USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -2.91 K(o=-2.9,f=-6.4!) USER MOD Single : A 23 TYR OH : rot -72:sc= 0.432 USER MOD Single : A 28 LYS NZ :NH3+ 161:sc= -0.0315 (180deg=-0.268) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) 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 -51:sc= 0.00337 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.7 K(o=-0.7,f=-0.054) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00323) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.22) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 25 N THR A 3 7.570 -5.477 -3.843 1.00 4.01 N ATOM 26 CA THR A 3 9.016 -5.594 -3.984 1.00 22.22 C ATOM 27 C THR A 3 9.655 -6.100 -2.696 1.00 30.35 C ATOM 28 O THR A 3 9.166 -5.824 -1.599 1.00 64.25 O ATOM 29 CB THR A 3 9.655 -4.245 -4.364 1.00 72.25 C ATOM 30 OG1 THR A 3 11.078 -4.383 -4.450 1.00 35.34 O ATOM 31 CG2 THR A 3 9.305 -3.173 -3.343 1.00 75.44 C ATOM 0 HA THR A 3 9.198 -6.312 -4.784 1.00 22.22 H new ATOM 0 HB THR A 3 9.261 -3.943 -5.334 1.00 72.25 H new ATOM 0 HG1 THR A 3 11.476 -3.521 -4.694 1.00 35.34 H new ATOM 0 HG21 THR A 3 9.768 -2.230 -3.633 1.00 75.44 H new ATOM 0 HG22 THR A 3 8.223 -3.049 -3.302 1.00 75.44 H new ATOM 0 HG23 THR A 3 9.673 -3.471 -2.361 1.00 75.44 H new ATOM 39 N ILE A 4 10.749 -6.841 -2.835 1.00 20.35 N ATOM 40 CA ILE A 4 11.455 -7.384 -1.681 1.00 22.04 C ATOM 41 C ILE A 4 11.758 -6.294 -0.659 1.00 2.53 C ATOM 42 O ILE A 4 11.591 -6.492 0.545 1.00 60.43 O ATOM 43 CB ILE A 4 12.773 -8.064 -2.096 1.00 5.52 C ATOM 44 CG1 ILE A 4 12.497 -9.207 -3.075 1.00 2.43 C ATOM 45 CG2 ILE A 4 13.514 -8.576 -0.870 1.00 21.23 C ATOM 46 CD1 ILE A 4 11.556 -10.257 -2.527 1.00 42.32 C ATOM 0 H ILE A 4 11.166 -7.079 -3.735 1.00 20.35 H new ATOM 0 HA ILE A 4 10.798 -8.128 -1.231 1.00 22.04 H new ATOM 0 HB ILE A 4 13.403 -7.328 -2.595 1.00 5.52 H new ATOM 0 HG12 ILE A 4 12.075 -8.795 -3.992 1.00 2.43 H new ATOM 0 HG13 ILE A 4 13.441 -9.681 -3.343 1.00 2.43 H new ATOM 0 HG21 ILE A 4 14.443 -9.054 -1.180 1.00 21.23 H new ATOM 0 HG22 ILE A 4 13.739 -7.741 -0.206 1.00 21.23 H new ATOM 0 HG23 ILE A 4 12.891 -9.300 -0.345 1.00 21.23 H new ATOM 0 HD11 ILE A 4 11.406 -11.036 -3.274 1.00 42.32 H new ATOM 0 HD12 ILE A 4 11.985 -10.696 -1.626 1.00 42.32 H new ATOM 0 HD13 ILE A 4 10.598 -9.797 -2.285 1.00 42.32 H new ATOM 58 N ASP A 5 12.203 -5.141 -1.146 1.00 50.35 N ATOM 59 CA ASP A 5 12.527 -4.016 -0.276 1.00 73.31 C ATOM 60 C ASP A 5 11.367 -3.706 0.665 1.00 53.44 C ATOM 61 O ASP A 5 11.570 -3.227 1.781 1.00 64.44 O ATOM 62 CB ASP A 5 12.869 -2.780 -1.110 1.00 33.43 C ATOM 63 CG ASP A 5 13.705 -1.777 -0.341 1.00 1.32 C ATOM 64 OD1 ASP A 5 14.946 -1.919 -0.334 1.00 40.04 O ATOM 65 OD2 ASP A 5 13.119 -0.848 0.254 1.00 70.41 O ATOM 0 H ASP A 5 12.348 -4.961 -2.139 1.00 50.35 H new ATOM 0 HA ASP A 5 13.395 -4.290 0.324 1.00 73.31 H new ATOM 0 HB2 ASP A 5 13.408 -3.088 -2.006 1.00 33.43 H new ATOM 0 HB3 ASP A 5 11.947 -2.302 -1.441 1.00 33.43 H new ATOM 70 N ASP A 6 10.150 -3.980 0.206 1.00 4.40 N ATOM 71 CA ASP A 6 8.957 -3.729 1.006 1.00 22.43 C ATOM 72 C ASP A 6 8.979 -4.558 2.287 1.00 15.32 C ATOM 73 O ASP A 6 8.539 -4.100 3.342 1.00 45.44 O ATOM 74 CB ASP A 6 7.699 -4.049 0.198 1.00 33.52 C ATOM 75 CG ASP A 6 6.457 -3.406 0.782 1.00 54.52 C ATOM 76 OD1 ASP A 6 6.553 -2.256 1.262 1.00 62.42 O ATOM 77 OD2 ASP A 6 5.388 -4.050 0.758 1.00 74.21 O ATOM 0 H ASP A 6 9.964 -4.376 -0.716 1.00 4.40 H new ATOM 0 HA ASP A 6 8.946 -2.673 1.277 1.00 22.43 H new ATOM 0 HB2 ASP A 6 7.833 -3.707 -0.828 1.00 33.52 H new ATOM 0 HB3 ASP A 6 7.561 -5.130 0.159 1.00 33.52 H new ATOM 82 N ALA A 7 9.491 -5.780 2.187 1.00 1.21 N ATOM 83 CA ALA A 7 9.570 -6.672 3.337 1.00 4.54 C ATOM 84 C ALA A 7 10.488 -6.100 4.413 1.00 62.12 C ATOM 85 O ALA A 7 10.124 -6.041 5.587 1.00 34.43 O ATOM 86 CB ALA A 7 10.053 -8.048 2.906 1.00 63.23 C ATOM 0 H ALA A 7 9.857 -6.175 1.321 1.00 1.21 H new ATOM 0 HA ALA A 7 8.570 -6.767 3.761 1.00 4.54 H new ATOM 0 HB1 ALA A 7 10.107 -8.703 3.775 1.00 63.23 H new ATOM 0 HB2 ALA A 7 9.357 -8.467 2.179 1.00 63.23 H new ATOM 0 HB3 ALA A 7 11.041 -7.962 2.455 1.00 63.23 H new ATOM 92 N PHE A 8 11.681 -5.680 4.004 1.00 20.41 N ATOM 93 CA PHE A 8 12.652 -5.115 4.933 1.00 2.15 C ATOM 94 C PHE A 8 12.101 -3.856 5.597 1.00 60.20 C ATOM 95 O PHE A 8 12.421 -3.558 6.748 1.00 55.42 O ATOM 96 CB PHE A 8 13.958 -4.791 4.205 1.00 22.01 C ATOM 97 CG PHE A 8 14.442 -5.903 3.320 1.00 65.34 C ATOM 98 CD1 PHE A 8 14.421 -7.217 3.760 1.00 1.32 C ATOM 99 CD2 PHE A 8 14.920 -5.635 2.047 1.00 73.44 C ATOM 100 CE1 PHE A 8 14.866 -8.243 2.948 1.00 53.23 C ATOM 101 CE2 PHE A 8 15.365 -6.657 1.230 1.00 61.24 C ATOM 102 CZ PHE A 8 15.339 -7.962 1.681 1.00 23.31 C ATOM 0 H PHE A 8 11.998 -5.720 3.035 1.00 20.41 H new ATOM 0 HA PHE A 8 12.850 -5.856 5.707 1.00 2.15 H new ATOM 0 HB2 PHE A 8 13.816 -3.894 3.603 1.00 22.01 H new ATOM 0 HB3 PHE A 8 14.728 -4.562 4.942 1.00 22.01 H new ATOM 0 HD1 PHE A 8 14.052 -7.442 4.750 1.00 1.32 H new ATOM 0 HD2 PHE A 8 14.945 -4.616 1.689 1.00 73.44 H new ATOM 0 HE1 PHE A 8 14.844 -9.263 3.303 1.00 53.23 H new ATOM 0 HE2 PHE A 8 15.733 -6.435 0.239 1.00 61.24 H new ATOM 0 HZ PHE A 8 15.688 -8.761 1.044 1.00 23.31 H new ATOM 112 N ARG A 9 11.272 -3.122 4.862 1.00 11.03 N ATOM 113 CA ARG A 9 10.677 -1.895 5.378 1.00 44.42 C ATOM 114 C ARG A 9 9.514 -2.206 6.315 1.00 51.13 C ATOM 115 O ARG A 9 9.272 -1.484 7.281 1.00 0.51 O ATOM 116 CB ARG A 9 10.196 -1.013 4.224 1.00 14.45 C ATOM 117 CG ARG A 9 11.322 -0.315 3.480 1.00 51.32 C ATOM 118 CD ARG A 9 10.789 0.751 2.535 1.00 13.12 C ATOM 119 NE ARG A 9 10.890 2.091 3.108 1.00 32.43 N ATOM 120 CZ ARG A 9 10.560 3.197 2.452 1.00 14.43 C ATOM 121 NH1 ARG A 9 10.109 3.125 1.207 1.00 21.24 N ATOM 122 NH2 ARG A 9 10.679 4.380 3.042 1.00 43.23 N ATOM 0 H ARG A 9 10.997 -3.355 3.908 1.00 11.03 H new ATOM 0 HA ARG A 9 11.441 -1.359 5.942 1.00 44.42 H new ATOM 0 HB2 ARG A 9 9.632 -1.626 3.520 1.00 14.45 H new ATOM 0 HB3 ARG A 9 9.509 -0.262 4.614 1.00 14.45 H new ATOM 0 HG2 ARG A 9 12.005 0.141 4.197 1.00 51.32 H new ATOM 0 HG3 ARG A 9 11.896 -1.049 2.915 1.00 51.32 H new ATOM 0 HD2 ARG A 9 11.344 0.715 1.598 1.00 13.12 H new ATOM 0 HD3 ARG A 9 9.747 0.536 2.297 1.00 13.12 H new ATOM 0 HE ARG A 9 11.233 2.182 4.064 1.00 32.43 H new ATOM 0 HH11 ARG A 9 10.015 2.218 0.750 1.00 21.24 H new ATOM 0 HH12 ARG A 9 9.856 3.977 0.706 1.00 21.24 H new ATOM 0 HH21 ARG A 9 11.024 4.440 4.000 1.00 43.23 H new ATOM 0 HH22 ARG A 9 10.425 5.229 2.537 1.00 43.23 H new ATOM 136 N ALA A 10 8.797 -3.285 6.021 1.00 72.52 N ATOM 137 CA ALA A 10 7.660 -3.693 6.837 1.00 21.12 C ATOM 138 C ALA A 10 8.123 -4.344 8.136 1.00 34.41 C ATOM 139 O ALA A 10 7.412 -4.320 9.141 1.00 15.21 O ATOM 140 CB ALA A 10 6.764 -4.644 6.057 1.00 23.03 C ATOM 0 H ALA A 10 8.983 -3.893 5.223 1.00 72.52 H new ATOM 0 HA ALA A 10 7.088 -2.801 7.092 1.00 21.12 H new ATOM 0 HB1 ALA A 10 5.919 -4.940 6.679 1.00 23.03 H new ATOM 0 HB2 ALA A 10 6.397 -4.145 5.160 1.00 23.03 H new ATOM 0 HB3 ALA A 10 7.333 -5.529 5.772 1.00 23.03 H new ATOM 146 N ILE A 11 9.317 -4.927 8.108 1.00 14.31 N ATOM 147 CA ILE A 11 9.873 -5.584 9.284 1.00 61.21 C ATOM 148 C ILE A 11 9.815 -4.671 10.504 1.00 41.34 C ATOM 149 O ILE A 11 9.726 -5.139 11.638 1.00 62.21 O ATOM 150 CB ILE A 11 11.333 -6.017 9.049 1.00 15.43 C ATOM 151 CG1 ILE A 11 11.688 -7.200 9.952 1.00 42.30 C ATOM 152 CG2 ILE A 11 12.277 -4.850 9.299 1.00 61.33 C ATOM 153 CD1 ILE A 11 11.026 -8.495 9.539 1.00 33.31 C ATOM 0 H ILE A 11 9.917 -4.958 7.284 1.00 14.31 H new ATOM 0 HA ILE A 11 9.265 -6.470 9.468 1.00 61.21 H new ATOM 0 HB ILE A 11 11.442 -6.331 8.011 1.00 15.43 H new ATOM 0 HG12 ILE A 11 12.769 -7.337 9.949 1.00 42.30 H new ATOM 0 HG13 ILE A 11 11.399 -6.964 10.976 1.00 42.30 H new ATOM 0 HG21 ILE A 11 13.305 -5.171 9.129 1.00 61.33 H new ATOM 0 HG22 ILE A 11 12.034 -4.034 8.619 1.00 61.33 H new ATOM 0 HG23 ILE A 11 12.169 -4.509 10.328 1.00 61.33 H new ATOM 0 HD11 ILE A 11 11.323 -9.290 10.223 1.00 33.31 H new ATOM 0 HD12 ILE A 11 9.943 -8.376 9.569 1.00 33.31 H new ATOM 0 HD13 ILE A 11 11.334 -8.754 8.526 1.00 33.31 H new ATOM 165 N GLU A 12 9.864 -3.365 10.261 1.00 43.41 N ATOM 166 CA GLU A 12 9.816 -2.385 11.340 1.00 23.43 C ATOM 167 C GLU A 12 8.583 -2.599 12.214 1.00 44.32 C ATOM 168 O GLU A 