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 Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0693 X(o=-0.069,f=-0.44) USER MOD Single : A 19 ASN : amide:sc= -0.507 X(o=-0.51,f=-0.26) USER MOD Single : A 23 TYR OH : rot 150:sc= -0.914! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.0059) 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+ -152:sc= -0.127 (180deg=-0.696) USER MOD Single : A 46 SER OG : rot -58:sc= 0.481 USER MOD Single : A 47 GLN : amide:sc= -0.303 K(o=-0.3,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.1) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.0933 F(o=-0.64,f=-0.093) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 25 N THR A 3 5.015 -3.651 -1.392 1.00 33.33 N ATOM 26 CA THR A 3 6.295 -4.110 -1.915 1.00 41.14 C ATOM 27 C THR A 3 7.057 -4.920 -0.873 1.00 61.20 C ATOM 28 O THR A 3 6.941 -4.670 0.327 1.00 23.11 O ATOM 29 CB THR A 3 7.171 -2.928 -2.371 1.00 43.04 C ATOM 30 OG1 THR A 3 8.435 -3.409 -2.844 1.00 55.54 O ATOM 31 CG2 THR A 3 7.391 -1.946 -1.231 1.00 4.22 C ATOM 0 HA THR A 3 6.076 -4.744 -2.774 1.00 41.14 H new ATOM 0 HB THR A 3 6.653 -2.411 -3.179 1.00 43.04 H new ATOM 0 HG1 THR A 3 8.986 -2.652 -3.134 1.00 55.54 H new ATOM 0 HG21 THR A 3 8.012 -1.120 -1.577 1.00 4.22 H new ATOM 0 HG22 THR A 3 6.429 -1.560 -0.893 1.00 4.22 H new ATOM 0 HG23 THR A 3 7.889 -2.453 -0.405 1.00 4.22 H new ATOM 39 N ILE A 4 7.836 -5.891 -1.339 1.00 2.45 N ATOM 40 CA ILE A 4 8.619 -6.736 -0.445 1.00 74.05 C ATOM 41 C ILE A 4 9.448 -5.896 0.520 1.00 30.31 C ATOM 42 O ILE A 4 9.532 -6.201 1.710 1.00 75.20 O ATOM 43 CB ILE A 4 9.557 -7.670 -1.233 1.00 1.44 C ATOM 44 CG1 ILE A 4 8.748 -8.575 -2.164 1.00 2.03 C ATOM 45 CG2 ILE A 4 10.400 -8.501 -0.277 1.00 64.05 C ATOM 46 CD1 ILE A 4 7.716 -9.414 -1.444 1.00 15.22 C ATOM 0 H ILE A 4 7.942 -6.112 -2.329 1.00 2.45 H new ATOM 0 HA ILE A 4 7.910 -7.340 0.121 1.00 74.05 H new ATOM 0 HB ILE A 4 10.226 -7.061 -1.842 1.00 1.44 H new ATOM 0 HG12 ILE A 4 8.247 -7.959 -2.911 1.00 2.03 H new ATOM 0 HG13 ILE A 4 9.431 -9.234 -2.700 1.00 2.03 H new ATOM 0 HG21 ILE A 4 11.058 -9.156 -0.848 1.00 64.05 H new ATOM 0 HG22 ILE A 4 11.000 -7.840 0.348 1.00 64.05 H new ATOM 0 HG23 ILE A 4 9.747 -9.103 0.354 1.00 64.05 H new ATOM 0 HD11 ILE A 4 7.180 -10.031 -2.166 1.00 15.22 H new ATOM 0 HD12 ILE A 4 8.212 -10.056 -0.716 1.00 15.22 H new ATOM 0 HD13 ILE A 4 7.010 -8.761 -0.930 1.00 15.22 H new ATOM 58 N ASP A 5 10.058 -4.837 0.000 1.00 10.13 N ATOM 59 CA ASP A 5 10.879 -3.950 0.817 1.00 71.22 C ATOM 60 C ASP A 5 10.109 -3.476 2.046 1.00 45.44 C ATOM 61 O ASP A 5 10.698 -3.209 3.094 1.00 53.44 O ATOM 62 CB ASP A 5 11.342 -2.747 -0.006 1.00 70.24 C ATOM 63 CG ASP A 5 12.852 -2.611 -0.034 1.00 14.24 C ATOM 64 OD1 ASP A 5 13.450 -2.428 1.047 1.00 52.40 O ATOM 65 OD2 ASP A 5 13.435 -2.687 -1.135 1.00 51.55 O ATOM 0 H ASP A 5 10.000 -4.571 -0.983 1.00 10.13 H new ATOM 0 HA ASP A 5 11.753 -4.509 1.151 1.00 71.22 H new ATOM 0 HB2 ASP A 5 10.970 -2.843 -1.026 1.00 70.24 H new ATOM 0 HB3 ASP A 5 10.906 -1.838 0.408 1.00 70.24 H new ATOM 70 N ASP A 6 8.792 -3.372 1.909 1.00 62.03 N ATOM 71 CA ASP A 6 7.942 -2.929 3.008 1.00 72.43 C ATOM 72 C ASP A 6 7.984 -3.925 4.162 1.00 32.44 C ATOM 73 O ASP A 6 7.936 -3.539 5.330 1.00 62.41 O ATOM 74 CB ASP A 6 6.502 -2.749 2.526 1.00 74.15 C ATOM 75 CG ASP A 6 5.768 -1.663 3.288 1.00 75.53 C ATOM 76 OD1 ASP A 6 6.379 -0.607 3.552 1.00 54.31 O ATOM 77 OD2 ASP A 6 4.582 -1.870 3.619 1.00 34.23 O ATOM 0 H ASP A 6 8.290 -3.588 1.048 1.00 62.03 H new ATOM 0 HA ASP A 6 8.320 -1.971 3.364 1.00 72.43 H new ATOM 0 HB2 ASP A 6 6.505 -2.505 1.464 1.00 74.15 H new ATOM 0 HB3 ASP A 6 5.965 -3.691 2.635 1.00 74.15 H new ATOM 82 N ALA A 7 8.072 -5.208 3.828 1.00 63.55 N ATOM 83 CA ALA A 7 8.122 -6.260 4.836 1.00 15.42 C ATOM 84 C ALA A 7 9.366 -6.126 5.708 1.00 73.22 C ATOM 85 O ALA A 7 9.303 -6.290 6.926 1.00 33.44 O ATOM 86 CB ALA A 7 8.083 -7.629 4.174 1.00 41.21 C ATOM 0 H ALA A 7 8.110 -5.544 2.866 1.00 63.55 H new ATOM 0 HA ALA A 7 7.247 -6.155 5.478 1.00 15.42 H new ATOM 0 HB1 ALA A 7 8.121 -8.404 4.939 1.00 41.21 H new ATOM 0 HB2 ALA A 7 7.161 -7.730 3.601 1.00 41.21 H new ATOM 0 HB3 ALA A 7 8.939 -7.735 3.507 1.00 41.21 H new ATOM 92 N PHE A 8 10.496 -5.828 5.076 1.00 60.12 N ATOM 93 CA PHE A 8 11.756 -5.674 5.794 1.00 72.40 C ATOM 94 C PHE A 8 11.776 -4.368 6.583 1.00 64.33 C ATOM 95 O PHE A 8 12.389 -4.283 7.647 1.00 31.22 O ATOM 96 CB PHE A 8 12.932 -5.712 4.816 1.00 4.45 C ATOM 97 CG PHE A 8 12.848 -6.831 3.819 1.00 55.04 C ATOM 98 CD1 PHE A 8 12.502 -8.111 4.221 1.00 12.11 C ATOM 99 CD2 PHE A 8 13.114 -6.603 2.478 1.00 21.31 C ATOM 100 CE1 PHE A 8 12.422 -9.143 3.305 1.00 24.23 C ATOM 101 CE2 PHE A 8 13.036 -7.631 1.558 1.00 71.42 C ATOM 102 CZ PHE A 8 12.691 -8.903 1.972 1.00 31.20 C ATOM 0 H PHE A 8 10.565 -5.688 4.068 1.00 60.12 H new ATOM 0 HA PHE A 8 11.850 -6.503 6.496 1.00 72.40 H new ATOM 0 HB2 PHE A 8 12.980 -4.763 4.282 1.00 4.45 H new ATOM 0 HB3 PHE A 8 13.860 -5.808 5.380 1.00 4.45 H new ATOM 0 HD1 PHE A 8 12.292 -8.305 5.263 1.00 12.11 H new ATOM 0 HD2 PHE A 8 13.385 -5.611 2.149 1.00 21.31 H new ATOM 0 HE1 PHE A 8 12.149 -10.136 3.631 1.00 24.23 H new ATOM 0 HE2 PHE A 8 13.245 -7.440 0.516 1.00 71.42 H new ATOM 0 HZ PHE A 8 12.632 -9.708 1.255 1.00 31.20 H new ATOM 112 N ARG A 9 11.103 -3.353 6.052 1.00 40.11 N ATOM 113 CA ARG A 9 11.045 -2.050 6.704 1.00 20.43 C ATOM 114 C ARG A 9 10.076 -2.075 7.883 1.00 71.33 C ATOM 115 O ARG A 9 10.270 -1.372 8.874 1.00 63.41 O ATOM 116 CB ARG A 9 10.621 -0.974 5.704 1.00 53.41 C ATOM 117 CG ARG A 9 11.720 -0.578 4.732 1.00 62.22 C ATOM 118 CD ARG A 9 11.298 0.593 3.859 1.00 14.44 C ATOM 119 NE ARG A 9 10.964 1.774 4.652 1.00 23.11 N ATOM 120 CZ ARG A 9 10.454 2.886 4.135 1.00 32.03 C ATOM 121 NH1 ARG A 9 10.219 2.969 2.833 1.00 33.31 N ATOM 122 NH2 ARG A 9 10.177 3.918 4.922 1.00 52.23 N ATOM 0 H ARG A 9 10.590 -3.408 5.172 1.00 40.11 H new ATOM 0 HA ARG A 9 12.041 -1.815 7.079 1.00 20.43 H new ATOM 0 HB2 ARG A 9 9.761 -1.334 5.139 1.00 53.41 H new ATOM 0 HB3 ARG A 9 10.296 -0.089 6.251 1.00 53.41 H new ATOM 0 HG2 ARG A 9 12.620 -0.313 5.287 1.00 62.22 H new ATOM 0 HG3 ARG A 9 11.974 -1.430 4.101 1.00 62.22 H new ATOM 0 HD2 ARG A 9 12.103 0.837 3.166 1.00 14.44 H new ATOM 0 HD3 ARG A 9 10.436 0.305 3.257 1.00 14.44 H new ATOM 0 HE ARG A 9 11.132 1.743 5.658 1.00 23.11 H new ATOM 0 HH11 ARG A 9 10.430 2.177 2.225 1.00 33.31 H new ATOM 0 HH12 ARG A 9 9.827 3.824 2.439 1.00 33.31 H new ATOM 0 HH21 ARG A 9 10.356 3.857 5.924 1.00 52.23 H new ATOM 0 HH22 ARG A 9 9.785 4.772 4.525 1.00 52.23 H new ATOM 136 N ALA A 10 9.032 -2.889 7.766 1.00 32.34 N ATOM 137 CA ALA A 10 8.034 -3.007 8.822 1.00 55.11 C ATOM 138 C ALA A 10 8.562 -3.836 9.987 1.00 21.05 C ATOM 139 O ALA A 10 8.130 -3.667 11.128 1.00 12.30 O ATOM 140 CB ALA A 10 6.754 -3.620 8.273 1.00 62.55 C ATOM 0 H ALA A 10 8.855 -3.476 6.951 1.00 32.34 H new ATOM 0 HA ALA A 10 7.814 -2.006 9.193 1.00 55.11 H new ATOM 0 HB1 ALA A 10 6.018 -3.702 9.073 1.00 62.55 H new ATOM 0 HB2 ALA A 10 6.358 -2.986 7.479 1.00 62.55 H new ATOM 0 HB3 ALA A 10 6.968 -4.611 7.873 1.00 62.55 H new ATOM 146 N ILE A 11 9.498 -4.732 9.693 1.00 31.25 N ATOM 147 CA ILE A 11 10.085 -5.587 10.718 1.00 70.02 C ATOM 148 C ILE A 11 10.585 -4.764 11.900 1.00 31.13 C ATOM 149 O ILE A 11 10.625 -5.247 13.031 1.00 5.24 O ATOM 150 CB ILE A 11 11.253 -6.419 10.155 1.00 12.15 C ATOM 151 CG1 ILE A 11 11.409 -7.719 10.947 1.00 73.34 C ATOM 152 CG2 ILE A 11 12.543 -5.613 10.191 1.00 14.12 C ATOM 153 CD1 ILE A 11 10.569 -8.857 10.410 1.00 70.30 C ATOM 0 H ILE A 11 9.866 -4.885 8.754 1.00 31.25 H new ATOM 0 HA ILE A 11 9.298 -6.262 11.055 1.00 70.02 H new ATOM 0 HB ILE A 11 11.034 -6.671 9.117 1.00 12.15 H new ATOM 0 HG12 ILE A 11 12.458 -8.017 10.939 1.00 73.34 H new ATOM 0 HG13 ILE A 11 11.137 -7.537 11.987 1.00 73.34 H new ATOM 0 HG21 ILE A 11 13.359 -6.214 9.790 1.00 14.12 H new ATOM 0 HG22 ILE A 11 12.426 -4.712 9.589 1.00 14.12 H new ATOM 0 HG23 ILE A 11 12.769 -5.334 11.220 1.00 14.12 H new ATOM 0 HD11 ILE A 11 10.729 -9.747 11.019 1.00 70.30 H new ATOM 0 HD12 ILE A 11 9.516 -8.579 10.444 1.00 70.30 H new ATOM 0 HD13 ILE A 11 10.856 -9.066 9.380 1.00 70.30 H new ATOM 165 N GLU A 12 10.963 -3.519 11.630 1.00 52.40 N ATOM 166 CA GLU A 12 11.459 -2.628 