USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 589 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.1) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) 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 X(o=0,f=-0.0044) 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= -0.282 K(o=-0.28,f=-2.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.251 X(o=-0.25,f=-0.014) USER MOD Single : A 55 HIS : no HD1:sc= -0.606 K(o=-0.61,f=-0.084) 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=-0.0092) USER MOD Single : A 74 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.281 -2.407 -4.029 1.00 40.34 N ATOM 2 CA MET A 1 2.722 -2.581 -4.172 1.00 32.22 C ATOM 3 C MET A 1 3.177 -3.891 -3.535 1.00 55.40 C ATOM 4 O MET A 1 2.542 -4.395 -2.610 1.00 73.41 O ATOM 5 CB MET A 1 3.465 -1.406 -3.535 1.00 11.55 C ATOM 6 CG MET A 1 4.684 -0.957 -4.324 1.00 61.30 C ATOM 7 SD MET A 1 5.968 -0.248 -3.276 1.00 1.32 S ATOM 8 CE MET A 1 7.244 0.091 -4.486 1.00 3.11 C ATOM 0 H1 MET A 1 0.994 -1.510 -4.469 1.00 40.34 H new ATOM 0 H2 MET A 1 0.788 -3.195 -4.496 1.00 40.34 H new ATOM 0 H3 MET A 1 1.032 -2.392 -3.019 1.00 40.34 H new ATOM 0 HA MET A 1 2.955 -2.614 -5.236 1.00 32.22 H new ATOM 0 HB2 MET A 1 2.779 -0.565 -3.433 1.00 11.55 H new ATOM 0 HB3 MET A 1 3.777 -1.687 -2.529 1.00 11.55 H new ATOM 0 HG2 MET A 1 5.094 -1.808 -4.868 1.00 61.30 H new ATOM 0 HG3 MET A 1 4.380 -0.220 -5.067 1.00 61.30 H new ATOM 0 HE1 MET A 1 8.108 0.534 -3.990 1.00 3.11 H new ATOM 0 HE2 MET A 1 7.542 -0.839 -4.971 1.00 3.11 H new ATOM 0 HE3 MET A 1 6.861 0.784 -5.235 1.00 3.11 H new ATOM 18 N GLY A 2 4.280 -4.436 -4.037 1.00 63.02 N ATOM 19 CA GLY A 2 4.800 -5.682 -3.505 1.00 62.11 C ATOM 20 C GLY A 2 6.265 -5.888 -3.838 1.00 34.43 C ATOM 21 O GLY A 2 6.599 -6.464 -4.874 1.00 24.13 O ATOM 0 H GLY A 2 4.823 -4.037 -4.803 1.00 63.02 H new ATOM 0 HA2 GLY A 2 4.672 -5.693 -2.423 1.00 62.11 H new ATOM 0 HA3 GLY A 2 4.219 -6.514 -3.903 1.00 62.11 H new ATOM 25 N THR A 3 7.142 -5.416 -2.958 1.00 2.22 N ATOM 26 CA THR A 3 8.579 -5.549 -3.164 1.00 53.44 C ATOM 27 C THR A 3 9.259 -6.139 -1.934 1.00 53.14 C ATOM 28 O THR A 3 8.849 -5.879 -0.803 1.00 20.24 O ATOM 29 CB THR A 3 9.227 -4.191 -3.493 1.00 51.52 C ATOM 30 OG1 THR A 3 8.715 -3.179 -2.619 1.00 0.24 O ATOM 31 CG2 THR A 3 8.961 -3.800 -4.939 1.00 41.02 C ATOM 0 H THR A 3 6.882 -4.938 -2.095 1.00 2.22 H new ATOM 0 HA THR A 3 8.716 -6.223 -4.009 1.00 53.44 H new ATOM 0 HB THR A 3 10.304 -4.284 -3.350 1.00 51.52 H new ATOM 0 HG1 THR A 3 9.133 -2.319 -2.834 1.00 0.24 H new ATOM 0 HG21 THR A 3 9.428 -2.838 -5.148 1.00 41.02 H new ATOM 0 HG22 THR A 3 9.378 -4.557 -5.603 1.00 41.02 H new ATOM 0 HG23 THR A 3 7.886 -3.725 -5.104 1.00 41.02 H new ATOM 39 N ILE A 4 10.299 -6.933 -2.163 1.00 61.03 N ATOM 40 CA ILE A 4 11.037 -7.558 -1.073 1.00 33.44 C ATOM 41 C ILE A 4 11.462 -6.526 -0.034 1.00 34.35 C ATOM 42 O ILE A 4 11.360 -6.764 1.170 1.00 11.01 O ATOM 43 CB ILE A 4 12.287 -8.296 -1.588 1.00 53.33 C ATOM 44 CG1 ILE A 4 11.890 -9.370 -2.602 1.00 75.43 C ATOM 45 CG2 ILE A 4 13.054 -8.912 -0.428 1.00 63.03 C ATOM 46 CD1 ILE A 4 10.908 -10.384 -2.056 1.00 1.41 C ATOM 0 H ILE A 4 10.650 -7.159 -3.094 1.00 61.03 H new ATOM 0 HA ILE A 4 10.364 -8.280 -0.611 1.00 33.44 H new ATOM 0 HB ILE A 4 12.937 -7.576 -2.086 1.00 53.33 H new ATOM 0 HG12 ILE A 4 11.454 -8.888 -3.477 1.00 75.43 H new ATOM 0 HG13 ILE A 4 12.787 -9.890 -2.938 1.00 75.43 H new ATOM 0 HG21 ILE A 4 13.935 -9.430 -0.808 1.00 63.03 H new ATOM 0 HG22 ILE A 4 13.364 -8.126 0.261 1.00 63.03 H new ATOM 0 HG23 ILE A 4 12.414 -9.622 0.096 1.00 63.03 H new ATOM 0 HD11 ILE A 4 10.672 -11.115 -2.830 1.00 1.41 H new ATOM 0 HD12 ILE A 4 11.349 -10.893 -1.199 1.00 1.41 H new ATOM 0 HD13 ILE A 4 9.995 -9.876 -1.746 1.00 1.41 H new ATOM 58 N ASP A 5 11.936 -5.379 -0.507 1.00 22.42 N ATOM 59 CA ASP A 5 12.374 -4.309 0.381 1.00 0.41 C ATOM 60 C ASP A 5 11.289 -3.968 1.398 1.00 52.45 C ATOM 61 O ASP A 5 11.583 -3.543 2.515 1.00 15.40 O ATOM 62 CB ASP A 5 12.741 -3.064 -0.428 1.00 42.15 C ATOM 63 CG ASP A 5 13.666 -3.379 -1.588 1.00 33.32 C ATOM 64 OD1 ASP A 5 14.692 -4.054 -1.361 1.00 51.43 O ATOM 65 OD2 ASP A 5 13.364 -2.951 -2.722 1.00 14.04 O ATOM 0 H ASP A 5 12.027 -5.166 -1.500 1.00 22.42 H new ATOM 0 HA ASP A 5 13.256 -4.656 0.920 1.00 0.41 H new ATOM 0 HB2 ASP A 5 11.831 -2.600 -0.808 1.00 42.15 H new ATOM 0 HB3 ASP A 5 13.220 -2.336 0.227 1.00 42.15 H new ATOM 70 N ASP A 6 10.035 -4.156 1.002 1.00 53.33 N ATOM 71 CA ASP A 6 8.905 -3.868 1.878 1.00 21.10 C ATOM 72 C ASP A 6 8.935 -4.762 3.114 1.00 74.02 C ATOM 73 O ASP A 6 8.544 -4.344 4.203 1.00 21.45 O ATOM 74 CB ASP A 6 7.587 -4.060 1.126 1.00 1.30 C ATOM 75 CG ASP A 6 6.521 -3.075 1.566 1.00 64.15 C ATOM 76 OD1 ASP A 6 6.750 -1.855 1.432 1.00 3.03 O ATOM 77 OD2 ASP A 6 5.459 -3.525 2.044 1.00 54.34 O ATOM 0 H ASP A 6 9.775 -4.507 0.080 1.00 53.33 H new ATOM 0 HA ASP A 6 8.982 -2.830 2.200 1.00 21.10 H new ATOM 0 HB2 ASP A 6 7.763 -3.947 0.056 1.00 1.30 H new ATOM 0 HB3 ASP A 6 7.226 -5.076 1.284 1.00 1.30 H new ATOM 82 N ALA A 7 9.399 -5.994 2.935 1.00 24.35 N ATOM 83 CA ALA A 7 9.481 -6.947 4.036 1.00 53.32 C ATOM 84 C ALA A 7 10.483 -6.485 5.088 1.00 31.35 C ATOM 85 O ALA A 7 10.184 -6.475 6.283 1.00 55.43 O ATOM 86 CB ALA A 7 9.858 -8.325 3.514 1.00 74.32 C ATOM 0 H ALA A 7 9.724 -6.356 2.038 1.00 24.35 H new ATOM 0 HA ALA A 7 8.500 -7.005 4.508 1.00 53.32 H new ATOM 0 HB1 ALA A 7 9.916 -9.026 4.347 1.00 74.32 H new ATOM 0 HB2 ALA A 7 9.103 -8.665 2.805 1.00 74.32 H new ATOM 0 HB3 ALA A 7 10.826 -8.273 3.016 1.00 74.32 H new ATOM 92 N PHE A 8 11.674 -6.105 4.638 1.00 20.22 N ATOM 93 CA PHE A 8 12.722 -5.644 5.542 1.00 35.30 C ATOM 94 C PHE A 8 12.314 -4.344 6.229 1.00 71.11 C ATOM 95 O PHE A 8 12.691 -4.089 7.373 1.00 65.05 O ATOM 96 CB PHE A 8 14.031 -5.441 4.778 1.00 63.55 C ATOM 97 CG PHE A 8 14.362 -6.571 3.844 1.00 13.02 C ATOM 98 CD1 PHE A 8 14.209 -7.888 4.248 1.00 45.31 C ATOM 99 CD2 PHE A 8 14.824 -6.316 2.563 1.00 30.12 C ATOM 100 CE1 PHE A 8 14.514 -8.929 3.391 1.00 14.22 C ATOM 101 CE2 PHE A 8 15.129 -7.353 1.702 1.00 63.21 C ATOM 102 CZ PHE A 8 14.973 -8.661 2.116 1.00 31.24 C ATOM 0 H PHE A 8 11.938 -6.107 3.653 1.00 20.22 H new ATOM 0 HA PHE A 8 12.870 -6.407 6.306 1.00 35.30 H new ATOM 0 HB2 PHE A 8 13.969 -4.515 4.207 1.00 63.55 H new ATOM 0 HB3 PHE A 8 14.845 -5.321 5.493 1.00 63.55 H new ATOM 0 HD1 PHE A 8 13.848 -8.103 5.243 1.00 45.31 H new ATOM 0 HD2 PHE A 8 14.947 -5.295 2.233 1.00 30.12 H new ATOM 0 HE1 PHE A 8 14.393 -9.951 3.718 1.00 14.22 H new ATOM 0 HE2 PHE A 8 15.489 -7.141 0.706 1.00 63.21 H new ATOM 0 HZ PHE A 8 15.209 -9.473 1.444 1.00 31.24 H new ATOM 112 N ARG A 9 11.541 -3.526 5.522 1.00 3.42 N ATOM 113 CA ARG A 9 11.084 -2.251 6.062 1.00 34.01 C ATOM 114 C ARG A 9 9.920 -2.456 7.027 1.00 34.03 C ATOM 115 O ARG A 9 9.772 -1.720 8.003 1.00 63.34 O ATOM 116 CB ARG A 9 10.661 -1.315 4.928 1.00 1.13 C ATOM 117 CG ARG A 9 11.831 -0.681 4.194 1.00 1.32 C ATOM 118 CD ARG A 9 11.363 0.385 3.215 1.00 21.32 C ATOM 119 NE ARG A 9 11.630 1.734 3.706 1.00 41.12 N ATOM 120 CZ ARG A 9 11.493 2.827 2.963 1.00 73.30 C ATOM 121 NH1 ARG A 9 11.093 2.730 1.703 1.00 72.54 N ATOM 122 NH2 ARG A 9 11.755 4.020 3.481 1.00 71.10 N ATOM 0 H ARG A 9 11.218 -3.723 4.575 1.00 3.42 H new ATOM 0 HA ARG A 9 11.912 -1.798 6.608 1.00 34.01 H new ATOM 0 HB2 ARG A 9 10.055 -1.873 4.215 1.00 1.13 H new ATOM 0 HB3 ARG A 9 10.028 -0.527 5.336 1.00 1.13 H new ATOM 0 HG2 ARG A 9 12.517 -0.238 4.915 1.00 1.32 H new ATOM 0 HG3 ARG A 9 12.386 -1.451 3.658 1.00 1.32 H new ATOM 0 HD2 ARG A 9 11.863 0.242 2.257 1.00 21.32 H new ATOM 0 HD3 ARG A 9 10.294 0.269 3.037 1.00 21.32 H new ATOM 0 HE ARG A 9 11.939 1.843 4.672 1.00 41.12 H new ATOM 0 HH11 ARG A 9 10.890 1.815 1.302 1.00 72.54 H new ATOM 0 HH12 ARG A 9 10.989 3.571 1.135 1.00 72.54 H new ATOM 0 HH21 ARG A 9 12.062 4.099 4.451 1.00 71.10 H new ATOM 0 HH22 ARG A 9 11.650 4.858 2.910 1.00 71.10 H new ATOM 136 N ALA A 10 9.095 -3.460 6.747 1.00 24.34 N ATOM 137 CA ALA A 10 7.946 -3.763 7.591 1.00 10.00 C ATOM 138 C ALA A 10 8.377 -4.462 8.876 1.00 11.41 C ATOM 139 O ALA A 10 7.694 -4.379 9.897 1.00 30.14 O ATOM 140 CB ALA A 10 6.945 -4.621 6.831 1.00 22.35 C ATOM 0 H ALA A 10 9.201 -4.077 5.942 1.00 24.34 H new ATOM 0 HA ALA A 10 7.468 -2.822 7.864 1.00 10.00 H new ATOM 0 HB1 ALA A 10 6.092 -4.840 7.473 1.00 22.35 H new ATOM 0 HB2 ALA A 10 6.604 -4.085 5.945 1.00 22.35 H new ATOM 0 HB3 ALA A 10 7.421 -5.554 