -10.858 0.369 1.00 24.34 H new ATOM 0 HA3 GLY A 33 8.852 -10.550 1.680 1.00 24.34 H new ATOM 521 N GLY A 34 10.208 -12.931 1.112 1.00 41.51 N ATOM 522 CA GLY A 34 11.262 -13.727 0.510 1.00 13.15 C ATOM 523 C GLY A 34 10.750 -14.619 -0.603 1.00 44.35 C ATOM 524 O GLY A 34 11.453 -14.861 -1.584 1.00 72.22 O ATOM 0 H GLY A 34 10.109 -13.043 2.121 1.00 41.51 H new ATOM 0 HA2 GLY A 34 12.033 -13.065 0.116 1.00 13.15 H new ATOM 0 HA3 GLY A 34 11.732 -14.342 1.277 1.00 13.15 H new ATOM 528 N GLU A 35 9.524 -15.109 -0.451 1.00 62.23 N ATOM 529 CA GLU A 35 8.921 -15.982 -1.452 1.00 44.53 C ATOM 530 C GLU A 35 8.777 -15.258 -2.788 1.00 63.43 C ATOM 531 O GLU A 35 8.597 -15.888 -3.830 1.00 42.23 O ATOM 532 CB GLU A 35 7.553 -16.473 -0.975 1.00 51.44 C ATOM 533 CG GLU A 35 7.597 -17.197 0.359 1.00 4.05 C ATOM 534 CD GLU A 35 7.937 -18.668 0.214 1.00 0.42 C ATOM 535 OE1 GLU A 35 8.247 -19.097 -0.917 1.00 11.33 O ATOM 536 OE2 GLU A 35 7.893 -19.389 1.233 1.00 71.45 O ATOM 0 H GLU A 35 8.929 -14.917 0.355 1.00 62.23 H new ATOM 0 HA GLU A 35 9.578 -16.840 -1.592 1.00 44.53 H new ATOM 0 HB2 GLU A 35 6.879 -15.621 -0.894 1.00 51.44 H new ATOM 0 HB3 GLU A 35 7.134 -17.141 -1.727 1.00 51.44 H new ATOM 0 HG2 GLU A 35 8.335 -16.719 1.003 1.00 4.05 H new ATOM 0 HG3 GLU A 35 6.631 -17.098 0.854 1.00 4.05 H new ATOM 543 N MET A 36 8.857 -13.932 -2.748 1.00 64.43 N ATOM 544 CA MET A 36 8.737 -13.123 -3.955 1.00 74.25 C ATOM 545 C MET A 36 9.875 -13.421 -4.926 1.00 5.34 C ATOM 546 O MET A 36 9.645 -13.677 -6.108 1.00 32.43 O ATOM 547 CB MET A 36 8.730 -11.635 -3.599 1.00 60.33 C ATOM 548 CG MET A 36 7.547 -11.222 -2.739 1.00 50.41 C ATOM 549 SD MET A 36 6.196 -10.521 -3.707 1.00 21.34 S ATOM 550 CE MET A 36 5.510 -9.354 -2.534 1.00 40.34 C ATOM 0 H MET A 36 9.004 -13.395 -1.893 1.00 64.43 H new ATOM 0 HA MET A 36 7.795 -13.377 -4.440 1.00 74.25 H new ATOM 0 HB2 MET A 36 9.653 -11.391 -3.074 1.00 60.33 H new ATOM 0 HB3 MET A 36 8.722 -11.050 -4.519 1.00 60.33 H new ATOM 0 HG2 MET A 36 7.183 -12.089 -2.189 1.00 50.41 H new ATOM 0 HG3 MET A 36 7.877 -10.491 -2.001 1.00 50.41 H new ATOM 0 HE1 MET A 36 4.663 -8.839 -2.986 1.00 40.34 H new ATOM 0 HE2 MET A 36 5.177 -9.887 -1.643 1.00 40.34 H new ATOM 0 HE3 MET A 36 6.272 -8.625 -2.258 1.00 40.34 H new ATOM 560 N ILE A 37 11.103 -13.384 -4.419 1.00 2.01 N ATOM 561 CA ILE A 37 12.277 -13.651 -5.241 1.00 52.53 C ATOM 562 C ILE A 37 12.490 -15.149 -5.425 1.00 62.23 C ATOM 563 O ILE A 37 13.080 -15.587 -6.413 1.00 51.45 O ATOM 564 CB ILE A 37 13.547 -13.034 -4.626 1.00 61.31 C ATOM 565 CG1 ILE A 37 14.658 -12.950 -5.674 1.00 44.33 C ATOM 566 CG2 ILE A 37 14.004 -13.850 -3.426 1.00 61.53 C ATOM 567 CD1 ILE A 37 15.751 -11.966 -5.318 1.00 63.44 C ATOM 0 H ILE A 37 11.311 -13.172 -3.443 1.00 2.01 H new ATOM 0 HA ILE A 37 12.094 -13.191 -6.212 1.00 52.53 H new ATOM 0 HB ILE A 37 13.316 -12.024 -4.287 1.00 61.31 H new ATOM 0 HG12 ILE A 37 15.099 -13.938 -5.805 1.00 44.33 H new ATOM 0 HG13 ILE A 37 14.222 -12.666 -6.632 1.00 44.33 H new ATOM 0 HG21 ILE A 37 14.903 -13.402 -3.002 1.00 61.53 H new ATOM 0 HG22 ILE A 37 13.215 -13.863 -2.674 1.00 61.53 H new ATOM 0 HG23 ILE A 37 14.222 -14.870 -3.742 1.00 61.53 H new ATOM 0 HD11 ILE A 37 16.505 -11.959 -6.105 1.00 63.44 H new ATOM 0 HD12 ILE A 37 15.323 -10.969 -5.216 1.00 63.44 H new ATOM 0 HD13 ILE A 37 16.213 -12.261 -4.376 1.00 63.44 H new ATOM 579 N VAL A 38 12.005 -15.933 -4.467 1.00 53.44 N ATOM 580 CA VAL A 38 12.139 -17.383 -4.525 1.00 23.33 C ATOM 581 C VAL A 38 11.380 -17.959 -5.715 1.00 3.00 C ATOM 582 O VAL A 38 11.876 -18.845 -6.413 1.00 12.42 O ATOM 583 CB VAL A 38 11.625 -18.046 -3.233 1.00 23.11 C ATOM 584 CG1 VAL A 38 11.696 -19.561 -3.345 1.00 72.35 C ATOM 585 CG2 VAL A 38 12.418 -17.555 -2.031 1.00 21.11 C ATOM 0 H VAL A 38 11.516 -15.588 -3.641 1.00 53.44 H new ATOM 0 HA VAL A 38 13.202 -17.598 -4.638 1.00 23.33 H new ATOM 0 HB VAL A 38 10.581 -17.765 -3.091 1.00 23.11 H new ATOM 0 HG11 VAL A 38 11.329 -20.012 -2.423 1.00 72.35 H new ATOM 0 HG12 VAL A 38 11.081 -19.893 -4.181 1.00 72.35 H new ATOM 0 HG13 VAL A 38 12.729 -19.866 -3.511 1.00 72.35 H new ATOM 0 HG21 VAL A 38 12.042 -18.033 -1.127 1.00 21.11 H new ATOM 0 HG22 VAL A 38 13.471 -17.805 -2.163 1.00 21.11 H new ATOM 0 HG23 VAL A 38 12.311 -16.474 -1.941 1.00 21.11 H new ATOM 595 N THR A 39 10.173 -17.450 -5.943 1.00 4.12 N ATOM 596 CA THR A 39 9.345 -17.913 -7.048 1.00 74.44 C ATOM 597 C THR A 39 10.118 -17.892 -8.362 1.00 21.32 C ATOM 598 O THR A 39 9.858 -18.693 -9.259 1.00 21.40 O ATOM 599 CB THR A 39 8.076 -17.053 -7.199 1.00 1.32 C ATOM 600 OG1 THR A 39 7.135 -17.713 -8.053 1.00 12.54 O ATOM 601 CG2 THR A 39 8.415 -15.685 -7.771 1.00 42.40 C ATOM 0 H THR A 39 9.748 -16.716 -5.376 1.00 4.12 H new ATOM 0 HA THR A 39 9.055 -18.938 -6.816 1.00 74.44 H new ATOM 