USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 THR OG1 : rot 180:sc= 0.0913 USER MOD Set 1.2: A 67 SER OG : rot -58:sc= -1.45 USER MOD Single : A 11 SER OG : rot 82:sc= 1.1 USER MOD Single : A 16 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.068) USER MOD Single : A 17 MET CE :methyl -155:sc= -0.0918 (180deg=-0.923) USER MOD Single : A 18 HIS : no HD1:sc= -0.0759 X(o=-0.076,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0997 USER MOD Single : A 30 MET CE :methyl 178:sc= -1.35 (180deg=-1.37) USER MOD Single : A 31 THR OG1 : rot -67:sc= 0.247! USER MOD Single : A 34 SER OG : rot 180:sc=0.000518 USER MOD Single : A 36 LYS NZ :NH3+ -119:sc= 0.0271 (180deg=-1.52!) USER MOD Single : A 38 MET CE :methyl -166:sc= -4.03! (180deg=-4.67!) USER MOD Single : A 43 TYR OH : rot 150:sc= -0.0661 USER MOD Single : A 50 GLN : amide:sc= -3.7! C(o=-3.7!,f=-11!) USER MOD Single : A 51 GLN : amide:sc= -4.44! C(o=-4.4!,f=-4.9!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HE2:sc= -1.71 K(o=-1.7,f=-5.9!) USER MOD Single : A 68 HIS : no HD1:sc= -1.74! C(o=-1.7!,f=-9.8!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.0537! C(o=-0.054!,f=-7.1!) USER MOD Single : A 76 SER OG : rot -68:sc= 1.17 USER MOD Single : A 78 TYR OH : rot 180:sc= -1.75 USER MOD Single : A 80 TYR OH : rot -122:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 65 N ASP A 5 7.050 -7.185 0.812 1.00 70.34 N ATOM 66 CA ASP A 5 8.231 -7.779 1.421 1.00 52.01 C ATOM 67 C ASP A 5 8.067 -9.277 1.435 1.00 14.04 C ATOM 68 O ASP A 5 6.972 -9.785 1.176 1.00 34.30 O ATOM 69 CB ASP A 5 8.395 -7.312 2.876 1.00 72.04 C ATOM 70 CG ASP A 5 8.891 -5.884 2.962 1.00 32.43 C ATOM 71 OD1 ASP A 5 8.480 -5.070 2.161 1.00 71.24 O ATOM 72 OD2 ASP A 5 9.690 -5.610 3.832 1.00 63.22 O ATOM 0 HA ASP A 5 9.105 -7.476 0.844 1.00 52.01 H new ATOM 0 HB2 ASP A 5 7.439 -7.395 3.393 1.00 72.04 H new ATOM 0 HB3 ASP A 5 9.095 -7.970 3.391 1.00 72.04 H new ATOM 77 N ILE A 6 9.091 -9.969 1.870 1.00 61.21 N ATOM 78 CA ILE A 6 8.996 -11.390 2.081 1.00 73.32 C ATOM 79 C ILE A 6 9.470 -11.722 3.484 1.00 11.45 C ATOM 80 O ILE A 6 10.260 -10.972 4.068 1.00 13.11 O ATOM 81 CB ILE A 6 9.790 -12.158 1.018 1.00 22.15 C ATOM 82 CG1 ILE A 6 11.270 -11.782 1.076 1.00 42.14 C ATOM 83 CG2 ILE A 6 9.248 -11.809 -0.369 1.00 61.31 C ATOM 84 CD1 ILE A 6 12.053 -12.718 0.164 1.00 10.12 C ATOM 0 H ILE A 6 10.004 -9.568 2.085 1.00 61.21 H new ATOM 0 HA ILE A 6 7.956 -11.700 1.983 1.00 73.32 H new ATOM 0 HB ILE A 6 9.685 -13.226 1.210 1.00 22.15 H new ATOM 0 HG12 ILE A 6 11.409 -10.747 0.763 1.00 42.14 H new ATOM 0 HG13 ILE A 6 11.638 -11.857 2.099 1.00 42.14 H new ATOM 0 HG21 ILE A 6 9.811 -12.354 -1.127 1.00 61.31 H new ATOM 0 HG22 ILE A 6 8.196 -12.087 -0.429 1.00 61.31 H new ATOM 0 HG23 ILE A 6 9.351 -10.738 -0.541 1.00 61.31 H new ATOM 0 HD11 ILE A 6 13.111 -12.458 0.198 1.00 10.12 H new ATOM 0 HD12 ILE A 6 11.921 -13.747 0.499 1.00 10.12 H new ATOM 0 HD13 ILE A 6 11.688 -12.620 -0.858 1.00 10.12 H new ATOM 96 N ARG A 7 8.965 -12.808 4.043 1.00 43.32 N ATOM 97 CA ARG A 7 9.339 -13.184 5.393 1.00 44.44 C ATOM 98 C ARG A 7 10.206 -14.414 5.368 1.00 14.40 C ATOM 99 O ARG A 7 9.810 -15.448 4.809 1.00 73.14 O ATOM 100 CB ARG A 7 8.102 -13.415 6.280 1.00 13.53 C ATOM 101 CG ARG A 7 7.221 -12.158 6.245 1.00 74.33 C ATOM 102 CD ARG A 7 6.162 -12.216 7.354 1.00 62.21 C ATOM 103 NE ARG A 7 5.220 -13.311 7.157 1.00 62.41 N ATOM 104 CZ ARG A 7 4.327 -13.628 8.107 1.00 20.20 C ATOM 105 NH1 ARG A 7 4.281 -12.927 9.213 1.00 41.23 N ATOM 106 NH2 ARG A 7 3.495 -14.613 7.924 1.00 33.44 N ATOM 0 H ARG A 7 8.303 -13.437 3.589 1.00 43.32 H new ATOM 0 HA ARG A 7 9.905 -12.359 5.826 1.00 44.44 H new ATOM 0 HB2 ARG A 7 7.540 -14.279 5.925 1.00 13.53 H new ATOM 0 HB3 ARG A 7 8.408 -13.632 7.303 1.00 13.53 H new ATOM 0 HG2 ARG A 7 7.839 -11.269 6.370 1.00 74.33 H new ATOM 0 HG3 ARG A 7 6.735 -12.074 5.273 1.00 74.33 H new ATOM 0 HD2 ARG A 7 6.655 -12.332 8.319 1.00 62.21 H new ATOM 0 HD3 ARG A 7 5.618 -11.272 7.385 1.00 62.21 H new ATOM 0 HE ARG A 7 5.240 -13.842 6.287 1.00 62.41 H new ATOM 0 HH11 ARG A 7 4.922 -12.145 9.348 1.00 41.23 H new ATOM 0 HH12 ARG A 7 3.604 -13.163 9.939 1.00 41.23 H new ATOM 0 HH21 ARG A 7 3.520 -15.147 7.056 1.00 33.44 H new ATOM 0 HH22 ARG A 7 2.818 -14.850 8.649 1.00 33.44 H new ATOM 120 N LEU A 8 11.361 -14.304 6.001 1.00 14.31 N ATOM 121 CA LEU A 8 12.320 -15.384 6.057 1.00 32.33 C ATOM 122 C LEU A 8 12.356 -15.951 7.460 1.00 71.45 C ATOM 123 O LEU A 8 12.536 -15.201 8.438 1.00 32.14 O ATOM 124 CB LEU A 8 13.717 -14.858 5.678 1.00 51.41 C ATOM 125 CG LEU A 8 14.667 -16.035 5.395 1.00 41.23 C ATOM 126 CD1 LEU A 8 15.786 -15.584 4.454 1.00 43.15 C ATOM 127 CD2 LEU A 8 15.277 -16.556 6.694 1.00 70.54 C ATOM 0 H LEU A 8 11.657 -13.460 6.491 1.00 14.31 H new ATOM 0 HA LEU A 8 12.028 -16.165 5.355 1.00 32.33 H new ATOM 0 HB2 LEU A 8 13.647 -14.218 4.799 1.00 51.41 H new ATOM 0 HB3 LEU A 8 14.115 -14.246 6.487 1.00 51.41 H new ATOM 0 HG LEU A 8 14.095 -16.836 4.927 1.00 41.23 H new ATOM 0 HD11 LEU A 8 16.455 -16.421 4.257 1.00 43.15 H new ATOM 0 HD12 LEU A 8 15.354 -15.236 3.516 1.00 43.15 H new ATOM 0 HD13 LEU A 8 16.347 -14.773 4.918 1.00 43.15 H new ATOM 0 HD21 LEU A 8 15.946 -17.388 6.474 1.00 70.54 H new ATOM 0 HD22 LEU A 8 15.839 -15.757 7.178 1.00 70.54 H new ATOM 0 HD23 LEU A 8 14.482 -16.895 7.359 1.00 70.54 H new ATOM 139 N TRP A 9 12.220 -17.262 7.570 1.00 31.14 N ATOM 140 CA TRP A 9 12.305 -17.912 8.867 1.00 63.14 C ATOM 141 C TRP A 9 13.736 -18.343 9.084 1.00 61.44 C ATOM 142 O TRP A 9 14.301 -19.061 8.256 1.00 73.50 O ATOM 143 CB TRP A 9 11.405 -19.148 8.911 1.00 41.11 C ATOM 144 CG TRP A 9 10.143 -18.905 8.157 1.00 41.10 C ATOM 145 CD1 TRP A 9 9.477 -17.733 8.093 1.00 3.20 C ATOM 146 CD2 TRP A 9 9.403 -19.839 7.347 1.00 21.14 C ATOM 147 NE1 TRP A 9 8.356 -17.903 7.302 1.00 72.32 N ATOM 148 CE2 TRP A 9 8.271 -19.188 6.816 1.00 32.42 C ATOM 149 CE3 TRP A 9 9.602 -21.183 7.029 1.00 61.33 C ATOM 150 CZ2 TRP A 9 7.367 -19.853 5.996 1.00 2.34 C ATOM 151 CZ3 TRP A 9 8.707 -21.857 6.201 1.00 53.55 C ATOM 152 CH2 TRP A 9 7.585 -21.192 5.683 1.00 21.20 C ATOM 0 H TRP A 9 12.052 -17.892 6.785 1.00 31.14 H new ATOM 0 HA TRP A 9 11.981 -17.217 9.642 1.00 63.14 H new ATOM 0 HB2 TRP A 9 11.931 -20.003 8.485 1.00 41.11 H new ATOM 0 HB3 TRP A 9 11.174 -19.400 9.946 1.00 41.11 H new ATOM 0 HD1 TRP A 9 9.771 -16.815 8.579 1.00 3.20 H new ATOM 0 HE1 TRP A 9 7.677 -17.168 7.103 1.00 72.32 H new ATOM 0 HE3 TRP A 9 10.458 -21.706 7.429 1.00 61.33 H new ATOM 0 HZ2 TRP A 9 6.503 -19.336 5.605 1.00 2.34 H new ATOM 0 HZ3 TRP A 9 8.877 -22.895 5.957 1.00 53.55 H new ATOM 0 HH2 TRP A 9 6.892 -21.718 5.043 1.00 21.20 H new ATOM 163 N VAL A 10 14.333 -17.922 10.168 1.00 73.13 N ATOM 164 CA VAL A 10 15.717 -18.264 10.409 1.00 21.41 C ATOM 165 C VAL A 10 15.831 -19.246 11.560 1.00 54.12 C ATOM 166 O VAL A 10 15.331 -18.992 12.661 1.00 12.11 O ATOM 167 CB VAL A 10 16.539 -17.000 10.697 1.00 41.13 C ATOM 168 CG1 VAL A 10 18.013 -17.254 10.380 1.00 72.42 C ATOM 169 CG2 VAL A 10 16.029 -15.824 9.851 1.00 2.31 C ATOM 0 H VAL A 10 13.894 -17.350 10.890 1.00 73.13 H new ATOM 0 HA VAL A 10 16.116 -18.739 9.512 1.00 21.41 H new ATOM 0 HB VAL A 10 16.431 -16.750 11.753 1.00 41.13 H new ATOM 0 HG11 VAL A 10 18.590 -16.353 10.587 1.00 72.42 H new ATOM 0 HG12 VAL A 10 18.383 -18.072 10.999 1.00 72.42 H new ATOM 0 HG13 VAL A 10 18.118 -17.519 9.328 1.00 72.42 H new ATOM 0 HG21 VAL A 10 16.623 -14.936 10.067 1.00 2.31 H new ATOM 0 HG22 VAL A 10 16.118 -16.071 8.793 1.00 2.31 H new ATOM 0 HG23 VAL A 10 14.984 -15.629 10.091 1.00 2.31 H new ATOM 179 N SER A 11 16.518 -20.345 11.307 1.00 71.44 N ATOM 180 CA SER A 11 16.751 -21.359 12.313 1.00 32.15 C ATOM 181 C SER A 11 18.033 -21.014 13.046 1.00 55.14 C ATOM 182 O SER A 11 19.099 -20.998 12.435 1.00 33.30 O ATOM 183 CB SER A 11 16.916 -22.725 11.626 1.00 73.42 C ATOM 184 OG SER A 11 16.228 -22.720 10.359 1.00 53.13 O ATOM 0 H SER A 11 16.929 -20.558 10.398 1.00 71.44 H new ATOM 0 HA SER A 11 15.914 -21.401 13.010 1.00 32.15 H new ATOM 0 HB2 SER A 11 17.974 -22.941 11.475 1.00 73.42 H new ATOM 0 HB3 SER A 11 16.517 -23.514 12.264 1.00 73.42 H new ATOM 0 HG SER A 11 16.797 -22.303 9.679 1.00 53.13 H new ATOM 190 N VAL A 12 17.940 -20.703 14.324 1.00 44.50 N ATOM 191 CA VAL A 12 19.116 -20.306 15.074 1.00 65.33 C ATOM 192 C VAL A 12 19.581 -21.433 15.973 1.00 31.54 C ATOM 193 O VAL A 12 