12 8.602 -2.316 13.412 1.00 50.21 O ATOM 169 CB GLU A 12 9.812 -0.965 10.771 1.00 72.33 C ATOM 170 CG GLU A 12 10.041 0.111 11.818 1.00 12.41 C ATOM 171 CD GLU A 12 11.230 0.995 11.496 1.00 52.44 C ATOM 172 OE1 GLU A 12 12.326 0.450 11.248 1.00 15.22 O ATOM 173 OE2 GLU A 12 11.064 2.233 11.491 1.00 52.33 O ATOM 0 H GLU A 12 9.937 -2.961 9.327 1.00 43.41 H new ATOM 0 HA GLU A 12 10.705 -2.518 11.957 1.00 23.43 H new ATOM 0 HB2 GLU A 12 10.585 -0.887 10.007 1.00 72.33 H new ATOM 0 HB3 GLU A 12 8.857 -0.783 10.278 1.00 72.33 H new ATOM 0 HG2 GLU A 12 9.146 0.728 11.901 1.00 12.41 H new ATOM 0 HG3 GLU A 12 10.195 -0.359 12.789 1.00 12.41 H new ATOM 180 N ARG A 13 7.513 -3.099 11.605 1.00 43.12 N ATOM 181 CA ARG A 13 6.271 -3.349 12.326 1.00 51.54 C ATOM 182 C ARG A 13 6.458 -4.448 13.367 1.00 71.44 C ATOM 183 O ARG A 13 5.872 -4.400 14.447 1.00 15.14 O ATOM 184 CB ARG A 13 5.160 -3.739 11.349 1.00 34.14 C ATOM 185 CG ARG A 13 3.856 -2.993 11.581 1.00 34.52 C ATOM 186 CD ARG A 13 3.817 -1.685 10.808 1.00 50.14 C ATOM 187 NE ARG A 13 2.717 -0.826 11.239 1.00 23.21 N ATOM 188 CZ ARG A 13 2.579 0.438 10.857 1.00 53.43 C ATOM 189 NH1 ARG A 13 3.466 0.988 10.039 1.00 53.11 N ATOM 190 NH2 ARG A 13 1.551 1.156 11.292 1.00 32.42 N ATOM 0 H ARG A 13 7.481 -3.339 10.614 1.00 43.12 H new ATOM 0 HA ARG A 13 5.987 -2.431 12.841 1.00 51.54 H new ATOM 0 HB2 ARG A 13 5.500 -3.551 10.331 1.00 34.14 H new ATOM 0 HB3 ARG A 13 4.976 -4.810 11.430 1.00 34.14 H new ATOM 0 HG2 ARG A 13 3.018 -3.621 11.278 1.00 34.52 H new ATOM 0 HG3 ARG A 13 3.735 -2.791 12.645 1.00 34.52 H new ATOM 0 HD2 ARG A 13 4.762 -1.158 10.940 1.00 50.14 H new ATOM 0 HD3 ARG A 13 3.716 -1.896 9.743 1.00 50.14 H new ATOM 0 HE ARG A 13 2.017 -1.219 11.868 1.00 23.21 H new ATOM 0 HH11 ARG A 13 4.257 0.440 9.701 1.00 53.11 H new ATOM 0 HH12 ARG A 13 3.357 1.959 9.747 1.00 53.11 H new ATOM 0 HH21 ARG A 13 0.866 0.737 11.921 1.00 32.42 H new ATOM 0 HH22 ARG A 13 1.446 2.127 10.998 1.00 32.42 H new ATOM 204 N ALA A 14 7.278 -5.439 13.032 1.00 22.13 N ATOM 205 CA ALA A 14 7.544 -6.550 13.938 1.00 15.11 C ATOM 206 C ALA A 14 8.192 -6.062 15.229 1.00 34.35 C ATOM 207 O ALA A 14 7.733 -6.386 16.326 1.00 63.25 O ATOM 208 CB ALA A 14 8.428 -7.585 13.259 1.00 5.32 C ATOM 0 H ALA A 14 7.769 -5.495 12.140 1.00 22.13 H new ATOM 0 HA ALA A 14 6.592 -7.014 14.194 1.00 15.11 H new ATOM 0 HB1 ALA A 14 8.618 -8.409 13.947 1.00 5.32 H new ATOM 0 HB2 ALA A 14 7.926 -7.964 12.369 1.00 5.32 H new ATOM 0 HB3 ALA A 14 9.374 -7.125 12.974 1.00 5.32 H new ATOM 214 N ILE A 15 9.259 -5.283 15.093 1.00 64.53 N ATOM 215 CA ILE A 15 9.969 -4.752 16.249 1.00 5.42 C ATOM 216 C ILE A 15 9.179 -3.627 16.910 1.00 23.21 C ATOM 217 O ILE A 15 9.224 -3.458 18.128 1.00 1.51 O ATOM 218 CB ILE A 15 11.363 -4.224 15.860 1.00 24.54 C ATOM 219 CG1 ILE A 15 12.140 -3.803 17.110 1.00 60.44 C ATOM 220 CG2 ILE A 15 11.237 -3.059 14.891 1.00 64.15 C ATOM 221 CD1 ILE A 15 13.300 -4.718 17.437 1.00 35.01 C ATOM 0 H ILE A 15 9.651 -5.005 14.193 1.00 64.53 H new ATOM 0 HA ILE A 15 10.085 -5.575 16.954 1.00 5.42 H new ATOM 0 HB ILE A 15 11.913 -5.024 15.365 1.00 24.54 H new ATOM 0 HG12 ILE A 15 12.515 -2.789 16.970 1.00 60.44 H new ATOM 0 HG13 ILE A 15 11.458 -3.776 17.960 1.00 60.44 H new ATOM 0 HG21 ILE A 15 12.230 -2.697 14.626 1.00 64.15 H new ATOM 0 HG22 ILE A 15 10.719 -3.389 13.991 1.00 64.15 H new ATOM 0 HG23 ILE A 15 10.671 -2.254 15.361 1.00 64.15 H new ATOM 0 HD11 ILE A 15 13.805 -4.359 18.334 1.00 35.01 H new ATOM 0 HD12 ILE A 15 12.929 -5.728 17.609 1.00 35.01 H new ATOM 0 HD13 ILE A 15 14.003 -4.726 16.604 1.00 35.01 H new ATOM 233 N GLN A 16 8.455 -2.864 16.098 1.00 4.51 N ATOM 234 CA GLN A 16 7.654 -1.756 16.605 1.00 51.21 C ATOM 235 C GLN A 16 6.567 -2.258 17.550 1.00 42.22 C ATOM 236 O GLN A 16 6.072 -1.512 18.394 1.00 2.12 O ATOM 237 CB GLN A 16 7.022 -0.984 15.446 1.00 54.15 C ATOM 238 CG GLN A 16 7.924 0.096 14.870 1.00 74.33 C ATOM 239 CD GLN A 16 7.520 1.489 15.309 1.00 11.23 C ATOM 240 OE1 GLN A 16 6.541 2.050 14.815 1.00 62.50 O ATOM 241 NE2 GLN A 16 8.274 2.057 16.244 1.00 54.14 N ATOM 0 H GLN A 16 8.406 -2.992 15.087 1.00 4.51 H new ATOM 0 HA GLN A 16 8.313 -1.089 17.160 1.00 51.21 H new ATOM 0 HB2 GLN A 16 6.758 -1.685 14.654 1.00 54.15 H new ATOM 0 HB3 GLN A 16 6.094 -0.526 15.789 1.00 54.15 H new ATOM 0 HG2 GLN A 16 8.953 -0.093 15.177 1.00 74.33 H new ATOM 0 HG3 GLN A 16 7.901 0.041 13.782 1.00 74.33 H new ATOM 0 HE21 GLN A 16 9.076 1.556 16.626 1.00 54.14 H new ATOM 0 HE22 GLN A 16 8.051 2.994 16.580 1.00 54.14 H new ATOM 250 N ALA A 17 6.200 -3.527 17.401 1.00 4.51 N ATOM 251 CA ALA A 17 5.173 -4.128 18.242 1.00 24.53 C ATOM 252 C ALA A 17 5.525 -3.993 19.720 1.00 62.11 C ATOM 253 O ALA A 17 4.776 -3.398 20.493 1.00 14.21 O ATOM 254 CB ALA A 17 4.982 -5.593 17.875 1.00 10.43 C ATOM 0 H ALA A 17 6.599 -4.158 16.706 1.00 4.51 H new ATOM 0 HA ALA A 17 4.238 -3.595 18.068 1.00 24.53 H new ATOM 0 HB1 ALA A 17 4.212 -6.030 18.511 1.00 10.43 H new ATOM 0 HB2 ALA A 17 4.677 -5.670 16.831 1.00 10.43 H new ATOM 0 HB3 ALA A 17 5.920 -6.130 18.020 1.00 10.43 H new ATOM 260 N GLU A 18 6.669 -4.550 20.105 1.00 44.14 N ATOM 261 CA GLU A 18 7.118 -4.492 21.491 1.00 44.33 C ATOM 262 C GLU A 18 5.966 -4.782 22.448 1.00 24.34 C ATOM 263 O GLU A 18 5.295 -3.868 22.923 1.00 14.33 O ATOM 264 CB GLU A 18 7.718 -3.118 21.799 1.00 70.04 C ATOM 265 CG GLU A 18 8.954 -2.795 20.976 1.00 23.44 C ATOM 266 CD GLU A 18 9.936 -1.911 21.721 1.00 32.30 C ATOM 267 OE1 GLU A 18 9.483 -1.009 22.456 1.00 61.10 O ATOM 268 OE2 GLU A 18 11.157 -2.122 21.568 1.00 23.55 O ATOM 0 H GLU A 18 7.301 -5.046 19.477 1.00 44.14 H new ATOM 0 HA GLU A 18 7.884 -5.255 21.630 1.00 44.33 H new ATOM 0 HB2 GLU A 18 6.963 -2.353 21.620 1.00 70.04 H new ATOM 0 HB3 GLU A 18 7.974 -3.072 22.857 1.00 70.04 H new ATOM 0 HG2 GLU A 18 9.450 -3.723 20.692 1.00 23.44 H new ATOM 0 HG3 GLU A 18 8.652 -2.299 20.053 1.00 23.44 H new ATOM 275 N ASN A 19 5.745 -6.063 22.726 1.00 15.15 N ATOM 276 CA ASN A 19 4.673 -6.475 23.626 1.00 24.13 C ATOM 277 C ASN A 19 4.936 -7.872 24.181 1.00 42.12 C ATOM 278 O ASN A 19 5.584 -8.027 25.215 1.00 31.44 O ATOM 279 CB ASN A 19 3.328 -6.448 22.898 1.00 63.34 C ATOM 280 CG ASN A 19 3.475 -6.667 21.404 1.00 23.02 C ATOM 281 OD1 ASN A 19 4.242 -7.523 20.964 1.00 62.45 O ATOM 282 ND2 ASN A 19 2.739 -5.891 20.617 1.00 31.04 N ATOM 0 H ASN A 19 6.293 -6.833 22.342 1.00 15.15 H new ATOM 0 HA ASN A 19 4.641 -5.772 24.459 1.00 24.13 H new ATOM 0 HB2 ASN A 19 2.678 -7.218 23.313 1.00 63.34 H new ATOM 0 HB3 ASN A 19 2.841 -5.489 23.076 1.00 63.34 H new ATOM 0 HD21 ASN A 19 2.796 -5.992 19.604 1.00 31.04 H new ATOM 0 HD22 ASN A 19 2.116 -5.194 21.026 1.00 31.04 H new ATOM 289 N GLU A 20 4.429 -8.884 23.484 1.00 22.43 N ATOM 290 CA GLU A 20 4.609 -10.268 23.908 1.00 63.02 C ATOM 291 C GLU A 20 3.774 -11.213 23.049 1.00 34.02 C ATOM 292 O GLU A 20 2.556 -11.294 23.201 1.00 35.14 O ATOM 293 CB GLU A 20 4.228 -10.428 25.381 1.00 55.31 C ATOM 294 CG GLU A 20 2.981 -9.653 25.774 1.00 1.21 C ATOM 295 CD GLU A 20 2.397 -10.118 27.094 1.00 40.12 C ATOM 296 OE1 GLU A 20 2.123 -11.329 27.227 1.00 64.34 O ATOM 297 OE2 GLU A 20 2.213 -9.272 27.993 1.00 4.53 O ATOM 0 H GLU A 20 3.891 -8.772 22.625 1.00 22.43 H new ATOM 0 HA GLU A 20 5.661 -10.525 23.783 1.00 63.02 H new ATOM 0 HB2 GLU A 20 4.071 -11.485 25.594 1.00 55.31 H new ATOM 0 HB3 GLU A 20 5.061 -10.098 26.001 1.00 55.31 H new ATOM 0 HG2 GLU A 20 3.223 -8.592 25.842 1.00 1.21 H new ATOM 0 HG3 GLU A 20 2.230 -9.759 24.991 1.00 1.21 H new ATOM 304 N GLY A 21 4.439 -11.926 22.145 1.00 74.00 N ATOM 305 CA GLY A 21 3.742 -12.855 21.275 1.00 61.34 C ATOM 306 C GLY A 21 3.320 -12.218 19.966 1.00 72.24 C ATOM 307 O GLY A 21 3.373 -12.854 18.913 1.00 54.03 O ATOM 0 H GLY A 21 5.447 -11.877 22.000 1.00 74.00 H new ATOM 0 HA2 GLY A 21 4.388 -13.709 21.069 1.00 61.34 H new ATOM 0 HA3 GLY A 21 2.861 -13.239 21.790 1.00 61.34 H new ATOM 311 N ARG A 22 2.898 -10.960 20.031 1.00 41.42 N ATOM 312 CA ARG A 22 2.462 -10.237 18.842 1.00 61.42 C ATOM 313 C ARG A 22 3.511 -10.325 17.737 1.00 21.12 C ATOM 314 O ARG A 22 3.186 -10.256 16.552 1.00 62.14 O ATOM 315 CB ARG A 22 2.186 -8.772 19.182 1.00 13.30 C ATOM 316 CG ARG A 22 0.762 -8.334 18.879 1.00 31.33 C ATOM 317 CD ARG A 22 -0.254 -9.199 