0 HB THR A 39 7.636 -16.918 -6.211 1.00 1.32 H new ATOM 0 HG1 THR A 39 6.331 -17.160 -8.142 1.00 12.54 H new ATOM 0 HG21 THR A 39 7.503 -15.095 -7.869 1.00 42.40 H new ATOM 0 HG22 THR A 39 9.108 -15.173 -7.104 1.00 42.40 H new ATOM 0 HG23 THR A 39 8.876 -15.805 -8.751 1.00 42.40 H new ATOM 609 N ALA A 40 11.070 -16.971 -8.468 1.00 21.02 N ATOM 610 CA ALA A 40 11.883 -16.848 -9.671 1.00 44.11 C ATOM 611 C ALA A 40 12.920 -17.963 -9.750 1.00 22.35 C ATOM 612 O ALA A 40 13.036 -18.645 -10.767 1.00 61.41 O ATOM 613 CB ALA A 40 12.564 -15.488 -9.711 1.00 3.20 C ATOM 0 H ALA A 40 11.297 -16.299 -7.735 1.00 21.02 H new ATOM 0 HA ALA A 40 11.224 -16.938 -10.535 1.00 44.11 H new ATOM 0 HB1 ALA A 40 13.168 -15.410 -10.615 1.00 3.20 H new ATOM 0 HB2 ALA A 40 11.808 -14.703 -9.711 1.00 3.20 H new ATOM 0 HB3 ALA A 40 13.204 -15.376 -8.836 1.00 3.20 H new ATOM 619 N ALA A 41 13.672 -18.143 -8.669 1.00 5.43 N ATOM 620 CA ALA A 41 14.699 -19.176 -8.615 1.00 72.22 C ATOM 621 C ALA A 41 14.088 -20.565 -8.769 1.00 11.04 C ATOM 622 O ALA A 41 14.711 -21.468 -9.326 1.00 33.34 O ATOM 623 CB ALA A 41 15.477 -19.081 -7.311 1.00 15.21 C ATOM 0 H ALA A 41 13.589 -17.586 -7.818 1.00 5.43 H new ATOM 0 HA ALA A 41 15.385 -19.015 -9.446 1.00 72.22 H new ATOM 0 HB1 ALA A 41 16.240 -19.859 -7.285 1.00 15.21 H new ATOM 0 HB2 ALA A 41 15.953 -18.103 -7.242 1.00 15.21 H new ATOM 0 HB3 ALA A 41 14.796 -19.213 -6.470 1.00 15.21 H new ATOM 629 N GLU A 42 12.866 -20.727 -8.270 1.00 62.53 N ATOM 630 CA GLU A 42 12.173 -22.008 -8.352 1.00 11.35 C ATOM 631 C GLU A 42 11.700 -22.281 -9.776 1.00 51.14 C ATOM 632 O GLU A 42 11.696 -23.424 -10.233 1.00 73.23 O ATOM 633 CB GLU A 42 10.980 -22.029 -7.394 1.00 11.54 C ATOM 634 CG GLU A 42 11.375 -21.966 -5.928 1.00 21.42 C ATOM 635 CD GLU A 42 10.550 -22.898 -5.061 1.00 63.12 C ATOM 636 OE1 GLU A 42 10.951 -24.071 -4.904 1.00 12.42 O ATOM 637 OE2 GLU A 42 9.505 -22.455 -4.541 1.00 21.51 O ATOM 0 H GLU A 42 12.337 -19.989 -7.806 1.00 62.53 H new ATOM 0 HA GLU A 42 12.875 -22.791 -8.065 1.00 11.35 H new ATOM 0 HB2 GLU A 42 10.327 -21.187 -7.622 1.00 11.54 H new ATOM 0 HB3 GLU A 42 10.402 -22.937 -7.567 1.00 11.54 H new ATOM 0 HG2 GLU A 42 12.430 -22.222 -5.828 1.00 21.42 H new ATOM 0 HG3 GLU A 42 11.260 -20.944 -5.568 1.00 21.42 H new ATOM 644 N LYS A 43 11.301 -21.223 -10.474 1.00 42.31 N ATOM 645 CA LYS A 43 10.826 -21.346 -11.847 1.00 44.33 C ATOM 646 C LYS A 43 11.928 -20.983 -12.838 1.00 71.33 C ATOM 647 O LYS A 43 11.669 -20.798 -14.027 1.00 32.32 O ATOM 648 CB LYS A 43 9.609 -20.446 -12.070 1.00 52.22 C ATOM 649 CG LYS A 43 8.283 -21.180 -11.969 1.00 21.13 C ATOM 650 CD LYS A 43 7.286 -20.415 -11.114 1.00 60.35 C ATOM 651 CE LYS A 43 5.937 -20.294 -11.806 1.00 71.13 C ATOM 652 NZ LYS A 43 5.088 -21.496 -11.580 1.00 73.45 N ATOM 0 H LYS A 43 11.297 -20.270 -10.111 1.00 42.31 H new ATOM 0 HA LYS A 43 10.538 -22.384 -12.014 1.00 44.33 H new ATOM 0 HB2 LYS A 43 9.625 -19.639 -11.337 1.00 52.22 H new ATOM 0 HB3 LYS A 43 9.685 -19.984 -13.054 1.00 52.22 H new ATOM 0 HG2 LYS A 43 7.870 -21.327 -12.967 1.00 21.13 H new ATOM 0 HG3 LYS A 43 8.446 -22.170 -11.542 1.00 21.13 H new ATOM 0 HD2 LYS A 43 7.161 -20.922 -10.157 1.00 60.35 H new ATOM 0 HD3 LYS A 43 7.677 -19.420 -10.899 1.00 60.35 H new ATOM 0 HE2 LYS A 43 5.418 -19.409 -11.438 1.00 71.13 H new ATOM 0 HE3 LYS A 43 6.089 -20.153 -12.876 1.00 71.13 H new ATOM 0 HZ1 LYS A 43 4.177 -21.375 -12.068 1.00 73.45 H new ATOM 0 HZ2 LYS A 43 5.571 -22.338 -11.954 1.00 73.45 H new ATOM 0 HZ3 LYS A 43 4.921 -21.617 -10.561 1.00 73.45 H new ATOM 666 N GLU A 44 13.157 -20.885 -12.341 1.00 33.13 N ATOM 667 CA GLU A 44 14.297 -20.545 -13.184 1.00 73.40 C ATOM 668 C GLU A 44 15.113 -21.790 -13.522 1.00 3.51 C ATOM 669 O GLU A 44 14.779 -22.897 -13.103 1.00 31.14 O ATOM 670 CB GLU A 44 15.185 -19.513 -12.487 1.00 41.44 C ATOM 671 CG GLU A 44 14.906 -18.082 -12.916 1.00 43.23 C ATOM 672 CD GLU A 44 15.516 -17.748 -14.264 1.00 54.40 C ATOM 673 OE1 GLU A 44 16.538 -18.368 -14.622 1.00 65.33 O ATOM 674 OE2 GLU A 44 14.970 -16.866 -14.960 1.00 44.11 O ATOM 0 H GLU A 44 13.389 -21.036 -11.359 1.00 33.13 H new ATOM 0 HA GLU A 44 13.916 -20.118 -14.112 1.00 73.40 H new ATOM 0 HB2 GLU A 44 15.045 -19.594 -11.409 1.00 41.44 H new ATOM 0 HB3 GLU A 44 16.230 -19.748 -12.691 1.00 41.44 H new ATOM 0 HG2 GLU A 44 13.829 -17.923 -12.959 1.00 43.23 H new ATOM 0 HG3 GLU A 44 15.299 -17.398 -12.164 1.00 43.23 H new ATOM 681 N ALA A 45 16.186 -21.598 -14.283 1.00 54.53 N ATOM 682 CA ALA A 45 17.051 -22.703 -14.677 1.00 11.54 C ATOM 683 C ALA A 45 18.340 -22.191 -15.311 1.00 21.42 C ATOM 684 O ALA A 45 18.333 -21.203 -16.044 1.00 52.13 O ATOM 685 CB ALA A 45 16.320 -23.630 -15.636 1.00 52.44 C ATOM 0 H ALA A 45 16.477 -20.687 -14.639 1.00 54.53 H new ATOM 0 HA ALA A 45 17.316 -23.263 -13.780 1.00 11.54 H new ATOM 0 HB1 ALA A 45 16.978 -24.450 -15.922 1.00 52.44 H new ATOM 0 HB2 ALA A 45 15.431 -24.031 -15.148 1.00 52.44 H new ATOM 0 HB3 ALA A 45 16.026 -23.074 -16.526 1.00 52.44 H new ATOM 691 N SER A 46 19.446 -22.871 -15.023 1.00 13.43 N ATOM 692 CA SER A 46 20.744 -22.482 -15.561 1.00 72.15 C ATOM 693 C SER A 46 21.025 -21.007 -15.290 1.00 23.41 C ATOM 694 O SER A 46 21.624 -20.317 -16.115 1.00 21.55 O ATOM 695 CB SER A 46 20.798 -22.755 -17.066 1.00 15.41 C ATOM 696 OG SER A 46 22.125 -23.010 -17.491 1.00 20.11 O ATOM 0 H SER A 46 19.469 -23.694 -14.420 1.00 13.43 H new ATOM 0 HA SER A 46 21.509 -23.077 -15.063 1.00 72.15 H new ATOM 0 HB2 SER A 46 20.165 -23.609 -17.307 1.00 15.41 H new ATOM 0 HB3 SER A 46 20.397 -21.899 -17.609 1.00 15.41 H new ATOM 0 HG SER A 46 22.132 -23.183 -18.456 1.00 20.11 H new ATOM 702 N GLN A 47 20.589 -20.532 -14.128 1.00 75.31 N ATOM 703 CA GLN A 47 20.793 -19.140 -13.748 1.00 14.54 C ATOM 704 C GLN A 47 21.899 -19.017 -12.705 1.00 51.50 C ATOM 705 O GLN A 47 21.975 -19.812 -11.768 1.00 1.50 O ATOM 706 CB GLN A 47 19.494 -18.542 -13.203 1.00 51.04 C ATOM 707 CG GLN A 47 19.345 -17.055 -13.481 1.00 41.22 C ATOM 708 CD GLN A 47 18.096 -16.466 -12.855 1.00 24.20 C ATOM 709 OE1 GLN A 47 17.574 -16.992 -11.872 1.00 1.14 O ATOM 710 NE2 GLN A 47 17.610 -15.369 -13.423 1.00 2.55 N ATOM 0 H GLN A 47 20.092 -21.091 -13.434 1.00 75.31 H new ATOM 0 HA GLN A 47 21.094 -18.587 -14.638 1.00 14.54 H new ATOM 0 HB2 GLN A 47 18.648 -19.072 -13.641 1.00 51.04 H new ATOM 0 HB3 GLN A 47 19.451 -18.708 -12.127 1.00 51.04 H new ATOM 0 HG2 GLN A 47 20.220 -16.529 -13.100 1.00 41.22 H new ATOM 0 HG3 GLN A 47 19.318 -16.892 -14.558 1.00 41.22 H new ATOM 0 HE21 GLN A 47 18.075 -14.967 -14.237 1.00 2.55 H new ATOM 0 HE22 GLN A 47 16.771 -14.928 -13.046 1.00 2.55 H new ATOM 719 N LYS A 48 22.756 -18.015 -12.874 1.00 74.11 N ATOM 720 CA LYS A 48 23.858 -17.786 -11.948 1.00 22.21 C ATOM 721 C LYS A 48 23.396 -16.976 -10.741 1.00 72.01 C ATOM 722 O LYS A 48 23.934 -17.117 -9.643 1.00 45.50 O ATOM 723 CB LYS A 48 25.003 -17.058 -12.656 1.00 23.33 C ATOM 724 CG LYS A 48 25.386 -17.678 -13.989 1.00 13.51 C ATOM 725 CD LYS A 48 26.886 -17.620 -14.221 1.00 3.25 C ATOM 726 CE LYS A 48 27.215 -17.164 -15.634 1.00 70.41 C ATOM 727 NZ LYS A 48 28.630 -17.455 -15.995 1.00 41.14 N ATOM 0 H LYS A 48 22.708 -17.348 -13.645 1.00 74.11 H new ATOM 0 HA LYS A 48 24.213 -18.755 -11.598 1.00 22.21 H new ATOM 0 HB2 LYS A 48 24.717 -16.019 -12.817 1.00 23.33 H new ATOM 0 HB3 LYS A 48 25.876 -17.051 -12.004 1.00 23.33 H new ATOM 0 HG2 LYS A 48 25.052 -18.715 -14.018 1.00 13.51 H new ATOM 0 HG3 LYS A 48 24.872 -17.155 -14.795 1.00 13.51 H new ATOM 0 HD2 LYS A 48 27.340 -16.938 -13.503 1.00 3.25 H new ATOM 0 HD3 LYS A 48 27.321 -18.604 -14.045 1.00 3.25 H new ATOM 0 HE2 LYS A 48 26.550 -17.661 -16.340 1.00 70.41 H new ATOM 0 HE3 LYS A 48 27.030 -16.093 -15.722 1.00 70.41 H new ATOM 0 HZ1 LYS A 48 28.815 -17.129 -16.965 1.00 41.14 H new ATOM 0 HZ2 LYS A 48 29.265 -16.960 -15.337 1.00 41.14 H new ATOM 0 HZ3 LYS A 48 28.800 -18.479 -15.935 1.00 41.14 H new ATOM 741 N VAL A 49 22.393 -16.129 -10.952 1.00 4.34 N ATOM 742 CA VAL A 49 21.857 -15.298 -9.880 1.00 73.13 C ATOM 743 C VAL A 49 20.920 -16.098 -8.981 1.00 43.25 C ATOM 744 O VAL A 49 20.828 -15.843 -7.781 1.00 24.05 O ATOM 745 CB VAL A 49 21.097 -14.081 -10.441 1.00 3.23 C ATOM 746 CG1 VAL A 49 22.070 -13.061 -11.011 1.00 44.44 C ATOM 747 CG2 VAL A 49 20.093 -14.520 -11.495 1.00 54.43 C ATOM 0 H VAL A 49 21.936 -16.000 -11.855 1.00 4.34 H new ATOM 0 HA VAL A 49 22.707 -14.948 -9.294 1.00 73.13 H new ATOM 0 HB VAL A 49 20.549 -13.609 -9.626 1.00 3.23 H new ATOM 0 HG11 VAL A 49 21.515 -12.208 -11.403 1.00 44.44 H new ATOM 0 HG12 VAL A 49 22.746 -12.724 -10.225 1.00 44.44 H new ATOM 0 HG13 VAL A 49 22.647 -13.518 -11.815 1.00 44.44 H new ATOM 0 HG21 VAL A 49 19.565 -13.648 -11.880 1.00 54.43 H new ATOM 0 HG22 VAL A 49 20.617 -15.017 -12.311 1.00 54.43 H new ATOM 0 HG23 VAL A 49 19.376 -15.210 -11.050 1.00 54.43 H new ATOM 757 N ARG A 50 20.227 -17.066 -9.571 1.00 61.31 N ATOM 758 CA ARG A 50 19.297 -17.904 -8.824 1.00 14.43 C ATOM 759 C ARG A 50 19.918 -18.367 -7.509 1.00 55.02 C ATOM 760 O ARG A 50 19.238 -18.455 -6.488 1.00 30.15 O ATOM 761 CB ARG A 50 18.883 -19.116 -9.660 1.00 43.02 C ATOM 762 CG ARG A 50 18.047 -20.128 -8.894 1.00 54.34 C ATOM 763 CD ARG A 50 18.722 -21.490 -8.850 1.00 54.44 C ATOM 764 NE ARG A 50 19.544 -21.655 -7.655 1.00 1.51 N ATOM 765 CZ ARG A 50 19.990 -22.830 -7.226 1.00 71.10 C ATOM 766 NH1 ARG A 50 19.694 -23.938 -7.892 1.00 3.13 N ATOM 767 NH2 ARG A 50 20.733 -22.899 -6.129 1.00 45.02 N ATOM 0 H ARG A 50 20.292 -17.289 -10.564 1.00 61.31 H new ATOM 0 HA ARG A 50 18.412 -17.309 -8.598 1.00 14.43 H new ATOM 0 