18.843 -21.862 16.870 1.00 45.10 O ATOM 194 CB VAL A 12 18.822 -19.053 15.926 1.00 22.42 C ATOM 195 CG1 VAL A 12 20.137 -18.348 16.307 1.00 53.10 C ATOM 196 CG2 VAL A 12 17.928 -18.077 15.148 1.00 44.14 C ATOM 0 H VAL A 12 17.073 -20.717 14.860 1.00 44.50 H new ATOM 0 HA VAL A 12 19.905 -20.072 14.360 1.00 65.33 H new ATOM 0 HB VAL A 12 18.306 -19.368 16.833 1.00 22.42 H new ATOM 0 HG11 VAL A 12 19.916 -17.466 16.908 1.00 53.10 H new ATOM 0 HG12 VAL A 12 20.763 -19.031 16.882 1.00 53.10 H new ATOM 0 HG13 VAL A 12 20.664 -18.048 15.402 1.00 53.10 H new ATOM 0 HG21 VAL A 12 17.729 -17.198 15.761 1.00 44.14 H new ATOM 0 HG22 VAL A 12 18.433 -17.773 14.231 1.00 44.14 H new ATOM 0 HG23 VAL A 12 16.986 -18.566 14.898 1.00 44.14 H new ATOM 206 N GLU A 13 20.843 -21.820 15.811 1.00 65.32 N ATOM 207 CA GLU A 13 21.469 -22.789 16.695 1.00 15.40 C ATOM 208 C GLU A 13 22.623 -22.165 17.452 1.00 23.23 C ATOM 209 O GLU A 13 23.593 -21.677 16.847 1.00 42.34 O ATOM 210 CB GLU A 13 21.955 -24.034 15.941 1.00 20.03 C ATOM 211 CG GLU A 13 20.771 -24.946 15.607 1.00 1.01 C ATOM 212 CD GLU A 13 21.284 -26.288 15.137 1.00 64.42 C ATOM 213 OE1 GLU A 13 22.058 -26.320 14.199 1.00 14.21 O ATOM 214 OE2 GLU A 13 20.925 -27.274 15.729 1.00 34.31 O ATOM 0 H GLU A 13 21.452 -21.473 15.070 1.00 65.32 H new ATOM 0 HA GLU A 13 20.703 -23.105 17.404 1.00 15.40 H new ATOM 0 HB2 GLU A 13 22.465 -23.737 15.024 1.00 20.03 H new ATOM 0 HB3 GLU A 13 22.681 -24.575 16.548 1.00 20.03 H new ATOM 0 HG2 GLU A 13 20.138 -25.074 16.485 1.00 1.01 H new ATOM 0 HG3 GLU A 13 20.154 -24.490 14.833 1.00 1.01 H new ATOM 221 N ASP A 14 22.541 -22.213 18.767 1.00 22.33 N ATOM 222 CA ASP A 14 23.602 -21.701 19.619 1.00 31.53 C ATOM 223 C ASP A 14 24.637 -22.771 19.874 1.00 2.03 C ATOM 224 O ASP A 14 24.305 -23.956 19.990 1.00 12.43 O ATOM 225 CB ASP A 14 23.043 -21.206 20.950 1.00 1.42 C ATOM 226 CG ASP A 14 24.121 -20.507 21.772 1.00 22.13 C ATOM 227 OD1 ASP A 14 25.172 -20.213 21.236 1.00 34.20 O ATOM 228 OD2 ASP A 14 23.879 -20.281 22.928 1.00 24.52 O ATOM 0 H ASP A 14 21.746 -22.603 19.273 1.00 22.33 H new ATOM 0 HA ASP A 14 24.069 -20.863 19.101 1.00 31.53 H new ATOM 0 HB2 ASP A 14 22.217 -20.518 20.768 1.00 1.42 H new ATOM 0 HB3 ASP A 14 22.639 -22.047 21.514 1.00 1.42 H new ATOM 233 N ALA A 15 25.861 -22.342 20.082 1.00 64.23 N ATOM 234 CA ALA A 15 26.952 -23.240 20.420 1.00 62.10 C ATOM 235 C ALA A 15 26.609 -24.016 21.670 1.00 0.30 C ATOM 236 O ALA A 15 27.048 -25.153 21.854 1.00 4.10 O ATOM 237 CB ALA A 15 28.227 -22.444 20.659 1.00 72.21 C ATOM 0 H ALA A 15 26.133 -21.361 20.023 1.00 64.23 H new ATOM 0 HA ALA A 15 27.107 -23.931 19.592 1.00 62.10 H new ATOM 0 HB1 ALA A 15 29.039 -23.125 20.912 1.00 72.21 H new ATOM 0 HB2 ALA A 15 28.485 -21.891 19.756 1.00 72.21 H new ATOM 0 HB3 ALA A 15 28.071 -21.745 21.481 1.00 72.21 H new ATOM 243 N GLN A 16 25.789 -23.412 22.506 1.00 3.31 N ATOM 244 CA GLN A 16 25.333 -24.045 23.728 1.00 70.51 C ATOM 245 C GLN A 16 24.267 -25.094 23.430 1.00 44.44 C ATOM 246 O GLN A 16 23.619 -25.609 24.340 1.00 43.52 O ATOM 247 CB GLN A 16 24.818 -22.987 24.706 1.00 25.04 C ATOM 248 CG GLN A 16 26.021 -22.222 25.272 1.00 60.51 C ATOM 249 CD GLN A 16 25.759 -20.728 25.251 1.00 52.33 C ATOM 250 OE1 GLN A 16 25.028 -20.207 26.101 1.00 42.31 O ATOM 251 NE2 GLN A 16 26.304 -20.005 24.325 1.00 32.13 N ATOM 0 H GLN A 16 25.421 -22.472 22.359 1.00 3.31 H new ATOM 0 HA GLN A 16 26.174 -24.559 24.194 1.00 70.51 H new ATOM 0 HB2 GLN A 16 24.138 -22.302 24.200 1.00 25.04 H new ATOM 0 HB3 GLN A 16 24.255 -23.458 25.512 1.00 25.04 H new ATOM 0 HG2 GLN A 16 26.219 -22.548 26.293 1.00 60.51 H new ATOM 0 HG3 GLN A 16 26.912 -22.449 24.687 1.00 60.51 H new ATOM 0 HE21 GLN A 16 26.906 -20.440 23.626 1.00 32.13 H new ATOM 0 HE22 GLN A 16 26.131 -19.000 24.294 1.00 32.13 H new ATOM 260 N MET A 17 24.111 -25.410 22.147 1.00 5.31 N ATOM 261 CA MET A 17 23.150 -26.407 21.677 1.00 12.12 C ATOM 262 C MET A 17 21.723 -25.941 21.891 1.00 54.32 C ATOM 263 O MET A 17 20.828 -26.745 22.163 1.00 30.13 O ATOM 264 CB MET A 17 23.373 -27.772 22.352 1.00 21.12 C ATOM 265 CG MET A 17 24.751 -28.325 21.967 1.00 2.23 C ATOM 266 SD MET A 17 24.924 -30.005 22.618 1.00 25.23 S ATOM 267 CE MET A 17 24.975 -29.578 24.379 1.00 74.04 C ATOM 0 H MET A 17 24.652 -24.979 21.397 1.00 5.31 H new ATOM 0 HA MET A 17 23.315 -26.528 20.606 1.00 12.12 H new ATOM 0 HB2 MET A 17 23.303 -27.668 23.435 1.00 21.12 H new ATOM 0 HB3 MET A 17 22.593 -28.470 22.047 1.00 21.12 H new ATOM 0 HG2 MET A 17 24.864 -28.329 20.883 1.00 2.23 H new ATOM 0 HG3 MET A 17 25.537 -27.685 22.367 1.00 2.23 H new ATOM 0 HE1 MET A 17 25.504 -30.358 24.927 1.00 74.04 H new ATOM 0 HE2 MET A 17 25.494 -28.628 24.508 1.00 74.04 H new ATOM 0 HE3 MET A 17 23.958 -29.491 24.762 1.00 74.04 H new ATOM 277 N HIS A 18 21.501 -24.653 21.724 1.00 43.51 N ATOM 278 CA HIS A 18 20.163 -24.089 21.847 1.00 22.43 C ATOM 279 C HIS A 18 19.624 -23.775 20.470 1.00 34.12 C ATOM 280 O HIS A 18 20.318 -23.151 19.658 1.00 31.44 O ATOM 281 CB HIS A 18 20.195 -22.813 22.697 1.00 70.50 C ATOM 282 CG HIS A 18 20.696 -23.141 24.079 1.00 40.41 C ATOM 283 ND1 HIS A 18 21.252 -22.182 24.908 1.00 0.13 N ATOM 284 CD2 HIS A 18 20.728 -24.317 24.791 1.00 21.11 C ATOM 285 CE1 HIS A 18 21.592 -22.793 26.063 1.00 21.41 C ATOM 286 NE2 HIS A 18 21.292 -24.097 26.040 1.00 74.45 N ATOM 0 H HIS A 18 22.228 -23.973 21.502 1.00 43.51 H new ATOM 0 HA HIS A 18 19.515 -24.815 22.338 1.00 22.43 H new ATOM 0 HB2 HIS A 18 20.842 -22.070 22.231 1.00 70.50 H new ATOM 0 HB3 HIS A 18 19.198 -22.377 22.754 1.00 70.50 H new ATOM 0 HD2 HIS A 18 20.368 -25.270 24.432 1.00 21.11 H new ATOM 0 HE1 HIS A 18 22.050 -22.291 26.902 1.00 21.41 H new ATOM 0 HE2 HIS A 18 21.445 -24.782 26.781 1.00 74.45 H new ATOM 295 N THR A 19 18.422 -24.256 20.187 1.00 71.41 N ATOM 296 CA THR A 19 17.817 -24.073 18.880 1.00 41.11 C ATOM 297 C THR A 19 16.578 -23.192 18.984 1.00 2.13 C ATOM 298 O THR A 19 15.604 -23.563 19.648 1.00 64.45 O ATOM 299 CB THR A 19 17.408 -25.440 18.315 1.00 2.14 C ATOM 300 OG1 THR A 19 18.488 -26.358 18.454 1.00 11.24 O ATOM 301 CG2 THR A 19 17.042 -25.304 16.832 1.00 20.53 C ATOM 0 H THR A 19 17.847 -24.777 20.849 1.00 71.41 H new ATOM 0 HA THR A 19 18.542 -23.593 18.223 1.00 41.11 H new ATOM 0 HB THR A 19 16.543 -25.808 18.867 1.00 2.14 H new ATOM 0 HG1 THR A 19 18.224 -27.231 18.094 1.00 11.24 H new ATOM 0 HG21 THR A 19 16.753 -26.278 16.438 1.00 20.53 H new ATOM 0 HG22 THR A 19 16.210 -24.608 16.725 1.00 20.53 H new ATOM 0 HG23 THR A 19 17.903 -24.929 16.278 1.00 20.53 H new ATOM 309 N VAL A 20 16.565 -22.097 18.241 1.00 62.44 N ATOM 310 CA VAL A 20 15.384 -21.249 18.153 1.00 2.05 C ATOM 311 C VAL A 20 15.158 -20.799 16.718 1.00 1.51 C ATOM 312 O VAL A 20 16.083 -20.817 15.902 1.00 15.42 O ATOM 313 CB VAL A 20 15.483 -20.037 19.103 1.00 22.23 C ATOM 314 CG1 VAL A 20 15.505 -20.519 20.558 1.00 41.33 C ATOM 315 CG2 VAL A 20 16.758 -19.241 18.817 1.00 52.53 C ATOM 0 H VAL A 20 17.359 -21.773 17.689 1.00 62.44 H new ATOM 0 HA VAL A 20 14.524 -21.840 18.470 1.00 2.05 H new ATOM 0 HB VAL A 20 14.616 -19.396 18.941 1.00 22.23 H new ATOM 0 HG11 VAL A 20 15.575 -19.660 21.225 1.00 41.33 H new ATOM 0 HG12 VAL A 20 14.590 -21.071 20.772 1.00 41.33 H new ATOM 0 HG13 VAL A 20 16.366 -21.169 20.713 1.00 41.33 H new ATOM 0 HG21 VAL A 20 16.815 -18.389 19.494 1.00 52.53 H new ATOM 0 HG22 VAL A 20 17.628 -19.881 18.965 1.00 52.53 H new ATOM 0 HG23 VAL A 20 16.741 -18.885 17.787 1.00 52.53 H new ATOM 325 N THR A 21 13.951 -20.369 16.422 1.00 63.53 N ATOM 326 CA THR A 21 13.624 -19.879 15.098 1.00 44.25 C ATOM 327 C THR A 21 13.246 -18.412 15.186 1.00 12.41 C ATOM 328 O THR A 21 12.526 -18.015 16.104 1.00 11.33 O ATOM 329 CB THR A 21 12.449 -20.675 14.514 1.00 65.22 C ATOM 330 OG1 THR A 21 12.673 -22.070 14.714 1.00 25.54 O ATOM 331 CG2 THR A 21 12.327 -20.395 13.007 1.00 10.42 C ATOM 0 H THR A 21 13.175 -20.348 17.083 1.00 63.53 H new ATOM 0 HA THR A 21 14.491 -20.000 14.449 1.00 44.25 H new ATOM 0 HB THR A 21 11.529 -20.373 15.015 1.00 65.22 H new ATOM 0 HG1 THR A 21 11.922 -22.578 14.343 1.00 25.54 H new ATOM 0 HG21 THR A 21 11.491 -20.963 12.598 1.00 10.42 H new ATOM 0 HG22 THR A 21 12.155 -19.331 12.847 1.00 10.42 H new ATOM 0 HG23 THR A 21 13.248 -20.693 12.506 1.00 10.42 H new ATOM 339 N ILE A 22 13.712 -17.614 14.239 1.00 41.12 N ATOM 340 CA ILE A 22 13.335 -16.208 14.187 1.00 63.41 C ATOM 