12.673 1.00 60.23 C ATOM 167 C GLU A 12 10.377 -2.353 13.713 1.00 23.14 C ATOM 168 O GLU A 12 10.662 -2.241 14.906 1.00 65.32 O ATOM 169 CB GLU A 12 11.942 -1.311 12.062 1.00 13.23 C ATOM 170 CG GLU A 12 12.782 -0.472 13.011 1.00 62.43 C ATOM 171 CD GLU A 12 13.043 0.924 12.480 1.00 61.22 C ATOM 172 OE1 GLU A 12 12.189 1.809 12.696 1.00 2.33 O ATOM 173 OE2 GLU A 12 14.100 1.131 11.848 1.00 10.21 O ATOM 0 H GLU A 12 10.935 -3.104 10.699 1.00 52.40 H new ATOM 0 HA GLU A 12 12.297 -3.119 13.167 1.00 60.23 H new ATOM 0 HB2 GLU A 12 12.526 -1.528 11.168 1.00 13.23 H new ATOM 0 HB3 GLU A 12 11.077 -0.729 11.744 1.00 13.23 H new ATOM 0 HG2 GLU A 12 12.275 -0.402 13.973 1.00 62.43 H new ATOM 0 HG3 GLU A 12 13.734 -0.973 13.188 1.00 62.43 H new ATOM 180 N ARG A 13 9.135 -2.245 13.253 1.00 44.41 N ATOM 181 CA ARG A 13 8.011 -1.981 14.143 1.00 50.24 C ATOM 182 C ARG A 13 7.856 -3.099 15.169 1.00 1.03 C ATOM 183 O ARG A 13 7.372 -2.874 16.278 1.00 24.22 O ATOM 184 CB ARG A 13 6.719 -1.832 13.336 1.00 4.45 C ATOM 185 CG ARG A 13 5.906 -0.603 13.711 1.00 63.21 C ATOM 186 CD ARG A 13 6.462 0.653 13.058 1.00 31.12 C ATOM 187 NE ARG A 13 6.332 1.822 13.923 1.00 2.42 N ATOM 188 CZ ARG A 13 5.183 2.453 14.139 1.00 21.45 C ATOM 189 NH1 ARG A 13 4.070 2.028 13.557 1.00 23.33 N ATOM 190 NH2 ARG A 13 5.145 3.510 14.940 1.00 4.12 N ATOM 0 H ARG A 13 8.882 -2.336 12.269 1.00 44.41 H new ATOM 0 HA ARG A 13 8.210 -1.050 14.673 1.00 50.24 H new ATOM 0 HB2 ARG A 13 6.966 -1.784 12.275 1.00 4.45 H new ATOM 0 HB3 ARG A 13 6.105 -2.721 13.480 1.00 4.45 H new ATOM 0 HG2 ARG A 13 4.869 -0.744 13.406 1.00 63.21 H new ATOM 0 HG3 ARG A 13 5.906 -0.482 14.794 1.00 63.21 H new ATOM 0 HD2 ARG A 13 7.513 0.499 12.812 1.00 31.12 H new ATOM 0 HD3 ARG A 13 5.938 0.836 12.120 1.00 31.12 H new ATOM 0 HE ARG A 13 7.170 2.174 14.387 1.00 2.42 H new ATOM 0 HH11 ARG A 13 4.095 1.215 12.942 1.00 23.33 H new ATOM 0 HH12 ARG A 13 3.189 2.514 13.725 1.00 23.33 H new ATOM 0 HH21 ARG A 13 5.999 3.839 15.391 1.00 4.12 H new ATOM 0 HH22 ARG A 13 4.262 3.993 15.105 1.00 4.12 H new ATOM 204 N ALA A 14 8.270 -4.304 14.791 1.00 34.00 N ATOM 205 CA ALA A 14 8.178 -5.457 15.679 1.00 43.52 C ATOM 206 C ALA A 14 9.228 -5.384 16.782 1.00 1.14 C ATOM 207 O ALA A 14 8.911 -5.526 17.964 1.00 51.13 O ATOM 208 CB ALA A 14 8.331 -6.746 14.886 1.00 30.44 C ATOM 0 H ALA A 14 8.672 -4.507 13.876 1.00 34.00 H new ATOM 0 HA ALA A 14 7.194 -5.447 16.148 1.00 43.52 H new ATOM 0 HB1 ALA A 14 8.260 -7.599 15.561 1.00 30.44 H new ATOM 0 HB2 ALA A 14 7.541 -6.809 14.138 1.00 30.44 H new ATOM 0 HB3 ALA A 14 9.302 -6.755 14.390 1.00 30.44 H new ATOM 214 N ILE A 15 10.478 -5.163 16.390 1.00 41.11 N ATOM 215 CA ILE A 15 11.574 -5.071 17.347 1.00 72.42 C ATOM 216 C ILE A 15 11.451 -3.816 18.204 1.00 24.43 C ATOM 217 O ILE A 15 11.764 -3.834 19.394 1.00 14.15 O ATOM 218 CB ILE A 15 12.941 -5.064 16.638 1.00 41.21 C ATOM 219 CG1 ILE A 15 14.072 -4.982 17.665 1.00 1.31 C ATOM 220 CG2 ILE A 15 13.023 -3.903 15.658 1.00 61.12 C ATOM 221 CD1 ILE A 15 15.191 -5.968 17.412 1.00 41.41 C ATOM 0 H ILE A 15 10.757 -5.044 15.416 1.00 41.11 H new ATOM 0 HA ILE A 15 11.510 -5.952 17.986 1.00 72.42 H new ATOM 0 HB ILE A 15 13.049 -5.994 16.080 1.00 41.21 H new ATOM 0 HG12 ILE A 15 14.481 -3.972 17.663 1.00 1.31 H new ATOM 0 HG13 ILE A 15 13.662 -5.157 18.660 1.00 1.31 H new ATOM 0 HG21 ILE A 15 13.995 -3.911 15.165 1.00 61.12 H new ATOM 0 HG22 ILE A 15 12.236 -4.001 14.911 1.00 61.12 H new ATOM 0 HG23 ILE A 15 12.897 -2.963 16.196 1.00 61.12 H new ATOM 0 HD11 ILE A 15 15.957 -5.853 18.178 1.00 41.41 H new ATOM 0 HD12 ILE A 15 14.795 -6.983 17.444 1.00 41.41 H new ATOM 0 HD13 ILE A 15 15.628 -5.779 16.431 1.00 41.41 H new ATOM 233 N GLN A 16 10.993 -2.730 17.591 1.00 4.31 N ATOM 234 CA GLN A 16 10.828 -1.466 18.299 1.00 5.14 C ATOM 235 C GLN A 16 9.791 -1.595 19.410 1.00 70.43 C ATOM 236 O GLN A 16 9.797 -0.827 20.371 1.00 24.31 O ATOM 237 CB GLN A 16 10.415 -0.361 17.325 1.00 22.33 C ATOM 238 CG GLN A 16 11.559 0.150 16.464 1.00 30.40 C ATOM 239 CD GLN A 16 12.528 1.021 17.238 1.00 2.11 C ATOM 240 OE1 GLN A 16 13.426 0.520 17.916 1.00 41.52 O ATOM 241 NE2 GLN A 16 12.352 2.334 17.141 1.00 33.32 N ATOM 0 H GLN A 16 10.730 -2.700 16.606 1.00 4.31 H new ATOM 0 HA GLN A 16 11.785 -1.204 18.750 1.00 5.14 H new ATOM 0 HB2 GLN A 16 9.623 -0.737 16.677 1.00 22.33 H new ATOM 0 HB3 GLN A 16 9.996 0.472 17.890 1.00 22.33 H new ATOM 0 HG2 GLN A 16 12.097 -0.698 16.041 1.00 30.40 H new ATOM 0 HG3 GLN A 16 11.153 0.719 15.628 1.00 30.40 H new ATOM 0 HE21 GLN A 16 11.595 2.706 16.568 1.00 33.32 H new ATOM 0 HE22 GLN A 16 12.974 2.970 17.640 1.00 33.32 H new ATOM 250 N ALA A 17 8.900 -2.572 19.270 1.00 44.14 N ATOM 251 CA ALA A 17 7.858 -2.803 20.262 1.00 53.24 C ATOM 252 C ALA A 17 8.456 -3.227 21.598 1.00 20.34 C ATOM 253 O ALA A 17 8.215 -2.594 22.625 1.00 11.43 O ATOM 254 CB ALA A 17 6.878 -3.854 19.762 1.00 33.22 C ATOM 0 H ALA A 17 8.880 -3.216 18.479 1.00 44.14 H new ATOM 0 HA ALA A 17 7.322 -1.866 20.415 1.00 53.24 H new ATOM 0 HB1 ALA A 17 6.105 -4.017 20.513 1.00 33.22 H new ATOM 0 HB2 ALA A 17 6.418 -3.511 18.836 1.00 33.22 H new ATOM 0 HB3 ALA A 17 7.409 -4.788 19.579 1.00 33.22 H new ATOM 260 N GLU A 18 9.236 -4.303 21.577 1.00 23.44 N ATOM 261 CA GLU A 18 9.867 -4.812 22.790 1.00 63.45 C ATOM 262 C GLU A 18 8.818 -5.260 23.802 1.00 35.54 C ATOM 263 O GLU A 18 9.118 -5.450 24.980 1.00 34.22 O ATOM 264 CB GLU A 18 10.767 -3.742 23.411 1.00 41.03 C ATOM 265 CG GLU A 18 11.751 -3.129 22.428 1.00 12.25 C ATOM 266 CD GLU A 18 12.896 -4.063 22.090 1.00 23.01 C ATOM 267 OE1 GLU A 18 13.021 -5.113 22.755 1.00 3.44 O ATOM 268 OE2 GLU A 18 13.667 -3.745 21.161 1.00 44.01 O ATOM 0 H GLU A 18 9.446 -4.839 20.735 1.00 23.44 H new ATOM 0 HA GLU A 18 10.475 -5.675 22.518 1.00 63.45 H new ATOM 0 HB2 GLU A 18 10.143 -2.952 23.828 1.00 41.03 H new ATOM 0 HB3 GLU A 18 11.321 -4.182 24.240 1.00 41.03 H new ATOM 0 HG2 GLU A 18 11.224 -2.860 21.512 1.00 12.25 H new ATOM 0 HG3 GLU A 18 12.152 -2.206 22.848 1.00 12.25 H new ATOM 275 N ASN A 19 7.585 -5.427 23.334 1.00 51.11 N ATOM 276 CA ASN A 19 6.490 -5.851 24.198 1.00 34.42 C ATOM 277 C ASN A 19 5.173 -5.891 23.428 1.00 0.13 C ATOM 278 O ASN A 19 4.433 -4.908 23.395 1.00 32.55 O ATOM 279 CB ASN A 19 6.364 -4.909 25.397 1.00 21.44 C ATOM 280 CG ASN A 19 5.036 -5.059 26.113 1.00 14.33 C ATOM 281 OD1 ASN A 19 4.369 -4.070 26.422 1.00 64.45 O ATOM 282 ND2 ASN A 19 4.644 -6.299 26.381 1.00 23.15 N ATOM 0 H ASN A 19 7.320 -5.275 22.361 1.00 51.11 H new ATOM 0 HA ASN A 19 6.712 -6.856 24.556 1.00 34.42 H new ATOM 0 HB2 ASN A 19 7.176 -5.106 26.097 1.00 21.44 H new ATOM 0 HB3 ASN A 19 6.477 -3.879 25.060 1.00 21.44 H new ATOM 0 HD21 ASN A 19 3.759 -6.462 26.861 1.00 23.15 H new ATOM 0 HD22 ASN A 19 5.228 -7.089 26.107 1.00 23.15 H new ATOM 289 N GLU A 20 4.889 -7.033 22.811 1.00 34.42 N ATOM 290 CA GLU A 20 3.661 -7.200 22.042 1.00 64.25 C ATOM 291 C GLU A 20 3.276 -8.674 21.945 1.00 40.45 C ATOM 292 O GLU A 20 2.351 -9.130 22.615 1.00 52.13 O ATOM 293 CB GLU A 20 3.829 -6.612 20.639 1.00 72.11 C ATOM 294 CG GLU A 20 3.715 -5.098 20.596 1.00 11.54 C ATOM 295 CD GLU A 20 2.441 -4.590 21.244 1.00 2.11 C ATOM 296 OE1 GLU A 20 1.380 -5.215 21.035 1.00 3.10 O ATOM 297 OE2 GLU A 20 2.505 -3.568 21.959 1.00 31.31 O ATOM 0 H GLU A 20 5.492 -7.856 22.828 1.00 34.42 H new ATOM 0 HA GLU A 20 2.863 -6.667 22.559 1.00 64.25 H new ATOM 0 HB2 GLU A 20 4.802 -6.906 20.245 1.00 72.11 H new ATOM 0 HB3 GLU A 20 3.075 -7.044 19.981 1.00 72.11 H new ATOM 0 HG2 GLU A 20 4.575 -4.658 21.101 1.00 11.54 H new ATOM 0 HG3 GLU A 20 3.749 -4.764 19.559 1.00 11.54 H new ATOM 304 N GLY A 21 3.993 -9.413 21.104 1.00 43.13 N ATOM 305 CA GLY A 21 3.712 -10.826 20.933 1.00 73.20 C ATOM 306 C GLY A 21 3.135 -11.142 19.567 1.00 13.42 C ATOM 307 O GLY A 21 3.343 -12.232 19.034 1.00 5.35 O ATOM 0 H GLY A 21 4.764 -9.058 20.538 1.00 43.13 H new ATOM 0 HA2 GLY A 21 4.630 -11.396 21.077 1.00 73.20 H new ATOM 0 HA3 GLY A 21 3.012 -11.150 21.703 1.00 73.20 H new ATOM 311 N ARG A 22 2.406 -10.186 19.000 1.00 74.44 N ATOM 312 CA ARG A 22 1.794 -10.369 17.689 1.00 41.02 C ATOM 313 C ARG A 22 2.856 -10.630 16.625 1.00 44.41 C ATOM 314 O ARG A 22 2.555 -11.130 15.541 1.00 34.23 O ATOM 315 CB ARG A 22 0.970 -9.137 17.311 1.00 51.12 C ATOM 