HB2 ARG A 50 18.318 -18.773 -10.527 1.00 43.02 H new ATOM 0 HB3 ARG A 50 19.779 -19.609 -10.038 1.00 43.02 H new ATOM 0 HG2 ARG A 50 17.881 -19.770 -7.878 1.00 54.34 H new ATOM 0 HG3 ARG A 50 17.067 -20.221 -9.363 1.00 54.34 H new ATOM 0 HD2 ARG A 50 17.963 -22.272 -8.879 1.00 54.44 H new ATOM 0 HD3 ARG A 50 19.343 -21.616 -9.737 1.00 54.44 H new ATOM 0 HE ARG A 50 19.789 -20.822 -7.120 1.00 1.51 H new ATOM 0 HH11 ARG A 50 19.123 -23.889 -8.736 1.00 3.13 H new ATOM 0 HH12 ARG A 50 20.038 -24.839 -7.561 1.00 3.13 H new ATOM 0 HH21 ARG A 50 20.962 -22.049 -5.614 1.00 45.02 H new ATOM 0 HH22 ARG A 50 21.075 -23.802 -5.801 1.00 45.02 H new ATOM 781 N ASN A 51 21.213 -18.662 -7.544 1.00 71.22 N ATOM 782 CA ASN A 51 21.925 -19.118 -6.356 1.00 45.30 C ATOM 783 C ASN A 51 21.900 -18.052 -5.264 1.00 72.15 C ATOM 784 O ASN A 51 21.592 -18.340 -4.107 1.00 74.42 O ATOM 785 CB ASN A 51 23.373 -19.469 -6.707 1.00 74.32 C ATOM 786 CG ASN A 51 24.196 -19.819 -5.483 1.00 31.43 C ATOM 787 OD1 ASN A 51 23.774 -20.615 -4.644 1.00 34.32 O ATOM 788 ND2 ASN A 51 25.378 -19.224 -5.375 1.00 21.21 N ATOM 0 H ASN A 51 21.791 -18.594 -8.382 1.00 71.22 H new ATOM 0 HA ASN A 51 21.422 -20.009 -5.981 1.00 45.30 H new ATOM 0 HB2 ASN A 51 23.382 -20.310 -7.400 1.00 74.32 H new ATOM 0 HB3 ASN A 51 23.834 -18.626 -7.222 1.00 74.32 H new ATOM 0 HD21 ASN A 51 25.976 -19.420 -4.573 1.00 21.21 H new ATOM 0 HD22 ASN A 51 25.688 -18.571 -6.095 1.00 21.21 H new ATOM 795 N LEU A 52 22.225 -16.820 -5.640 1.00 72.24 N ATOM 796 CA LEU A 52 22.239 -15.710 -4.694 1.00 74.01 C ATOM 797 C LEU A 52 20.819 -15.296 -4.320 1.00 1.03 C ATOM 798 O LEU A 52 20.571 -14.824 -3.209 1.00 72.42 O ATOM 799 CB LEU A 52 22.990 -14.517 -5.288 1.00 22.33 C ATOM 800 CG LEU A 52 23.461 -13.457 -4.291 1.00 64.54 C ATOM 801 CD1 LEU A 52 24.561 -12.602 -4.902 1.00 31.43 C ATOM 802 CD2 LEU A 52 22.294 -12.589 -3.844 1.00 62.34 C ATOM 0 H LEU A 52 22.482 -16.565 -6.593 1.00 72.24 H new ATOM 0 HA LEU A 52 22.752 -16.041 -3.791 1.00 74.01 H new ATOM 0 HB2 LEU A 52 23.860 -14.892 -5.827 1.00 22.33 H new ATOM 0 HB3 LEU A 52 22.344 -14.035 -6.022 1.00 22.33 H new ATOM 0 HG LEU A 52 23.867 -13.964 -3.415 1.00 64.54 H new ATOM 0 HD11 LEU A 52 24.884 -11.853 -4.179 1.00 31.43 H new ATOM 0 HD12 LEU A 52 25.407 -13.235 -5.171 1.00 31.43 H new ATOM 0 HD13 LEU A 52 24.182 -12.104 -5.794 1.00 31.43 H new ATOM 0 HD21 LEU A 52 22.648 -11.841 -3.135 1.00 62.34 H new ATOM 0 HD22 LEU A 52 21.858 -12.091 -4.710 1.00 62.34 H new ATOM 0 HD23 LEU A 52 21.539 -13.213 -3.366 1.00 62.34 H new ATOM 814 N LEU A 53 19.890 -15.477 -5.252 1.00 64.02 N ATOM 815 CA LEU A 53 18.494 -15.124 -5.020 1.00 30.42 C ATOM 816 C LEU A 53 17.921 -15.914 -3.847 1.00 72.03 C ATOM 817 O LEU A 53 17.270 -15.352 -2.965 1.00 41.03 O ATOM 818 CB LEU A 53 17.665 -15.385 -6.279 1.00 23.31 C ATOM 819 CG LEU A 53 17.602 -14.240 -7.290 1.00 63.11 C ATOM 820 CD1 LEU A 53 18.841 -13.364 -7.183 1.00 31.43 C ATOM 821 CD2 LEU A 53 17.452 -14.784 -8.703 1.00 64.23 C ATOM 0 H LEU A 53 20.078 -15.866 -6.176 1.00 64.02 H new ATOM 0 HA LEU A 53 18.449 -14.062 -4.777 1.00 30.42 H new ATOM 0 HB2 LEU A 53 18.070 -16.264 -6.781 1.00 23.31 H new ATOM 0 HB3 LEU A 53 16.648 -15.631 -5.975 1.00 23.31 H new ATOM 0 HG LEU A 53 16.729 -13.628 -7.063 1.00 63.11 H new ATOM 0 HD11 LEU A 53 18.778 -12.555 -7.910 1.00 31.43 H new ATOM 0 HD12 LEU A 53 18.905 -12.945 -6.179 1.00 31.43 H new ATOM 0 HD13 LEU A 53 19.729 -13.964 -7.383 1.00 31.43 H new ATOM 0 HD21 LEU A 53 17.409 -13.955 -9.409 1.00 64.23 H new ATOM 0 HD22 LEU A 53 18.305 -15.419 -8.941 1.00 64.23 H new ATOM 0 HD23 LEU A 53 16.534 -15.368 -8.773 1.00 64.23 H new ATOM 833 N LEU A 54 18.168 -17.219 -3.843 1.00 23.25 N ATOM 834 CA LEU A 54 17.679 -18.087 -2.777 1.00 12.23 C ATOM 835 C LEU A 54 18.523 -17.930 -1.516 1.00 63.22 C ATOM 836 O LEU A 54 18.022 -18.068 -0.400 1.00 25.14 O ATOM 837 CB LEU A 54 17.691 -19.546 -3.234 1.00 71.34 C ATOM 838 CG LEU A 54 16.897 -19.858 -4.503 1.00 60.44 C ATOM 839 CD1 LEU A 54 17.499 -21.051 -5.230 1.00 30.32 C ATOM 840 CD2 LEU A 54 15.436 -20.118 -4.168 1.00 14.11 C ATOM 0 H LEU A 54 18.704 -17.700 -4.566 1.00 23.25 H new ATOM 0 HA LEU A 54 16.655 -17.794 -2.545 1.00 12.23 H new ATOM 0 HB2 LEU A 54 18.726 -19.847 -3.394 1.00 71.34 H new ATOM 0 HB3 LEU A 54 17.301 -20.163 -2.424 1.00 71.34 H new ATOM 0 HG LEU A 54 16.949 -18.992 -5.163 1.00 60.44 H new ATOM 0 HD11 LEU A 54 16.921 -21.258 -6.130 1.00 30.32 H new ATOM 0 HD12 LEU A 54 18.530 -20.828 -5.504 1.00 30.32 H new ATOM 0 HD13 LEU A 54 17.478 -21.923 -4.577 1.00 30.32 H new ATOM 0 HD21 LEU A 54 14.886 -20.338 -5.083 1.00 14.11 H new ATOM 0 HD22 LEU A 54 15.364 -20.967 -3.488 1.00 14.11 H new ATOM 0 HD23 LEU A 54 15.009 -19.235 -3.692 1.00 14.11 H new ATOM 852 N HIS A 55 19.807 -17.639 -1.702 1.00 