6.529 1.00 22.35 H new ATOM 146 N ILE A 11 9.512 -5.149 8.818 1.00 24.21 N ATOM 147 CA ILE A 11 10.034 -5.862 9.978 1.00 53.41 C ATOM 148 C ILE A 11 10.084 -4.955 11.203 1.00 43.11 C ATOM 149 O ILE A 11 9.980 -5.421 12.337 1.00 74.43 O ATOM 150 CB ILE A 11 11.443 -6.421 9.709 1.00 41.15 C ATOM 151 CG1 ILE A 11 11.714 -7.634 10.601 1.00 14.43 C ATOM 152 CG2 ILE A 11 12.493 -5.344 9.937 1.00 51.43 C ATOM 153 CD1 ILE A 11 11.072 -8.908 10.100 1.00 75.20 C ATOM 0 H ILE A 11 10.088 -5.227 7.980 1.00 24.21 H new ATOM 0 HA ILE A 11 9.354 -6.692 10.170 1.00 53.41 H new ATOM 0 HB ILE A 11 11.498 -6.740 8.668 1.00 41.15 H new ATOM 0 HG12 ILE A 11 12.791 -7.785 10.678 1.00 14.43 H new ATOM 0 HG13 ILE A 11 11.349 -7.424 11.607 1.00 14.43 H new ATOM 0 HG21 ILE A 11 13.484 -5.755 9.743 1.00 51.43 H new ATOM 0 HG22 ILE A 11 12.309 -4.507 9.263 1.00 51.43 H new ATOM 0 HG23 ILE A 11 12.440 -4.997 10.969 1.00 51.43 H new ATOM 0 HD11 ILE A 11 11.306 -9.726 10.781 1.00 75.20 H new ATOM 0 HD12 ILE A 11 9.991 -8.776 10.050 1.00 75.20 H new ATOM 0 HD13 ILE A 11 11.455 -9.142 9.107 1.00 75.20 H new ATOM 165 N GLU A 12 10.244 -3.657 10.965 1.00 11.34 N ATOM 166 CA GLU A 12 10.307 -2.684 12.050 1.00 22.43 C ATOM 167 C GLU A 12 9.061 -2.766 12.927 1.00 11.40 C ATOM 168 O GLU A 12 9.124 -2.542 14.136 1.00 52.40 O ATOM 169 CB GLU A 12 10.458 -1.269 11.488 1.00 35.14 C ATOM 170 CG GLU A 12 11.333 -0.366 12.341 1.00 41.25 C ATOM 171 CD GLU A 12 11.308 1.078 11.876 1.00 20.44 C ATOM 172 OE1 GLU A 12 10.200 1.607 11.648 1.00 44.43 O ATOM 173 OE2 GLU A 12 12.395 1.677 11.742 1.00 40.04 O ATOM 0 H GLU A 12 10.332 -3.255 10.032 1.00 11.34 H new ATOM 0 HA GLU A 12 11.177 -2.917 12.663 1.00 22.43 H new ATOM 0 HB2 GLU A 12 10.881 -1.329 10.485 1.00 35.14 H new ATOM 0 HB3 GLU A 12 9.470 -0.818 11.391 1.00 35.14 H new ATOM 0 HG2 GLU A 12 10.999 -0.416 13.377 1.00 41.25 H new ATOM 0 HG3 GLU A 12 12.359 -0.734 12.319 1.00 41.25 H new ATOM 180 N ARG A 13 7.929 -3.087 12.308 1.00 4.04 N ATOM 181 CA ARG A 13 6.668 -3.196 13.031 1.00 31.11 C ATOM 182 C ARG A 13 6.685 -4.393 13.977 1.00 20.30 C ATOM 183 O ARG A 13 6.021 -4.388 15.013 1.00 53.02 O ATOM 184 CB ARG A 13 5.502 -3.325 12.049 1.00 64.43 C ATOM 185 CG ARG A 13 4.308 -2.455 12.403 1.00 33.12 C ATOM 186 CD ARG A 13 4.293 -1.171 11.589 1.00 1.33 C ATOM 187 NE ARG A 13 4.020 0.000 12.419 1.00 73.22 N ATOM 188 CZ ARG A 13 3.891 1.230 11.934 1.00 2.04 C ATOM 189 NH1 ARG A 13 4.010 1.449 10.632 1.00 2.12 N ATOM 190 NH2 ARG A 13 3.643 2.244 12.753 1.00 15.12 N ATOM 0 H ARG A 13 7.860 -3.276 11.308 1.00 4.04 H new ATOM 0 HA ARG A 13 6.538 -2.290 13.622 1.00 31.11 H new ATOM 0 HB2 ARG A 13 5.849 -3.062 11.050 1.00 64.43 H new ATOM 0 HB3 ARG A 13 5.183 -4.367 12.012 1.00 64.43 H new ATOM 0 HG2 ARG A 13 3.387 -3.010 12.226 1.00 33.12 H new ATOM 0 HG3 ARG A 13 4.335 -2.213 13.465 1.00 33.12 H new ATOM 0 HD2 ARG A 13 5.255 -1.046 11.091 1.00 1.33 H new ATOM 0 HD3 ARG A 13 3.537 -1.246 10.808 1.00 1.33 H new ATOM 0 HE ARG A 13 3.923 -0.134 13.425 1.00 73.22 H new ATOM 0 HH11 ARG A 13 4.201 0.672 10.000 1.00 2.12 H new ATOM 0 HH12 ARG A 13 3.910 2.395 10.263 1.00 2.12 H new ATOM 0 HH21 ARG A 13 3.551 2.079 13.755 1.00 15.12 H new ATOM 0 HH22 ARG A 13 3.544 3.188 12.380 1.00 15.12 H new ATOM 204 N ALA A 14 7.449 -5.418 13.613 1.00 51.14 N ATOM 205 CA ALA A 14 7.554 -6.621 14.429 1.00 53.11 C ATOM 206 C ALA A 14 8.353 -6.354 15.700 1.00 61.13 C ATOM 207 O ALA A 14 7.935 -6.725 16.797 1.00 73.43 O ATOM 208 CB ALA A 14 8.191 -7.748 13.629 1.00 12.41 C ATOM 0 H ALA A 14 8.004 -5.439 12.758 1.00 51.14 H new ATOM 0 HA ALA A 14 6.548 -6.922 14.720 1.00 53.11 H new ATOM 0 HB1 ALA A 14 8.263 -8.640 14.251 1.00 12.41 H new ATOM 0 HB2 ALA A 14 7.578 -7.964 12.754 1.00 12.41 H new ATOM 0 HB3 ALA A 14 9.189 -7.448 13.308 1.00 12.41 H new ATOM 214 N ILE A 15 9.505 -5.710 15.544 1.00 14.54 N ATOM 215 CA ILE A 15 10.362 -5.393 16.680 1.00 33.32 C ATOM 216 C ILE A 15 9.735 -4.316 17.559 1.00 73.30 C ATOM 217 O ILE A 15 9.902 -4.322 18.778 1.00 0.11 O ATOM 218 CB ILE A 15 11.753 -4.919 16.221 1.00 61.24 C ATOM 219 CG1 ILE A 15 12.666 -4.700 17.429 1.00 50.12 C ATOM 220 CG2 ILE A 15 11.634 -3.643 15.401 1.00 11.23 C ATOM 221 CD1 ILE A 15 13.993 -5.418 17.322 1.00 40.13 C ATOM 0 H ILE A 15 9.866 -5.398 14.643 1.00 14.54 H new ATOM 0 HA ILE A 15 10.472 -6.311 17.257 1.00 33.32 H new ATOM 0 HB ILE A 15 12.194 -5.692 15.592 1.00 61.24 H new ATOM 0 HG12 ILE A 15 12.849 -3.632 17.547 1.00 50.12 H new ATOM 0 HG13 ILE A 15 12.151 -5.037 18.329 1.00 50.12 H new ATOM 0 HG21 ILE A 15 12.626 -3.320 15.084 1.00 11.23 H new ATOM 0 HG22 ILE A 15 11.016 -3.831 14.523 1.00 11.23 H new ATOM 0 HG23 ILE A 15 11.175 -2.862 16.008 1.00 11.23 H new ATOM 0 HD11 ILE A 15 14.588 -5.218 18.213 1.00 40.13 H new ATOM 0 HD12 ILE A 15 13.820 -6.491 17.235 1.00 40.13 H new ATOM 0 HD13 ILE A 15 14.528 -5.064 16.441 1.00 40.13 H new ATOM 233 N GLN A 16 9.011 -3.395 16.931 1.00 21.00 N ATOM 234 CA GLN A 16 8.358 -2.312 17.657 1.00 72.23 C ATOM 235 C GLN A 16 7.425 -2.862 18.731 1.00 4.22 C ATOM 236 O GLN A 16 7.140 -2.190 19.722 1.00 22.00 O ATOM 237 CB GLN A 16 7.574 -1.423 16.690 1.00 15.24 C ATOM 238 CG GLN A 16 8.404 -0.303 16.084 1.00 70.34 C ATOM 239 CD GLN A 16 8.763 0.770 17.092 1.00 33.15 C ATOM 240 OE1 GLN A 16 7.922 1.583 17.476 1.00 12.42 O ATOM 241 NE2 GLN A 16 10.017 0.777 17.528 1.00 0.54 N ATOM 0 H GLN A 16 8.862 -3.377 15.922 1.00 21.00 H new ATOM 0 HA GLN A 16 9.130 -1.716 18.143 1.00 72.23 H new ATOM 0 HB2 GLN A 16 7.171 -2.041 15.887 1.00 15.24 H new ATOM 0 HB3 GLN A 16 6.723 -0.990 17.216 1.00 15.24 H new ATOM 0 HG2 GLN A 16 9.318 -0.721 15.663 1.00 70.34 H new ATOM 0 HG3 GLN A 16 7.851 0.148 15.260 1.00 70.34 H new ATOM 0 HE21 GLN A 16 10.681 0.084 17.183 1.00 0.54 H new ATOM 0 HE22 GLN A 16 10.316 1.475 18.208 1.00 0.54 H new ATOM 250 N ALA A 17 6.953 -4.087 18.527 1.00 22.35 N ATOM 251 CA ALA A 17 6.054 -4.728 19.480 1.00 43.44 C ATOM 252 C ALA A 17 6.628 -4.682 20.892 1.00 73.31 C ATOM 253 O ALA A 17 5.955 -4.258 21.831 1.00 41.13 O ATOM 254 CB ALA A 17 5.783 -6.166 19.064 1.00 51.10 C ATOM 0 H ALA A 17 7.178 -4.656 17.711 1.00 22.35 H new ATOM 0 HA ALA A 17 5.113 -4.178 19.481 1.00 43.44 H new ATOM 0 HB1 ALA A 17 5.111 -6.633 19.784 1.00 51.10 H new ATOM 0 HB2 ALA A 17 5.322 -6.178 18.076 1.00 51.10 H new ATOM 0 HB3 ALA A 17 6.722 -6.719 19.033 1.00 51.10 H new ATOM 260 N GLU A 18 7.874 -5.123 21.034 1.00 32.22 N ATOM 261 CA GLU A 18 8.536 -5.134 22.333 1.00 11.24 C ATOM 262 C GLU A 18 7.785 -6.024 23.319 1.00 21.14 C ATOM 263 O GLU A 18 7.373 -5.575 24.388 1.00 53.32 O ATOM 264 CB GLU A 18 8.639 -3.712 22.890 1.00 61.04 C ATOM 265 CG GLU A 18 9.322 -2.737 21.945 1.00 73.10 C ATOM 266 CD GLU A 18 10.383 -1.903 22.635 1.00 44.30 C ATOM 267 OE1 GLU A 18 11.104 -2.453 23.494 1.00 14.24 O ATOM 268 OE2 GLU A 18 10.494 -0.701 22.316 1.00 0.52 O ATOM 0 H GLU A 18 8.445 -5.477 20.266 1.00 32.22 H new ATOM 0 HA GLU A 18 9.539 -5.537 22.197 1.00 11.24 H new ATOM 0 HB2 GLU A 18 7.638 -3.346 23.115 1.00 61.04 H new ATOM 0 HB3 GLU A 18 9.188 -3.738 23.831 1.00 61.04 H new ATOM 0 HG2 GLU A 18 9.777 -3.291 21.124 1.00 73.10 H new ATOM 0 HG3 GLU A 18 8.574 -2.076 21.507 1.00 73.10 H new ATOM 275 N ASN A 19 7.611 -7.289 22.951 1.00 24.45 N ATOM 276 CA ASN A 19 6.909 -8.243 23.802 1.00 24.44 C ATOM 277 C ASN A 19 5.455 -7.827 24.002 1.00 5.33 C ATOM 278 O ASN A 19 5.148 -7.007 24.868 1.00 62.55 O ATOM 279 CB ASN A 19 7.609 -8.361 25.158 1.00 42.51 C ATOM 280 CG ASN A 19 7.273 -9.655 25.872 1.00 32.32 C ATOM 281 OD1 ASN A 19 6.478 -9.670 26.813 1.00 64.14 O ATOM 282 ND2 ASN A 19 7.878 -10.751 25.428 1.00 50.53 N ATOM 0 H ASN A 19 7.946 -7.677 22.069 1.00 24.45 H new ATOM 0 HA ASN A 19 6.926 -9.214 23.307 1.00 24.44 H new ATOM 0 HB2 ASN A 19 8.688 -8.299 25.013 1.00 42.51 H new ATOM 0 HB3 ASN A 19 7.322 -7.518 25.786 1.00 42.51 H new ATOM 0 HD21 ASN A 19 7.691 -11.651 25.870 1.00 50.53 H new ATOM 0 HD22 ASN A 19 8.530 -10.692 24.645 1.00 50.53 H new ATOM 289 N GLU A 20 4.566 -8.397 23.196 1.00 33.42 N ATOM 290 CA GLU A 20 3.144 -8.085 23.285 1.00 2.41 C ATOM 291 C GLU A 20 2.302 -9.206 22.685 1.00 73.32 C ATOM 292 O GLU A 20 1.339 -9.669 23.295 1.00 22.43 O ATOM 293 CB GLU A 20 2.844 -6.767 22.568 1.00 14.43 C ATOM 294 CG GLU A 20 3.096 -5.537 23.424 1.00 13.25 C ATOM 295 CD GLU A 20 2.253 -4.349 23.002 1.00 31.21 C ATOM 296 OE1 GLU A 20 2.652 -3.646 22.051 1.00 42.30 O ATOM 297 OE2 GLU A 20 1.193 -4.124 23.623 1.00 1.35 O