341 C ILE A 22 12.804 -15.872 12.800 1.00 15.43 C ATOM 342 O ILE A 22 13.144 -16.547 11.821 1.00 50.41 O ATOM 343 CB ILE A 22 14.519 -15.297 14.569 1.00 35.34 C ATOM 344 CG1 ILE A 22 15.664 -15.480 13.577 1.00 65.05 C ATOM 345 CG2 ILE A 22 15.015 -15.656 15.973 1.00 31.40 C ATOM 346 CD1 ILE A 22 16.765 -14.454 13.861 1.00 75.44 C ATOM 0 H ILE A 22 14.348 -17.912 13.499 1.00 41.12 H new ATOM 0 HA ILE A 22 12.546 -16.029 14.917 1.00 63.41 H new ATOM 0 HB ILE A 22 14.183 -14.260 14.548 1.00 35.34 H new ATOM 0 HG12 ILE A 22 16.067 -16.490 13.654 1.00 65.05 H new ATOM 0 HG13 ILE A 22 15.297 -15.360 12.558 1.00 65.05 H new ATOM 0 HG21 ILE A 22 15.852 -15.010 16.239 1.00 31.40 H new ATOM 0 HG22 ILE A 22 14.207 -15.517 16.691 1.00 31.40 H new ATOM 0 HG23 ILE A 22 15.340 -16.696 15.989 1.00 31.40 H new ATOM 0 HD11 ILE A 22 17.580 -14.589 13.150 1.00 75.44 H new ATOM 0 HD12 ILE A 22 16.359 -13.447 13.761 1.00 75.44 H new ATOM 0 HD13 ILE A 22 17.141 -14.594 14.875 1.00 75.44 H new ATOM 358 N TRP A 23 11.949 -14.871 12.723 1.00 51.20 N ATOM 359 CA TRP A 23 11.333 -14.483 11.466 1.00 45.54 C ATOM 360 C TRP A 23 11.800 -13.104 11.057 1.00 3.15 C ATOM 361 O TRP A 23 11.637 -12.138 11.809 1.00 71.12 O ATOM 362 CB TRP A 23 9.804 -14.489 11.612 1.00 14.21 C ATOM 363 CG TRP A 23 9.332 -15.889 11.840 1.00 32.22 C ATOM 364 CD1 TRP A 23 8.707 -16.655 10.923 1.00 44.21 C ATOM 365 CD2 TRP A 23 9.433 -16.700 13.043 1.00 53.12 C ATOM 366 NE1 TRP A 23 8.431 -17.886 11.483 1.00 24.00 N ATOM 367 CE2 TRP A 23 8.855 -17.961 12.787 1.00 64.15 C ATOM 368 CE3 TRP A 23 9.968 -16.466 14.321 1.00 72.44 C ATOM 369 CZ2 TRP A 23 8.808 -18.956 13.757 1.00 24.32 C ATOM 370 CZ3 TRP A 23 9.920 -17.466 15.303 1.00 74.51 C ATOM 371 CH2 TRP A 23 9.340 -18.709 15.019 1.00 12.23 C ATOM 0 H TRP A 23 11.662 -14.306 13.523 1.00 51.20 H new ATOM 0 HA TRP A 23 11.626 -15.198 10.697 1.00 45.54 H new ATOM 0 HB2 TRP A 23 9.505 -13.853 12.445 1.00 14.21 H new ATOM 0 HB3 TRP A 23 9.340 -14.079 10.715 1.00 14.21 H new ATOM 0 HD1 TRP A 23 8.462 -16.354 9.915 1.00 44.21 H new ATOM 0 HE1 TRP A 23 7.968 -18.648 10.988 1.00 24.00 H new ATOM 0 HE3 TRP A 23 10.419 -15.511 14.548 1.00 72.44 H new ATOM 0 HZ2 TRP A 23 8.362 -19.914 13.533 1.00 24.32 H new ATOM 0 HZ3 TRP A 23 10.332 -17.277 16.283 1.00 74.51 H new ATOM 0 HH2 TRP A 23 9.306 -19.475 15.779 1.00 12.23 H new ATOM 382 N LEU A 24 12.320 -12.993 9.849 1.00 44.10 N ATOM 383 CA LEU A 24 12.755 -11.707 9.326 1.00 40.20 C ATOM 384 C LEU A 24 11.973 -11.357 8.073 1.00 52.40 C ATOM 385 O LEU A 24 11.851 -12.181 7.168 1.00 21.24 O ATOM 386 CB LEU A 24 14.258 -11.740 9.015 1.00 70.54 C ATOM 387 CG LEU A 24 15.047 -12.105 10.288 1.00 40.03 C ATOM 388 CD1 LEU A 24 16.541 -12.186 9.969 1.00 42.21 C ATOM 389 CD2 LEU A 24 14.819 -11.042 11.372 1.00 21.54 C ATOM 0 H LEU A 24 12.452 -13.777 9.210 1.00 44.10 H new ATOM 0 HA LEU A 24 12.569 -10.944 10.082 1.00 40.20 H new ATOM 0 HB2 LEU A 24 14.460 -12.468 8.230 1.00 70.54 H new ATOM 0 HB3 LEU A 24 14.583 -10.769 8.641 1.00 70.54 H new ATOM 0 HG LEU A 24 14.698 -13.072 10.650 1.00 40.03 H new ATOM 0 HD11 LEU A 24 17.093 -12.444 10.873 1.00 42.21 H new ATOM 0 HD12 LEU A 24 16.710 -12.950 9.210 1.00 42.21 H new ATOM 0 HD13 LEU A 24 16.886 -11.222 9.596 1.00 42.21 H new ATOM 0 HD21 LEU A 24 15.381 -11.309 12.267 1.00 21.54 H new ATOM 0 HD22 LEU A 24 15.157 -10.072 11.007 1.00 21.54 H new ATOM 0 HD23 LEU A 24 13.757 -10.989 11.612 1.00 21.54 H new ATOM 401 N THR A 25 11.497 -10.124 7.990 1.00 32.11 N ATOM 402 CA THR A 25 10.793 -9.674 6.806 1.00 20.03 C ATOM 403 C THR A 25 11.721 -8.813 5.962 1.00 15.11 C ATOM 404 O THR A 25 12.255 -7.798 6.435 1.00 30.42 O ATOM 405 CB THR A 25 9.536 -8.905 7.207 1.00 11.33 C ATOM 406 OG1 THR A 25 8.748 -9.726 8.066 1.00 74.12 O ATOM 407 CG2 THR A 25 8.719 -8.547 5.959 1.00 51.01 C ATOM 0 H THR A 25 11.586 -9.423 8.726 1.00 32.11 H new ATOM 0 HA THR A 25 10.484 -10.534 6.211 1.00 20.03 H new ATOM 0 HB THR A 25 9.821 -7.987 7.721 1.00 11.33 H new ATOM 0 HG1 THR A 25 7.939 -9.241 8.331 1.00 74.12 H new ATOM 0 HG21 THR A 25 7.824 -7.999 6.255 1.00 51.01 H new ATOM 0 HG22 THR A 25 9.322 -7.927 5.295 1.00 51.01 H new ATOM 0 HG23 THR A 25 8.430 -9.460 5.439 1.00 51.01 H new ATOM 415 N VAL A 26 11.995 -9.275 4.759 1.00 24.42 N ATOM 416 CA VAL A 26 12.971 -8.647 3.886 1.00 0.53 C ATOM 417 C VAL A 26 12.515 -8.710 2.435 1.00 14.44 C ATOM 418 O VAL A 26 11.377 -9.076 2.151 1.00 61.52 O ATOM 419 CB VAL A 26 14.339 -9.340 4.047 1.00 60.45 C ATOM 420 CG1 VAL A 26 14.814 -9.220 5.497 1.00 14.20 C ATOM 421 CG2 VAL A 26 14.212 -10.827 3.683 1.00 64.00 C ATOM 0 H VAL A 26 11.547 -10.098 4.356 1.00 24.42 H new ATOM 0 HA VAL A 26 13.067 -7.598 4.167 1.00 0.53 H new ATOM 0 HB VAL A 26 15.059 -8.859 3.385 1.00 60.45 H new ATOM 0 HG11 VAL A 26 15.781 -9.711 5.605 1.00 14.20 H new ATOM 0 HG12 VAL A 26 14.910 -8.167 5.762 1.00 14.20 H new ATOM 0 HG13 VAL A 26 14.089 -9.696 6.158 1.00 14.20 H new ATOM 0 HG21 VAL A 26 15.181 -11.314 3.798 1.00 64.00 H new ATOM 0 HG22 VAL A 26 13.486 -11.302 4.343 1.00 64.00 H new ATOM 0 HG23 VAL A 26 13.879 -10.921 2.649 1.00 64.00 H new ATOM 431 N ARG A 27 13.424 -8.384 1.529 1.00 33.21 N ATOM 432 CA ARG A 27 13.180 -8.485 0.100 1.00 4.21 C ATOM 433 C ARG A 27 14.237 -9.401 -0.518 1.00 3.32 C ATOM 434 O ARG A 27 15.375 -9.414 -0.057 1.00 72.11 O ATOM 435 CB ARG A 27 13.256 -7.092 -0.556 1.00 30.33 C ATOM 436 CG ARG A 27 14.480 -6.301 -0.026 1.00 13.41 C ATOM 437 CD ARG A 27 14.044 -5.270 1.027 1.00 0.42 C ATOM 438 NE ARG A 27 12.754 -4.685 0.657 1.00 5.44 N ATOM 439 CZ ARG A 27 11.669 -4.794 1.427 1.00 52.45 C ATOM 440 NH1 ARG A 27 11.765 -5.294 2.628 1.00 55.30 N ATOM 441 NH2 ARG A 27 10.522 -4.365 0.987 1.00 23.52 N ATOM 0 H ARG A 27 14.355 -8.041 1.766 1.00 33.21 H new ATOM 0 HA ARG A 27 12.184 -8.895 -0.068 1.00 4.21 H new ATOM 0 HB2 ARG A 27 13.327 -7.198 -1.639 1.00 30.33 H new ATOM 0 HB3 ARG A 27 12.341 -6.537 -0.349 1.00 30.33 H new ATOM 0 HG2 ARG A 27 15.204 -6.990 0.410 1.00 13.41 H new ATOM 0 HG3 ARG A 27 14.979 -5.795 -0.853 1.00 13.41 H new ATOM 0 HD2 ARG A 27 13.969 -5.747 2.004 1.00 0.42 H new ATOM 0 HD3 ARG A 27 14.796 -4.486 1.112 1.00 0.42 H new ATOM 0 HE ARG A 27 12.681 -4.174 -0.223 1.00 5.44 H new ATOM 0 HH11 ARG A 27 12.671 -5.603 2.981 1.00 55.30 H new ATOM 0 HH12 ARG A 27 10.934 -5.376 3.214 1.00 55.30 H new ATOM 0 HH21 ARG A 27 10.456 -3.948 0.058 1.00 23.52 H new ATOM 0 HH22 ARG A 27 9.689 -4.446 1.571 1.00 23.52 H new ATOM 455 N PRO A 28 13.935 -10.065 -1.603 1.00 70.42 N ATOM 456 CA PRO A 28 14.934 -10.935 -2.317 1.00 2.44 C ATOM 457 C PRO A 28 16.187 -10.136 -2.652 1.00 10.52 C ATOM 458 O PRO A 28 17.301 -10.680 -2.728 1.00 73.22 O ATOM 459 CB PRO A 28 14.192 -11.326 -3.599 1.00 63.31 C ATOM 460 CG PRO A 28 12.748 -11.259 -3.230 1.00 53.01 C ATOM 461 CD PRO A 28 12.619 -10.076 -2.273 1.00 50.41 C ATOM 0 HA PRO A 28 15.263 -11.791 -1.729 1.00 2.44 H new ATOM 0 HB2 PRO A 28 14.425 -10.643 -4.416 1.00 63.31 H new ATOM 0 HB3 PRO A 28 14.471 -12.326 -3.930 1.00 63.31 H new ATOM 0 HG2 PRO A 28 12.125 -11.118 -4.113 1.00 53.01 H new ATOM 0 HG3 PRO A 28 12.422 -12.184 -2.755 1.00 53.01 H new ATOM 0 HD2 PRO A 28 12.425 -9.144 -2.803 1.00 50.41 H new ATOM 0 HD3 PRO A 28 11.803 -10.214 -1.564 1.00 50.41 H new ATOM 469 N ASP A 29 15.986 -8.842 -2.811 1.00 21.24 N ATOM 470 CA ASP A 29 17.053 -7.898 -3.075 1.00 42.34 C ATOM 471 C ASP A 29 18.018 -7.818 -1.897 1.00 22.22 C ATOM 472 O ASP A 29 19.161 -7.410 -2.055 1.00 73.13 O ATOM 473 CB ASP A 29 16.470 -6.511 -3.368 1.00 0.01 C ATOM 474 CG ASP A 29 17.584 -5.514 -3.614 1.00 62.22 C ATOM 475 OD1 ASP A 29 18.286 -5.663 -4.593 1.00 21.43 O ATOM 476 OD2 ASP A 29 17.719 -4.608 -2.821 1.00 43.24 O ATOM 0 H ASP A 29 15.063 -8.411 -2.759 1.00 21.24 H new ATOM 0 HA ASP A 29 17.606 -8.247 -3.947 1.00 42.34 H new ATOM 0 HB2 ASP A 29 15.817 -6.560 -4.240 1.00 0.01 H new ATOM 0 HB3 ASP A 29 15.857 -6.182 -2.529 1.00 0.01 H new ATOM 481 N MET A 30 17.530 -8.124 -0.701 1.00 31.25 N ATOM 482 CA MET A 30 18.359 -8.019 0.494 1.00 25.12 C ATOM 483 C MET A 30 19.525 -8.989 0.446 1.00 64.13 C ATOM 484 O MET A 30 19.616 -9.838 -0.450 1.00 62.13 O ATOM 485 CB MET A 30 17.538 -8.209 1.776 1.00 2.42 C ATOM 486 CG MET A 30 17.533 -6.904 2.579 1.00 11.34 C ATOM 487 SD MET A 30 18.995 -6.829 3.633 1.00 52.43 S ATOM 488 CE MET A 30 18.370 -7.881 4.962 1.00 61.23 C ATOM 0 H MET A 30 16.576 -8.443 -0.533 1.00 31.25 H new ATOM 0 