USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 587 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 211 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 236 HIS : no HD1:sc= -0.492 K(o=-0.49,f=-1.8) USER MOD Single : A 176 SER OG : rot 5:sc= 0.219 USER MOD Single : A 179 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 182 GLN : amide:sc= -0.459 X(o=-0.46,f=-0.045) USER MOD Single : A 184 THR OG1 : rot 180:sc= 0 USER MOD Single : A 188 CYS SG : rot 180:sc= 0 USER MOD Single : A 191 MET CE :methyl -128:sc= 0 (180deg=-0.0833) USER MOD Single : A 193 THR OG1 : rot 43:sc= 0.261 USER MOD Single : A 194 TYR OH : rot 180:sc= 0 USER MOD Single : A 195 SER OG : rot 180:sc= 0 USER MOD Single : A 196 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.011) USER MOD Single : A 197 GLN : amide:sc= -0.0657 K(o=-0.066,f=-11!) USER MOD Single : A 198 SER OG : rot 180:sc= 0 USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 203 SER OG : rot 180:sc= 0 USER MOD Single : A 204 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 205 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 207 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 209 HIS : no HE2:sc= 0.00452 X(o=0.0045,f=-0.067) USER MOD Single : A 214 MET CE :methyl -171:sc= 0 (180deg=-0.0988) USER MOD Single : A 217 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 CYS SG : rot -50:sc= 0.945 USER MOD Single : A 224 SER OG : rot 180:sc= 0 USER MOD Single : A 228 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 231 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 234 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 235 GLN : amide:sc= -0.215 X(o=-0.21,f=0) USER MOD Single : A 237 THR OG1 : rot 34:sc= 1.37 USER MOD Single : A 241 SER OG : rot 180:sc= 0 USER MOD Single : A 243 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 244 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 175 -1.733 -5.460 31.762 1.00 44.44 N ATOM 2 CA ARG A 175 -3.017 -6.123 31.537 1.00 25.31 C ATOM 3 C ARG A 175 -3.641 -5.351 30.375 1.00 23.33 C ATOM 4 O ARG A 175 -4.260 -4.314 30.615 1.00 72.25 O ATOM 5 CB ARG A 175 -3.915 -6.112 32.794 1.00 63.20 C ATOM 6 CG ARG A 175 -3.449 -7.050 33.925 1.00 35.43 C ATOM 7 CD ARG A 175 -4.540 -7.168 35.005 1.00 51.31 C ATOM 8 NE ARG A 175 -4.174 -8.101 36.094 1.00 63.41 N ATOM 9 CZ ARG A 175 -5.049 -8.723 36.907 1.00 22.04 C ATOM 10 NH1 ARG A 175 -6.348 -8.458 36.839 1.00 63.22 N1+ ATOM 11 NH2 ARG A 175 -4.617 -9.622 37.792 1.00 52.51 N ATOM 0 HA ARG A 175 -2.895 -7.182 31.310 1.00 25.31 H new ATOM 0 HB2 ARG A 175 -3.963 -5.094 33.181 1.00 63.20 H new ATOM 0 HB3 ARG A 175 -4.928 -6.391 32.503 1.00 63.20 H new ATOM 0 HG2 ARG A 175 -3.222 -8.036 33.519 1.00 35.43 H new ATOM 0 HG3 ARG A 175 -2.529 -6.668 34.368 1.00 35.43 H new ATOM 0 HD2 ARG A 175 -4.734 -6.182 35.428 1.00 51.31 H new ATOM 0 HD3 ARG A 175 -5.468 -7.504 34.542 1.00 51.31 H new ATOM 0 HE ARG A 175 -3.182 -8.287 36.240 1.00 63.41 H new ATOM 0 HH11 ARG A 175 -6.695 -7.776 36.165 1.00 63.22 H new ATOM 0 HH12 ARG A 175 -6.999 -8.937 37.461 1.00 63.22 H new ATOM 0 HH21 ARG A 175 -3.622 -9.839 37.854 1.00 52.51 H new ATOM 0 HH22 ARG A 175 -5.281 -10.092 38.407 1.00 52.51 H new ATOM 25 N SER A 176 -3.370 -5.768 29.135 1.00 54.30 N ATOM 26 CA SER A 176 -3.556 -4.971 27.923 1.00 40.15 C ATOM 27 C SER A 176 -3.037 -3.530 28.109 1.00 12.11 C ATOM 28 O SER A 176 -2.091 -3.306 28.879 1.00 40.04 O ATOM 29 CB SER A 176 -4.977 -5.143 27.352 1.00 24.33 C ATOM 30 OG SER A 176 -6.046 -4.820 28.230 1.00 71.11 O ATOM 0 H SER A 176 -3.003 -6.700 28.943 1.00 54.30 H new ATOM 0 HA SER A 176 -2.922 -5.354 27.123 1.00 40.15 H new ATOM 0 HB2 SER A 176 -5.066 -4.523 26.460 1.00 24.33 H new ATOM 0 HB3 SER A 176 -5.096 -6.179 27.033 1.00 24.33 H new ATOM 0 HG SER A 176 -5.685 -4.457 29.065 1.00 71.11 H new ATOM 36 N LEU A 177 -3.572 -2.572 27.353 1.00 42.40 N ATOM 37 CA LEU A 177 -3.343 -1.142 27.479 1.00 14.14 C ATOM 38 C LEU A 177 -4.722 -0.490 27.343 1.00 25.25 C ATOM 39 O LEU A 177 -5.389 -0.670 26.323 1.00 72.32 O ATOM 40 CB LEU A 177 -2.357 -0.679 26.385 1.00 62.05 C ATOM 41 CG LEU A 177 -1.585 0.629 26.654 1.00 74.24 C ATOM 42 CD1 LEU A 177 -2.488 1.833 26.939 1.00 32.31 C ATOM 43 CD2 LEU A 177 -0.572 0.461 27.795 1.00 21.13 C ATOM 0 H LEU A 177 -4.215 -2.792 26.592 1.00 42.40 H new ATOM 0 HA LEU A 177 -2.891 -0.864 28.431 1.00 14.14 H new ATOM 0 HB2 LEU A 177 -1.630 -1.475 26.223 1.00 62.05 H new ATOM 0 HB3 LEU A 177 -2.913 -0.561 25.455 1.00 62.05 H new ATOM 0 HG LEU A 177 -1.056 0.840 25.725 1.00 74.24 H new ATOM 0 HD11 LEU A 177 -1.873 2.715 27.118 1.00 32.31 H new ATOM 0 HD12 LEU A 177 -3.137 2.012 26.082 1.00 32.31 H new ATOM 0 HD13 LEU A 177 -3.097 1.630 27.820 1.00 32.31 H new ATOM 0 HD21 LEU A 177 -0.047 1.402 27.957 1.00 21.13 H new ATOM 0 HD22 LEU A 177 -1.096 0.176 28.708 1.00 21.13 H new ATOM 0 HD23 LEU A 177 0.147 -0.315 27.532 1.00 21.13 H new ATOM 55 N ARG A 178 -5.159 0.234 28.382 1.00 24.30 N ATOM 56 CA ARG A 178 -6.506 0.805 28.526 1.00 3.45 C ATOM 57 C ARG A 178 -7.616 -0.253 28.399 1.00 25.42 C ATOM 58 O ARG A 178 -7.353 -1.457 28.311 1.00 34.30 O ATOM 59 CB ARG A 178 -6.683 2.016 27.577 1.00 73.44 C ATOM 60 CG ARG A 178 -5.934 3.267 28.063 1.00 23.23 C ATOM 61 CD ARG A 178 -6.427 4.507 27.310 1.00 61.32 C ATOM 62 NE ARG A 178 -5.648 5.710 27.656 1.00 43.12 N ATOM 63 CZ ARG A 