316 CG ARG A 22 1.774 -7.847 17.295 1.00 23.35 C ATOM 317 CD ARG A 22 1.225 -6.860 16.277 1.00 21.33 C ATOM 318 NE ARG A 22 0.027 -6.182 16.764 1.00 52.11 N ATOM 319 CZ ARG A 22 -0.488 -5.099 16.192 1.00 3.23 C ATOM 320 NH1 ARG A 22 0.088 -4.574 15.119 1.00 21.34 N ATOM 321 NH2 ARG A 22 -1.581 -4.538 16.694 1.00 60.42 N ATOM 0 H ARG A 22 2.225 -9.278 19.427 1.00 74.44 H new ATOM 0 HA ARG A 22 1.136 -11.236 17.741 1.00 41.02 H new ATOM 0 HB2 ARG A 22 0.530 -9.293 16.326 1.00 51.12 H new ATOM 0 HB3 ARG A 22 0.145 -9.032 18.016 1.00 51.12 H new ATOM 0 HG2 ARG A 22 1.758 -7.395 18.287 1.00 23.35 H new ATOM 0 HG3 ARG A 22 2.816 -8.069 17.063 1.00 23.35 H new ATOM 0 HD2 ARG A 22 1.990 -6.120 16.041 1.00 21.33 H new ATOM 0 HD3 ARG A 22 0.993 -7.386 15.351 1.00 21.33 H new ATOM 0 HE ARG A 22 -0.440 -6.560 17.588 1.00 52.11 H new ATOM 0 HH11 ARG A 22 0.929 -5.002 14.731 1.00 21.34 H new ATOM 0 HH12 ARG A 22 -0.310 -3.743 14.682 1.00 21.34 H new ATOM 0 HH21 ARG A 22 -2.026 -4.938 17.520 1.00 60.42 H new ATOM 0 HH22 ARG A 22 -1.976 -3.707 16.254 1.00 60.42 H new ATOM 335 N TYR A 23 4.100 -10.286 16.942 1.00 71.34 N ATOM 336 CA TYR A 23 5.207 -10.480 16.012 1.00 34.13 C ATOM 337 C TYR A 23 5.153 -11.869 15.383 1.00 20.15 C ATOM 338 O TYR A 23 5.552 -12.058 14.234 1.00 24.44 O ATOM 339 CB TYR A 23 6.543 -10.284 16.730 1.00 61.21 C ATOM 340 CG TYR A 23 6.950 -11.464 17.584 1.00 44.50 C ATOM 341 CD1 TYR A 23 6.372 -11.677 18.829 1.00 25.51 C ATOM 342 CD2 TYR A 23 7.913 -12.365 17.145 1.00 52.41 C ATOM 343 CE1 TYR A 23 6.742 -12.753 19.613 1.00 63.21 C ATOM 344 CE2 TYR A 23 8.288 -13.444 17.921 1.00 33.04 C ATOM 345 CZ TYR A 23 7.700 -13.634 19.155 1.00 40.33 C ATOM 346 OH TYR A 23 8.070 -14.707 19.932 1.00 61.31 O ATOM 0 H TYR A 23 4.367 -9.872 17.835 1.00 71.34 H new ATOM 0 HA TYR A 23 5.116 -9.738 15.218 1.00 34.13 H new ATOM 0 HB2 TYR A 23 7.320 -10.097 15.989 1.00 61.21 H new ATOM 0 HB3 TYR A 23 6.481 -9.395 17.358 1.00 61.21 H new ATOM 0 HD1 TYR A 23 5.621 -10.990 19.190 1.00 25.51 H new ATOM 0 HD2 TYR A 23 8.376 -12.219 16.180 1.00 52.41 H new ATOM 0 HE1 TYR A 23 6.284 -12.904 20.579 1.00 63.21 H new ATOM 0 HE2 TYR A 23 9.037 -14.135 17.564 1.00 33.04 H new ATOM 0 HH TYR A 23 8.344 -15.450 19.355 1.00 61.31 H new ATOM 356 N ARG A 24 4.656 -12.838 16.146 1.00 51.33 N ATOM 357 CA ARG A 24 4.550 -14.210 15.665 1.00 52.01 C ATOM 358 C ARG A 24 3.657 -14.286 14.430 1.00 51.21 C ATOM 359 O ARG A 24 3.997 -14.942 13.446 1.00 21.23 O ATOM 360 CB ARG A 24 3.995 -15.117 16.765 1.00 41.10 C ATOM 361 CG ARG A 24 2.771 -14.548 17.464 1.00 42.11 C ATOM 362 CD ARG A 24 1.570 -15.469 17.321 1.00 33.03 C ATOM 363 NE ARG A 24 1.328 -15.842 15.930 1.00 23.52 N ATOM 364 CZ ARG A 24 0.142 -16.219 15.466 1.00 62.14 C ATOM 365 NH1 ARG A 24 -0.905 -16.271 16.277 1.00 71.41 N ATOM 366 NH2 ARG A 24 0.002 -16.544 14.187 1.00 51.33 N ATOM 0 H ARG A 24 4.321 -12.698 17.099 1.00 51.33 H new ATOM 0 HA ARG A 24 5.549 -14.551 15.392 1.00 52.01 H new ATOM 0 HB2 ARG A 24 3.739 -16.084 16.332 1.00 41.10 H new ATOM 0 HB3 ARG A 24 4.775 -15.296 17.505 1.00 41.10 H new ATOM 0 HG2 ARG A 24 2.991 -14.397 18.521 1.00 42.11 H new ATOM 0 HG3 ARG A 24 2.533 -13.570 17.045 1.00 42.11 H new ATOM 0 HD2 ARG A 24 1.731 -16.369 17.915 1.00 33.03 H new ATOM 0 HD3 ARG A 24 0.685 -14.976 17.723 1.00 33.03 H new ATOM 0 HE ARG A 24 2.113 -15.811 15.279 1.00 23.52 H new ATOM 0 HH11 ARG A 24 -0.801 -16.021 17.260 1.00 71.41 H new ATOM 0 HH12 ARG A 24 -1.815 -16.561 15.918 1.00 71.41 H new ATOM 0 HH21 ARG A 24 0.805 -16.504 13.560 1.00 51.33 H new ATOM 0 HH22 ARG A 24 -0.909 -16.833 13.831 1.00 51.33 H new ATOM 380 N GLU A 25 2.514 -13.610 14.490 1.00 35.21 N ATOM 381 CA GLU A 25 1.572 -13.603 13.377 1.00 52.12 C ATOM 382 C GLU A 25 2.057 -12.683 12.260 1.00 71.32 C ATOM 383 O GLU A 25 1.778 -12.917 11.084 1.00 2.22 O ATOM 384 CB GLU A 25 0.188 -13.158 13.854 1.00 74.04 C ATOM 385 CG GLU A 25 -0.043 -11.660 13.740 1.00 20.51 C ATOM 386 CD GLU A 25 -1.188 -11.179 14.610 1.00 52.05 C ATOM 387 OE1 GLU A 25 -1.816 -12.021 15.284 1.00 33.14 O ATOM 388 OE2 GLU A 25 -1.456 -9.959 14.615 1.00 61.11 O ATOM 0 H GLU A 25 2.218 -13.061 15.297 1.00 35.21 H new ATOM 0 HA GLU A 25 1.504 -14.618 12.985 1.00 52.12 H new ATOM 0 HB2 GLU A 25 -0.572 -13.680 13.273 1.00 74.04 H new ATOM 0 HB3 GLU A 25 0.057 -13.459 14.893 1.00 74.04 H new ATOM 0 HG2 GLU A 25 0.869 -11.133 14.022 1.00 20.51 H new ATOM 0 HG3 GLU A 25 -0.250 -11.406 12.700 1.00 20.51 H new ATOM 395 N ALA A 26 2.784 -11.637 12.637 1.00 50.40 N ATOM 396 CA ALA A 26 3.309 -10.682 11.668 1.00 22.53 C ATOM 397 C ALA A 26 4.426 -11.303 10.836 1.00 21.43 C ATOM 398 O ALA A 26 4.472 -11.136 9.617 1.00 63.12 O ATOM 399 CB ALA A 26 3.809 -9.432 12.377 1.00 71.12 C ATOM 0 H ALA A 26 3.023 -11.429 13.606 1.00 50.40 H new ATOM 0 HA ALA A 26 2.500 -10.404 10.993 1.00 22.53 H new ATOM 0 HB1 ALA A 26 4.198 -8.728 11.642 1.00 71.12 H new ATOM 0 HB2 ALA A 26 2.986 -8.970 12.923 1.00 71.12 H new ATOM 0 HB3 ALA A 26 4.601 -9.702 13.075 1.00 71.12 H new ATOM 405 N LEU A 27 5.325 -12.020 11.502 1.00 1.31 N ATOM 406 CA LEU A 27 6.443 -12.666 10.824 1.00 44.34 C ATOM 407 C LEU A 27 5.952 -13.531 9.668 1.00 65.24 C ATOM 408 O LEU A 27 6.662 -13.730 8.681 1.00 11.31 O ATOM 409 CB LEU A 27 7.241 -13.519 11.812 1.00 51.14 C ATOM 410 CG LEU A 27 8.213 -12.764 12.718 1.00 4.41 C ATOM 411 CD1 LEU A 27 8.921 -13.725 13.660 1.00 1.13 C ATOM 412 CD2 LEU A 27 9.224 -11.988 11.887 1.00 44.44 C ATOM 0 H LEU A 27 5.301 -12.168 12.511 1.00 1.31 H new ATOM 0 HA LEU A 27 7.091 -11.887 10.421 1.00 44.34 H new ATOM 0 HB2 LEU A 27 6.537 -14.064 12.442 1.00 51.14 H new ATOM 0 HB3 LEU A 27 7.804 -14.262 11.247 1.00 51.14 H new ATOM 0 HG LEU A 27 7.643 -12.054 13.317 1.00 4.41 H new ATOM 0 HD11 LEU A 27 9.609 -13.169 14.297 1.00 1.13 H new ATOM 0 HD12 LEU A 27 8.184 -14.236 14.280 1.00 1.13 H new ATOM 0 HD13 LEU A 27 9.478 -14.460 13.079 1.00 1.13 H new ATOM 0 HD21 LEU A 27 9.908 -11.457 12.549 1.00 44.44 H new ATOM 0 HD22 LEU A 27 9.788 -12.680 11.262 1.00 44.44 H new ATOM 0 HD23 LEU A 27 8.701 -11.271 11.254 1.00 44.44 H new ATOM 424 N LYS A 28 4.733 -14.043 9.795 1.00 51.11 N ATOM 425 CA LYS A 28 4.144 -14.884 8.760 1.00 32.51 C ATOM 426 C LYS A 28 4.007 -14.118 7.448 1.00 24.41 C ATOM 427 O LYS A 28 4.122 -14.695 6.366 1.00 33.21 O ATOM 428 CB LYS A 28 2.773 -15.396 9.209 1.00 63.30 C ATOM 429 CG LYS A 28 2.614 -16.901 9.080 1.00 21.43 C ATOM 430 CD LYS A 28 1.213 -17.349 9.462 1.00 11.50 C ATOM 431 CE LYS A 28 0.823 -18.632 8.745 1.00 31.23 C ATOM 432 NZ LYS A 28 0.700 -19.778 9.688 1.00 34.31 N ATOM 0 H LYS A 28 4.133 -13.890 10.605 1.00 51.11 H new ATOM 0 HA LYS A 28 4.807 -15.733 8.597 1.00 32.51 H new ATOM 0 HB2 LYS A 28 2.610 -15.110 10.248 1.00 63.30 H new ATOM 0 HB3 LYS A 28 2.000 -14.905 8.618 1.00 63.30 H new ATOM 0 HG2 LYS A 28 2.827 -17.204 8.055 1.00 21.43 H new ATOM 0 HG3 LYS A 28 3.343 -17.401 9.718 1.00 21.43 H new ATOM 0 HD2 LYS A 28 1.160 -17.503 10.540 1.00 11.50 H new ATOM 0 HD3 LYS A 28 0.499 -16.563 9.217 1.00 11.50 H new ATOM 0 HE2 LYS A 28 -0.124 -18.485 8.227 1.00 31.23 H new ATOM 0 HE3 LYS A 28 1.569 -18.865 7.985 1.00 31.23 H new ATOM 0 HZ1 LYS A 28 0.433 -20.634 9.161 1.00 34.31 H new ATOM 0 HZ2 LYS A 28 1.611 -19.935 10.164 1.00 34.31 H new ATOM 0 HZ3 LYS A 28 -0.030 -19.567 10.398 1.00 34.31 H new ATOM 446 N HIS A 29 3.764 -12.816 7.551 1.00 13.32 N ATOM 447 CA HIS A 29 3.614 -11.970 6.372 1.00 20.30 C ATOM 448 C HIS A 29 4.975 -11.630 5.771 1.00 14.13 C ATOM 449 O HIS A 29 5.128 -11.570 4.551 1.00 3.43 O ATOM 450 CB HIS A 29 2.866 -10.686 6.731 1.00 2.10 C ATOM 451 CG HIS A 29 1.501 -10.597 6.122 1.00 70.55 C ATOM 452 ND1 HIS A 29 0.345 -10.538 6.871 1.00 52.44 N ATOM 453 CD2 HIS A 29 1.111 -10.557 4.826 1.00 33.11 C ATOM 454 CE1 HIS A 29 -0.698 -10.466 6.062 1.00 24.04 C ATOM 455 NE2 HIS A 29 -0.260 -10.476 4.816 1.00 11.42 N ATOM 0 H HIS A 29 3.667 -12.323 8.439 1.00 13.32 H new ATOM 0 HA HIS A 29 3.037 -12.522 5.630 1.00 20.30 H new ATOM 0 HB2 HIS A 29 2.776 -10.619 7.815 1.00 2.10 H new ATOM 0 HB3 HIS A 29 3.456 -9.829 6.407 1.00 2.10 H new ATOM 0 HD2 HIS A 29 1.758 -10.584 3.961 1.00 33.11 H new ATOM 0 HE1 HIS A 29 -1.732 -10.409 6.368 1.00 24.04 H new ATOM 0 HE2 HIS A 29 -0.845 -10.431 3.982 1.00 11.42 H new ATOM 463 N PHE A 30 5.959 -11.407 6.636 1.00 32.50 N ATOM 464 CA PHE A 30 7.306 -11.071 6.191 1.00 62.22 C ATOM 465 C PHE A 30 7.997 -12.287 5.581 1.00 72.51 C ATOM 466 O PHE A 30 8.695 -12.178 4.572 1.00 60.40 O ATOM 467 CB PHE A 30 8.134 -10.534 7.361 1.00 75.14 C ATOM 468 CG PHE A 30 7.473 -9.400 8.091 1.00 31.34 C ATOM 469 CD1 PHE A 30 6.844 -8.382 7.393 1.00 2.35 C ATOM 470 CD2 PHE A 30 7.480 -9.353 9.476 1.00 21.41 C ATOM 471 CE1 PHE A 30 6.236 -7.337 8.064 1.00 43.14 C ATOM 472 CE2 PHE A 30 6.873 -8.311 10.152 1.00 64.33 C ATOM 473 CZ PHE A 30 6.250 -7.302 9.444 1.00 32.33 C ATOM 0 H PHE A 30 5.849 -11.453 7.649 1.00 32.50 H new ATOM 0 HA PHE A 30 7.226 -10.298 5.426 1.00 62.22 H new ATOM 0 HB2 PHE A 30 8.325 -11.345 8.063 1.00 75.14 H new ATOM 0 HB3 PHE A 30 9.102 -10.200 6.988 1.00 75.14 H new ATOM 0 HD1 PHE A 30 6.828 -8.405 6.313 1.00 2.35 H new ATOM 0 HD2 PHE A 30 7.966 -10.140 10.034 1.00 21.41 H new ATOM 0 HE1 PHE A 30 5.750 -6.548 7.509 1.00 43.14 H new ATOM 0 HE2 PHE A 30 6.886 -8.286 11.232 1.00 64.33 H new ATOM 0 HZ PHE A 30 5.774 -6.487 9.969 1.00 32.33 H new ATOM 483 N LEU A 31 7.797 -13.446 6.200 1.00 4.31 N ATOM 484 CA LEU A 31 8.401 -14.684 5.720 1.00 52.04 C ATOM 485 C LEU A 31 8.031 -14.940 4.262 1.00 22.01 C ATOM 486 O LEU A 31 8.848 -15.426 3.480 1.00 25.53 O ATOM 487 CB LEU A 31 7.953 -15.862 6.586 1.00 73.41 C ATOM 488 CG LEU A 31 9.043 -16.533 7.423 1.00 53.21 C ATOM 489 CD1 LEU A 31 9.807 -15.497 8.233 1.00 50.14 C ATOM 490 CD2 LEU A 31 8.439 -17.588 8.338 1.00 61.31 C ATOM 0 H LEU A 31 7.221 -13.554 7.035 1.00 4.31 H new ATOM 0 HA LEU A 31 9.484 -14.582 5.789 1.00 52.04 H new ATOM 0 HB2 LEU A 31 7.169 -15.515 7.259 1.00 73.41 H new ATOM 0 HB3 LEU A 31 7.506 -16.615 5.937 1.00 73.41 H new ATOM 0 HG LEU A 31 9.743 -17.024 6.747 1.00 53.21 H new ATOM 0 HD11 LEU A 31 10.578 -15.993 8.822 1.00 50.14 H new ATOM 0 HD12 LEU A 31 10.272 -14.778 7.558 1.00 50.14 H new ATOM 0 HD13 LEU A 31 9.119 -14.977 8.900 1.00 50.14 H new ATOM 0 HD21 LEU A 31 9.229 -18.055 8.926 1.00 61.31 H new ATOM 0 HD22 LEU A 31 7.717 -17.119 9.007 1.00 61.31 H new ATOM 0 HD23 LEU A 31 7.937 -18.347 7.737 1.00 61.31 H new ATOM 502 N ASP A 32 6.796 -14.607 3.903 1.00 22.52 N ATOM 503 CA ASP A 32 6.319 -14.798 2.538 1.00 30.25 C ATOM 504 C ASP A 32 6.971 -13.797 1.590 1.00 71.01 C ATOM 505 O ASP A 32 6.989 -13.997 0.376 1.00 35.12 O ATOM 506 CB ASP A 32 4.797 -14.656 2.483 1.00 1.31 C ATOM 507 CG ASP A 32 4.140 -15.766 1.687 1.00 63.10 C ATOM 508 OD1 ASP A 32 4.312 -15.791 0.450 1.00 72.30 O ATOM 509 OD2 ASP A 32 3.455 -16.611 2.301 1.00 44.51 O ATOM 0 H ASP A 32 6.107 -14.204 4.538 1.00 22.52 H new ATOM 0 HA ASP A 32 6.594 -15.804 2.220 1.00 30.25 H new ATOM 0 HB2 ASP A 32 4.398 -14.655 3.497 1.00 1.31 H new ATOM 0 HB3 ASP A 32 4.541 -13.694 2.039 1.00 1.31 H new ATOM 514 N GLY A 33 7.506 -12.718 2.153 1.00 54.52 N ATOM 515 CA GLY A 33 8.150 -11.701 1.343 1.00 41.53 C ATOM 516 C GLY A 33 9.425 -12.199 0.692 1.00 22.43 C ATOM 517 O GLY A 33 9.698 -11.897 -0.469 1.00 33.04 O ATOM 0 H GLY A 33 7.505 -12.530 3.156 1.00 54.52 H new ATOM 0 HA2 GLY A 33 7.459 -11.365 0.570 1.00 41.53 H new ATOM 0 HA3 GLY A 33 8.378 -10.836 1.965 1.00 41.53 H new ATOM 521 N GLY A 34 10.211 -12.966 1.444 1.00 54.54 N ATOM 522 CA GLY A 34 11.456 -13.493 0.917 1.00 75.32 C ATOM 523 C GLY A 34 11.237 -14.653 -0.034 1.00 62.41 C ATOM 524 O GLY A 34 11.928 -14.773 -1.045 1.00 51.04 O ATOM 0 H GLY A 34 10.007 -13.231 2.408 1.00 54.54 H new ATOM 0 HA2 GLY A 34 11.993 -12.699 0.399 1.00 75.32 H new ATOM 0 HA3 GLY A 34 12.088 -13.819 1.743 1.00 75.32 H new ATOM 528 N GLU A 35 10.275 -15.511 0.292 1.00 51.23 N ATOM 529 CA GLU A 35 9.970 -16.669 -0.541 1.00 2.52 C ATOM 530 C GLU A 35 9.501 -16.234 -1.926 1.00 51.03 C ATOM 531 O GLU A 35 9.495 -17.027 -2.868 1.00 14.53 O ATOM 532 CB GLU A 35 8.899 -17.535 0.124 1.00 14.13 C ATOM 533 CG GLU A 35 9.212 -17.889 1.568 1.00 12.23 C ATOM 534 CD GLU A 35 9.353 -19.383 1.785 1.00 15.15 C ATOM 535 OE1 GLU A 35 10.000 -20.045 0.948 1.00 64.12 O ATOM 536 OE2 GLU A 35 8.815 -19.890 2.792 1.00 61.00 O ATOM 0 H GLU A 35 9.694 -15.426 1.126 1.00 51.23 H new ATOM 0 HA GLU A 35 10.882 -17.255 -0.653 1.00 2.52 H new ATOM 0 HB2 GLU A 35 7.944 -17.010 0.086 1.00 14.13 H new ATOM 0 HB3 GLU A 35 8.780 -18.455 -0.449 1.00 14.13 H new ATOM 0 HG2 GLU A 35 10.135 -17.393 1.868 1.00 12.23 H new ATOM 0 HG3 GLU A 35 8.421 -17.505 2.212 1.00 12.23 H new ATOM 543 N MET A 36 9.108 -14.970 -2.042 1.00 2.41 N ATOM 544 CA MET A 36 8.638 -14.429 -3.312 1.00 73.10 C ATOM 545 C MET A 36 9.760 -14.412 -4.345 1.00 30.51 C ATOM 546 O MET A 36 9.580 -14.859 -5.478 1.00 75.31 O ATOM 547 CB MET A 36 8.088 -13.015 -3.116 1.00 53.15 C ATOM 548 CG MET A 36 6.716 -12.981 -2.462 1.00 60.43 C ATOM 549 SD MET A 36 5.406 -12.536 -3.618 1.00 51.32 S ATOM 550 CE MET A 36 3.990 -13.309 -2.840 1.00 62.10 C ATOM 0 H MET A 36 9.106 -14.301 -1.272 1.00 2.41 H new ATOM 0 HA MET A 36 7.840 -15.074 -3.680 1.00 73.10 H new ATOM 0 HB2 MET A 36 8.787 -12.444 -2.505 1.00 53.15 H new ATOM 0 HB3 MET A 36 8.032 -12.518 -4.085 1.00 53.15 H new ATOM 0 HG2 MET A 36 6.499 -13.959 -2.032 1.00 60.43 H new ATOM 0 HG3 MET A 36 6.728 -12.266 -1.639 1.00 60.43 H new ATOM 0 HE1 MET A 36 3.099 -13.122 -3.439 1.00 62.10 H new ATOM 0 HE2 MET A 36 4.158 -14.383 -2.764 1.00 62.10 H new ATOM 0 HE3 MET A 36 3.851 -12.893 -1.842 1.00 62.10 H new ATOM 560 N ILE A 37 10.917 -13.895 -3.947 1.00 0.25 N ATOM 561 CA ILE A 37 12.068 -13.821 -4.838 1.00 72.31 C ATOM 562 C ILE A 37 12.418 -15.196 -5.398 1.00 40.20 C ATOM 563 O ILE A 37 13.009 -15.308 -6.472 1.00 61.41 O ATOM 564 CB ILE A 37 13.301 -13.243 -4.119 1.00 51.12 C ATOM 565 CG1 ILE A 37 14.362 -12.823 -5.138 1.00 50.43 C ATOM 566 CG2 ILE A 37 13.871 -14.261 -3.143 1.00 14.14 C ATOM 567 CD1 ILE A 37 15.588 -12.197 -4.511 1.00 11.21 C ATOM 0 H ILE A 37 11.082 -13.521 -3.013 1.00 0.25 H new ATOM 0 HA ILE A 37 11.791 -13.157 -5.657 1.00 72.31 H new ATOM 0 HB ILE A 37 12.995 -12.361 -3.556 1.00 51.12 H new ATOM 0 HG12 ILE A 37 14.665 -13.696 -5.716 1.00 50.43 H new ATOM 0 HG13 ILE A 37 13.921 -12.115 -5.839 1.00 50.43 H new ATOM 0 HG21 ILE A 37 14.742 -13.837 -2.643 1.00 14.14 H new ATOM 0 HG22 ILE A 37 13.115 -14.516 -2.401 1.00 14.14 H new ATOM 0 HG23 ILE A 37 14.165 -15.160 -3.685 1.00 14.14 H new ATOM 0 HD11 ILE A 37 16.297 -11.924 -5.292 1.00 11.21 H new ATOM 0 HD12 ILE A 37 15.298 -11.305 -3.957 1.00 11.21 H new ATOM 0 HD13 ILE A 37 16.054 -12.911 -3.831 1.00 11.21 H new ATOM 579 N VAL A 38 12.048 -16.240 -4.664 1.00 14.05 N ATOM 580 CA VAL A 38 12.320 -17.608 -5.088 1.00 34.13 C ATOM 581 C VAL A 38 11.731 -17.883 -6.467 1.00 64.10 C ATOM 582 O VAL A 38 12.346 -18.558 -7.294 1.00 3.51 O ATOM 583 CB VAL A 38 11.750 -18.630 -4.086 1.00 22.12 C ATOM 584 CG1 VAL A 38 12.122 -20.046 -4.498 1.00 22.32 C ATOM 585 CG2 VAL A 38 12.244 -18.328 -2.679 1.00 31.20 C ATOM 0 H VAL A 38 11.559 -16.165 -3.772 1.00 14.05 H new ATOM 0 HA VAL A 38 13.404 -17.717 -5.130 1.00 34.13 H new ATOM 0 HB VAL A 38 10.663 -18.550 -4.090 1.00 22.12 H new ATOM 0 HG11 VAL A 38 11.711 -20.754 -3.779 1.00 22.32 H new ATOM 0 HG12 VAL A 38 11.715 -20.256 -5.487 1.00 22.32 H new ATOM 0 HG13 VAL A 38 13.207 -20.144 -4.524 1.00 22.32 H new ATOM 0 HG21 VAL A 38 11.832 -19.059 -1.984 1.00 31.20 H new ATOM 0 HG22 VAL A 38 13.333 -18.379 -2.657 1.00 31.20 H new ATOM 0 HG23 VAL A 38 11.922 -17.328 -2.387 1.00 31.20 H new ATOM 595 N THR A 39 10.535 -17.356 -6.710 1.00 45.33 N ATOM 596 CA THR A 39 9.863 -17.544 -7.989 1.00 72.33 C ATOM 597 C THR A 39 10.777 -17.173 -9.151 1.00 52.43 C ATOM 598 O THR A 39 10.670 -17.734 -10.241 1.00 40.33 O ATOM 599 CB THR A 39 8.574 -16.705 -8.076 1.00 3.24 C ATOM 600 OG1 THR A 39 7.772 -17.151 -9.175 1.00 13.45 O ATOM 601 CG2 THR A 39 8.901 -15.229 -8.245 1.00 55.33 C ATOM 0 H THR A 39 10.012 -16.795 -6.037 1.00 45.33 H new ATOM 0 HA THR A 39 9.605 -18.601 -8.057 1.00 72.33 H new ATOM 0 HB THR A 39 8.019 -16.834 -7.147 1.00 3.24 H new ATOM 0 HG1 THR A 39 6.954 -16.614 -9.222 1.00 13.45 H new ATOM 0 HG21 THR A 39 7.976 -14.656 -8.304 1.00 55.33 H new ATOM 0 HG22 THR A 39 9.486 -14.886 -7.392 1.00 55.33 H new ATOM 0 HG23 THR A 39 9.475 -15.086 -9.160 1.00 55.33 H new ATOM 609 N ALA A 40 11.676 -16.224 -8.911 1.00 13.31 N ATOM 610 CA ALA A 40 12.610 -15.779 -9.937 1.00 64.23 