HA MET A 30 18.765 -7.008 0.513 1.00 25.12 H new ATOM 0 HB2 MET A 30 16.517 -8.499 1.527 1.00 2.42 H new ATOM 0 HB3 MET A 30 17.961 -9.015 2.375 1.00 2.42 H new ATOM 0 HG2 MET A 30 17.517 -6.050 1.902 1.00 11.34 H new ATOM 0 HG3 MET A 30 16.631 -6.845 3.188 1.00 11.34 H new ATOM 0 HE1 MET A 30 19.141 -8.003 5.723 1.00 61.23 H new ATOM 0 HE2 MET A 30 17.490 -7.419 5.409 1.00 61.23 H new ATOM 0 HE3 MET A 30 18.101 -8.857 4.558 1.00 61.23 H new ATOM 498 N THR A 31 20.455 -8.785 1.351 1.00 12.23 N ATOM 499 CA THR A 31 21.690 -9.532 1.396 1.00 31.41 C ATOM 500 C THR A 31 21.924 -10.126 2.800 1.00 44.04 C ATOM 501 O THR A 31 21.460 -9.575 3.806 1.00 12.01 O ATOM 502 CB THR A 31 22.841 -8.600 0.957 1.00 25.42 C ATOM 503 OG1 THR A 31 23.023 -8.690 -0.455 1.00 20.13 O ATOM 504 CG2 THR A 31 24.136 -8.948 1.667 1.00 40.23 C ATOM 0 H THR A 31 20.373 -8.084 2.088 1.00 12.23 H new ATOM 0 HA THR A 31 21.642 -10.379 0.711 1.00 31.41 H new ATOM 0 HB THR A 31 22.572 -7.579 1.228 1.00 25.42 H new ATOM 0 HG1 THR A 31 23.350 -9.584 -0.686 1.00 20.13 H new ATOM 0 HG21 THR A 31 24.925 -8.273 1.335 1.00 40.23 H new ATOM 0 HG22 THR A 31 24.000 -8.846 2.744 1.00 40.23 H new ATOM 0 HG23 THR A 31 24.415 -9.975 1.433 1.00 40.23 H new ATOM 512 N VAL A 32 22.638 -11.252 2.862 1.00 60.15 N ATOM 513 CA VAL A 32 22.910 -11.919 4.134 1.00 10.31 C ATOM 514 C VAL A 32 23.715 -11.006 5.061 1.00 54.12 C ATOM 515 O VAL A 32 23.402 -10.881 6.247 1.00 54.33 O ATOM 516 CB VAL A 32 23.643 -13.254 3.899 1.00 44.23 C ATOM 517 CG1 VAL A 32 24.101 -13.848 5.232 1.00 71.12 C ATOM 518 CG2 VAL A 32 22.695 -14.239 3.205 1.00 24.05 C ATOM 0 H VAL A 32 23.037 -11.719 2.048 1.00 60.15 H new ATOM 0 HA VAL A 32 21.959 -12.137 4.620 1.00 10.31 H new ATOM 0 HB VAL A 32 24.516 -13.073 3.271 1.00 44.23 H new ATOM 0 HG11 VAL A 32 24.617 -14.791 5.052 1.00 71.12 H new ATOM 0 HG12 VAL A 32 24.778 -13.152 5.727 1.00 71.12 H new ATOM 0 HG13 VAL A 32 23.234 -14.025 5.869 1.00 71.12 H new ATOM 0 HG21 VAL A 32 23.211 -15.184 3.038 1.00 24.05 H new ATOM 0 HG22 VAL A 32 21.822 -14.409 3.835 1.00 24.05 H new ATOM 0 HG23 VAL A 32 22.377 -13.825 2.248 1.00 24.05 H new ATOM 528 N ALA A 33 24.736 -10.364 4.522 1.00 53.45 N ATOM 529 CA ALA A 33 25.555 -9.462 5.322 1.00 55.04 C ATOM 530 C ALA A 33 24.663 -8.441 6.002 1.00 52.23 C ATOM 531 O ALA A 33 24.781 -8.181 7.208 1.00 54.14 O ATOM 532 CB ALA A 33 26.575 -8.742 4.431 1.00 50.32 C ATOM 0 H ALA A 33 25.018 -10.446 3.545 1.00 53.45 H new ATOM 0 HA ALA A 33 26.091 -10.040 6.075 1.00 55.04 H new ATOM 0 HB1 ALA A 33 27.181 -8.071 5.040 1.00 50.32 H new ATOM 0 HB2 ALA A 33 27.220 -9.477 3.949 1.00 50.32 H new ATOM 0 HB3 ALA A 33 26.050 -8.166 3.669 1.00 50.32 H new ATOM 538 N SER A 34 23.713 -7.924 5.246 1.00 20.42 N ATOM 539 CA SER A 34 22.747 -6.988 5.771 1.00 42.23 C ATOM 540 C SER A 34 21.950 -7.648 6.897 1.00 51.41 C ATOM 541 O SER A 34 21.744 -7.055 7.969 1.00 74.05 O ATOM 542 CB SER A 34 21.811 -6.545 4.652 1.00 22.13 C ATOM 543 OG SER A 34 22.589 -6.099 3.539 1.00 22.31 O ATOM 0 H SER A 34 23.592 -8.142 4.257 1.00 20.42 H new ATOM 0 HA SER A 34 23.263 -6.115 6.171 1.00 42.23 H new ATOM 0 HB2 SER A 34 21.166 -7.371 4.353 1.00 22.13 H new ATOM 0 HB3 SER A 34 21.161 -5.743 5.001 1.00 22.13 H new ATOM 0 HG SER A 34 21.992 -5.815 2.816 1.00 22.31 H new ATOM 549 N LEU A 35 21.557 -8.904 6.677 1.00 42.51 N ATOM 550 CA LEU A 35 20.864 -9.671 7.709 1.00 60.21 C ATOM 551 C LEU A 35 21.755 -9.873 8.907 1.00 12.50 C ATOM 552 O LEU A 35 21.337 -9.671 10.045 1.00 51.11 O ATOM 553 CB LEU A 35 20.429 -11.044 7.177 1.00 20.44 C ATOM 554 CG LEU A 35 19.286 -10.893 6.173 1.00 63.51 C ATOM 555 CD1 LEU A 35 19.037 -12.236 5.484 1.00 4.13 C ATOM 556 CD2 LEU A 35 18.017 -10.474 6.920 1.00 72.44 C ATOM 0 H LEU A 35 21.706 -9.406 5.802 1.00 42.51 H new ATOM 0 HA LEU A 35 19.981 -9.103 8.000 1.00 60.21 H new ATOM 0 HB2 LEU A 35 21.275 -11.541 6.702 1.00 20.44 H new ATOM 0 HB3 LEU A 35 20.112 -11.677 8.005 1.00 20.44 H new ATOM 0 HG LEU A 35 19.547 -10.140 5.429 1.00 63.51 H new ATOM 0 HD11 LEU A 35 18.222 -12.132 4.767 1.00 4.13 H new ATOM 0 HD12 LEU A 35 19.941 -12.551 4.963 1.00 4.13 H new ATOM 0 HD13 LEU A 35 18.770 -12.984 6.231 1.00 4.13 H new ATOM 0 HD21 LEU A 35 17.197 -10.364 6.211 1.00 72.44 H new ATOM 0 HD22 LEU A 35 17.760 -11.235 7.657 1.00 72.44 H new ATOM 0 HD23 LEU A 35 18.189 -9.524 7.425 1.00 72.44 H new ATOM 568 N LYS A 36 22.999 -10.215 8.648 1.00 34.21 N ATOM 569 CA LYS A 36 23.944 -10.443 9.705 1.00 44.21 C ATOM 570 C LYS A 36 24.092 -9.177 10.522 1.00 31.00 C ATOM 571 O LYS A 36 24.014 -9.201 11.760 1.00 33.33 O ATOM 572 CB LYS A 36 25.284 -10.844 9.090 1.00 43.15 C ATOM 573 CG LYS A 36 26.293 -11.219 10.184 1.00 4.03 C ATOM 574 CD LYS A 36 27.560 -10.375 10.008 1.00 65.42 C ATOM 575 CE LYS A 36 28.362 -10.862 8.794 1.00 65.21 C ATOM 576 NZ LYS A 36 28.774 -12.274 8.981 1.00 35.45 N ATOM 0 H LYS A 36 23.375 -10.340 7.708 1.00 34.21 H new ATOM 0 HA LYS A 36 23.598 -11.243 10.359 1.00 44.21 H new ATOM 0 HB2 LYS A 36 25.142 -11.688 8.415 1.00 43.15 H new ATOM 0 HB3 LYS A 36 25.677 -10.021 8.493 1.00 43.15 H new ATOM 0 HG2 LYS A 36 25.860 -11.047 11.170 1.00 4.03 H new ATOM 0 HG3 LYS A 36 26.536 -12.280 10.124 1.00 4.03 H new ATOM 0 HD2 LYS A 36 27.291 -9.327 9.878 1.00 65.42 H new ATOM 0 HD3 LYS A 36 28.174 -10.437 10.906 1.00 65.42 H new ATOM 0 HE2 LYS A 36 27.759 -10.769 7.891 1.00 65.21 H new ATOM 0 HE3 LYS A 36 29.243 -10.235 8.656 1.00 65.21 H new ATOM 0 HZ1 LYS A 36 29.812 -12.336 8.976 1.00 35.45 H new ATOM 0 HZ2 LYS A 36 28.410 -12.624 9.890 1.00 35.45 H new ATOM 0 HZ3 LYS A 36 28.389 -12.853 8.208 1.00 35.45 H new ATOM 590 N ASP A 37 24.247 -8.067 9.823 1.00 21.40 N ATOM 591 CA ASP A 37 24.368 -6.771 10.462 1.00 31.33 C ATOM 592 C ASP A 37 23.108 -6.429 11.251 1.00 3.04 C ATOM 593 O ASP A 37 23.188 -6.021 12.414 1.00 73.14 O ATOM 594 CB ASP A 37 24.604 -5.696 9.398 1.00 1.34 C ATOM 595 CG ASP A 37 24.951 -4.382 10.052 1.00 74.31 C ATOM 596 OD1 ASP A 37 26.002 -4.296 10.638 1.00 52.50 O ATOM 597 OD2 ASP A 37 24.169 -3.469 9.949 1.00 11.04 O ATOM 0 H ASP A 37 24.292 -8.039 8.804 1.00 21.40 H new ATOM 0 HA ASP A 37 25.211 -6.807 11.152 1.00 31.33 H new ATOM 0 HB2 ASP A 37 25.411 -6.004 8.733 1.00 1.34 H new ATOM 0 HB3 ASP A 37 23.711 -5.580 8.784 1.00 1.34 H new ATOM 602 N MET A 38 21.949 -6.562 10.597 1.00 34.44 N ATOM 603 CA MET A 38 20.666 -6.214 11.217 1.00 41.13 C ATOM 604 C MET A 38 20.241 -7.178 12.324 1.00 34.34 C ATOM 605 O MET A 38 19.705 -6.752 13.346 1.00 71.22 O ATOM 606 CB MET A 38 19.555 -6.022 10.177 1.00 41.21 C ATOM 607 CG MET A 38 19.003 -7.371 9.736 1.00 23.15 C ATOM 608 SD MET A 38 17.367 -7.631 10.480 1.00 32.15 S ATOM 609 CE MET A 38 16.580 -8.450 9.069 1.00 74.35 C ATOM 0 H MET A 38 21.873 -6.907 9.640 1.00 34.44 H new ATOM 0 HA MET A 38 20.831 -5.253 11.704 1.00 41.13 H new ATOM 0 HB2 MET A 38 18.754 -5.414 10.599 1.00 41.21 H new ATOM 0 HB3 MET A 38 19.945 -5.482 9.314 1.00 41.21 H new ATOM 0 HG2 MET A 38 18.930 -7.408 8.649 1.00 23.15 H new ATOM 0 HG3 MET A 38 19.682 -8.169 10.037 1.00 23.15 H new ATOM 0 HE1 MET A 38 15.501 -8.475 9.219 1.00 74.35 H new ATOM 0 HE2 MET A 38 16.807 -7.900 8.156 1.00 74.35 H new ATOM 0 HE3 MET A 38 16.958 -9.469 8.982 1.00 74.35 H new ATOM 619 N VAL A 39 20.486 -8.472 12.133 1.00 14.41 N ATOM 620 CA VAL A 39 20.104 -9.459 13.138 1.00 25.32 C ATOM 621 C VAL A 39 20.784 -9.101 14.440 1.00 51.44 C ATOM 622 O VAL A 39 20.165 -9.126 15.506 1.00 21.33 O ATOM 623 CB VAL A 39 20.485 -10.877 12.689 1.00 31.13 C ATOM 624 CG1 VAL A 39 20.223 -11.895 13.811 1.00 41.14 C ATOM 625 CG2 VAL A 39 19.664 -11.266 11.458 1.00 65.31 C ATOM 0 H VAL A 39 20.940 -8.857 11.305 1.00 14.41 H new ATOM 0 HA VAL A 39 19.022 -9.447 13.273 1.00 25.32 H new ATOM 0 HB VAL A 39 21.548 -10.885 12.447 1.00 31.13 H new ATOM 0 HG11 VAL A 39 20.500 -12.892 13.470 1.00 41.14 H new ATOM 0 HG12 VAL A 39 20.817 -11.633 14.686 1.00 41.14 H new ATOM 0 HG13 VAL A 39 19.165 -11.883 14.074 1.00 41.14 H new ATOM 0 HG21 VAL A 39 19.937 -12.273 11.142 1.00 65.31 H new ATOM 0 HG22 VAL A 39 18.603 -11.238 11.705 1.00 65.31 H new ATOM 0 HG23 VAL A 39 19.867 -10.564 10.649 1.00 65.31 H new ATOM 635 N PHE A 40 22.026 -8.668 14.339 1.00 3.12 N ATOM 636 CA PHE A 40 22.726 -8.175 15.499 1.00 33.42 C ATOM 637 C PHE A 40 21.959 -7.007 16.092 1.00 2.10 C ATOM 638 O PHE A 40 21.734 -6.960 17.297 1.00 42.22 O ATOM 639 CB PHE A 40 24.157 -7.751 15.151 