178 -5.253 6.677 26.817 1.00 4.41 C ATOM 64 NH1 ARG A 178 -5.545 6.630 25.522 1.00 33.23 N1+ ATOM 65 NH2 ARG A 178 -4.554 7.694 27.302 1.00 63.23 N ATOM 0 H ARG A 178 -4.559 0.447 29.179 1.00 24.30 H new ATOM 0 HA ARG A 178 -6.609 1.182 29.543 1.00 3.45 H new ATOM 0 HB2 ARG A 178 -6.326 1.748 26.583 1.00 73.44 H new ATOM 0 HB3 ARG A 178 -7.744 2.247 27.484 1.00 73.44 H new ATOM 0 HG2 ARG A 178 -6.088 3.398 29.134 1.00 23.23 H new ATOM 0 HG3 ARG A 178 -4.862 3.141 27.908 1.00 23.23 H new ATOM 0 HD2 ARG A 178 -6.361 4.329 26.237 1.00 61.32 H new ATOM 0 HD3 ARG A 178 -7.479 4.677 27.541 1.00 61.32 H new ATOM 0 HE ARG A 178 -5.382 5.817 28.635 1.00 43.12 H new ATOM 0 HH11 ARG A 178 -6.080 5.846 25.148 1.00 33.23 H new ATOM 0 HH12 ARG A 178 -5.234 7.377 24.902 1.00 33.23 H new ATOM 0 HH21 ARG A 178 -4.327 7.729 28.296 1.00 63.23 H new ATOM 0 HH22 ARG A 178 -4.243 8.441 26.681 1.00 63.23 H new ATOM 79 N GLN A 179 -8.876 0.170 28.484 1.00 24.00 N ATOM 80 CA GLN A 179 -10.056 -0.682 28.433 1.00 3.32 C ATOM 81 C GLN A 179 -10.695 -0.473 27.065 1.00 35.51 C ATOM 82 O GLN A 179 -11.435 0.489 26.842 1.00 2.32 O ATOM 83 CB GLN A 179 -10.982 -0.367 29.621 1.00 52.52 C ATOM 84 CG GLN A 179 -10.406 -0.962 30.915 1.00 55.30 C ATOM 85 CD GLN A 179 -11.110 -0.464 32.174 1.00 71.53 C ATOM 86 OE1 GLN A 179 -12.330 -0.380 32.232 1.00 14.25 O ATOM 87 NE2 GLN A 179 -10.356 -0.158 33.215 1.00 3.14 N ATOM 0 H GLN A 179 -9.109 1.157 28.595 1.00 24.00 H new ATOM 0 HA GLN A 179 -9.815 -1.740 28.536 1.00 3.32 H new ATOM 0 HB2 GLN A 179 -11.095 0.712 29.727 1.00 52.52 H new ATOM 0 HB3 GLN A 179 -11.976 -0.775 29.435 1.00 52.52 H new ATOM 0 HG2 GLN A 179 -10.480 -2.049 30.871 1.00 55.30 H new ATOM 0 HG3 GLN A 179 -9.346 -0.717 30.979 1.00 55.30 H new ATOM 0 HE21 GLN A 179 -9.341 -0.234 33.149 1.00 3.14 H new ATOM 0 HE22 GLN A 179 -10.789 0.154 34.084 1.00 3.14 H new ATOM 96 N ARG A 180 -10.348 -1.344 26.116 1.00 65.05 N ATOM 97 CA ARG A 180 -10.845 -1.309 24.744 1.00 64.25 C ATOM 98 C ARG A 180 -11.651 -2.572 24.495 1.00 43.03 C ATOM 99 O ARG A 180 -11.187 -3.665 24.855 1.00 61.12 O ATOM 100 CB ARG A 180 -9.667 -1.216 23.763 1.00 54.40 C ATOM 101 CG ARG A 180 -9.010 0.171 23.709 1.00 40.31 C ATOM 102 CD ARG A 180 -7.731 0.158 22.849 1.00 25.33 C ATOM 103 NE ARG A 180 -7.928 -0.434 21.508 1.00 63.12 N ATOM 104 CZ ARG A 180 -8.768 -0.035 20.546 1.00 4.44 C ATOM 105 NH1 ARG A 180 -9.361 1.152 20.588 1.00 33.41 N1+ ATOM 106 NH2 ARG A 180 -9.007 -0.828 19.513 1.00 74.54 N ATOM 0 H ARG A 180 -9.698 -2.111 26.287 1.00 65.05 H new ATOM 0 HA ARG A 180 -11.479 -0.435 24.593 1.00 64.25 H new ATOM 0 HB2 ARG A 180 -8.914 -1.953 24.043 1.00 54.40 H new ATOM 0 HB3 ARG A 180 -10.016 -1.481 22.765 1.00 54.40 H new ATOM 0 HG2 ARG A 180 -9.717 0.894 23.301 1.00 40.31 H new ATOM 0 HG3 ARG A 180 -8.767 0.499 24.720 1.00 40.31 H new ATOM 0 HD2 ARG A 180 -7.368 1.180 22.737 1.00 25.33 H new ATOM 0 HD3 ARG A 180 -6.956 -0.400 23.374 1.00 25.33 H new ATOM 0 HE ARG A 180 -7.352 -1.247 21.290 1.00 63.12 H new ATOM 0 HH11 ARG A 180 -9.180 1.785 21.367 1.00 33.41 H new ATOM 0 HH12 ARG A 180 -9.997 1.431 19.841 1.00 33.41 H new ATOM 0 HH21 ARG A 180 -8.552 -1.739 19.453 1.00 74.54 H new ATOM 0 HH22 ARG A 180 -9.647 -0.528 18.777 1.00 74.54 H new ATOM 120 N LEU A 181 -12.812 -2.437 23.857 1.00 42.44 N ATOM 121 CA LEU A 181 -13.640 -3.544 23.407 1.00 73.23 C ATOM 122 C LEU A 181 -14.270 -3.213 22.056 1.00 71.21 C ATOM 123 O LEU A 181 -14.389 -2.039 21.684 1.00 74.14 O ATOM 124 CB LEU A 181 -14.664 -3.948 24.496 1.00 33.22 C ATOM 125 CG LEU A 181 -15.922 -3.091 24.772 1.00 33.35 C ATOM 126 CD1 LEU A 181 -15.613 -1.611 25.020 1.00 5.21 C ATOM 127 CD2 LEU A 181 -17.017 -3.238 23.705 1.00 70.12 C ATOM 0 H LEU A 181 -13.211 -1.525 23.634 1.00 42.44 H new ATOM 0 HA LEU A 181 -13.020 -4.426 23.249 1.00 73.23 H new ATOM 0 HB2 LEU A 181 -15.011 -4.952 24.250 1.00 33.22 H new ATOM 0 HB3 LEU A 181 -14.117 -4.021 25.436 1.00 33.22 H new ATOM 0 HG LEU A 181 -16.316 -3.504 25.701 1.00 33.35 H new ATOM 0 HD11 LEU A 181 -16.542 -1.072 25.206 1.00 5.21 H new ATOM 0 HD12 LEU A 181 -14.958 -1.516 25.886 1.00 5.21 H new ATOM 0 HD13 LEU A 181 -15.119 -1.191 24.144 1.00 5.21 H new ATOM 0 HD21 LEU A 181 -17.867 -2.608 23.967 1.00 70.12 H new ATOM 0 HD22 LEU A 181 -16.624 -2.933 22.735 1.00 70.12 H new ATOM 0 HD23 LEU A 181 -17.339 -4.278 23.655 1.00 70.12 H new ATOM 139 N GLN A 182 -14.666 -4.239 21.307 1.00 62.31 N ATOM 140 CA GLN A 182 -15.426 -4.128 20.072 1.00 40.10 C ATOM 141 C GLN A 182 -16.157 -5.451 19.867 1.00 63.11 C ATOM 142 O GLN A 182 -15.738 -6.322 19.099 1.00 12.30 O ATOM 143 CB GLN A 182 -14.523 -3.743 18.890 1.00 72.53 C ATOM 144 CG GLN A 182 -15.337 -3.393 17.626 1.00 23.40 C ATOM 145 CD GLN A 182 -15.281 -4.403 16.477 1.00 41.05 C ATOM 146 OE1 GLN A 182 -16.269 -4.561 15.760 1.00 54.13 O ATOM 147 NE2 GLN A 182 -14.146 -5.044 16.240 1.00 22.23 N ATOM 0 H GLN A 182 -14.457 -5.206 21.556 1.00 62.31 H new ATOM 0 HA GLN A 182 -16.159 -3.323 20.135 1.00 40.10 H new ATOM 0 HB2 GLN A 182 -13.905 -2.890 19.170 1.00 72.53 H new ATOM 0 HB3 GLN A 182 -13.846 -4.568 18.668 1.00 72.53 H new ATOM 0 HG2 GLN A 182 -16.380 -3.264 17.916 1.00 23.40 H new ATOM 0 HG3 GLN A 182 -14.989 -2.430 17.252 1.00 23.40 H new ATOM 0 HE21 GLN A 182 -13.341 -4.897 16.848 1.00 22.23 H new ATOM 0 HE22 GLN A 182 -14.078 -5.685 15.449 1.00 22.23 H new