ATOM 0 H GLU A 20 4.805 -9.077 22.474 1.00 33.42 H new ATOM 0 HA GLU A 20 2.885 -7.985 24.339 1.00 2.41 H new ATOM 0 HB2 GLU A 20 3.457 -6.705 21.669 1.00 14.43 H new ATOM 0 HB3 GLU A 20 1.803 -6.768 22.245 1.00 14.43 H new ATOM 0 HG2 GLU A 20 2.885 -5.775 24.467 1.00 13.25 H new ATOM 0 HG3 GLU A 20 4.151 -5.268 23.366 1.00 13.25 H new ATOM 304 N GLY A 21 2.672 -9.638 21.483 1.00 75.22 N ATOM 305 CA GLY A 21 1.940 -10.701 20.819 1.00 72.20 C ATOM 306 C GLY A 21 1.772 -10.449 19.334 1.00 74.43 C ATOM 307 O GLY A 21 1.523 -11.378 18.564 1.00 13.42 O ATOM 0 H GLY A 21 3.465 -9.271 20.957 1.00 75.22 H new ATOM 0 HA2 GLY A 21 2.463 -11.646 20.967 1.00 72.20 H new ATOM 0 HA3 GLY A 21 0.958 -10.805 21.280 1.00 72.20 H new ATOM 311 N ARG A 22 1.906 -9.190 18.930 1.00 60.44 N ATOM 312 CA ARG A 22 1.764 -8.819 17.527 1.00 63.00 C ATOM 313 C ARG A 22 2.989 -9.248 16.725 1.00 43.14 C ATOM 314 O ARG A 22 2.906 -9.472 15.517 1.00 74.31 O ATOM 315 CB ARG A 22 1.558 -7.309 17.396 1.00 44.25 C ATOM 316 CG ARG A 22 0.104 -6.906 17.212 1.00 64.24 C ATOM 317 CD ARG A 22 -0.750 -7.353 18.387 1.00 14.23 C ATOM 318 NE ARG A 22 -2.069 -6.724 18.376 1.00 64.34 N ATOM 319 CZ ARG A 22 -3.045 -7.080 17.548 1.00 31.04 C ATOM 320 NH1 ARG A 22 -2.853 -8.055 16.671 1.00 43.13 N ATOM 321 NH2 ARG A 22 -4.217 -6.460 17.599 1.00 74.55 N ATOM 0 H ARG A 22 2.113 -8.410 19.554 1.00 60.44 H new ATOM 0 HA ARG A 22 0.891 -9.334 17.127 1.00 63.00 H new ATOM 0 HB2 ARG A 22 1.952 -6.819 18.286 1.00 44.25 H new ATOM 0 HB3 ARG A 22 2.137 -6.944 16.548 1.00 44.25 H new ATOM 0 HG2 ARG A 22 0.036 -5.824 17.102 1.00 64.24 H new ATOM 0 HG3 ARG A 22 -0.283 -7.344 16.292 1.00 64.24 H new ATOM 0 HD2 ARG A 22 -0.865 -8.437 18.360 1.00 14.23 H new ATOM 0 HD3 ARG A 22 -0.240 -7.110 19.319 1.00 14.23 H new ATOM 0 HE ARG A 22 -2.250 -5.971 19.040 1.00 64.34 H new ATOM 0 HH11 ARG A 22 -1.954 -8.535 16.630 1.00 43.13 H new ATOM 0 HH12 ARG A 22 -3.605 -8.326 16.037 1.00 43.13 H new ATOM 0 HH21 ARG A 22 -4.368 -5.710 18.274 1.00 74.55 H new ATOM 0 HH22 ARG A 22 -4.967 -6.733 16.963 1.00 74.55 H new ATOM 335 N TYR A 23 4.126 -9.359 17.404 1.00 55.03 N ATOM 336 CA TYR A 23 5.368 -9.758 16.754 1.00 44.21 C ATOM 337 C TYR A 23 5.179 -11.046 15.959 1.00 33.45 C ATOM 338 O TYR A 23 5.820 -11.254 14.929 1.00 2.23 O ATOM 339 CB TYR A 23 6.475 -9.945 17.794 1.00 53.34 C ATOM 340 CG TYR A 23 6.250 -11.125 18.711 1.00 23.50 C ATOM 341 CD1 TYR A 23 5.351 -11.049 19.767 1.00 3.35 C ATOM 342 CD2 TYR A 23 6.937 -12.318 18.520 1.00 31.44 C ATOM 343 CE1 TYR A 23 5.144 -12.125 20.608 1.00 11.25 C ATOM 344 CE2 TYR A 23 6.735 -13.400 19.356 1.00 73.24 C ATOM 345 CZ TYR A 23 5.838 -13.298 20.398 1.00 33.34 C ATOM 346 OH TYR A 23 5.633 -14.373 21.233 1.00 12.01 O ATOM 0 H TYR A 23 4.213 -9.178 18.404 1.00 55.03 H new ATOM 0 HA TYR A 23 5.657 -8.966 16.063 1.00 44.21 H new ATOM 0 HB2 TYR A 23 7.428 -10.072 17.280 1.00 53.34 H new ATOM 0 HB3 TYR A 23 6.555 -9.039 18.394 1.00 53.34 H new ATOM 0 HD1 TYR A 23 4.804 -10.133 19.933 1.00 3.35 H new ATOM 0 HD2 TYR A 23 7.640 -12.401 17.705 1.00 31.44 H new ATOM 0 HE1 TYR A 23 4.442 -12.048 21.426 1.00 11.25 H new ATOM 0 HE2 TYR A 23 7.277 -14.320 19.194 1.00 73.24 H new ATOM 0 HH TYR A 23 6.198 -15.121 20.948 1.00 12.01 H new ATOM 356 N ARG A 24 4.292 -11.909 16.446 1.00 3.22 N ATOM 357 CA ARG A 24 4.017 -13.178 15.783 1.00 3.31 C ATOM 358 C ARG A 24 3.354 -12.950 14.428 1.00 63.43 C ATOM 359 O ARG A 24 3.753 -13.541 13.425 1.00 62.13 O ATOM 360 CB ARG A 24 3.121 -14.052 16.661 1.00 34.52 C ATOM 361 CG ARG A 24 2.767 -15.389 16.029 1.00 15.24 C ATOM 362 CD ARG A 24 1.322 -15.416 15.556 1.00 52.45 C ATOM 363 NE ARG A 24 1.207 -15.107 14.133 1.00 73.34 N ATOM 364 CZ ARG A 24 0.060 -15.143 13.463 1.00 12.24 C ATOM 365 NH1 ARG A 24 -1.064 -15.471 14.085 1.00 34.11 N ATOM 366 NH2 ARG A 24 0.036 -14.849 12.170 1.00 73.14 N ATOM 0 H ARG A 24 3.752 -11.752 17.297 1.00 3.22 H new ATOM 0 HA ARG A 24 4.966 -13.689 15.622 1.00 3.31 H new ATOM 0 HB2 ARG A 24 3.622 -14.231 17.612 1.00 34.52 H new ATOM 0 HB3 ARG A 24 2.202 -13.509 16.882 1.00 34.52 H new ATOM 0 HG2 ARG A 24 3.431 -15.581 15.186 1.00 15.24 H new ATOM 0 HG3 ARG A 24 2.930 -16.189 16.752 1.00 15.24 H new ATOM 0 HD2 ARG A 24 0.896 -16.400 15.749 1.00 52.45 H new ATOM 0 HD3 ARG A 24 0.738 -14.697 16.132 1.00 52.45 H new ATOM 0 HE ARG A 24 2.054 -14.849 13.626 1.00 73.34 H new ATOM 0 HH11 ARG A 24 -1.049 -15.696 15.080 1.00 34.11 H new ATOM 0 HH12 ARG A 24 -1.943 -15.498 13.569 1.00 34.11 H new ATOM 0 HH21 ARG A 24 0.899 -14.595 11.689 1.00 73.14 H new ATOM 0 HH22 ARG A 24 -0.845 -14.877 11.657 1.00 73.14 H new ATOM 380 N GLU A 25 2.340 -12.091 14.407 1.00 22.03 N ATOM 381 CA GLU A 25 1.622 -11.788 13.175 1.00 13.53 C ATOM 382 C GLU A 25 2.450 -10.879 12.272 1.00 3.40 C ATOM 383 O GLU A 25 2.279 -10.874 11.053 1.00 3.04 O ATOM 384 CB GLU A 25 0.280 -11.124 13.492 1.00 74.34 C ATOM 385 CG GLU A 25 -0.745 -12.077 14.085 1.00 52.44 C ATOM 386 CD GLU A 25 -1.981 -11.361 14.594 1.00 51.55 C ATOM 387 OE1 GLU A 25 -2.731 -10.809 13.761 1.00 12.22 O ATOM 388 OE2 GLU A 25 -2.198 -11.351 15.823 1.00 32.51 O ATOM 0 H GLU A 25 1.997 -11.593 15.229 1.00 22.03 H new ATOM 0 HA GLU A 25 1.441 -12.726 12.650 1.00 13.53 H new ATOM 0 HB2 GLU A 25 0.446 -10.303 14.189 1.00 74.34 H new ATOM 0 HB3 GLU A 25 -0.126 -10.690 12.578 1.00 74.34 H new ATOM 0 HG2 GLU A 25 -1.037 -12.806 13.329 1.00 52.44 H new ATOM 0 HG3 GLU A 25 -0.288 -12.632 14.904 1.00 52.44 H new ATOM 395 N ALA A 26 3.348 -10.110 12.880 1.00 42.24 N ATOM 396 CA ALA A 26 4.204 -9.198 12.131 1.00 3.23 C ATOM 397 C ALA A 26 5.173 -9.964 11.237 1.00 42.21 C ATOM 398 O ALA A 26 5.422 -9.573 10.095 1.00 32.05 O ATOM 399 CB ALA A 26 4.968 -8.290 13.084 1.00 51.32 C ATOM 0 H ALA A 26 3.501 -10.101 13.888 1.00 42.24 H new ATOM 0 HA ALA A 26 3.569 -8.585 11.492 1.00 3.23 H new ATOM 0 HB1 ALA A 26 5.603 -7.614 12.512 1.00 51.32 H new ATOM 0 HB2 ALA A 26 4.262 -7.709 13.678 1.00 51.32 H new ATOM 0 HB3 ALA A 26 5.587 -8.896 13.746 1.00 51.32 H new ATOM 405 N LEU A 27 5.718 -11.056 11.762 1.00 43.42 N ATOM 406 CA LEU A 27 6.661 -11.877 11.011 1.00 44.24 C ATOM 407 C LEU A 27 5.984 -12.519 9.804 1.00 12.32 C ATOM 408 O LEU A 27 6.626 -12.790 8.789 1.00 34.12 O ATOM 409 CB LEU A 27 7.256 -12.960 11.912 1.00 34.14 C ATOM 410 CG LEU A 27 8.443 -12.536 12.778 1.00 34.20 C ATOM 411 CD1 LEU A 27 8.895 -13.686 13.664 1.00 32.43 C ATOM 412 CD2 LEU A 27 9.591 -12.049 11.907 1.00 51.44 C ATOM 0 H LEU A 27 5.523 -11.393 12.705 1.00 43.42 H new ATOM 0 HA LEU A 27 7.462 -11.230 10.654 1.00 44.24 H new ATOM 0 HB2 LEU A 27 6.469 -13.332 12.567 1.00 34.14 H new ATOM 0 HB3 LEU A 27 7.569 -13.794 11.285 1.00 34.14 H new ATOM 0 HG LEU A 27 8.125 -11.714 13.419 1.00 34.20 H new ATOM 0 HD11 LEU A 27 9.740 -13.366 14.273 1.00 32.43 H new ATOM 0 HD12 LEU A 27 8.074 -13.989 14.314 1.00 32.43 H new ATOM 0 HD13 LEU A 27 9.195 -14.529 13.041 1.00 32.43 H new ATOM 0 HD21 LEU A 27 10.427 -11.751 12.540 1.00 51.44 H new ATOM 0 HD22 LEU A 27 9.908 -12.851 11.241 1.00 51.44 H new ATOM 0 HD23 LEU A 27 9.262 -11.195 11.315 1.00 51.44 H new ATOM 424 N LYS A 28 4.682 -12.757 9.921 1.00 71.41 N ATOM 425 CA LYS A 28 3.915 -13.364 8.839 1.00 33.05 C ATOM 426 C LYS A 28 4.125 -12.607 7.532 1.00 10.11 C ATOM 427 O LYS A 28 4.352 -13.211 6.483 1.00 10.40 O ATOM 428 CB LYS A 28 2.426 -13.388 9.194 1.00 41.14 C ATOM 429 CG LYS A 28 1.806 -14.772 9.121 1.00 32.51 C ATOM 430 CD LYS A 28 2.486 -15.739 10.076 1.00 11.01 C ATOM 431 CE LYS A 28 3.095 -16.919 9.335 1.00 61.12 C ATOM 432 NZ LYS A 28 3.354 -18.071 10.243 1.00 50.32 N ATOM 0 H LYS A 28 4.136 -12.539 10.754 1.00 71.41 H new ATOM 0 HA LYS A 28 4.267 -14.387 8.706 1.00 33.05 H new ATOM 0 HB2 LYS A 28 2.295 -12.993 10.201 1.00 41.14 H new ATOM 0 HB3 LYS A 28 1.889 -12.722 8.518 1.00 41.14 H new ATOM 0 HG2 LYS A 28 0.744 -14.709 9.360 1.00 32.51 H new ATOM 0 HG3 LYS A 28 1.881 -15.152 8.102 1.00 32.51 H new ATOM 0 HD2 LYS A 28 3.264 -15.216 10.632 1.00 11.01 H new ATOM 0 HD3 LYS A 28 1.762 -16.101 10.806 1.00 11.01 H new ATOM 0 HE2 LYS A 28 2.424 -17.231 8.535 1.00 61.12 H new ATOM 0 HE3 LYS A 28 4.029 -16.610 8.865 1.00 61.12 H new ATOM 0 HZ1 LYS A 28 3.769 -18.855 9.700 1.00 50.32 H new ATOM 0 HZ2 LYS A 28 4.015 -17.781 10.992 1.00 50.32 H new ATOM 0 HZ3 LYS A 28 2.459 -18.383 10.672 1.00 50.32 H new ATOM 446 N HIS A 29 4.049 -11.282 7.602 1.00 4.42 N ATOM 447 CA HIS A 29 4.234 -10.442 6.424 1.00 53.02 C ATOM 448 C HIS A 29 5.621 -10.647 5.822 1.00 13.12 C ATOM 449 O HIS A 29 5.827 -10.438 4.627 1.00 41.14 O ATOM 450 CB HIS A 29 4.034 -8.970 6.784 1.00 12.43 C ATOM 451 CG HIS A 29 2.850 -8.344 6.113 1.00 31.13 C ATOM 452 ND1 HIS A 29 2.961 -7.356 5.158 1.00 4.21 N ATOM 453 CD2 HIS A 29 1.524 -8.573 6.263 1.00 42.31 C ATOM 454 CE1 HIS A 29 1.755 -7.002 4.751 1.00 65.44 C ATOM 455 NE2 HIS A 29 0.866 -7.726 5.405 1.00 34.33 N ATOM 0 H HIS A 29 3.861 -10.767 8.462 1.00 4.42 H new ATOM 0 HA HIS A 29 3.489 -10.731 5.682 1.00 53.02 H new ATOM 0 HB2 HIS A 29 3.918 -8.881 7.864 1.00 12.43 H new ATOM 0 HB3 HIS A 29 4.931 -8.413 6.513 1.00 12.43 H new ATOM 0 HD2 HIS A 29 1.069 -9.288 6.932 1.00 42.31 H new ATOM 0 HE1 HIS A 29 1.534 -6.249 4.009 1.00 65.44 H new ATOM 0 HE2 HIS A 29 -0.146 -7.666 5.292 1.00 34.33 H new ATOM 463 N PHE A 30 6.569 -11.056 6.659 1.00 74.21 N ATOM 464 CA PHE A 30 7.937 -11.288 6.210 1.00 13.50 C ATOM 465 C PHE A 30 8.049 -12.617 5.470 1.00 74.04 C ATOM 466 O PHE A 30 8.721 -12.714 4.442 1.00 3.02 O ATOM 467 CB PHE A 30 8.896 -11.272 7.402 1.00 64.14 C ATOM 468 CG PHE A 30 10.315 -10.953 7.025 1.00 71.33 C ATOM 469 CD1 PHE A 30 10.762 -9.642 7.004 1.00 41.03 C ATOM 470 CD2 PHE A 30 11.201 -11.965 6.692 1.00 44.21 C ATOM 471 CE1 PHE A 30 12.067 -9.346 6.656 1.00 33.04 C ATOM 472 CE2 PHE A 30 12.507 -11.675 6.344 1.00 4.12 C ATOM 473 CZ PHE A 30 12.941 -10.364 6.328 1.00 53.35 C ATOM 0 H PHE A 30 6.415 -11.234 7.652 1.00 74.21 H new ATOM 0 HA PHE A 30 8.209 -10.487 5.523 1.00 13.50 H new ATOM 0 HB2 PHE A 30 8.548 -10.538 8.129 1.00 64.14 H new ATOM 0 HB3 PHE A 30 8.869 -12.245 7.893 1.00 64.14 H new ATOM 0 HD1 PHE A 30 10.084 -8.842 7.262 1.00 41.03 H new ATOM 0 HD2 PHE A 30 10.867 -12.992 6.704 1.00 44.21 H new ATOM 0 HE1 PHE A 30 12.403 -8.320 6.641 1.00 33.04 H new ATOM 0 HE2 PHE A 30 13.187 -12.473 6.085 1.00 4.12 H new ATOM 0 HZ PHE A 30 13.962 -10.135 6.060 1.00 53.35 H new ATOM 483 N LEU A 31 7.386 -13.639 5.999 1.00 73.44 N ATOM 484 CA LEU A 31 7.410 -14.965 5.389 1.00 1.33 C ATOM 485 C LEU A 31 6.823 -14.928 3.982 1.00 42.21 C ATOM 486 O LEU A 31 7.227 -15.697 3.110 1.00 70.32 O ATOM 487 CB LEU A 31 6.632 -15.959 6.253 1.00 60.02 C ATOM 488 CG LEU A 31 7.469 -16.999 6.999 1.00 40.32 C ATOM 489 CD1 LEU A 31 8.239 -16.347 8.137 1.00 31.21 C ATOM 490 CD2 LEU A 31 6.583 -18.119 7.524 1.00 24.21 C ATOM 0 H LEU A 31 6.825 -13.576 6.849 1.00 73.44 H new ATOM 0 HA LEU A 31 8.449 -15.288 5.320 1.00 1.33 H new ATOM 0 HB2 LEU A 31 6.051 -15.397 6.984 1.00 60.02 H new ATOM 0 HB3 LEU A 31 5.920 -16.484 5.616 1.00 60.02 H new ATOM 0 HG LEU A 31 8.188 -17.429 6.301 1.00 40.32 H new ATOM 0 HD11 LEU A 31 8.829 -17.102 8.657 1.00 31.21 H new ATOM 0 HD12 LEU A 31 8.902 -15.581 7.735 1.00 31.21 H new ATOM 0 HD13 LEU A 31 7.538 -15.890 8.836 1.00 31.21 H new ATOM 0 HD21 LEU A 31 7.195 -18.850 8.052 1.00 24.21 H new ATOM 0 HD22 LEU A 31 5.841 -17.706 8.207 1.00 24.21 H new ATOM 0 HD23 LEU A 31 6.077 -18.604 6.689 1.00 24.21 H new ATOM 502 N ASP A 32 5.870 -14.027 3.767 1.00 23.54 N ATOM 503 CA ASP A 32 5.230 -13.888 2.465 1.00 52.43 C ATOM 504 C ASP A 32 6.190 -13.275 1.450 1.00 62.20 C ATOM 505 O ASP A 32 6.082 -13.523 0.250 1.00 41.32 O ATOM 506 CB ASP A 32 3.972 -13.024 2.581 1.00 65.51 C ATOM 507 CG ASP A 32 2.707 -13.800 2.272 1.00 62.25 C ATOM 508 OD1 ASP A 32 2.261 -14.577 3.141 1.00 73.31 O ATOM 509 OD2 ASP A 32 2.164 -13.631 1.160 1.00 51.23 O ATOM 0 H ASP A 32 5.524 -13.382 4.478 1.00 23.54 H new ATOM 0 HA ASP A 32 4.949 -14.882 2.118 1.00 52.43 H new ATOM 0 HB2 ASP A 32 3.907 -12.615 3.589 1.00 65.51 H new ATOM 0 HB3 ASP A 32 4.052 -12.178 1.899 1.00 65.51 H new ATOM 514 N GLY A 33 7.130 -12.473 1.941 1.00 10.12 N ATOM 515 CA GLY A 33 8.095 -11.836 1.064 1.00 71.52 C ATOM 516 C GLY A 33 9.190 -12.786 0.621 1.00 43.01 C ATOM 517 O GLY A 33 9.555 -12.820 -0.554 1.00 11.34 O ATOM 0 H GLY A 33 7.240 -12.253 2.931 1.00 10.12 H new ATOM 0 HA2 GLY A 33 7.581 -11.444 0.186 1.00 71.52 H new ATOM 0 HA3 GLY A 33 8.542 -10.985 1.578 1.00 71.52 H new ATOM 521 N GLY A 34 9.719 -13.559 1.565 1.00 74.53 N ATOM 522 CA GLY A 34 10.775 -14.502 1.246 1.00 20.00 C ATOM 523 C GLY A 34 10.376 -15.472 0.151 1.00 1.34 C ATOM 524 O GLY A 34 11.225 -15.955 -0.597 1.00 54.13 O ATOM 0 H GLY A 34 9.435 -13.549 2.545 1.00 74.53 H new ATOM 0 HA2 GLY A 34 11.665 -13.955 0.935 1.00 20.00 H new ATOM 0 HA3 GLY A 34 11.042 -15.061 2.143 1.00 20.00 H new ATOM 528 N GLU A 35 9.081 -15.758 0.059 1.00 21.05 N ATOM 529 CA GLU A 35 8.573 -16.679 -0.950 1.00 51.15 C ATOM 530 C GLU A 35 8.491 -15.999 -2.314 1.00 71.44 C ATOM 531 O GLU A 35 8.392 -16.664 -3.345 1.00 53.24 O ATOM 532 CB GLU A 35 7.194 -17.204 -0.546 1.00 53.22 C ATOM 533 CG GLU A 35 7.200 -17.998 0.749 1.00 65.41 C ATOM 534 CD GLU A 35 7.133 -19.495 0.515 1.00 34.23 C ATOM 535 OE1 GLU A 35 7.521 -19.943 -0.583 1.00 64.05 O ATOM 536 OE2 GLU A 35 6.691 -20.219 1.432 1.00 14.45 O ATOM 0 H GLU A 35 8.365 -15.365 0.671 1.00 21.05 H new ATOM 0 HA GLU A 35 9.266 -17.518 -1.022 1.00 51.15 H new ATOM 0 HB2 GLU A 35 6.510 -16.362 -0.443 1.00 53.22 H new ATOM 0 HB3 GLU A 35 6.806 -17.834 -1.346 1.00 53.22 H new ATOM 0 HG2 GLU A 35 8.103 -17.762 1.312 1.00 65.41 H new ATOM 0 HG3 GLU A 35 6.353 -17.692 1.363 1.00 65.41 H new ATOM 543 N MET A 36 8.532 -14.671 -2.310 1.00 64.04 N ATOM 544 CA MET A 36 8.463 -13.901 -3.547 1.00 64.10 C ATOM 545 C MET A 36 9.761 -14.028 -4.339 1.00 53.53 C ATOM 546 O MET A 36 9.741 -14.137 -5.566 1.00 5.04 O ATOM 547 CB MET A 36 8.180 -12.429 -3.241 1.00 63.02 C ATOM 548 CG MET A 36 6.881 -12.204 -2.485 1.00 73.35 C ATOM 549 SD MET A 36 5.504 -11.798 -3.577 1.00 30.42 S ATOM 550 CE MET A 36 4.733 -10.463 -2.666 1.00 53.42 C ATOM 0 H MET A 36 8.613 -14.106 -1.465 1.00 64.04 H new ATOM 0 HA MET A 36 7.649 -14.302 -4.151 1.00 64.10 H new ATOM 0 HB2 MET A 36 9.006 -12.023 -2.657 1.00 63.02 H new ATOM 0 HB3 MET A 36 8.147 -11.872 -4.177 1.00 63.02 H new ATOM 0 HG2 MET A 36 6.636 -13.101 -1.916 1.00 73.35 H new ATOM 0 HG3 MET A 36 7.019 -11.397 -1.765 1.00 73.35 H new ATOM 0 HE1 MET A 36 3.863 -10.103 -3.215 1.00 53.42 H new ATOM 0 HE2 MET A 36 4.421 -10.824 -1.686 1.00 53.42 H new ATOM 0 HE3 MET A 36 5.446 -9.648 -2.542 1.00 53.42 H new ATOM 560 N ILE A 37 10.885 -14.011 -3.631 1.00 60.44 N ATOM 561 CA ILE A 37 12.191 -14.125 -4.269 1.00 74.14 C ATOM 562 C ILE A 37 12.508 -15.575 -4.618 1.00 31.44 C ATOM 563 O ILE A 37 13.276 -15.850 -5.540 1.00 33.22 O ATOM 564 CB ILE A 37 13.308 -13.569 -3.367 1.00 64.25 C ATOM 565 CG1 ILE A 37 14.559 -13.268 -4.195 1.00 42.45 C ATOM 566 CG2 ILE A 37 13.629 -14.554 -2.253 1.00 71.22 C ATOM 567 CD1 ILE A 37 15.505 -12.294 -3.528 1.00 63.12 C ATOM 0 H ILE A 37 10.918 -13.919 -2.616 1.00 60.44 H new ATOM 0 HA ILE A 37 12.148 -13.535 -5.185 1.00 74.14 H new ATOM 0 HB ILE A 37 12.961 -12.640 -2.915 1.00 64.25 H new ATOM 0 HG12 ILE A 37 15.089 -14.200 -4.390 1.00 42.45 H new ATOM 0 HG13 ILE A 37 14.257 -12.865 -5.161 1.00 42.45 H new ATOM 0 HG21 ILE A 37 14.420 -14.147 -1.624 1.00 71.22 H new ATOM 0 HG22 ILE A 37 12.737 -14.724 -1.650 1.00 71.22 H new ATOM 0 HG23 ILE A 37 13.960 -15.498 -2.686 1.00 71.22 H new ATOM 0 HD11 ILE A 37 16.369 -12.127 -4.171 1.00 63.12 H new ATOM 0 HD12 ILE A 37 14.992 -11.348 -3.357 1.00 63.12 H new ATOM 0 HD13 ILE A 37 15.837 -12.704 -2.574 1.00 63.12 H new ATOM 579 N VAL A 38 11.910 -16.501 -3.874 1.00 71.24 N ATOM 580 CA VAL A 38 12.126 -17.924 -4.106 1.00 30.41 C ATOM 581 C VAL A 38 11.432 -18.385 -5.383 1.00 43.10 C ATOM 582 O VAL A 38 12.045 -19.019 -6.242 1.00 63.42 O ATOM 583 CB VAL A 38 11.615 -18.769 -2.924 1.00 32.31 C ATOM 584 CG1 VAL A 38 11.762 -20.253 -3.225 1.00 34.00 C ATOM 585 CG2 VAL A 38 12.354 -18.400 -1.647 1.00 23.33 C ATOM 0 H VAL A 38 11.273 -16.291 -3.106 1.00 71.24 H new ATOM 0 HA VAL A 38 13.202 -18.068 -4.208 1.00 30.41 H new ATOM 0 HB VAL A 38 10.556 -18.556 -2.779 1.00 32.31 H new ATOM 0 HG11 VAL A 38 11.396 -20.834 -2.379 1.00 34.00 H new ATOM 0 HG12 VAL A 38 11.183 -20.503 -4.114 1.00 34.00 H new ATOM 0 HG13 VAL A 38 12.812 -20.487 -3.398 1.00 34.00 H new ATOM 0 HG21 VAL A 38 11.980 -19.007 -0.822 1.00 23.33 H new ATOM 0 HG22 VAL A 38 13.421 -18.583 -1.778 1.00 23.33 H new ATOM 0 HG23 VAL A 38 12.192 -17.345 -1.424 1.00 23.33 H new ATOM 595 N THR A 39 10.149 -18.061 -5.503 1.00 15.23 N ATOM 596 CA THR A 39 9.370 -18.441 -6.675 1.00 22.34 C ATOM 597 C THR A 39 10.078 -18.032 -7.961 1.00 70.42 C ATOM 598 O THR A 39 9.932 -18.684 -8.995 1.00 55.51 O ATOM 599 CB THR A 39 