1.00 31.43 C ATOM 640 CG PHE A 40 24.797 -7.083 16.356 1.00 13.33 C ATOM 641 CD1 PHE A 40 24.894 -7.770 17.568 1.00 13.01 C ATOM 642 CD2 PHE A 40 25.272 -5.773 16.263 1.00 43.21 C ATOM 643 CE1 PHE A 40 25.466 -7.157 18.682 1.00 61.34 C ATOM 644 CE2 PHE A 40 25.847 -5.153 17.379 1.00 33.14 C ATOM 645 CZ PHE A 40 25.945 -5.847 18.589 1.00 34.32 C ATOM 0 H PHE A 40 22.563 -8.649 13.472 1.00 3.12 H new ATOM 0 HA PHE A 40 22.791 -8.980 16.231 1.00 33.42 H new ATOM 0 HB2 PHE A 40 24.742 -8.620 14.851 1.00 31.43 H new ATOM 0 HB3 PHE A 40 24.148 -7.065 14.304 1.00 31.43 H new ATOM 0 HD1 PHE A 40 24.524 -8.782 17.643 1.00 13.01 H new ATOM 0 HD2 PHE A 40 25.196 -5.237 15.328 1.00 43.21 H new ATOM 0 HE1 PHE A 40 25.539 -7.694 19.616 1.00 61.34 H new ATOM 0 HE2 PHE A 40 26.214 -4.140 17.305 1.00 33.14 H new ATOM 0 HZ PHE A 40 26.390 -5.372 19.451 1.00 34.32 H new ATOM 655 N LEU A 41 21.515 -6.087 15.243 1.00 22.50 N ATOM 656 CA LEU A 41 20.750 -4.951 15.739 1.00 60.20 C ATOM 657 C LEU A 41 19.486 -5.468 16.382 1.00 62.30 C ATOM 658 O LEU A 41 19.046 -4.963 17.415 1.00 2.04 O ATOM 659 CB LEU A 41 20.305 -4.039 14.575 1.00 64.43 C ATOM 660 CG LEU A 41 21.481 -3.676 13.684 1.00 14.35 C ATOM 661 CD1 LEU A 41 21.013 -2.767 12.547 1.00 15.13 C ATOM 662 CD2 LEU A 41 22.555 -2.982 14.487 1.00 2.24 C ATOM 0 H LEU A 41 21.666 -6.103 14.234 1.00 22.50 H new ATOM 0 HA LEU A 41 21.377 -4.396 16.437 1.00 60.20 H new ATOM 0 HB2 LEU A 41 19.540 -4.544 13.985 1.00 64.43 H new ATOM 0 HB3 LEU A 41 19.852 -3.131 14.973 1.00 64.43 H new ATOM 0 HG LEU A 41 21.895 -4.592 13.263 1.00 14.35 H new ATOM 0 HD11 LEU A 41 21.862 -2.511 11.913 1.00 15.13 H new ATOM 0 HD12 LEU A 41 20.260 -3.285 11.954 1.00 15.13 H new ATOM 0 HD13 LEU A 41 20.583 -1.856 12.963 1.00 15.13 H new ATOM 0 HD21 LEU A 41 23.391 -2.728 13.835 1.00 2.24 H new ATOM 0 HD22 LEU A 41 22.149 -2.071 14.927 1.00 2.24 H new ATOM 0 HD23 LEU A 41 22.902 -3.645 15.280 1.00 2.24 H new ATOM 674 N ASP A 42 18.848 -6.398 15.689 1.00 3.40 N ATOM 675 CA ASP A 42 17.535 -6.882 16.097 1.00 20.53 C ATOM 676 C ASP A 42 17.594 -7.816 17.297 1.00 55.41 C ATOM 677 O ASP A 42 16.749 -7.728 18.187 1.00 3.34 O ATOM 678 CB ASP A 42 16.804 -7.557 14.924 1.00 22.22 C ATOM 679 CG ASP A 42 15.319 -7.645 15.219 1.00 70.13 C ATOM 680 OD1 ASP A 42 14.713 -6.610 15.395 1.00 72.43 O ATOM 681 OD2 ASP A 42 14.799 -8.734 15.253 1.00 75.41 O ATOM 0 H ASP A 42 19.216 -6.833 14.843 1.00 3.40 H new ATOM 0 HA ASP A 42 16.969 -6.003 16.407 1.00 20.53 H new ATOM 0 HB2 ASP A 42 16.968 -6.990 14.008 1.00 22.22 H new ATOM 0 HB3 ASP A 42 17.210 -8.555 14.758 1.00 22.22 H new ATOM 686 N TYR A 43 18.521 -8.774 17.278 1.00 32.23 N ATOM 687 CA TYR A 43 18.579 -9.796 18.339 1.00 3.43 C ATOM 688 C TYR A 43 19.816 -9.659 19.216 1.00 54.44 C ATOM 689 O TYR A 43 19.980 -10.409 20.177 1.00 52.22 O ATOM 690 CB TYR A 43 18.549 -11.197 17.718 1.00 12.45 C ATOM 691 CG TYR A 43 17.274 -11.371 16.931 1.00 32.24 C ATOM 692 CD1 TYR A 43 16.092 -11.747 17.578 1.00 32.13 C ATOM 693 CD2 TYR A 43 17.276 -11.151 15.554 1.00 13.44 C ATOM 694 CE1 TYR A 43 14.912 -11.901 16.844 1.00 60.33 C ATOM 695 CE2 TYR A 43 16.101 -11.301 14.819 1.00 50.22 C ATOM 696 CZ TYR A 43 14.917 -11.677 15.461 1.00 33.42 C ATOM 697 OH TYR A 43 13.756 -11.816 14.735 1.00 11.32 O ATOM 0 H TYR A 43 19.234 -8.869 16.555 1.00 32.23 H new ATOM 0 HA TYR A 43 17.706 -9.644 18.974 1.00 3.43 H new ATOM 0 HB2 TYR A 43 19.412 -11.337 17.067 1.00 12.45 H new ATOM 0 HB3 TYR A 43 18.613 -11.954 18.499 1.00 12.45 H new ATOM 0 HD1 TYR A 43 16.091 -11.918 18.644 1.00 32.13 H new ATOM 0 HD2 TYR A 43 18.190 -10.864 15.056 1.00 13.44 H new ATOM 0 HE1 TYR A 43 13.999 -12.192 17.342 1.00 60.33 H new ATOM 0 HE2 TYR A 43 16.105 -11.127 13.753 1.00 50.22 H new ATOM 0 HH TYR A 43 13.776 -11.208 13.967 1.00 11.32 H new ATOM 707 N GLY A 44 20.701 -8.742 18.875 1.00 13.32 N ATOM 708 CA GLY A 44 21.932 -8.561 19.644 1.00 51.52 C ATOM 709 C GLY A 44 22.913 -9.693 19.363 1.00 41.34 C ATOM 710 O GLY A 44 23.879 -9.882 20.101 1.00 41.15 O ATOM 0 H GLY A 44 20.599 -8.113 18.079 1.00 13.32 H new ATOM 0 HA2 GLY A 44 22.389 -7.605 19.389 1.00 51.52 H new ATOM 0 HA3 GLY A 44 21.700 -8.529 20.709 1.00 51.52 H new ATOM 714 N PHE A 45 22.658 -10.438 18.282 1.00 73.22 N ATOM 715 CA PHE A 45 23.508 -11.567 17.885 1.00 0.40 C ATOM 716 C PHE A 45 24.846 -11.056 17.357 1.00 12.32 C ATOM 717 O PHE A 45 24.898 -10.519 16.247 1.00 44.25 O ATOM 718 CB PHE A 45 22.814 -12.374 16.771 1.00 13.01 C ATOM 719 CG PHE A 45 21.686 -13.229 17.325 1.00 55.55 C ATOM 720 CD1 PHE A 45 21.233 -13.060 18.642 1.00 31.22 C ATOM 721 CD2 PHE A 45 21.098 -14.204 16.508 1.00 43.54 C ATOM 722 CE1 PHE A 45 20.200 -13.863 19.132 1.00 2.11 C ATOM 723 CE2 PHE A 45 20.062 -15.004 17.001 1.00 74.25 C ATOM 724 CZ PHE A 45 19.613 -14.833 18.312 1.00 11.12 C ATOM 0 H PHE A 45 21.864 -10.278 17.662 1.00 73.22 H new ATOM 0 HA PHE A 45 23.675 -12.200 18.756 1.00 0.40 H new ATOM 0 HB2 PHE A 45 22.419 -11.692 16.018 1.00 13.01 H new ATOM 0 HB3 PHE A 45 23.544 -13.011 16.273 1.00 13.01 H new ATOM 0 HD1 PHE A 45 21.682 -12.310 19.276 1.00 31.22 H new ATOM 0 HD2 PHE A 45 21.446 -14.338 15.494 1.00 43.54 H new ATOM 0 HE1 PHE A 45 19.853 -13.735 20.147 1.00 2.11 H new ATOM 0 HE2 PHE A 45 19.610 -15.753 16.368 1.00 74.25 H new ATOM 0 HZ PHE A 45 18.812 -15.450 18.693 1.00 11.12 H new ATOM 734 N PRO A 46 25.921 -11.179 18.115 1.00 33.44 N ATOM 735 CA PRO A 46 27.251 -10.660 17.683 1.00 1.25 C ATOM 736 C PRO A 46 27.620 -11.158 16.284 1.00 72.23 C ATOM 737 O PRO A 46 27.421 -12.338 15.958 1.00 63.41 O ATOM 738 CB PRO A 46 28.231 -11.193 18.739 1.00 45.41 C ATOM 739 CG PRO A 46 27.471 -12.236 19.506 1.00 3.22 C ATOM 740 CD PRO A 46 26.002 -11.819 19.443 1.00 61.54 C ATOM 0 HA PRO A 46 27.264 -9.572 17.616 1.00 1.25 H new ATOM 0 HB2 PRO A 46 29.118 -11.620 18.271 1.00 45.41 H new ATOM 0 HB3 PRO A 46 28.571 -10.393 19.397 1.00 45.41 H new ATOM 0 HG2 PRO A 46 27.615 -13.224 19.069 1.00 3.22 H new ATOM 0 HG3 PRO A 46 27.817 -12.291 20.538 1.00 3.22 H new ATOM 0 HD2 PRO A 46 25.331 -12.674 19.525 1.00 61.54 H new ATOM 0 HD3 PRO A 46 25.739 -11.129 20.245 1.00 61.54 H new ATOM 748 N PRO A 47 28.100 -10.281 15.437 1.00 24.43 N ATOM 749 CA PRO A 47 28.399 -10.625 14.018 1.00 3.35 C ATOM 750 C PRO A 47 29.446 -11.714 13.886 1.00 32.23 C ATOM 751 O PRO A 47 29.386 -12.530 12.964 1.00 60.40 O ATOM 752 CB PRO A 47 28.893 -9.302 13.412 1.00 22.12 C ATOM 753 CG PRO A 47 29.345 -8.489 14.583 1.00 61.03 C ATOM 754 CD PRO A 47 28.417 -8.871 15.736 1.00 72.21 C ATOM 0 HA PRO A 47 27.523 -11.028 13.510 1.00 3.35 H new ATOM 0 HB2 PRO A 47 29.709 -9.470 12.709 1.00 22.12 H new ATOM 0 HB3 PRO A 47 28.098 -8.797 12.864 1.00 22.12 H new ATOM 0 HG2 PRO A 47 30.385 -8.703 14.830 1.00 61.03 H new ATOM 0 HG3 PRO A 47 29.282 -7.423 14.367 1.00 61.03 H new ATOM 0 HD2 PRO A 47 28.906 -8.761 16.704 1.00 72.21 H new ATOM 0 HD3 PRO A 47 27.522 -8.250 15.759 1.00 72.21 H new ATOM 762 N VAL A 48 30.380 -11.751 14.811 1.00 2.22 N ATOM 763 CA VAL A 48 31.387 -12.789 14.795 1.00 3.34 C ATOM 764 C VAL A 48 30.748 -14.158 15.019 1.00 13.44 C ATOM 765 O VAL A 48 31.031 -15.118 14.290 1.00 24.32 O ATOM 766 CB VAL A 48 32.490 -12.503 15.845 1.00 51.11 C ATOM 767 CG1 VAL A 48 31.865 -12.099 17.189 1.00 44.54 C ATOM 768 CG2 VAL A 48 33.351 -13.760 16.052 1.00 41.53 C ATOM 0 H VAL A 48 30.463 -11.082 15.576 1.00 2.22 H new ATOM 0 HA VAL A 48 31.860 -12.796 13.813 1.00 3.34 H new ATOM 0 HB VAL A 48 33.109 -11.684 15.477 1.00 51.11 H new ATOM 0 HG11 VAL A 48 32.655 -11.902 17.913 1.00 44.54 H new ATOM 0 HG12 VAL A 48 31.264 -11.200 17.055 1.00 44.54 H new ATOM 0 HG13 VAL A 48 31.232 -12.908 17.554 1.00 44.54 H new ATOM 0 HG21 VAL A 48 34.125 -13.553 16.791 1.00 41.53 H new ATOM 0 HG22 VAL A 48 32.722 -14.578 16.404 1.00 41.53 H new ATOM 0 HG23 VAL A 48 33.817 -14.041 15.108 1.00 41.53 H new ATOM 778 N LEU A 49 29.871 -14.231 16.013 1.00 54.44 N ATOM 779 CA LEU A 49 29.192 -15.477 16.346 1.00 52.43 C ATOM 780 C LEU A 49 28.177 -15.822 15.304 1.00 2.01 C ATOM 781 O LEU A 49 27.895 -16.992 15.073 1.00 62.52 O ATOM 782 CB LEU A 49 28.451 -15.339 17.672 1.00 62.41 C ATOM 783 CG LEU A 49 29.418 -15.516 18.840 1.00 55.31 C ATOM 784 CD1 LEU A 49 30.290 -14.267 18.993 1.00 45.40 C ATOM 785 CD2 LEU A 49 28.631 -15.755 20.129 1.00 21.42 C ATOM 0 H LEU A 49 29.613 -13.440 16.603 1.00 54.44 H new ATOM 0 HA LEU A 49 29.953 -16.255 16.407 1.00 