71.13 N ATOM 853 CA HIS A 55 20.721 -17.461 -0.580 1.00 11.54 C ATOM 854 C HIS A 55 20.361 -16.212 0.220 1.00 23.14 C ATOM 855 O HIS A 55 20.236 -16.261 1.444 1.00 4.43 O ATOM 856 CB HIS A 55 22.163 -17.363 -1.079 1.00 54.30 C ATOM 857 CG HIS A 55 23.173 -17.271 0.023 1.00 41.44 C ATOM 858 ND1 HIS A 55 23.736 -16.080 0.430 1.00 11.50 N ATOM 859 CD2 HIS A 55 23.720 -18.230 0.804 1.00 24.54 C ATOM 860 CE1 HIS A 55 24.587 -16.311 1.414 1.00 51.14 C ATOM 861 NE2 HIS A 55 24.596 -17.608 1.660 1.00 32.53 N ATOM 0 H HIS A 55 20.237 -17.522 -2.619 1.00 71.13 H new ATOM 0 HA HIS A 55 20.629 -18.329 0.073 1.00 11.54 H new ATOM 0 HB2 HIS A 55 22.386 -18.235 -1.693 1.00 54.30 H new ATOM 0 HB3 HIS A 55 22.258 -16.488 -1.722 1.00 54.30 H new ATOM 0 HD2 HIS A 55 23.508 -19.288 0.762 1.00 24.54 H new ATOM 0 HE1 HIS A 55 25.175 -15.566 1.929 1.00 51.14 H new ATOM 0 HE2 HIS A 55 25.162 -18.073 2.370 1.00 32.53 H new ATOM 869 N LYS A 56 20.197 -15.094 -0.479 1.00 32.32 N ATOM 870 CA LYS A 56 19.851 -13.833 0.165 1.00 42.50 C ATOM 871 C LYS A 56 18.434 -13.878 0.726 1.00 34.42 C ATOM 872 O LYS A 56 18.163 -13.344 1.801 1.00 43.44 O ATOM 873 CB LYS A 56 19.980 -12.677 -0.830 1.00 1.32 C ATOM 874 CG LYS A 56 21.227 -11.834 -0.625 1.00 12.25 C ATOM 875 CD LYS A 56 21.117 -10.494 -1.334 1.00 24.42 C ATOM 876 CE LYS A 56 21.836 -9.396 -0.565 1.00 62.31 C ATOM 877 NZ LYS A 56 21.057 -8.949 0.623 1.00 71.35 N ATOM 0 H LYS A 56 20.298 -15.036 -1.492 1.00 32.32 H new ATOM 0 HA LYS A 56 20.544 -13.674 0.991 1.00 42.50 H new ATOM 0 HB2 LYS A 56 19.986 -13.080 -1.843 1.00 1.32 H new ATOM 0 HB3 LYS A 56 19.101 -12.037 -0.747 1.00 1.32 H new ATOM 0 HG2 LYS A 56 21.386 -11.671 0.441 1.00 12.25 H new ATOM 0 HG3 LYS A 56 22.098 -12.374 -0.998 1.00 12.25 H new ATOM 0 HD2 LYS A 56 21.540 -10.575 -2.335 1.00 24.42 H new ATOM 0 HD3 LYS A 56 20.066 -10.229 -1.452 1.00 24.42 H new ATOM 0 HE2 LYS A 56 22.813 -9.758 -0.244 1.00 62.31 H new ATOM 0 HE3 LYS A 56 22.012 -8.546 -1.225 1.00 62.31 H new ATOM 0 HZ1 LYS A 56 21.539 -8.144 1.071 1.00 71.35 H new ATOM 0 HZ2 LYS A 56 20.104 -8.659 0.324 1.00 71.35 H new ATOM 0 HZ3 LYS A 56 20.983 -9.731 1.304 1.00 71.35 H new ATOM 891 N GLY A 57 17.531 -14.523 -0.008 1.00 45.52 N ATOM 892 CA GLY A 57 16.153 -14.627 0.434 1.00 61.34 C ATOM 893 C GLY A 57 16.013 -15.436 1.708 1.00 13.42 C ATOM 894 O GLY A 57 15.187 -15.120 2.565 1.00 2.43 O ATOM 0 H GLY A 57 17.730 -14.975 -0.900 1.00 45.52 H new ATOM 0 HA2 GLY A 57 15.750 -13.627 0.596 1.00 61.34 H new ATOM 0 HA3 GLY A 57 15.556 -15.088 -0.353 1.00 61.34 H new ATOM 898 N LYS A 58 16.820 -16.483 1.834 1.00 32.53 N ATOM 899 CA LYS A 58 16.783 -17.341 3.013 1.00 73.01 C ATOM 900 C LYS A 58 17.468 -16.667 4.198 1.00 75.33 C ATOM 901 O LYS A 58 17.088 -16.880 5.348 1.00 35.45 O ATOM 902 CB LYS A 58 17.458 -18.682 2.715 1.00 53.20 C ATOM 903 CG LYS A 58 18.322 -19.194 3.854 1.00 34.33 C ATOM 904 CD LYS A 58 19.720 -18.603 3.803 1.00 64.10 C ATOM 905 CE LYS A 58 20.769 -19.674 3.546 1.00 61.33 C ATOM 906 NZ LYS A 58 20.837 -20.050 2.106 1.00 34.14 N ATOM 0 H LYS A 58 17.509 -16.759 1.134 1.00 32.53 H new ATOM 0 HA LYS A 58 15.739 -17.517 3.271 1.00 73.01 H new ATOM 0 HB2 LYS A 58 16.691 -19.423 2.490 1.00 53.20 H new ATOM 0 HB3 LYS A 58 18.073 -18.579 1.821 1.00 53.20 H new ATOM 0 HG2 LYS A 58 17.855 -18.944 4.807 1.00 34.33 H new ATOM 0 HG3 LYS A 58 18.384 -20.281 3.805 1.00 34.33 H new ATOM 0 HD2 LYS A 58 19.769 -17.849 3.018 1.00 64.10 H new ATOM 0 HD3 LYS A 58 19.937 -18.098 4.744 1.00 64.10 H new ATOM 0 HE2 LYS A 58 21.744 -19.313 3.874 1.00 61.33 H new ATOM 0 HE3 LYS A 58 20.539 -20.558 4.142 1.00 61.33 H new ATOM 0 HZ1 LYS A 58 21.115 -21.049 2.021 1.00 34.14 H new ATOM 0 HZ2 LYS A 58 19.905 -19.911 1.667 1.00 34.14 H new ATOM 0 HZ3 LYS A 58 21.539 -19.453 1.624 1.00 34.14 H new ATOM 920 N GLU A 59 18.477 -15.853 3.907 1.00 24.02 N ATOM 921 CA GLU A 59 19.214 -15.148 4.950 1.00 73.11 C ATOM 922 C GLU A 59 18.357 -14.050 5.574 1.00 72.33 C ATOM 923 O GLU A 59 18.105 -14.053 6.779 1.00 43.12 O ATOM 924 CB GLU A 59 20.499 -14.545 4.379 1.00 54.32 C ATOM 925 CG GLU A 59 21.635 -15.545 4.247 1.00 74.22 C ATOM 926 CD GLU A 59 22.199 -15.967 5.589 1.00 24.13 C ATOM 927 OE1 GLU A 59 22.575 -15.078 6.382 1.00 51.05 O ATOM 928 OE2 GLU A 59 22.265 -17.187 5.847 1.00 24.34 O ATOM 0 H GLU A 59 18.803 -15.665 2.959 1.00 24.02 H new ATOM 0 HA GLU A 59 19.473 -15.868 5.726 1.00 73.11 H new ATOM 0 HB2 GLU A 59 20.286 -14.119 3.399 1.00 54.32 H new ATOM 0 HB3 GLU A 59 20.821 -13.724 5.020 1.00 54.32 H new ATOM 0 HG2 GLU A 59 21.278 -16.426 3.714 1.00 74.22 H new ATOM 0 HG3 GLU A 59 22.431 -15.108 3.644 1.00 74.22 H new ATOM 935 N VAL A 60 17.911 -13.112 4.744 1.00 24.01 N ATOM 936 CA VAL A 60 17.082 -12.008 5.213 1.00 44.03 C ATOM 937 C VAL A 60 15.912 -12.515 6.047 