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 -35:sc= 0.185 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.781 X(o=-0.78,f=-0.57) USER MOD Single : A 23 TYR OH : rot 178:sc= 0.199 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=-0.46) 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= -0.403 X(o=-0.4,f=-0.34) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.0664 X(o=-0.066,f=0.015) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 56 LYS NZ :NH3+ -164:sc= 0 (180deg=-9.91e-05) USER MOD Single : A 58 LYS NZ :NH3+ 156:sc= -0.353 (180deg=-0.86) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 25 N THR A 3 7.053 -5.532 -3.739 1.00 0.00 N ATOM 26 CA THR A 3 8.506 -5.627 -3.801 1.00 10.31 C ATOM 27 C THR A 3 9.083 -6.104 -2.473 1.00 50.11 C ATOM 28 O THR A 3 8.545 -5.801 -1.408 1.00 22.35 O ATOM 29 CB THR A 3 9.142 -4.273 -4.167 1.00 42.51 C ATOM 30 OG1 THR A 3 8.629 -3.243 -3.314 1.00 31.41 O ATOM 31 CG2 THR A 3 8.864 -3.919 -5.620 1.00 72.23 C ATOM 0 HA THR A 3 8.742 -6.353 -4.579 1.00 10.31 H new ATOM 0 HB THR A 3 10.220 -4.355 -4.029 1.00 42.51 H new ATOM 0 HG1 THR A 3 7.688 -3.425 -3.111 1.00 31.41 H new ATOM 0 HG21 THR A 3 9.323 -2.959 -5.855 1.00 72.23 H new ATOM 0 HG22 THR A 3 9.282 -4.689 -6.268 1.00 72.23 H new ATOM 0 HG23 THR A 3 7.788 -3.855 -5.779 1.00 72.23 H new ATOM 39 N ILE A 4 10.180 -6.850 -2.544 1.00 60.22 N ATOM 40 CA ILE A 4 10.830 -7.367 -1.347 1.00 25.24 C ATOM 41 C ILE A 4 11.089 -6.254 -0.337 1.00 44.34 C ATOM 42 O ILE A 4 10.946 -6.450 0.869 1.00 33.05 O ATOM 43 CB ILE A 4 12.164 -8.059 -1.685 1.00 4.15 C ATOM 44 CG1 ILE A 4 11.931 -9.222 -2.651 1.00 55.31 C ATOM 45 CG2 ILE A 4 12.844 -8.547 -0.414 1.00 64.42 C ATOM 46 CD1 ILE A 4 10.963 -10.259 -2.125 1.00 64.33 C ATOM 0 H ILE A 4 10.637 -7.110 -3.418 1.00 60.22 H new ATOM 0 HA ILE A 4 10.151 -8.099 -0.911 1.00 25.24 H new ATOM 0 HB ILE A 4 12.819 -7.335 -2.170 1.00 4.15 H new ATOM 0 HG12 ILE A 4 11.553 -8.830 -3.595 1.00 55.31 H new ATOM 0 HG13 ILE A 4 12.885 -9.703 -2.865 1.00 55.31 H new ATOM 0 HG21 ILE A 4 13.785 -9.034 -0.669 1.00 64.42 H new ATOM 0 HG22 ILE A 4 13.040 -7.699 0.242 1.00 64.42 H new ATOM 0 HG23 ILE A 4 12.194 -9.258 0.096 1.00 64.42 H new ATOM 0 HD11 ILE A 4 10.846 -11.054 -2.862 1.00 64.33 H new ATOM 0 HD12 ILE A 4 11.349 -10.679 -1.196 1.00 64.33 H new ATOM 0 HD13 ILE A 4 9.996 -9.792 -1.938 1.00 64.33 H new ATOM 58 N ASP A 5 11.470 -5.084 -0.840 1.00 22.42 N ATOM 59 CA ASP A 5 11.746 -3.937 0.017 1.00 25.54 C ATOM 60 C ASP A 5 10.574 -3.664 0.954 1.00 31.32 C ATOM 61 O ASP A 5 10.757 -3.166 2.065 1.00 21.11 O ATOM 62 CB ASP A 5 12.037 -2.698 -0.831 1.00 22.33 C ATOM 63 CG ASP A 5 13.460 -2.202 -0.661 1.00 54.44 C ATOM 64 OD1 ASP A 5 13.912 -2.080 0.496 1.00 1.14 O ATOM 65 OD2 ASP A 5 14.121 -1.935 -1.687 1.00 35.53 O ATOM 0 H ASP A 5 11.595 -4.906 -1.837 1.00 22.42 H new ATOM 0 HA ASP A 5 12.624 -4.169 0.621 1.00 25.54 H new ATOM 0 HB2 ASP A 5 11.859 -2.930 -1.881 1.00 22.33 H new ATOM 0 HB3 ASP A 5 11.343 -1.903 -0.558 1.00 22.33 H new ATOM 70 N ASP A 6 9.370 -3.993 0.498 1.00 2.43 N ATOM 71 CA ASP A 6 8.167 -3.783 1.295 1.00 2.34 C ATOM 72 C ASP A 6 8.225 -4.590 2.589 1.00 75.05 C ATOM 73 O ASP A 6 7.699 -4.169 3.618 1.00 10.15 O ATOM 74 CB ASP A 6 6.924 -4.169 0.493 1.00 71.31 C ATOM 75 CG ASP A 6 5.642 -3.685 1.142 1.00 22.40 C ATOM 76 OD1 ASP A 6 5.375 -2.466 1.092 1.00 21.32 O ATOM 77 OD2 ASP A 6 4.906 -4.526 1.699 1.00 12.10 O ATOM 0 H ASP A 6 9.201 -4.406 -0.419 1.00 2.43 H new ATOM 0 HA ASP A 6 8.110 -2.725 1.550 1.00 2.34 H new ATOM 0 HB2 ASP A 6 6.999 -3.752 -0.511 1.00 71.31 H new ATOM 0 HB3 ASP A 6 6.887 -5.253 0.386 1.00 71.31 H new ATOM 82 N ALA A 7 8.865 -5.753 2.526 1.00 3.34 N ATOM 83 CA ALA A 7 8.992 -6.618 3.692 1.00 30.41 C ATOM 84 C ALA A 7 9.916 -6.001 4.736 1.00 22.44 C ATOM 85 O ALA A 7 9.544 -5.856 5.901 1.00 22.20 O ATOM 86 CB ALA A 7 9.502 -7.991 3.278 1.00 44.54 C ATOM 0 H ALA A 7 9.303 -6.118 1.680 1.00 3.34 H new ATOM 0 HA ALA A 7 8.004 -6.729 4.140 1.00 30.41 H new ATOM 0 HB1 ALA A 7 9.592 -8.627 4.159 1.00 44.54 H new ATOM 0 HB2 ALA A 7 8.802 -8.442 2.575 1.00 44.54 H new ATOM 0 HB3 ALA A 7 10.478 -7.889 2.803 1.00 44.54 H new ATOM 92 N PHE A 8 11.123 -5.640 4.312 1.00 32.35 N ATOM 93 CA PHE A 8 12.101 -5.040 5.212 1.00 63.21 C ATOM 94 C PHE A 8 11.498 -3.854 5.959 1.00 71.23 C ATOM 95 O PHE A 8 11.854 -3.583 7.105 1.00 4.43 O ATOM 96 CB PHE A 8 13.336 -4.590 4.429 1.00 42.30 C ATOM 97 CG PHE A 8 13.927 -5.669 3.568 1.00 73.23 C ATOM 98 CD1 PHE A 8 14.109 -6.949 4.066 1.00 61.20 C ATOM 99 CD2 PHE A 8 14.299 -5.404 2.260 1.00 71.34 C ATOM 100 CE1 PHE A 8 14.653 -7.944 3.276 1.00 60.03 C ATOM 101 CE2 PHE A 8 14.843 -6.395 1.464 1.00 31.34 C ATOM 102 CZ PHE A 8 15.019 -7.667 1.973 1.00 62.10 C ATOM 0 H PHE A 8 11.447 -5.753 3.351 1.00 32.35 H new ATOM 0 HA PHE A 8 12.396 -5.794 5.942 1.00 63.21 H new ATOM 0 HB2 PHE A 8 13.068 -3.741 3.800 1.00 42.30 H new ATOM 0 HB3 PHE A 8 14.094 -4.241 5.131 1.00 42.30 H new ATOM 0 HD1 PHE A 8 13.822 -7.172 5.083 1.00 61.20 H new ATOM 0 HD2 PHE A 8 14.162 -4.411 1.857 1.00 71.34 H new ATOM 0 HE1 PHE A 8 14.792 -8.937 3.677 1.00 60.03 H new ATOM 0 HE2 PHE A 8 15.130 -6.175 0.446 1.00 31.34 H new ATOM 0 HZ PHE A 8 15.442 -8.444 1.353 1.00 62.10 H new ATOM 112 N ARG A 9 10.583 -3.151 5.300 1.00 73.24 N ATOM 113 CA ARG A 9 9.931 -1.993 5.899 1.00 32.33 C ATOM 114 C ARG A 9 9.087 -2.406 7.102 1.00 63.51 C ATOM 115 O ARG A 9 9.158 -1.789 8.164 1.00 44.00 O ATOM 116 CB ARG A 9 9.053 -1.284 4.867 1.00 51.13 C ATOM 117 CG ARG A 9 9.841 -0.474 3.850 1.00 23.15 C ATOM 118 CD ARG A 9 8.957 -0.005 2.705 1.00 4.14 C ATOM 119 NE ARG A 9 9.188 1.399 2.376 1.00 13.11 N ATOM 120 CZ ARG A 9 8.811 2.408 3.154 1.00 22.21 C ATOM 121 NH1 ARG A 9 8.190 2.169 4.301 1.00 61.12 N ATOM 122 NH2 ARG A 9 9.056 3.659 2.786 1.00 65.22 N ATOM 0 H ARG A 9 10.276 -3.363 4.351 1.00 73.24 H new ATOM 0 HA ARG A 9 10.707 -1.307 6.239 1.00 32.33 H new ATOM 0 HB2 ARG A 9 8.453 -2.027 4.341 1.00 51.13 H new ATOM 0 HB3 ARG A 9 8.359 -0.623 5.386 1.00 51.13 H new ATOM 0 HG2 ARG A 9 10.291 0.389 4.341 1.00 23.15 H new ATOM 0 HG3 ARG A 9 10.658 -1.079 3.456 1.00 23.15 H new ATOM 0 HD2 ARG A 9 9.147 -0.620 1.825 1.00 4.14 H new ATOM 0 HD3 ARG A 9 7.910 -0.147 2.973 1.00 4.14 H new ATOM 0 HE ARG A 9 9.665 1.617 1.501 1.00 13.11 H new ATOM 0 HH11 ARG A 9 8.001 1.209 4.588 1.00 61.12 H new ATOM 0 HH12 ARG A 9 7.902 2.945 4.896 1.00 61.12 H new ATOM 0 HH21 ARG A 9 9.534 3.847 1.905 1.00 65.22 H new ATOM 0 HH22 ARG A 9 8.766 4.433 3.384 1.00 65.22 H new ATOM 136 N ALA A 10 8.289 -3.455 6.926 1.00 2.53 N ATOM 137 CA ALA A 10 7.434 -3.951 7.997 1.00 55.12 C ATOM 138 C ALA A 10 8.261 -4.411 9.192 1.00 11.13 C ATOM 139 O ALA A 10 7.856 -4.238 10.342 1.00 30.44 O ATOM 140 CB ALA A 10 6.559 -5.088 7.489 1.00 11.32 C ATOM 0 H ALA A 10 8.217 -3.977 6.053 1.00 2.53 H new ATOM 0 HA ALA A 10 6.794 -3.133 8.326 1.00 55.12 H new ATOM 0 HB1 ALA A 10 5.925 -5.449 8.299 1.00 11.32 H new ATOM 0 HB2 ALA A 10 5.934 -4.729 6.672 1.00 11.32 H new ATOM 0 HB3 ALA A 10 7.191 -5.902 7.132 1.00 11.32 H new ATOM 146 N ILE A 11 9.420 -4.997 8.913 1.00 3.12 N ATOM 147 CA ILE A 11 10.304 -5.481 9.966 1.00 20.14 C ATOM 148 C ILE A 11 10.571 -4.395 11.003 1.00 53.22 C ATOM 149 O ILE A 11 10.553 -4.654 12.206 1.00 51.34 O ATOM 150 CB ILE A 11 11.648 -5.969 9.394 1.00 73.34 C ATOM 151 CG1 ILE A 11 11.419 -7.112 8.402 1.00 42.33 C ATOM 152 CG2 ILE A 11 12.572 -6.413 10.517 1.00 24.22 C ATOM 153 CD1 ILE A 11 10.833 -8.354 9.035 1.00 11.22 C ATOM 0 H ILE A 11 9.769 -5.148 7.967 1.00 3.12 H new ATOM 0 HA ILE A 11 9.796 -6.319 10.443 1.00 20.14 H new ATOM 0 HB ILE A 11 12.123 -5.143 8.865 1.00 73.34 H new ATOM 0 HG12 ILE A 11 10.752 -6.768 7.612 1.00 42.33 H new ATOM 0 HG13 ILE A 11 12.368 -7.368 7.930 1.00 42.33 H new ATOM 0 HG21 ILE A 11 13.518 -6.755 10.096 1.00 24.22 H new ATOM 0 HG22 ILE A 11 12.756 -5.575 11.190 1.00 24.22 H new ATOM 0 HG23 ILE A 11 12.106 -7.228 11.071 1.00 24.22 H new ATOM 0 HD11 ILE A 11 10.698 -9.122 8.273 1.00 11.22 H new ATOM 0 HD12 ILE A 11 11.509 -8.723 9.806 1.00 11.22 H new ATOM 0 HD13 ILE A 11 9.869 -8.114 9.483 1.00 11.22 H new ATOM 165 N GLU A 12 10.816 -3.178 10.527 1.00 11.11 N ATOM 166 CA GLU A 12 11.085 -2.052 11.414 1.00 41.25 C ATOM 167 C GLU A 12 9.963 -1.882 12.434 1.00 60.13 C ATOM 168 O GLU A 12 10.212 -1.593 13.604 1.00 4.40 O ATOM 169 CB GLU A 12 11.252 -0.765 10.603 1.00 15.42 C ATOM 170 CG GLU A 12 11.604 0.447 11.450 1.00 33.33 C ATOM 171 CD GLU A 12 11.672 1.726 10.639 1.00 63.10 C ATOM 172 OE1 GLU A 12 10.604 2.313 10.367 1.00 1.44 O ATOM 173 OE2 GLU A 12 12.793 2.139 10.276 1.00 41.34 O ATOM 0 H GLU A 12 10.834 -2.947 9.534 1.00 11.11 H new ATOM 0 HA GLU A 12 12.011 -2.258 11.951 1.00 41.25 H new ATOM 0 HB2 GLU A 12 12.032 -0.915 9.856 1.00 15.42 H new ATOM 0 HB3 GLU A 12 10.327 -0.564 10.062 1.00 15.42 H new ATOM 0 HG2 GLU A 12 10.862 0.561 12.240 1.00 33.33 H new ATOM 0 HG3 GLU A 12 12.565 0.279 11.937 1.00 33.33 H new ATOM 180 N ARG A 13 8.727 -2.064 11.981 1.00 51.24 N ATOM 181 CA ARG A 13 7.566 -1.929 12.852 1.00 22.24 C ATOM 182 C ARG A 13 7.433 -3.140 13.771 1.00 73.41 C ATOM 183 O ARG A 13 6.911 -3.036 14.881 1.00 42.24 O ATOM 184 CB ARG A 13 6.293 -1.764 12.020 1.00 21.13 C ATOM 185 CG ARG A 13 5.459 -0.557 12.417 1.00 74.21 C ATOM 186 CD ARG A 13 5.295 0.413 11.257 1.00 23.41 C ATOM 187 NE ARG A 13 3.985 1.058 11.264 1.00 45.42 N ATOM 188 CZ ARG A 13 3.601 1.951 10.358 1.00 5.01 C ATOM 189 NH1 ARG A 13 4.423 2.301 9.378 1.00 11.41 N ATOM 190 NH2 ARG A 13 2.393 2.495 10.431 1.00 23.33 N ATOM 0 H ARG A 13 8.504 -2.305 11.015 1.00 51.24 H new ATOM 0 HA ARG A 13 7.706 -1.040 13.468 1.00 22.24 H new ATOM 0 HB2 ARG A 13 6.565 -1.677 10.968 1.00 21.13 H new ATOM 0 HB3 ARG A 13 5.685 -2.663 12.119 1.00 21.13 H new ATOM 0 HG2 ARG A 13 4.478 -0.888 12.758 1.00 74.21 H new ATOM 0 HG3 ARG A 13 5.932 -0.046 13.256 1.00 74.21 H new ATOM 0 HD2 ARG A 13 6.074 1.174 11.308 1.00 23.41 H new ATOM 0 HD3 ARG A 13 5.431 -0.120 10.316 1.00 23.41 H new ATOM 0 HE ARG A 13 3.329 0.810 12.005 1.00 45.42 H new ATOM 0 HH11 ARG A 13 5.352 1.885 9.319 1.00 11.41 H new ATOM 0 HH12 ARG A 13 4.126 2.987 8.684 1.00 11.41 H new ATOM 0 HH21 ARG A 13 1.758 2.228 11.183 1.00 23.33 H new ATOM 0 HH22 ARG A 13 2.099 3.180 9.735 1.00 23.33 H new ATOM 204 N ALA A 14 7.907 -4.289 13.300 1.00 41.03 N ATOM 205 CA ALA A 14 7.842 -5.519 14.079 1.00 62.23 C ATOM 206 C ALA A 14 8.661 -5.402 15.360 1.00 42.24 C ATOM 207 O ALA A 14 8.169 -5.692 16.451 1.00 43.14 O ATOM 208 CB ALA A 14 8.327 -6.697 13.246 1.00 34.13 C ATOM 0 H ALA A 14 8.340 -4.393 12.382 1.00 41.03 H new ATOM 0 HA ALA A 14 6.802 -5.689 14.358 1.00 62.23 H new ATOM 0 HB1 ALA A 14 8.273 -7.609 13.840 1.00 34.13 H new ATOM 0 HB2 ALA A 14 7.697 -6.802 12.362 1.00 34.13 H new ATOM 0 HB3 ALA A 14 9.358 -6.525 12.938 1.00 34.13 H new ATOM 214 N ILE A 15 9.912 -4.976 15.220 1.00 40.14 N ATOM 215 CA ILE A 15 10.798 -4.820 16.366 1.00 23.32 C ATOM 216 C ILE A 15 10.294 -3.731 17.307 1.00 62.11 C ATOM 217 O ILE A 15 10.410 -3.849 18.526 1.00 1.14 O ATOM 218 CB ILE A 15 12.234 -4.478 15.926 1.00 70.42 C ATOM 219 CG1 ILE A 15 13.140 -4.314 17.148 1.00 41.14 C ATOM 220 CG2 ILE A 15 12.241 -3.214 15.080 1.00 45.21 C ATOM 221 CD1 ILE A 15 14.325 -5.254 17.152 1.00 43.11 C ATOM 0 H ILE A 15 10.334 -4.733 14.324 1.00 40.14 H new ATOM 0 HA ILE A 15 10.805 -5.775 16.891 1.00 23.32 H new ATOM 0 HB ILE A 15 12.619 -5.299 15.321 1.00 70.42 H new ATOM 0 HG12 ILE A 15 13.502 -3.286 17.187 1.00 41.14 H new ATOM 0 HG13 ILE A 15 12.552 -4.479 18.051 1.00 41.14 H new ATOM 0 HG21 ILE A 15 13.263 -2.985 14.777 1.00 45.21 H new ATOM 0 HG22 ILE A 15 11.625 -3.366 14.194 1.00 45.21 H new ATOM 0 HG23 ILE A 15 11.841 -2.384 15.662 1.00 45.21 H new ATOM 0 HD11 ILE A 15 14.923 -5.082 18.047 1.00 43.11 H new ATOM 0 HD12 ILE A 15 13.972 -6.285 17.145 1.00 43.11 H new ATOM 0 HD13 ILE A 15 14.936 -5.073 16.267 1.00 43.11 H new ATOM 233 N GLN A 16 9.733 -2.673 16.731 1.00 0.21 N ATOM 234 CA GLN A 16 9.210 -1.563 17.519 1.00 52.11 C ATOM 235 C GLN A 16 8.056 -2.021 18.405 1.00 4.24 C ATOM 236 O GLN A 16 7.760 -1.399 19.425 1.00 55.42 O ATOM 237 CB GLN A 16 8.744 -0.432 16.600 1.00 65.22 C ATOM 238 CG GLN A 16 9.844 0.556 16.246 1.00 22.02 C ATOM 239 CD GLN A 16 9.741 1.849 17.031 1.00 41.25 C ATOM 240 OE1 GLN A 16 9.592 1.837 18.253 1.00 42.22 O ATOM 241 NE2 GLN A 16 9.820 2.975 16.330 1.00 21.42 N ATOM 0 H GLN A 16 9.629 -2.561 15.723 1.00 0.21 H new ATOM 0 HA GLN A 16 10.012 -1.195 18.159 1.00 52.11 H new ATOM 0 HB2 GLN A 16 8.344 -0.862 15.682 1.00 65.22 H new ATOM 0 HB3 GLN A 16 7.927 0.104 17.083 1.00 65.22 H new ATOM 0 HG2 GLN A 16 10.814 0.097 16.435 1.00 22.02 H new ATOM 0 HG3 GLN A 16 9.799 0.778 15.180 1.00 22.02 H new ATOM 0 HE21 GLN A 16 9.944 2.938 15.318 1.00 21.42 H new ATOM 0 HE22 GLN A 16 9.757 3.876 16.804 1.00 21.42 H new ATOM 250 N ALA A 17 7.409 -3.112 18.010 1.00 64.14 N ATOM 251 CA ALA A 17 6.290 -3.654 18.769 1.00 34.11 C ATOM 252 C ALA A 17 6.657 -3.830 20.239 1.00 52.52 C ATOM 253 O ALA A 17 5.945 -3.360 21.126 1.00 74.24 O ATOM 254 CB ALA A 17 5.840 -4.980 18.173 1.00 23.04 C ATOM 0 H ALA A 17 7.641 -3.638 17.168 1.00 64.14 H new ATOM 0 HA ALA A 17 5.466 -2.943 18.710 1.00 34.11 H new ATOM 0 HB1 ALA A 17 5.003 -5.373 18.750 1.00 23.04 H new ATOM 0 HB2 ALA A 17 5.528 -4.827 17.140 1.00 23.04 H new ATOM 0 HB3 ALA A 17 6.666 -5.691 18.201 1.00 23.04 H new ATOM 260 N GLU A 18 7.772 -4.509 20.488 1.00 0.34 N ATOM 261 CA GLU A 18 8.232 -4.747 21.852 1.00 54.24 C ATOM 262 C GLU A 18 7.157 -5.453 22.673 1.00 73.34 C ATOM 263 O GLU A 18 6.732 -4.958 23.715 1.00 13.14 O ATOM 264 CB GLU A 18 8.615 -3.426 22.522 1.00 2.02 C ATOM 265 CG GLU A 18 9.716 -2.671 21.795 1.00 34.43 C ATOM 266 CD GLU A 18 10.273 -1.523 22.613 1.00 45.41 C ATOM 267 OE1 GLU A 18 9.574 -1.059 23.538 1.00 53.34 O ATOM 268 OE2 GLU A 18 11.409 -1.087 22.328 1.00 33.54 O ATOM 0 H GLU A 18 8.373 -4.904 19.765 1.00 0.34 H new ATOM 0 HA GLU A 18 9.110 -5.391 21.805 1.00 54.24 H new ATOM 0 HB2 GLU A 18 7.731 -2.791 22.585 1.00 2.02 H new ATOM 0 HB3 GLU A 18 8.937 -3.627 23.544 1.00 2.02 H new ATOM 0 HG2 GLU A 18 10.523 -3.361 21.548 1.00 34.43 H new ATOM 0 HG3 GLU A 18 9.326 -2.286 20.853 1.00 34.43 H new ATOM 275 N ASN A 19 6.721 -6.614 22.193 1.00 45.10 N ATOM 276 CA ASN A 19 5.695 -7.389 22.881 1.00 3.32 C ATOM 277 C ASN A 19 6.053 -8.872 22.898 1.00 4.33 C ATOM 278 O ASN A 19 7.066 -9.282 22.332 1.00 2.34 O ATOM 279 CB ASN A 19 4.337 -7.188 22.206 1.00 30.40 C ATOM 280 CG ASN A 19 3.181 -7.338 23.177 1.00 43.24 C ATOM 281 OD1 ASN A 19 3.116 -6.646 24.193 1.00 43.02 O ATOM 282 ND2 ASN A 19 2.262 -8.245 22.867 1.00 42.33 N ATOM 0 H ASN A 19 7.062 -7.038 21.331 1.00 45.10 H new ATOM 0 HA ASN A 19 5.637 -7.036 23.911 1.00 3.32 H new ATOM 0 HB2 ASN A 19 4.302 -6.197 21.754 1.00 30.40 H new ATOM 0 HB3 ASN A 19 4.225 -7.911 21.398 1.00 30.40 H new ATOM 0 HD21 ASN A 19 1.461 -8.391 23.482 1.00 42.33 H new ATOM 0 HD22 ASN A 19 2.357 -8.796 22.014 1.00 42.33 H new ATOM 289 N GLU A 20 5.215 -9.670 23.551 1.00 35.01 N ATOM 290 CA GLU A 20 5.443 -11.107 23.642 1.00 64.33 C ATOM 291 C GLU A 20 4.195 -11.884 23.232 1.00 2.13 C ATOM 292 O GLU A 20 3.719 -12.747 23.968 1.00 60.42 O ATOM 293 CB GLU A 20 5.853 -11.492 25.065 1.00 60.32 C ATOM 294 CG GLU A 20 5.031 -10.805 26.142 1.00 51.32 C ATOM 295 CD GLU A 20 5.464 -11.192 27.543 1.00 52.05 C ATOM 296 OE1 GLU A 20 6.595 -10.835 27.933 1.00 22.21 O ATOM 297 OE2 GLU A 20 4.672 -11.852 28.248 1.00 41.43 O ATOM 0 H GLU A 20 4.372 -9.346 24.025 1.00 35.01 H new ATOM 0 HA GLU A 20 6.251 -11.364 22.957 1.00 64.33 H new ATOM 0 HB2 GLU A 20 5.759 -12.572 25.182 1.00 60.32 H new ATOM 0 HB3 GLU A 20 6.905 -11.246 25.210 1.00 60.32 H new ATOM 0 HG2 GLU A 20 5.116 -9.725 26.025 1.00 51.32 H new ATOM 0 HG3 GLU A 20 3.979 -11.058 26.008 1.00 51.32 H new ATOM 304 N GLY A 21 3.670 -11.569 22.052 1.00 13.22 N ATOM 305 CA GLY A 21 2.481 -12.245 21.565 1.00 5.30 C ATOM 306 C GLY A 21 2.161 -11.890 20.127 1.00 43.15 C ATOM 307 O GLY A 21 2.011 -12.772 19.281 1.00 31.33 O ATOM 0 H GLY A 21 4.046 -10.858 21.425 1.00 13.22 H new ATOM 0 HA2 GLY A 21 2.620 -13.323 21.648 1.00 5.30 H new ATOM 0 HA3 GLY A 21 1.633 -11.983 22.198 1.00 5.30 H new ATOM 311 N ARG A 22 2.055 -10.595 19.848 1.00 41.23 N ATOM 312 CA ARG A 22 1.748 -10.126 18.502 1.00 14.30 C ATOM 313 C ARG A 22 3.002 -10.107 17.633 1.00 73.21 C ATOM 314 O ARG A 22 2.918 -10.127 16.405 1.00 64.34 O ATOM 315 CB ARG A 22 1.130 -8.727 18.555 1.00 23.01 C ATOM 316 CG ARG A 22 -0.253 -8.695 19.184 1.00 73.45 C ATOM 