52.43 H new ATOM 0 HB2 LEU A 49 27.975 -14.360 17.730 1.00 62.41 H new ATOM 0 HB3 LEU A 49 27.657 -16.084 17.732 1.00 62.41 H new ATOM 0 HG LEU A 49 30.059 -16.375 18.643 1.00 55.31 H new ATOM 0 HD11 LEU A 49 30.977 -14.403 19.829 1.00 45.40 H new ATOM 0 HD12 LEU A 49 30.860 -14.107 18.078 1.00 45.40 H new ATOM 0 HD13 LEU A 49 29.655 -13.401 19.182 1.00 45.40 H new ATOM 0 HD21 LEU A 49 29.324 -15.881 20.961 1.00 21.42 H new ATOM 0 HD22 LEU A 49 27.983 -14.901 20.323 1.00 21.42 H new ATOM 0 HD23 LEU A 49 28.024 -16.654 20.023 1.00 21.42 H new ATOM 797 N GLN A 50 27.506 -14.796 14.812 1.00 62.55 N ATOM 798 CA GLN A 50 26.376 -14.990 13.946 1.00 24.52 C ATOM 799 C GLN A 50 26.825 -15.433 12.574 1.00 43.40 C ATOM 800 O GLN A 50 27.223 -14.604 11.751 1.00 65.42 O ATOM 801 CB GLN A 50 25.581 -13.685 13.824 1.00 53.50 C ATOM 802 CG GLN A 50 24.288 -13.942 13.046 1.00 42.03 C ATOM 803 CD GLN A 50 23.592 -12.628 12.726 1.00 24.14 C ATOM 804 OE1 GLN A 50 22.757 -12.583 11.823 1.00 22.04 O ATOM 805 NE2 GLN A 50 23.881 -11.555 13.407 1.00 23.53 N ATOM 0 H GLN A 50 27.732 -13.820 15.003 1.00 62.55 H new ATOM 0 HA GLN A 50 25.743 -15.766 14.377 1.00 24.52 H new ATOM 0 HB2 GLN A 50 25.349 -13.294 14.815 1.00 53.50 H new ATOM 0 HB3 GLN A 50 26.179 -12.929 13.315 1.00 53.50 H new ATOM 0 HG2 GLN A 50 24.512 -14.477 12.123 1.00 42.03 H new ATOM 0 HG3 GLN A 50 23.625 -14.579 13.631 1.00 42.03 H new ATOM 0 HE21 GLN A 50 24.574 -11.597 14.155 1.00 23.53 H new ATOM 0 HE22 GLN A 50 23.415 -10.674 13.192 1.00 23.53 H new ATOM 814 N GLN A 51 26.604 -16.694 12.269 1.00 50.00 N ATOM 815 CA GLN A 51 26.838 -17.192 10.928 1.00 5.12 C ATOM 816 C GLN A 51 25.527 -17.537 10.263 1.00 24.14 C ATOM 817 O GLN A 51 24.684 -18.226 10.850 1.00 52.33 O ATOM 818 CB GLN A 51 27.783 -18.399 10.919 1.00 32.34 C ATOM 819 CG GLN A 51 29.206 -17.955 11.285 1.00 40.52 C ATOM 820 CD GLN A 51 30.154 -19.149 11.234 1.00 13.41 C ATOM 821 OE1 GLN A 51 29.732 -20.269 10.925 1.00 2.14 O ATOM 822 NE2 GLN A 51 31.410 -18.985 11.509 1.00 64.45 N ATOM 0 H GLN A 51 26.263 -17.393 12.929 1.00 50.00 H new ATOM 0 HA GLN A 51 27.326 -16.398 10.363 1.00 5.12 H new ATOM 0 HB2 GLN A 51 27.434 -19.150 11.628 1.00 32.34 H new ATOM 0 HB3 GLN A 51 27.781 -18.865 9.934 1.00 32.34 H new ATOM 0 HG2 GLN A 51 29.544 -17.182 10.594 1.00 40.52 H new ATOM 0 HG3 GLN A 51 29.214 -17.516 12.283 1.00 40.52 H new ATOM 0 HE21 GLN A 51 31.760 -18.061 11.764 1.00 64.45 H new ATOM 0 HE22 GLN A 51 32.049 -19.779 11.470 1.00 64.45 H new ATOM 831 N TRP A 52 25.353 -17.050 9.047 1.00 42.04 N ATOM 832 CA TRP A 52 24.145 -17.304 8.283 1.00 31.04 C ATOM 833 C TRP A 52 24.390 -18.452 7.337 1.00 72.42 C ATOM 834 O TRP A 52 25.315 -18.395 6.520 1.00 1.43 O ATOM 835 CB TRP A 52 23.780 -16.054 7.472 1.00 75.43 C ATOM 836 CG TRP A 52 22.838 -15.203 8.248 1.00 45.20 C ATOM 837 CD1 TRP A 52 23.184 -14.355 9.240 1.00 33.04 C ATOM 838 CD2 TRP A 52 21.401 -15.095 8.097 1.00 51.21 C ATOM 839 NE1 TRP A 52 22.040 -13.742 9.722 1.00 11.32 N ATOM 840 CE2 TRP A 52 20.911 -14.168 9.041 1.00 62.02 C ATOM 841 CE3 TRP A 52 20.483 -15.715 7.237 1.00 64.11 C ATOM 842 CZ2 TRP A 52 19.554 -13.868 9.126 1.00 55.12 C ATOM 843 CZ3 TRP A 52 19.117 -15.416 7.317 1.00 45.22 C ATOM 844 CH2 TRP A 52 18.653 -14.495 8.260 1.00 64.43 C ATOM 0 H TRP A 52 26.040 -16.471 8.564 1.00 42.04 H new ATOM 0 HA TRP A 52 23.329 -17.550 8.962 1.00 31.04 H new ATOM 0 HB2 TRP A 52 24.681 -15.489 7.233 1.00 75.43 H new ATOM 0 HB3 TRP A 52 23.325 -16.344 6.525 1.00 75.43 H new ATOM 0 HD1 TRP A 52 24.188 -14.183 9.599 1.00 33.04 H new ATOM 0 HE1 TRP A 52 22.030 -13.062 10.483 1.00 11.32 H new ATOM 0 HE3 TRP A 52 20.833 -16.429 6.506 1.00 64.11 H new ATOM 0 HZ2 TRP A 52 19.200 -13.156 9.856 1.00 55.12 H new ATOM 0 HZ3 TRP A 52 18.420 -15.899 6.648 1.00 45.22 H new ATOM 0 HH2 TRP A 52 17.599 -14.268 8.320 1.00 64.43 H new ATOM 855 N VAL A 53 23.561 -19.475 7.417 1.00 64.50 N ATOM 856 CA VAL A 53 23.701 -20.627 6.554 1.00 13.22 C ATOM 857 C VAL A 53 22.385 -20.932 5.831 1.00 24.40 C ATOM 858 O VAL A 53 21.333 -21.081 6.457 1.00 52.11 O ATOM 859 CB VAL A 53 24.175 -21.838 7.383 1.00 15.40 C ATOM 860 CG1 VAL A 53 24.074 -23.130 6.565 1.00 70.32 C ATOM 861 CG2 VAL A 53 25.633 -21.625 7.815 1.00 70.32 C ATOM 0 H VAL A 53 22.782 -19.530 8.073 1.00 64.50 H new ATOM 0 HA VAL A 53 24.448 -20.411 5.791 1.00 13.22 H new ATOM 0 HB VAL A 53 23.535 -21.928 8.261 1.00 15.40 H new ATOM 0 HG11 VAL A 53 24.414 -23.971 7.170 1.00 70.32 H new ATOM 0 HG12 VAL A 53 23.038 -23.292 6.267 1.00 70.32 H new ATOM 0 HG13 VAL A 53 24.699 -23.047 5.675 1.00 70.32 H new ATOM 0 HG21 VAL A 53 25.968 -22.481 8.401 1.00 70.32 H new ATOM 0 HG22 VAL A 53 26.263 -21.521 6.931 1.00 70.32 H new ATOM 0 HG23 VAL A 53 25.705 -20.721 8.420 1.00 70.32 H new ATOM 871 N ILE A 54 22.478 -21.088 4.523 1.00 31.32 N ATOM 872 CA ILE A 54 21.358 -21.502 3.691 1.00 2.42 C ATOM 873 C ILE A 54 21.877 -22.562 2.738 1.00 55.44 C ATOM 874 O ILE A 54 22.983 -22.416 2.208 1.00 64.42 O ATOM 875 CB ILE A 54 20.762 -20.309 2.895 1.00 61.22 C ATOM 876 CG1 ILE A 54 20.294 -19.219 3.868 1.00 70.55 C ATOM 877 CG2 ILE A 54 19.544 -20.779 2.085 1.00 73.52 C ATOM 878 CD1 ILE A 54 19.903 -17.961 3.080 1.00 33.44 C ATOM 0 H ILE A 54 23.340 -20.930 4.001 1.00 31.32 H new ATOM 0 HA ILE A 54 20.556 -21.892 4.318 1.00 2.42 H new ATOM 0 HB ILE A 54 21.530 -19.918 2.228 1.00 61.22 H new ATOM 0 HG12 ILE A 54 19.443 -19.576 4.449 1.00 70.55 H new ATOM 0 HG13 ILE A 54 21.088 -18.985 4.577 1.00 70.55 H new ATOM 0 HG21 ILE A 54 19.130 -19.938 1.529 1.00 73.52 H new ATOM 0 HG22 ILE A 54 19.850 -21.560 1.388 1.00 73.52 H new ATOM 0 HG23 ILE A 54 18.787 -21.174 2.762 1.00 73.52 H new ATOM 0 HD11 ILE A 54 19.571 -17.187 3.772 1.00 33.44 H new ATOM 0 HD12 ILE A 54 20.765 -17.600 2.519 1.00 33.44 H new ATOM 0 HD13 ILE A 54 19.095 -18.201 2.389 1.00 33.44 H new ATOM 991 N ASP A 61 28.809 -13.353 2.726 1.00 5.24 N ATOM 992 CA ASP A 61 27.516 -12.900 3.265 1.00 62.30 C ATOM 993 C ASP A 61 26.906 -11.836 2.375 1.00 23.25 C ATOM 994 O ASP A 61 25.758 -11.426 2.555 1.00 41.02 O ATOM 995 CB ASP A 61 27.684 -12.366 4.695 1.00 4.03 C ATOM 996 CG ASP A 61 28.076 -13.484 5.658 1.00 13.24 C ATOM 997 OD1 ASP A 61 28.024 -14.643 5.278 1.00 24.14 O ATOM 998 OD2 ASP A 61 28.424 -13.172 6.771 1.00 33.05 O ATOM 0 HA ASP A 61 26.841 -13.756 3.291 1.00 62.30 H new ATOM 0 HB2 ASP A 61 28.446 -11.587 4.708 1.00 4.03 H new ATOM 0 HB3 ASP A 61 26.753 -11.906 5.026 1.00 4.03 H new ATOM 1003 N GLN A 62 27.736 -11.279 1.533 1.00 12.52 N ATOM 1004 CA GLN A 62 27.368 -10.155 0.697 1.00 34.33 C ATOM 1005 C GLN A 62 26.383 -10.540 -0.416 1.00 44.45 C ATOM 1006 O GLN A 62 25.884 -9.659 -1.132 1.00 1.43 O ATOM 1007 CB GLN A 62 28.631 -9.511 0.127 1.00 0.02 C ATOM 1008 CG GLN A 62 29.427 -8.883 1.277 1.00 25.23 C ATOM 1009 CD GLN A 62 30.758 -8.358 0.770 1.00 11.12 C ATOM 1010 OE1 GLN A 62 31.627 -9.145 0.389 1.00 1.45 O ATOM 1011 NE2 GLN A 62 30.971 -7.082 0.731 1.00 15.21 N ATOM 0 H GLN A 62 28.698 -11.592 1.403 1.00 12.52 H new ATOM 0 HA GLN A 62 26.843 -9.431 1.320 1.00 34.33 H new ATOM 0 HB2 GLN A 62 29.236 -10.257 -0.387 1.00 0.02 H new ATOM 0 HB3 GLN A 62 28.368 -8.751 -0.609 1.00 0.02 H new ATOM 0 HG2 GLN A 62 28.854 -8.071 1.724 1.00 25.23 H new ATOM 0 HG3 GLN A 62 29.594 -9.623 2.060 1.00 25.23 H new ATOM 0 HE21 GLN A 62 30.249 -6.435 1.047 1.00 15.21 H new ATOM 0 HE22 GLN A 62 31.861 -6.724 0.384 1.00 15.21 H new ATOM 1020 N GLU A 63 26.136 -11.837 -0.607 1.00 4.31 N ATOM 1021 CA GLU A 63 25.213 -12.262 -1.684 1.00 63.23 C ATOM 1022 C GLU A 63 23.811 -11.695 -1.453 1.00 22.23 C ATOM 1023 O GLU A 63 23.453 -11.323 -0.330 1.00 10.12 O ATOM 1024 CB GLU A 63 25.111 -13.804 -1.846 1.00 4.24 C ATOM 1025 CG GLU A 63 26.068 -14.558 -0.911 1.00 13.54 C ATOM 1026 CD GLU A 63 25.321 -15.083 0.318 1.00 55.25 C ATOM 1027 OE1 GLU A 63 24.362 -14.450 0.725 1.00 51.42 O ATOM 1028 OE2 GLU A 63 25.697 -16.128 0.823 1.00 33.23 O ATOM 0 H GLU A 63 26.541 -12.595 -0.057 1.00 4.31 H new ATOM 0 HA GLU A 63 25.640 -11.864 -2.605 1.00 63.23 H new ATOM 0 HB2 GLU A 63 24.087 -14.120 -1.645 1.00 4.24 H new ATOM 0 HB3 GLU A 63 25.331 -14.073 -2.879 1.00 4.24 H new ATOM 0 HG2 GLU A 63 26.528 -15.389 -1.446 1.00 13.54 H new ATOM 0 HG3 GLU A 63 26.875 -13.896 -0.597 1.00 13.54 H new ATOM 1035 N THR A 64 23.014 -11.650 -2.509 1.00 35.12 N ATOM 1036 CA THR A 64 21.632 -11.208 -2.396 1.00 71.14 C ATOM 1037 C THR A 64 