19.609 1.00 62.41 C ATOM 318 NE ARG A 22 -1.271 -8.398 20.284 1.00 53.14 N ATOM 319 CZ ARG A 22 -1.029 -7.657 21.359 1.00 50.30 C ATOM 320 NH1 ARG A 22 0.190 -7.615 21.879 1.00 40.14 N ATOM 321 NH2 ARG A 22 -2.007 -6.955 21.917 1.00 54.35 N ATOM 0 H ARG A 22 2.849 -10.420 20.895 1.00 41.42 H new ATOM 0 HA ARG A 22 1.542 -10.699 18.484 1.00 61.42 H new ATOM 0 HB2 ARG A 22 2.390 -8.609 20.240 1.00 13.30 H new ATOM 0 HB3 ARG A 22 2.878 -8.142 18.623 1.00 13.30 H new ATOM 0 HG2 ARG A 22 0.631 -7.292 19.171 1.00 31.33 H new ATOM 0 HG3 ARG A 22 0.584 -8.389 17.805 1.00 31.33 H new ATOM 0 HD2 ARG A 22 -0.735 -9.871 18.898 1.00 62.41 H new ATOM 0 HD3 ARG A 22 0.260 -9.823 20.340 1.00 62.41 H new ATOM 0 HE ARG A 22 -2.220 -8.408 19.909 1.00 53.14 H new ATOM 0 HH11 ARG A 22 0.945 -8.153 21.453 1.00 40.14 H new ATOM 0 HH12 ARG A 22 0.373 -7.045 22.705 1.00 40.14 H new ATOM 0 HH21 ARG A 22 -2.946 -6.984 21.520 1.00 54.35 H new ATOM 0 HH22 ARG A 22 -1.820 -6.386 22.743 1.00 54.35 H new ATOM 335 N TYR A 23 4.769 -10.477 18.134 1.00 25.04 N ATOM 336 CA TYR A 23 5.867 -10.571 17.179 1.00 74.13 C ATOM 337 C TYR A 23 5.645 -11.727 16.207 1.00 4.44 C ATOM 338 O TYR A 23 6.104 -11.689 15.065 1.00 15.44 O ATOM 339 CB TYR A 23 7.196 -10.755 17.913 1.00 51.21 C ATOM 340 CG TYR A 23 7.883 -9.452 18.257 1.00 73.44 C ATOM 341 CD1 TYR A 23 7.381 -8.621 19.250 1.00 3.41 C ATOM 342 CD2 TYR A 23 9.034 -9.054 17.588 1.00 21.13 C ATOM 343 CE1 TYR A 23 8.005 -7.430 19.567 1.00 42.52 C ATOM 344 CE2 TYR A 23 9.666 -7.865 17.899 1.00 35.44 C ATOM 345 CZ TYR A 23 9.147 -7.056 18.889 1.00 60.41 C ATOM 346 OH TYR A 23 9.772 -5.871 19.202 1.00 23.44 O ATOM 0 H TYR A 23 5.054 -10.538 19.111 1.00 25.04 H new ATOM 0 HA TYR A 23 5.901 -9.642 16.610 1.00 74.13 H new ATOM 0 HB2 TYR A 23 7.020 -11.317 18.830 1.00 51.21 H new ATOM 0 HB3 TYR A 23 7.863 -11.356 17.295 1.00 51.21 H new ATOM 0 HD1 TYR A 23 6.488 -8.911 19.783 1.00 3.41 H new ATOM 0 HD2 TYR A 23 9.442 -9.685 16.812 1.00 21.13 H new ATOM 0 HE1 TYR A 23 7.601 -6.795 20.342 1.00 42.52 H new ATOM 0 HE2 TYR A 23 10.561 -7.571 17.370 1.00 35.44 H new ATOM 0 HH TYR A 23 9.233 -5.121 18.875 1.00 23.44 H new ATOM 356 N ARG A 24 4.939 -12.753 16.670 1.00 1.11 N ATOM 357 CA ARG A 24 4.657 -13.920 15.844 1.00 75.42 C ATOM 358 C ARG A 24 3.790 -13.542 14.646 1.00 11.03 C ATOM 359 O ARG A 24 4.157 -13.794 13.499 1.00 14.21 O ATOM 360 CB ARG A 24 3.958 -15.001 16.672 1.00 52.54 C ATOM 361 CG ARG A 24 3.585 -16.236 15.869 1.00 33.55 C ATOM 362 CD ARG A 24 2.092 -16.287 15.586 1.00 15.11 C ATOM 363 NE ARG A 24 1.790 -17.040 14.371 1.00 1.25 N ATOM 364 CZ ARG A 24 1.905 -18.360 14.277 1.00 2.24 C ATOM 365 NH1 ARG A 24 2.313 -19.069 15.321 1.00 75.11 N ATOM 366 NH2 ARG A 24 1.612 -18.973 13.138 1.00 61.02 N ATOM 0 H ARG A 24 4.552 -12.800 17.613 1.00 1.11 H new ATOM 0 HA ARG A 24 5.606 -14.311 15.476 1.00 75.42 H new ATOM 0 HB2 ARG A 24 4.610 -15.296 17.494 1.00 52.54 H new ATOM 0 HB3 ARG A 24 3.056 -14.580 17.116 1.00 52.54 H new ATOM 0 HG2 ARG A 24 4.135 -16.239 14.928 1.00 33.55 H new ATOM 0 HG3 ARG A 24 3.883 -17.131 16.416 1.00 33.55 H new ATOM 0 HD2 ARG A 24 1.578 -16.743 16.432 1.00 15.11 H new ATOM 0 HD3 ARG A 24 1.707 -15.272 15.489 1.00 15.11 H new ATOM 0 HE ARG A 24 1.474 -16.524 13.550 1.00 1.25 H new ATOM 0 HH11 ARG A 24 2.539 -18.601 16.198 1.00 75.11 H new ATOM 0 HH12 ARG A 24 2.401 -20.082 15.246 1.00 75.11 H new ATOM 0 HH21 ARG A 24 1.298 -18.431 12.333 1.00 61.02 H new ATOM 0 HH22 ARG A 24 1.701 -19.987 13.067 1.00 61.02 H new ATOM 380 N GLU A 25 2.639 -12.937 14.923 1.00 41.42 N ATOM 381 CA GLU A 25 1.720 -12.525 13.868 1.00 64.22 C ATOM 382 C GLU A 25 2.318 -11.394 13.036 1.00 65.31 C ATOM 383 O GLU A 25 1.927 -11.179 11.889 1.00 13.34 O ATOM 384 CB GLU A 25 0.385 -12.080 14.468 1.00 23.24 C ATOM 385 CG GLU A 25 0.385 -10.640 14.952 1.00 43.32 C ATOM 386 CD GLU A 25 -0.226 -9.686 13.944 1.00 64.05 C ATOM 387 OE1 GLU A 25 -0.372 -10.081 12.768 1.00 55.12 O ATOM 388 OE2 GLU A 25 -0.556 -8.546 14.329 1.00 13.55 O ATOM 0 H GLU A 25 2.321 -12.721 15.868 1.00 41.42 H new ATOM 0 HA GLU A 25 1.549 -13.382 13.216 1.00 64.22 H new ATOM 0 HB2 GLU A 25 -0.399 -12.203 13.720 1.00 23.24 H new ATOM 0 HB3 GLU A 25 0.135 -12.735 15.303 1.00 23.24 H new ATOM 0 HG2 GLU A 25 -0.168 -10.576 15.889 1.00 43.32 H new ATOM 0 HG3 GLU A 25 1.409 -10.332 15.164 1.00 43.32 H new ATOM 395 N ALA A 26 3.269 -10.675 13.623 1.00 64.02 N ATOM 396 CA ALA A 26 3.923 -9.567 12.937 1.00 71.54 C ATOM 397 C ALA A 26 4.925 -10.075 11.905 1.00 20.24 C ATOM 398 O ALA A 26 4.913 -9.648 10.750 1.00 4.42 O ATOM 399 CB ALA A 26 4.612 -8.657 13.942 1.00 45.13 C ATOM 0 H ALA A 26 3.604 -10.840 14.572 1.00 64.02 H new ATOM 0 HA ALA A 26 3.158 -8.995 12.411 1.00 71.54 H new ATOM 0 HB1 ALA A 26 5.096 -7.834 13.416 1.00 45.13 H new ATOM 0 HB2 ALA A 26 3.874 -8.258 14.638 1.00 45.13 H new ATOM 0 HB3 ALA A 26 5.361 -9.225 14.494 1.00 45.13 H new ATOM 405 N LEU A 27 5.791 -10.989 12.329 1.00 5.53 N ATOM 406 CA LEU A 27 6.802 -11.555 11.442 1.00 11.42 C ATOM 407 C LEU A 27 6.154 -12.212 10.228 1.00 33.32 C ATOM 408 O LEU A 27 6.751 -12.283 9.154 1.00 54.44 O ATOM 409 CB LEU A 27 7.655 -12.577 12.195 1.00 2.43 C ATOM 410 CG LEU A 27 8.922 -12.035 12.859 1.00 52.32 C ATOM 411 CD1 LEU A 27 9.640 -13.139 13.619 1.00 0.54 C ATOM 412 CD2 LEU A 27 9.844 -11.413 11.820 1.00 31.11 C ATOM 0 H LEU A 27 5.814 -11.354 13.281 1.00 5.53 H new ATOM 0 HA LEU A 27 7.441 -10.743 11.095 1.00 11.42 H new ATOM 0 HB2 LEU A 27 7.036 -13.041 12.963 1.00 2.43 H new ATOM 0 HB3 LEU A 27 7.942 -13.364 11.498 1.00 2.43 H new ATOM 0 HG LEU A 27 8.634 -11.261 13.570 1.00 52.32 H new ATOM 0 HD11 LEU A 27 10.539 -12.735 14.085 1.00 0.54 H new ATOM 0 HD12 LEU A 27 8.981 -13.539 14.389 1.00 0.54 H new ATOM 0 HD13 LEU A 27 9.916 -13.936 12.928 1.00 0.54 H new ATOM 0 HD21 LEU A 27 10.740 -11.033 12.310 1.00 31.11 H new ATOM 0 HD22 LEU A 27 10.125 -12.167 11.085 1.00 31.11 H new ATOM 0 HD23 LEU A 27 9.328 -10.593 11.320 1.00 31.11 H new ATOM 424 N LYS A 28 4.927 -12.691 10.406 1.00 62.42 N ATOM 425 CA LYS A 28 4.195 -13.341 9.325 1.00 52.51 C ATOM 426 C LYS A 28 4.207 -12.480 8.066 1.00 52.42 C ATOM 427 O LYS A 28 4.190 -12.996 6.948 1.00 21.31 O ATOM 428 CB LYS A 28 2.752 -13.617 9.753 1.00 52.11 C ATOM 429 CG LYS A 28 2.393 -15.093 9.764 1.00 54.41 C ATOM 430 CD LYS A 28 1.029 -15.330 10.391 1.00 51.03 C ATOM 431 CE LYS A 28 -0.095 -15.039 9.408 1.00 64.14 C ATOM 432 NZ LYS A 28 -0.150 -16.049 8.314 1.00 12.33 N ATOM 0 H LYS A 28 4.419 -12.641 11.289 1.00 62.42 H new ATOM 0 HA LYS A 28 4.689 -14.287 9.102 1.00 52.51 H new ATOM 0 HB2 LYS A 28 2.592 -13.205 10.750 1.00 52.11 H new ATOM 0 HB3 LYS A 28 2.075 -13.092 9.079 1.00 52.11 H new ATOM 0 HG2 LYS A 28 2.397 -15.477 8.744 1.00 54.41 H new ATOM 0 HG3 LYS A 28 3.150 -15.649 10.317 1.00 54.41 H new ATOM 0 HD2 LYS A 28 0.958 -16.363 10.731 1.00 51.03 H new ATOM 0 HD3 LYS A 28 0.917 -14.697 11.271 1.00 51.03 H new ATOM 0 HE2 LYS A 28 -1.047 -15.026 9.938 1.00 64.14 H new ATOM 0 HE3 LYS A 28 0.045 -14.047 8.980 1.00 64.14 H new ATOM 0 HZ1 LYS A 28 -1.086 -16.020 7.861 1.00 12.33 H new ATOM 0 HZ2 LYS A 28 0.583 -15.836 7.608 1.00 12.33 H new ATOM 0 HZ3 LYS A 28 0.014 -16.997 8.708 1.00 12.33 H new ATOM 446 N HIS A 29 4.237 -11.164 8.254 1.00 22.01 N ATOM 447 CA HIS A 29 4.254 -10.231 7.133 1.00 73.43 C ATOM 448 C HIS A 29 5.542 -10.372 6.328 1.00 5.23 C ATOM 449 O HIS A 29 5.521 -10.375 5.097 1.00 13.33 O ATOM 450 CB HIS A 29 4.106 -8.795 7.635 1.00 50.33 C ATOM 451 CG HIS A 29 2.816 -8.149 7.231 1.00 22.05 C ATOM 452 ND1 HIS A 29 2.669 -7.423 6.068 1.00 23.04 N ATOM 453 CD2 HIS A 29 1.609 -8.125 7.843 1.00 1.44 C ATOM 454 CE1 HIS A 29 1.428 -6.978 5.983 1.00 22.52 C ATOM 455 NE2 HIS A 29 0.764 -7.391 7.048 1.00 50.22 N ATOM 0 H HIS A 29 4.250 -10.720 9.172 1.00 22.01 H new ATOM 0 HA HIS A 29 3.413 -10.468 6.482 1.00 73.43 H new ATOM 0 HB2 HIS A 29 4.181 -8.789 8.722 1.00 50.33 H new ATOM 0 HB3 HIS A 29 4.936 -8.199 7.256 1.00 50.33 H new ATOM 0 HD2 HIS A 29 1.357 -8.596 8.782 1.00 1.44 H new ATOM 0 HE1 HIS A 29 1.025 -6.379 5.180 1.00 22.52 H new ATOM 0 HE2 HIS A 29 -0.217 -7.196 7.247 1.00 50.22 H new ATOM 463 N PHE A 30 6.664 -10.487 7.032 1.00 71.21 N ATOM 464 CA PHE A 30 7.963 -10.626 6.383 1.00 35.03 C ATOM 465 C PHE