1.00 33.51 C ATOM 938 O VAL A 60 15.454 -11.840 6.970 1.00 71.30 O ATOM 939 CB VAL A 60 16.538 -11.176 4.036 1.00 32.33 C ATOM 940 CG1 VAL A 60 17.680 -10.652 3.179 1.00 74.32 C ATOM 941 CG2 VAL A 60 15.570 -12.003 3.203 1.00 41.01 C ATOM 0 H VAL A 60 18.110 -13.095 3.744 1.00 24.01 H new ATOM 0 HA VAL A 60 17.718 -11.375 5.832 1.00 44.03 H new ATOM 0 HB VAL A 60 15.996 -10.320 4.438 1.00 32.33 H new ATOM 0 HG11 VAL A 60 17.276 -10.067 2.353 1.00 74.32 H new ATOM 0 HG12 VAL A 60 18.331 -10.022 3.786 1.00 74.32 H new ATOM 0 HG13 VAL A 60 18.253 -11.491 2.784 1.00 74.32 H new ATOM 0 HG21 VAL A 60 15.195 -11.400 2.376 1.00 41.01 H new ATOM 0 HG22 VAL A 60 16.085 -12.879 2.809 1.00 41.01 H new ATOM 0 HG23 VAL A 60 14.735 -12.323 3.826 1.00 41.01 H new ATOM 951 N LEU A 61 15.431 -13.709 5.717 1.00 22.24 N ATOM 952 CA LEU A 61 14.313 -14.309 6.437 1.00 71.21 C ATOM 953 C LEU A 61 14.758 -14.828 7.800 1.00 22.23 C ATOM 954 O LEU A 61 14.029 -14.716 8.785 1.00 24.24 O ATOM 955 CB LEU A 61 13.707 -15.450 5.617 1.00 13.24 C ATOM 956 CG LEU A 61 12.448 -15.108 4.820 1.00 52.33 C ATOM 957 CD1 LEU A 61 12.761 -14.082 3.741 1.00 24.24 C ATOM 958 CD2 LEU A 61 11.848 -16.364 4.205 1.00 21.12 C ATOM 0 H LEU A 61 15.798 -14.280 4.956 1.00 22.24 H new ATOM 0 HA LEU A 61 13.557 -13.539 6.592 1.00 71.21 H new ATOM 0 HB2 LEU A 61 14.465 -15.814 4.923 1.00 13.24 H new ATOM 0 HB3 LEU A 61 13.473 -16.272 6.293 1.00 13.24 H new ATOM 0 HG LEU A 61 11.716 -14.676 5.502 1.00 52.33 H new ATOM 0 HD11 LEU A 61 11.853 -13.851 3.184 1.00 24.24 H new ATOM 0 HD12 LEU A 61 13.144 -13.173 4.204 1.00 24.24 H new ATOM 0 HD13 LEU A 61 13.511 -14.486 3.061 1.00 24.24 H new ATOM 0 HD21 LEU A 61 10.953 -16.101 3.642 1.00 21.12 H new ATOM 0 HD22 LEU A 61 12.575 -16.825 3.537 1.00 21.12 H new ATOM 0 HD23 LEU A 61 11.586 -17.067 4.996 1.00 21.12 H new ATOM 970 N GLU A 62 15.960 -15.394 7.849 1.00 62.02 N ATOM 971 CA GLU A 62 16.502 -15.929 9.092 1.00 4.43 C ATOM 972 C GLU A 62 16.992 -14.804 10.000 1.00 21.12 C ATOM 973 O GLU A 62 17.014 -14.945 11.223 1.00 10.50 O ATOM 974 CB GLU A 62 17.649 -16.898 8.799 1.00 23.33 C ATOM 975 CG GLU A 62 17.184 -18.273 8.349 1.00 41.21 C ATOM 976 CD GLU A 62 16.987 -19.231 9.508 1.00 44.14 C ATOM 977 OE1 GLU A 62 16.137 -18.946 10.376 1.00 2.45 O ATOM 978 OE2 GLU A 62 17.684 -20.267 9.545 1.00 43.30 O ATOM 0 H GLU A 62 16.576 -15.494 7.042 1.00 62.02 H new ATOM 0 HA GLU A 62 15.704 -16.466 9.605 1.00 4.43 H new ATOM 0 HB2 GLU A 62 18.288 -16.469 8.027 1.00 23.33 H new ATOM 0 HB3 GLU A 62 18.260 -17.006 9.695 1.00 23.33 H new ATOM 0 HG2 GLU A 62 16.247 -18.174 7.801 1.00 41.21 H new ATOM 0 HG3 GLU A 62 17.915 -18.691 7.657 1.00 41.21 H new ATOM 985 N TRP A 63 17.384 -13.690 9.393 1.00 60.01 N ATOM 986 CA TRP A 63 17.874 -12.541 10.146 1.00 62.11 C ATOM 987 C TRP A 63 16.723 -11.793 10.808 1.00 54.41 C ATOM 988 O TRP A 63 16.797 -11.436 11.983 1.00 14.42 O ATOM 989 CB TRP A 63 18.651 -11.597 9.227 1.00 2.10 C ATOM 990 CG TRP A 63 19.703 -10.804 9.942 1.00 13.24 C ATOM 991 CD1 TRP A 63 19.548 -9.582 10.533 1.00 73.20 C ATOM 992 CD2 TRP A 63 21.071 -11.177 10.140 1.00 12.33 C ATOM 993 NE1 TRP A 63 20.737 -9.173 11.086 1.00 22.21 N ATOM 994 CE2 TRP A 63 21.687 -10.134 10.860 1.00 51.03 C ATOM 995 CE3 TRP A 63 21.835 -12.290 9.782 1.00 72.52 C ATOM 996 CZ2 TRP A 63 23.030 -10.174 11.224 1.00 31.05 C ATOM 997 CZ3 TRP A 63 23.168 -12.329 10.144 1.00 13.44 C ATOM 998 CH2 TRP A 63 23.754 -11.276 10.860 1.00 22.53 C ATOM 0 H TRP A 63 17.372 -13.558 8.382 1.00 60.01 H new ATOM 0 HA TRP A 63 18.541 -12.907 10.927 1.00 62.11 H new ATOM 0 HB2 TRP A 63 19.121 -12.179 8.434 1.00 2.10 H new ATOM 0 HB3 TRP A 63 17.952 -10.911 8.748 1.00 2.10 H new ATOM 0 HD1 TRP A 63 18.626 -9.020 10.561 1.00 73.20 H new ATOM 0 HE1 TRP A 63 20.888 -8.296 11.584 1.00 22.21 H new ATOM 0 HE3 TRP A 63 21.391 -13.106 9.231 1.00 72.52 H new ATOM 0 HZ2 TRP A 63 23.484 -9.363 11.774 1.00 31.05 H new ATOM 0 HZ3 TRP A 63 23.768 -13.184 9.871 1.00 13.44 H new ATOM 0 HH2 TRP A 63 24.798 -11.336 11.130 1.00 22.53 H new ATOM 1009 N ALA A 64 15.659 -11.558 10.046 1.00 21.41 N ATOM 1010 CA ALA A 64 14.491 -10.854 10.560 1.00 21.24 C ATOM 1011 C ALA A 64 13.954 -11.528 11.818 1.00 34.23 C ATOM 1012 O ALA A 64 13.408 -10.868 12.702 1.00 43.12 O ATOM 1013 CB ALA A 64 13.408 -10.780 9.495 1.00 74.53 C ATOM 0 H ALA A 64 15.582 -11.845 9.070 1.00 21.41 H new ATOM 0 HA ALA A 64 14.795 -9.841 10.824 1.00 21.24 H new ATOM 0 HB1 ALA A 64 12.542 -10.252 9.893 1.00 74.53 H new ATOM 0 HB2 ALA A 64 13.790 -10.247 8.624 1.00 74.53 H new ATOM 0 HB3 ALA A 64 13.115 -11.789 9.203 1.00 74.53 H new ATOM 1019 N GLU A 65 14.111 -12.846 11.891 1.00 32.22 N ATOM 1020 CA GLU A 65 13.639 -13.609 13.041 1.00 1.42 C ATOM 1021 C GLU A 65 14.566 -13.417 14.238 1.00 30.13 C ATOM 1022 O