20.782 -12.390 -1.940 1.00 54.02 C ATOM 1038 O THR A 64 21.124 -13.539 -2.231 1.00 2.04 O ATOM 1039 CB THR A 64 21.129 -10.710 -3.763 1.00 71.33 C ATOM 1040 OG1 THR A 64 22.224 -10.570 -4.664 1.00 5.15 O ATOM 1041 CG2 THR A 64 20.429 -9.363 -3.606 1.00 70.13 C ATOM 0 H THR A 64 23.299 -11.913 -3.452 1.00 35.12 H new ATOM 0 HA THR A 64 21.561 -10.393 -1.676 1.00 71.14 H new ATOM 0 HB THR A 64 20.423 -11.439 -4.161 1.00 71.33 H new ATOM 0 HG1 THR A 64 21.895 -10.255 -5.532 1.00 5.15 H new ATOM 0 HG21 THR A 64 20.077 -9.020 -4.579 1.00 70.13 H new ATOM 0 HG22 THR A 64 19.580 -9.471 -2.931 1.00 70.13 H new ATOM 0 HG23 THR A 64 21.129 -8.635 -3.196 1.00 70.13 H new ATOM 1049 N LEU A 65 19.650 -12.125 -1.305 1.00 11.25 N ATOM 1050 CA LEU A 65 18.767 -13.217 -0.904 1.00 22.02 C ATOM 1051 C LEU A 65 18.294 -13.940 -2.150 1.00 11.33 C ATOM 1052 O LEU A 65 18.291 -15.175 -2.213 1.00 62.22 O ATOM 1053 CB LEU A 65 17.559 -12.699 -0.110 1.00 34.52 C ATOM 1054 CG LEU A 65 18.025 -12.113 1.232 1.00 14.33 C ATOM 1055 CD1 LEU A 65 16.826 -11.556 1.993 1.00 43.21 C ATOM 1056 CD2 LEU A 65 18.716 -13.184 2.079 1.00 30.03 C ATOM 0 H LEU A 65 19.324 -11.190 -1.060 1.00 11.25 H new ATOM 0 HA LEU A 65 19.320 -13.897 -0.256 1.00 22.02 H new ATOM 0 HB2 LEU A 65 17.034 -11.937 -0.686 1.00 34.52 H new ATOM 0 HB3 LEU A 65 16.852 -13.511 0.064 1.00 34.52 H new ATOM 0 HG LEU A 65 18.738 -11.313 1.032 1.00 14.33 H new ATOM 0 HD11 LEU A 65 17.160 -11.141 2.944 1.00 43.21 H new ATOM 0 HD12 LEU A 65 16.352 -10.773 1.402 1.00 43.21 H new ATOM 0 HD13 LEU A 65 16.109 -12.356 2.178 1.00 43.21 H new ATOM 0 HD21 LEU A 65 19.038 -12.748 3.025 1.00 30.03 H new ATOM 0 HD22 LEU A 65 18.019 -13.999 2.274 1.00 30.03 H new ATOM 0 HD23 LEU A 65 19.583 -13.568 1.543 1.00 30.03 H new ATOM 1068 N HIS A 66 17.993 -13.161 -3.172 1.00 73.23 N ATOM 1069 CA HIS A 66 17.585 -13.700 -4.460 1.00 34.14 C ATOM 1070 C HIS A 66 18.608 -14.719 -4.957 1.00 10.32 C ATOM 1071 O HIS A 66 18.256 -15.683 -5.639 1.00 1.13 O ATOM 1072 CB HIS A 66 17.438 -12.572 -5.488 1.00 25.42 C ATOM 1073 CG HIS A 66 16.662 -13.070 -6.671 1.00 52.33 C ATOM 1074 ND1 HIS A 66 17.051 -14.190 -7.390 1.00 11.11 N ATOM 1075 CD2 HIS A 66 15.522 -12.608 -7.278 1.00 15.50 C ATOM 1076 CE1 HIS A 66 16.158 -14.362 -8.382 1.00 44.55 C ATOM 1077 NE2 HIS A 66 15.205 -13.423 -8.358 1.00 53.54 N ATOM 0 H HIS A 66 18.023 -12.142 -3.136 1.00 73.23 H new ATOM 0 HA HIS A 66 16.622 -14.195 -4.335 1.00 34.14 H new ATOM 0 HB2 HIS A 66 16.928 -11.720 -5.038 1.00 25.42 H new ATOM 0 HB3 HIS A 66 18.421 -12.224 -5.805 1.00 25.42 H new ATOM 0 HD1 HIS A 66 17.864 -14.776 -7.202 1.00 11.11 H new ATOM 0 HD2 HIS A 66 14.957 -11.743 -6.964 1.00 15.50 H new ATOM 0 HE1 HIS A 66 16.205 -15.160 -9.108 1.00 44.55 H new ATOM 1086 N SER A 67 19.870 -14.515 -4.596 1.00 14.51 N ATOM 1087 CA SER A 67 20.936 -15.419 -5.015 1.00 21.22 C ATOM 1088 C SER A 67 20.640 -16.822 -4.524 1.00 5.04 C ATOM 1089 O SER A 67 21.004 -17.804 -5.166 1.00 31.30 O ATOM 1090 CB SER A 67 22.274 -14.964 -4.436 1.00 53.23 C ATOM 1091 OG SER A 67 22.286 -13.547 -4.346 1.00 52.30 O ATOM 0 H SER A 67 20.180 -13.735 -4.016 1.00 14.51 H new ATOM 0 HA SER A 67 20.991 -15.410 -6.104 1.00 21.22 H new ATOM 0 HB2 SER A 67 22.426 -15.404 -3.451 1.00 53.23 H new ATOM 0 HB3 SER A 67 23.093 -15.307 -5.068 1.00 53.23 H new ATOM 0 HG SER A 67 22.134 -13.162 -5.234 1.00 52.30 H new ATOM 1097 N HIS A 68 20.003 -16.912 -3.371 1.00 71.23 N ATOM 1098 CA HIS A 68 19.690 -18.191 -2.773 1.00 44.15 C ATOM 1099 C HIS A 68 18.323 -18.669 -3.234 1.00 51.40 C ATOM 1100 O HIS A 68 17.776 -19.635 -2.701 1.00 71.43 O ATOM 1101 CB HIS A 68 19.749 -18.085 -1.243 1.00 24.14 C ATOM 1102 CG HIS A 68 21.048 -17.422 -0.854 1.00 33.13 C ATOM 1103 ND1 HIS A 68 22.281 -17.974 -1.155 1.00 40.22 N ATOM 1104 CD2 HIS A 68 21.318 -16.234 -0.215 1.00 74.41 C ATOM 1105 CE1 HIS A 68 23.223 -17.123 -0.709 1.00 31.20 C ATOM 1106 NE2 HIS A 68 22.694 -16.050 -0.127 1.00 62.11 N ATOM 0 H HIS A 68 19.691 -16.106 -2.829 1.00 71.23 H new ATOM 0 HA HIS A 68 20.430 -18.924 -3.094 1.00 44.15 H new ATOM 0 HB2 HIS A 68 18.903 -17.506 -0.871 1.00 24.14 H new ATOM 0 HB3 HIS A 68 19.680 -19.075 -0.793 1.00 24.14 H new ATOM 0 HD2 HIS A 68 20.574 -15.548 0.162 1.00 74.41 H new ATOM 0 HE1 HIS A 68 24.285 -17.291 -0.812 1.00 31.20 H new ATOM 0 HE2 HIS A 68 23.190 -15.263 0.293 1.00 62.11 H new ATOM 1115 N GLY A 69 17.774 -17.980 -4.227 1.00 24.31 N ATOM 1116 CA GLY A 69 16.478 -18.336 -4.784 1.00 1.43 C ATOM 1117 C GLY A 69 15.351 -17.786 -3.936 1.00 24.22 C ATOM 1118 O GLY A 69 14.175 -18.005 -4.232 1.00 54.34 O ATOM 0 H GLY A 69 18.210 -17.168 -4.664 1.00 24.31 H new ATOM 0 HA2 GLY A 69 16.396 -17.948 -5.799 1.00 1.43 H new ATOM 0 HA3 GLY A 69 16.392 -19.421 -4.849 1.00 1.43 H new ATOM 1122 N VAL A 70 15.704 -17.025 -2.916 1.00 14.11 N ATOM 1123 CA VAL A 70 14.711 -16.426 -2.058 1.00 2.23 C ATOM 1124 C VAL A 70 14.026 -15.289 -2.802 1.00 63.41 C ATOM 1125 O VAL A 70 14.466 -14.144 -2.737 1.00 21.42 O ATOM 1126 CB VAL A 70 15.389 -15.904 -0.778 1.00 22.03 C ATOM 1127 CG1 VAL A 70 14.345 -15.331 0.182 1.00 73.22 C ATOM 1128 CG2 VAL A 70 16.144 -17.049 -0.087 1.00 4.51 C ATOM 0 H VAL A 70 16.669 -16.810 -2.666 1.00 14.11 H new ATOM 0 HA VAL A 70 13.962 -17.167 -1.779 1.00 2.23 H new ATOM 0 HB VAL A 70 16.090 -15.115 -1.051 1.00 22.03 H new ATOM 0 HG11 VAL A 70 14.840 -14.966 1.082 1.00 73.22 H new ATOM 0 HG12 VAL A 70 13.819 -14.508 -0.302 1.00 73.22 H new ATOM 0 HG13 VAL A 70 13.631 -16.110 0.451 1.00 73.22 H new ATOM 0 HG21 VAL A 70 16.622 -16.675 0.818 1.00 4.51 H new ATOM 0 HG22 VAL A 70 15.443 -17.842 0.174 1.00 4.51 H new ATOM 0 HG23 VAL A 70 16.903 -17.444 -0.762 1.00 4.51 H new ATOM 1138 N ARG A 71 12.994 -15.629 -3.572 1.00 60.24 N ATOM 1139 CA ARG A 71 12.272 -14.639 -4.371 1.00 5.14 C ATOM 1140 C ARG A 71 10.910 -14.363 -3.757 1.00 73.44 C ATOM 1141 O ARG A 71 10.258 -13.369 -4.080 1.00 42.30 O ATOM 1142 CB ARG A 71 12.065 -15.161 -5.791 1.00 72.31 C ATOM 1143 CG ARG A 71 13.417 -15.474 -6.440 1.00 42.42 C ATOM 1144 CD ARG A 71 13.188 -15.861 -7.907 1.00 13.23 C ATOM 1145 NE ARG A 71 12.292 -17.018 -7.998 1.00 43.00 N ATOM 1146 CZ ARG A 71 12.672 -18.256 -7.692 1.00 42.14 C ATOM 1147 NH1 ARG A 71 13.874 -18.472 -7.241 1.00 15.55 N ATOM 1148 NH2 ARG A 71 11.836 -19.244 -7.834 1.00 31.11 N ATOM 0 H ARG A 71 12.639 -16.581 -3.660 1.00 60.24 H new ATOM 0 HA ARG A 71 12.862 -13.723 -4.393 1.00 5.14 H new ATOM 0 HB2 ARG A 71 11.447 -16.058 -5.770 1.00 72.31 H new ATOM 0 HB3 ARG A 71 11.531 -14.419 -6.385 1.00 72.31 H new ATOM 0 HG2 ARG A 71 14.075 -14.607 -6.377 1.00 42.42 H new ATOM 0 HG3 ARG A 71 13.911 -16.288 -5.908 1.00 42.42 H new ATOM 0 HD2 ARG A 71 12.760 -15.018 -8.449 1.00 13.23 H new ATOM 0 HD3 ARG A 71 14.141 -16.094 -8.381 1.00 13.23 H new ATOM 0 HE ARG A 71 11.333 -16.867 -8.310 1.00 43.00 H new ATOM 0 HH11 ARG A 71 14.522 -17.693 -7.123 1.00 15.55 H new ATOM 0 HH12 ARG A 71 14.168 -19.420 -7.006 1.00 15.55 H new ATOM 0 HH21 ARG A 71 10.892 -19.068 -8.179 1.00 31.11 H new ATOM 0 HH22 ARG A 71 12.125 -20.194 -7.600 1.00 31.11 H new ATOM 1162 N GLN A 72 10.465 -15.282 -2.915 1.00 22.33 N ATOM 1163 CA GLN A 72 9.157 -15.199 -2.286 1.00 11.22 C ATOM 1164 C GLN A 72 9.279 -15.453 -0.816 1.00 63.41 C ATOM 1165 O GLN A 72 10.169 -16.174 -0.393 1.00 54.20 O ATOM 1166 CB GLN A 72 8.217 -16.245 -2.880 1.00 72.22 C ATOM 1167 CG GLN A 72 7.826 -15.855 -4.293 1.00 11.44 C ATOM 1168 CD GLN A 72 7.020 -16.980 -4.912 1.00 64.24 C ATOM 1169 OE1 GLN A 72 5.799 -17.032 -4.759 1.00 55.53 O ATOM 1170 NE2 GLN A 72 7.630 -17.905 -5.576 1.00 55.43 N ATOM 0 H GLN A 72 11.001 -16.108 -2.648 1.00 22.33 H new ATOM 0 HA GLN A 72 8.757 -14.200 -2.462 1.00 11.22 H new ATOM 0 HB2 GLN A 72 8.703 -17.220 -2.885 1.00 72.22 H new ATOM 0 HB3 GLN A 72 7.325 -16.337 -2.260 1.00 72.22 H new ATOM 0 HG2 GLN A 72 7.241 -14.935 -4.281 1.00 11.44 H new ATOM 0 HG3 GLN A 72 8.717 -15.658 -4.889 1.00 11.44 H new ATOM 0 HE21 GLN A 72 8.641 -17.860 -5.702 1.00 55.43 H new ATOM 0 HE22 GLN A 72 7.100 -18.680 -5.975 1.00 55.43 H new ATOM 1179 N ASN A 73 8.288 -15.001 -0.078 1.00 71.53 N ATOM 1180 CA ASN A 73 8.192 -15.273 1.348 1.00 20.42 C ATOM 1181 C ASN A 73 8.009 -16.756 1.584 1.00 52.02 C ATOM 1182 O ASN A 73 7.667 -17.507 0.658 1.00 44.32 O ATOM 1183 CB ASN A 73 7.012 -14.513 1.951 1.00 43.42 C ATOM 1184 CG ASN A 73 5.745 -14.803 1.157 1.00 52.31 C ATOM 1185 OD1 ASN A 73 5.779 -14.854 -0.078 1.00 70.33 O ATOM 1186 ND2 ASN A 73 4.631 -14.988 1.777 1.00 55.51 N ATOM 0 H ASN A 73 7.524 -14.434 -0.446 1.00 71.53 H new ATOM 0 HA ASN A 73 9.114 -14.943 1.827 1.00 20.42 H new ATOM 0 HB2 ASN A 73 6.874 -14.806 2.992 1.00 43.42 H new ATOM 0 HB3 ASN A 73 7.217 -13.443 1.946 1.00 43.42 H new ATOM 0 HD21 ASN A 73 3.779 -15.176 1.249 1.00 55.51 H new ATOM 0 HD22 ASN A 73 4.601 -14.946 2.796 1.00 55.51 H new ATOM 1193 N GLY A 74 8.246 -17.182 2.808 1.00 42.33 N ATOM 1194 CA GLY A 74 8.156 -18.592 3.156 1.00 72.21 C ATOM 1195 C GLY A 74 9.538 -19.208 3.191 1.00 53.51 C ATOM 1196 O GLY A 74 9.709 -20.384 3.522 1.00 53.41 O ATOM 0 H GLY A 74 8.504 -16.572 3.584 1.00 42.33 H new ATOM 0 HA2 GLY A 74 7.674 -18.705 4.127 1.00 72.21 H new ATOM 0 HA3 GLY A 74 7.534 -19.115 2.429 1.00 72.21 H new ATOM 1200 N ASP A 75 10.523 -18.399 2.865 1.00 74.32 N ATOM 1201 CA ASP A 75 11.912 -18.813 2.880 1.00 40.23 C ATOM 1202 C ASP A 75 12.368 -19.110 4.294 1.00 33.23 C ATOM 1203 O ASP A 75 11.893 -18.511 5.260 1.00 22.31 O ATOM 1204 CB ASP A 75 12.813 -17.732 2.244 1.00 54.44 C ATOM 1205 CG ASP A 75 12.211 -16.337 2.423 1.00 32.10 C ATOM 1206 OD1 ASP A 75 11.053 -16.162 2.081 1.00 43.04 O ATOM 1207 OD2 ASP A 75 12.907 -15.476 2.886 1.00 41.44 O ATOM 0 H ASP A 75 10.383 -17.430 2.580 1.00 74.32 H new ATOM 0 HA ASP A 75 11.997 -19.725 2.290 1.00 40.23 H new ATOM 0 HB2 ASP A 75 13.803 -17.765 2.699 1.00 54.44 H new ATOM 0 HB3 ASP A 75 12.943 -17.942 1.182 1.00 54.44 H new ATOM 1212 N SER A 76 13.277 -20.049 4.415 1.00 54.11 N ATOM 1213 CA SER A 76 13.798 -20.436 5.700 1.00 54.23 C ATOM 1214 C SER A 76 15.327 -20.417 5.651 1.00 1.51 C ATOM 1215 O SER A 76 15.920 -20.659 4.592 1.00 74.44 O ATOM 1216 CB SER A 76 13.282 -21.836 6.050 1.00 52.41 C ATOM 1217 OG SER A 76 11.940 -21.984 5.565 1.00 21.32 O ATOM 0 H SER A 76 13.673 -20.563 3.628 1.00 54.11 H new ATOM 0 HA SER A 76 13.466 -19.738 6.469 1.00 54.23 H new ATOM 0 HB2 SER A 76 13.927 -22.595 5.606 1.00 52.41 H new ATOM 0 HB3 SER A 76 13.309 -21.986 7.129 1.00 52.41 H new ATOM 0 HG SER A 76 11.341 -21.402 6.078 1.00 21.32 H new ATOM 1223 N ALA A 77 15.963 -20.084 6.758 1.00 33.13 N ATOM 1224 CA ALA A 77 17.422 -19.986 6.790 1.00 74.42 C ATOM 1225 C ALA A 77 17.988 -20.558 8.070 1.00 71.15 C ATOM 1226 O ALA A 77 17.248 -20.846 9.023 1.00 14.41 O ATOM 1227 CB ALA A 77 17.874 -18.534 6.625 1.00 5.24 C ATOM 0 H ALA A 77 15.503 -19.877 7.644 1.00 33.13 H new ATOM 0 HA ALA A 77 17.804 -20.573 5.955 1.00 74.42 H new ATOM 0 HB1 ALA A 77 18.963 -18.487 6.652 1.00 5.24 H new ATOM 0 HB2 ALA A 77 17.518 -18.148 5.670 1.00 5.24 H new ATOM 0 HB3 ALA A 77 17.464 -17.931 7.435 1.00 5.24 H new ATOM 1233 N TYR A 78 19.296 -20.746 8.089 1.00 12.02 N ATOM 1234 CA TYR A 78 19.971 -21.295 9.245 1.00 11.21 C ATOM 1235 C TYR A 78 20.931 -20.261 9.826 1.00 11.53 C ATOM 1236 O TYR A 78 21.761 -19.696 9.106 1.00 70.42 O ATOM 1237 CB TYR A 78 20.732 -22.557 8.843 1.00 33.45 C ATOM 1238 CG TYR A 78 20.533 -23.621 9.882 1.00 43.33 C ATOM 1239 CD1 TYR A 78 21.026 -23.438 11.175 1.00 21.22 C ATOM 1240 CD2 TYR A 78 19.853 -24.795 9.551 1.00 61.00 C ATOM 1241 CE1 TYR A 78 20.839 -24.428 12.132 1.00 41.13 C ATOM 1242 CE2 TYR A 78 19.666 -25.784 10.510 1.00 1.34 C ATOM 1243 CZ TYR A 78 20.159 -25.603 11.799 1.00 43.02 C ATOM 1244 OH TYR A 78 19.975 -26.578 12.744 1.00 40.42 O ATOM 0 H TYR A 78 19.914 -20.523 7.308 1.00 12.02 H new ATOM 0 HA TYR A 78 19.234 -21.553 10.005 1.00 11.21 H new ATOM 0 HB2 TYR A 78 20.381 -22.912 7.874 1.00 33.45 H new ATOM 0 HB3 TYR A 78 21.794 -22.334 8.736 1.00 33.45 H new ATOM 0 HD1 TYR A 78 21.551 -22.530 11.431 1.00 21.22 H new ATOM 0 HD2 TYR A 78 19.472 -24.935 8.550 1.00 61.00 H new ATOM 0 HE1 TYR A 78 21.219 -24.290 13.133 1.00 41.13 H new ATOM 0 HE2 TYR A 78 19.139 -26.692 10.255 1.00 1.34 H new ATOM 0 HH TYR A 78 19.483 -27.328 12.349 1.00 40.42 H new ATOM 1254 N LEU A 79 20.794 -19.999 11.112 1.00 25.24 N ATOM 1255 CA LEU A 79 21.619 -19.022 11.807 1.00 53.21 C ATOM 1256 C LEU A 79 22.448 -19.725 12.867 1.00 53.55 C ATOM 1257 O LEU A 79 21.905 -20.423 13.733 1.00 62.25 O ATOM 1258 CB LEU A 79 20.710 -17.966 12.470 1.00 53.33 C ATOM 1259 CG LEU A 79 21.502 -16.705 12.884 1.00 44.43 C ATOM 1260 CD1 LEU A 79 22.580 -17.048 13.914 1.00 75.51 C ATOM 1261 CD2 LEU A 79 22.151 -16.066 11.655 1.00 71.21 C ATOM 0 H LEU A 79 20.106 -20.458 11.709 1.00 25.24 H new ATOM 0 HA LEU A 79 22.285 -18.531 11.097 1.00 53.21 H new ATOM 0 HB2 LEU A 79 19.915 -17.685 11.779 1.00 53.33 H new ATOM 0 HB3 LEU A 79 20.231 -18.399 13.348 1.00 53.33 H new ATOM 0 HG LEU A 79 20.804 -16.000 13.335 1.00 44.43 H new ATOM 0 HD11 LEU A 79 23.122 -16.143 14.188 1.00 75.51 H new ATOM 0 HD12 LEU A 79 22.113 -17.474 14.802 1.00 75.51 H new ATOM 0 HD13 LEU A 79 23.274 -17.772 13.487 1.00 75.51 H new ATOM 0 HD21 LEU A 79 22.707 -15.178 11.957 1.00 71.21 H new ATOM 0 HD22 LEU A 79 22.832 -16.780 11.191 1.00 71.21 H new ATOM 0 HD23 LEU A 79 21.378 -15.784 10.940 1.00 71.21 H new ATOM 1273 N TYR A 80 23.747 -19.526 12.824 1.00 5.12 N ATOM 1274 CA TYR A 80 24.630 -20.116 13.812 1.00 41.02 C ATOM 1275 C TYR A 80 25.189 -19.093 14.766 1.00 42.44 C ATOM 1276 O TYR A 80 25.724 -18.070 14.344 1.00 55.24 O ATOM 1277 CB TYR A 80 25.760 -20.914 13.149 1.00 20.13 C ATOM 1278 CG TYR A 80 25.307 -22.334 12.981 1.00 72.33 C ATOM 1279 CD1 TYR A 80 24.525 -22.708 11.883 1.00 60.13 C ATOM 1280 CD2 TYR A 80 25.653 -23.279 13.949 1.00 32.42 C ATOM 1281 CE1 TYR A 80 24.088 -24.029 11.764 1.00 34.21 C ATOM 1282 CE2 TYR A 80 25.226 -24.591 13.829 1.00 4.45 C ATOM 1283 CZ TYR A 80 24.439 -24.970 12.738 1.00 1.20 C ATOM 1284 OH TYR A 80 23.997 -26.263 12.626 1.00 2.11 O ATOM 0 H TYR A 80 24.217 -18.961 12.117 1.00 5.12 H new ATOM 0 HA TYR A 80 24.022 -20.806 14.397 1.00 41.02 H new ATOM 0 HB2 TYR A 80 26.012 -20.480 12.181 1.00 20.13 H new ATOM 0 HB3 TYR A 80 26.661 -20.874 13.761 1.00 20.13 H new ATOM 0 HD1 TYR A 80 24.261 -21.979 11.131 1.00 60.13 H new ATOM 0 HD2 TYR A 80 26.256 -22.985 14.795 1.00 32.42 H new ATOM 0 HE1 TYR A 80 23.480 -24.324 10.921 1.00 34.21 H new ATOM 0 HE2 TYR A 80 25.501 -25.320 14.577 1.00 4.45 H new ATOM 0 HH TYR A 80 23.484 -26.504 13.425 1.00 2.11 H new ATOM 1294 N LEU A 81 25.129 -19.428 16.047 1.00 0.03 N ATOM 1295 CA LEU A 81 25.730 -18.638 17.113 1.00 31.14 C ATOM 1296 C LEU A 81 26.871 -19.452 17.697 1.00 52.43 C ATOM 1297 O LEU A 81 26.646 -20.345 18.520 1.00 25.33 O ATOM 1298 CB LEU A 81 24.681 -18.339 18.211 1.00 11.44 C ATOM 1299 CG LEU A 81 24.272 -16.849 18.204 1.00 63.32 C ATOM 1300 CD1 LEU A 81 24.131 -16.327 16.776 1.00 74.33 C ATOM 1301 CD2 LEU A 81 22.938 -16.683 18.939 1.00 62.13 C ATOM 0 H LEU A 81 24.655 -20.268 16.380 1.00 0.03 H new ATOM 0 HA LEU A 81 26.094 -17.687 16.724 1.00 31.14 H new ATOM 0 HB2 LEU A 81 23.800 -18.961 18.054 1.00 11.44 H new ATOM 0 HB3 LEU A 81 25.088 -18.602 19.187 1.00 11.44 H new ATOM 0 HG LEU A 81 25.051 -16.276 18.707 1.00 63.32 H new ATOM 0 HD11 LEU A 81 23.842 -15.276 16.800 1.00 74.33 H new ATOM 0 HD12 LEU A 81 25.083 -16.430 16.255 1.00 74.33 H new ATOM 0 HD13 LEU A 81 23.367 -16.901 16.252 1.00 74.33 H new ATOM 0 HD21 LEU A 81 22.649 -15.632 18.935 1.00 62.13 H new ATOM 0 HD22 LEU A 81 22.171 -17.273 18.438 1.00 62.13 H new ATOM 0 HD23 LEU A 81 23.045 -17.026 19.968 1.00 62.13 H new ATOM 1313 N LEU A 82 28.054 -19.272 17.147 1.00 41.20 N ATOM 1314 CA LEU A 82 29.190 -20.119 17.491 1.00 33.24 C ATOM 1315 C LEU A 82 29.719 -19.830 18.881 1.00 52.35 C ATOM 1316 O LEU A 82 29.456 -18.768 19.448 1.00 61.23 O ATOM 1317 CB LEU A 82 30.310 -19.978 16.468 1.00 34.41 C ATOM 1318 CG LEU A 82 29.811 -20.398 15.075 1.00 5.31 C ATOM 1319 CD1 LEU A 82 30.937 -20.218 14.062 1.00 4.22 C ATOM 1320 CD2 LEU A 82 29.356 -21.869 15.087 1.00 74.54 C ATOM 0 H LEU A 82 28.260 -18.548 16.459 1.00 41.20 H new ATOM 0 HA LEU A 82 28.827 -21.147 17.479 1.00 33.24 H new ATOM 0 HB2 LEU A 82 30.661 -18.946 16.441 1.00 34.41 H new ATOM 0 HB3 LEU A 82 31.159 -20.596 16.760 1.00 34.41 H new ATOM 0 HG LEU A 82 28.962 -19.773 14.799 1.00 5.31 H new ATOM 0 HD11 LEU A 82 30.588 -20.515 13.073 1.00 4.22 H new ATOM 0 HD12 LEU A 82 31.243 -19.172 14.040 1.00 4.22 H new ATOM 0 HD13 LEU A 82 31.786 -20.839 14.348 1.00 4.22 H new ATOM 0 HD21 LEU A 82 29.006 -22.150 14.094 1.00 74.54 H new ATOM 0 HD22 LEU A 82 30.193 -22.507 15.370 1.00 74.54 H new ATOM 0 HD23 LEU A 82 28.546 -21.993 15.806 1.00 74.54 H new