7.968 -17.804 -6.649 1.00 31.43 C ATOM 600 OG1 THR A 39 7.253 -18.146 -7.841 1.00 75.11 O ATOM 601 CG2 THR A 39 8.063 -16.291 -6.524 1.00 61.24 C ATOM 0 H THR A 39 9.626 -17.536 -4.802 1.00 15.23 H new ATOM 0 HA THR A 39 9.268 -19.526 -6.649 1.00 22.34 H new ATOM 0 HB THR A 39 7.433 -18.191 -5.782 1.00 31.43 H new ATOM 0 HG1 THR A 39 6.362 -17.739 -7.816 1.00 75.11 H new ATOM 0 HG21 THR A 39 7.060 -15.864 -6.508 1.00 61.24 H new ATOM 0 HG22 THR A 39 8.582 -16.034 -5.601 1.00 61.24 H new ATOM 0 HG23 THR A 39 8.615 -15.890 -7.374 1.00 61.24 H new ATOM 609 N ALA A 40 10.846 -16.950 -7.890 1.00 62.33 N ATOM 610 CA ALA A 40 11.579 -16.456 -9.049 1.00 61.44 C ATOM 611 C ALA A 40 12.779 -17.345 -9.360 1.00 31.13 C ATOM 612 O ALA A 40 13.022 -17.694 -10.514 1.00 63.52 O ATOM 613 CB ALA A 40 12.029 -15.021 -8.817 1.00 73.54 C ATOM 0 H ALA A 40 10.977 -16.399 -7.042 1.00 62.33 H new ATOM 0 HA ALA A 40 10.909 -16.481 -9.909 1.00 61.44 H new ATOM 0 HB1 ALA A 40 12.575 -14.665 -9.691 1.00 73.54 H new ATOM 0 HB2 ALA A 40 11.157 -14.388 -8.652 1.00 73.54 H new ATOM 0 HB3 ALA A 40 12.678 -14.980 -7.942 1.00 73.54 H new ATOM 619 N ALA A 41 13.526 -17.707 -8.322 1.00 11.54 N ATOM 620 CA ALA A 41 14.700 -18.555 -8.484 1.00 34.52 C ATOM 621 C ALA A 41 14.300 -19.977 -8.865 1.00 25.13 C ATOM 622 O ALA A 41 15.035 -20.670 -9.569 1.00 13.54 O ATOM 623 CB ALA A 41 15.527 -18.562 -7.207 1.00 10.31 C ATOM 0 H ALA A 41 13.339 -17.426 -7.360 1.00 11.54 H new ATOM 0 HA ALA A 41 15.305 -18.145 -9.293 1.00 34.52 H new ATOM 0 HB1 ALA A 41 16.401 -19.200 -7.343 1.00 10.31 H new ATOM 0 HB2 ALA A 41 15.851 -17.547 -6.978 1.00 10.31 H new ATOM 0 HB3 ALA A 41 14.923 -18.945 -6.384 1.00 10.31 H new ATOM 629 N GLU A 42 13.133 -20.405 -8.394 1.00 63.50 N ATOM 630 CA GLU A 42 12.639 -21.746 -8.685 1.00 53.01 C ATOM 631 C GLU A 42 12.099 -21.829 -10.110 1.00 34.21 C ATOM 632 O GLU A 42 12.210 -22.863 -10.769 1.00 41.12 O ATOM 633 CB GLU A 42 11.545 -22.137 -7.690 1.00 35.25 C ATOM 634 CG GLU A 42 12.050 -22.314 -6.268 1.00 2.13 C ATOM 635 CD GLU A 42 11.810 -23.712 -5.732 1.00 72.15 C ATOM 636 OE1 GLU A 42 12.657 -24.596 -5.979 1.00 34.14 O ATOM 637 OE2 GLU A 42 10.774 -23.922 -5.067 1.00 10.11 O ATOM 0 H GLU A 42 12.513 -19.844 -7.810 1.00 63.50 H new ATOM 0 HA GLU A 42 13.473 -22.442 -8.589 1.00 53.01 H new ATOM 0 HB2 GLU A 42 10.768 -21.372 -7.698 1.00 35.25 H new ATOM 0 HB3 GLU A 42 11.081 -23.066 -8.020 1.00 35.25 H new ATOM 0 HG2 GLU A 42 13.117 -22.095 -6.236 1.00 2.13 H new ATOM 0 HG3 GLU A 42 11.557 -21.591 -5.619 1.00 2.13 H new ATOM 644 N LYS A 43 11.512 -20.733 -10.579 1.00 21.12 N ATOM 645 CA LYS A 43 10.954 -20.679 -11.925 1.00 24.30 C ATOM 646 C LYS A 43 12.024 -20.295 -12.942 1.00 41.40 C ATOM 647 O LYS A 43 11.909 -20.610 -14.126 1.00 21.02 O ATOM 648 CB LYS A 43 9.799 -19.678 -11.981 1.00 13.21 C ATOM 649 CG LYS A 43 8.818 -19.943 -13.110 1.00 31.22 C ATOM 650 CD LYS A 43 8.565 -18.692 -13.934 1.00 74.12 C ATOM 651 CE LYS A 43 7.143 -18.658 -14.473 1.00 72.12 C ATOM 652 NZ LYS A 43 6.745 -17.289 -14.902 1.00 13.31 N ATOM 0 H LYS A 43 11.410 -19.869 -10.046 1.00 21.12 H new ATOM 0 HA LYS A 43 10.579 -21.671 -12.176 1.00 24.30 H new ATOM 0 HB2 LYS A 43 9.263 -19.701 -11.032 1.00 13.21 H new ATOM 0 HB3 LYS A 43 10.206 -18.673 -12.093 1.00 13.21 H new ATOM 0 HG2 LYS A 43 9.208 -20.731 -13.754 1.00 31.22 H new ATOM 0 HG3 LYS A 43 7.876 -20.305 -12.697 1.00 31.22 H new ATOM 0 HD2 LYS A 43 8.744 -17.809 -13.321 1.00 74.12 H new ATOM 0 HD3 LYS A 43 9.271 -18.653 -14.764 1.00 74.12 H new ATOM 0 HE2 LYS A 43 7.058 -19.342 -15.317 1.00 72.12 H new ATOM 0 HE3 LYS A 43 6.455 -19.012 -13.705 1.00 72.12 H new ATOM 0 HZ1 LYS A 43 5.770 -17.308 -15.263 1.00 13.31 H new ATOM 0 HZ2 LYS A 43 6.801 -16.641 -14.091 1.00 13.31 H new ATOM 0 HZ3 LYS A 43 7.386 -16.960 -15.653 1.00 13.31 H new ATOM 666 N GLU A 44 13.064 -19.613 -12.472 1.00 11.15 N ATOM 667 CA GLU A 44 14.154 -19.187 -13.341 1.00 52.54 C ATOM 668 C GLU A 44 15.198 -20.290 -13.485 1.00 44.42 C ATOM 669 O GLU A 44 15.032 -21.389 -12.959 1.00 34.41 O ATOM 670 CB GLU A 44 14.808 -17.918 -12.791 1.00 44.43 C ATOM 671 CG GLU A 44 13.997 -16.657 -13.040 1.00 31.33 C ATOM 672 CD GLU A 44 13.856 -16.336 -14.515 1.00 13.42 C ATOM 673 OE1 GLU A 44 14.696 -16.808 -15.309 1.00 1.54 O ATOM 674 OE2 GLU A 44 12.904 -15.612 -14.875 1.00 52.30 O ATOM 0 H GLU A 44 13.174 -19.344 -11.494 1.00 11.15 H new ATOM 0 HA GLU A 44 13.738 -18.975 -14.326 1.00 52.54 H new ATOM 0 HB2 GLU A 44 14.962 -18.035 -11.718 1.00 44.43 H new ATOM 0 HB3 GLU A 44 15.793 -17.802 -13.244 1.00 44.43 H new ATOM 0 HG2 GLU A 44 13.006 -16.774 -12.601 1.00 31.33 H new ATOM 0 HG3 GLU A 44 14.473 -15.817 -12.533 1.00 31.33 H new ATOM 681 N ALA A 45 16.275 -19.987 -14.202 1.00 44.54 N ATOM 682 CA ALA A 45 17.348 -20.951 -14.415 1.00 11.42 C ATOM 683 C ALA A 45 18.488 -20.335 -15.218 1.00 43.14 C ATOM 684 O ALA A 45 18.270 -19.454 -16.050 1.00 14.34 O ATOM 685 CB ALA A 45 16.813 -22.189 -15.118 1.00 74.02 C ATOM 0 H ALA A 45 16.428 -19.081 -14.645 1.00 44.54 H new ATOM 0 HA ALA A 45 17.741 -21.241 -13.441 1.00 11.42 H new ATOM 0 HB1 ALA A 45 17.625 -22.900 -15.271 1.00 74.02 H new ATOM 0 HB2 ALA A 45 16.038 -22.649 -14.505 1.00 74.02 H new ATOM 0 HB3 ALA A 45 16.392 -21.906 -16.083 1.00 74.02 H new ATOM 691 N SER A 46 19.706 -20.804 -14.964 1.00 72.03 N ATOM 692 CA SER A 46 20.882 -20.296 -15.661 1.00 54.12 C ATOM 693 C SER A 46 21.104 -18.820 -15.346 1.00 51.34 C ATOM 694 O SER A 46 21.671 -18.082 -16.152 1.00 0.25 O ATOM 695 CB SER A 46 20.729 -20.490 -17.171 1.00 41.21 C ATOM 696 OG SER A 46 21.950 -20.906 -17.758 1.00 2.43 O ATOM 0 H SER A 46 19.904 -21.535 -14.281 1.00 72.03 H new ATOM 0 HA SER A 46 21.750 -20.858 -15.316 1.00 54.12 H new ATOM 0 HB2 SER A 46 19.955 -21.232 -17.369 1.00 41.21 H new ATOM 0 HB3 SER A 46 20.401 -19.557 -17.629 1.00 41.21 H new ATOM 0 HG SER A 46 21.825 -21.024 -18.723 1.00 2.43 H new ATOM 702 N GLN A 47 20.653 -18.398 -14.170 1.00 15.43 N ATOM 703 CA GLN A 47 20.801 -17.010 -13.748 1.00 42.44 C ATOM 704 C GLN A 47 21.839 -16.886 -12.637 1.00 72.25 C ATOM 705 O GLN A 47 21.897 -17.718 -11.732 1.00 32.31 O ATOM 706 CB GLN A 47 19.458 -16.452 -13.272 1.00 65.45 C ATOM 707 CG GLN A 47 19.271 -14.975 -13.577 1.00 13.11 C ATOM 708 CD GLN A 47 18.988 -14.712 -15.043 1.00 34.41 C ATOM 709 OE1 GLN A 47 19.861 -14.878 -15.895 1.00 11.10 O ATOM 710 NE2 GLN A 47 17.762 -14.301 -15.345 1.00 12.21 N ATOM 0 H GLN A 47 20.182 -18.997 -13.492 1.00 15.43 H new ATOM 0 HA GLN A 47 21.143 -16.431 -14.606 1.00 42.44 H new ATOM 0 HB2 GLN A 47 18.652 -17.016 -13.742 1.00 65.45 H new ATOM 0 HB3 GLN A 47 19.370 -16.606 -12.197 1.00 65.45 H new ATOM 0 HG2 GLN A 47 18.449 -14.585 -12.977 1.00 13.11 H new ATOM 0 HG3 GLN A 47 20.168 -14.431 -13.281 1.00 13.11 H new ATOM 0 HE21 GLN A 47 17.069 -14.177 -14.607 1.00 12.21 H new ATOM 0 HE22 GLN A 47 17.513 -14.110 -16.315 1.00 12.21 H new ATOM 719 N LYS A 48 22.658 -15.843 -12.713 1.00 13.51 N ATOM 720 CA LYS A 48 23.694 -15.608 -11.714 1.00 34.41 C ATOM 721 C LYS A 48 23.088 -15.090 -10.414 1.00 0.45 C ATOM 722 O LYS A 48 23.582 -15.385 -9.325 1.00 62.45 O ATOM 723 CB LYS A 48 24.725 -14.609 -12.243 1.00 72.00 C ATOM 724 CG LYS A 48 25.440 -15.080 -13.497 1.00 41.15 C ATOM 725 CD LYS A 48 26.849 -15.559 -13.190 1.00 33.15 C ATOM 726 CE LYS A 48 27.733 -15.523 -14.427 1.00 12.53 C ATOM 727 NZ LYS A 48 27.959 -16.883 -14.987 1.00 72.54 N ATOM 0 H LYS A 48 22.624 -15.146 -13.457 1.00 13.51 H new ATOM 0 HA LYS A 48 24.189 -16.557 -11.510 1.00 34.41 H new ATOM 0 HB2 LYS A 48 24.227 -13.662 -12.453 1.00 72.00 H new ATOM 0 HB3 LYS A 48 25.463 -14.415 -11.465 1.00 72.00 H new ATOM 0 HG2 LYS A 48 24.873 -15.888 -13.958 1.00 41.15 H new ATOM 0 HG3 LYS A 48 25.481 -14.266 -14.221 1.00 41.15 H new ATOM 0 HD2 LYS A 48 27.285 -14.933 -12.412 1.00 33.15 H new ATOM 0 HD3 LYS A 48 26.811 -16.575 -12.798 1.00 33.15 H new ATOM 0 HE2 LYS A 48 27.271 -14.890 -15.185 1.00 12.53 H new ATOM 0 HE3 LYS A 48 28.692 -15.070 -14.175 1.00 12.53 H new ATOM 0 HZ1 LYS A 48 28.566 -16.815 -15.829 1.00 72.54 H new ATOM 0 HZ2 LYS A 48 28.423 -17.480 -14.273 1.00 72.54 H new ATOM 0 HZ3 LYS A 48 27.046 -17.306 -15.251 1.00 72.54 H new ATOM 741 N VAL A 49 22.014 -14.315 -10.534 1.00 22.35 N ATOM 742 CA VAL A 49 21.340 -13.758 -9.367 1.00 54.35 C ATOM 743 C VAL A 49 20.472 -14.806 -8.681 1.00 22.44 C ATOM 744 O VAL A 49 20.363 -14.830 -7.455 1.00 21.44 O ATOM 745 CB VAL A 49 20.461 -12.552 -9.750 