ATOM 156 N ASP A 183 -17.254 -5.587 20.598 1.00 20.03 N ATOM 157 CA ASP A 183 -18.066 -6.792 20.719 1.00 43.12 C ATOM 158 C ASP A 183 -19.543 -6.426 20.669 1.00 32.23 C ATOM 159 O ASP A 183 -20.414 -7.255 20.902 1.00 34.24 O ATOM 160 CB ASP A 183 -17.657 -7.509 22.013 1.00 20.31 C ATOM 161 CG ASP A 183 -18.294 -8.886 22.151 1.00 12.13 C ATOM 162 OD1 ASP A 183 -17.765 -9.845 21.540 1.00 22.45 O ATOM 163 OD2 ASP A 183 -19.269 -9.017 22.918 1.00 23.45 O1- ATOM 0 H ASP A 183 -17.623 -4.816 21.155 1.00 20.03 H new ATOM 0 HA ASP A 183 -17.898 -7.477 19.888 1.00 43.12 H new ATOM 0 HB2 ASP A 183 -16.572 -7.611 22.039 1.00 20.31 H new ATOM 0 HB3 ASP A 183 -17.940 -6.895 22.868 1.00 20.31 H new ATOM 168 N THR A 184 -19.834 -5.161 20.356 1.00 51.30 N ATOM 169 CA THR A 184 -21.158 -4.595 20.488 1.00 22.11 C ATOM 170 C THR A 184 -22.139 -5.212 19.482 1.00 53.13 C ATOM 171 O THR A 184 -23.357 -5.146 19.653 1.00 71.31 O ATOM 172 CB THR A 184 -21.051 -3.060 20.327 1.00 3.31 C ATOM 173 OG1 THR A 184 -20.778 -2.727 18.978 1.00 25.41 O ATOM 174 CG2 THR A 184 -19.911 -2.419 21.139 1.00 51.10 C ATOM 0 H THR A 184 -19.141 -4.502 20.001 1.00 51.30 H new ATOM 0 HA THR A 184 -21.559 -4.825 21.475 1.00 22.11 H new ATOM 0 HB THR A 184 -22.009 -2.682 20.683 1.00 3.31 H new ATOM 0 HG1 THR A 184 -20.714 -1.753 18.888 1.00 25.41 H new ATOM 0 HG21 THR A 184 -19.905 -1.342 20.970 1.00 51.10 H new ATOM 0 HG22 THR A 184 -20.062 -2.619 22.200 1.00 51.10 H new ATOM 0 HG23 THR A 184 -18.957 -2.841 20.823 1.00 51.10 H new ATOM 182 N VAL A 185 -21.577 -5.796 18.427 1.00 43.51 N ATOM 183 CA VAL A 185 -22.171 -6.014 17.116 1.00 73.04 C ATOM 184 C VAL A 185 -23.034 -7.278 17.028 1.00 11.42 C ATOM 185 O VAL A 185 -23.508 -7.619 15.941 1.00 54.52 O ATOM 186 CB VAL A 185 -21.024 -6.000 16.079 1.00 23.54 C ATOM 187 CG1 VAL A 185 -20.263 -4.663 16.113 1.00 72.43 C ATOM 188 CG2 VAL A 185 -20.002 -7.132 16.288 1.00 23.12 C ATOM 0 H VAL A 185 -20.623 -6.155 18.472 1.00 43.51 H new ATOM 0 HA VAL A 185 -22.879 -5.211 16.908 1.00 73.04 H new ATOM 0 HB VAL A 185 -21.509 -6.145 15.114 1.00 23.54 H new ATOM 0 HG11 VAL A 185 -19.462 -4.681 15.374 1.00 72.43 H new ATOM 0 HG12 VAL A 185 -20.949 -3.848 15.884 1.00 72.43 H new ATOM 0 HG13 VAL A 185 -19.838 -4.512 17.105 1.00 72.43 H new ATOM 0 HG21 VAL A 185 -19.224 -7.065 15.527 1.00 23.12 H new ATOM 0 HG22 VAL A 185 -19.552 -7.038 17.276 1.00 23.12 H new ATOM 0 HG23 VAL A 185 -20.505 -8.096 16.208 1.00 23.12 H new ATOM 198 N GLY A 186 -23.215 -7.976 18.149 1.00 64.11 N ATOM 199 CA GLY A 186 -24.000 -9.192 18.242 1.00 14.24 C ATOM 200 C GLY A 186 -25.416 -8.959 17.728 1.00 62.45 C ATOM 201 O GLY A 186 -26.032 -7.924 17.989 1.00 21.23 O ATOM 0 H GLY A 186 -22.804 -7.697 19.040 1.00 64.11 H new ATOM 0 HA2 GLY A 186 -23.523 -9.984 17.664 1.00 14.24 H new ATOM 0 HA3 GLY A 186 -24.035 -9.530 19.278 1.00 14.24 H new ATOM 205 N LEU A 187 -25.930 -9.925 16.970 1.00 72.41 N ATOM 206 CA LEU A 187 -27.211 -9.790 16.291 1.00 12.03 C ATOM 207 C LEU A 187 -28.381 -9.994 17.246 1.00 61.21 C ATOM 208 O LEU A 187 -28.261 -10.649 18.287 1.00 12.43 O ATOM 209 CB LEU A 187 -27.262 -10.732 15.076 1.00 63.55 C ATOM 210 CG LEU A 187 -27.348 -12.234 15.424 1.00 32.34 C ATOM 211 CD1 LEU A 187 -28.797 -12.729 15.477 1.00 15.23 C ATOM 212 CD2 LEU A 187 -26.603 -13.040 14.362 1.00 11.21 C ATOM 0 H LEU A 187 -25.469 -10.821 16.811 1.00 72.41 H new ATOM 0 HA LEU A 187 -27.307 -8.769 15.922 1.00 12.03 H new ATOM 0 HB2 LEU A 187 -28.123 -10.466 14.463 1.00 63.55 H new ATOM 0 HB3 LEU A 187 -26.374 -10.565 14.467 1.00 63.55 H new ATOM 0 HG LEU A 187 -26.901 -12.369 16.409 1.00 32.34 H new ATOM 0 HD11 LEU A 187 -28.810 -13.790 15.725 1.00 15.23 H new ATOM 0 HD12 LEU A 187 -29.344 -12.172 16.237 1.00 15.23 H new ATOM 0 HD13 LEU A 187 -29.269 -12.577 14.506 1.00 15.23 H new ATOM 0 HD21 LEU A 187 -26.661 -14.101 14.604 1.00 11.21 H new ATOM 0 HD22 LEU A 187 -27.057 -12.864 13.387 1.00 11.21 H new ATOM 0 HD23 LEU A 187 -25.558 -12.730 14.337 1.00 11.21 H new ATOM 224 N CYS A 188 -29.547 -9.518 16.822 1.00 5.10 N ATOM 225 CA CYS A 188 -30.841 -9.753 17.438 1.00 41.23 C ATOM 226 C CYS A 188 -31.816 -10.194 16.348 1.00 61.24 C ATOM 227 O CYS A 188 -31.561 -9.989 15.156 1.00 13.40 O ATOM 228 CB CYS A 188 -31.335 -8.459 18.092 1.00 24.44 C ATOM 229 SG CYS A 188 -30.256 -7.978 19.469 1.00 53.45 S ATOM 0 H CYS A 188 -29.614 -8.926 15.994 1.00 5.10 H new ATOM 0 HA CYS A 188 -30.766 -10.526 18.203 1.00 41.23 H new ATOM 0 HB2 CYS A 188 -31.364 -7.660 17.351 1.00 24.44 H new ATOM 0 HB3 CYS A 188 -32.354 -8.595 18.454 1.00 24.44 H new ATOM 0 HG CYS A 188 -30.697 -6.878 20.002 1.00 53.45 H new ATOM 235 N PHE A 189 -32.942 -10.770 16.759 1.00 52.22 N ATOM 236 CA PHE A 189 -34.079 -11.016 15.883 1.00 21.13 C ATOM 237 C PHE A 189 -34.759 -9.683 15.528 1.00 22.14 C ATOM 238 O PHE A 189 -34.638 -8.719 16.289 1.00 63.21 O ATOM 239 CB PHE A 189 -35.095 -11.926 16.595 1.00 11.22 C ATOM 240 CG PHE A 189 -34.834 -13.420 16.508 1.00 52.44 C ATOM 241 CD1 PHE A 189 -33.632 -13.979 16.983 1.00 72.12 C ATOM 242 CD2 PHE A 189 -35.833 -14.272 16.000 1.00 41.44 C ATOM 243 CE1 PHE A 189 -33.449 -15.370 16.964 1.00 71.13 C ATOM 244 CE2 PHE A 189 -35.651 -15.666 15.989 1.00 33.44 C ATOM 245 CZ PHE A 189 -34.457 -16.219 16.480 1.00 32.31 C ATOM 0 H PHE A 189 -33.090 -11.081 17.719 1.00 52.22 H new ATOM 0 HA PHE A 189 -33.728 -11.501 