A 30 8.057 -11.952 5.634 1.00 24.14 C ATOM 466 O PHE A 30 8.575 -12.012 4.518 1.00 34.31 O ATOM 467 CB PHE A 30 9.086 -10.530 7.418 1.00 71.13 C ATOM 468 CG PHE A 30 10.430 -10.230 6.817 1.00 34.43 C ATOM 469 CD1 PHE A 30 10.711 -8.973 6.308 1.00 11.12 C ATOM 470 CD2 PHE A 30 11.411 -11.207 6.762 1.00 44.44 C ATOM 471 CE1 PHE A 30 11.947 -8.694 5.755 1.00 14.33 C ATOM 472 CE2 PHE A 30 12.649 -10.933 6.210 1.00 31.24 C ATOM 473 CZ PHE A 30 12.916 -9.676 5.706 1.00 45.35 C ATOM 0 H PHE A 30 6.700 -10.487 8.051 1.00 71.21 H new ATOM 0 HA PHE A 30 8.071 -9.814 5.663 1.00 35.03 H new ATOM 0 HB2 PHE A 30 8.838 -9.752 8.141 1.00 71.13 H new ATOM 0 HB3 PHE A 30 9.144 -11.469 7.968 1.00 71.13 H new ATOM 0 HD1 PHE A 30 9.956 -8.202 6.343 1.00 11.12 H new ATOM 0 HD2 PHE A 30 11.207 -12.192 7.154 1.00 44.44 H new ATOM 0 HE1 PHE A 30 12.154 -7.710 5.362 1.00 14.33 H new ATOM 0 HE2 PHE A 30 13.406 -11.702 6.173 1.00 31.24 H new ATOM 0 HZ PHE A 30 13.882 -9.461 5.274 1.00 45.35 H new ATOM 483 N LEU A 31 7.555 -13.013 6.257 1.00 63.05 N ATOM 484 CA LEU A 31 7.583 -14.340 5.650 1.00 1.34 C ATOM 485 C LEU A 31 6.859 -14.340 4.308 1.00 62.22 C ATOM 486 O LEU A 31 7.201 -15.107 3.407 1.00 11.03 O ATOM 487 CB LEU A 31 6.943 -15.364 6.588 1.00 34.15 C ATOM 488 CG LEU A 31 7.823 -16.548 6.991 1.00 13.00 C ATOM 489 CD1 LEU A 31 8.998 -16.077 7.833 1.00 64.12 C ATOM 490 CD2 LEU A 31 7.006 -17.587 7.746 1.00 63.13 C ATOM 0 H LEU A 31 7.124 -12.981 7.181 1.00 63.05 H new ATOM 0 HA LEU A 31 8.624 -14.613 5.480 1.00 1.34 H new ATOM 0 HB2 LEU A 31 6.626 -14.848 7.494 1.00 34.15 H new ATOM 0 HB3 LEU A 31 6.043 -15.752 6.110 1.00 34.15 H new ATOM 0 HG LEU A 31 8.214 -17.011 6.085 1.00 13.00 H new ATOM 0 HD11 LEU A 31 9.613 -16.933 8.110 1.00 64.12 H new ATOM 0 HD12 LEU A 31 9.597 -15.371 7.259 1.00 64.12 H new ATOM 0 HD13 LEU A 31 8.627 -15.589 8.735 1.00 64.12 H new ATOM 0 HD21 LEU A 31 7.648 -18.422 8.025 1.00 63.13 H new ATOM 0 HD22 LEU A 31 6.586 -17.136 8.645 1.00 63.13 H new ATOM 0 HD23 LEU A 31 6.198 -17.947 7.109 1.00 63.13 H new ATOM 502 N ASP A 32 5.860 -13.475 4.180 1.00 15.34 N ATOM 503 CA ASP A 32 5.089 -13.373 2.946 1.00 1.44 C ATOM 504 C ASP A 32 5.941 -12.796 1.820 1.00 11.41 C ATOM 505 O ASP A 32 5.926 -13.297 0.697 1.00 74.31 O ATOM 506 CB ASP A 32 3.851 -12.502 3.164 1.00 52.43 C ATOM 507 CG ASP A 32 2.883 -12.571 1.999 1.00 13.21 C ATOM 508 OD1 ASP A 32 2.653 -13.685 1.484 1.00 4.11 O ATOM 509 OD2 ASP A 32 2.355 -11.511 1.602 1.00 51.30 O ATOM 0 H ASP A 32 5.564 -12.834 4.916 1.00 15.34 H new ATOM 0 HA ASP A 32 4.772 -14.376 2.660 1.00 1.44 H new ATOM 0 HB2 ASP A 32 3.343 -12.819 4.074 1.00 52.43 H new ATOM 0 HB3 ASP A 32 4.160 -11.468 3.315 1.00 52.43 H new ATOM 514 N GLY A 33 6.683 -11.736 2.129 1.00 22.51 N ATOM 515 CA GLY A 33 7.530 -11.108 1.132 1.00 10.23 C ATOM 516 C GLY A 33 8.687 -11.993 0.713 1.00 51.22 C ATOM 517 O GLY A 33 9.036 -12.053 -0.465 1.00 60.13 O ATOM 0 H GLY A 33 6.712 -11.302 3.051 1.00 22.51 H new ATOM 0 HA2 GLY A 33 6.931 -10.859 0.256 1.00 10.23 H new ATOM 0 HA3 GLY A 33 7.919 -10.170 1.529 1.00 10.23 H new ATOM 521 N GLY A 34 9.285 -12.681 1.681 1.00 71.14 N ATOM 522 CA GLY A 34 10.404 -13.556 1.386 1.00 62.54 C ATOM 523 C GLY A 34 10.078 -14.571 0.308 1.00 63.14 C ATOM 524 O GLY A 34 10.925 -14.896 -0.524 1.00 2.50 O ATOM 0 H GLY A 34 9.014 -12.648 2.664 1.00 71.14 H new ATOM 0 HA2 GLY A 34 11.257 -12.956 1.069 1.00 62.54 H new ATOM 0 HA3 GLY A 34 10.702 -14.079 2.295 1.00 62.54 H new ATOM 528 N GLU A 35 8.848 -15.074 0.323 1.00 31.20 N ATOM 529 CA GLU A 35 8.414 -16.060 -0.660 1.00 21.12 C ATOM 530 C GLU A 35 8.485 -15.488 -2.073 1.00 2.34 C ATOM 531 O GLU A 35 8.481 -16.229 -3.055 1.00 21.12 O ATOM 532 CB GLU A 35 6.987 -16.522 -0.356 1.00 64.22 C ATOM 533 CG GLU A 35 6.842 -17.201 0.995 1.00 22.33 C ATOM 534 CD GLU A 35 6.389 -18.644 0.878 1.00 52.53 C ATOM 535 OE1 GLU A 35 7.233 -19.506 0.557 1.00 43.25 O ATOM 536 OE2 GLU A 35 5.191 -18.910 1.106 1.00 14.14 O ATOM 0 H GLU A 35 8.135 -14.815 1.005 1.00 31.20 H new ATOM 0 HA GLU A 35 9.086 -16.916 -0.599 1.00 21.12 H new ATOM 0 HB2 GLU A 35 6.320 -15.661 -0.394 1.00 64.22 H new ATOM 0 HB3 GLU A 35 6.663 -17.211 -1.136 1.00 64.22 H new ATOM 0 HG2 GLU A 35 7.797 -17.165 1.520 1.00 22.33 H new ATOM 0 HG3 GLU A 35 6.125 -16.647 1.601 1.00 22.33 H new ATOM 543 N MET A 36 8.550 -14.164 -2.166 1.00 13.54 N ATOM 544 CA MET A 36 8.622 -13.491 -3.458 1.00 23.24 C ATOM 545 C MET A 36 9.978 -13.726 -4.117 1.00 55.22 C ATOM 546 O MET A 36 10.088 -13.732 -5.344 1.00 23.25 O ATOM 547 CB MET A 36 8.376 -11.990 -3.290 1.00 64.52 C ATOM 548 CG MET A 36 7.068 -11.664 -2.588 1.00 5.40 C ATOM 549 SD MET A 36 5.626 -11.987 -3.621 1.00 1.34 S ATOM 550 CE MET A 36 5.265 -10.339 -4.223 1.00 63.13 C ATOM 0 H MET A 36 8.554 -13.536 -1.362 1.00 13.54 H new ATOM 0 HA MET A 36 7.847 -13.908 -4.101 1.00 23.24 H new ATOM 0 HB2 MET A 36 9.201 -11.556 -2.724 1.00 64.52 H new ATOM 0 HB3 MET A 36 8.380 -11.517 -4.272 1.00 64.52 H new ATOM 0 HG2 MET A 36 6.994 -12.253 -1.674 1.00 5.40 H new ATOM 0 HG3 MET A 36 7.071 -10.615 -2.292 1.00 5.40 H new ATOM 0 HE1 MET A 36 4.395 -10.374 -4.878 1.00 63.13 H new ATOM 0 HE2 MET A 36 5.058 -9.681 -3.379 1.00 63.13 H new ATOM 0 HE3 MET A 36 6.122 -9.959 -4.778 1.00 63.13 H new ATOM 560 N ILE A 37 11.005 -13.917 -3.296 1.00 73.54 N ATOM 561 CA ILE A 37 12.352 -14.153 -3.801 1.00 74.02 C ATOM 562 C ILE A 37 12.528 -15.602 -4.241 1.00 62.41 C ATOM 563 O ILE A 37 13.369 -15.908 -5.087 1.00 54.23 O ATOM 564 CB ILE A 37 13.417 -13.817 -2.741 1.00 50.31 C ATOM 565 CG1 ILE A 37 14.733 -13.422 -3.416 1.00 35.53 C ATOM 566 CG2 ILE A 37 13.628 -15.000 -1.808 1.00 14.30 C ATOM 567 CD1 ILE A 37 15.730 -12.790 -2.471 1.00 23.11 C ATOM 0 H ILE A 37 10.930 -13.913 -2.279 1.00 73.54 H new ATOM 0 HA ILE A 37 12.487 -13.496 -4.660 1.00 74.02 H new ATOM 0 HB ILE A 37 13.066 -12.972 -2.150 1.00 50.31 H new ATOM 0 HG12 ILE A 37 15.182 -14.308 -3.866 1.00 35.53 H new ATOM 0 HG13 ILE A 37 14.521 -12.725 -4.227 1.00 35.53 H new ATOM 0 HG21 ILE A 37 14.384 -14.747 -1.064 1.00 14.30 H new ATOM 0 HG22 ILE A 37 12.691 -15.239 -1.306 1.00 14.30 H new ATOM 0 HG23 ILE A 37 13.961 -15.863 -2.384 1.00 14.30 H new ATOM 0 HD11 ILE A 37 16.638 -12.536 -3.017 1.00 23.11 H new ATOM 0 HD12 ILE A 37 15.300 -11.886 -2.040 1.00 23.11 H new ATOM 0 HD13 ILE A 37 15.971 -13.493 -1.673 1.00 23.11 H new ATOM 579 N VAL A 38 11.729 -16.493 -3.662 1.00 13.51 N ATOM 580 CA VAL A 38 11.794 -17.910 -3.996 1.00 20.31 C ATOM 581 C VAL A 38 11.157 -18.185 -5.353 1.00 54.03 C ATOM 582 O VAL A 38 11.750 -18.842 -6.210 1.00 1.35 O ATOM 583 CB VAL A 38 11.093 -18.771 -2.928 1.00 62.32 C ATOM 584 CG1 VAL A 38 11.230 -20.249 -3.260 1.00 20.40 C ATOM 585 CG2 VAL A 38 11.658 -18.472 -1.548 1.00 1.21 C ATOM 0 H VAL A 38 11.029 -16.258 -2.959 1.00 13.51 H new ATOM 0 HA VAL A 38 12.850 -18.178 -4.033 1.00 20.31 H new ATOM 0 HB VAL A 38 10.032 -18.521 -2.923 1.00 62.32 H new ATOM 0 HG11 VAL A 38 10.729 -20.842 -2.495 1.00 20.40 H new ATOM 0 HG12 VAL A 38 10.774 -20.448 -4.230 1.00 20.40 H new ATOM 0 HG13 VAL A 38 12.286 -20.518 -3.294 1.00 20.40 H new ATOM 0 HG21 VAL A 38 11.151 -19.089 -0.806 1.00 1.21 H new ATOM 0 HG22 VAL A 38 12.725 -18.693 -1.536 1.00 1.21 H new ATOM 0 HG23 VAL A 38 11.503 -17.419 -1.312 1.00 1.21 H new ATOM 595 N THR A 39 9.943 -17.677 -5.545 1.00 32.43 N ATOM 596 CA THR A 39 9.224 -17.868 -6.798 1.00 35.23 C ATOM 597 C THR A 39 10.095 -17.500 -7.993 1.00 74.13 C ATOM 598 O THR A 39 9.952 -18.069 -9.075 1.00 44.33 O ATOM 599 CB THR A 39 7.934 -17.027 -6.839 1.00 34.34 C ATOM 600 OG1 THR A 39 7.297 -17.169 -8.113 1.00 51.44 O ATOM 601 CG2 THR A 39 8.236 -15.560 -6.577 1.00 12.40 C ATOM 0 H THR A 39 9.438 -17.130 -4.848 1.00 32.43 H new ATOM 0 HA THR A 39 8.962 -18.925 -6.854 1.00 35.23 H new ATOM 0 HB THR A 39 7.266 -17.388 -6.057 1.00 34.34 H new ATOM 0 HG1 THR A 39 6.477 -16.633 -8.130 1.00 51.44 H new ATOM 0 HG21 THR A 39 7.310 -14.986 -6.611 1.00 12.40 H new ATOM 0 HG22 THR A 39 8.693 -15.453 -5.593 1.00 12.40 H new ATOM 0 HG23 THR A 39 8.921 -15.188 -7.338 1.00 12.40 H new ATOM 609 N ALA A 40 10.997 -16.546 -7.790 1.00 41.25 N ATOM 610 CA ALA A 40 11.893 -16.104 -8.852 1.00 24.13 C ATOM 611 C ALA A 40 12.951 -17.161 -9.153 1.00 13.13 C ATOM 612 O ALA A 40 