C ATOM 611 C ALA A 40 13.721 -16.803 -10.149 1.00 53.11 C ATOM 612 O ALA A 40 14.166 -17.026 -11.274 1.00 52.24 O ATOM 613 CB ALA A 40 13.200 -14.427 -9.564 1.00 64.41 C ATOM 0 H ALA A 40 11.777 -15.749 -8.014 1.00 13.31 H new ATOM 0 HA ALA A 40 12.061 -15.677 -10.873 1.00 64.23 H new ATOM 0 HB1 ALA A 40 13.896 -14.107 -10.340 1.00 64.41 H new ATOM 0 HB2 ALA A 40 12.399 -13.694 -9.470 1.00 64.41 H new ATOM 0 HB3 ALA A 40 13.728 -14.510 -8.614 1.00 64.41 H new ATOM 619 N ALA A 41 14.164 -17.422 -9.060 1.00 31.02 N ATOM 620 CA ALA A 41 15.221 -18.423 -9.127 1.00 44.01 C ATOM 621 C ALA A 41 14.698 -19.737 -9.698 1.00 44.30 C ATOM 622 O ALA A 41 15.329 -20.341 -10.565 1.00 33.44 O ATOM 623 CB ALA A 41 15.824 -18.647 -7.748 1.00 62.32 C ATOM 0 H ALA A 41 13.807 -17.248 -8.121 1.00 31.02 H new ATOM 0 HA ALA A 41 15.998 -18.051 -9.795 1.00 44.01 H new ATOM 0 HB1 ALA A 41 16.612 -19.397 -7.813 1.00 62.32 H new ATOM 0 HB2 ALA A 41 16.243 -17.711 -7.378 1.00 62.32 H new ATOM 0 HB3 ALA A 41 15.049 -18.993 -7.064 1.00 62.32 H new ATOM 629 N GLU A 42 13.543 -20.172 -9.206 1.00 31.34 N ATOM 630 CA GLU A 42 12.937 -21.416 -9.667 1.00 1.11 C ATOM 631 C GLU A 42 12.731 -21.393 -11.179 1.00 12.53 C ATOM 632 O GLU A 42 13.204 -22.275 -11.895 1.00 43.54 O ATOM 633 CB GLU A 42 11.599 -21.650 -8.962 1.00 43.41 C ATOM 634 CG GLU A 42 11.737 -21.948 -7.479 1.00 32.44 C ATOM 635 CD GLU A 42 11.094 -23.265 -7.087 1.00 1.34 C ATOM 636 OE1 GLU A 42 9.911 -23.473 -7.428 1.00 1.33 O ATOM 637 OE2 GLU A 42 11.775 -24.087 -6.439 1.00 1.14 O ATOM 0 H GLU A 42 13.008 -19.682 -8.489 1.00 31.34 H new ATOM 0 HA GLU A 42 13.616 -22.233 -9.422 1.00 1.11 H new ATOM 0 HB2 GLU A 42 10.971 -20.768 -9.090 1.00 43.41 H new ATOM 0 HB3 GLU A 42 11.084 -22.481 -9.445 1.00 43.41 H new ATOM 0 HG2 GLU A 42 12.794 -21.971 -7.213 1.00 32.44 H new ATOM 0 HG3 GLU A 42 11.281 -21.141 -6.906 1.00 32.44 H new ATOM 644 N LYS A 43 12.020 -20.377 -11.657 1.00 72.11 N ATOM 645 CA LYS A 43 11.750 -20.236 -13.083 1.00 72.20 C ATOM 646 C LYS A 43 13.049 -20.145 -13.876 1.00 44.44 C ATOM 647 O LYS A 43 13.088 -20.476 -15.061 1.00 21.23 O ATOM 648 CB LYS A 43 10.894 -18.994 -13.341 1.00 10.03 C ATOM 649 CG LYS A 43 9.598 -19.290 -14.075 1.00 51.03 C ATOM 650 CD LYS A 43 8.444 -18.472 -13.521 1.00 55.12 C ATOM 651 CE LYS A 43 7.405 -18.177 -14.593 1.00 10.45 C ATOM 652 NZ LYS A 43 7.968 -17.354 -15.699 1.00 71.52 N ATOM 0 H LYS A 43 11.620 -19.639 -11.077 1.00 72.11 H new ATOM 0 HA LYS A 43 11.205 -21.120 -13.413 1.00 72.20 H new ATOM 0 HB2 LYS A 43 10.662 -18.519 -12.388 1.00 10.03 H new ATOM 0 HB3 LYS A 43 11.475 -18.277 -13.921 1.00 10.03 H new ATOM 0 HG2 LYS A 43 9.722 -19.074 -15.136 1.00 51.03 H new ATOM 0 HG3 LYS A 43 9.366 -20.352 -13.991 1.00 51.03 H new ATOM 0 HD2 LYS A 43 7.976 -19.012 -12.698 1.00 55.12 H new ATOM 0 HD3 LYS A 43 8.823 -17.535 -13.113 1.00 55.12 H new ATOM 0 HE2 LYS A 43 7.023 -19.115 -14.996 1.00 10.45 H new ATOM 0 HE3 LYS A 43 6.560 -17.654 -14.145 1.00 10.45 H new ATOM 0 HZ1 LYS A 43 7.210 -16.790 -16.132 1.00 71.52 H new ATOM 0 HZ2 LYS A 43 8.700 -16.719 -15.321 1.00 71.52 H new ATOM 0 HZ3 LYS A 43 8.388 -17.978 -16.417 1.00 71.52 H new ATOM 666 N GLU A 44 14.111 -19.694 -13.215 1.00 31.21 N ATOM 667 CA GLU A 44 15.412 -19.560 -13.860 1.00 32.42 C ATOM 668 C GLU A 44 16.239 -20.831 -13.685 1.00 52.03 C ATOM 669 O GLU A 44 15.767 -21.819 -13.123 1.00 41.14 O ATOM 670 CB GLU A 44 16.170 -18.362 -13.285 1.00 21.21 C ATOM 671 CG GLU A 44 15.645 -17.021 -13.768 1.00 12.22 C ATOM 672 CD GLU A 44 15.839 -16.820 -15.258 1.00 64.32 C ATOM 673 OE1 GLU A 44 16.994 -16.607 -15.683 1.00 21.50 O ATOM 674 OE2 GLU A 44 14.836 -16.877 -16.000 1.00 0.43 O ATOM 0 H GLU A 44 14.096 -19.415 -12.234 1.00 31.21 H new ATOM 0 HA GLU A 44 15.246 -19.398 -14.925 1.00 32.42 H new ATOM 0 HB2 GLU A 44 16.113 -18.395 -12.197 1.00 21.21 H new ATOM 0 HB3 GLU A 44 17.224 -18.448 -13.551 1.00 21.21 H new ATOM 0 HG2 GLU A 44 14.584 -16.944 -13.530 1.00 12.22 H new ATOM 0 HG3 GLU A 44 16.152 -16.221 -13.228 1.00 12.22 H new ATOM 681 N ALA A 45 17.475 -20.797 -14.172 1.00 1.31 N ATOM 682 CA ALA A 45 18.369 -21.944 -14.069 1.00 14.21 C ATOM 683 C ALA A 45 19.787 -21.574 -14.489 1.00 2.05 C ATOM 684 O ALA A 45 20.756 -21.937 -13.822 1.00 4.20 O ATOM 685 CB ALA A 45 17.849 -23.095 -14.916 1.00 73.54 C ATOM 0 H ALA A 45 17.880 -19.987 -14.642 1.00 1.31 H new ATOM 0 HA ALA A 45 18.398 -22.259 -13.026 1.00 14.21 H new ATOM 0 HB1 ALA A 45 18.526 -23.945 -14.830 1.00 73.54 H new ATOM 0 HB2 ALA A 45 16.857 -23.384 -14.568 1.00 73.54 H new ATOM 0 HB3 ALA A 45 17.790 -22.782 -15.958 1.00 73.54 H new ATOM 691 N SER A 46 19.902 -20.851 -15.598 1.00 13.32 N ATOM 692 CA SER A 46 21.203 -20.436 -16.109 1.00 11.31 C ATOM 693 C SER A 46 21.558 -19.036 -15.617 1.00 43.23 C ATOM 694 O SER A 46 21.947 -18.171 -16.403 1.00 35.44 O ATOM 695 CB SER A 46 21.208 -20.468 -17.638 1.00 54.04 C ATOM 696 OG SER A 46 22.494 -20.165 -18.151 1.00 34.31 O ATOM 0 H SER A 46 19.110 -20.540 -16.160 1.00 13.32 H new ATOM 0 HA SER A 46 21.952 -21.134 -15.736 1.00 11.31 H new ATOM 0 HB2 SER A 46 20.898 -21.454 -17.985 1.00 54.04 H new ATOM 0 HB3 SER A 46 20.482 -19.752 -18.022 1.00 54.04 H new ATOM 0 HG SER A 46 22.775 -19.283 -17.830 1.00 34.31 H new ATOM 702 N GLN A 47 21.422 -18.821 -14.313 1.00 20.22 N ATOM 703 CA GLN A 47 21.728 -17.526 -13.716 1.00 72.40 C ATOM 704 C GLN A 47 22.723 -17.677 -12.570 1.00 42.53 C ATOM 705 O GLN A 47 22.604 -18.581 -11.744 1.00 73.51 O ATOM 706 CB GLN A 47 20.448 -16.859 -13.211 1.00 14.12 C ATOM 707 CG GLN A 47 20.474 -15.342 -13.306 1.00 2.15 C ATOM 708 CD GLN A 47 20.443 -14.846 -14.738 1.00 2.03 C ATOM 709 OE1 GLN A 47 21.473 -14.793 -15.411 1.00 73.52 O ATOM 710 NE2 GLN A 47 19.258 -14.479 -15.212 1.00 4.22 N ATOM 0 H GLN A 47 21.102 -19.526 -13.649 1.00 20.22 H new ATOM 0 HA GLN A 47 22.179 -16.897 -14.484 1.00 72.40 H new ATOM 0 HB2 GLN A 47 19.601 -17.236 -13.784 1.00 14.12 H new ATOM 0 HB3 GLN A 47 20.283 -17.147 -12.173 1.00 14.12 H new ATOM 0 HG2 GLN A 47 19.620 -14.933 -12.766 1.00 2.15 H new ATOM 0 HG3 GLN A 47 21.372 -14.966 -12.815 1.00 2.15 H new ATOM 0 HE21 GLN A 47 18.430 -14.540 -14.619 1.00 4.22 H new ATOM 0 HE22 GLN A 47 19.175 -14.137 -16.169 1.00 4.22 H new ATOM 719 N LYS A 48 23.706 -16.784 -12.527 1.00 4.24 N ATOM 720 CA LYS A 48 24.723 -16.815 -11.482 1.00 62.21 C ATOM 721 C LYS A 48 24.193 -16.207 -10.188 1.00 12.51 C ATOM 722 O LYS A 48 24.595 -16.602 -9.094 1.00 1.14 O ATOM 723 CB LYS A 48 25.975 -16.061 -11.937 1.00 72.43 C ATOM 724 CG LYS A 48 26.425 -16.422 -13.342 1.00 71.33 C ATOM 725 CD LYS A 48 27.932 -16.304 -13.493 1.00 23.14 C ATOM 726 CE LYS A 48 28.330 -16.051 -14.939 1.00 21.03 C ATOM 727 NZ LYS A 48 29.805 -15.909 -15.092 1.00 15.54 N ATOM 0 H LYS A 48 23.820 -16.030 -13.204 1.00 4.24 H new ATOM 0 HA LYS A 48 24.982 -17.857 -11.294 1.00 62.21 H new ATOM 0 HB2 LYS A 48 25.781 -14.989 -11.891 1.00 72.43 H new ATOM 0 HB3 LYS A 48 26.787 -16.268 -11.240 1.00 72.43 H new ATOM 0 HG2 LYS A 48 26.114 -17.441 -13.574 1.00 71.33 H new ATOM 0 HG3 LYS A 48 25.934 -15.767 -14.062 1.00 71.33 H new ATOM 0 HD2 LYS A 48 28.299 -15.491 -12.866 1.00 23.14 H new ATOM 0 HD3 LYS A 48 28.407 -17.219 -13.139 1.00 23.14 H new ATOM 0 HE2 LYS A 48 27.978 -16.873 -15.562 1.00 21.03 H new ATOM 0 HE3 LYS A 48 27.839 -15.146 -15.298 1.00 21.03 H new ATOM 0 HZ1 LYS A 48 30.035 -15.738 -16.092 1.00 15.54 H new ATOM 0 HZ2 LYS A 48 30.138 -15.108 -14.518 1.00 15.54 H new ATOM 0 HZ3 LYS A 48 30.273 -16.782 -14.774 1.00 15.54 H new ATOM 741 N VAL A 49 23.286 -15.243 -10.320 1.00 64.32 N ATOM 742 CA VAL A 49 22.699 -14.582 -9.161 1.00 52.12 C ATOM 743 C VAL A 49 21.629 -15.454 -8.514 1.00 61.53 C ATOM 744 O VAL A 49 21.442 -15.425 -7.298 1.00 34.00 O ATOM 745 CB VAL A 49 22.077 -13.226 -9.544 1.00 41.22 C ATOM 746 CG1 VAL A 49 23.127 -12.311 -10.156 1.00 52.24 C ATOM 747 CG2 VAL A 49 20.910 -13.426 -10.499 1.00 40.21 C ATOM 0 H VAL A 49 22.942 -14.903 -11.218 1.00 64.32 H new ATOM 0 HA VAL A 49 23.507 -14.415 -8.449 1.00 52.12 H new ATOM 0 HB VAL A 49 21.698 -12.751 -8.639 1.00 41.22 H new ATOM 0 HG11 VAL A 49 22.669 -11.358 -10.420 1.00 52.24 H new ATOM 0 HG12 VAL A 49 23.927 -12.142 -9.435 1.00 52.24 H new ATOM 0 HG13 VAL A 49 23.538 -12.777 -11.052 1.00 52.24 H new ATOM 0 HG21 