1.00 44.35 C ATOM 746 CG1 VAL A 49 21.318 -11.417 -10.291 1.00 23.10 C ATOM 747 CG2 VAL A 49 19.405 -12.963 -10.765 1.00 63.21 C ATOM 0 H VAL A 49 21.593 -14.059 -11.427 1.00 22.35 H new ATOM 0 HA VAL A 49 22.119 -13.428 -8.679 1.00 54.35 H new ATOM 0 HB VAL A 49 19.952 -12.197 -8.854 1.00 44.35 H new ATOM 0 HG11 VAL A 49 20.680 -10.574 -10.556 1.00 23.10 H new ATOM 0 HG12 VAL A 49 22.033 -11.106 -9.529 1.00 23.10 H new ATOM 0 HG13 VAL A 49 21.856 -11.757 -11.176 1.00 23.10 H new ATOM 0 HG21 VAL A 49 18.793 -12.099 -11.024 1.00 63.21 H new ATOM 0 HG22 VAL A 49 19.892 -13.345 -11.662 1.00 63.21 H new ATOM 0 HG23 VAL A 49 18.772 -13.740 -10.337 1.00 63.21 H new ATOM 757 N ARG A 50 19.857 -15.673 -9.479 1.00 50.41 N ATOM 758 CA ARG A 50 18.998 -16.724 -8.948 1.00 60.21 C ATOM 759 C ARG A 50 19.639 -17.387 -7.732 1.00 73.54 C ATOM 760 O ARG A 50 18.967 -17.670 -6.741 1.00 71.24 O ATOM 761 CB ARG A 50 18.715 -17.773 -10.025 1.00 22.40 C ATOM 762 CG ARG A 50 17.946 -18.980 -9.512 1.00 62.15 C ATOM 763 CD ARG A 50 18.713 -20.271 -9.750 1.00 24.44 C ATOM 764 NE ARG A 50 19.436 -20.706 -8.557 1.00 0.40 N ATOM 765 CZ ARG A 50 19.871 -21.947 -8.372 1.00 71.14 C ATOM 766 NH1 ARG A 50 19.658 -22.872 -9.298 1.00 72.10 N ATOM 767 NH2 ARG A 50 20.521 -22.265 -7.260 1.00 70.23 N ATOM 0 H ARG A 50 19.938 -15.668 -10.496 1.00 50.41 H new ATOM 0 HA ARG A 50 18.057 -16.269 -8.638 1.00 60.21 H new ATOM 0 HB2 ARG A 50 18.149 -17.309 -10.833 1.00 22.40 H new ATOM 0 HB3 ARG A 50 19.661 -18.109 -10.450 1.00 22.40 H new ATOM 0 HG2 ARG A 50 17.751 -18.862 -8.446 1.00 62.15 H new ATOM 0 HG3 ARG A 50 16.977 -19.034 -10.009 1.00 62.15 H new ATOM 0 HD2 ARG A 50 18.019 -21.053 -10.059 1.00 24.44 H new ATOM 0 HD3 ARG A 50 19.418 -20.128 -10.569 1.00 24.44 H new ATOM 0 HE ARG A 50 19.617 -20.018 -7.826 1.00 0.40 H new ATOM 0 HH11 ARG A 50 19.159 -22.631 -10.154 1.00 72.10 H new ATOM 0 HH12 ARG A 50 19.993 -23.825 -9.154 1.00 72.10 H new ATOM 0 HH21 ARG A 50 20.687 -21.556 -6.546 1.00 70.23 H new ATOM 0 HH22 ARG A 50 20.855 -23.219 -7.119 1.00 70.23 H new ATOM 781 N ASN A 51 20.942 -17.633 -7.817 1.00 62.10 N ATOM 782 CA ASN A 51 21.674 -18.264 -6.724 1.00 75.14 C ATOM 783 C ASN A 51 21.606 -17.412 -5.461 1.00 2.41 C ATOM 784 O ASN A 51 21.318 -17.914 -4.374 1.00 74.41 O ATOM 785 CB ASN A 51 23.133 -18.490 -7.123 1.00 42.05 C ATOM 786 CG ASN A 51 23.957 -19.079 -5.995 1.00 34.44 C ATOM 787 OD1 ASN A 51 24.082 -20.298 -5.874 1.00 30.14 O ATOM 788 ND2 ASN A 51 24.523 -18.214 -5.161 1.00 74.21 N ATOM 0 H ASN A 51 21.513 -17.405 -8.631 1.00 62.10 H new ATOM 0 HA ASN A 51 21.208 -19.227 -6.516 1.00 75.14 H new ATOM 0 HB2 ASN A 51 23.172 -19.157 -7.984 1.00 42.05 H new ATOM 0 HB3 ASN A 51 23.573 -17.542 -7.434 1.00 42.05 H new ATOM 0 HD21 ASN A 51 25.088 -18.552 -4.382 1.00 74.21 H new ATOM 0 HD22 ASN A 51 24.392 -17.212 -5.300 1.00 74.21 H new ATOM 795 N LEU A 52 21.874 -16.119 -5.611 1.00 73.11 N ATOM 796 CA LEU A 52 21.843 -15.195 -4.483 1.00 31.25 C ATOM 797 C LEU A 52 20.414 -14.978 -3.995 1.00 70.40 C ATOM 798 O LEU A 52 20.178 -14.768 -2.805 1.00 11.04 O ATOM 799 CB LEU A 52 22.468 -13.856 -4.877 1.00 60.12 C ATOM 800 CG LEU A 52 22.720 -12.871 -3.736 1.00 11.55 C ATOM 801 CD1 LEU A 52 21.422 -12.199 -3.314 1.00 21.33 C ATOM 802 CD2 LEU A 52 23.366 -13.578 -2.553 1.00 14.10 C ATOM 0 H LEU A 52 22.115 -15.687 -6.503 1.00 73.11 H new ATOM 0 HA LEU A 52 22.422 -15.634 -3.671 1.00 31.25 H new ATOM 0 HB2 LEU A 52 23.417 -14.054 -5.376 1.00 60.12 H new ATOM 0 HB3 LEU A 52 21.818 -13.375 -5.608 1.00 60.12 H new ATOM 0 HG LEU A 52 23.405 -12.101 -4.091 1.00 11.55 H new ATOM 0 HD11 LEU A 52 21.621 -11.501 -2.501 1.00 21.33 H new ATOM 0 HD12 LEU A 52 21.000 -11.658 -4.161 1.00 21.33 H new ATOM 0 HD13 LEU A 52 20.713 -12.956 -2.977 1.00 21.33 H new ATOM 0 HD21 LEU A 52 23.538 -12.861 -1.750 1.00 14.10 H new ATOM 0 HD22 LEU A 52 22.706 -14.369 -2.197 1.00 14.10 H new ATOM 0 HD23 LEU A 52 24.317 -14.011 -2.863 1.00 14.10 H new ATOM 814 N LEU A 53 19.464 -15.033 -4.922 1.00 33.13 N ATOM 815 CA LEU A 53 18.056 -14.845 -4.586 1.00 64.15 C ATOM 816 C LEU A 53 17.612 -15.843 -3.522 1.00 2.13 C ATOM 817 O LEU A 53 16.881 -15.493 -2.594 1.00 71.13 O ATOM 818 CB LEU A 53 17.189 -14.997 -5.837 1.00 42.24 C ATOM 819 CG LEU A 53 16.961 -13.725 -6.654 1.00 41.54 C ATOM 820 CD1 LEU A 53 18.107 -12.746 -6.449 1.00 40.04 C ATOM 821 CD2 LEU A 53 16.801 -14.060 -8.130 1.00 42.11 C ATOM 0 H LEU A 53 19.642 -15.206 -5.911 1.00 33.13 H new ATOM 0 HA LEU A 53 17.934 -13.838 -4.186 1.00 64.15 H new ATOM 0 HB2 LEU A 53 17.649 -15.743 -6.485 1.00 42.24 H new ATOM 0 HB3 LEU A 53 16.218 -15.391 -5.536 1.00 42.24 H new ATOM 0 HG LEU A 53 16.041 -13.254 -6.307 1.00 41.54 H new ATOM 0 HD11 LEU A 53 17.927 -11.847 -7.038 1.00 40.04 H new ATOM 0 HD12 LEU A 53 18.175 -12.481 -5.394 1.00 40.04 H new ATOM 0 HD13 LEU A 53 19.041 -13.208 -6.768 1.00 40.04 H new ATOM 0 HD21 LEU A 53 16.640 -13.143 -8.696 1.00 42.11 H new ATOM 0 HD22 LEU A 53 17.703 -14.555 -8.491 1.00 42.11 H new ATOM 0 HD23 LEU A 53 15.946 -14.723 -8.262 1.00 42.11 H new ATOM 833 N LEU A 54 18.060 -17.086 -3.660 1.00 1.23 N ATOM 834 CA LEU A 54 17.711 -18.135 -2.708 1.00 71.02 C ATOM 835 C LEU A 54 18.460 -17.949 -1.393 1.00 5.31 C ATOM 836 O LEU A 54 17.859 -17.943 -0.318 1.00 74.25 O ATOM 837 CB LEU A 54 18.026 -19.511 -3.298 1.00 2.14 C ATOM 838 CG LEU A 54 17.150 -19.956 -4.469 1.00 43.02 C ATOM 839 CD1 LEU A 54 17.947 -20.824 -5.432 1.00 15.54 C ATOM 840 CD2 LEU A 54 15.924 -20.703 -3.965 1.00 1.22 C ATOM 0 H LEU A 54 18.665 -17.392 -4.422 1.00 1.23 H new ATOM 0 HA LEU A 54 16.642 -18.068 -2.507 1.00 71.02 H new ATOM 0 HB2 LEU A 54 19.065 -19.514 -3.626 1.00 2.14 H new ATOM 0 HB3 LEU A 54 17.940 -20.253 -2.504 1.00 2.14 H new ATOM 0 HG LEU A 54 16.814 -19.068 -5.005 1.00 43.02 H new ATOM 0 HD11 LEU A 54 17.307 -21.132 -6.259 1.00 15.54 H new ATOM 0 HD12 LEU A 54 18.793 -20.256 -5.819 1.00 15.54 H new ATOM 0 HD13 LEU A 54 18.313 -21.707 -4.908 1.00 15.54 H new ATOM 0 HD21 LEU A 54 15.312 -21.012 -4.813 1.00 1.22 H new ATOM 0 HD22 LEU A 54 16.239 -21.583 -3.405 1.00 1.22 H new ATOM 0 HD23 LEU A 54 15.341 -20.049 -3.316 1.00 1.22 H new ATOM 852 N HIS A 55 19.778 -17.794 -1.485 1.00 34.21 N ATOM 853 CA HIS A 55 20.610 -17.604 -0.302 1.00 34.40 C ATOM 854 C HIS A 55 20.075 -16.465 0.561 1.00 45.13 C ATOM 855 O HIS A 55 19.986 -16.586 1.783 1.00 72.44 O ATOM 856 CB HIS A 55 22.055 -17.317 -0.710 1.00 13.41 C ATOM 857 CG HIS A 55 23.020 -17.363 0.434 1.00 5.10 C ATOM 858 ND1 HIS A 55 24.118 -18.197 0.459 1.00 45.33 N ATOM 859 CD2 HIS A 55 23.049 -16.671 1.597 1.00 43.21 C ATOM 860 CE1 HIS A 55 24.780 -18.017 1.588 1.00 51.30 C ATOM 861 NE2 HIS A 55 24.152 -17.095 2.296 1.00 21.53 N ATOM 0 H HIS A 55 20.292 -17.796 -2.366 1.00 34.21 H new ATOM 0 HA HIS A 55 20.582 -18.523 0.284 1.00 34.40 H new ATOM 0 HB2 HIS A 55 22.362 -18.042 -1.463 1.00 13.41 H new ATOM 0 HB3 HIS A 55 22.104 -16.333 -1.177 1.00 13.41 H new ATOM 0 HD2 HIS A 55 22.337 -15.924 1.916 1.00 43.21 H new ATOM 0 HE1 HIS A 55 25.681 -18.535 1.882 1.00 51.30 H new ATOM 0 HE2 HIS A 55 24.440 -16.754 3.213 1.00 21.53 H new ATOM 869 N LYS A 56 19.723 -15.357 -0.083 1.00 33.32 N ATOM 870 CA LYS A 56 19.197 -14.196 0.624 1.00 10.52 C ATOM 871 C LYS A 56 17.749 -14.425 1.047 1.00 44.12 C ATOM 872 O LYS A 56 17.248 -13.770 1.960 1.00 70.42 O ATOM 873 CB LYS A 56 19.290 -12.950 -0.260 1.00 1.33 C ATOM 874 CG LYS A 56 20.490 -12.072 0.051 1.00 12.43 C ATOM 875 CD LYS A 56 20.364 -11.419 1.418 1.00 52.34 C ATOM 876 CE LYS A 56 21.727 -11.179 2.049 1.00 72.52 C ATOM 877 NZ LYS A 56 21.638 -11.057 3.530 1.00 22.23 N ATOM 0 H LYS A 56 19.793 -15.239 -1.094 1.00 33.32 H new ATOM 0 HA LYS A 56 19.799 -14.045 1.520 1.00 10.52 H new ATOM 0 HB2 LYS A 56 19.337 -13.258 -1.304 1.00 1.33 H new ATOM 0 HB3 LYS A 56 18.380 -12.362 -0.142 1.00 1.33 H new ATOM 0 HG2 LYS A 56 21.400 -12.672 0.016 1.00 12.43 H new ATOM 0 HG3 LYS A 56 20.586 -11.301 -0.714 1.00 12.43 H new ATOM 0 HD2 LYS A 56 19.834 -10.471 1.322 1.00 52.34 H new ATOM 0 HD3 LYS A 56 19.766 -12.054 2.072 1.00 52.34 H new ATOM 0 HE2 LYS A 56 22.396 -12.000 1.792 1.00 72.52 H new ATOM 0 HE3 LYS A 56 22.164 -10.270 1.635 1.00 72.52 H new ATOM 0 HZ1 LYS A 56 22.587 -10.894 3.923 1.00 22.23 H new ATOM 0 HZ2 LYS A 56 21.020 -10.258 3.776 1.00 22.23 H new ATOM 0 HZ3 LYS A 56 21.245 -11.934 3.928 1.00 22.23 H new ATOM 891 N GLY A 57 17.083 -15.360 0.377 1.00 71.33 N ATOM 892 CA GLY A 57 15.700 -15.660 0.699 