317 CD ARG A 22 -0.243 -7.964 20.517 1.00 21.50 C ATOM 318 NE ARG A 22 -1.565 -7.454 20.872 1.00 65.23 N ATOM 319 CZ ARG A 22 -1.875 -6.995 22.079 1.00 75.50 C ATOM 320 NH1 ARG A 22 -0.964 -6.983 23.042 1.00 52.00 N ATOM 321 NH2 ARG A 22 -3.100 -6.548 22.325 1.00 51.53 N ATOM 0 H ARG A 22 2.177 -9.852 20.536 1.00 41.23 H new ATOM 0 HA ARG A 22 1.030 -10.817 18.059 1.00 14.30 H new ATOM 0 HB2 ARG A 22 1.791 -8.068 19.118 1.00 23.01 H new ATOM 0 HB3 ARG A 22 1.069 -8.328 17.543 1.00 23.01 H new ATOM 0 HG2 ARG A 22 -0.951 -8.206 18.505 1.00 73.45 H new ATOM 0 HG3 ARG A 22 -0.611 -9.714 19.330 1.00 73.45 H new ATOM 0 HD2 ARG A 22 0.107 -8.639 21.298 1.00 21.50 H new ATOM 0 HD3 ARG A 22 0.465 -7.136 20.471 1.00 21.50 H new ATOM 0 HE ARG A 22 -2.289 -7.450 20.154 1.00 65.23 H new ATOM 0 HH11 ARG A 22 -0.022 -7.327 22.857 1.00 52.00 H new ATOM 0 HH12 ARG A 22 -1.205 -6.630 23.968 1.00 52.00 H new ATOM 0 HH21 ARG A 22 -3.804 -6.557 21.587 1.00 51.53 H new ATOM 0 HH22 ARG A 22 -3.338 -6.196 23.252 1.00 51.53 H new ATOM 335 N TYR A 23 4.162 -10.068 18.278 1.00 31.35 N ATOM 336 CA TYR A 23 5.433 -10.044 17.565 1.00 42.01 C ATOM 337 C TYR A 23 5.523 -11.199 16.572 1.00 52.20 C ATOM 338 O TYR A 23 6.156 -11.082 15.522 1.00 33.15 O ATOM 339 CB TYR A 23 6.598 -10.115 18.553 1.00 23.14 C ATOM 340 CG TYR A 23 6.870 -11.510 19.070 1.00 15.13 C ATOM 341 CD1 TYR A 23 5.907 -12.203 19.794 1.00 11.12 C ATOM 342 CD2 TYR A 23 8.088 -12.134 18.836 1.00 62.41 C ATOM 343 CE1 TYR A 23 6.150 -13.477 20.269 1.00 24.12 C ATOM 344 CE2 TYR A 23 8.340 -13.409 19.306 1.00 52.24 C ATOM 345 CZ TYR A 23 7.368 -14.076 20.022 1.00 40.01 C ATOM 346 OH TYR A 23 7.615 -15.345 20.493 1.00 63.12 O ATOM 0 H TYR A 23 4.248 -10.052 19.294 1.00 31.35 H new ATOM 0 HA TYR A 23 5.492 -9.107 17.011 1.00 42.01 H new ATOM 0 HB2 TYR A 23 7.497 -9.734 18.069 1.00 23.14 H new ATOM 0 HB3 TYR A 23 6.388 -9.458 19.397 1.00 23.14 H new ATOM 0 HD1 TYR A 23 4.952 -11.737 19.989 1.00 11.12 H new ATOM 0 HD2 TYR A 23 8.852 -11.614 18.277 1.00 62.41 H new ATOM 0 HE1 TYR A 23 5.391 -14.001 20.831 1.00 24.12 H new ATOM 0 HE2 TYR A 23 9.293 -13.880 19.114 1.00 52.24 H new ATOM 0 HH TYR A 23 8.506 -15.633 20.205 1.00 63.12 H new ATOM 356 N ARG A 24 4.884 -12.313 16.912 1.00 73.44 N ATOM 357 CA ARG A 24 4.891 -13.491 16.051 1.00 12.55 C ATOM 358 C ARG A 24 3.993 -13.281 14.836 1.00 53.13 C ATOM 359 O ARG A 24 4.241 -13.837 13.766 1.00 14.04 O ATOM 360 CB ARG A 24 4.430 -14.722 16.833 1.00 71.31 C ATOM 361 CG ARG A 24 2.997 -14.627 17.331 1.00 40.23 C ATOM 362 CD ARG A 24 2.123 -15.714 16.725 1.00 23.11 C ATOM 363 NE ARG A 24 1.725 -15.397 15.356 1.00 21.22 N ATOM 364 CZ ARG A 24 2.302 -15.925 14.282 1.00 33.13 C ATOM 365 NH1 ARG A 24 3.296 -16.791 14.418 1.00 61.40 N ATOM 366 NH2 ARG A 24 1.883 -15.587 13.069 1.00 22.03 N ATOM 0 H ARG A 24 4.355 -12.425 17.777 1.00 73.44 H new ATOM 0 HA ARG A 24 5.912 -13.651 15.703 1.00 12.55 H new ATOM 0 HB2 ARG A 24 4.527 -15.603 16.198 1.00 71.31 H new ATOM 0 HB3 ARG A 24 5.093 -14.869 17.686 1.00 71.31 H new ATOM 0 HG2 ARG A 24 2.982 -14.710 18.418 1.00 40.23 H new ATOM 0 HG3 ARG A 24 2.588 -13.648 17.081 1.00 40.23 H new ATOM 0 HD2 ARG A 24 2.663 -16.661 16.735 1.00 23.11 H new ATOM 0 HD3 ARG A 24 1.233 -15.848 17.339 1.00 23.11 H new ATOM 0 HE ARG A 24 0.962 -14.734 15.217 1.00 21.22 H new ATOM 0 HH11 ARG A 24 3.620 -17.054 15.349 1.00 61.40 H new ATOM 0 HH12 ARG A 24 3.737 -17.195 13.592 1.00 61.40 H new ATOM 0 HH21 ARG A 24 1.118 -14.922 12.961 1.00 22.03 H new ATOM 0 HH22 ARG A 24 2.326 -15.993 12.245 1.00 22.03 H new ATOM 380 N GLU A 25 2.949 -12.476 15.009 1.00 43.41 N ATOM 381 CA GLU A 25 2.014 -12.194 13.926 1.00 62.41 C ATOM 382 C GLU A 25 2.624 -11.223 12.920 1.00 54.54 C ATOM 383 O GLU A 25 2.375 -11.320 11.718 1.00 5.22 O ATOM 384 CB GLU A 25 0.711 -11.618 14.484 1.00 5.40 C ATOM 385 CG GLU A 25 -0.512 -12.461 14.169 1.00 71.44 C ATOM 386 CD GLU A 25 -1.607 -11.668 13.483 1.00 52.41 C ATOM 387 OE1 GLU A 25 -2.014 -10.622 14.032 1.00 31.43 O ATOM 388 OE2 GLU A 25 -2.057 -12.091 12.398 1.00 72.11 O ATOM 0 H GLU A 25 2.730 -12.008 15.888 1.00 43.41 H new ATOM 0 HA GLU A 25 1.797 -13.131 13.414 1.00 62.41 H new ATOM 0 HB2 GLU A 25 0.803 -11.516 15.565 1.00 5.40 H new ATOM 0 HB3 GLU A 25 0.565 -10.616 14.081 1.00 5.40 H new ATOM 0 HG2 GLU A 25 -0.219 -13.295 13.531 1.00 71.44 H new ATOM 0 HG3 GLU A 25 -0.902 -12.888 15.093 1.00 71.44 H new ATOM 395 N ALA A 26 3.422 -10.285 13.420 1.00 71.20 N ATOM 396 CA ALA A 26 4.068 -9.296 12.566 1.00 61.52 C ATOM 397 C ALA A 26 5.027 -9.962 11.584 1.00 10.33 C ATOM 398 O ALA A 26 5.071 -9.606 10.406 1.00 43.31 O ATOM 399 CB ALA A 26 4.805 -8.269 13.412 1.00 12.21 C ATOM 0 H ALA A 26 3.637 -10.189 14.413 1.00 71.20 H new ATOM 0 HA ALA A 26 3.294 -8.788 11.990 1.00 61.52 H new ATOM 0 HB1 ALA A 26 5.283 -7.537 12.761 1.00 12.21 H new ATOM 0 HB2 ALA A 26 4.097 -7.763 14.069 1.00 12.21 H new ATOM 0 HB3 ALA A 26 5.564 -8.770 14.013 1.00 12.21 H new ATOM 405 N LEU A 27 5.794 -10.928 12.077 1.00 74.33 N ATOM 406 CA LEU A 27 6.753 -11.644 11.243 1.00 43.54 C ATOM 407 C LEU A 27 6.056 -12.318 10.065 1.00 14.55 C ATOM 408 O LEU A 27 6.645 -12.497 9.000 1.00 44.34 O ATOM 409 CB LEU A 27 7.502 -12.688 12.073 1.00 55.03 C ATOM 410 CG LEU A 27 8.769 -12.203 12.777 1.00 63.22 C ATOM 411 CD1 LEU A 27 9.128 -13.130 13.928 1.00 63.02 C ATOM 412 CD2 LEU A 27 9.923 -12.104 11.789 1.00 20.25 C ATOM 0 H LEU A 27 5.771 -11.234 13.050 1.00 74.33 H new ATOM 0 HA LEU A 27 7.467 -10.920 10.852 1.00 43.54 H new ATOM 0 HB2 LEU A 27 6.820 -13.081 12.827 1.00 55.03 H new ATOM 0 HB3 LEU A 27 7.769 -13.519 11.420 1.00 55.03 H new ATOM 0 HG LEU A 27 8.579 -11.210 13.184 1.00 63.22 H new ATOM 0 HD11 LEU A 27 10.033 -12.769 14.417 1.00 63.02 H new ATOM 0 HD12 LEU A 27 8.310 -13.150 14.648 1.00 63.02 H new ATOM 0 HD13 LEU A 27 9.300 -14.136 13.545 1.00 63.02 H new ATOM 0 HD21 LEU A 27 10.817 -11.757 12.307 1.00 20.25 H new ATOM 0 HD22 LEU A 27 10.114 -13.085 11.353 1.00 20.25 H new ATOM 0 HD23 LEU A 27 9.666 -11.399 10.998 1.00 20.25 H new ATOM 424 N LYS A 28 4.795 -12.688 10.265 1.00 41.34 N ATOM 425 CA LYS A 28 4.014 -13.339 9.219 1.00 2.35 C ATOM 426 C LYS A 28 4.062 -12.535 7.924 1.00 14.31 C ATOM 427 O LYS A 28 4.103 -13.101 6.831 1.00 32.13 O ATOM 428 CB LYS A 28 2.563 -13.512 9.672 1.00 55.21 C ATOM 429 CG LYS A 28 1.897 -14.759 9.117 1.00 61.40 C ATOM 430 CD LYS A 28 0.732 -14.412 8.206 1.00 41.53 C ATOM 431 CE LYS A 28 0.447 -15.529 7.214 1.00 31.23 C ATOM 432 NZ LYS A 28 -0.896 -16.134 7.432 1.00 74.23 N ATOM 0 H LYS A 28 4.292 -12.548 11.141 1.00 41.34 H new ATOM 0 HA LYS A 28 4.449 -14.321 9.032 1.00 2.35 H new ATOM 0 HB2 LYS A 28 2.533 -13.548 10.761 1.00 55.21 H new ATOM 0 HB3 LYS A 28 1.989 -12.637 9.366 1.00 55.21 H new ATOM 0 HG2 LYS A 28 2.629 -15.348 8.564 1.00 61.40 H new ATOM 0 HG3 LYS A 28 1.544 -15.380 9.940 1.00 61.40 H new ATOM 0 HD2 LYS A 28 -0.157 -14.223 8.807 1.00 41.53 H new ATOM 0 HD3 LYS A 28 0.953 -13.492 7.665 1.00 41.53 H new ATOM 0 HE2 LYS A 28 0.509 -15.138 6.199 1.00 31.23 H new ATOM 0 HE3 LYS A 28 1.212 -16.300 7.305 1.00 31.23 H new ATOM 0 HZ1 LYS A 28 -1.053 -16.891 6.736 1.00 74.23 H new ATOM 0 HZ2 LYS A 28 -0.947 -16.530 8.392 1.00 74.23 H new ATOM 0 HZ3 LYS A 28 -1.628 -15.404 7.320 1.00 74.23 H new ATOM 446 N HIS A 29 4.057 -11.212 8.053 1.00 11.24 N ATOM 447 CA HIS A 29 4.102 -10.330 6.892 1.00 15.04 C ATOM 448 C HIS A 29 5.401 -10.519 6.116 1.00 5.14 C ATOM 449 O HIS A 29 5.426 -10.407 4.891 1.00 64.25 O ATOM 450 CB HIS A 29 3.961 -8.871 7.328 1.00 63.11 C ATOM 451 CG HIS A 29 3.701 -7.929 6.193 1.00 71.53 C ATOM 452 ND1 HIS A 29 4.652 -7.058 5.704 1.00 33.51 N ATOM 453 CD2 HIS A 29 2.589 -7.727 5.448 1.00 11.30 C ATOM 454 CE1 HIS A 29 4.135 -6.359 4.709 1.00 23.41 C ATOM 455 NE2 HIS A 29 2.885 -6.746 4.533 1.00 34.13 N ATOM 0 H HIS A 29 4.022 -10.727 8.950 1.00 11.24 H new ATOM 0 HA HIS A 29 3.269 -10.588 6.238 1.00 15.04 H new ATOM 0 HB2 HIS A 29 3.147 -8.793 8.048 1.00 63.11 H new ATOM 0 HB3 HIS A 29 4.872 -8.564 7.842 1.00 63.11 H new ATOM 0 HD2 HIS A 29 1.645 -8.241 5.553 1.00 11.30 H new ATOM 0 HE1 HIS A 29 4.648 -5.600 4.137 1.00 23.41 H new ATOM 0 HE2 HIS A 29 2.243 -6.377 3.832 1.00 34.13 H new ATOM 463 N PHE A 30 6.480 -10.805 6.838 1.00 12.25 N ATOM 464 CA PHE A 30 7.784 -11.007 6.218 1.00 72.31 C ATOM 465 C PHE A 30 7.865 -12.382 5.560 1.00 5.22 C ATOM 466 O PHE A 30 8.436 -12.532 4.479 1.00 22.50 O ATOM 467 CB PHE A 30 8.896 -10.861 7.259 1.00 52.43 C ATOM 468 CG PHE A 30 10.239 -10.555 6.661 1.00 5.12 C ATOM 469 CD1 PHE A 30 10.468 -9.349 6.018 1.00 24.20 C ATOM 470 CD2 PHE A 30 11.274 -11.474 6.742 1.00 14.42 C ATOM 471 CE1 PHE A 30 11.704 -9.065 5.467 1.00 12.44 C ATOM 472 CE2 PHE A 30 12.511 -11.194 6.194 1.00 61.41 C ATOM 473 CZ PHE A 30 12.726 -9.989 5.555 1.00 42.03 C ATOM 0 H PHE A 30 6.477 -10.902 7.853 1.00 12.25 H new ATOM 0 HA PHE A 30 7.915 -10.246 5.448 1.00 72.31 H new ATOM 0 HB2 PHE A 30 8.628 -10.067 7.956 1.00 52.43 H new ATOM 0 HB3 PHE A 30 8.966 -11.783 7.837 1.00 52.43 H new ATOM 0 HD1 PHE A 30 9.672 -8.623 5.946 1.00 24.20 H new ATOM 0 HD2 PHE A 30 11.111 -12.419 7.239 1.00 14.42 H new ATOM 0 HE1 PHE A 30 11.870 -8.121 4.968 1.00 12.44 H new ATOM 0 HE2 PHE A 30 13.310 -11.918 6.265 1.00 61.41 H new ATOM 0 HZ PHE A 30 13.692 -9.770 5.125 1.00 42.03 H new ATOM 483 N LEU A 31 7.292 -13.382 6.220 1.00 13.32 N ATOM 484 CA LEU A 31 7.299 -14.745 5.701 1.00 22.01 C ATOM 485 C LEU A 31 6.659 -14.805 4.318 1.00 52.40 C ATOM 486 O LEU A 31 7.022 -15.641 3.490 1.00 11.53 O ATOM 487 CB LEU A 31 6.559 -15.680 6.659 1.00 63.51 C ATOM 488 CG LEU A 31 7.427 -16.425 7.674 1.00 21.01 C ATOM 489 CD1 LEU A 31 8.349 -17.407 6.969 1.00 24.51 C ATOM 490 CD2 LEU A 31 8.232 -15.441 8.511 1.00 61.33 C ATOM 0 H LEU A 31 6.816 -13.275 7.116 1.00 13.32 H new ATOM 0 HA LEU A 31 8.336 -15.069 5.615 1.00 22.01 H new ATOM 0 HB2 LEU A 31 5.817 -15.096 7.204 1.00 63.51 H new ATOM 0 HB3 LEU A 31 6.014 -16.416 6.068 1.00 63.51 H new ATOM 0 HG LEU A 31 6.772 -16.987 8.340 1.00 21.01 H new ATOM 0 HD11 LEU A 31 8.959 -17.928 7.707 1.00 24.51 H new ATOM 0 HD12 LEU A 31 7.753 -18.132 6.414 1.00 24.51 H new ATOM 0 HD13 LEU A 31 8.997 -16.867 6.279 1.00 24.51 H new ATOM 0 HD21 LEU A 31 8.844 -15.989 9.228 1.00 61.33 H new ATOM 0 HD22 LEU A 31 8.877 -14.851 7.859 1.00 61.33 H new ATOM 0 HD23 LEU A 31 7.553 -14.777 9.046 1.00 61.33 H new ATOM 502 N ASP A 32 5.706 -13.911 4.074 1.00 63.40 N ATOM 503 CA ASP A 32 5.017 -13.860 2.790 1.00 43.13 C ATOM 504 C ASP A 32 5.940 -13.325 1.699 1.00 63.30 C ATOM 505 O ASP A 32 5.773 -13.639 0.521 1.00 30.03 O ATOM 506 CB ASP A 32 3.768 -12.984 2.892 1.00 74.10 C ATOM 507 CG ASP A 32 2.540 -13.657 2.311 1.00 72.24 C ATOM 508 OD1 ASP A 32 2.593 -14.074 1.135 1.00 61.11 O ATOM 509 OD2 ASP A 32 1.525 -13.766 3.031 1.00 23.31 O ATOM 0 H ASP A 32 5.394 -13.212 4.748 1.00 63.40 H new ATOM 0 HA ASP A 32 4.720 -14.875 2.525 1.00 43.13 H new ATOM 0 HB2 ASP A 32 3.584 -12.739 3.938 1.00 74.10 H new ATOM 0 HB3 ASP A 32 3.944 -12.043 2.371 1.00 74.10 H new ATOM 514 N GLY A 33 6.915 -12.515 2.100 1.00 11.41 N ATOM 515 CA GLY A 33 7.849 -11.948 1.145 1.00 61.32 C ATOM 516 C GLY A 33 8.928 -12.931 0.736 1.00 21.44 C ATOM 517 O GLY A 33 9.393 -12.916 -0.403 1.00 35.43 O ATOM 0 H GLY A 33 7.075 -12.241 3.070 1.00 11.41 H new ATOM 0 HA2 GLY A 33 7.305 -11.621 0.259 1.00 61.32 H new ATOM 0 HA3 GLY A 33 8.314 -11.062 1.578 1.00 61.32 H new ATOM 521 N GLY A 34 9.330 -13.789 1.670 1.00 12.31 N ATOM 522 CA GLY A 34 10.359 -14.770 1.382 1.00 25.14 C ATOM 523 C GLY A 34 10.011 -15.645 0.195 1.00 51.14 C ATOM 524 O GLY A 34 10.897 -16.124 -0.512 1.00 41.43 O ATOM 0 H GLY A 34 8.961 -13.821 2.620 1.00 12.31 H new ATOM 0 HA2 GLY A 34 11.301 -14.257 1.187 1.00 25.14 H new ATOM 0 HA3 GLY A 34 10.513 -15.398 2.259 1.00 25.14 H new ATOM 528 N GLU A 35 8.717 -15.855 -0.024 1.00 74.21 N ATOM 529 CA GLU A 35 8.254 -16.681 -1.133 1.00 64.05 C ATOM 530 C GLU A 35 8.282 -15.898 -2.443 1.00 14.11 C ATOM 531 O GLU A 35 8.235 -16.479 -3.527 1.00 4.13 O ATOM 532 CB GLU A 35 6.838 -17.193 -0.862 1.00 2.31 C ATOM 533 CG GLU A 35 6.783 -18.320 0.155 1.00 30.22 C ATOM 534 CD GLU A 35 6.840 -19.691 -0.490 1.00 63.31 C ATOM 535 OE1 GLU A 35 7.500 -19.824 -1.543 1.00 14.24 O ATOM 536 OE2 GLU A 35 6.226 -20.631 0.057 1.00 63.14 O ATOM 0 H GLU A 35 7.971 -15.465 0.552 1.00 74.21 H new ATOM 0 HA GLU A 35 8.928 -17.533 -1.224 1.00 64.05 H new ATOM 0 HB2 GLU A 35 6.223 -16.365 -0.508 1.00 2.31 H new ATOM 0 HB3 GLU A 35 6.400 -17.538 -1.799 1.00 2.31 H new ATOM 0 HG2 GLU A 35 7.614 -18.216 0.852 1.00 30.22 H new ATOM 0 HG3 GLU A 35 5.866 -18.234 0.737 1.00 30.22 H new ATOM 543 N MET A 36 8.356 -14.576 -2.333 1.00 44.52 N ATOM 544 CA MET A 36 8.390 -13.712 -3.508 1.00 63.31 C ATOM 545 C MET A 36 9.748 -13.789 -4.200 1.00 13.32 C ATOM 546 O MET A 36 9.848 -13.603 -5.413 1.00 75.50 O ATOM 547 CB MET A 36 8.087 -12.266 -3.113 1.00 53.35 C ATOM 548 CG MET A 36 6.722 -12.085 -2.468 1.00 24.52 C ATOM 549 SD MET A 36 6.261 -10.351 -2.291 1.00 24.43 S ATOM 550 CE MET A 36 4.547 -10.402 -2.808 1.00 22.34 C ATOM 0 H MET A 36 8.394 -14.079 -1.443 1.00 44.52 H new ATOM 0 HA MET A 36 7.627 -14.058 -4.205 1.00 63.31 H new ATOM 0 HB2 MET A 36 8.855 -11.918 -2.422 1.00 53.35 H new ATOM 0 HB3 MET A 36 8.147 -11.636 -4.000 1.00 53.35 H new ATOM 0 HG2 MET A 36 5.970 -12.597 -3.068 1.00 24.52 H new ATOM 0 HG3 MET A 36 6.723 -12.559 -1.486 1.00 24.52 H new ATOM 0 HE1 MET A 36 4.120 -9.400 -2.753 1.00 22.34 H new ATOM 0 HE2 MET A 36 4.487 -10.766 -3.834 1.00 22.34 H new ATOM 0 HE3 MET A 36 3.989 -11.070 -2.152 1.00 22.34 H new ATOM 560 N ILE A 37 10.789 -14.062 -3.421 1.00 40.00 N ATOM 561 CA ILE A 37 12.140 -14.163 -3.960 1.00 35.31 C ATOM 562 C ILE A 37 12.371 -15.522 -4.612 1.00 74.21 C ATOM 563 O ILE A 37 13.216 -15.663 -5.496 1.00 55.14 O ATOM 564 CB ILE A 37 13.200 -13.945 -2.865 1.00 44.10 C ATOM 565 CG1 ILE A 37 14.514 -13.464 -3.485 1.00 54.45 C ATOM 566 CG2 ILE A 37 13.420 -15.227 -2.077 1.00 34.45 C ATOM 567 CD1 ILE A 37 15.545 -13.040 -2.464 1.00 23.25 C ATOM 0 H ILE A 37 10.723 -14.217 -2.415 1.00 40.00 H new ATOM 0 HA ILE A 37 12.240 -13.380 -4.712 1.00 35.31 H new ATOM 0 HB ILE A 37 12.840 -13.177 -2.180 1.00 44.10 H new ATOM 0 HG12 ILE A 37 14.930 -14.263 -4.099 1.00 54.45 H new ATOM 0 HG13 ILE A 37 14.307 -12.625 -4.150 1.00 54.45 H new ATOM 0 HG21 ILE A 37 14.172 -15.056 -1.307 1.00 34.45 H new ATOM 0 HG22 ILE A 37 12.484 -15.531 -1.609 1.00 34.45 H new ATOM 0 HG23 ILE A 37 13.762 -16.014 -2.750 1.00 34.45 H new ATOM 0 HD11 ILE A 37 16.450 -12.711 -2.975 1.00 23.25 H new ATOM 0 HD12 ILE A 37 15.148 -12.220 -1.865 1.00 23.25 H new ATOM 0 HD13 ILE A 37 15.781 -13.882 -1.814 1.00 23.25 H new ATOM 579 N VAL A 38 11.612 -16.521 -4.171 1.00 5.11 N ATOM 580 CA VAL A 38 11.732 -17.869 -4.713 1.00 40.15 C ATOM 581 C VAL A 38 11.247 -17.925 -6.158 1.00 3.12 C ATOM 582 O VAL A 38 11.863 -18.570 -7.007 1.00 60.21 O ATOM 583 CB VAL A 38 10.932 -18.884 -3.875 1.00 65.25 C ATOM 584 CG1 VAL A 38 11.070 -20.283 -4.457 1.00 50.11 C ATOM 585 CG2 VAL A 38 11.389 -18.854 -2.425 1.00 0.13 C ATOM 0 H VAL A 38 10.908 -16.422 -3.440 1.00 5.11 H new ATOM 0 HA VAL A 38 12.789 -18.132 -4.677 1.00 40.15 H new ATOM 0 HB VAL A 38 9.879 -18.605 -3.906 1.00 65.25 H new ATOM 0 HG11 VAL A 38 10.498 -20.987 -3.852 1.00 50.11 H new ATOM 0 HG12 VAL A 38 10.691 -20.291 -5.479 1.00 50.11 H new ATOM 0 HG13 VAL A 38 12.120 -20.575 -4.458 1.00 50.11 H new ATOM 0 HG21 VAL A 38 10.813 -19.577 -1.847 1.00 0.13 H new ATOM 0 HG22 VAL A 38 12.448 -19.107 -2.372 1.00 0.13 H new ATOM 0 HG23 VAL A 38 11.234 -17.856 -2.015 1.00 0.13 H new ATOM 595 N THR A 39 10.139 -17.244 -6.431 1.00 51.33 N ATOM 596 CA THR A 39 9.570 -17.216 -7.773 1.00 2.12 C ATOM 597 C THR A 39 10.625 -16.845 -8.809 1.00 74.24 C ATOM 598 O THR A 39 10.547 -17.264 -9.964 1.00 45.41 O ATOM 599 CB THR A 39 8.401 -16.217 -7.867 1.00 30.52 C ATOM 600 OG1 THR A 39 7.642 -16.463 -9.056 1.00 12.41 O ATOM 601 CG2 THR A 39 8.912 -14.785 -7.872 1.00 10.33 C ATOM 0 H THR A 39 9.617 -16.704 -5.740 1.00 51.33 H new ATOM 0 HA THR A 39 9.198 -18.219 -7.980 1.00 2.12 H new ATOM 0 HB THR A 39 7.763 -16.354 -6.994 1.00 30.52 H new ATOM 0 HG1 THR A 39 6.900 -15.825 -9.108 1.00 12.41 H new ATOM 0 HG21 THR A 39 8.068 -14.098 -7.939 1.00 10.33 H new ATOM 0 HG22 THR A 39 9.465 -14.593 -6.952 1.00 10.33 H new ATOM 0 HG23 THR A 39 9.570 -14.636 -8.728 1.00 10.33 H new ATOM 609 N ALA A 40 11.610 -16.058 -8.389 1.00 73.23 N ATOM 610 CA ALA A 40 12.681 -15.634 -9.281 1.00 45.42 C ATOM 611 C ALA A 40 13.666 -16.770 -9.536 