GLU A 65 14.154 -13.575 15.388 1.00 23.01 O ATOM 1023 CB GLU A 65 13.541 -15.095 12.691 1.00 45.24 C ATOM 1024 CG GLU A 65 12.488 -15.405 11.641 1.00 52.54 C ATOM 1025 CD GLU A 65 12.298 -16.894 11.426 1.00 41.41 C ATOM 1026 OE1 GLU A 65 13.312 -17.606 11.275 1.00 5.21 O ATOM 1027 OE2 GLU A 65 11.134 -17.346 11.409 1.00 22.40 O ATOM 0 H GLU A 65 14.561 -13.407 11.168 1.00 32.22 H new ATOM 0 HA GLU A 65 12.648 -13.241 13.307 1.00 1.42 H new ATOM 0 HB2 GLU A 65 14.511 -15.440 12.333 1.00 45.24 H new ATOM 0 HB3 GLU A 65 13.316 -15.659 13.596 1.00 45.24 H new ATOM 0 HG2 GLU A 65 11.539 -14.961 11.942 1.00 52.54 H new ATOM 0 HG3 GLU A 65 12.773 -14.939 10.698 1.00 52.54 H new ATOM 1034 N HIS A 66 15.820 -13.076 13.960 1.00 63.25 N ATOM 1035 CA HIS A 66 16.807 -12.863 15.013 1.00 54.13 C ATOM 1036 C HIS A 66 16.413 -11.682 15.895 1.00 51.24 C ATOM 1037 O HIS A 66 16.339 -11.805 17.118 1.00 54.50 O ATOM 1038 CB HIS A 66 18.189 -12.622 14.405 1.00 73.21 C ATOM 1039 CG HIS A 66 19.243 -13.549 14.927 1.00 35.44 C ATOM 1040 ND1 HIS A 66 19.382 -13.852 16.265 1.00 24.33 N ATOM 1041 CD2 HIS A 66 20.210 -14.243 14.283 1.00 74.40 C ATOM 1042 CE1 HIS A 66 20.391 -14.691 16.422 1.00 70.05 C ATOM 1043 NE2 HIS A 66 20.910 -14.945 15.234 1.00 52.34 N ATOM 0 H HIS A 66 16.177 -12.941 13.014 1.00 63.25 H new ATOM 0 HA HIS A 66 16.842 -13.760 15.631 1.00 54.13 H new ATOM 0 HB2 HIS A 66 18.125 -12.731 13.322 1.00 73.21 H new ATOM 0 HB3 HIS A 66 18.490 -11.594 14.604 1.00 73.21 H new ATOM 0 HD2 HIS A 66 20.397 -14.245 13.219 1.00 74.40 H new ATOM 0 HE1 HIS A 66 20.733 -15.099 17.361 1.00 70.05 H new ATOM 0 HE2 HIS A 66 21.702 -15.562 15.052 1.00 52.34 H new ATOM 1051 N LEU A 67 16.162 -10.538 15.266 1.00 24.43 N ATOM 1052 CA LEU A 67 15.777 -9.334 15.994 1.00 71.21 C ATOM 1053 C LEU A 67 14.369 -9.471 16.566 1.00 44.31 C ATOM 1054 O LEU A 67 14.090 -9.008 17.671 1.00 5.34 O ATOM 1055 CB LEU A 67 15.850 -8.114 15.075 1.00 51.34 C ATOM 1056 CG LEU A 67 14.784 -8.032 13.981 1.00 63.40 C ATOM 1057 CD1 LEU A 67 13.588 -7.224 14.460 1.00 24.40 C ATOM 1058 CD2 LEU A 67 15.367 -7.426 12.713 1.00 52.32 C ATOM 0 H LEU A 67 16.218 -10.419 14.254 1.00 24.43 H new ATOM 0 HA LEU A 67 16.474 -9.200 16.821 1.00 71.21 H new ATOM 0 HB2 LEU A 67 15.781 -7.217 15.690 1.00 51.34 H new ATOM 0 HB3 LEU A 67 16.831 -8.100 14.600 1.00 51.34 H new ATOM 0 HG LEU A 67 14.445 -9.043 13.754 1.00 63.40 H new ATOM 0 HD11 LEU A 67 12.840 -7.177 13.668 1.00 24.40 H new ATOM 0 HD12 LEU A 67 13.155 -7.701 15.340 1.00 24.40 H new ATOM 0 HD13 LEU A 67 13.910 -6.215 14.716 1.00 24.40 H new ATOM 0 HD21 LEU A 67 14.595 -7.375 11.946 1.00 52.32 H new ATOM 0 HD22 LEU A 67 15.734 -6.422 12.925 1.00 52.32 H new ATOM 0 HD23 LEU A 67 16.190 -8.046 12.359 1.00 52.32 H new ATOM 1070 N ALA A 68 13.487 -10.111 15.806 1.00 60.10 N ATOM 1071 CA ALA A 68 12.110 -10.313 16.239 1.00 51.41 C ATOM 1072 C ALA A 68 12.050 -11.181 17.491 1.00 15.53 C ATOM 1073 O ALA A 68 11.112 -11.081 18.281 1.00 14.45 O ATOM 1074 CB ALA A 68 11.291 -10.939 15.120 1.00 22.40 C ATOM 0 H ALA A 68 13.701 -10.499 14.887 1.00 60.10 H new ATOM 0 HA ALA A 68 11.686 -9.339 16.483 1.00 51.41 H new ATOM 0 HB1 ALA A 68 10.265 -11.084 15.458 1.00 22.40 H new ATOM 0 HB2 ALA A 68 11.298 -10.280 14.252 1.00 22.40 H new ATOM 0 HB3 ALA A 68 11.723 -11.902 14.848 1.00 22.40 H new ATOM 1080 N GLU A 69 13.056 -12.032 17.665 1.00 54.03 N ATOM 1081 CA GLU A 69 13.115 -12.918 18.821 1.00 35.41 C ATOM 1082 C GLU A 69 13.642 -12.179 20.047 1.00 1.22 C ATOM 1083 O GLU A 69 13.384 -12.576 21.183 1.00 21.33 O ATOM 1084 CB GLU A 69 14.002 -14.128 18.520 1.00 45.40 C ATOM 1085 CG GLU A 69 13.294 -15.225 17.744 1.00 51.13 C ATOM 1086 CD GLU A 69 12.972 -16.432 18.603 1.00 73.23 C ATOM 1087 OE1 GLU A 69 13.863 -16.880 19.354 1.00 2.33 O ATOM 1088 OE2 GLU A 69 11.829 -16.930 18.523 1.00 1.44 O ATOM 0 H GLU A 69 13.841 -12.126 17.020 1.00 54.03 H new ATOM 0 HA GLU A 69 12.103 -13.263 19.034 1.00 35.41 H new ATOM 0 HB2 GLU A 69 14.872 -13.798 17.953 1.00 45.40 H new ATOM 0 HB3 GLU A 69 14.371 -14.540 19.459 1.00 45.40 H new ATOM 0 HG2 GLU A 69 12.371 -14.828 17.321 1.00 51.13 H new ATOM 0 HG3 GLU A 69 13.920 -15.536 16.908 1.00 51.13 H new ATOM 1095 N TRP A 70 14.382 -11.102 19.808 1.00 21.30 N ATOM 1096 CA TRP A 70 14.947 -10.307 20.892 1.00 30.14 C ATOM 1097 C TRP A 70 13.892 -10.003 21.951 1.00 45.33 C ATOM 1098 O TRP A 70 14.106 -10.243 23.139 1.00 0.34 O ATOM 1099 CB TRP A 70 15.530 -9.003 20.346 1.00 40.02 C ATOM 1100 CG TRP A 70 16.452 -8.316 21.307 1.00 41.31 C ATOM 1101 CD1 TRP A 70 17.720 -8.697 21.641 1.00 44.34 C ATOM 1102 CD2 TRP A 70 16.176 -7.129 22.059 1.00 24.23 C ATOM 1103 NE1 TRP A 70 18.250 -7.818 22.555 1.00 33.53 N ATOM 1104 CE2 TRP A 70 17.323 -6.847 22.828 1.00 72.52 C ATOM 1105 CE3 TRP A 70 15.074 -6.276 