1.00 51.04 C ATOM 893 C GLY A 57 15.554 -16.360 2.035 1.00 3.12 C ATOM 894 O GLY A 57 14.801 -15.913 2.900 1.00 3.55 O ATOM 0 H GLY A 57 17.476 -15.915 -0.383 1.00 71.33 H new ATOM 0 HA2 GLY A 57 15.124 -14.734 0.713 1.00 51.04 H new ATOM 0 HA3 GLY A 57 15.276 -16.288 -0.085 1.00 51.04 H new ATOM 898 N LYS A 58 16.275 -17.463 2.205 1.00 3.13 N ATOM 899 CA LYS A 58 16.224 -18.228 3.446 1.00 53.33 C ATOM 900 C LYS A 58 17.030 -17.540 4.543 1.00 53.11 C ATOM 901 O LYS A 58 16.836 -17.808 5.728 1.00 30.30 O ATOM 902 CB LYS A 58 16.757 -19.644 3.218 1.00 32.02 C ATOM 903 CG LYS A 58 18.273 -19.729 3.210 1.00 23.23 C ATOM 904 CD LYS A 58 18.828 -19.663 1.797 1.00 1.22 C ATOM 905 CE LYS A 58 19.982 -20.635 1.605 1.00 1.23 C ATOM 906 NZ LYS A 58 19.959 -21.263 0.256 1.00 63.45 N ATOM 0 H LYS A 58 16.902 -17.848 1.499 1.00 3.13 H new ATOM 0 HA LYS A 58 15.184 -18.285 3.766 1.00 53.33 H new ATOM 0 HB2 LYS A 58 16.369 -20.299 3.998 1.00 32.02 H new ATOM 0 HB3 LYS A 58 16.375 -20.018 2.268 1.00 32.02 H new ATOM 0 HG2 LYS A 58 18.687 -18.913 3.803 1.00 23.23 H new ATOM 0 HG3 LYS A 58 18.589 -20.659 3.683 1.00 23.23 H new ATOM 0 HD2 LYS A 58 18.036 -19.891 1.083 1.00 1.22 H new ATOM 0 HD3 LYS A 58 19.166 -18.649 1.585 1.00 1.22 H new ATOM 0 HE2 LYS A 58 20.927 -20.109 1.745 1.00 1.23 H new ATOM 0 HE3 LYS A 58 19.933 -21.412 2.368 1.00 1.23 H new ATOM 0 HZ1 LYS A 58 20.761 -21.919 0.165 1.00 63.45 H new ATOM 0 HZ2 LYS A 58 19.069 -21.786 0.132 1.00 63.45 H new ATOM 0 HZ3 LYS A 58 20.031 -20.524 -0.472 1.00 63.45 H new ATOM 920 N GLU A 59 17.933 -16.651 4.139 1.00 35.43 N ATOM 921 CA GLU A 59 18.767 -15.925 5.090 1.00 74.32 C ATOM 922 C GLU A 59 17.966 -14.833 5.793 1.00 33.53 C ATOM 923 O GLU A 59 17.822 -14.843 7.016 1.00 73.51 O ATOM 924 CB GLU A 59 19.973 -15.310 4.377 1.00 13.43 C ATOM 925 CG GLU A 59 20.845 -14.457 5.283 1.00 12.15 C ATOM 926 CD GLU A 59 21.419 -15.242 6.447 1.00 3.50 C ATOM 927 OE1 GLU A 59 22.174 -16.205 6.199 1.00 52.02 O ATOM 928 OE2 GLU A 59 21.114 -14.891 7.606 1.00 21.13 O ATOM 0 H GLU A 59 18.105 -16.417 3.161 1.00 35.43 H new ATOM 0 HA GLU A 59 19.119 -16.633 5.840 1.00 74.32 H new ATOM 0 HB2 GLU A 59 20.579 -16.109 3.951 1.00 13.43 H new ATOM 0 HB3 GLU A 59 19.621 -14.699 3.546 1.00 13.43 H new ATOM 0 HG2 GLU A 59 21.661 -14.031 4.699 1.00 12.15 H new ATOM 0 HG3 GLU A 59 20.257 -13.623 5.667 1.00 12.15 H new ATOM 935 N VAL A 60 17.447 -13.892 5.012 1.00 55.22 N ATOM 936 CA VAL A 60 16.660 -12.793 5.558 1.00 14.24 C ATOM 937 C VAL A 60 15.544 -13.311 6.459 1.00 10.52 C ATOM 938 O VAL A 60 15.143 -12.644 7.415 1.00 71.54 O ATOM 939 CB VAL A 60 16.043 -11.933 4.439 1.00 3.20 C ATOM 940 CG1 VAL A 60 17.133 -11.353 3.550 1.00 54.40 C ATOM 941 CG2 VAL A 60 15.056 -12.752 3.621 1.00 11.52 C ATOM 0 H VAL A 60 17.557 -13.868 3.998 1.00 55.22 H new ATOM 0 HA VAL A 60 17.342 -12.177 6.145 1.00 14.24 H new ATOM 0 HB VAL A 60 15.501 -11.105 4.897 1.00 3.20 H new ATOM 0 HG11 VAL A 60 16.679 -10.748 2.765 1.00 54.40 H new ATOM 0 HG12 VAL A 60 17.798 -10.730 4.149 1.00 54.40 H new ATOM 0 HG13 VAL A 60 17.704 -12.164 3.098 1.00 54.40 H new ATOM 0 HG21 VAL A 60 14.630 -12.129 2.835 1.00 11.52 H new ATOM 0 HG22 VAL A 60 15.572 -13.601 3.172 1.00 11.52 H new ATOM 0 HG23 VAL A 60 14.258 -13.114 4.270 1.00 11.52 H new ATOM 951 N LEU A 61 15.046 -14.503 6.150 1.00 44.45 N ATOM 952 CA LEU A 61 13.976 -15.112 6.932 1.00 42.33 C ATOM 953 C LEU A 61 14.475 -15.514 8.316 1.00 15.10 C ATOM 954 O LEU A 61 13.884 -15.143 9.330 1.00 24.00 O ATOM 955 CB LEU A 61 13.418 -16.335 6.203 1.00 72.12 C ATOM 956 CG LEU A 61 12.629 -16.052 4.924 1.00 34.30 C ATOM 957 CD1 LEU A 61 12.540 -17.303 4.064 1.00 71.22 C ATOM 958 CD2 LEU A 61 11.238 -15.534 5.259 1.00 12.34 C ATOM 0 H LEU A 61 15.366 -15.067 5.363 1.00 44.45 H new ATOM 0 HA LEU A 61 13.182 -14.375 7.052 1.00 42.33 H new ATOM 0 HB2 LEU A 61 14.249 -16.995 5.955 1.00 72.12 H new ATOM 0 HB3 LEU A 61 12.772 -16.880 6.891 1.00 72.12 H new ATOM 0 HG LEU A 61 13.155 -15.283 4.358 1.00 34.30 H new ATOM 0 HD11 LEU A 61 11.975 -17.082 3.158 1.00 71.22 H new ATOM 0 HD12 LEU A 61 13.544 -17.632 3.795 1.00 71.22 H new ATOM 0 HD13 LEU A 61 12.037 -18.093 4.622 1.00 71.22 H new ATOM 0 HD21 LEU A 61 10.691 -15.338 4.337 1.00 12.34 H new ATOM 0 HD22 LEU A 61 10.703 -16.281 5.846 1.00 12.34 H new ATOM 0 HD23 LEU A 61 11.322 -14.612 5.834 1.00 12.34 H new ATOM 970 N GLU A 62 15.566 -16.273 8.349 1.00 14.23 N ATOM 971 CA GLU A 62 16.144 -16.724 9.610 1.00 54.52 C ATOM 972 C GLU A 62 16.724 -15.549 10.393 1.00 31.40 C ATOM 973 O GLU A 62 16.734 -15.555 11.624 1.00 61.41 O ATOM 974 CB GLU A 62 17.232 -17.767 9.353 1.00 65.32 C ATOM 975 CG GLU A 62 18.398 -17.241 8.532 1.00 21.51 C ATOM 976 CD GLU A 62 19.566 -18.208 8.491 1.00 73.11 C ATOM 977 OE1 GLU A 62 20.151 -18.479 9.560 1.00 15.13 O ATOM 978 OE2 GLU A 62 19.894 -18.694 7.388 1.00 20.12 O ATOM 0 H GLU A 62 16.067 -16.588 7.518 1.00 14.23 H new ATOM 0 HA GLU A 62 15.350 -17.177 10.203 1.00 54.52 H new ATOM 0 HB2 GLU A 62 17.607 -18.132 10.309 1.00 65.32 H new ATOM 0 HB3 GLU A 62 16.791 -18.620 8.837 1.00 65.32 H new ATOM 0 HG2 GLU A 62 18.061 -17.041 7.515 1.00 21.51 H new ATOM 0 HG3 GLU A 62 18.732 -16.291 8.949 1.00 21.51 H new ATOM 985 N TRP A 63 17.206 -14.545 9.670 1.00 1.14 N ATOM 986 CA TRP A 63 17.789 -13.364 10.297 1.00 51.20 C ATOM 987 C TRP A 63 16.703 -12.456 10.863 1.00 13.11 C ATOM 988 O TRP A 63 16.863 -11.875 11.936 1.00 24.21 O ATOM 989 CB TRP A 63 18.640 -12.593 9.287 1.00 50.24 C ATOM 990 CG TRP A 63 19.599 -11.635 9.926 1.00 21.02 C ATOM 991 CD1 TRP A 63 19.436 -10.287 10.074 1.00 75.30 C ATOM 992 CD2 TRP A 63 20.871 -11.952 10.502 1.00 31.32 C ATOM 993 NE1 TRP A 63 20.529 -9.748 10.707 1.00 1.42 N ATOM 994 CE2 TRP A 63 21.423 -10.748 10.981 1.00 23.32 C ATOM 995 CE3 TRP A 63 21.596 -13.136 10.662 1.00 72.30 C ATOM 996 CZ2 TRP A 63 22.666 -10.697 11.607 1.00 42.24 C ATOM 997 CZ3 TRP A 63 22.829 -13.083 11.283 1.00 63.54 C ATOM 998 CH2 TRP A 63 23.354 -11.871 11.749 1.00 22.15 C ATOM 0 H TRP A 63 17.205 -14.525 8.650 1.00 1.14 H new ATOM 0 HA TRP A 63 18.424 -13.696 11.119 1.00 51.20 H new ATOM 0 HB2 TRP A 63 19.199 -13.303 8.677 1.00 50.24 H new ATOM 0 HB3 TRP A 63 17.983 -12.043 8.614 1.00 50.24 H new ATOM 0 HD1 TRP A 63 18.574 -9.727 9.742 1.00 75.30 H new ATOM 0 HE1 TRP A 63 20.654 -8.762 10.936 1.00 1.42 H new ATOM 0 HE3 TRP A 63 21.200 -14.076 10.307 1.00 72.30 H new ATOM 0 HZ2 TRP A 63 23.072 -9.764 11.968 1.00 42.24 H new ATOM 0 HZ3 TRP A 63 23.398 -13.992 11.411 1.00 63.54 H new ATOM 0 HH2 TRP A 63 24.321 -11.863 12.230 1.00 22.15 H new ATOM 1009 N ALA A 64 15.597 -12.338 10.135 1.00 20.21 N ATOM 1010 CA ALA A 64 14.484 -11.502 10.567 1.00 74.52 C ATOM 1011 C ALA A 64 13.888 -12.014 11.874 1.00 11.11 C ATOM 1012 O ALA A 64 13.354 -11.240 12.667 1.00 14.24 O ATOM 1013 CB ALA A 64 13.416 -11.446 9.485 1.00 53.35 C ATOM 0 H ALA A 64 15.448 -12.811 9.244 1.00 20.21 H new ATOM 0 HA ALA A 64 14.864 -10.495 10.741 1.00 74.52 H new ATOM 0 HB1 ALA A 64 12.591 -10.818 9.821 1.00 53.35 H new ATOM 0 HB2 ALA A 64 13.843 -11.027 8.574 1.00 53.35 H new ATOM 0 HB3 ALA A 64 13.048 -12.452 9.284 1.00 53.35 H new ATOM 1019 N GLU A 65 13.983 -13.322 12.091 1.00 62.02 N ATOM 1020 CA GLU A 65 13.452 -13.936 13.302 1.00 14.31 C ATOM 1021 C GLU A 65 14.359 -13.657 14.497 1.00 41.43 C ATOM 1022 O GLU A 65 13.924 -13.711 15.647 1.00 31.55 O ATOM 1023 CB GLU A 65 13.294 -15.445 13.109 1.00 64.42 C ATOM 1024 CG GLU A 65 12.135 -15.826 12.203 1.00 43.41 C ATOM 1025 CD GLU A 65 11.723 -17.276 12.361 1.00 71.30 C ATOM 1026 OE1 GLU A 65 11.296 -17.655 13.472 1.00 43.23 O ATOM 1027 OE2 GLU A 65 11.827 -18.033 11.373 1.00 51.13 O ATOM 0 H GLU A 65 14.423 -13.977 11.444 1.00 62.02 H new ATOM 0 HA GLU A 65 12.474 -13.498 13.501 1.00 14.31 H new ATOM 0 HB2 GLU A 65 14.217 -15.848 12.692 1.00 64.42 H new ATOM 0 HB3 GLU A 65 13.152 -15.914 14.083 1.00 64.42 H new ATOM 0 HG2 GLU A 65 11.282 -15.184 12.422 1.00 43.41 H new ATOM 0 HG3 GLU A 65 12.414 -15.643 11.165 1.00 43.41 H new ATOM 1034 N HIS A 66 15.623 -13.357 14.215 1.00 23.50 N ATOM 1035 CA HIS A 66 16.593 -13.070 15.266 1.00 41.53 C ATOM 1036 C HIS A 66 16.254 -11.762 15.974 1.00 3.53 C ATOM 1037 O HIS A 66 16.172 -11.712 17.202 1.00 3.34 O ATOM 1038 CB HIS A 66 18.004 -12.995 14.681 1.00 73.55 C ATOM 1039 CG HIS A 66 18.912 -14.082 15.168 1.00 42.11 C ATOM 1040 ND1 HIS A 66 19.867 -13.884 16.143 1.00 14.23 N ATOM 1041 CD2 HIS A 66 19.007 -15.384 14.810 1.00 