1.00 41.21 C ATOM 612 O ALA A 40 14.170 -16.929 -10.647 1.00 64.12 O ATOM 613 CB ALA A 40 13.404 -14.427 -8.701 1.00 51.31 C ATOM 0 H ALA A 40 11.688 -15.701 -7.437 1.00 73.23 H new ATOM 0 HA ALA A 40 12.235 -15.354 -10.235 1.00 45.42 H new ATOM 0 HB1 ALA A 40 14.202 -14.121 -9.378 1.00 51.31 H new ATOM 0 HB2 ALA A 40 12.699 -13.605 -8.577 1.00 51.31 H new ATOM 0 HB3 ALA A 40 13.830 -14.689 -7.733 1.00 51.31 H new ATOM 619 N ALA A 41 13.936 -17.556 -8.499 1.00 71.55 N ATOM 620 CA ALA A 41 14.859 -18.679 -8.612 1.00 43.40 C ATOM 621 C ALA A 41 14.223 -19.840 -9.368 1.00 54.21 C ATOM 622 O ALA A 41 14.814 -20.384 -10.300 1.00 4.04 O ATOM 623 CB ALA A 41 15.312 -19.130 -7.231 1.00 60.14 C ATOM 0 H ALA A 41 13.529 -17.436 -7.571 1.00 71.55 H new ATOM 0 HA ALA A 41 15.729 -18.346 -9.178 1.00 43.40 H new ATOM 0 HB1 ALA A 41 16.001 -19.969 -7.330 1.00 60.14 H new ATOM 0 HB2 ALA A 41 15.815 -18.305 -6.726 1.00 60.14 H new ATOM 0 HB3 ALA A 41 14.445 -19.439 -6.647 1.00 60.14 H new ATOM 629 N GLU A 42 13.014 -20.214 -8.960 1.00 21.10 N ATOM 630 CA GLU A 42 12.299 -21.312 -9.599 1.00 71.42 C ATOM 631 C GLU A 42 12.204 -21.095 -11.107 1.00 34.44 C ATOM 632 O GLU A 42 12.601 -21.953 -11.896 1.00 3.05 O ATOM 633 CB GLU A 42 10.896 -21.452 -9.003 1.00 65.44 C ATOM 634 CG GLU A 42 10.894 -21.687 -7.502 1.00 55.31 C ATOM 635 CD GLU A 42 9.534 -22.111 -6.981 1.00 3.15 C ATOM 636 OE1 GLU A 42 8.573 -21.327 -7.121 1.00 50.34 O ATOM 637 OE2 GLU A 42 9.433 -23.228 -6.431 1.00 74.04 O ATOM 0 H GLU A 42 12.510 -19.773 -8.191 1.00 21.10 H new ATOM 0 HA GLU A 42 12.857 -22.230 -9.416 1.00 71.42 H new ATOM 0 HB2 GLU A 42 10.326 -20.549 -9.222 1.00 65.44 H new ATOM 0 HB3 GLU A 42 10.383 -22.280 -9.493 1.00 65.44 H new ATOM 0 HG2 GLU A 42 11.628 -22.454 -7.257 1.00 55.31 H new ATOM 0 HG3 GLU A 42 11.205 -20.774 -6.994 1.00 55.31 H new ATOM 644 N LYS A 43 11.673 -19.943 -11.500 1.00 51.41 N ATOM 645 CA LYS A 43 11.525 -19.610 -12.912 1.00 72.20 C ATOM 646 C LYS A 43 12.871 -19.665 -13.628 1.00 34.40 C ATOM 647 O LYS A 43 12.931 -19.878 -14.838 1.00 71.14 O ATOM 648 CB LYS A 43 10.909 -18.218 -13.067 1.00 41.25 C ATOM 649 CG LYS A 43 10.197 -18.012 -14.393 1.00 63.24 C ATOM 650 CD LYS A 43 10.637 -16.724 -15.068 1.00 52.33 C ATOM 651 CE LYS A 43 9.461 -15.999 -15.705 1.00 11.21 C ATOM 652 NZ LYS A 43 9.843 -15.338 -16.984 1.00 31.52 N ATOM 0 H LYS A 43 11.337 -19.223 -10.860 1.00 51.41 H new ATOM 0 HA LYS A 43 10.862 -20.346 -13.366 1.00 72.20 H new ATOM 0 HB2 LYS A 43 10.202 -18.050 -12.255 1.00 41.25 H new ATOM 0 HB3 LYS A 43 11.694 -17.469 -12.966 1.00 41.25 H new ATOM 0 HG2 LYS A 43 10.400 -18.857 -15.051 1.00 63.24 H new ATOM 0 HG3 LYS A 43 9.120 -17.988 -14.229 1.00 63.24 H new ATOM 0 HD2 LYS A 43 11.114 -16.073 -14.336 1.00 52.33 H new ATOM 0 HD3 LYS A 43 11.384 -16.948 -15.830 1.00 52.33 H new ATOM 0 HE2 LYS A 43 8.654 -16.708 -15.890 1.00 11.21 H new ATOM 0 HE3 LYS A 43 9.076 -15.252 -15.011 1.00 11.21 H new ATOM 0 HZ1 LYS A 43 9.014 -14.855 -17.386 1.00 31.52 H new ATOM 0 HZ2 LYS A 43 10.595 -14.643 -16.804 1.00 31.52 H new ATOM 0 HZ3 LYS A 43 10.186 -16.054 -17.656 1.00 31.52 H new ATOM 666 N GLU A 44 13.947 -19.474 -12.871 1.00 53.34 N ATOM 667 CA GLU A 44 15.291 -19.503 -13.435 1.00 41.43 C ATOM 668 C GLU A 44 15.969 -20.842 -13.158 1.00 53.42 C ATOM 669 O GLU A 44 15.355 -21.759 -12.615 1.00 33.13 O ATOM 670 CB GLU A 44 16.134 -18.363 -12.859 1.00 64.03 C ATOM 671 CG GLU A 44 15.610 -16.981 -13.210 1.00 10.33 C ATOM 672 CD GLU A 44 15.709 -16.678 -14.692 1.00 41.51 C ATOM 673 OE1 GLU A 44 16.836 -16.707 -15.229 1.00 24.30 O ATOM 674 OE2 GLU A 44 14.661 -16.410 -15.315 1.00 75.41 O ATOM 0 H GLU A 44 13.914 -19.298 -11.867 1.00 53.34 H new ATOM 0 HA GLU A 44 15.207 -19.374 -14.514 1.00 41.43 H new ATOM 0 HB2 GLU A 44 16.172 -18.463 -11.774 1.00 64.03 H new ATOM 0 HB3 GLU A 44 17.157 -18.458 -13.224 1.00 64.03 H new ATOM 0 HG2 GLU A 44 14.569 -16.901 -12.895 1.00 10.33 H new ATOM 0 HG3 GLU A 44 16.171 -16.231 -12.652 1.00 10.33 H new ATOM 681 N ALA A 45 17.238 -20.945 -13.537 1.00 24.02 N ATOM 682 CA ALA A 45 18.000 -22.170 -13.328 1.00 63.13 C ATOM 683 C ALA A 45 19.499 -21.910 -13.440 1.00 33.31 C ATOM 684 O ALA A 45 20.213 -21.899 -12.437 1.00 53.42 O ATOM 685 CB ALA A 45 17.571 -23.235 -14.327 1.00 44.32 C ATOM 0 H ALA A 45 17.760 -20.195 -13.990 1.00 24.02 H new ATOM 0 HA ALA A 45 17.794 -22.529 -12.320 1.00 63.13 H new ATOM 0 HB1 ALA A 45 18.148 -24.144 -14.160 1.00 44.32 H new ATOM 0 HB2 ALA A 45 16.510 -23.449 -14.197 1.00 44.32 H new ATOM 0 HB3 ALA A 45 17.747 -22.875 -15.341 1.00 44.32 H new ATOM 691 N SER A 46 19.969 -21.703 -14.666 1.00 22.23 N ATOM 692 CA SER A 46 21.384 -21.448 -14.908 1.00 62.14 C ATOM 693 C SER A 46 21.707 -19.967 -14.736 1.00 54.12 C ATOM 694 O SER A 46 22.269 -19.336 -15.631 1.00 12.24 O ATOM 695 CB SER A 46 21.773 -21.906 -16.316 1.00 33.05 C ATOM 696 OG SER A 46 21.997 -23.305 -16.353 1.00 13.20 O ATOM 0 H SER A 46 19.391 -21.707 -15.506 1.00 22.23 H new ATOM 0 HA SER A 46 21.960 -22.015 -14.176 1.00 62.14 H new ATOM 0 HB2 SER A 46 20.983 -21.642 -17.019 1.00 33.05 H new ATOM 0 HB3 SER A 46 22.673 -21.382 -16.637 1.00 33.05 H new ATOM 0 HG SER A 46 22.242 -23.573 -17.263 1.00 13.20 H new ATOM 702 N GLN A 47 21.346 -19.420 -13.580 1.00 12.21 N ATOM 703 CA GLN A 47 21.596 -18.013 -13.290 1.00 54.22 C ATOM 704 C GLN A 47 22.434 -17.858 -12.026 1.00 11.15 C ATOM 705 O GLN A 47 22.241 -18.581 -11.048 1.00 5.24 O ATOM 706 CB GLN A 47 20.273 -17.260 -13.135 1.00 43.41 C ATOM 707 CG GLN A 47 20.371 -15.782 -13.480 1.00 75.34 C ATOM 708 CD GLN A 47 20.181 -15.515 -14.961 1.00 35.25 C ATOM 709 OE1 GLN A 47 21.079 -15.756 -15.767 1.00 23.10 O ATOM 710 NE2 GLN A 47 19.006 -15.015 -15.326 1.00 42.31 N ATOM 0 H GLN A 47 20.880 -19.929 -12.829 1.00 12.21 H new ATOM 0 HA GLN A 47 22.152 -17.589 -14.126 1.00 54.22 H new ATOM 0 HB2 GLN A 47 19.523 -17.725 -13.774 1.00 43.41 H new ATOM 0 HB3 GLN A 47 19.924 -17.363 -12.107 1.00 43.41 H new ATOM 0 HG2 GLN A 47 19.619 -15.230 -12.916 1.00 75.34 H new ATOM 0 HG3 GLN A 47 21.345 -15.404 -13.168 1.00 75.34 H new ATOM 0 HE21 GLN A 47 18.290 -14.831 -14.624 1.00 42.31 H new ATOM 0 HE22 GLN A 47 18.820 -14.815 -16.309 1.00 42.31 H new ATOM 719 N LYS A 48 23.365 -16.911 -12.052 1.00 5.25 N ATOM 720 CA LYS A 48 24.234 -16.659 -10.907 1.00 73.44 C ATOM 721 C LYS A 48 23.452 -16.030 -9.759 1.00 32.01 C ATOM 722 O LYS A 48 23.714 -16.310 -8.589 1.00 73.52 O ATOM 723 CB LYS A 48 25.392 -15.744 -11.311 1.00 61.55 C ATOM 724 CG LYS A 48 26.151 -16.228 -12.535 1.00 71.20 C ATOM 725 CD LYS A 48 27.634 -15.915 -12.431 1.00 62.01 C ATOM 726 CE LYS A 48 27.915 -14.448 -12.716 1.00 2.54 C ATOM 727 NZ LYS A 48 28.756 -14.269 -13.932 1.00 22.44 N ATOM 0 H LYS A 48 23.538 -16.304 -12.854 1.00 5.25 H new ATOM 0 HA LYS A 48 24.635 -17.615 -10.570 1.00 73.44 H new ATOM 0 HB2 LYS A 48 25.003 -14.745 -11.507 1.00 61.55 H new ATOM 0 HB3 LYS A 48 26.085 -15.658 -10.474 1.00 61.55 H new ATOM 0 HG2 LYS A 48 26.012 -17.303 -12.649 1.00 71.20 H new ATOM 0 HG3 LYS A 48 25.741 -15.757 -13.428 1.00 71.20 H new ATOM 0 HD2 LYS A 48 27.991 -16.168 -11.433 1.00 62.01 H new ATOM 0 HD3 LYS A 48 28.188 -16.536 -13.135 1.00 62.01 H new ATOM 0 HE2 LYS A 48 26.972 -13.916 -12.845 1.00 2.54 H new ATOM 0 HE3 LYS A 48 28.418 -14.001 -11.858 1.00 2.54 H new ATOM 0 HZ1 LYS A 48 28.925 -13.255 -14.091 1.00 22.44 H new ATOM 0 HZ2 LYS A 48 29.666 -14.755 -13.799 1.00 22.44 H new ATOM 0 HZ3 LYS A 48 28.265 -14.672 -14.756 1.00 22.44 H new ATOM 741 N VAL A 49 22.489 -15.179 -10.100 1.00 45.14 N ATOM 742 CA VAL A 49 21.667 -14.512 -9.098 1.00 5.12 C ATOM 743 C VAL A 49 20.638 -15.468 -8.507 1.00 33.22 C ATOM 744 O VAL A 49 20.271 -15.356 -7.337 1.00 31.00 O ATOM 745 CB VAL A 49 20.938 -13.292 -9.691 1.00 71.12 C ATOM 746 CG1 VAL A 49 21.938 -12.292 -10.251 1.00 11.22 C ATOM 747 CG2 VAL A 49 19.953 -13.731 -10.764 1.00 51.11 C ATOM 0 H VAL A 49 22.259 -14.935 -11.063 1.00 45.14 H new ATOM 0 HA VAL A 49 22.340 -14.175 -8.310 1.00 5.12 H new ATOM 0 HB VAL A 49 20.379 -12.802 -8.894 1.00 71.12 H new ATOM 0 HG11 VAL A 49 21.404 -11.437 -10.666 1.00 11.22 H new ATOM 0 HG12 VAL A 49 22.600 -11.955 -9.454 1.00 11.22 H new ATOM 0 HG13 VAL A 49 22.527 -12.767 -11.035 1.00 11.22 H new ATOM 0 HG21 VAL A 49 19.446 -12.857 -11.173 1.00 51.11 H new ATOM 0 HG22 VAL A 49 20.489 -14.245 -11.562 1.00 51.11 H new ATOM 0 HG23 VAL A 49 19.217 -14.406 -10.328 1.00 51.11 H new ATOM 757 N ARG A 50 20.175 -16.409 -9.323 1.00 62.32 N ATOM 758 CA ARG A 50 19.187 -17.386 -8.882 1.00 14.45 C ATOM 759 C ARG A 50 19.634 -18.067 -7.591 1.00 51.43 C ATOM 760 O ARG A 50 18.814 -18.394 -6.734 1.00 62.15 O ATOM 761 CB ARG A 50 18.953 -18.435 -9.970 1.00 50.20 C ATOM 762 CG ARG A 50 18.049 -19.576 -9.532 1.00 42.33 C ATOM 763 CD ARG A 50 18.767 -20.914 -9.605 1.00 30.41 C ATOM 764 NE ARG A 50 19.462 -21.231 -8.360 1.00 72.10 N ATOM 765 CZ ARG A 50 19.976 -22.426 -8.089 1.00 12.44 C ATOM 766 NH1 ARG A 50 19.874 -23.411 -8.970 1.00 52.32 N ATOM 767 NH2 ARG A 50 20.594 -22.636 -6.934 1.00 31.35 N ATOM 0 H ARG A 50 20.469 -16.516 -10.294 1.00 62.32 H new ATOM 0 HA ARG A 50 18.253 -16.858 -8.690 1.00 14.45 H new ATOM 0 HB2 ARG A 50 18.515 -17.950 -10.842 1.00 50.20 H new ATOM 0 HB3 ARG A 50 19.914 -18.843 -10.282 1.00 50.20 H new ATOM 0 HG2 ARG A 50 17.707 -19.400 -8.512 1.00 42.33 H new ATOM 0 HG3 ARG A 50 17.162 -19.603 -10.165 1.00 42.33 H new ATOM 0 HD2 ARG A 50 18.046 -21.701 -9.828 1.00 30.41 H new ATOM 0 HD3 ARG A 50 19.484 -20.896 -10.426 1.00 30.41 H new ATOM 0 HE ARG A 50 19.558 -20.495 -7.660 1.00 72.10 H new ATOM 0 HH11 ARG A 50 19.400 -23.253 -9.859 1.00 52.32 H new ATOM 0 HH12 ARG A 50 20.270 -24.327 -8.759 1.00 52.32 H new ATOM 0 HH21 ARG A 50 20.675 -21.880 -6.254 1.00 31.35 H new ATOM 0 HH22 ARG A 50 20.988 -23.553 -6.726 1.00 31.35 H new ATOM 781 N ASN A 51 20.940 -18.277 -7.461 1.00 52.22 N ATOM 782 CA ASN A 51 21.496 -18.920 -6.276 1.00 41.13 C ATOM 783 C ASN A 51 21.505 -17.960 -5.090 1.00 64.23 C ATOM 784 O ASN A 51 21.366 -18.377 -3.939 1.00 51.54 O ATOM 785 CB ASN A 51 22.917 -19.414 -6.558 1.00 55.10 C ATOM 786 CG ASN A 51 23.346 -20.512 -5.605 1.00 24.23 C ATOM 787 OD1 ASN A 51 23.179 -20.396 -4.391 1.00 33.44 O ATOM 788 ND2 ASN A 51 23.904 -21.586 -6.152 1.00 45.42 N ATOM 0 H ASN A 51 21.633 -18.011 -8.161 1.00 52.22 H new ATOM 0 HA ASN A 51 20.865 -19.773 -6.025 1.00 41.13 H new ATOM 0 HB2 ASN A 51 22.974 -19.783 -7.582 1.00 55.10 H new ATOM 0 HB3 ASN A 51 23.612 -18.578 -6.481 1.00 55.10 H new ATOM 0 HD21 ASN A 51 24.214 -22.357 -5.560 1.00 45.42 H new ATOM 0 HD22 ASN A 51 24.023 -21.640 -7.164 1.00 45.42 H new ATOM 795 N LEU A 52 21.670 -16.674 -5.379 1.00 11.14 N ATOM 796 CA LEU A 52 21.697 -15.654 -4.336 1.00 53.43 C ATOM 797 C LEU A 52 20.287 -15.336 -3.848 1.00 73.44 C ATOM 798 O LEU A 52 20.077 -15.045 -2.670 1.00 73.21 O ATOM 799 CB LEU A 52 22.366 -14.381 -4.858 1.00 25.11 C ATOM 800 CG LEU A 52 23.013 -13.482 -3.803 1.00 72.13 C ATOM 801 CD1 LEU A 52 24.106 -14.233 -3.059 1.00 62.03 C ATOM 802 CD2 LEU A 52 23.572 -12.222 -4.447 1.00 41.21 C ATOM 0 H LEU A 52 21.787 -16.313 -6.326 1.00 11.14 H new ATOM 0 HA LEU A 52 22.273 -16.043 -3.497 1.00 53.43 H new ATOM 0 HB2 LEU A 52 23.130 -14.666 -5.581 1.00 25.11 H new ATOM 0 HB3 LEU A 52 21.620 -13.797 -5.396 1.00 25.11 H new ATOM 0 HG LEU A 52 22.248 -13.190 -3.084 1.00 72.13 H new ATOM 0 HD11 LEU A 52 24.555 -13.577 -2.313 1.00 62.03 H new ATOM 0 HD12 LEU A 52 23.677 -15.105 -2.565 1.00 62.03 H new ATOM 0 HD13 LEU A 52 24.871 -14.556 -3.765 1.00 62.03 H new ATOM 0 HD21 LEU A 52 24.028 -11.594 -3.682 1.00 41.21 H new ATOM 0 HD22 LEU A 52 24.323 -12.495 -5.188 1.00 41.21 H new ATOM 0 HD23 LEU A 52 22.765 -11.673 -4.933 1.00 41.21 H new ATOM 814 N LEU A 53 19.323 -15.397 -4.761 1.00 2.41 N ATOM 815 CA LEU A 53 17.932 -15.118 -4.424 1.00 35.15 C ATOM 816 C LEU A 53 17.430 -16.076 -3.348 1.00 33.12 C ATOM 817 O LEU A 53 16.787 -15.661 -2.383 1.00 33.13 O ATOM 818 CB LEU A 53 17.052 -15.227 -5.670 1.00 62.54 C ATOM 819 CG LEU A 53 16.946 -13.967 -6.529 1.00 55.22 C ATOM 820 CD1 LEU A 53 17.403 -14.250 -7.952 1.00 13.22 C ATOM 821 CD2 LEU A 53 15.520 -13.435 -6.521 1.00 73.11 C ATOM 0 H LEU A 53 19.480 -15.637 -5.740 1.00 2.41 H new ATOM 0 HA LEU A 53 17.876 -14.101 -4.035 1.00 35.15 H new ATOM 0 HB2 LEU A 53 17.436 -16.035 -6.292 1.00 62.54 H new ATOM 0 HB3 LEU A 53 16.048 -15.515 -5.357 1.00 62.54 H new ATOM 0 HG LEU A 53 17.600 -13.205 -6.104 1.00 55.22 H new ATOM 0 HD11 LEU A 53 17.320 -13.341 -8.548 1.00 13.22 H new ATOM 0 HD12 LEU A 53 18.441 -14.584 -7.941 1.00 13.22 H new ATOM 0 HD13 LEU A 53 16.776 -15.028 -8.388 1.00 13.22 H new ATOM 0 HD21 LEU A 53 15.463 -12.538 -7.137 1.00 73.11 H new ATOM 0 HD22 LEU A 53 14.847 -14.193 -6.920 1.00 73.11 H new ATOM 0 HD23 LEU A 53 15.228 -13.192 -5.499 1.00 73.11 H new ATOM 833 N LEU A 54 17.729 -17.359 -3.519 1.00 43.12 N ATOM 834 CA LEU A 54 17.311 -18.377 -2.562 1.00 13.23 C ATOM 835 C LEU A 54 18.096 -18.256 -1.260 1.00 3.32 C ATOM 836 O LEU A 54 17.517 -18.219 -0.174 1.00 32.12 O ATOM 837 CB LEU A 54 17.500 -19.773 -3.157 1.00 32.33 C ATOM 838 CG LEU A 54 16.761 -20.051 -4.466 1.00 54.42 C ATOM 839 CD1 LEU A 54 17.677 -20.750 -5.459 1.00 12.44 C ATOM 840 CD2 LEU A 54 15.514 -20.885 -4.209 1.00 24.12 C ATOM 0 H LEU A 54 18.260 -17.719 -4.312 1.00 43.12 H new ATOM 0 HA LEU A 54 16.254 -18.222 -2.343 1.00 13.23 H new ATOM 0 HB2 LEU A 54 18.565 -19.934 -3.323 1.00 32.33 H new ATOM 0 HB3 LEU A 54 17.178 -20.507 -2.419 1.00 32.33 H new ATOM 0 HG LEU A 54 16.453 -19.098 -4.896 1.00 54.42 H new ATOM 0 HD11 LEU A 54 17.133 -20.940 -6.384 1.00 12.44 H new ATOM 0 HD12 LEU A 54 18.539 -20.116 -5.668 1.00 12.44 H new ATOM 0 HD13 LEU A 54 18.016 -21.696 -5.037 1.00 12.44 H new ATOM 0 HD21 LEU A 54 15.001 -21.073 -5.152 1.00 24.12 H new ATOM 0 HD22 LEU A 54 15.798 -21.834 -3.755 1.00 24.12 H new ATOM 0 HD23 LEU A 54 14.848 -20.346 -3.535 1.00 24.12 H new ATOM 852 N HIS A 55 19.419 -18.192 -1.376 1.00 51.35 N ATOM 853 CA HIS A 55 20.284 -18.072 -0.209 1.00 4.54 C ATOM 854 C HIS A 55 19.864 -16.889 0.659 1.00 25.24 C ATOM 855 O HIS A 55 19.691 -17.025 1.871 1.00 73.23 O ATOM 856 CB HIS A 55 21.742 -17.909 -0.642 1.00 54.21 C ATOM 857 CG HIS A 55 22.691 -17.732 0.503 1.00 71.02 C ATOM 858 ND1 HIS A 55 23.056 -16.496 0.994 1.00 34.32 N ATOM 859 CD2 HIS A 55 23.350 -18.644 1.255 1.00 43.10 C ATOM 860 CE1 HIS A 55 23.900 -16.656 1.998 1.00 55.31 C ATOM 861 NE2 HIS A 55 24.095 -17.950 2.177 1.00 54.32 N ATOM 0 H HIS A 55 19.915 -18.221 -2.267 1.00 51.35 H new ATOM 0 HA HIS A 55 20.187 -18.985 0.379 1.00 4.54 H new ATOM 0 HB2 HIS A 55 22.041 -18.784 -1.219 1.00 54.21 H new ATOM 0 HB3 HIS A 55 21.821 -17.048 -1.305 1.00 54.21 H new ATOM 0 HD2 HIS A 55 23.300 -19.718 1.150 1.00 43.10 H new ATOM 0 HE1 HIS A 55 24.353 -15.863 2.574 1.00 55.31 H new ATOM 0 HE2 HIS A 55 24.700 -18.366 2.885 1.00 54.32 H new ATOM 869 N LYS A 56 19.704 -15.729 0.032 1.00 13.25 N ATOM 870 CA LYS A 56 19.304 -14.522 0.746 1.00 12.13 C ATOM 871 C LYS A 56 17.820 -14.564 1.097 1.00 10.32 C ATOM 872 O LYS A 56 17.366 -13.865 2.002 1.00 3.31 O ATOM 873 CB LYS A 56 19.604 -13.282 -0.099 1.00 2.23 C ATOM 874 CG LYS A 56 21.088 -12.996 -0.254 1.00 71.41 C ATOM 875 CD LYS A 56 21.368 -11.503 -0.290 1.00 32.30 C ATOM 876 CE LYS A 56 21.565 -10.939 1.109 1.00 75.41 C ATOM 877 NZ LYS A 56 22.926 -11.230 1.638 1.00 41.35 N ATOM 0 H LYS A 56 19.845 -15.599 -0.970 1.00 13.25 H new ATOM 0 HA LYS A 56 19.877 -14.471 1.672 1.00 12.13 H new ATOM 0 HB2 LYS A 56 19.162 -13.410 -1.087 1.00 2.23 H new ATOM 0 HB3 LYS A 56 19.121 -12.417 0.356 1.00 2.23 H new ATOM 0 HG2 LYS A 56 21.635 -13.450 0.572 1.00 71.41 H new ATOM 0 HG3 LYS A 56 21.455 -13.458 -1.171 1.00 71.41 H new ATOM 0 HD2 LYS A 56 22.259 -11.313 -0.889 1.00 32.30 H new ATOM 0 HD3 LYS A 56 20.540 -10.988 -0.778 1.00 32.30 H new ATOM 0 HE2 LYS A 56 21.405 -9.861 1.092 1.00 75.41 H new ATOM 0 HE3 LYS A 56 20.817 -11.362 1.780 1.00 75.41 H new ATOM 0 HZ1 LYS A 56 22.938 -11.079 2.667 1.00 41.35 H new ATOM 0 HZ2 LYS A 56 23.175 -12.218 1.430 1.00 41.35 H new ATOM 0 HZ3 LYS A 56 23.617 -10.597 1.187 1.00 41.35 H new ATOM 891 N GLY A 57 17.069 -15.390 0.375 1.00 14.22 N ATOM 892 CA GLY A 57 15.644 -15.508 0.627 1.00 63.12 C ATOM 893 C GLY A 57 15.343 -16.241 1.919 1.00 73.43 C ATOM 894 O GLY A 57 14.613 -15.737 2.773 1.00 43.44 O ATOM 0 H GLY A 57 17.421 -15.979 -0.379 1.00 14.22 H new ATOM 0 HA2 GLY A 57 15.201 -14.513 0.666 1.00 63.12 H new ATOM 0 HA3 GLY A 57 15.173 -16.034 -0.204 1.00 63.12 H new ATOM 898 N LYS A 58 15.903 -17.437 2.063 