14.972 1.00 21.13 H new ATOM 0 HB2 PHE A 189 -35.128 -11.645 17.648 1.00 11.22 H new ATOM 0 HB3 PHE A 189 -36.083 -11.726 16.181 1.00 11.22 H new ATOM 0 HD1 PHE A 189 -32.851 -13.337 17.362 1.00 72.12 H new ATOM 0 HD2 PHE A 189 -36.749 -13.850 15.614 1.00 41.44 H new ATOM 0 HE1 PHE A 189 -32.523 -15.792 17.326 1.00 71.13 H new ATOM 0 HE2 PHE A 189 -36.428 -16.310 15.604 1.00 33.44 H new ATOM 0 HZ PHE A 189 -34.315 -17.290 16.485 1.00 32.31 H new ATOM 255 N PRO A 190 -35.539 -9.641 14.430 1.00 74.42 N ATOM 256 CA PRO A 190 -36.484 -8.560 14.165 1.00 62.01 C ATOM 257 C PRO A 190 -37.615 -8.529 15.209 1.00 31.33 C ATOM 258 O PRO A 190 -37.686 -9.378 16.100 1.00 55.50 O ATOM 259 CB PRO A 190 -36.986 -8.818 12.738 1.00 44.41 C ATOM 260 CG PRO A 190 -36.826 -10.324 12.541 1.00 32.21 C ATOM 261 CD PRO A 190 -35.606 -10.662 13.391 1.00 14.15 C ATOM 0 HA PRO A 190 -36.024 -7.575 14.243 1.00 62.01 H new ATOM 0 HB2 PRO A 190 -38.025 -8.511 12.622 1.00 44.41 H new ATOM 0 HB3 PRO A 190 -36.404 -8.258 12.006 1.00 44.41 H new ATOM 0 HG2 PRO A 190 -37.710 -10.869 12.872 1.00 32.21 H new ATOM 0 HG3 PRO A 190 -36.669 -10.578 11.493 1.00 32.21 H new ATOM 0 HD2 PRO A 190 -35.699 -11.656 13.828 1.00 14.15 H new ATOM 0 HD3 PRO A 190 -34.699 -10.663 12.787 1.00 14.15 H new ATOM 269 N MET A 191 -38.529 -7.560 15.089 1.00 5.12 N ATOM 270 CA MET A 191 -39.598 -7.303 16.058 1.00 32.15 C ATOM 271 C MET A 191 -40.912 -6.970 15.328 1.00 53.20 C ATOM 272 O MET A 191 -41.661 -6.081 15.733 1.00 13.41 O ATOM 273 CB MET A 191 -39.139 -6.194 17.023 1.00 33.21 C ATOM 274 CG MET A 191 -39.922 -6.235 18.341 1.00 23.31 C ATOM 275 SD MET A 191 -39.679 -4.799 19.418 1.00 33.12 S ATOM 276 CE MET A 191 -40.672 -3.582 18.514 1.00 34.42 C ATOM 0 H MET A 191 -38.546 -6.918 14.297 1.00 5.12 H new ATOM 0 HA MET A 191 -39.802 -8.193 16.653 1.00 32.15 H new ATOM 0 HB2 MET A 191 -38.074 -6.306 17.228 1.00 33.21 H new ATOM 0 HB3 MET A 191 -39.272 -5.221 16.550 1.00 33.21 H new ATOM 0 HG2 MET A 191 -40.984 -6.324 18.113 1.00 23.31 H new ATOM 0 HG3 MET A 191 -39.637 -7.134 18.888 1.00 23.31 H new ATOM 0 HE1 MET A 191 -40.076 -2.687 18.335 1.00 34.42 H new ATOM 0 HE2 MET A 191 -40.986 -4.005 17.560 1.00 34.42 H new ATOM 0 HE3 MET A 191 -41.552 -3.321 19.102 1.00 34.42 H new ATOM 286 N ARG A 192 -41.152 -7.622 14.188 1.00 54.31 N ATOM 287 CA ARG A 192 -42.371 -7.535 13.393 1.00 71.24 C ATOM 288 C ARG A 192 -42.613 -8.918 12.804 1.00 74.33 C ATOM 289 O ARG A 192 -42.191 -9.203 11.677 1.00 44.54 O ATOM 290 CB ARG A 192 -42.217 -6.443 12.322 1.00 53.03 C ATOM 291 CG ARG A 192 -42.797 -5.086 12.756 1.00 10.34 C ATOM 292 CD ARG A 192 -41.847 -3.931 12.449 1.00 64.52 C ATOM 293 NE ARG A 192 -41.558 -3.840 11.008 1.00 53.10 N ATOM 294 CZ ARG A 192 -40.515 -3.204 10.465 1.00 23.44 C ATOM 295 NH1 ARG A 192 -39.658 -2.531 11.224 1.00 33.24 N1+ ATOM 296 NH2 ARG A 192 -40.343 -3.231 9.150 1.00 13.53 N ATOM 0 H ARG A 192 -40.466 -8.255 13.777 1.00 54.31 H new ATOM 0 HA ARG A 192 -43.236 -7.248 13.992 1.00 71.24 H new ATOM 0 HB2 ARG A 192 -41.160 -6.321 12.086 1.00 53.03 H new ATOM 0 HB3 ARG A 192 -42.713 -6.767 11.407 1.00 53.03 H new ATOM 0 HG2 ARG A 192 -43.747 -4.919 12.248 1.00 10.34 H new ATOM 0 HG3 ARG A 192 -43.007 -5.107 13.825 1.00 10.34 H new ATOM 0 HD2 ARG A 192 -42.287 -2.995 12.793 1.00 64.52 H new ATOM 0 HD3 ARG A 192 -40.917 -4.067 13.000 1.00 64.52 H new ATOM 0 HE ARG A 192 -42.208 -4.301 10.371 1.00 53.10 H new ATOM 0 HH11 ARG A 192 -39.791 -2.495 12.235 1.00 33.24 H new ATOM 0 HH12 ARG A 192 -38.866 -2.050 10.796 1.00 33.24 H new ATOM 0 HH21 ARG A 192 -41.005 -3.735 8.559 1.00 13.53 H new ATOM 0 HH22 ARG A 192 -39.549 -2.748 8.729 1.00 13.53 H new ATOM 310 N THR A 193 -43.238 -9.789 13.592 1.00 21.21 N ATOM 311 CA THR A 193 -43.554 -11.153 13.219 1.00 71.03 C ATOM 312 C THR A 193 -44.759 -11.138 12.285 1.00 61.34 C ATOM 313 O THR A 193 -45.900 -11.081 12.748 1.00 73.14 O ATOM 314 CB THR A 193 -43.772 -12.024 14.470 1.00 53.20 C ATOM 315 OG1 THR A 193 -44.744 -11.483 15.351 1.00 41.42 O ATOM 316 CG2 THR A 193 -42.477 -12.189 15.265 1.00 75.33 C ATOM 0 H THR A 193 -43.545 -9.552 14.535 1.00 21.21 H new ATOM 0 HA THR A 193 -42.719 -11.604 12.684 1.00 71.03 H new ATOM 0 HB THR A 193 -44.120 -12.986 14.093 1.00 53.20 H new ATOM 0 HG1 THR A 193 -45.508 -11.154 14.833 1.00 41.42 H new ATOM 0 HG21 THR A 193 -42.665 -12.809 16.142 1.00 75.33 H new ATOM 0 HG22 THR A 193 -41.723 -12.666 14.638 1.00 75.33 H new ATOM 0 HG23 THR A 193 -42.118 -11.210 15.583 1.00 75.33 H new ATOM 324 N TYR A 194 -44.504 -11.160 10.978 1.00 32.21 N ATOM 325 CA TYR A 194 -45.518 -11.111 9.929 1.00 24.41 C ATOM 326 C TYR A 194 -45.189 -12.130 8.835 1.00 2.42 C ATOM 327 O TYR A 194 -45.416 -11.887 7.649 1.00 43.14 O ATOM 328 CB TYR A 194 -45.660 -9.670 9.407 1.00 72.14 C ATOM 329 CG TYR A 194 -46.340 -8.718 10.375 1.00 73.13 C ATOM 330 CD1 TYR A 194 -47.620 -9.024 10.875 1.00 45.31 C ATOM 331 CD2 TYR A 194 -45.718 -7.511 10.751 1.00 72.31 C ATOM 332 CE1 TYR A 194 -48.273 -8.142 11.748 1.00 5.30 C ATOM 333 CE2 TYR A 194 -46.373 -6.617 11.619 1.00 32.21 C ATOM 334 CZ TYR A 194 -47.655 -6.928 12.118 1.00 42.51 C ATOM 335 OH TYR A 194 -48.322 -6.034 12.892 1.00 72.23 O ATOM 0 H TYR A 194 -43.555 -11.214 10.609 1.00 32.21 H new ATOM 0 HA TYR A 194 -46.492 -11.393 10.328 1.00 24.41 H new ATOM 0 HB2 TYR A 194 -44.669 -9.282 9.171 1.00 72.14 