13.278 -17.412 -10.312 1.00 24.00 O ATOM 613 CB ALA A 40 12.554 -14.787 -8.471 1.00 31.54 C ATOM 0 H ALA A 40 11.127 -16.064 -6.900 1.00 41.25 H new ATOM 0 HA ALA A 40 11.300 -15.953 -9.754 1.00 24.13 H new ATOM 0 HB1 ALA A 40 13.220 -14.469 -9.273 1.00 31.54 H new ATOM 0 HB2 ALA A 40 11.788 -14.028 -8.313 1.00 31.54 H new ATOM 0 HB3 ALA A 40 13.128 -14.920 -7.554 1.00 31.54 H new ATOM 619 N ALA A 41 13.481 -17.777 -8.101 1.00 45.52 N ATOM 620 CA ALA A 41 14.501 -18.807 -8.254 1.00 31.23 C ATOM 621 C ALA A 41 13.891 -20.114 -8.748 1.00 74.15 C ATOM 622 O ALA A 41 14.364 -20.702 -9.720 1.00 44.42 O ATOM 623 CB ALA A 41 15.229 -19.028 -6.936 1.00 62.02 C ATOM 0 H ALA A 41 13.221 -17.581 -7.134 1.00 45.52 H new ATOM 0 HA ALA A 41 15.218 -18.466 -9.001 1.00 31.23 H new ATOM 0 HB1 ALA A 41 15.988 -19.800 -7.065 1.00 62.02 H new ATOM 0 HB2 ALA A 41 15.706 -18.099 -6.623 1.00 62.02 H new ATOM 0 HB3 ALA A 41 14.516 -19.344 -6.175 1.00 62.02 H new ATOM 629 N GLU A 42 12.837 -20.563 -8.073 1.00 25.31 N ATOM 630 CA GLU A 42 12.164 -21.802 -8.444 1.00 62.33 C ATOM 631 C GLU A 42 11.729 -21.768 -9.907 1.00 4.13 C ATOM 632 O GLU A 42 12.046 -22.670 -10.682 1.00 61.22 O ATOM 633 CB GLU A 42 10.949 -22.038 -7.545 1.00 10.11 C ATOM 634 CG GLU A 42 11.263 -21.947 -6.061 1.00 62.11 C ATOM 635 CD GLU A 42 10.970 -23.239 -5.323 1.00 4.23 C ATOM 636 OE1 GLU A 42 11.748 -24.203 -5.480 1.00 44.54 O ATOM 637 OE2 GLU A 42 9.962 -23.285 -4.587 1.00 25.15 O ATOM 0 H GLU A 42 12.431 -20.087 -7.267 1.00 25.31 H new ATOM 0 HA GLU A 42 12.870 -22.622 -8.311 1.00 62.33 H new ATOM 0 HB2 GLU A 42 10.179 -21.307 -7.790 1.00 10.11 H new ATOM 0 HB3 GLU A 42 10.534 -23.023 -7.760 1.00 10.11 H new ATOM 0 HG2 GLU A 42 12.314 -21.689 -5.931 1.00 62.11 H new ATOM 0 HG3 GLU A 42 10.679 -21.140 -5.619 1.00 62.11 H new ATOM 644 N LYS A 43 11.001 -20.720 -10.277 1.00 31.14 N ATOM 645 CA LYS A 43 10.522 -20.565 -11.645 1.00 71.30 C ATOM 646 C LYS A 43 11.689 -20.469 -12.622 1.00 40.43 C ATOM 647 O LYS A 43 11.551 -20.793 -13.801 1.00 70.22 O ATOM 648 CB LYS A 43 9.641 -19.319 -11.761 1.00 61.31 C ATOM 649 CG LYS A 43 8.914 -19.210 -13.090 1.00 44.33 C ATOM 650 CD LYS A 43 9.279 -17.928 -13.821 1.00 73.31 C ATOM 651 CE LYS A 43 8.127 -17.430 -14.680 1.00 52.31 C ATOM 652 NZ LYS A 43 8.423 -16.104 -15.291 1.00 23.24 N ATOM 0 H LYS A 43 10.730 -19.965 -9.648 1.00 31.14 H new ATOM 0 HA LYS A 43 9.931 -21.445 -11.898 1.00 71.30 H new ATOM 0 HB2 LYS A 43 8.908 -19.327 -10.955 1.00 61.31 H new ATOM 0 HB3 LYS A 43 10.260 -18.433 -11.621 1.00 61.31 H new ATOM 0 HG2 LYS A 43 9.162 -20.069 -13.713 1.00 44.33 H new ATOM 0 HG3 LYS A 43 7.838 -19.240 -12.921 1.00 44.33 H new ATOM 0 HD2 LYS A 43 9.553 -17.160 -13.097 1.00 73.31 H new ATOM 0 HD3 LYS A 43 10.153 -18.102 -14.448 1.00 73.31 H new ATOM 0 HE2 LYS A 43 7.922 -18.155 -15.468 1.00 52.31 H new ATOM 0 HE3 LYS A 43 7.226 -17.356 -14.071 1.00 52.31 H new ATOM 0 HZ1 LYS A 43 7.614 -15.799 -15.869 1.00 23.24 H new ATOM 0 HZ2 LYS A 43 8.594 -15.406 -14.539 1.00 23.24 H new ATOM 0 HZ3 LYS A 43 9.268 -16.180 -15.892 1.00 23.24 H new ATOM 666 N GLU A 44 12.837 -20.022 -12.124 1.00 4.45 N ATOM 667 CA GLU A 44 14.028 -19.884 -12.954 1.00 51.41 C ATOM 668 C GLU A 44 14.875 -21.152 -12.906 1.00 73.23 C ATOM 669 O GLU A 44 14.503 -22.136 -12.267 1.00 55.13 O ATOM 670 CB GLU A 44 14.860 -18.684 -12.496 1.00 22.21 C ATOM 671 CG GLU A 44 14.339 -17.351 -13.006 1.00 33.24 C ATOM 672 CD GLU A 44 14.251 -17.299 -14.518 1.00 73.15 C ATOM 673 OE1 GLU A 44 15.003 -18.041 -15.183 1.00 64.31 O ATOM 674 OE2 GLU A 44 13.428 -16.516 -15.038 1.00 1.44 O ATOM 0 H GLU A 44 12.968 -19.749 -11.150 1.00 4.45 H new ATOM 0 HA GLU A 44 13.706 -19.722 -13.983 1.00 51.41 H new ATOM 0 HB2 GLU A 44 14.882 -18.663 -11.406 1.00 22.21 H new ATOM 0 HB3 GLU A 44 15.888 -18.816 -12.833 1.00 22.21 H new ATOM 0 HG2 GLU A 44 13.352 -17.165 -12.582 1.00 33.24 H new ATOM 0 HG3 GLU A 44 14.993 -16.552 -12.656 1.00 33.24 H new ATOM 681 N ALA A 45 16.015 -21.121 -13.588 1.00 23.23 N ATOM 682 CA ALA A 45 16.916 -22.267 -13.622 1.00 52.13 C ATOM 683 C ALA A 45 18.196 -21.936 -14.381 1.00 44.22 C ATOM 684 O ALA A 45 18.163 -21.255 -15.406 1.00 5.30 O ATOM 685 CB ALA A 45 16.221 -23.465 -14.252 1.00 64.14 C ATOM 0 H ALA A 45 16.337 -20.315 -14.124 1.00 23.23 H new ATOM 0 HA ALA A 45 17.187 -22.516 -12.596 1.00 52.13 H new ATOM 0 HB1 ALA A 45 16.905 -24.314 -14.271 1.00 64.14 H new ATOM 0 HB2 ALA A 45 15.339 -23.723 -13.666 1.00 64.14 H new ATOM 0 HB3 ALA A 45 15.921 -23.218 -15.270 1.00 64.14 H new ATOM 691 N SER A 46 19.324 -22.422 -13.871 1.00 54.40 N ATOM 692 CA SER A 46 20.616 -22.173 -14.499 1.00 21.14 C ATOM 693 C SER A 46 20.947 -20.684 -14.489 1.00 43.12 C ATOM 694 O SER A 46 21.698 -20.199 -15.336 1.00 31.44 O ATOM 695 CB SER A 46 20.619 -22.699 -15.935 1.00 54.45 C ATOM 696 OG SER A 46 21.933 -23.012 -16.362 1.00 3.33 O ATOM 0 H SER A 46 19.369 -22.990 -13.025 1.00 54.40 H new ATOM 0 HA SER A 46 21.378 -22.700 -13.926 1.00 21.14 H new ATOM 0 HB2 SER A 46 19.991 -23.587 -16.001 1.00 54.45 H new ATOM 0 HB3 SER A 46 20.186 -21.952 -16.600 1.00 54.45 H new ATOM 0 HG SER A 46 22.523 -22.248 -16.191 1.00 3.33 H new ATOM 702 N GLN A 47 20.381 -19.964 -13.526 1.00 24.44 N ATOM 703 CA GLN A 47 20.616 -18.530 -13.406 1.00 34.21 C ATOM 704 C GLN A 47 21.610 -18.232 -12.289 1.00 21.44 C ATOM 705 O GLN A 47 21.572 -18.854 -11.227 1.00 32.14 O ATOM 706 CB GLN A 47 19.299 -17.797 -13.142 1.00 22.32 C ATOM 707 CG GLN A 47 19.286 -16.367 -13.655 1.00 53.44 C ATOM 708 CD GLN A 47 18.902 -16.276 -15.119 1.00 54.41 C ATOM 709 OE1 GLN A 47 19.759 -16.322 -16.002 1.00 32.21 O ATOM 710 NE2 GLN A 47 17.607 -16.145 -15.385 1.00 21.23 N ATOM 0 H GLN A 47 19.757 -20.350 -12.818 1.00 24.44 H new ATOM 0 HA GLN A 47 21.039 -18.177 -14.347 1.00 34.21 H new ATOM 0 HB2 GLN A 47 18.485 -18.350 -13.611 1.00 22.32 H new ATOM 0 HB3 GLN A 47 19.105 -17.791 -12.069 1.00 22.32 H new ATOM 0 HG2 GLN A 47 18.586 -15.779 -13.062 1.00 53.44 H new ATOM 0 HG3 GLN A 47 20.272 -15.925 -13.514 1.00 53.44 H new ATOM 0 HE21 GLN A 47 16.931 -16.111 -14.622 1.00 21.23 H new ATOM 0 HE22 GLN A 47 17.289 -16.078 -16.352 1.00 21.23 H new ATOM 719 N LYS A 48 22.501 -17.278 -12.535 1.00 13.40 N ATOM 720 CA LYS A 48 23.506 -16.896 -11.550 1.00 52.42 C ATOM 721 C LYS A 48 22.864 -16.176 -10.368 1.00 74.23 C ATOM 722 O LYS A 48 23.306 -16.317 -9.228 1.00 42.32 O ATOM 723 CB LYS A 48 24.564 -15.997 -12.194 1.00 25.23 C ATOM 724 CG LYS A 48 25.116 -16.546 -13.498 1.00 51.54 C ATOM 725 CD LYS A 48 26.506 -16.004 -13.788 1.00 31.24 C ATOM 726 CE LYS A 48 26.501 -15.066 -14.985 1.00 33.11 C ATOM 727 NZ LYS A 48 27.622 -14.088 -14.928 1.00 62.11 N ATOM 0 H LYS A 48 22.548 -16.754 -13.409 1.00 13.40 H new ATOM 0 HA LYS A 48 23.983 -17.805 -11.183 1.00 52.42 H new ATOM 0 HB2 LYS A 48 24.130 -15.014 -12.378 1.00 25.23 H new ATOM 0 HB3 LYS A 48 25.386 -15.857 -11.492 1.00 25.23 H new ATOM 0 HG2 LYS A 48 25.152 -17.634 -13.449 1.00 51.54 H new ATOM 0 HG3 LYS A 48 24.445 -16.285 -14.316 1.00 51.54 H new ATOM 0 HD2 LYS A 48 26.881 -15.475 -12.912 1.00 31.24 H new ATOM 0 HD3 LYS A 48 27.188 -16.833 -13.977 1.00 31.24 H new ATOM 0 HE2 LYS A 48 26.574 -15.649 -15.903 1.00 33.11 H new ATOM 0 HE3 LYS A 48 25.553 -14.530 -15.022 1.00 33.11 H new ATOM 0 HZ1 LYS A 48 27.584 -13.467 -15.761 1.00 62.11 H new ATOM 0 HZ2 LYS A 48 27.539 -13.514 -14.065 1.00 62.11 H new ATOM 0 HZ3 LYS A 48 28.528 -14.599 -14.918 1.00 62.11 H new ATOM 741 N VAL A 49 21.817 -15.406 -10.648 1.00 32.12 N ATOM 742 CA VAL A 49 21.112 -14.667 -9.607 1.00 40.24 C ATOM 743 C VAL A 49 20.197 -15.585 -8.805 1.00 2.14 C ATOM 744 O VAL A 49 19.975 -15.369 -7.613 1.00 62.40 O ATOM 745 CB VAL A 49 20.275 -13.519 -10.203 1.00 70.32 C ATOM 746 CG1 VAL A 49 21.180 -12.427 -10.751 1.00 42.25 C ATOM 747 CG2 VAL A 49 19.345 -14.045 -11.286 1.00 34.54 C ATOM 0 H VAL A 49 21.438 -15.278 -11.586 1.00 32.12 H new ATOM 0 HA VAL A 49 21.871 -14.248 -8.946 1.00 40.24 H new ATOM 0 HB VAL A 49 19.665 -13.088 -9.410 1.00 70.32 H new ATOM 0 HG11 VAL A 49 20.571 -11.625 -11.168 1.00 42.25 H new ATOM 0 HG12 VAL A 49 21.801 -12.031 -9.947 1.00 42.25 H new ATOM 0 HG13 VAL A 49 21.818 -12.841 -11.532 1.00 42.25 H new ATOM 0 HG21 VAL A 49 18.761 -13.221 -11.696 1.00 34.54 H new ATOM 