1.00 24.31 N ATOM 899 CA LYS A 58 15.691 -18.243 3.260 1.00 41.03 C ATOM 900 C LYS A 58 16.518 -17.713 4.426 1.00 2.35 C ATOM 901 O LYS A 58 16.240 -18.019 5.585 1.00 13.33 O ATOM 902 CB LYS A 58 16.054 -19.704 2.986 1.00 34.44 C ATOM 903 CG LYS A 58 17.386 -20.122 3.583 1.00 64.40 C ATOM 904 CD LYS A 58 18.550 -19.449 2.875 1.00 70.02 C ATOM 905 CE LYS A 58 19.575 -20.466 2.395 1.00 15.14 C ATOM 906 NZ LYS A 58 19.141 -21.141 1.141 1.00 32.31 N ATOM 0 H LYS A 58 16.508 -17.870 1.365 1.00 24.31 H new ATOM 0 HA LYS A 58 14.636 -18.181 3.528 1.00 41.03 H new ATOM 0 HB2 LYS A 58 15.269 -20.346 3.386 1.00 34.44 H new ATOM 0 HB3 LYS A 58 16.081 -19.867 1.909 1.00 34.44 H new ATOM 0 HG2 LYS A 58 17.407 -19.867 4.643 1.00 64.40 H new ATOM 0 HG3 LYS A 58 17.493 -21.204 3.513 1.00 64.40 H new ATOM 0 HD2 LYS A 58 18.178 -18.877 2.025 1.00 70.02 H new ATOM 0 HD3 LYS A 58 19.028 -18.741 3.552 1.00 70.02 H new ATOM 0 HE2 LYS A 58 20.530 -19.968 2.228 1.00 15.14 H new ATOM 0 HE3 LYS A 58 19.737 -21.213 3.172 1.00 15.14 H new ATOM 0 HZ1 LYS A 58 19.975 -21.497 0.632 1.00 32.31 H new ATOM 0 HZ2 LYS A 58 18.512 -21.936 1.374 1.00 32.31 H new ATOM 0 HZ3 LYS A 58 18.632 -20.462 0.540 1.00 32.31 H new ATOM 920 N GLU A 59 17.535 -16.916 4.112 1.00 54.33 N ATOM 921 CA GLU A 59 18.401 -16.343 5.135 1.00 32.15 C ATOM 922 C GLU A 59 17.713 -15.177 5.840 1.00 44.34 C ATOM 923 O GLU A 59 17.502 -15.206 7.052 1.00 23.21 O ATOM 924 CB GLU A 59 19.719 -15.874 4.516 1.00 53.22 C ATOM 925 CG GLU A 59 20.621 -15.135 5.490 1.00 33.44 C ATOM 926 CD GLU A 59 20.995 -15.980 6.693 1.00 44.21 C ATOM 927 OE1 GLU A 59 21.733 -16.971 6.514 1.00 64.31 O ATOM 928 OE2 GLU A 59 20.551 -15.650 7.812 1.00 11.20 O ATOM 0 H GLU A 59 17.779 -16.653 3.157 1.00 54.33 H new ATOM 0 HA GLU A 59 18.611 -17.118 5.872 1.00 32.15 H new ATOM 0 HB2 GLU A 59 20.254 -16.739 4.123 1.00 53.22 H new ATOM 0 HB3 GLU A 59 19.501 -15.222 3.670 1.00 53.22 H new ATOM 0 HG2 GLU A 59 21.529 -14.822 4.974 1.00 33.44 H new ATOM 0 HG3 GLU A 59 20.119 -14.229 5.829 1.00 33.44 H new ATOM 935 N VAL A 60 17.367 -14.150 5.070 1.00 12.30 N ATOM 936 CA VAL A 60 16.703 -12.973 5.618 1.00 30.25 C ATOM 937 C VAL A 60 15.493 -13.366 6.458 1.00 31.43 C ATOM 938 O VAL A 60 15.143 -12.682 7.421 1.00 73.40 O ATOM 939 CB VAL A 60 16.250 -12.013 4.503 1.00 74.35 C ATOM 940 CG1 VAL A 60 17.447 -11.515 3.708 1.00 52.15 C ATOM 941 CG2 VAL A 60 15.240 -12.695 3.591 1.00 25.31 C ATOM 0 H VAL A 60 17.536 -14.109 4.065 1.00 12.30 H new ATOM 0 HA VAL A 60 17.431 -12.465 6.250 1.00 30.25 H new ATOM 0 HB VAL A 60 15.766 -11.151 4.963 1.00 74.35 H new ATOM 0 HG11 VAL A 60 17.107 -10.838 2.924 1.00 52.15 H new ATOM 0 HG12 VAL A 60 18.131 -10.987 4.372 1.00 52.15 H new ATOM 0 HG13 VAL A 60 17.962 -12.363 3.256 1.00 52.15 H new ATOM 0 HG21 VAL A 60 14.930 -12.002 2.809 1.00 25.31 H new ATOM 0 HG22 VAL A 60 15.696 -13.575 3.137 1.00 25.31 H new ATOM 0 HG23 VAL A 60 14.370 -12.997 4.173 1.00 25.31 H new ATOM 951 N LEU A 61 14.858 -14.473 6.088 1.00 15.24 N ATOM 952 CA LEU A 61 13.685 -14.959 6.808 1.00 4.11 C ATOM 953 C LEU A 61 14.063 -15.427 8.210 1.00 14.10 C ATOM 954 O LEU A 61 13.483 -14.981 9.200 1.00 64.02 O ATOM 955 CB LEU A 61 13.027 -16.103 6.036 1.00 73.40 C ATOM 956 CG LEU A 61 11.817 -15.727 5.180 1.00 40.21 C ATOM 957 CD1 LEU A 61 12.224 -14.763 4.076 1.00 15.21 C ATOM 958 CD2 LEU A 61 11.171 -16.973 4.591 1.00 5.24 C ATOM 0 H LEU A 61 15.135 -15.051 5.294 1.00 15.24 H new ATOM 0 HA LEU A 61 12.977 -14.135 6.898 1.00 4.11 H new ATOM 0 HB2 LEU A 61 13.778 -16.557 5.389 1.00 73.40 H new ATOM 0 HB3 LEU A 61 12.718 -16.866 6.750 1.00 73.40 H new ATOM 0 HG LEU A 61 11.086 -15.230 5.818 1.00 40.21 H new ATOM 0 HD11 LEU A 61 11.350 -14.506 3.477 1.00 15.21 H new ATOM 0 HD12 LEU A 61 12.639 -13.858 4.518 1.00 15.21 H new ATOM 0 HD13 LEU A 61 12.974 -15.233 3.441 1.00 15.21 H new ATOM 0 HD21 LEU A 61 10.312 -16.686 3.985 1.00 5.24 H new ATOM 0 HD22 LEU A 61 11.895 -17.498 3.968 1.00 5.24 H new ATOM 0 HD23 LEU A 61 10.843 -17.629 5.398 1.00 5.24 H new ATOM 970 N GLU A 62 15.038 -16.327 8.285 1.00 4.45 N ATOM 971 CA GLU A 62 15.493 -16.853 9.567 1.00 64.42 C ATOM 972 C GLU A 62 16.189 -15.769 10.385 1.00 63.14 C ATOM 973 O GLU A 62 16.127 -15.769 11.614 1.00 4.40 O ATOM 974 CB GLU A 62 16.444 -18.033 9.350 1.00 14.11 C ATOM 975 CG GLU A 62 17.683 -17.677 8.546 1.00 55.32 C ATOM 976 CD GLU A 62 18.700 -18.800 8.514 1.00 63.33 C ATOM 977 OE1 GLU A 62 18.944 -19.411 9.575 1.00 30.40 O ATOM 978 OE2 GLU A 62 19.253 -19.068 7.426 1.00 31.43 O ATOM 0 H GLU A 62 15.528 -16.707 7.475 1.00 4.45 H new ATOM 0 HA GLU A 62 14.619 -17.196 10.121 1.00 64.42 H new ATOM 0 HB2 GLU A 62 16.751 -18.424 10.320 1.00 14.11 H new ATOM 0 HB3 GLU A 62 15.907 -18.832 8.839 1.00 14.11 H new ATOM 0 HG2 GLU A 62 17.390 -17.428 7.526 1.00 55.32 H new ATOM 0 HG3 GLU A 62 18.144 -16.786 8.972 1.00 55.32 H new ATOM 985 N TRP A 63 16.851 -14.849 9.693 1.00 2.41 N ATOM 986 CA TRP A 63 17.560 -13.759 10.355 1.00 53.33 C ATOM 987 C TRP A 63 16.583 -12.706 10.868 1.00 72.44 C ATOM 988 O TRP A 63 16.823 -12.072 11.894 1.00 35.04 O ATOM 989 CB TRP A 63 18.562 -13.117 9.394 1.00 52.12 C ATOM 990 CG TRP A 63 19.839 -12.700 10.058 1.00 32.04 C ATOM 991 CD1 TRP A 63 20.655 -13.479 10.828 1.00 35.31 C ATOM 992 CD2 TRP A 63 20.445 -11.404 10.014 1.00 54.54 C ATOM 993 NE1 TRP A 63 21.731 -12.745 11.264 1.00 20.35 N ATOM 994 CE2 TRP A 63 21.626 -11.469 10.778 1.00 61.21 C ATOM 995 CE3 TRP A 63 20.105 -10.194 9.401 1.00 63.42 C ATOM 996 CZ2 TRP A 63 22.466 -10.372 10.945 1.00 42.53 C ATOM 997 CZ3 TRP A 63 20.940 -9.106 9.568 1.00 40.24 C ATOM 998 CH2 TRP A 63 22.110 -9.200 10.334 1.00 75.24 C ATOM 0 H TRP A 63 16.912 -14.835 8.675 1.00 2.41 H new ATOM 0 HA TRP A 63 18.099 -14.174 11.207 1.00 53.33 H new ATOM 0 HB2 TRP A 63 18.790 -13.822 8.594 1.00 52.12 H new ATOM 0 HB3 TRP A 63 18.101 -12.245 8.929 1.00 52.12 H new ATOM 0 HD1 TRP A 63 20.480 -14.519 11.060 1.00 35.31 H new ATOM 0 HE1 TRP A 63 22.486 -13.094 11.854 1.00 20.35 H new ATOM 0 HE3 TRP A 63 19.206 -10.111 8.808 1.00 63.42 H new ATOM 0 HZ2 TRP A 63 23.367 -10.443 11.536 1.00 42.53 H new ATOM 0 HZ3 TRP A 63 20.687 -8.166 9.100 1.00 40.24 H new ATOM 0 HH2 TRP A 63 22.742 -8.332 10.444 1.00 75.24 H new ATOM 1009 N ALA A 64 15.481 -12.526 10.146 1.00 21.44 N ATOM 1010 CA ALA A 64 14.467 -11.552 10.531 1.00 62.34 C ATOM 1011 C ALA A 64 13.793 -11.949 11.840 1.00 42.23 C ATOM 1012 O ALA A 64 13.340 -11.093 12.598 1.00 14.24 O ATOM 1013 CB ALA A 64 13.432 -11.404 9.425 1.00 20.15 C ATOM 0 H ALA A 64 15.268 -13.042 9.292 1.00 21.44 H new ATOM 0 HA ALA A 64 14.960 -10.592 10.684 1.00 62.34 H new ATOM 0 HB1 ALA A 64 12.681 -10.674 9.725 1.00 20.15 H new ATOM 0 HB2 ALA A 64 13.921 -11.066 8.511 1.00 20.15 H new ATOM 0 HB3 ALA A 64 12.952 -12.366 9.245 1.00 20.15 H new ATOM 1019 N GLU A 65 13.731 -13.252 12.097 1.00 12.41 N ATOM 1020 CA GLU A 65 13.110 -13.760 13.315 1.00 61.14 C ATOM 1021 C GLU A 65 14.022 -13.548 14.520 1.00 53.42 C ATOM 1022 O GLU A 65 13.562 -13.516 15.662 1.00 43.41 O ATOM 1023 CB GLU A 65 12.784 -15.247 13.164 1.00 33.53 C ATOM 1024 CG GLU A 65 11.624 -15.524 12.222 1.00 45.13 C ATOM 1025 CD GLU A 65 10.846 -16.768 12.604 1.00 51.14 C ATOM 1026 OE1 GLU A 65 11.460 -17.706 13.153 1.00 24.03 O ATOM 1027 OE2 GLU A 65 9.623 -16.804 12.353 1.00 42.51 O ATOM 0 H GLU A 65 14.102 -13.974 11.479 1.00 12.41 H new ATOM 0 HA GLU A 65 12.185 -13.207 13.480 1.00 61.14 H new ATOM 0 HB2 GLU A 65 13.669 -15.769 12.800 1.00 33.53 H new ATOM 0 HB3 GLU A 65 12.551 -15.661 14.145 1.00 33.53 H new ATOM 0 HG2 GLU A 65 10.951 -14.666 12.218 1.00 45.13 H new ATOM 0 HG3 GLU A 65 12.004 -15.635 11.207 1.00 45.13 H new ATOM 1034 N HIS A 66 15.317 -13.403 14.257 1.00 73.23 N ATOM 1035 CA HIS A 66 16.294 -13.194 15.319 1.00 11.31 C ATOM 1036 C HIS A 66 16.085 -11.839 15.990 1.00 65.15 C ATOM 1037 O HIS A 66 16.007 -11.747 17.215 1.00 1.23 O ATOM 1038 CB HIS A 66 17.714 -13.286 14.760 1.00 20.01 C ATOM 1039 CG HIS A 66 18.498 -14.440 15.304 1.00 21.24 C ATOM 1040 ND1 HIS A 66 19.424 -14.310 16.318 1.00 42.22 N ATOM 1041 CD2 HIS A 66 18.489 -15.752 14.972 1.00 72.22 C ATOM 1042 CE1 HIS A 66 19.952 -15.491 16.584 1.00 71.33 C ATOM 1043 NE2 HIS A 66 19.401 -16.384 15.781 1.00 11.10 N ATOM 0 H HIS A 66 15.714 -13.426 