52.21 C ATOM 1042 CE1 HIS A 66 20.510 -15.016 16.363 1.00 61.41 C ATOM 1043 NE2 HIS A 66 20.007 -15.943 15.567 1.00 42.42 N ATOM 0 H HIS A 66 15.999 -13.306 13.268 1.00 23.50 H new ATOM 0 HA HIS A 66 16.553 -13.880 15.995 1.00 41.53 H new ATOM 0 HB2 HIS A 66 17.941 -13.045 13.594 1.00 73.55 H new ATOM 0 HB3 HIS A 66 18.441 -12.028 14.931 1.00 73.55 H new ATOM 0 HD2 HIS A 66 18.408 -15.889 14.067 1.00 52.21 H new ATOM 0 HE1 HIS A 66 21.311 -15.160 17.073 1.00 61.41 H new ATOM 0 HE2 HIS A 66 20.312 -16.915 15.522 1.00 42.42 H new ATOM 1051 N LEU A 67 16.059 -10.705 15.193 1.00 1.24 N ATOM 1052 CA LEU A 67 15.730 -9.395 15.746 1.00 33.51 C ATOM 1053 C LEU A 67 14.317 -9.387 16.320 1.00 55.50 C ATOM 1054 O LEU A 67 14.038 -8.695 17.299 1.00 11.00 O ATOM 1055 CB LEU A 67 15.862 -8.317 14.669 1.00 71.41 C ATOM 1056 CG LEU A 67 14.712 -8.228 13.665 1.00 45.35 C ATOM 1057 CD1 LEU A 67 13.684 -7.204 14.120 1.00 31.54 C ATOM 1058 CD2 LEU A 67 15.240 -7.877 12.281 1.00 55.12 C ATOM 0 H LEU A 67 16.123 -10.729 14.175 1.00 1.24 H new ATOM 0 HA LEU A 67 16.431 -9.181 16.552 1.00 33.51 H new ATOM 0 HB2 LEU A 67 15.964 -7.350 15.162 1.00 71.41 H new ATOM 0 HB3 LEU A 67 16.786 -8.493 14.118 1.00 71.41 H new ATOM 0 HG LEU A 67 14.225 -9.202 13.611 1.00 45.35 H new ATOM 0 HD11 LEU A 67 12.873 -7.155 13.393 1.00 31.54 H new ATOM 0 HD12 LEU A 67 13.284 -7.497 15.091 1.00 31.54 H new ATOM 0 HD13 LEU A 67 14.157 -6.226 14.203 1.00 31.54 H new ATOM 0 HD21 LEU A 67 14.409 -7.818 11.579 1.00 55.12 H new ATOM 0 HD22 LEU A 67 15.752 -6.915 12.320 1.00 55.12 H new ATOM 0 HD23 LEU A 67 15.939 -8.646 11.952 1.00 55.12 H new ATOM 1070 N ALA A 68 13.429 -10.161 15.705 1.00 53.22 N ATOM 1071 CA ALA A 68 12.046 -10.245 16.157 1.00 74.31 C ATOM 1072 C ALA A 68 11.961 -10.847 17.556 1.00 60.25 C ATOM 1073 O ALA A 68 11.101 -10.471 18.351 1.00 30.32 O ATOM 1074 CB ALA A 68 11.219 -11.065 15.177 1.00 40.42 C ATOM 0 H ALA A 68 13.643 -10.739 14.892 1.00 53.22 H new ATOM 0 HA ALA A 68 11.642 -9.234 16.200 1.00 74.31 H new ATOM 0 HB1 ALA A 68 10.188 -11.119 15.527 1.00 40.42 H new ATOM 0 HB2 ALA A 68 11.244 -10.592 14.195 1.00 40.42 H new ATOM 0 HB3 ALA A 68 11.632 -12.071 15.106 1.00 40.42 H new ATOM 1080 N GLU A 69 12.859 -11.783 17.847 1.00 34.43 N ATOM 1081 CA GLU A 69 12.883 -12.438 19.150 1.00 10.32 C ATOM 1082 C GLU A 69 13.596 -11.568 20.182 1.00 34.43 C ATOM 1083 O GLU A 69 13.393 -11.724 21.386 1.00 31.34 O ATOM 1084 CB GLU A 69 13.574 -13.799 19.049 1.00 3.01 C ATOM 1085 CG GLU A 69 12.722 -14.867 18.384 1.00 41.53 C ATOM 1086 CD GLU A 69 12.211 -15.902 19.367 1.00 45.02 C ATOM 1087 OE1 GLU A 69 13.021 -16.404 20.174 1.00 33.31 O ATOM 1088 OE2 GLU A 69 11.002 -16.210 19.328 1.00 14.44 O ATOM 0 H GLU A 69 13.578 -12.104 17.199 1.00 34.43 H new ATOM 0 HA GLU A 69 11.853 -12.586 19.474 1.00 10.32 H new ATOM 0 HB2 GLU A 69 14.502 -13.685 18.488 1.00 3.01 H new ATOM 0 HB3 GLU A 69 13.846 -14.134 20.050 1.00 3.01 H new ATOM 0 HG2 GLU A 69 11.875 -14.394 17.888 1.00 41.53 H new ATOM 0 HG3 GLU A 69 13.308 -15.364 17.611 1.00 41.53 H new ATOM 1095 N TRP A 70 14.430 -10.654 19.702 1.00 63.35 N ATOM 1096 CA TRP A 70 15.174 -9.760 20.582 1.00 71.30 C ATOM 1097 C TRP A 70 14.271 -9.197 21.674 1.00 24.12 C ATOM 1098 O TRP A 70 14.701 -9.015 22.814 1.00 53.02 O ATOM 1099 CB TRP A 70 15.794 -8.618 19.776 1.00 4.34 C ATOM 1100 CG TRP A 70 16.774 -7.800 20.563 1.00 54.20 C ATOM 1101 CD1 TRP A 70 18.069 -8.125 20.851 1.00 54.25 C ATOM 1102 CD2 TRP A 70 16.535 -6.522 21.164 1.00 25.30 C ATOM 1103 NE1 TRP A 70 18.650 -7.126 21.594 1.00 32.22 N ATOM 1104 CE2 TRP A 70 17.731 -6.132 21.799 1.00 15.42 C ATOM 1105 CE3 TRP A 70 15.430 -5.670 21.226 1.00 41.33 C ATOM 1106 CZ2 TRP A 70 17.848 -4.927 22.487 1.00 0.30 C ATOM 1107 CZ3 TRP A 70 15.548 -4.474 21.909 1.00 22.40 C ATOM 1108 CH2 TRP A 70 16.750 -4.111 22.532 1.00 71.34 C ATOM 0 H TRP A 70 14.609 -10.512 18.708 1.00 63.35 H new ATOM 0 HA TRP A 70 15.970 -10.335 21.055 1.00 71.30 H new ATOM 0 HB2 TRP A 70 16.296 -9.031 18.901 1.00 4.34 H new ATOM 0 HB3 TRP A 70 14.999 -7.968 19.410 1.00 4.34 H new ATOM 0 HD1 TRP A 70 18.563 -9.034 20.540 1.00 54.25 H new ATOM 0 HE1 TRP A 70 19.610 -7.125 21.937 1.00 32.22 H new ATOM 0 HE3 TRP A 70 14.500 -5.941 20.749 1.00 41.33 H new ATOM 0 HZ2 TRP A 70 18.773 -4.646 22.968 1.00 0.30 H new ATOM 0 HZ3 TRP A 70 14.700 -3.808 21.964 1.00 22.40 H new ATOM 0 HH2 TRP A 70 16.811 -3.169 23.058 1.00 71.34 H new ATOM 1119 N ILE A 71 13.020 -8.924 21.319 1.00 5.44 N ATOM 1120 CA ILE A 71 12.058 -8.382 22.271 1.00 21.40 C ATOM 1121 C ILE A 71 12.029 -9.207 23.553 1.00 21.51 C ATOM 1122 O ILE A 71 12.017 -8.660 24.657 1.00 65.34 O ATOM 1123 CB ILE A 71 10.640 -8.335 21.672 1.00 31.02 C ATOM 1124 CG1 ILE A 71 10.239 -9.714 21.145 1.00 61.30 C ATOM 1125 CG2 ILE A 71 10.568 -7.296 20.563 1.00 71.52 C ATOM 1126 CD1 ILE A 71 8.981 -9.698 20.306 1.00 35.20 C ATOM 0 H ILE A 71 12.649 -9.069 20.380 1.00 5.44 H new ATOM 0 HA ILE A 71 12.380 -7.367 22.502 1.00 21.40 H new ATOM 0 HB ILE A 71 9.939 -8.050 22.457 1.00 31.02 H new ATOM 0 HG12 ILE A 71 11.058 -10.119 20.550 1.00 61.30 H new ATOM 0 HG13 ILE A 71 10.095 -10.389 21.989 1.00 61.30 H new ATOM 0 HG21 ILE A 71 9.560 -7.275 20.149 1.00 71.52 H new ATOM 0 HG22 ILE A 71 10.815 -6.314 20.967 1.00 71.52 H new ATOM 0 HG23 ILE A 71 11.277 -7.554 19.776 1.00 71.52 H new ATOM 0 HD11 ILE A 71 8.757 -10.709 19.967 1.00 35.20 H new ATOM 0 HD12 ILE A 71 8.150 -9.324 20.904 1.00 35.20 H new ATOM 0 HD13 ILE A 71 9.128 -9.050 19.442 1.00 35.20 H new ATOM 1138 N LEU A 72 12.019 -10.527 23.401 1.00 63.14 N ATOM 1139 CA LEU A 72 11.994 -11.430 24.546 1.00 10.55 C ATOM 1140 C LEU A 72 13.346 -11.453 25.252 1.00 43.54 C ATOM 1141 O LEU A 72 13.416 -11.450 26.480 1.00 0.40 O ATOM 1142 CB LEU A 72 11.615 -12.843 24.099 1.00 11.55 C ATOM 1143 CG LEU A 72 10.349 -12.961 23.250 1.00 10.12 C ATOM 1144 CD1 LEU A 72 10.673 -13.555 21.889 1.00 63.55 C ATOM 1145 CD2 LEU A 72 9.303 -13.803 23.966 1.00 1.23 C ATOM 0 H LEU A 72 12.028 -10.996 22.495 1.00 63.14 H new ATOM 0 HA LEU A 72 11.245 -11.065 25.248 1.00 10.55 H new ATOM 0 HB2 LEU A 72 12.448 -13.259 23.533 1.00 11.55 H new ATOM 0 HB3 LEU A 72 11.492 -13.463 24.987 1.00 11.55 H new ATOM 0 HG LEU A 72 9.941 -11.961 23.100 1.00 10.12 H new ATOM 0 HD11 LEU A 72 9.760 -13.631 21.299 1.00 63.55 H new ATOM 0 HD12 LEU A 72 11.386 -12.913 21.372 1.00 63.55 H new ATOM 0 HD13 LEU A 72 11.105 -14.547 22.019 1.00 63.55 H new ATOM 0 HD21 LEU A 72 8.409 -13.876 23.347 1.00 1.23 H new ATOM 0 HD22 LEU A 72 9.701 -14.801 24.147 1.00 1.23 H new ATOM 0 HD23 LEU A 72 9.049 -13.336 24.917 1.00 1.23 H new ATOM 1157 N GLU A 73 14.418 -11.473 24.465 1.00 71.20 N ATOM 1158 CA GLU A 73 15.768 -11.495 25.015 1.00 21.11 C ATOM 1159 C GLU A 73 15.960 -10.372 26.030 1.00 44.42 C ATOM 1160 O GLU A 73 16.727 -10.506 26.984 1.00 21.20 O ATOM 1161 CB GLU A 73 16.802 -11.367 23.894 1.00 34.01 C ATOM 1162 CG GLU A 73 17.998 -12.289 24.061 1.00 1.51 C ATOM 1163 CD GLU A 73 19.005 -12.147 22.936 1.00 10.01 C ATOM 1164 OE1 GLU A 73 19.669 -11.092 22.862 1.00 14.13 O ATOM 1165 OE2 GLU A 73 19.129 -13.092 22.130 1.00 61.45 O ATOM 0 H GLU A 73 14.377 -11.474 23.446 1.00 71.20 H new ATOM 0 HA GLU A 73 15.910 -12.449 25.523 1.00 21.11 H new ATOM 0 HB2 GLU A 73 16.320 -11.581 22.940 1.00 34.01 H new ATOM 0 HB3 GLU A 73 17.152 -10.336 23.850 1.00 34.01 H new ATOM 0 HG2 GLU A 73 18.487 -12.075 25.011 1.00 1.51 H new ATOM 0 HG3 GLU A 73 17.652 -13.322 24.106 1.00 1.51 H new ATOM 1172 N HIS A 74 15.259 -9.263 25.816 1.00 1.23 N ATOM 1173 CA HIS A 74 15.352 -8.115 26.712 1.00 70.14 C ATOM 1174 C HIS A 74 14.029 -7.357 26.762 1.00 41.43 C ATOM 1175 O HIS A 74 13.988 -6.146 26.541 1.00 43.24 O ATOM 1176 CB HIS A 74 16.473 -7.179 26.260 1.00 3.23 C ATOM 1177 CG HIS A 74 16.822 -6.131 27.272 1.00 43.11 C ATOM 1178 ND1 HIS A 74 16.719 -4.779 27.021 1.00 0.13 N ATOM 1179 CD2 HIS A 74 17.274 -6.243 28.543 1.00 73.10 C ATOM 1180 CE1 HIS A 74 17.094 -4.105 28.094 1.00 54.32 C ATOM 1181 NE2 HIS A 74 17.435 -4.970 29.032 1.00 54.12 N ATOM 0 H HIS A 74 14.621 -9.135 25.031 1.00 1.23 H new ATOM 0 HA HIS A 74 15.578 -8.483 27.713 1.00 70.14 H new ATOM 0 HB2 HIS A 74 17.362 -7.770 26.039 1.00 3.23 H new ATOM 0 HB3 HIS A 74 16.176 -6.691 25.332 1.00 3.23 H new ATOM 0 HD2 HIS A 74 17.471 -7.163 29.074 1.00 73.10 H new ATOM 0 HE1 HIS A 74 17.118 -3.029 28.188 1.00 54.32 H new ATOM 0 HE2 HIS A 74 17.764 -4.731 29.967 1.00 54.12 H new TER 1189 HIS A 74