22.157 1.00 32.31 C ATOM 1106 CZ2 TRP A 70 17.395 -5.750 23.682 1.00 71.31 C ATOM 1107 CZ3 TRP A 70 15.147 -5.188 23.005 1.00 12.14 C ATOM 1108 CH2 TRP A 70 16.301 -4.932 23.758 1.00 33.01 C ATOM 0 H TRP A 70 14.605 -10.759 18.873 1.00 21.30 H new ATOM 0 HA TRP A 70 15.745 -10.886 21.356 1.00 30.14 H new ATOM 0 HB2 TRP A 70 16.070 -9.213 19.423 1.00 40.02 H new ATOM 0 HB3 TRP A 70 14.714 -8.327 20.091 1.00 40.02 H new ATOM 0 HD1 TRP A 70 18.231 -9.562 21.245 1.00 44.34 H new ATOM 0 HE1 TRP A 70 19.183 -7.879 22.964 1.00 33.53 H new ATOM 0 HE3 TRP A 70 14.181 -6.464 21.580 1.00 32.31 H new ATOM 0 HZ2 TRP A 70 18.283 -5.552 24.264 1.00 71.31 H new ATOM 0 HZ3 TRP A 70 14.300 -4.523 23.089 1.00 12.14 H new ATOM 0 HH2 TRP A 70 16.327 -4.072 24.411 1.00 33.01 H new ATOM 1119 N ILE A 71 12.755 -9.474 21.512 1.00 43.23 N ATOM 1120 CA ILE A 71 11.668 -9.138 22.422 1.00 32.54 C ATOM 1121 C ILE A 71 11.333 -10.313 23.335 1.00 22.23 C ATOM 1122 O ILE A 71 10.984 -10.127 24.502 1.00 72.42 O ATOM 1123 CB ILE A 71 10.399 -8.722 21.655 1.00 42.30 C ATOM 1124 CG1 ILE A 71 10.094 -9.730 20.545 1.00 41.51 C ATOM 1125 CG2 ILE A 71 10.565 -7.324 21.078 1.00 55.31 C ATOM 1126 CD1 ILE A 71 8.757 -10.418 20.705 1.00 72.13 C ATOM 0 H ILE A 71 12.563 -9.269 20.531 1.00 43.23 H new ATOM 0 HA ILE A 71 12.010 -8.297 23.025 1.00 32.54 H new ATOM 0 HB ILE A 71 9.559 -8.710 22.349 1.00 42.30 H new ATOM 0 HG12 ILE A 71 10.117 -9.217 19.583 1.00 41.51 H new ATOM 0 HG13 ILE A 71 10.881 -10.484 20.523 1.00 41.51 H new ATOM 0 HG21 ILE A 71 9.660 -7.043 20.539 1.00 55.31 H new ATOM 0 HG22 ILE A 71 10.740 -6.615 21.887 1.00 55.31 H new ATOM 0 HG23 ILE A 71 11.414 -7.311 20.394 1.00 55.31 H new ATOM 0 HD11 ILE A 71 8.607 -11.118 19.883 1.00 72.13 H new ATOM 0 HD12 ILE A 71 8.737 -10.959 21.651 1.00 72.13 H new ATOM 0 HD13 ILE A 71 7.961 -9.673 20.696 1.00 72.13 H new ATOM 1138 N LEU A 72 11.444 -11.523 22.798 1.00 52.01 N ATOM 1139 CA LEU A 72 11.155 -12.730 23.565 1.00 70.14 C ATOM 1140 C LEU A 72 12.202 -12.948 24.652 1.00 12.24 C ATOM 1141 O LEU A 72 11.865 -13.150 25.819 1.00 44.44 O ATOM 1142 CB LEU A 72 11.105 -13.946 22.638 1.00 32.43 C ATOM 1143 CG LEU A 72 10.202 -13.819 21.411 1.00 51.41 C ATOM 1144 CD1 LEU A 72 10.538 -14.891 20.387 1.00 64.23 C ATOM 1145 CD2 LEU A 72 8.737 -13.905 21.815 1.00 63.11 C ATOM 0 H LEU A 72 11.732 -11.695 21.835 1.00 52.01 H new ATOM 0 HA LEU A 72 10.183 -12.604 24.043 1.00 70.14 H new ATOM 0 HB2 LEU A 72 12.118 -14.160 22.298 1.00 32.43 H new ATOM 0 HB3 LEU A 72 10.775 -14.807 23.219 1.00 32.43 H new ATOM 0 HG LEU A 72 10.376 -12.844 20.956 1.00 51.41 H new ATOM 0 HD11 LEU A 72 9.885 -14.784 19.521 1.00 64.23 H new ATOM 0 HD12 LEU A 72 11.576 -14.782 20.074 1.00 64.23 H new ATOM 0 HD13 LEU A 72 10.394 -15.876 20.831 1.00 64.23 H new ATOM 0 HD21 LEU A 72 8.109 -13.813 20.929 1.00 63.11 H new ATOM 0 HD22 LEU A 72 8.548 -14.865 22.295 1.00 63.11 H new ATOM 0 HD23 LEU A 72 8.503 -13.099 22.511 1.00 63.11 H new ATOM 1157 N GLU A 73 13.472 -12.903 24.262 1.00 72.21 N ATOM 1158 CA GLU A 73 14.567 -13.094 25.205 1.00 64.41 C ATOM 1159 C GLU A 73 14.538 -12.029 26.297 1.00 52.44 C ATOM 1160 O GLU A 73 15.004 -12.255 27.414 1.00 41.13 O ATOM 1161 CB GLU A 73 15.911 -13.055 24.474 1.00 3.35 C ATOM 1162 CG GLU A 73 16.895 -14.110 24.952 1.00 0.30 C ATOM 1163 CD GLU A 73 17.655 -14.758 23.811 1.00 0.30 C ATOM 1164 OE1 GLU A 73 18.615 -14.137 23.309 1.00 23.30 O ATOM 1165 OE2 GLU A 73 17.289 -15.886 23.421 1.00 71.25 O ATOM 0 H GLU A 73 13.768 -12.736 23.300 1.00 72.21 H new ATOM 0 HA GLU A 73 14.444 -14.071 25.672 1.00 64.41 H new ATOM 0 HB2 GLU A 73 15.738 -13.189 23.406 1.00 3.35 H new ATOM 0 HB3 GLU A 73 16.357 -12.069 24.604 1.00 3.35 H new ATOM 0 HG2 GLU A 73 17.604 -13.654 25.643 1.00 0.30 H new ATOM 0 HG3 GLU A 73 16.357 -14.878 25.508 1.00 0.30 H new ATOM 1172 N HIS A 74 13.987 -10.865 25.965 1.00 34.30 N ATOM 1173 CA HIS A 74 13.896 -9.763 26.917 1.00 73.55 C ATOM 1174 C HIS A 74 15.275 -9.394 27.453 1.00 43.52 C ATOM 1175 O HIS A 74 16.296 -9.743 26.860 1.00 64.23 O ATOM 1176 CB HIS A 74 12.969 -10.137 28.074 1.00 50.40 C ATOM 1177 CG HIS A 74 11.811 -9.201 28.240 1.00 62.13 C ATOM 1178 ND1 HIS A 74 10.592 -9.397 27.627 1.00 75.10 N ATOM 1179 CD2 HIS A 74 11.691 -8.059 28.956 1.00 45.31 C ATOM 1180 CE1 HIS A 74 9.772 -8.415 27.958 1.00 43.14 C ATOM 1181 NE2 HIS A 74 10.415 -7.590 28.764 1.00 43.52 N ATOM 0 H HIS A 74 13.597 -10.661 25.045 1.00 34.30 H new ATOM 0 HA HIS A 74 13.485 -8.898 26.397 1.00 73.55 H new ATOM 0 HB2 HIS A 74 12.590 -11.146 27.913 1.00 50.40 H new ATOM 0 HB3 HIS A 74 13.545 -10.157 28.999 1.00 50.40 H new ATOM 0 HD2 HIS A 74 12.457 -7.602 29.565 1.00 45.31 H new ATOM 0 HE1 HIS A 74 8.750 -8.306 27.626 1.00 43.14 H new ATOM 0 HE2 HIS A 74 10.027 -6.742 29.177 1.00 43.52 H new