H new ATOM 0 HB3 TYR A 194 -46.226 -9.688 8.476 1.00 72.14 H new ATOM 0 HD1 TYR A 194 -48.103 -9.945 10.584 1.00 45.31 H new ATOM 0 HD2 TYR A 194 -44.736 -7.271 10.372 1.00 72.31 H new ATOM 0 HE1 TYR A 194 -49.249 -8.392 12.137 1.00 5.30 H new ATOM 0 HE2 TYR A 194 -45.893 -5.692 11.903 1.00 32.21 H new ATOM 0 HH TYR A 194 -47.753 -5.253 13.055 1.00 72.23 H new ATOM 345 N SER A 195 -44.613 -13.269 9.233 1.00 32.13 N ATOM 346 CA SER A 195 -44.160 -14.324 8.330 1.00 10.15 C ATOM 347 C SER A 195 -43.110 -13.796 7.339 1.00 61.15 C ATOM 348 O SER A 195 -42.541 -12.731 7.600 1.00 42.40 O ATOM 349 CB SER A 195 -45.369 -14.996 7.682 1.00 65.44 C ATOM 350 OG SER A 195 -46.457 -15.151 8.579 1.00 24.24 O ATOM 0 H SER A 195 -44.446 -13.485 10.216 1.00 32.13 H new ATOM 0 HA SER A 195 -43.640 -15.101 8.890 1.00 10.15 H new ATOM 0 HB2 SER A 195 -45.692 -14.405 6.825 1.00 65.44 H new ATOM 0 HB3 SER A 195 -45.075 -15.974 7.302 1.00 65.44 H new ATOM 0 HG SER A 195 -47.204 -15.584 8.115 1.00 24.24 H new ATOM 356 N LYS A 196 -42.748 -14.552 6.289 1.00 35.23 N ATOM 357 CA LYS A 196 -41.825 -14.070 5.248 1.00 32.13 C ATOM 358 C LYS A 196 -41.774 -14.979 4.012 1.00 0.52 C ATOM 359 O LYS A 196 -40.805 -14.931 3.250 1.00 54.11 O ATOM 360 CB LYS A 196 -40.405 -13.829 5.836 1.00 20.51 C ATOM 361 CG LYS A 196 -39.930 -12.377 5.680 1.00 51.31 C ATOM 362 CD LYS A 196 -39.694 -11.974 4.216 1.00 13.40 C ATOM 363 CE LYS A 196 -39.298 -10.499 4.079 1.00 13.14 C ATOM 364 NZ LYS A 196 -38.000 -10.188 4.707 1.00 11.14 N1+ ATOM 0 H LYS A 196 -43.082 -15.504 6.139 1.00 35.23 H new ATOM 0 HA LYS A 196 -42.223 -13.117 4.899 1.00 32.13 H new ATOM 0 HB2 LYS A 196 -40.406 -14.094 6.893 1.00 20.51 H new ATOM 0 HB3 LYS A 196 -39.696 -14.493 5.342 1.00 20.51 H new ATOM 0 HG2 LYS A 196 -40.671 -11.709 6.119 1.00 51.31 H new ATOM 0 HG3 LYS A 196 -39.006 -12.241 6.242 1.00 51.31 H new ATOM 0 HD2 LYS A 196 -38.910 -12.600 3.790 1.00 13.40 H new ATOM 0 HD3 LYS A 196 -40.600 -12.161 3.639 1.00 13.40 H new ATOM 0 HE2 LYS A 196 -39.255 -10.237 3.022 1.00 13.14 H new ATOM 0 HE3 LYS A 196 -40.072 -9.878 4.530 1.00 13.14 H new ATOM 0 HZ1 LYS A 196 -37.755 -9.194 4.524 1.00 11.14 H new ATOM 0 HZ2 LYS A 196 -38.064 -10.345 5.733 1.00 11.14 H new ATOM 0 HZ3 LYS A 196 -37.264 -10.805 4.308 1.00 11.14 H new ATOM 378 N GLN A 197 -42.755 -15.864 3.830 1.00 54.34 N ATOM 379 CA GLN A 197 -42.750 -16.882 2.781 1.00 31.24 C ATOM 380 C GLN A 197 -42.834 -16.274 1.368 1.00 14.24 C ATOM 381 O GLN A 197 -42.895 -15.053 1.204 1.00 54.12 O ATOM 382 CB GLN A 197 -43.812 -17.965 3.046 1.00 52.12 C ATOM 383 CG GLN A 197 -45.283 -17.527 2.923 1.00 43.43 C ATOM 384 CD GLN A 197 -45.833 -16.935 4.216 1.00 62.31 C ATOM 385 OE1 GLN A 197 -45.100 -16.632 5.156 1.00 22.03 O ATOM 386 NE2 GLN A 197 -47.138 -16.826 4.351 1.00 44.20 N ATOM 0 H GLN A 197 -43.588 -15.893 4.417 1.00 54.34 H new ATOM 0 HA GLN A 197 -41.783 -17.384 2.817 1.00 31.24 H new ATOM 0 HB2 GLN A 197 -43.641 -18.788 2.352 1.00 52.12 H new ATOM 0 HB3 GLN A 197 -43.656 -18.358 4.051 1.00 52.12 H new ATOM 0 HG2 GLN A 197 -45.373 -16.790 2.125 1.00 43.43 H new ATOM 0 HG3 GLN A 197 -45.890 -18.385 2.635 1.00 43.43 H new ATOM 0 HE21 GLN A 197 -47.753 -17.075 3.577 1.00 44.20 H new ATOM 0 HE22 GLN A 197 -47.534 -16.492 5.230 1.00 44.20 H new ATOM 395 N SER A 198 -42.820 -17.139 0.350 1.00 41.44 N ATOM 396 CA SER A 198 -42.750 -16.781 -1.064 1.00 54.41 C ATOM 397 C SER A 198 -41.505 -15.934 -1.364 1.00 63.14 C ATOM 398 O SER A 198 -41.572 -14.719 -1.551 1.00 14.14 O ATOM 399 CB SER A 198 -44.055 -16.118 -1.523 1.00 23.42 C ATOM 400 OG SER A 198 -45.192 -16.847 -1.082 1.00 4.34 O ATOM 0 H SER A 198 -42.859 -18.148 0.497 1.00 41.44 H new ATOM 0 HA SER A 198 -42.642 -17.694 -1.649 1.00 54.41 H new ATOM 0 HB2 SER A 198 -44.102 -15.100 -1.137 1.00 23.42 H new ATOM 0 HB3 SER A 198 -44.066 -16.048 -2.611 1.00 23.42 H new ATOM 0 HG SER A 198 -46.007 -16.398 -1.389 1.00 4.34 H new ATOM 406 N LYS A 199 -40.334 -16.580 -1.400 1.00 11.23 N ATOM 407 CA LYS A 199 -39.089 -15.985 -1.895 1.00 2.21 C ATOM 408 C LYS A 199 -38.368 -17.027 -2.746 1.00 2.30 C ATOM 409 O LYS A 199 -37.494 -17.720 -2.217 1.00 75.01 O ATOM 410 CB LYS A 199 -38.196 -15.433 -0.770 1.00 55.42 C ATOM 411 CG LYS A 199 -38.732 -14.111 -0.197 1.00 60.32 C ATOM 412 CD LYS A 199 -37.682 -13.358 0.640 1.00 62.24 C ATOM 413 CE LYS A 199 -37.532 -11.902 0.181 1.00 63.50 C ATOM 414 NZ LYS A 199 -36.852 -11.779 -1.127 1.00 45.33 N1+ ATOM 0 H LYS A 199 -40.224 -17.543 -1.082 1.00 11.23 H new ATOM 0 HA LYS A 199 -39.332 -15.115 -2.505 1.00 2.21 H new ATOM 0 HB2 LYS A 199 -38.124 -16.171 0.029 1.00 55.42 H new ATOM 0 HB3 LYS A 199 -37.187 -15.278 -1.152 1.00 55.42 H new ATOM 0 HG2 LYS A 199 -39.064 -13.473 -1.016 1.00 60.32 H new ATOM 0 HG3 LYS A 199 -39.606 -14.316 0.422 1.00 60.32 H new ATOM 0 HD2 LYS A 199 -37.969 -13.381 1.691 1.00 62.24 H new ATOM 0 HD3 LYS A 199 -36.721 -13.866 0.561 1.00 62.24 H new ATOM 0 HE2 LYS A 199 -38.519 -11.443 0.117 1.00 63.50 H new ATOM 0 HE3 LYS A 199 -36.970 -11.346 0.931 1.00 63.50 H new ATOM 0 HZ1 LYS A 199 -36.778 -10.775 -1.387 1.00 45.33 H new ATOM 0 HZ2 LYS A 199 -35.899 -12.191 -1.063 1.00 45.33 H new ATOM 0 HZ3 LYS A 199 -37.400 -12.285 -1.852 1.00 45.33 H new ATOM 428 N PRO A 200 -38.749 -17.191 -4.023 1.00 22.33 N ATOM 429 CA PRO A 200 -38.037 -18.052 -4.950 1.00 61.21 C ATOM 430 C PRO A 