13.318 1.00 73.23 H new ATOM 0 HA HIS A 66 16.155 -13.975 16.066 1.00 11.31 H new ATOM 0 HB2 HIS A 66 17.664 -13.371 13.675 1.00 20.01 H new ATOM 0 HB3 HIS A 66 18.244 -12.360 14.983 1.00 20.01 H new ATOM 0 HD2 HIS A 66 17.878 -16.216 14.212 1.00 72.22 H new ATOM 0 HE1 HIS A 66 20.706 -15.693 17.331 1.00 71.33 H new ATOM 0 HE2 HIS A 66 19.618 -17.381 15.765 1.00 11.10 H new ATOM 1051 N LEU A 67 15.997 -10.791 15.179 1.00 43.44 N ATOM 1052 CA LEU A 67 15.799 -9.440 15.693 1.00 33.02 C ATOM 1053 C LEU A 67 14.393 -9.275 16.262 1.00 60.30 C ATOM 1054 O LEU A 67 14.181 -8.521 17.211 1.00 23.33 O ATOM 1055 CB LEU A 67 16.037 -8.411 14.587 1.00 62.34 C ATOM 1056 CG LEU A 67 14.893 -8.220 13.590 1.00 2.32 C ATOM 1057 CD1 LEU A 67 13.993 -7.074 14.025 1.00 41.41 C ATOM 1058 CD2 LEU A 67 15.440 -7.970 12.192 1.00 33.41 C ATOM 0 H LEU A 67 16.060 -10.850 14.163 1.00 43.44 H new ATOM 0 HA LEU A 67 16.518 -9.274 16.495 1.00 33.02 H new ATOM 0 HB2 LEU A 67 16.250 -7.449 15.053 1.00 62.34 H new ATOM 0 HB3 LEU A 67 16.930 -8.702 14.034 1.00 62.34 H new ATOM 0 HG LEU A 67 14.299 -9.134 13.568 1.00 2.32 H new ATOM 0 HD11 LEU A 67 13.185 -6.952 13.304 1.00 41.41 H new ATOM 0 HD12 LEU A 67 13.574 -7.293 15.007 1.00 41.41 H new ATOM 0 HD13 LEU A 67 14.575 -6.154 14.076 1.00 41.41 H new ATOM 0 HD21 LEU A 67 14.612 -7.836 11.496 1.00 33.41 H new ATOM 0 HD22 LEU A 67 16.057 -7.072 12.198 1.00 33.41 H new ATOM 0 HD23 LEU A 67 16.043 -8.823 11.879 1.00 33.41 H new ATOM 1070 N ALA A 68 13.436 -9.987 15.676 1.00 30.42 N ATOM 1071 CA ALA A 68 12.051 -9.923 16.127 1.00 24.43 C ATOM 1072 C ALA A 68 11.910 -10.469 17.544 1.00 32.31 C ATOM 1073 O ALA A 68 11.092 -9.986 18.326 1.00 52.22 O ATOM 1074 CB ALA A 68 11.149 -10.690 15.172 1.00 40.13 C ATOM 0 H ALA A 68 13.594 -10.615 14.888 1.00 30.42 H new ATOM 0 HA ALA A 68 11.746 -8.877 16.136 1.00 24.43 H new ATOM 0 HB1 ALA A 68 10.118 -10.634 15.521 1.00 40.13 H new ATOM 0 HB2 ALA A 68 11.219 -10.254 14.176 1.00 40.13 H new ATOM 0 HB3 ALA A 68 11.463 -11.733 15.134 1.00 40.13 H new ATOM 1080 N GLU A 69 12.712 -11.479 17.867 1.00 34.32 N ATOM 1081 CA GLU A 69 12.673 -12.091 19.190 1.00 22.12 C ATOM 1082 C GLU A 69 13.467 -11.262 20.196 1.00 30.41 C ATOM 1083 O GLU A 69 13.251 -11.360 21.404 1.00 13.51 O ATOM 1084 CB GLU A 69 13.230 -13.515 19.134 1.00 34.43 C ATOM 1085 CG GLU A 69 12.276 -14.517 18.505 1.00 30.12 C ATOM 1086 CD GLU A 69 11.678 -15.471 19.521 1.00 1.12 C ATOM 1087 OE1 GLU A 69 12.399 -15.862 20.463 1.00 2.41 O ATOM 1088 OE2 GLU A 69 10.490 -15.827 19.375 1.00 42.44 O ATOM 0 H GLU A 69 13.396 -11.890 17.231 1.00 34.32 H new ATOM 0 HA GLU A 69 11.633 -12.128 19.515 1.00 22.12 H new ATOM 0 HB2 GLU A 69 14.162 -13.510 18.569 1.00 34.43 H new ATOM 0 HB3 GLU A 69 13.472 -13.842 20.145 1.00 34.43 H new ATOM 0 HG2 GLU A 69 11.473 -13.980 18.000 1.00 30.12 H new ATOM 0 HG3 GLU A 69 12.806 -15.089 17.743 1.00 30.12 H new ATOM 1095 N TRP A 70 14.386 -10.449 19.689 1.00 51.12 N ATOM 1096 CA TRP A 70 15.213 -9.603 20.542 1.00 31.44 C ATOM 1097 C TRP A 70 14.369 -8.919 21.612 1.00 1.10 C ATOM 1098 O TRP A 70 14.815 -8.738 22.746 1.00 60.35 O ATOM 1099 CB TRP A 70 15.943 -8.554 19.702 1.00 31.23 C ATOM 1100 CG TRP A 70 16.887 -7.706 20.500 1.00 34.11 C ATOM 1101 CD1 TRP A 70 16.602 -6.521 21.116 1.00 21.15 C ATOM 1102 CD2 TRP A 70 18.267 -7.977 20.765 1.00 21.34 C ATOM 1103 NE1 TRP A 70 17.723 -6.039 21.749 1.00 33.31 N ATOM 1104 CE2 TRP A 70 18.757 -6.915 21.549 1.00 2.45 C ATOM 1105 CE3 TRP A 70 19.136 -9.015 20.419 1.00 63.11 C ATOM 1106 CZ2 TRP A 70 20.077 -6.862 21.990 1.00 41.13 C ATOM 1107 CZ3 TRP A 70 20.446 -8.961 20.856 1.00 20.23 C ATOM 1108 CH2 TRP A 70 20.906 -7.891 21.636 1.00 61.34 C ATOM 0 H TRP A 70 14.578 -10.357 18.691 1.00 51.12 H new ATOM 0 HA TRP A 70 15.949 -10.237 21.037 1.00 31.44 H new ATOM 0 HB2 TRP A 70 16.498 -9.056 18.909 1.00 31.23 H new ATOM 0 HB3 TRP A 70 15.208 -7.910 19.218 1.00 31.23 H new ATOM 0 HD1 TRP A 70 15.638 -6.034 21.107 1.00 21.15 H new ATOM 0 HE1 TRP A 70 17.776 -5.170 22.281 1.00 33.31 H new ATOM 0 HE3 TRP A 70 18.790 -9.845 19.821 1.00 63.11 H new ATOM 0 HZ2 TRP A 70 20.433 -6.038 22.590 1.00 41.13 H new ATOM 0 HZ3 TRP A 70 21.127 -9.757 20.592 1.00 20.23 H new ATOM 0 HH2 TRP A 70 21.935 -7.879 21.964 1.00 61.34 H new ATOM 1119 N ILE A 71 13.149 -8.541 21.245 1.00 45.50 N ATOM 1120 CA ILE A 71 12.244 -7.877 22.175 1.00 72.23 C ATOM 1121 C ILE A 71 12.135 -8.652 23.483 1.00 35.53 C ATOM 1122 O ILE A 71 12.174 -8.070 24.568 1.00 62.10 O ATOM 1123 CB ILE A 71 10.837 -7.712 21.570 1.00 62.54 C ATOM 1124 CG1 ILE A 71 10.302 -9.064 21.092 1.00 44.04 C ATOM 1125 CG2 ILE A 71 10.868 -6.713 20.423 1.00 74.11 C ATOM 1126 CD1 ILE A 71 9.053 -8.955 20.246 1.00 41.53 C ATOM 0 H ILE A 71 12.765 -8.683 20.311 1.00 45.50 H new ATOM 0 HA ILE A 71 12.663 -6.891 22.374 1.00 72.23 H new ATOM 0 HB ILE A 71 10.168 -7.330 22.341 1.00 62.54 H new ATOM 0 HG12 ILE A 71 11.078 -9.570 20.517 1.00 44.04 H new ATOM 0 HG13 ILE A 71 10.090 -9.689 21.960 1.00 44.04 H new ATOM 0 HG21 ILE A 71 9.867 -6.607 20.006 1.00 74.11 H new ATOM 0 HG22 ILE A 71 11.212 -5.746 20.792 1.00 74.11 H new ATOM 0 HG23 ILE A 71 11.548 -7.069 19.649 1.00 74.11 H new ATOM 0 HD11 ILE A 71 8.731 -9.951 19.943 1.00 41.53 H new ATOM 0 HD12 ILE A 71 8.262 -8.478 20.825 1.00 41.53 H new ATOM 0 HD13 ILE A 71 9.265 -8.357 19.360 1.00 41.53 H new ATOM 1138 N LEU A 72 11.998 -9.969 23.375 1.00 64.45 N ATOM 1139 CA LEU A 72 11.885 -10.827 24.550 1.00 44.54 C ATOM 1140 C LEU A 72 13.230 -10.959 25.258 1.00 15.24 C ATOM 1141 O LEU A 72 13.299 -10.928 26.487 1.00 64.15 O ATOM 1142 CB LEU A 72 11.369 -12.209 24.149 1.00 61.54 C ATOM 1143 CG LEU A 72 10.098 -12.231 23.298 1.00 3.04 C ATOM 1144 CD1 LEU A 72 10.366 -12.890 21.954 1.00 24.24 C ATOM 1145 CD2 LEU A 72 8.977 -12.951 24.033 1.00 0.24 C ATOM 0 H LEU A 72 11.962 -10.467 22.485 1.00 64.45 H new ATOM 0 HA LEU A 72 11.176 -10.368 25.239 1.00 44.54 H new ATOM 0 HB2 LEU A 72 12.158 -12.724 23.601 1.00 61.54 H new ATOM 0 HB3 LEU A 72 11.184 -12.783 25.057 1.00 61.54 H new ATOM 0 HG LEU A 72 9.786 -11.202 23.119 1.00 3.04 H new ATOM 0 HD11 LEU A 72 9.450 -12.896 21.363 1.00 24.24 H new ATOM 0 HD12 LEU A 72 11.137 -12.332 21.423 1.00 24.24 H new ATOM 0 HD13 LEU A 72 10.703 -13.915 22.112 1.00 24.24 H new ATOM 0 HD21 LEU A 72 8.081 -12.957 23.413 1.00 0.24 H new ATOM 0 HD22 LEU A 72 9.280 -13.977 24.243 1.00 0.24 H new ATOM 0 HD23 LEU A 72 8.766 -12.436 24.970 1.00 0.24 H new ATOM 1157 N GLU A 73 14.294 -11.104 24.475 1.00 0.14 N ATOM 1158 CA GLU A 73 15.636 -11.239 25.029 1.00 21.23 C ATOM 1159 C GLU A 73 15.942 -10.100 25.998 1.00 63.33 C ATOM 1160 O GLU A 73 16.699 -10.270 26.954 1.00 21.33 O ATOM 1161 CB GLU A 73 16.675 -11.262 23.907 1.00 44.15 C ATOM 1162 CG GLU A 73 17.813 -12.239 24.150 1.00 3.21 C ATOM 1163 CD GLU A 73 18.013 -13.201 22.995 1.00 23.25 C ATOM 1164 OE1 GLU A 73 17.200 -14.138 22.855 1.00 13.14 O ATOM 1165 OE2 GLU A 73 18.984 -13.017 22.232 1.00 40.34 O ATOM 0 H GLU A 73 14.253 -11.131 23.456 1.00 0.14 H new ATOM 0 HA GLU A 73 15.682 -12.181 25.576 1.00 21.23 H new ATOM 0 HB2 GLU A 73 16.180 -11.520 22.971 1.00 44.15 H new ATOM 0 HB3 GLU A 73 17.087 -10.260 23.785 1.00 44.15 H new ATOM 0 HG2 GLU A 73 18.735 -11.682 24.318 1.00 3.21 H new ATOM 0 HG3 GLU A 73 17.612 -12.806 25.059 1.00 3.21 H new ATOM 1172 N HIS A 74 15.349 -8.938 25.742 1.00 23.42 N ATOM 1173 CA HIS A 74 15.558 -7.771 26.591 1.00 41.53 C ATOM 1174 C HIS A 74 17.045 -7.455 26.725 1.00 71.40 C ATOM 1175 O HIS A 74 17.559 -6.549 26.068 1.00 34.13 O ATOM 1176 CB HIS A 74 14.947 -8.002 27.973 1.00 22.40 C ATOM 1177 CG HIS A 74 14.410 -6.757 28.607 1.00 13.50 C ATOM 1178 ND1 HIS A 74 15.205 -5.846 29.270 1.00 23.22 N ATOM 1179 CD2 HIS A 74 13.148 -6.271 28.675 1.00 61.01 C ATOM 1180 CE1 HIS A 74 14.456 -4.856 29.720 1.00 11.42 C ATOM 1181 NE2 HIS A 74 13.203 -5.089 29.372 1.00 65.12 N ATOM 0 H HIS A 74 14.721 -8.780 24.954 1.00 23.42 H new ATOM 0 HA HIS A 74 15.065 -6.920 26.122 1.00 41.53 H new ATOM 0 HB2 HIS A 74 14.142 -8.732 27.888 1.00 22.40 H new ATOM 0 HB3 HIS A 74 15.703 -8.436 28.627 1.00 22.40 H new ATOM 0 HD2 HIS A 74 12.263 -6.728 28.258 1.00 61.01 H new ATOM 0 HE1 HIS A 74 14.808 -4.001 30.278 1.00 11.42 H new ATOM 0 HE2 HIS A 74 12.406 -4.489 29.586 1.00 65.12 H new