VAL A 49 20.483 -12.458 -10.759 1.00 40.21 H new ATOM 0 HG22 VAL A 49 21.261 -13.922 -11.404 1.00 40.21 H new ATOM 0 HG23 VAL A 49 20.149 -14.042 -10.020 1.00 40.21 H new ATOM 757 N ARG A 50 20.930 -16.231 -9.336 1.00 22.02 N ATOM 758 CA ARG A 50 19.878 -17.112 -8.844 1.00 21.22 C ATOM 759 C ARG A 50 20.323 -17.836 -7.576 1.00 44.34 C ATOM 760 O ARG A 50 19.576 -17.920 -6.603 1.00 1.22 O ATOM 761 CB ARG A 50 19.494 -18.132 -9.918 1.00 12.34 C ATOM 762 CG ARG A 50 18.557 -19.219 -9.418 1.00 14.14 C ATOM 763 CD ARG A 50 19.200 -20.594 -9.507 1.00 44.30 C ATOM 764 NE ARG A 50 19.778 -21.011 -8.232 1.00 63.45 N ATOM 765 CZ ARG A 50 20.114 -22.266 -7.954 1.00 24.01 C ATOM 766 NH1 ARG A 50 19.931 -23.221 -8.856 1.00 5.43 N ATOM 767 NH2 ARG A 50 20.635 -22.568 -6.771 1.00 43.34 N ATOM 0 H ARG A 50 21.074 -16.268 -10.345 1.00 22.02 H new ATOM 0 HA ARG A 50 19.008 -16.500 -8.606 1.00 21.22 H new ATOM 0 HB2 ARG A 50 19.021 -17.610 -10.750 1.00 12.34 H new ATOM 0 HB3 ARG A 50 20.400 -18.596 -10.307 1.00 12.34 H new ATOM 0 HG2 ARG A 50 18.278 -19.013 -8.385 1.00 14.14 H new ATOM 0 HG3 ARG A 50 17.638 -19.207 -10.005 1.00 14.14 H new ATOM 0 HD2 ARG A 50 18.454 -21.323 -9.823 1.00 44.30 H new ATOM 0 HD3 ARG A 50 19.977 -20.582 -10.271 1.00 44.30 H new ATOM 0 HE ARG A 50 19.932 -20.300 -7.517 1.00 63.45 H new ATOM 0 HH11 ARG A 50 19.531 -22.993 -9.766 1.00 5.43 H new ATOM 0 HH12 ARG A 50 20.190 -24.183 -8.639 1.00 5.43 H new ATOM 0 HH21 ARG A 50 20.778 -21.836 -6.075 1.00 43.34 H new ATOM 0 HH22 ARG A 50 20.893 -23.532 -6.558 1.00 43.34 H new ATOM 781 N ASN A 51 21.546 -18.357 -7.597 1.00 51.02 N ATOM 782 CA ASN A 51 22.091 -19.075 -6.450 1.00 55.53 C ATOM 783 C ASN A 51 21.996 -18.228 -5.184 1.00 64.14 C ATOM 784 O ASN A 51 21.532 -18.696 -4.144 1.00 74.43 O ATOM 785 CB ASN A 51 23.547 -19.463 -6.710 1.00 63.13 C ATOM 786 CG ASN A 51 24.211 -20.069 -5.489 1.00 32.42 C ATOM 787 OD1 ASN A 51 23.540 -20.604 -4.605 1.00 42.24 O ATOM 788 ND2 ASN A 51 25.535 -19.989 -5.434 1.00 2.32 N ATOM 0 H ASN A 51 22.178 -18.295 -8.395 1.00 51.02 H new ATOM 0 HA ASN A 51 21.502 -19.980 -6.305 1.00 55.53 H new ATOM 0 HB2 ASN A 51 23.589 -20.175 -7.534 1.00 63.13 H new ATOM 0 HB3 ASN A 51 24.105 -18.581 -7.023 1.00 63.13 H new ATOM 0 HD21 ASN A 51 26.037 -20.380 -4.637 1.00 2.32 H new ATOM 0 HD22 ASN A 51 26.050 -19.537 -6.189 1.00 2.32 H new ATOM 795 N LEU A 52 22.440 -16.980 -5.280 1.00 51.50 N ATOM 796 CA LEU A 52 22.405 -16.066 -4.143 1.00 64.20 C ATOM 797 C LEU A 52 20.980 -15.602 -3.861 1.00 2.24 C ATOM 798 O LEU A 52 20.627 -15.307 -2.718 1.00 73.20 O ATOM 799 CB LEU A 52 23.305 -14.857 -4.407 1.00 71.52 C ATOM 800 CG LEU A 52 23.779 -14.091 -3.172 1.00 52.30 C ATOM 801 CD1 LEU A 52 24.665 -14.971 -2.305 1.00 23.11 C ATOM 802 CD2 LEU A 52 24.518 -12.825 -3.581 1.00 52.01 C ATOM 0 H LEU A 52 22.828 -16.577 -6.133 1.00 51.50 H new ATOM 0 HA LEU A 52 22.773 -16.601 -3.267 1.00 64.20 H new ATOM 0 HB2 LEU A 52 24.182 -15.196 -4.959 1.00 71.52 H new ATOM 0 HB3 LEU A 52 22.768 -14.165 -5.056 1.00 71.52 H new ATOM 0 HG LEU A 52 22.904 -13.805 -2.588 1.00 52.30 H new ATOM 0 HD11 LEU A 52 24.993 -14.408 -1.431 1.00 23.11 H new ATOM 0 HD12 LEU A 52 24.103 -15.848 -1.983 1.00 23.11 H new ATOM 0 HD13 LEU A 52 25.535 -15.289 -2.879 1.00 23.11 H new ATOM 0 HD21 LEU A 52 24.848 -12.292 -2.689 1.00 52.01 H new ATOM 0 HD22 LEU A 52 25.384 -13.089 -4.187 1.00 52.01 H new ATOM 0 HD23 LEU A 52 23.851 -12.185 -4.160 1.00 52.01 H new ATOM 814 N LEU A 53 20.165 -15.541 -4.908 1.00 1.32 N ATOM 815 CA LEU A 53 18.777 -15.114 -4.773 1.00 35.44 C ATOM 816 C LEU A 53 18.025 -16.010 -3.793 1.00 73.35 C ATOM 817 O LEU A 53 17.253 -15.530 -2.962 1.00 51.25 O ATOM 818 CB LEU A 53 18.082 -15.133 -6.135 1.00 72.03 C ATOM 819 CG LEU A 53 18.065 -13.808 -6.899 1.00 24.15 C ATOM 820 CD1 LEU A 53 19.354 -13.037 -6.658 1.00 22.52 C ATOM 821 CD2 LEU A 53 17.858 -14.052 -8.386 1.00 73.11 C ATOM 0 H LEU A 53 20.441 -15.782 -5.860 1.00 1.32 H new ATOM 0 HA LEU A 53 18.772 -14.096 -4.384 1.00 35.44 H new ATOM 0 HB2 LEU A 53 18.569 -15.883 -6.759 1.00 72.03 H new ATOM 0 HB3 LEU A 53 17.052 -15.459 -5.990 1.00 72.03 H new ATOM 0 HG LEU A 53 17.232 -13.209 -6.530 1.00 24.15 H new ATOM 0 HD11 LEU A 53 19.324 -12.097 -7.209 1.00 22.52 H new ATOM 0 HD12 LEU A 53 19.460 -12.830 -5.593 1.00 22.52 H new ATOM 0 HD13 LEU A 53 20.202 -13.631 -6.999 1.00 22.52 H new ATOM 0 HD21 LEU A 53 17.849 -13.098 -8.913 1.00 73.11 H new ATOM 0 HD22 LEU A 53 18.669 -14.671 -8.770 1.00 73.11 H new ATOM 0 HD23 LEU A 53 16.908 -14.562 -8.542 1.00 73.11 H new ATOM 833 N LEU A 54 18.256 -17.314 -3.895 1.00 64.45 N ATOM 834 CA LEU A 54 17.603 -18.279 -3.017 1.00 51.42 C ATOM 835 C LEU A 54 18.243 -18.275 -1.633 1.00 31.23 C ATOM 836 O LEU A 54 17.552 -18.177 -0.618 1.00 1.40 O ATOM 837 CB LEU A 54 17.677 -19.681 -3.622 1.00 61.54 C ATOM 838 CG LEU A 54 17.077 -19.842 -5.020 1.00 31.44 C ATOM 839 CD1 LEU A 54 17.799 -20.938 -5.788 1.00 22.11 C ATOM 840 CD2 LEU A 54 15.588 -20.145 -4.929 1.00 2.51 C ATOM 0 H LEU A 54 18.891 -17.728 -4.577 1.00 64.45 H new ATOM 0 HA LEU A 54 16.557 -17.990 -2.914 1.00 51.42 H new ATOM 0 HB2 LEU A 54 18.723 -19.983 -3.661 1.00 61.54 H new ATOM 0 HB3 LEU A 54 17.170 -20.373 -2.949 1.00 61.54 H new ATOM 0 HG LEU A 54 17.205 -18.904 -5.560 1.00 31.44 H new ATOM 0 HD11 LEU A 54 17.358 -21.038 -6.780 1.00 22.11 H new ATOM 0 HD12 LEU A 54 18.854 -20.681 -5.884 1.00 22.11 H new ATOM 0 HD13 LEU A 54 17.703 -21.882 -5.252 1.00 22.11 H new ATOM 0 HD21 LEU A 54 15.177 -20.256 -5.933 1.00 2.51 H new ATOM 0 HD22 LEU A 54 15.438 -21.069 -4.371 1.00 2.51 H new ATOM 0 HD23 LEU A 54 15.081 -19.327 -4.418 1.00 2.51 H new ATOM 852 N HIS A 55 19.568 -18.381 -1.598 1.00 75.44 N ATOM 853 CA HIS A 55 20.302 -18.388 -0.338 1.00 14.40 C ATOM 854 C HIS A 55 19.968 -17.151 0.491 1.00 34.34 C ATOM 855 O HIS A 55 19.801 -17.233 1.709 1.00 62.35 O ATOM 856 CB HIS A 55 21.807 -18.449 -0.600 1.00 54.23 C ATOM 857 CG HIS A 55 22.625 -18.623 0.642 1.00 14.22 C ATOM 858 ND1 HIS A 55 22.798 -17.808 1.709 1.00 52.35 N flip ATOM 859 CD2 HIS A 55 23.387 -19.745 0.891 1.00 24.00 C flip ATOM 860 CE1 HIS A 55 23.653 -18.447 2.574 1.00 35.41 C flip ATOM 861 NE2 HIS A 55 23.993 -19.613 2.057 1.00 15.52 N flip ATOM 0 H HIS A 55 20.155 -18.463 -2.428 1.00 75.44 H new ATOM 0 HA HIS A 55 20.003 -19.273 0.224 1.00 14.40 H new ATOM 0 HB2 HIS A 55 22.016 -19.274 -1.281 1.00 54.23 H new ATOM 0 HB3 HIS A 55 22.117 -17.534 -1.104 1.00 54.23 H new ATOM 0 HD2 HIS A 55 23.475 -20.598 0.235 1.00 24.00 H new ATOM 0 HE1 HIS A 55 23.992 -18.058 3.523 1.00 35.41 H new ATOM 0 HE2 HIS A 55 24.618 -20.296 2.485 1.00 15.52 H new ATOM 869 N LYS A 56 19.872 -16.006 -0.175 1.00 52.12 N ATOM 870 CA LYS A 56 19.557 -14.752 0.499 1.00 44.21 C ATOM 871 C LYS A 56 18.120 -14.754 1.010 1.00 24.44 C ATOM 872 O LYS A 56 17.818 -14.159 2.043 1.00 12.44 O ATOM 873 CB LYS A 56 19.770 -13.571 -0.451 1.00 74.13 C ATOM 874 CG LYS A 56 21.222 -13.145 -0.577 1.00 61.34 C ATOM 875 CD LYS A 56 21.381 -11.984 -1.545 1.00 32.23 C ATOM 876 CE LYS A 56 21.048 -10.657 -0.881 1.00 53.33 C ATOM 877 NZ LYS A 56 22.183 -9.696 -0.961 1.00 61.41 N ATOM 0 H LYS A 56 20.008 -15.920 -1.182 1.00 52.12 H new ATOM 0 HA LYS A 56 20.227 -14.650 1.353 1.00 44.21 H new ATOM 0 HB2 LYS A 56 19.391 -13.837 -1.438 1.00 74.13 H new ATOM 0 HB3 LYS A 56 19.181 -12.723 -0.101 1.00 74.13 H new ATOM 0 HG2 LYS A 56 21.604 -12.858 0.403 1.00 61.34 H new ATOM 0 HG3 LYS A 56 21.821 -13.989 -0.918 1.00 61.34 H new ATOM 0 HD2 LYS A 56 22.404 -11.958 -1.919 1.00 32.23 H new ATOM 0 HD3 LYS A 56 20.730 -12.135 -2.406 1.00 32.23 H new ATOM 0 HE2 LYS A 56 20.170 -10.222 -1.359 1.00 53.33 H new ATOM 0 HE3 LYS A 56 20.790 -10.828 0.164 1.00 53.33 H new ATOM 0 HZ1 LYS A 56 21.916 -8.804 -0.497 1.00 61.41 H new ATOM 0 HZ2 LYS A 56 23.014 -10.100 -0.483 1.00 61.41 H new ATOM 0 HZ3 LYS A 56 22.413 -9.512 -1.959 1.00 61.41 H new ATOM 891 N GLY A 57 17.238 -15.431 0.281 1.00 42.44 N ATOM 892 CA GLY A 57 15.844 -15.499 0.678 1.00 50.13 C ATOM 893 C GLY A 57 15.638 -16.323 1.933 1.00 24.21 C ATOM 894 O GLY A 57 15.019 -15.863 2.893 1.00 62.33 O ATOM 0 H GLY A 57 17.464 -15.933 -0.577 1.00 42.44 H new ATOM 0 HA2 GLY A 57 15.467 -14.490 0.844 1.00 50.13 H new ATOM 0 HA3 GLY A 57 15.258 -15.928 -0.135 1.00 50.13 H new