0 HG22 VAL A 49 19.934 -14.503 -12.080 1.00 34.54 H new ATOM 0 HG23 VAL A 49 18.672 -14.788 -10.858 1.00 34.54 H new ATOM 757 N ARG A 50 19.669 -16.610 -9.465 1.00 41.14 N ATOM 758 CA ARG A 50 18.777 -17.561 -8.813 1.00 62.35 C ATOM 759 C ARG A 50 19.400 -18.097 -7.527 1.00 52.24 C ATOM 760 O ARG A 50 18.701 -18.355 -6.549 1.00 12.04 O ATOM 761 CB ARG A 50 18.455 -18.721 -9.758 1.00 41.31 C ATOM 762 CG ARG A 50 17.625 -19.819 -9.113 1.00 65.04 C ATOM 763 CD ARG A 50 18.300 -21.176 -9.244 1.00 11.35 C ATOM 764 NE ARG A 50 19.130 -21.488 -8.083 1.00 34.00 N ATOM 765 CZ ARG A 50 19.508 -22.720 -7.760 1.00 14.21 C ATOM 766 NH1 ARG A 50 19.132 -23.749 -8.506 1.00 64.24 N ATOM 767 NH2 ARG A 50 20.263 -22.924 -6.688 1.00 40.32 N ATOM 0 H ARG A 50 19.843 -16.803 -10.451 1.00 41.14 H new ATOM 0 HA ARG A 50 17.854 -17.040 -8.560 1.00 62.35 H new ATOM 0 HB2 ARG A 50 17.920 -18.334 -10.625 1.00 41.31 H new ATOM 0 HB3 ARG A 50 19.388 -19.150 -10.124 1.00 41.31 H new ATOM 0 HG2 ARG A 50 17.470 -19.588 -8.059 1.00 65.04 H new ATOM 0 HG3 ARG A 50 16.640 -19.854 -9.579 1.00 65.04 H new ATOM 0 HD2 ARG A 50 17.541 -21.949 -9.365 1.00 11.35 H new ATOM 0 HD3 ARG A 50 18.915 -21.190 -10.144 1.00 11.35 H new ATOM 0 HE ARG A 50 19.436 -20.718 -7.488 1.00 34.00 H new ATOM 0 HH11 ARG A 50 18.551 -23.596 -9.330 1.00 64.24 H new ATOM 0 HH12 ARG A 50 19.424 -24.694 -8.256 1.00 64.24 H new ATOM 0 HH21 ARG A 50 20.554 -22.135 -6.111 1.00 40.32 H new ATOM 0 HH22 ARG A 50 20.553 -23.870 -6.441 1.00 40.32 H new ATOM 781 N ASN A 51 20.719 -18.261 -7.538 1.00 74.54 N ATOM 782 CA ASN A 51 21.435 -18.767 -6.373 1.00 64.44 C ATOM 783 C ASN A 51 21.487 -17.717 -5.268 1.00 42.12 C ATOM 784 O ASN A 51 21.443 -18.045 -4.082 1.00 30.32 O ATOM 785 CB ASN A 51 22.855 -19.184 -6.763 1.00 41.14 C ATOM 786 CG ASN A 51 23.565 -19.930 -5.650 1.00 42.51 C ATOM 787 OD1 ASN A 51 23.688 -21.154 -5.688 1.00 2.11 O ATOM 788 ND2 ASN A 51 24.037 -19.192 -4.651 1.00 75.22 N ATOM 0 H ASN A 51 21.313 -18.051 -8.340 1.00 74.54 H new ATOM 0 HA ASN A 51 20.898 -19.638 -5.997 1.00 64.44 H new ATOM 0 HB2 ASN A 51 22.814 -19.815 -7.651 1.00 41.14 H new ATOM 0 HB3 ASN A 51 23.431 -18.297 -7.028 1.00 41.14 H new ATOM 0 HD21 ASN A 51 24.524 -19.638 -3.874 1.00 75.22 H new ATOM 0 HD22 ASN A 51 23.912 -18.180 -4.661 1.00 75.22 H new ATOM 795 N LEU A 52 21.580 -16.453 -5.665 1.00 44.32 N ATOM 796 CA LEU A 52 21.637 -15.353 -4.709 1.00 4.43 C ATOM 797 C LEU A 52 20.252 -15.043 -4.152 1.00 14.21 C ATOM 798 O LEU A 52 20.114 -14.598 -3.012 1.00 1.24 O ATOM 799 CB LEU A 52 22.224 -14.105 -5.371 1.00 41.21 C ATOM 800 CG LEU A 52 23.214 -13.300 -4.528 1.00 62.23 C ATOM 801 CD1 LEU A 52 23.769 -12.131 -5.327 1.00 72.24 C ATOM 802 CD2 LEU A 52 22.550 -12.808 -3.251 1.00 3.05 C ATOM 0 H LEU A 52 21.618 -16.164 -6.643 1.00 44.32 H new ATOM 0 HA LEU A 52 22.281 -15.656 -3.883 1.00 4.43 H new ATOM 0 HB2 LEU A 52 22.723 -14.407 -6.291 1.00 41.21 H new ATOM 0 HB3 LEU A 52 21.402 -13.448 -5.655 1.00 41.21 H new ATOM 0 HG LEU A 52 24.043 -13.952 -4.255 1.00 62.23 H new ATOM 0 HD11 LEU A 52 24.472 -11.570 -4.711 1.00 72.24 H new ATOM 0 HD12 LEU A 52 24.282 -12.506 -6.212 1.00 72.24 H new ATOM 0 HD13 LEU A 52 22.951 -11.478 -5.632 1.00 72.24 H new ATOM 0 HD21 LEU A 52 23.269 -12.237 -2.664 1.00 3.05 H new ATOM 0 HD22 LEU A 52 21.702 -12.172 -3.504 1.00 3.05 H new ATOM 0 HD23 LEU A 52 22.203 -13.662 -2.669 1.00 3.05 H new ATOM 814 N LEU A 53 19.227 -15.283 -4.963 1.00 11.34 N ATOM 815 CA LEU A 53 17.850 -15.032 -4.551 1.00 2.45 C ATOM 816 C LEU A 53 17.464 -15.919 -3.371 1.00 43.13 C ATOM 817 O LEU A 53 16.864 -15.454 -2.401 1.00 63.31 O ATOM 818 CB LEU A 53 16.895 -15.274 -5.720 1.00 73.21 C ATOM 819 CG LEU A 53 16.789 -14.145 -6.745 1.00 55.25 C ATOM 820 CD1 LEU A 53 16.810 -14.704 -8.160 1.00 2.24 C ATOM 821 CD2 LEU A 53 15.525 -13.329 -6.512 1.00 22.23 C ATOM 0 H LEU A 53 19.323 -15.651 -5.909 1.00 11.34 H new ATOM 0 HA LEU A 53 17.774 -13.991 -4.238 1.00 2.45 H new ATOM 0 HB2 LEU A 53 17.209 -16.180 -6.238 1.00 73.21 H new ATOM 0 HB3 LEU A 53 15.901 -15.466 -5.317 1.00 73.21 H new ATOM 0 HG LEU A 53 17.650 -13.488 -6.622 1.00 55.25 H new ATOM 0 HD11 LEU A 53 16.734 -13.885 -8.876 1.00 2.24 H new ATOM 0 HD12 LEU A 53 17.743 -15.244 -8.324 1.00 2.24 H new ATOM 0 HD13 LEU A 53 15.969 -15.384 -8.295 1.00 2.24 H new ATOM 0 HD21 LEU A 53 15.466 -12.530 -7.251 1.00 22.23 H new ATOM 0 HD22 LEU A 53 14.652 -13.975 -6.606 1.00 22.23 H new ATOM 0 HD23 LEU A 53 15.550 -12.897 -5.512 1.00 22.23 H new ATOM 833 N LEU A 54 17.814 -17.197 -3.460 1.00 70.45 N ATOM 834 CA LEU A 54 17.506 -18.150 -2.400 1.00 24.43 C ATOM 835 C LEU A 54 18.448 -17.968 -1.214 1.00 3.02 C ATOM 836 O LEU A 54 18.077 -18.223 -0.068 1.00 0.34 O ATOM 837 CB LEU A 54 17.606 -19.582 -2.929 1.00 33.21 C ATOM 838 CG LEU A 54 16.691 -19.928 -4.104 1.00 34.40 C ATOM 839 CD1 LEU A 54 17.373 -20.914 -5.040 1.00 4.40 C ATOM 840 CD2 LEU A 54 15.370 -20.494 -3.603 1.00 12.13 C ATOM 0 H LEU A 54 18.311 -17.597 -4.255 1.00 70.45 H new ATOM 0 HA LEU A 54 16.486 -17.964 -2.063 1.00 24.43 H new ATOM 0 HB2 LEU A 54 18.637 -19.765 -3.231 1.00 33.21 H new ATOM 0 HB3 LEU A 54 17.387 -20.267 -2.110 1.00 33.21 H new ATOM 0 HG LEU A 54 16.485 -19.013 -4.660 1.00 34.40 H new ATOM 0 HD11 LEU A 54 16.706 -21.148 -5.870 1.00 4.40 H new ATOM 0 HD12 LEU A 54 18.292 -20.473 -5.426 1.00 4.40 H new ATOM 0 HD13 LEU A 54 17.610 -21.828 -4.496 1.00 4.40 H new ATOM 0 HD21 LEU A 54 14.731 -20.735 -4.453 1.00 12.13 H new ATOM 0 HD22 LEU A 54 15.558 -21.398 -3.023 1.00 12.13 H new ATOM 0 HD23 LEU A 54 14.873 -19.756 -2.974 1.00 12.13 H new ATOM 852 N HIS A 55 19.669 -17.523 -1.497 1.00 34.32 N ATOM 853 CA HIS A 55 20.663 -17.304 -0.453 1.00 4.40 C ATOM 854 C HIS A 55 20.308 -16.081 0.388 1.00 41.15 C ATOM 855 O HIS A 55 20.315 -16.136 1.617 1.00 33.35 O ATOM 856 CB HIS A 55 22.051 -17.127 -1.071 1.00 11.35 C ATOM 857 CG HIS A 55 23.116 -16.805 -0.068 1.00 21.00 C ATOM 858 ND1 HIS A 55 23.416 -17.624 1.000 1.00 45.10 N ATOM 859 CD2 HIS A 55 23.955 -15.747 0.024 1.00 41.24 C ATOM 860 CE1 HIS A 55 24.393 -17.083 1.706 1.00 11.52 C ATOM 861 NE2 HIS A 55 24.738 -15.943 1.135 1.00 42.05 N ATOM 0 H HIS A 55 19.993 -17.307 -2.440 1.00 34.32 H new ATOM 0 HA HIS A 55 20.671 -18.179 0.196 1.00 4.40 H new ATOM 0 HB2 HIS A 55 22.324 -18.041 -1.598 1.00 11.35 H new ATOM 0 HB3 HIS A 55 22.010 -16.330 -1.814 1.00 11.35 H new ATOM 0 HD2 HIS A 55 24.000 -14.905 -0.651 1.00 41.24 H new ATOM 0 HE1 HIS A 55 24.834 -17.502 2.598 1.00 11.52 H new ATOM 0 HE2 HIS A 55 25.467 -15.311 1.465 1.00 42.05 H new ATOM 869 N LYS A 56 19.999 -14.977 -0.284 1.00 53.11 N ATOM 870 CA LYS A 56 19.640 -13.740 0.400 1.00 60.04 C ATOM 871 C LYS A 56 18.272 -13.862 1.062 1.00 15.32 C ATOM 872 O LYS A 56 17.995 -13.203 2.064 1.00 24.20 O ATOM 873 CB LYS A 56 19.639 -12.570 -0.587 1.00 14.13 C ATOM 874 CG LYS A 56 20.961 -11.825 -0.649 1.00 71.30 C ATOM 875 CD LYS A 56 21.220 -11.042 0.627 1.00 42.53 C ATOM 876 CE LYS A 56 22.228 -9.925 0.400 1.00 71.02 C ATOM 877 NZ LYS A 56 23.575 -10.456 0.050 1.00 14.14 N ATOM 0 H LYS A 56 19.990 -14.914 -1.302 1.00 53.11 H new ATOM 0 HA LYS A 56 20.383 -13.553 1.175 1.00 60.04 H new ATOM 0 HB2 LYS A 56 19.396 -12.945 -1.581 1.00 14.13 H new ATOM 0 HB3 LYS A 56 18.850 -11.871 -0.308 1.00 14.13 H new ATOM 0 HG2 LYS A 56 21.772 -12.534 -0.813 1.00 71.30 H new ATOM 0 HG3 LYS A 56 20.956 -11.144 -1.500 1.00 71.30 H new ATOM 0 HD2 LYS A 56 20.284 -10.620 0.993 1.00 42.53 H new ATOM 0 HD3 LYS A 56 21.590 -11.716 1.400 1.00 42.53 H new ATOM 0 HE2 LYS A 56 21.875 -9.274 -0.400 1.00 71.02 H new ATOM 0 HE3 LYS A 56 22.301 -9.313 1.299 1.00 71.02 H new ATOM 0 HZ1 LYS A 56 24.241 -9.665 -0.063 1.00 14.14 H new ATOM 0 HZ2 LYS A 56 23.909 -11.084 0.809 1.00 14.14 H new ATOM 0 HZ3 LYS A 56 23.517 -10.990 -0.840 1.00 14.14 H new ATOM 891 N GLY A 57 17.418 -14.710 0.496 1.00 21.14 N ATOM 892 CA GLY A 57 16.089 -14.903 1.047 1.00 24.40 C ATOM 893 C GLY A 57 16.115 -15.608 2.389 1.00 53.11 C ATOM 894 O GLY A 57 15.533 -15.128 3.362 1.00 4.42 O ATOM 0 H GLY A 57 17.623 -15.266 -0.334 1.00 21.14 H new ATOM 0 HA2 GLY A 57 15.601 -13.935 1.158 1.00 24.40 H new ATOM 0 HA3 GLY A 57 15.489 -15.484 0.346 1.00 24.40 H new ATOM 898 N LYS A 58 16.789 -16.752 2.442 1.00 12.32 N ATOM 899 CA LYS