ATOM 898 N LYS A 58 16.157 -17.546 1.927 1.00 25.34 N ATOM 899 CA LYS A 58 16.028 -18.438 3.074 1.00 61.23 C ATOM 900 C LYS A 58 16.719 -17.851 4.301 1.00 73.15 C ATOM 901 O LYS A 58 16.402 -18.211 5.434 1.00 75.35 O ATOM 902 CB LYS A 58 16.623 -19.810 2.748 1.00 31.11 C ATOM 903 CG LYS A 58 18.063 -19.751 2.270 1.00 4.31 C ATOM 904 CD LYS A 58 19.035 -19.681 3.436 1.00 44.41 C ATOM 905 CE LYS A 58 20.093 -20.770 3.346 1.00 31.12 C ATOM 906 NZ LYS A 58 21.122 -20.633 4.413 1.00 24.14 N ATOM 0 H LYS A 58 16.671 -17.943 1.140 1.00 25.34 H new ATOM 0 HA LYS A 58 14.967 -18.552 3.296 1.00 61.23 H new ATOM 0 HB2 LYS A 58 16.569 -20.440 3.636 1.00 31.11 H new ATOM 0 HB3 LYS A 58 16.014 -20.288 1.981 1.00 31.11 H new ATOM 0 HG2 LYS A 58 18.283 -20.630 1.664 1.00 4.31 H new ATOM 0 HG3 LYS A 58 18.199 -18.880 1.629 1.00 4.31 H new ATOM 0 HD2 LYS A 58 19.518 -18.704 3.451 1.00 44.41 H new ATOM 0 HD3 LYS A 58 18.488 -19.780 4.374 1.00 44.41 H new ATOM 0 HE2 LYS A 58 19.616 -21.747 3.425 1.00 31.12 H new ATOM 0 HE3 LYS A 58 20.575 -20.728 2.369 1.00 31.12 H new ATOM 0 HZ1 LYS A 58 21.825 -21.394 4.317 1.00 24.14 H new ATOM 0 HZ2 LYS A 58 21.595 -19.711 4.323 1.00 24.14 H new ATOM 0 HZ3 LYS A 58 20.666 -20.698 5.345 1.00 24.14 H new ATOM 920 N GLU A 59 17.663 -16.945 4.066 1.00 55.22 N ATOM 921 CA GLU A 59 18.397 -16.308 5.153 1.00 35.12 C ATOM 922 C GLU A 59 17.536 -15.257 5.849 1.00 73.53 C ATOM 923 O GLU A 59 17.260 -15.357 7.044 1.00 2.25 O ATOM 924 CB GLU A 59 19.679 -15.663 4.624 1.00 60.35 C ATOM 925 CG GLU A 59 20.934 -16.463 4.931 1.00 1.41 C ATOM 926 CD GLU A 59 21.486 -16.173 6.314 1.00 73.33 C ATOM 927 OE1 GLU A 59 20.912 -16.683 7.299 1.00 23.31 O ATOM 928 OE2 GLU A 59 22.490 -15.437 6.410 1.00 32.54 O ATOM 0 H GLU A 59 17.937 -16.636 3.133 1.00 55.22 H new ATOM 0 HA GLU A 59 18.659 -17.078 5.879 1.00 35.12 H new ATOM 0 HB2 GLU A 59 19.594 -15.537 3.545 1.00 60.35 H new ATOM 0 HB3 GLU A 59 19.779 -14.667 5.055 1.00 60.35 H new ATOM 0 HG2 GLU A 59 20.712 -17.527 4.848 1.00 1.41 H new ATOM 0 HG3 GLU A 59 21.696 -16.237 4.185 1.00 1.41 H new ATOM 935 N VAL A 60 17.114 -14.250 5.091 1.00 61.13 N ATOM 936 CA VAL A 60 16.284 -13.181 5.633 1.00 43.23 C ATOM 937 C VAL A 60 15.081 -13.744 6.381 1.00 61.15 C ATOM 938 O VAL A 60 14.595 -13.143 7.339 1.00 14.41 O ATOM 939 CB VAL A 60 15.788 -12.237 4.521 1.00 22.11 C ATOM 940 CG1 VAL A 60 15.063 -13.022 3.438 1.00 2.24 C ATOM 941 CG2 VAL A 60 14.888 -11.157 5.102 1.00 32.30 C ATOM 0 H VAL A 60 17.333 -14.152 4.100 1.00 61.13 H new ATOM 0 HA VAL A 60 16.908 -12.617 6.327 1.00 43.23 H new ATOM 0 HB VAL A 60 16.652 -11.752 4.067 1.00 22.11 H new ATOM 0 HG11 VAL A 60 14.720 -12.339 2.661 1.00 2.24 H new ATOM 0 HG12 VAL A 60 15.743 -13.754 3.003 1.00 2.24 H new ATOM 0 HG13 VAL A 60 14.206 -13.536 3.873 1.00 2.24 H new ATOM 0 HG21 VAL A 60 14.547 -10.499 4.303 1.00 32.30 H new ATOM 0 HG22 VAL A 60 14.027 -11.621 5.583 1.00 32.30 H new ATOM 0 HG23 VAL A 60 15.445 -10.576 5.837 1.00 32.30 H new ATOM 951 N LEU A 61 14.605 -14.902 5.937 1.00 63.30 N ATOM 952 CA LEU A 61 13.458 -15.549 6.565 1.00 40.13 C ATOM 953 C LEU A 61 13.767 -15.921 8.011 1.00 31.22 C ATOM 954 O LEU A 61 12.974 -15.653 8.913 1.00 5.35 O ATOM 955 CB LEU A 61 13.059 -16.799 5.778 1.00 12.24 C ATOM 956 CG LEU A 61 11.856 -16.650 4.846 1.00 11.33 C ATOM 957 CD1 LEU A 61 12.156 -15.645 3.744 1.00 33.44 C ATOM 958 CD2 LEU A 61 11.471 -17.997 4.252 1.00 3.13 C ATOM 0 H LEU A 61 14.995 -15.412 5.145 1.00 63.30 H new ATOM 0 HA LEU A 61 12.627 -14.844 6.561 1.00 40.13 H new ATOM 0 HB2 LEU A 61 13.915 -17.119 5.185 1.00 12.24 H new ATOM 0 HB3 LEU A 61 12.846 -17.598 6.488 1.00 12.24 H new ATOM 0 HG LEU A 61 11.013 -16.279 5.429 1.00 11.33 H new ATOM 0 HD11 LEU A 61 11.289 -15.552 3.090 1.00 33.44 H new ATOM 0 HD12 LEU A 61 12.382 -14.675 4.188 1.00 33.44 H new ATOM 0 HD13 LEU A 61 13.013 -15.987 3.163 1.00 33.44 H new ATOM 0 HD21 LEU A 61 10.613 -17.872 3.591 1.00 3.13 H new ATOM 0 HD22 LEU A 61 12.311 -18.398 3.684 1.00 3.13 H new ATOM 0 HD23 LEU A 61 11.213 -18.688 5.054 1.00 3.13 H new ATOM 970 N GLU A 62 14.925 -16.539 8.224 1.00 73.03 N ATOM 971 CA GLU A 62 15.338 -16.946 9.561 1.00 21.44 C ATOM 972 C GLU A 62 15.903 -15.762 10.341 1.00 74.13 C ATOM 973 O GLU A 62 15.800 -15.707 11.566 1.00 1.42 O ATOM 974 CB GLU A 62 16.383 -18.061 9.479 1.00 72.40 C ATOM 975 CG GLU A 62 17.653 -17.653 8.753 1.00 42.45 C ATOM 976 CD GLU A 62 18.772 -18.662 8.921 1.00 21.10 C ATOM 977 OE1 GLU A 62 18.579 -19.832 8.529 1.00 73.00 O ATOM 978 OE2 GLU A 62 19.840 -18.283 9.445 1.00 43.24 O ATOM 0 H GLU A 62 15.593 -16.768 7.488 1.00 73.03 H new ATOM 0 HA GLU A 62 14.459 -17.319 10.086 1.00 21.44 H new ATOM 0 HB2 GLU A 62 16.639 -18.382 10.489 1.00 72.40 H new ATOM 0 HB3 GLU A 62 15.945 -18.921 8.972 1.00 72.40 H new ATOM 0 HG2 GLU A 62 17.437 -17.530 7.692 1.00 42.45 H new ATOM 0 HG3 GLU A 62 17.984 -16.684 9.125 1.00 42.45 H new ATOM 985 N TRP A 63 16.498 -14.818 9.621 1.00 24.31 N ATOM 986 CA TRP A 63 17.080 -13.635 10.245 1.00 41.04 C ATOM 987 C TRP A 63 15.992 -12.718 10.793 1.00 62.13 C ATOM 988 O TRP A 63 16.087 -12.233 11.920 1.00 54.45 O ATOM 989 CB TRP A 63 17.945 -12.875 9.237 1.00 31.53 C ATOM 990 CG TRP A 63 18.930 -11.947 9.881 1.00 60.31 C ATOM 991 CD1 TRP A 63 19.671 -12.188 11.002 1.00 24.32 C ATOM 992 CD2 TRP A 63 19.279 -10.630 9.442 1.00 0.23 C ATOM 993 NE1 TRP A 63 20.460 -11.100 11.287 1.00 3.11 N ATOM 994 CE2 TRP A 63 20.239 -10.131 10.345 1.00 52.13 C ATOM 995 CE3 TRP A 63 18.876 -9.824 8.374 1.00 0.12 C ATOM 996 CZ2 TRP A 63 20.798 -8.863 10.210 1.00 24.21 C ATOM 997 CZ3 TRP A 63 19.432 -8.566 8.242 1.00 1.23 C ATOM 998 CH2 TRP A 63 20.385 -8.095 9.155 1.00 23.53 C ATOM 0 H TRP A 63 16.590 -14.848 8.606 1.00 24.31 H new ATOM 0 HA TRP A 63 17.705 -13.963 11.076 1.00 41.04 H new ATOM 0 HB2 TRP A 63 18.484 -13.592 8.618 1.00 31.53 H new ATOM 0 HB3 TRP A 63 17.298 -12.302 8.572 1.00 31.53 H new ATOM 0 HD1 TRP A 63 19.641 -13.100 11.580 1.00 24.32 H new ATOM 0 HE1 TRP A 63 21.106 -11.026 12.073 1.00 3.11 H new ATOM 0 HE3 TRP A 63 18.143 -10.178 7.664 1.00 0.12 H new ATOM 0 HZ2 TRP A 63 21.532 -8.498 10.913 1.00 24.21 H new ATOM 0 HZ3 TRP A 63 19.127 -7.935 7.421 1.00 1.23 H new ATOM 0 HH2 TRP A 63 20.802 -7.107 9.024 1.00 23.53 H new ATOM 1009 N ALA A 64 14.960 -12.485 9.989 1.00 70.34 N ATOM 1010 CA ALA A 64 13.853 -11.628 10.395 1.00 62.20 C ATOM 1011 C ALA A 64 13.239 -12.109 11.705 1.00 2.24 C ATOM 1012 O ALA A 64 12.744 -11.309 12.499 1.00 71.22 O ATOM 1013 CB ALA A 64 12.796 -11.577 9.302 1.00 61.52 C ATOM 0 H ALA A 64 14.867 -12.878 9.052 1.00 70.34 H new ATOM 0 HA ALA A 64 14.244 -10.623 10.554 1.00 62.20 H new ATOM 0 HB1 ALA A 64 11.975 -10.933 9.619 1.00 61.52 H new ATOM 0 HB2 ALA A 64 13.237 -11.179 8.388 1.00 61.52 H new ATOM 0 HB3 ALA A 64 12.417 -12.582 9.115 1.00 61.52 H new ATOM 1019 N GLU A 65 13.275 -13.419 11.925 1.00 71.51 N ATOM 1020 CA GLU A 65 12.720 -14.005 13.139 1.00 32.34 C ATOM 1021 C GLU A 65 13.646 -13.771 14.329 1.00 65.40 C ATOM 1022 O GLU A 65 13.215 -13.804 15.482 1.00 3.10 O ATOM 1023 CB GLU A 65 12.486 -15.505 12.948 1.00 63.41 C ATOM 1024 CG GLU A 65 11.387 -15.828 11.949 1.00 4.33 C ATOM 1025 CD GLU A 65 10.361 -16.796 12.504 1.00 71.21 C ATOM 1026 OE1 GLU A 65 9.811 -16.519 13.591 1.00 64.23 O ATOM 1027 OE2 GLU A 65 10.107 -17.831 11.852 1.00 2.50 O ATOM 0 H GLU A 65 13.683 -14.095 11.279 1.00 71.51 H new ATOM 0 HA GLU A 65 11.766 -13.519 13.342 1.00 32.34 H new ATOM 0 HB2 GLU A 65 13.415 -15.970 12.616 1.00 63.41 H new ATOM 0 HB3 GLU A 65 12.233 -15.950 13.910 1.00 63.41 H new ATOM 0 HG2 GLU A 65 10.888 -14.905 11.653 1.00 4.33 H new ATOM 0 HG3 GLU A 65 11.832 -16.253 11.049 1.00 4.33 H new ATOM 1034 N HIS A 66 14.923 -13.536 14.040 1.00 34.23 N ATOM 1035 CA HIS A 66 15.911 -13.297 15.086 1.00 43.24 C ATOM 1036 C HIS A 66 15.661 -11.959 15.774 1.00 14.43 C ATOM 1037 O HIS A 66 15.563 -11.888 17.000 1.00 35.11 O ATOM 1038 CB HIS A 66 17.323 -13.325 14.498 1.00 14.31 C ATOM 1039 CG HIS A 66 18.210 -14.359 15.120 1.00 52.12 C ATOM 1040 ND1 HIS A 66 18.773 -14.214 16.370 1.00 44.11 N ATOM 1041 CD2 HIS A 66 18.628 -15.560 14.657 1.00 24.10 C ATOM 1042 CE1 HIS A 66 19.502 -15.280 16.648 1.00 33.24 C ATOM 1043 NE2 HIS A 66 19.430 -16.113 15.625 1.00 1.44 N ATOM 0 H HIS A 66 15.297 -13.506 13.091 1.00 34.23 H new ATOM 0 HA HIS A 66 15.818 -14.090 15.828 1.00 43.24 H new ATOM 0 HB2 HIS A 66 17.258 -13.511 13.426 1.00 14.31 H new ATOM 0 HB3 HIS A 66 17.780 -12.343 14.624 1.00 14.31 H new ATOM 0 HD2 HIS A 66 18.377 -16.001 13.704 1.00 24.10 H new ATOM 0 HE1 HIS A 66 20.062 -15.443 17.557 1.00 33.24 H new ATOM 0 HE2 HIS A 66 19.894 -17.019 15.564 1.00 1.44 H new ATOM 1051 N LEU A 67 15.559 -10.900 14.979 1.00 54.50 N ATOM 1052 CA LEU A 67 15.320 -9.563 15.512 1.00 50.31 C ATOM 1053 C LEU A 67 13.904 -9.442 16.066 1.00 70.01 C ATOM 1054 O LEU A 67 13.664 -8.717 17.031 1.00 22.42 O ATOM 1055 CB LEU A 67 15.546 -8.511 14.424 1.00 13.13 C ATOM 1056 CG LEU A 67 14.412 -8.337 13.413 1.00 12.34 C ATOM 1057 CD1 LEU A 67 13.467 -7.230 13.856 1.00 20.33 C ATOM 1058 CD2 LEU A 67 14.972 -8.040 12.030 1.00 73.32 C ATOM 0 H LEU A 67 15.638 -10.941 13.963 1.00 54.50 H new ATOM 0 HA LEU A 67 16.024 -9.392 16.326 1.00 50.31 H new ATOM 0 HB2 LEU A 67 15.726 -7.551 14.907 1.00 13.13 H new ATOM 0 HB3 LEU A 67 16.455 -8.769 13.880 1.00 13.13 H new ATOM 0 HG LEU A 67 13.849 -9.269 13.363 1.00 12.34 H new ATOM 0 HD11 LEU A 67 12.666 -7.121 13.124 1.00 20.33 H new ATOM 0 HD12 LEU A 67 13.040 -7.483 14.826 1.00 20.33 H new ATOM 0 HD13 LEU A 67 14.017 -6.292 13.935 1.00 20.33 H new ATOM 0 HD21 LEU A 67 14.151 -7.919 11.323 1.00 73.32 H new ATOM 0 HD22 LEU A 67 15.559 -7.122 12.065 1.00 73.32 H new ATOM 0 HD23 LEU A 67 15.608 -8.866 11.710 1.00 73.32 H new ATOM 1070 N ALA A 68 12.970 -10.159 15.449 1.00 12.43 N ATOM 1071 CA ALA A 68 11.579 -10.135 15.883 1.00 35.14 C ATOM 1072 C ALA A 68 11.432 -10.707 17.289 1.00 4.25 C ATOM 1073 O ALA A 68 10.614 -10.235 18.078 1.00 23.45 O ATOM 1074 CB ALA A 68 10.707 -10.908 14.904 1.00 1.22 C ATOM 0 H ALA A 68 13.152 -10.763 14.648 1.00 12.43 H new ATOM 0 HA ALA A 68 11.250 -9.096 15.905 1.00 35.14 H new ATOM 0 HB1 ALA A 68 9.671 -10.882 15.241 1.00 1.22 H new ATOM 0 HB2 ALA A 68 10.779 -10.454 13.916 1.00 1.22 H new ATOM 0 HB3 ALA A 68 11.046 -11.943 14.853 1.00 1.22 H new ATOM 1080 N GLU A 69 12.230 -11.725 17.595 1.00 24.23 N ATOM 1081 CA GLU A 69 12.187 -12.361 18.907 1.00 64.43 C ATOM 1082 C GLU A 69 12.991 -11.560 19.927 1.00 64.13 C ATOM 1083 O GLU A 69 12.767 -11.668 21.132 1.00 11.12 O ATOM 1084 CB GLU A 69 12.729 -13.790 18.823 1.00 73.10 C ATOM 1085 CG GLU A 69 11.793 -14.755 18.114 1.00 43.23 C ATOM 1086 CD GLU A 69 11.101 -15.706 19.071 1.00 52.34 C ATOM 1087 OE1 GLU A 69 11.003 -15.374 20.270 1.00 31.14 O ATOM 1088 OE2 GLU A 69 10.657 -16.782 18.619 1.00 55.14 O ATOM 0 H GLU A 69 12.913 -12.127 16.953 1.00 24.23 H new ATOM 0 HA GLU A 69 11.147 -12.392 19.233 1.00 64.43 H new ATOM 0 HB2 GLU A 69 13.686 -13.777 18.302 1.00 73.10 H new ATOM 0 HB3 GLU A 69 12.920 -14.157 19.831 1.00 73.10 H new ATOM 0 HG2 GLU A 69 11.042 -14.188 17.564 1.00 43.23 H new ATOM 0 HG3 GLU A 69 12.358 -15.331 17.381 1.00 43.23 H new ATOM 1095 N TRP A 70 13.928 -10.758 19.434 1.00 22.10 N ATOM 1096 CA TRP A 70 14.766 -9.939 20.302 1.00 5.11 C ATOM 1097 C TRP A 70 13.928 -9.239 21.366 1.00 51.01 C ATOM 1098 O TRP A 70 14.368 -9.070 22.504 1.00 52.35 O ATOM 1099 CB TRP A 70 15.533 -8.904 19.477 1.00 71.13 C ATOM 1100 CG TRP A 70 16.994 -8.845 19.807 1.00 53.32 C ATOM 1101 CD1 TRP A 70 17.973 -9.675 19.342 1.00 22.34 C ATOM 1102 CD2 TRP A 70 17.639 -7.906 20.674 1.00 12.11 C ATOM 1103 NE1 TRP A 70 19.189 -9.309 19.869 1.00 75.42 N ATOM 1104 CE2 TRP A 70 19.010 -8.226 20.688 1.00 25.21 C ATOM 1105 CE3 TRP A 70 17.192 -6.825 21.438 1.00 11.24 C ATOM 1106 CZ2 TRP A 70 19.935 -7.504 21.438 1.00 65.24 C ATOM 1107 CZ3 TRP A 70 18.111 -6.109 22.182 1.00 61.50 C ATOM 1108 CH2 TRP A 70 19.470 -6.451 22.177 1.00 41.22 C ATOM 0 H TRP A 70 14.126 -10.657 18.439 1.00 22.10 H new ATOM 0 HA TRP A 70 15.478 -10.596 20.801 1.00 5.11 H new ATOM 0 HB2 TRP A 70 15.416 -9.135 18.418 1.00 71.13 H new ATOM 0 HB3 TRP A 70 15.091 -7.921 19.639 1.00 71.13 H new ATOM 0 HD1 TRP A 70 17.816 -10.498 18.661 1.00 22.34 H new ATOM 0 HE1 TRP A 70 20.080 -9.769 19.681 1.00 75.42 H new ATOM 0 HE3 TRP A 70 16.147 -6.554 21.447 1.00 11.24 H new ATOM 0 HZ2 TRP A 70 20.983 -7.766 21.436 1.00 65.24 H new ATOM 0 HZ3 TRP A 70 17.776 -5.272 22.777 1.00 61.50 H new ATOM 0 HH2 TRP A 70 20.164 -5.872 22.768 1.00 41.22 H new ATOM 1119 N ILE A 71 12.720 -8.835 20.989 1.00 14.33 N ATOM 1120 CA ILE A 71 11.820 -8.154 21.913 1.00 70.44 C ATOM 1121 C ILE A 71 11.677 -8.934 23.215 1.00 1.25 C ATOM 1122 O ILE A 71 11.716 -8.358 24.304 1.00 70.03 O ATOM 1123 CB ILE A 71 10.425 -7.952 21.293 1.00 73.02 C ATOM 1124 CG1 ILE A 71 9.853 -9.291 20.823 1.00 55.14 C ATOM 1125 CG2 ILE A 71 10.497 -6.965 20.137 1.00 35.31 C ATOM 1126 CD1 ILE A 71 8.623 -9.151 19.952 1.00 2.55 C ATOM 0 H ILE A 71 12.341 -8.967 20.051 1.00 14.33 H new ATOM 0 HA ILE A 71 12.260 -7.179 22.122 1.00 70.44 H new ATOM 0 HB ILE A 71 9.761 -7.542 22.054 1.00 73.02 H new ATOM 0 HG12 ILE A 71 10.621 -9.831 20.269 1.00 55.14 H new ATOM 0 HG13 ILE A 71 9.604 -9.896 21.695 1.00 55.14 H new ATOM 0 HG21 ILE A 71 9.503 -6.833 19.709 1.00 35.31 H new ATOM 0 HG22 ILE A 71 10.866 -6.006 20.500 1.00 35.31 H new ATOM 0 HG23 ILE A 71 11.173 -7.348 19.373 1.00 35.31 H new ATOM 0 HD11 ILE A 71 8.272 -10.140 19.656 1.00 2.55 H new ATOM 0 HD12 ILE A 71 7.838 -8.640 20.510 1.00 2.55 H new ATOM 0 HD13 ILE A 71 8.871 -8.573 19.062 1.00 2.55 H new ATOM 1138 N LEU A 72 11.513 -10.247 23.098 1.00 43.21 N ATOM 1139 CA LEU A 72 11.367 -11.107 24.267 1.00 75.22 C ATOM 1140 C LEU A 72 12.700 -11.278 24.988 1.00 14.33 C ATOM 1141 O LEU A 72 12.755 -11.278 26.217 1.00 33.15 O ATOM 1142 CB LEU A 72 10.819 -12.474 23.853 1.00 62.33 C ATOM 1143 CG LEU A 72 9.562 -12.458 22.983 1.00 71.44 C ATOM 1144 CD1 LEU A 72 9.841 -13.095 21.630 1.00 50.32 C ATOM 1145 CD2 LEU A 72 8.418 -13.175 23.685 1.00 10.12 C ATOM 0 H LEU A 72 11.478 -10.739 22.205 1.00 43.21 H new ATOM 0 HA LEU A 72 10.664 -10.632 24.951 1.00 75.22 H new ATOM 0 HB2 LEU A 72 11.602 -13.009 23.315 1.00 62.33 H new ATOM 0 HB3 LEU A 72 10.604 -13.046 24.756 1.00 62.33 H new ATOM 0 HG LEU A 72 9.270 -11.421 22.821 1.00 71.44 H new ATOM 0 HD11 LEU A 72 8.935 -13.075 21.024 1.00 50.32 H new ATOM 0 HD12 LEU A 72 10.629 -12.540 21.122 1.00 50.32 H new ATOM 0 HD13 LEU A 72 10.159 -14.128 21.773 1.00 50.32 H new ATOM 0 HD21 LEU A 72 7.532 -13.154 23.051 1.00 10.12 H new ATOM 0 HD22 LEU A 72 8.701 -14.210 23.878 1.00 10.12 H new ATOM 0 HD23 LEU A 72 8.201 -12.676 24.629 1.00 10.12 H new ATOM 1157 N GLU A 73 13.771 -11.420 24.215 1.00 63.22 N ATOM 1158 CA GLU A 73 15.104 -11.590 24.781 1.00 2.13 C ATOM 1159 C GLU A 73 15.425 -10.467 25.763 1.00 10.14 C ATOM 1160 O GLU A 73 16.164 -10.663 26.728 1.00 24.24 O ATOM 1161 CB GLU A 73 16.155 -11.625 23.669 1.00 34.01 C ATOM 1162 CG GLU A 73 17.263 -12.636 23.910 1.00 32.14 C ATOM 1163 CD GLU A 73 18.578 -12.222 23.279 1.00 10.24 C ATOM 1164 OE1 GLU A 73 18.934 -11.029 23.381 1.00 40.13 O ATOM 1165 OE2 GLU A 73 19.251 -13.089 22.685 1.00 73.44 O ATOM 0 H GLU A 73 13.742 -11.421 23.195 1.00 63.22 H new ATOM 0 HA GLU A 73 15.124 -12.538 25.319 1.00 2.13 H new ATOM 0 HB2 GLU A 73 15.664 -11.855 22.724 1.00 34.01 H new ATOM 0 HB3 GLU A 73 16.596 -10.633 23.566 1.00 34.01 H new ATOM 0 HG2 GLU A 73 17.404 -12.766 24.983 1.00 32.14 H new ATOM 0 HG3 GLU A 73 16.961 -13.603 23.509 1.00 32.14 H new ATOM 1172 N HIS A 74 14.864 -9.289 25.510 1.00 12.20 N ATOM 1173 CA HIS A 74 15.089 -8.133 26.371 1.00 25.43 C ATOM 1174 C HIS A 74 14.444 -8.340 27.738 1.00 21.52 C ATOM 1175 O HIS A 74 14.942 -7.848 28.751 1.00 22.22 O ATOM 1176 CB HIS A 74 14.533 -6.868 25.718 1.00 5.43 C ATOM 1177 CG HIS A 74 14.866 -5.613 26.465 1.00 4.30 C ATOM 1178 ND1 HIS A 74 13.907 -4.775 26.994 1.00 44.45 N ATOM 1179 CD2 HIS A 74 16.061 -5.056 26.772 1.00 2.21 C ATOM 1180 CE1 HIS A 74 14.498 -3.755 27.592 1.00 71.52 C ATOM 1181 NE2 HIS A 74 15.805 -3.903 27.472 1.00 0.52 N ATOM 0 H HIS A 74 14.250 -9.110 24.716 1.00 12.20 H new ATOM 0 HA HIS A 74 16.164 -8.018 26.510 1.00 25.43 H new ATOM 0 HB2 HIS A 74 14.923 -6.791 24.703 1.00 5.43 H new ATOM 0 HB3 HIS A 74 13.450 -6.957 25.637 1.00 5.43 H new ATOM 0 HD2 HIS A 74 17.035 -5.446 26.514 1.00 2.21 H new ATOM 0 HE1 HIS A 74 13.998 -2.940 28.093 1.00 71.52 H new ATOM 0 HE2 HIS A 74 16.510 -3.264 27.840 1.00 0.52 H new