A 58 16.888 -17.525 3.674 1.00 30.22 C ATOM 900 C LYS A 58 17.654 -16.751 4.742 1.00 21.43 C ATOM 901 O LYS A 58 17.497 -17.004 5.936 1.00 1.03 O ATOM 902 CB LYS A 58 17.578 -18.864 3.406 1.00 65.33 C ATOM 903 CG LYS A 58 18.942 -18.725 2.751 1.00 30.11 C ATOM 904 CD LYS A 58 20.028 -18.453 3.778 1.00 3.41 C ATOM 905 CE LYS A 58 21.058 -19.572 3.811 1.00 53.22 C ATOM 906 NZ LYS A 58 22.384 -19.092 4.288 1.00 41.41 N ATOM 0 H LYS A 58 17.275 -17.164 1.646 1.00 12.32 H new ATOM 0 HA LYS A 58 15.878 -17.710 4.039 1.00 30.22 H new ATOM 0 HB2 LYS A 58 17.690 -19.401 4.348 1.00 65.33 H new ATOM 0 HB3 LYS A 58 16.938 -19.472 2.767 1.00 65.33 H new ATOM 0 HG2 LYS A 58 19.178 -19.637 2.203 1.00 30.11 H new ATOM 0 HG3 LYS A 58 18.916 -17.914 2.023 1.00 30.11 H new ATOM 0 HD2 LYS A 58 20.522 -17.509 3.545 1.00 3.41 H new ATOM 0 HD3 LYS A 58 19.578 -18.343 4.764 1.00 3.41 H new ATOM 0 HE2 LYS A 58 20.705 -20.371 4.463 1.00 53.22 H new ATOM 0 HE3 LYS A 58 21.163 -19.998 2.813 1.00 53.22 H new ATOM 0 HZ1 LYS A 58 23.058 -19.884 4.296 1.00 41.41 H new ATOM 0 HZ2 LYS A 58 22.733 -18.347 3.652 1.00 41.41 H new ATOM 0 HZ3 LYS A 58 22.289 -18.709 5.250 1.00 41.41 H new ATOM 920 N GLU A 59 18.481 -15.808 4.304 1.00 4.40 N ATOM 921 CA GLU A 59 19.271 -14.997 5.224 1.00 34.11 C ATOM 922 C GLU A 59 18.421 -13.889 5.839 1.00 32.13 C ATOM 923 O GLU A 59 18.248 -13.827 7.057 1.00 43.13 O ATOM 924 CB GLU A 59 20.474 -14.390 4.500 1.00 11.40 C ATOM 925 CG GLU A 59 21.792 -15.066 4.837 1.00 61.34 C ATOM 926 CD GLU A 59 22.118 -15.005 6.316 1.00 5.41 C ATOM 927 OE1 GLU A 59 22.510 -13.919 6.793 1.00 22.21 O ATOM 928 OE2 GLU A 59 21.982 -16.043 6.997 1.00 53.31 O ATOM 0 H GLU A 59 18.622 -15.586 3.318 1.00 4.40 H new ATOM 0 HA GLU A 59 19.628 -15.645 6.025 1.00 34.11 H new ATOM 0 HB2 GLU A 59 20.309 -14.451 3.424 1.00 11.40 H new ATOM 0 HB3 GLU A 59 20.543 -13.332 4.752 1.00 11.40 H new ATOM 0 HG2 GLU A 59 21.753 -16.108 4.520 1.00 61.34 H new ATOM 0 HG3 GLU A 59 22.594 -14.591 4.272 1.00 61.34 H new ATOM 935 N VAL A 60 17.892 -13.015 4.989 1.00 62.15 N ATOM 936 CA VAL A 60 17.060 -11.909 5.447 1.00 31.30 C ATOM 937 C VAL A 60 15.948 -12.403 6.366 1.00 2.43 C ATOM 938 O VAL A 60 15.508 -11.686 7.266 1.00 21.25 O ATOM 939 CB VAL A 60 16.433 -11.150 4.263 1.00 73.24 C ATOM 940 CG1 VAL A 60 17.514 -10.638 3.323 1.00 22.44 C ATOM 941 CG2 VAL A 60 15.448 -12.042 3.520 1.00 4.53 C ATOM 0 H VAL A 60 18.025 -13.052 3.978 1.00 62.15 H new ATOM 0 HA VAL A 60 17.711 -11.231 5.999 1.00 31.30 H new ATOM 0 HB VAL A 60 15.888 -10.291 4.653 1.00 73.24 H new ATOM 0 HG11 VAL A 60 17.051 -10.104 2.493 1.00 22.44 H new ATOM 0 HG12 VAL A 60 18.177 -9.963 3.864 1.00 22.44 H new ATOM 0 HG13 VAL A 60 18.090 -11.480 2.938 1.00 22.44 H new ATOM 0 HG21 VAL A 60 15.014 -11.490 2.686 1.00 4.53 H new ATOM 0 HG22 VAL A 60 15.968 -12.922 3.141 1.00 4.53 H new ATOM 0 HG23 VAL A 60 14.655 -12.354 4.200 1.00 4.53 H new ATOM 951 N LEU A 61 15.498 -13.631 6.134 1.00 11.35 N ATOM 952 CA LEU A 61 14.437 -14.222 6.942 1.00 13.34 C ATOM 953 C LEU A 61 14.944 -14.570 8.338 1.00 5.51 C ATOM 954 O LEU A 61 14.315 -14.231 9.340 1.00 51.04 O ATOM 955 CB LEU A 61 13.887 -15.476 6.260 1.00 44.40 C ATOM 956 CG LEU A 61 13.057 -15.243 4.997 1.00 64.41 C ATOM 957 CD1 LEU A 61 12.985 -16.514 4.165 1.00 61.14 C ATOM 958 CD2 LEU A 61 11.660 -14.760 5.358 1.00 4.01 C ATOM 0 H LEU A 61 15.851 -14.237 5.393 1.00 11.35 H new ATOM 0 HA LEU A 61 13.637 -13.488 7.039 1.00 13.34 H new ATOM 0 HB2 LEU A 61 14.725 -16.124 6.005 1.00 44.40 H new ATOM 0 HB3 LEU A 61 13.273 -16.017 6.980 1.00 44.40 H new ATOM 0 HG LEU A 61 13.544 -14.470 4.402 1.00 64.41 H new ATOM 0 HD11 LEU A 61 12.391 -16.330 3.270 1.00 61.14 H new ATOM 0 HD12 LEU A 61 13.991 -16.817 3.876 1.00 61.14 H new ATOM 0 HD13 LEU A 61 12.521 -17.307 4.752 1.00 61.14 H new ATOM 0 HD21 LEU A 61 11.084 -14.599 4.447 1.00 4.01 H new ATOM 0 HD22 LEU A 61 11.164 -15.510 5.974 1.00 4.01 H new ATOM 0 HD23 LEU A 61 11.731 -13.824 5.912 1.00 4.01 H new ATOM 970 N GLU A 62 16.088 -15.246 8.395 1.00 53.51 N ATOM 971 CA GLU A 62 16.680 -15.637 9.668 1.00 21.44 C ATOM 972 C GLU A 62 17.215 -14.420 10.417 1.00 31.03 C ATOM 973 O GLU A 62 17.291 -14.418 11.646 1.00 72.21 O ATOM 974 CB GLU A 62 17.808 -16.647 9.443 1.00 53.24 C ATOM 975 CG GLU A 62 17.316 -18.063 9.196 1.00 23.31 C ATOM 976 CD GLU A 62 17.684 -19.012 10.320 1.00 20.31 C ATOM 977 OE1 GLU A 62 18.826 -18.928 10.819 1.00 74.00 O ATOM 978 OE2 GLU A 62 16.829 -19.839 10.701 1.00 61.41 O ATOM 0 H GLU A 62 16.622 -15.534 7.575 1.00 53.51 H new ATOM 0 HA GLU A 62 15.901 -16.101 10.273 1.00 21.44 H new ATOM 0 HB2 GLU A 62 18.407 -16.326 8.591 1.00 53.24 H new ATOM 0 HB3 GLU A 62 18.464 -16.646 10.313 1.00 53.24 H new ATOM 0 HG2 GLU A 62 16.233 -18.051 9.075 1.00 23.31 H new ATOM 0 HG3 GLU A 62 17.737 -18.432 8.261 1.00 23.31 H new ATOM 985 N TRP A 63 17.584 -13.388 9.668 1.00 3.30 N ATOM 986 CA TRP A 63 18.113 -12.164 10.260 1.00 32.03 C ATOM 987 C TRP A 63 17.001 -11.353 10.917 1.00 41.23 C ATOM 988 O TRP A 63 17.081 -11.016 12.098 1.00 54.04 O ATOM 989 CB TRP A 63 18.816 -11.320 9.196 1.00 64.40 C ATOM 990 CG TRP A 63 20.261 -11.065 9.500 1.00 4.44 C ATOM 991 CD1 TRP A 63 21.325 -11.844 9.144 1.00 35.53 C ATOM 992 CD2 TRP A 63 20.801 -9.954 10.225 1.00 50.22 C ATOM 993 NE1 TRP A 63 22.493 -11.285 9.604 1.00 75.32 N ATOM 994 CE2 TRP A 63 22.199 -10.125 10.269 1.00 54.51 C ATOM 995 CE3 TRP A 63 20.240 -8.831 10.838 1.00 1.45 C ATOM 996 CZ2 TRP A 63 23.040 -9.214 10.904 1.00 74.35 C ATOM 997 CZ3 TRP A 63 21.076 -7.928 11.468 1.00 21.42 C ATOM 998 CH2 TRP A 63 22.463 -8.124 11.496 1.00 4.23 C ATOM 0 H TRP A 63 17.527 -13.374 8.650 1.00 3.30 H new ATOM 0 HA TRP A 63 18.835 -12.444 11.027 1.00 32.03 H new ATOM 0 HB2 TRP A 63 18.738 -11.824 8.233 1.00 64.40 H new ATOM 0 HB3 TRP A 63 18.298 -10.366 9.099 1.00 64.40 H new ATOM 0 HD1 TRP A 63 21.258 -12.765 8.583 1.00 35.53 H new ATOM 0 HE1 TRP A 63 23.428 -11.672 9.471 1.00 75.32 H new ATOM 0 HE3 TRP A 63 19.172 -8.671 10.820 1.00 1.45 H new ATOM 0 HZ2 TRP A 63 24.109 -9.363 10.928 1.00 74.35 H new ATOM 0 HZ3 TRP A 63 20.653 -7.057 11.946 1.00 21.42 H new ATOM 0 HH2 TRP A 63 23.090 -7.400 11.995 1.00 4.23 H new ATOM 1009 N ALA A 64 15.966 -11.042 10.144 1.00 75.42 N ATOM 1010 CA ALA A 64 14.837 -10.272 10.652 1.00 71.52 C ATOM 1011 C ALA A 64 14.229 -10.936 11.883 1.00 63.11 C ATOM 1012 O ALA A 64 13.683 -10.263 12.756 1.00 42.51 O ATOM 1013 CB ALA A 64 13.783 -10.102 9.567 1.00 22.34 C ATOM 0 H ALA A 64 15.886 -11.311 9.163 1.00 75.42 H new ATOM 0 HA ALA A 64 15.203 -9.288 10.945 1.00 71.52 H new ATOM 0 HB1 ALA A 64 12.946 -9.525 9.960 1.00 22.34 H new ATOM 0 HB2 ALA A 64 14.218 -9.577 8.716 1.00 22.34 H new ATOM 0 HB3 ALA A 64 13.430 -11.082 9.246 1.00 22.34 H new ATOM 1019 N GLU A 65 14.328 -12.260 11.945 1.00 32.41 N ATOM 1020 CA GLU A 65 13.786 -13.014 13.070 1.00 73.15 C ATOM 1021 C GLU A 65 14.692 -12.895 14.292 1.00 70.45 C ATOM 1022 O GLU A 65 14.254 -13.094 15.425 1.00 13.21 O ATOM 1023 CB GLU A 65 13.614 -14.486 12.690 1.00 75.42 C ATOM 1024 CG GLU A 65 12.430 -14.744 11.773 1.00 52.13 C ATOM 1025 CD GLU A 65 11.462 -15.763 12.342 1.00 61.45 C ATOM 1026 OE1 GLU A 65 11.218 -15.730 13.566 1.00 62.10 O ATOM 1027 OE2 GLU A 65 10.949 -16.594 11.563 1.00 21.22 O ATOM 0 H GLU A 65 14.778 -12.832 11.231 1.00 32.41 H new ATOM 0 HA GLU A 65 12.812 -12.594 13.320 1.00 73.15 H new ATOM 0 HB2 GLU A 65 14.524 -14.835 12.202 1.00 75.42 H new ATOM 0 HB3 GLU A 65 13.494 -15.075 13.599 1.00 75.42 H new ATOM 0 HG2 GLU A 65 11.902 -13.807 11.595 1.00 52.13 H new ATOM 0 HG3 GLU A 65 12.793 -15.094 10.807 1.00 52.13 H new ATOM 1034 N HIS A 66 15.959 -12.571 14.052 1.00 14.23 N ATOM 1035 CA HIS A 66 16.928 -12.425 15.133 1.00 73.43 C ATOM 1036 C HIS A 66 16.482 -11.353 16.122 1.00 52.32 C ATOM 1037 O HIS A 66 16.373 -11.607 17.322 1.00 13.11 O ATOM 1038 CB HIS A 66 18.304 -12.074 14.568 1.00 43.14 C ATOM 1039 CG HIS A 66 19.430 -12.796 15.241 1.00 64.31 C ATOM 1040 ND1 HIS A 66 19.350 -13.282 16.529 1.00 12.41 N ATOM 1041 CD2 HIS A 66 20.668 -13.116 14.797 1.00 62.34 C ATOM 1042 CE1 HIS A 66 20.490 -13.867 16.849 1.00 70.44 C ATOM 1043 NE2 HIS A 66 21.307 -13.781 15.814 1.00 31.23 N ATOM 0 H HIS A 66 16.338 -12.405 13.120 1.00 14.23 H new ATOM 0 HA HIS A 66 16.992 -13.376 15.661 1.00 73.43 H new ATOM 0 HB2 HIS A 66 18.320 -12.305 13.503 1.00 43.14 H new ATOM 0 HB3 HIS A 66 18.464 -11.000 14.663 1.00 43.14 H new ATOM 0 HD2 HIS A 66 21.077 -12.890 13.823 1.00 62.34 H new ATOM 0 HE1 HIS A 66 20.716 -14.336 17.795 1.00 70.44 H new ATOM 0 HE2 HIS A 66 22.258 -14.149 15.777 1.00 31.23 H new ATOM 1051 N LEU A 67 16.226 -10.153 15.611 1.00 60.52 N ATOM 1052 CA LEU A 67 15.792 -9.041 16.449 1.00 25.23 C ATOM 1053 C LEU A 67 14.373 -9.266 16.961 1.00 23.13 C ATOM 1054 O LEU A 67 14.070 -8.987 18.121 1.00 54.24 O ATOM 1055 CB LEU A 67 15.862 -7.729 15.666 1.00 23.02 C ATOM 1056 CG LEU A 67 14.883 -7.590 14.500 1.00 20.31 C ATOM 1057 CD1 LEU A 67 13.589 -6.940 14.964 1.00 31.32 C ATOM 1058 CD2 LEU A 67 15.510 -6.787 13.370 1.00 60.22 C ATOM 0 H LEU A 67 16.312 -9.926 14.620 1.00 60.52 H new ATOM 0 HA LEU A 67 16.462 -8.981 17.306 1.00 25.23 H new ATOM 0 HB2 LEU A 67 15.689 -6.906 16.359 1.00 23.02 H new ATOM 0 HB3 LEU A 67 16.875 -7.613 15.280 1.00 23.02 H new ATOM 0 HG LEU A 67 14.651 -8.587 14.125 1.00 20.31 H new ATOM 0 HD11 LEU A 67 12.905 -6.849 14.121 1.00 31.32 H new ATOM 0 HD12 LEU A 67 13.131 -7.554 15.739 1.00 31.32 H new ATOM 0 HD13 LEU A 67 13.803 -5.950 15.366 1.00 31.32 H new ATOM 0 HD21 LEU A 67 14.799 -6.698 12.549 1.00 60.22 H new ATOM 0 HD22 LEU A 67 15.772 -5.793 13.732 1.00 60.22 H new ATOM 0 HD23 LEU A 67 16.409 -7.294 13.019 1.00 60.22 H new ATOM 1070 N ALA A 68 13.509 -9.775 16.089 1.00 11.33 N ATOM 1071 CA ALA A 68 12.123 -10.041 16.454 1.00 22.43 C ATOM 1072 C ALA A 68 12.038 -11.093 17.556 1.00 41.25 C ATOM 1073 O ALA A 68 11.084 -11.115 18.332 1.00 51.00 O ATOM 1074 CB ALA A 68 11.332 -10.488 15.234 1.00 43.25 C ATOM 0 H ALA A 68 13.744 -10.011 15.125 1.00 11.33 H new ATOM 0 HA ALA A 68 11.690 -9.116 16.835 1.00 22.43 H new ATOM 0 HB1 ALA A 68 10.299 -10.683 15.522 1.00 43.25 H new ATOM 0 HB2 ALA A 68 11.356 -9.704 14.477 1.00 43.25 H new ATOM 0 HB3 ALA A 68 11.773 -11.398 14.828 1.00 43.25 H new ATOM 1080 N GLU A 69 13.042 -11.962 17.616 1.00 72.51 N ATOM 1081 CA GLU A 69 13.078 -13.017 18.622 1.00 61.41 C ATOM 1082 C GLU A 69 13.565 -12.474 19.962 1.00 21.53 C ATOM 1083 O GLU A 69 13.282 -13.046 21.015 1.00 23.41 O ATOM 1084 CB GLU A 69 13.986 -14.160 18.162 1.00 34.31 C ATOM 1085 CG GLU A 69 13.265 -15.218 17.344 1.00 72.42 C ATOM 1086 CD GLU A 69 13.004 -16.488 18.131 1.00 2.34 C ATOM 1087 OE1 GLU A 69 13.887 -16.888 18.919 1.00 70.22 O ATOM 1088 OE2 GLU A 69 11.919 -17.080 17.960 1.00 34.34 O ATOM 0 H GLU A 69 13.840 -11.956 16.981 1.00 72.51 H new ATOM 0 HA GLU A 69 12.064 -13.397 18.750 1.00 61.41 H new ATOM 0 HB2 GLU A 69 14.802 -13.748 17.569 1.00 34.31 H new ATOM 0 HB3 GLU A 69 14.434 -14.632 19.037 1.00 34.31 H new ATOM 0 HG2 GLU A 69 12.317 -14.814 16.989 1.00 72.42 H new ATOM 0 HG3 GLU A 69 13.859 -15.457 16.462 1.00 72.42 H new ATOM 1095 N TRP A 70 14.298 -11.368 19.914 1.00 23.33 N ATOM 1096 CA TRP A 70 14.826 -10.748 21.124 1.00 14.14 C ATOM 1097 C TRP A 70 13.749 -10.649 22.199 1.00 33.42 C ATOM 1098 O TRP A 70 13.953 -11.077 23.336 1.00 74.43 O ATOM 1099 CB TRP A 70 15.378 -9.357 20.810 1.00 44.12 C ATOM 1100 CG TRP A 70 16.305 -8.833 21.865 1.00 33.13 C ATOM 1101 CD1 TRP A 70 15.962 -8.398 23.114 1.00 41.34 C ATOM 1102 CD2 TRP A 70 17.725 -8.688 21.763 1.00 24.35 C ATOM 1103 NE1 TRP A 70 17.084 -7.991 23.794 1.00 45.21 N ATOM 1104 CE2 TRP A 70 18.179 -8.160 22.988 1.00 41.21 C ATOM 1105 CE3 TRP A 70 18.659 -8.955 20.758 1.00 33.43 C ATOM 1106 CZ2 TRP A 70 19.524 -7.893 23.231 1.00 71.43 C ATOM 1107 CZ3 TRP A 70 19.993 -8.690 21.001 1.00 70.13 C ATOM 1108 CH2 TRP A 70 20.416 -8.164 22.229 1.00 72.32 C ATOM 0 H TRP A 70 14.540 -10.882 19.051 1.00 23.33 H new ATOM 0 HA TRP A 70 15.634 -11.376 21.501 1.00 14.14 H new ATOM 0 HB2 TRP A 70 15.906 -9.390 19.857 1.00 44.12 H new ATOM 0 HB3 TRP A 70 14.546 -8.663 20.690 1.00 44.12 H new ATOM 0 HD1 TRP A 70 14.957 -8.377 23.508 1.00 41.34 H new ATOM 0 HE1 TRP A 70 17.099 -7.623 24.745 1.00 45.21 H new ATOM 0 HE3 TRP A 70 18.343 -9.361 19.808 1.00 33.43 H new ATOM 0 HZ2 TRP A 70 19.852 -7.487 24.176 1.00 71.43 H new ATOM 0 HZ3 TRP A 70 20.723 -8.892 20.231 1.00 70.13 H new ATOM 0 HH2 TRP A 70 21.466 -7.969 22.388 1.00 72.32 H new ATOM 1119 N ILE A 71 12.603 -10.084 21.833 1.00 5.21 N ATOM 1120 CA ILE A 71 11.495 -9.931 22.767 1.00 73.21 C ATOM 1121 C ILE A 71 11.170 -11.253 23.455 1.00 13.41 C ATOM 1122 O ILE A 71 10.849 -11.284 24.644 1.00 2.41 O ATOM 1123 CB ILE A 71 10.230 -9.409 22.059 1.00 23.40 C ATOM 1124 CG1 ILE A 71 9.953 -10.226 20.795 1.00 4.00 C ATOM 1125 CG2 ILE A 71 10.384 -7.934 21.720 1.00 33.22 C ATOM 1126 CD1 ILE A 71 8.710 -11.082 20.889 1.00 30.32 C ATOM 0 H ILE A 71 12.418 -9.725 20.896 1.00 5.21 H new ATOM 0 HA ILE A 71 11.810 -9.203 23.514 1.00 73.21 H new ATOM 0 HB ILE A 71 9.381 -9.520 22.734 1.00 23.40 H new ATOM 0 HG12 ILE A 71 9.854 -9.547 19.948 1.00 4.00 H new ATOM 0 HG13 ILE A 71 10.811 -10.867 20.591 1.00 4.00 H new ATOM 0 HG21 ILE A 71 9.483 -7.579 21.220 1.00 33.22 H new ATOM 0 HG22 ILE A 71 10.539 -7.364 22.636 1.00 33.22 H new ATOM 0 HG23 ILE A 71 11.241 -7.800 21.060 1.00 33.22 H new ATOM 0 HD11 ILE A 71 8.576 -11.633 19.958 1.00 30.32 H new ATOM 0 HD12 ILE A 71 8.814 -11.786 21.715 1.00 30.32 H new ATOM 0 HD13 ILE A 71 7.842 -10.446 21.062 1.00 30.32 H new ATOM 1138 N LEU A 72 11.256 -12.343 22.701 1.00 0.21 N ATOM 1139 CA LEU A 72 10.973 -13.669 23.239 1.00 60.25 C ATOM 1140 C LEU A 72 12.085 -14.125 24.178 1.00 41.31 C ATOM 1141 O LEU A 72 11.821 -14.696 25.236 1.00 45.45 O ATOM 1142 CB LEU A 72 10.806 -14.677 22.100 1.00 25.43 C ATOM 1143 CG LEU A 72 9.973 -14.210 20.906 1.00 30.25 C ATOM 1144 CD1 LEU A 72 10.282 -15.051 19.678 1.00 60.52 C ATOM 1145 CD2 LEU A 72 8.489 -14.270 21.236 1.00 14.24 C ATOM 0 H LEU A 72 11.519 -12.335 21.716 1.00 0.21 H new ATOM 0 HA LEU A 72 10.044 -13.613 23.807 1.00 60.25 H new ATOM 0 HB2 LEU A 72 11.796 -14.955 21.740 1.00 25.43 H new ATOM 0 HB3 LEU A 72 10.349 -15.580 22.505 1.00 25.43 H new ATOM 0 HG LEU A 72 10.235 -13.175 20.687 1.00 30.25 H new ATOM 0 HD11 LEU A 72 9.680 -14.704 18.838 1.00 60.52 H new ATOM 0 HD12 LEU A 72 11.339 -14.957 19.429 1.00 60.52 H new ATOM 0 HD13 LEU A 72 10.049 -16.096 19.884 1.00 60.52 H new ATOM 0 HD21 LEU A 72 7.911 -13.934 20.375 1.00 14.24 H new ATOM 0 HD22 LEU A 72 8.212 -15.295 21.481 1.00 14.24 H new ATOM 0 HD23 LEU A 72 8.279 -13.624 22.088 1.00 14.24 H new ATOM 1157 N GLU A 73 13.328 -13.866 23.784 1.00 3.04 N ATOM 1158 CA GLU A 73 14.480 -14.249 24.593 1.00 51.32 C ATOM 1159 C GLU A 73 14.445 -13.556 25.952 1.00 41.41 C ATOM 1160 O GLU A 73 14.932 -14.092 26.948 1.00 70.23 O ATOM 1161 CB GLU A 73 15.780 -13.902 23.865 1.00 62.05 C ATOM 1162 CG GLU A 73 16.972 -14.728 24.320 1.00 54.22 C ATOM 1163 CD GLU A 73 16.917 -16.157 23.817 1.00 32.41 C ATOM 1164 OE1 GLU A 73 16.233 -16.404 22.802 1.00 35.34 O ATOM 1165 OE2 GLU A 73 17.559 -17.029 24.439 1.00 21.33 O ATOM 0 H GLU A 73 13.563 -13.393 22.911 1.00 3.04 H new ATOM 0 HA GLU A 73 14.438 -15.326 24.753 1.00 51.32 H new ATOM 0 HB2 GLU A 73 15.636 -14.046 22.794 1.00 62.05 H new ATOM 0 HB3 GLU A 73 16.001 -12.846 24.018 1.00 62.05 H new ATOM 0 HG2 GLU A 73 17.890 -14.258 23.968 1.00 54.22 H new ATOM 0 HG3 GLU A 73 17.012 -14.731 25.409 1.00 54.22 H new ATOM 1172 N HIS A 74 13.866 -12.359 25.985 1.00 63.40 N ATOM 1173 CA HIS A 74 13.767 -11.592 27.221 1.00 4.23 C ATOM 1174 C HIS A 74 12.415 -11.813 27.892 1.00 71.43 C ATOM 1175 O HIS A 74 12.343 -12.088 29.090 1.00 61.30 O ATOM 1176 CB HIS A 74 13.972 -10.103 26.940 1.00 64.01 C ATOM 1177 CG HIS A 74 14.563 -9.351 28.093 1.00 63.32 C ATOM 1178 ND1 HIS A 74 13.806 -8.611 28.976 1.00 41.12 N ATOM 1179 CD2 HIS A 74 15.846 -9.230 28.506 1.00 5.10 C ATOM 1180 CE1 HIS A 74 14.598 -8.065 29.881 1.00 21.14 C ATOM 1181 NE2 HIS A 74 15.841 -8.426 29.619 1.00 4.40 N ATOM 0 H HIS A 74 13.459 -11.900 25.170 1.00 63.40 H new ATOM 0 HA HIS A 74 14.549 -11.938 27.897 1.00 4.23 H new ATOM 0 HB2 HIS A 74 14.623 -9.992 26.073 1.00 64.01 H new ATOM 0 HB3 HIS A 74 13.013 -9.656 26.679 1.00 64.01 H new ATOM 0 HD2 HIS A 74 16.712 -9.682 28.046 1.00 5.10 H new ATOM 0 HE1 HIS A 74 14.283 -7.431 30.697 1.00 21.14 H new ATOM 0 HE2 HIS A 74 16.664 -8.152 30.156 1.00 4.40 H new