200 -36.710 -17.402 -5.358 1.00 63.15 C ATOM 431 O PRO A 200 -36.446 -16.228 -5.035 1.00 70.42 O ATOM 432 CB PRO A 200 -38.988 -18.209 -6.140 1.00 43.42 C ATOM 433 CG PRO A 200 -39.700 -16.866 -6.184 1.00 75.53 C ATOM 434 CD PRO A 200 -39.844 -16.514 -4.705 1.00 21.14 C ATOM 0 HA PRO A 200 -37.777 -19.020 -4.522 1.00 61.21 H new ATOM 0 HB2 PRO A 200 -38.448 -18.411 -7.065 1.00 43.42 H new ATOM 0 HB3 PRO A 200 -39.687 -19.032 -5.993 1.00 43.42 H new ATOM 0 HG2 PRO A 200 -39.120 -16.118 -6.724 1.00 75.53 H new ATOM 0 HG3 PRO A 200 -40.668 -16.937 -6.680 1.00 75.53 H new ATOM 0 HD2 PRO A 200 -39.791 -15.436 -4.554 1.00 21.14 H new ATOM 0 HD3 PRO A 200 -40.808 -16.843 -4.318 1.00 21.14 H new ATOM 442 N LEU A 201 -35.882 -18.156 -6.085 1.00 44.43 N ATOM 443 CA LEU A 201 -34.683 -17.663 -6.753 1.00 11.42 C ATOM 444 C LEU A 201 -34.215 -18.636 -7.827 1.00 51.40 C ATOM 445 O LEU A 201 -34.521 -19.825 -7.768 1.00 54.24 O ATOM 446 CB LEU A 201 -33.558 -17.418 -5.734 1.00 24.05 C ATOM 447 CG LEU A 201 -33.025 -18.668 -5.001 1.00 44.05 C ATOM 448 CD1 LEU A 201 -31.769 -19.225 -5.685 1.00 42.43 C ATOM 449 CD2 LEU A 201 -32.700 -18.294 -3.551 1.00 3.33 C ATOM 0 H LEU A 201 -36.035 -19.154 -6.227 1.00 44.43 H new ATOM 0 HA LEU A 201 -34.934 -16.717 -7.234 1.00 11.42 H new ATOM 0 HB2 LEU A 201 -32.725 -16.941 -6.250 1.00 24.05 H new ATOM 0 HB3 LEU A 201 -33.918 -16.710 -4.988 1.00 24.05 H new ATOM 0 HG LEU A 201 -33.792 -19.442 -5.030 1.00 44.05 H new ATOM 0 HD11 LEU A 201 -31.420 -20.104 -5.144 1.00 42.43 H new ATOM 0 HD12 LEU A 201 -32.006 -19.502 -6.712 1.00 42.43 H new ATOM 0 HD13 LEU A 201 -30.988 -18.465 -5.685 1.00 42.43 H new ATOM 0 HD21 LEU A 201 -32.323 -19.171 -3.025 1.00 3.33 H new ATOM 0 HD22 LEU A 201 -31.943 -17.510 -3.538 1.00 3.33 H new ATOM 0 HD23 LEU A 201 -33.603 -17.935 -3.057 1.00 3.33 H new ATOM 461 N PHE A 202 -33.391 -18.150 -8.759 1.00 5.10 N ATOM 462 CA PHE A 202 -32.698 -18.970 -9.755 1.00 64.12 C ATOM 463 C PHE A 202 -31.252 -18.457 -9.922 1.00 52.51 C ATOM 464 O PHE A 202 -30.691 -18.439 -11.019 1.00 4.24 O ATOM 465 CB PHE A 202 -33.544 -19.031 -11.043 1.00 64.31 C ATOM 466 CG PHE A 202 -33.598 -20.385 -11.734 1.00 42.43 C ATOM 467 CD1 PHE A 202 -34.313 -21.444 -11.139 1.00 30.41 C ATOM 468 CD2 PHE A 202 -33.019 -20.571 -13.005 1.00 65.05 C ATOM 469 CE1 PHE A 202 -34.462 -22.670 -11.814 1.00 24.05 C ATOM 470 CE2 PHE A 202 -33.170 -21.797 -13.679 1.00 14.43 C ATOM 471 CZ PHE A 202 -33.903 -22.843 -13.091 1.00 35.32 C ATOM 0 H PHE A 202 -33.183 -17.155 -8.844 1.00 5.10 H new ATOM 0 HA PHE A 202 -32.595 -20.007 -9.435 1.00 64.12 H new ATOM 0 HB2 PHE A 202 -34.562 -18.726 -10.802 1.00 64.31 H new ATOM 0 HB3 PHE A 202 -33.151 -18.299 -11.749 1.00 64.31 H new ATOM 0 HD1 PHE A 202 -34.749 -21.314 -10.160 1.00 30.41 H new ATOM 0 HD2 PHE A 202 -32.458 -19.770 -13.463 1.00 65.05 H new ATOM 0 HE1 PHE A 202 -35.007 -23.479 -11.350 1.00 24.05 H new ATOM 0 HE2 PHE A 202 -32.721 -21.935 -14.652 1.00 14.43 H new ATOM 0 HZ PHE A 202 -34.036 -23.776 -13.619 1.00 35.32 H new ATOM 481 N SER A 203 -30.670 -18.023 -8.795 1.00 15.14 N ATOM 482 CA SER A 203 -29.268 -17.684 -8.549 1.00 33.33 C ATOM 483 C SER A 203 -28.617 -16.782 -9.611 1.00 3.11 C ATOM 484 O SER A 203 -27.536 -17.111 -10.109 1.00 43.21 O ATOM 485 CB SER A 203 -28.460 -18.976 -8.307 1.00 34.23 C ATOM 486 OG SER A 203 -29.091 -19.823 -7.359 1.00 54.15 O ATOM 0 H SER A 203 -31.228 -17.889 -7.952 1.00 15.14 H new ATOM 0 HA SER A 203 -29.254 -17.067 -7.651 1.00 33.33 H new ATOM 0 HB2 SER A 203 -28.340 -19.511 -9.249 1.00 34.23 H new ATOM 0 HB3 SER A 203 -27.460 -18.719 -7.956 1.00 34.23 H new ATOM 0 HG SER A 203 -28.552 -20.632 -7.233 1.00 54.15 H new ATOM 492 N ASN A 204 -29.198 -15.612 -9.923 1.00 33.34 N ATOM 493 CA ASN A 204 -28.623 -14.688 -10.917 1.00 23.22 C ATOM 494 C ASN A 204 -27.963 -13.436 -10.313 1.00 63.13 C ATOM 495 O ASN A 204 -28.119 -12.324 -10.822 1.00 34.55 O ATOM 496 CB ASN A 204 -29.611 -14.371 -12.054 1.00 43.13 C ATOM 497 CG ASN A 204 -28.906 -14.512 -13.401 1.00 52.12 C ATOM 498 OD1 ASN A 204 -27.953 -13.801 -13.717 1.00 12.14 O ATOM 499 ND2 ASN A 204 -29.296 -15.481 -14.203 1.00 65.03 N ATOM 0 H ASN A 204 -30.066 -15.282 -9.501 1.00 33.34 H new ATOM 0 HA ASN A 204 -27.792 -15.229 -11.369 1.00 23.22 H new ATOM 0 HB2 ASN A 204 -30.464 -15.047 -12.007 1.00 43.13 H new ATOM 0 HB3 ASN A 204 -30.000 -13.359 -11.940 1.00 43.13 H new ATOM 0 HD21 ASN A 204 -28.808 -15.641 -15.084 1.00 65.03 H new ATOM 0 HD22 ASN A 204 -30.086 -16.072 -13.943 1.00 65.03 H new ATOM 506 N LYS A 205 -27.168 -13.602 -9.251 1.00 32.23 N ATOM 507 CA LYS A 205 -26.391 -12.517 -8.641 1.00 5.31 C ATOM 508 C LYS A 205 -24.878 -12.692 -8.826 1.00 74.31 C ATOM 509 O LYS A 205 -24.129 -11.806 -8.416 1.00 44.22 O ATOM 510 CB LYS A 205 -26.775 -12.395 -7.154 1.00 4.33 C ATOM 511 CG LYS A 205 -28.248 -11.996 -6.915 1.00 24.12 C ATOM 512 CD LYS A 205 -28.639 -10.608 -7.439 1.00 43.10 C ATOM 513 CE LYS A 205 -27.844 -9.528 -6.701 1.00 53.42 C ATOM 514 NZ LYS A 205 -28.097 -8.177 -7.227 1.00 41.42 N1+ ATOM 0 H LYS A 205 -27.044 -14.501 -8.786 1.00 32.23 H new ATOM 0 HA LYS A 205 -26.640 -11.589 -9.155 1.00 5.31 H new ATOM 0 HB2 LYS A 205 -26.583 -13.348 -6.661 1.00 4.33 H new ATOM 0 HB3 LYS A 205 -26.128 -11.656 -6.682 1.00 4.33 H new ATOM 0 HG2 LYS A 205 -28.891 -12.740 -7.386 1.00 24.12 H new ATOM 0 HG3 LYS A 205 -28.449 -12.033 -5.844 1.00 24.12 H new ATOM 0 HD2 LYS A 205 -28.445 -10.546 -8.510 1.00 43.10 H new ATOM 0 HD3 LYS A 205 -29.708 -10.445 -7.299 1.00 43.10 H new ATOM 0 HE2 LYS A 205 -28.100 -9.555 -5.642 1.00 53.42 H new ATOM 0 HE3 LYS A 205 -26.780 -9.750 -6.778 1.00 53.42 H new ATOM 0 HZ1 LYS A 205 -27.534 -7.485 -6.692 1.00 41.42 H new ATOM 0 HZ2 LYS A 205 -27.829 -8.139 -8.231 1.00 41.42 H new ATOM 0 HZ3 LYS A 205 -29.107 -7.950 -7.130 1.00 41.42 H new ATOM 528 N ARG A 206 -24.401 -13.778 -9.451 1.00 72.04 N ATOM 529 CA ARG A 206 -22.972 -14.116 -9.528 1.00 44.22 C ATOM 530 C ARG A 206 -22.410 -14.125 -10.954 1.00 14.02 C ATOM 531 O ARG A 206 -21.475 -14.877 -11.237 1.00 71.11 O ATOM 532 CB ARG A 206 -22.663 -15.382 -8.696 1.00 34.22 C ATOM 533 CG ARG A 206 -23.005 -16.736 -9.349 1.00 44.22 C ATOM 534 CD ARG A 206 -21.771 -17.658 -9.509 1.00 73.05 C ATOM 535 NE ARG A 206 -21.774 -18.792 -8.564 1.00 44.20 N ATOM 536 CZ ARG A 206 -22.602 -19.844 -8.630 1.00 1.34 C ATOM 537 NH1 ARG A 206 -23.501 -19.937 -9.598 1.00 3.11 N1+ ATOM 538 NH2 ARG A 206 -22.587 -20.799 -7.712 1.00 20.34 N ATOM 0 H ARG A 206 -25.003 -14.454 -9.922 1.00 72.04 H new ATOM 0 HA ARG A 206 -22.417 -13.301 -9.063 1.00 44.22 H new ATOM 0 HB2 ARG A 206 -21.600 -15.379 -8.453 1.00 34.22 H new ATOM 0 HB3 ARG A 206 -23.206 -15.311 -7.753 1.00 34.22 H new ATOM 0 HG2 ARG A 206 -23.756 -17.245 -8.745 1.00 44.22 H new ATOM 0 HG3 ARG A 206 -23.449 -16.559 -10.329 1.00 44.22 H new ATOM 0 HD2 ARG A 206 -21.740 -18.042 -10.529 1.00 73.05 H new ATOM 0 HD3 ARG A 206 -20.864 -17.071 -9.362 1.00 73.05 H new ATOM 0 HE ARG A 206 -21.095 -18.774 -7.803 1.00 44.20 H new ATOM 0 HH11 ARG A 206 -23.569 -19.203 -10.303 1.00 3.11 H new ATOM 0 HH12 ARG A 206 -24.126 -20.742 -9.638 1.00 3.11 H new ATOM 0 HH21 ARG A 206 -21.934 -20.745 -6.930 1.00 20.34 H new ATOM 0 HH22 ARG A 206 -23.228 -21.589 -7.787 1.00 20.34 H new ATOM 552 N LYS A 207 -22.959 -13.346 -11.896 1.00 13.45 N ATOM 553 CA LYS A 207 -22.314 -13.051 -13.175 1.00 44.04 C ATOM 554 C LYS A 207 -21.089 -12.186 -12.894 1.00 62.01 C ATOM 555 O LYS A 207 -21.140 -10.966 -13.082 1.00 42.43 O ATOM 556 CB LYS A 207 -23.259 -12.362 -14.182 1.00 24.21 C ATOM 557 CG LYS A 207 -24.119 -13.327 -14.998 1.00 43.43 C ATOM 558 CD LYS A 207 -25.041 -12.577 -15.964 1.00 14.11 C ATOM 559 CE LYS A 207 -25.583 -13.554 -17.013 1.00 12.52 C ATOM 560 NZ LYS A 207 -26.411 -12.869 -18.022 1.00 13.51 N1+ ATOM 0 H LYS A 207 -23.870 -12.901 -11.787 1.00 13.45 H new ATOM 0 HA LYS A 207 -22.024 -13.991 -13.645 1.00 44.04 H new ATOM 0 HB2 LYS A 207 -23.914 -11.680 -13.640 1.00 24.21 H new ATOM 0 HB3 LYS A 207 -22.664 -11.757 -14.866 1.00 24.21 H new ATOM 0 HG2 LYS A 207 -23.475 -14.004 -15.559 1.00 43.43 H new ATOM 0 HG3 LYS A 207 -24.717 -13.941 -14.325 1.00 43.43 H new ATOM 0 HD2 LYS A 207 -25.865 -12.120 -15.416 1.00 14.11 H new ATOM 0 HD3 LYS A 207 -24.495 -11.769 -16.451 1.00 14.11 H new ATOM 0 HE2 LYS A 207 -24.751 -14.057 -17.506 1.00 12.52 H new ATOM 0 HE3 LYS A 207 -26.175 -14.325 -16.520 1.00 12.52 H new ATOM 0 HZ1 LYS A 207 -26.759 -13.563 -18.714 1.00 13.51 H new ATOM 0 HZ2 LYS A 207 -27.219 -12.410 -17.555 1.00 13.51 H new ATOM 0 HZ3 LYS A 207 -25.840 -12.150 -18.510 1.00 13.51 H new ATOM 574 N ILE A 208 -20.023 -12.824 -12.427 1.00 1.30 N ATOM 575 CA ILE A 208 -18.673 -12.299 -12.428 1.00 11.50 C ATOM 576 C ILE A 208 -18.241 -12.091 -13.875 1.00 21.22 C ATOM 577 O ILE A 208 -18.860 -12.612 -14.815 1.00 5.12 O ATOM 578 CB ILE A 208 -17.784 -13.248 -11.570 1.00 32.34 C ATOM 579 CG1 ILE A 208 -18.110 -12.966 -10.082 1.00 21.11 C ATOM 580 CG2 ILE A 208 -16.271 -13.208 -11.855 1.00 34.12 C ATOM 581 CD1 ILE A 208 -17.197 -13.662 -9.067 1.00 64.43 C ATOM 0 H ILE A 208 -20.083 -13.758 -12.022 1.00 1.30 H new ATOM 0 HA ILE A 208 -18.581 -11.318 -11.961 1.00 11.50 H new ATOM 0 HB ILE A 208 -18.036 -14.271 -11.851 1.00 32.34 H new ATOM 0 HG12 ILE A 208 -18.059 -11.890 -9.914 1.00 21.11 H new ATOM 0 HG13 ILE A 208 -19.139 -13.270 -9.889 1.00 21.11 H new ATOM 0 HG21 ILE A 208 -15.758 -13.910 -11.197 1.00 34.12 H new ATOM 0 HG22 ILE A 208 -16.089 -13.485 -12.893 1.00 34.12 H new ATOM 0 HG23 ILE A 208 -15.894 -12.201 -11.676 1.00 34.12 H new ATOM 0 HD11 ILE A 208 -17.509 -13.399 -8.056 1.00 64.43 H new ATOM 0 HD12 ILE A 208 -17.264 -14.742 -9.198 1.00 64.43 H new ATOM 0 HD13 ILE A 208 -16.167 -13.341 -9.223 1.00 64.43 H new ATOM 593 N HIS A 209 -17.195 -11.296 -14.050 1.00 41.32 N ATOM 594 CA HIS A 209 -16.510 -11.104 -15.303 1.00 63.01 C ATOM 595 C HIS A 209 -15.220 -11.922 -15.292 1.00 55.52 C ATOM 596 O HIS A 209 -14.382 -11.760 -14.407 1.00 14.34 O ATOM 597 CB HIS A 209 -16.269 -9.610 -15.549 1.00 3.24 C ATOM 598 CG HIS A 209 -17.090 -9.076 -16.684 1.00 14.44 C ATOM 599 ND1 HIS A 209 -16.611 -8.521 -17.848 1.00 43.42 N ATOM 600 CD2 HIS A 209 -18.454 -9.097 -16.749 1.00 41.34 C ATOM 601 CE1 HIS A 209 -17.675 -8.216 -18.610 1.00 35.43 C ATOM 602 NE2 HIS A 209 -18.821 -8.564 -17.988 1.00 2.45 N ATOM 0 H HIS A 209 -16.791 -10.750 -13.289 1.00 41.32 H new ATOM 0 HA HIS A 209 -17.120 -11.458 -16.134 1.00 63.01 H new ATOM 0 HB2 HIS A 209 -16.503 -9.053 -14.642 1.00 3.24 H new ATOM 0 HB3 HIS A 209 -15.212 -9.446 -15.760 1.00 3.24 H new ATOM 0 HD1 HIS A 209 -15.631 -8.369 -18.088 1.00 43.42 H new ATOM 0 HD2 HIS A 209 -19.125 -9.459 -15.984 1.00 41.34 H new ATOM 0 HE1 HIS A 209 -17.621 -7.756 -19.586 1.00 35.43 H new ATOM 610 N LEU A 210 -15.063 -12.787 -16.299 1.00 24.30 N ATOM 611 CA LEU A 210 -13.864 -13.587 -16.569 1.00 74.33 C ATOM 612 C LEU A 210 -12.637 -12.676 -16.760 1.00 64.15 C ATOM 613 O LEU A 210 -11.499 -13.068 -16.504 1.00 4.22 O ATOM 614 CB LEU A 210 -14.128 -14.434 -17.836 1.00 35.43 C ATOM 615 CG LEU A 210 -13.458 -15.819 -17.881 1.00 23.31 C ATOM 616 CD1 LEU A 210 -13.772 -16.486 -19.222 1.00 42.23 C ATOM 617 CD2 LEU A 210 -11.942 -15.781 -17.691 1.00 61.45 C ATOM 0 H LEU A 210 -15.803 -12.956 -16.980 1.00 24.30 H new ATOM 0 HA LEU A 210 -13.651 -14.243 -15.725 1.00 74.33 H new ATOM 0 HB2 LEU A 210 -15.205 -14.571 -17.938 1.00 35.43 H new ATOM 0 HB3 LEU A 210 -13.796 -13.865 -18.704 1.00 35.43 H new ATOM 0 HG LEU A 210 -13.865 -16.385 -17.043 1.00 23.31 H new ATOM 0 HD11 LEU A 210 -13.300 -17.468 -19.259 1.00 42.23 H new ATOM 0 HD12 LEU A 210 -14.851 -16.598 -19.329 1.00 42.23 H new ATOM 0 HD13 LEU A 210 -13.389 -15.868 -20.034 1.00 42.23 H new ATOM 0 HD21 LEU A 210 -11.544 -16.795 -17.735 1.00 61.45 H new ATOM 0 HD22 LEU A 210 -11.491 -15.180 -18.480 1.00 61.45 H new ATOM 0 HD23 LEU A 210 -11.708 -15.341 -16.721 1.00 61.45 H new ATOM 629 N SER A 211 -12.890 -11.447 -17.205 1.00 3.02 N ATOM 630 CA SER A 211 -11.958 -10.345 -17.280 1.00 64.31 C ATOM 631 C SER A 211 -12.705 -9.177 -16.649 1.00 54.04 C ATOM 632 O SER A 211 -13.395 -8.417 -17.337 1.00 2.11 O ATOM 633 CB SER A 211 -11.562 -10.143 -18.746 1.00 73.53 C ATOM 634 OG SER A 211 -10.593 -9.130 -18.923 1.00 23.32 O ATOM 0 H SER A 211 -13.816 -11.187 -17.543 1.00 3.02 H new ATOM 0 HA SER A 211 -11.016 -10.491 -16.752 1.00 64.31 H new ATOM 0 HB2 SER A 211 -11.175 -11.081 -19.144 1.00 73.53 H new ATOM 0 HB3 SER A 211 -12.451 -9.893 -19.325 1.00 73.53 H new ATOM 0 HG SER A 211 -10.378 -9.046 -19.875 1.00 23.32 H new ATOM 640 N GLU A 212 -12.708 -9.127 -15.320 1.00 61.43 N ATOM 641 CA GLU A 212 -13.153 -7.940 -14.589 1.00 71.32 C ATOM 642 C GLU A 212 -12.007 -6.932 -14.507 1.00 51.54 C ATOM 643 O GLU A 212 -10.851 -7.298 -14.689 1.00 40.14 O ATOM 644 CB GLU A 212 -13.699 -8.305 -13.204 1.00 52.21 C ATOM 645 CG GLU A 212 -12.651 -8.825 -12.211 1.00 41.53 C ATOM 646 CD GLU A 212 -13.315 -9.057 -10.857 1.00 31.35 C ATOM 647 OE1 GLU A 212 -14.134 -9.998 -10.747 1.00 24.25 O1- ATOM 648 OE2 GLU A 212 -13.106 -8.248 -9.922 1.00 43.43 O ATOM 0 H GLU A 212 -12.406 -9.897 -14.723 1.00 61.43 H new ATOM 0 HA GLU A 212 -13.979 -7.479 -15.131 1.00 71.32 H new ATOM 0 HB2 GLU A 212 -14.179 -7.425 -12.775 1.00 52.21 H new ATOM 0 HB3 GLU A 212 -14.473 -9.063 -13.323 1.00 52.21 H new ATOM 0 HG2 GLU A 212 -12.213 -9.753 -12.579 1.00 41.53 H new ATOM 0 HG3 GLU A 212 -11.838 -8.106 -12.112 1.00 41.53 H new ATOM 655 N LEU A 213 -12.312 -5.676 -14.188 1.00 24.44 N ATOM 656 CA LEU A 213 -11.343 -4.684 -13.739 1.00 44.23 C ATOM 657 C LEU A 213 -12.111 -3.626 -12.955 1.00 32.50 C ATOM 658 O LEU A 213 -13.301 -3.441 -13.208 1.00 52.31 O ATOM 659 CB LEU A 213 -10.627 -4.029 -14.947 1.00 53.53 C ATOM 660 CG LEU A 213 -9.089 -4.152 -14.873 1.00 40.33 C ATOM 661 CD1 LEU A 213 -8.574 -5.053 -15.995 1.00 1.01 C ATOM 662 CD2 LEU A 213 -8.401 -2.785 -14.959 1.00 32.21 C ATOM 0 H LEU A 213 -13.264 -5.313 -14.236 1.00 24.44 H new ATOM 0 HA LEU A 213 -10.580 -5.155 -13.120 1.00 44.23 H new ATOM 0 HB2 LEU A 213 -10.980 -4.494 -15.868 1.00 53.53 H new ATOM 0 HB3 LEU A 213 -10.900 -2.975 -14.997 1.00 53.53 H new ATOM 0 HG LEU A 213 -8.847 -4.593 -13.906 1.00 40.33 H new ATOM 0 HD11 LEU A 213 -7.489 -5.130 -15.930 1.00 1.01 H new ATOM 0 HD12 LEU A 213 -9.015 -6.045 -15.897 1.00 1.01 H new ATOM 0 HD13 LEU A 213 -8.850 -4.627 -16.960 1.00 1.01 H new ATOM 0 HD21 LEU A 213 -7.321 -2.917 -14.903 1.00 32.21 H new ATOM 0 HD22 LEU A 213 -8.660 -2.306 -15.903 1.00 32.21 H new ATOM 0 HD23 LEU A 213 -8.733 -2.158 -14.132 1.00 32.21 H new ATOM 674 N MET A 214 -11.412 -2.860 -12.112 1.00 0.24 N ATOM 675 CA MET A 214 -11.918 -1.656 -11.443 1.00 32.05 C ATOM 676 C MET A 214 -13.328 -1.817 -10.849 1.00 23.33 C ATOM 677 O MET A 214 -14.190 -0.944 -10.991 1.00 53.34 O ATOM 678 CB MET A 214 -11.715 -0.397 -12.309 1.00 13.22 C ATOM 679 CG MET A 214 -12.489 -0.385 -13.635 1.00 41.51 C ATOM 680 SD MET A 214 -12.202 1.094 -14.640 1.00 21.51 S ATOM 681 CE MET A 214 -13.111 2.329 -13.668 1.00 63.42 C ATOM 0 H MET A 214 -10.444 -3.068 -11.868 1.00 0.24 H new ATOM 0 HA MET A 214 -11.301 -1.504 -10.557 1.00 32.05 H new ATOM 0 HB2 MET A 214 -12.009 0.476 -11.727 1.00 13.22 H new ATOM 0 HB3 MET A 214 -10.652 -0.292 -12.526 1.00 13.22 H new ATOM 0 HG2 MET A 214 -12.211 -1.265 -14.214 1.00 41.51 H new ATOM 0 HG3 MET A 214 -13.555 -0.467 -13.423 1.00 41.51 H new ATOM 0 HE1 MET A 214 -13.170 3.262 -14.229 1.00 63.42 H new ATOM 0 HE2 MET A 214 -14.117 1.963 -13.465 1.00 63.42 H new ATOM 0 HE3 MET A 214 -12.592 2.505 -12.726 1.00 63.42 H new ATOM 691 N LEU A 215 -13.546 -2.931 -10.143 1.00 34.21 N ATOM 692 CA LEU A 215 -14.663 -3.073 -9.218 1.00 73.12 C ATOM 693 C LEU A 215 -14.634 -1.977 -8.148 1.00 63.53 C ATOM 694 O LEU A 215 -13.652 -1.240 -8.021 1.00 4.22 O ATOM 695 CB LEU A 215 -14.659 -4.480 -8.593 1.00 11.32 C ATOM 696 CG LEU A 215 -13.789 -4.719 -7.335 1.00 5.51 C ATOM 697 CD1 LEU A 215 -13.623 -6.230 -7.135 1.00 20.01 C ATOM 698 CD2 LEU A 215 -12.402 -4.073 -7.279 1.00 75.40 C ATOM 0 H LEU A 215 -12.950 -3.757 -10.200 1.00 34.21 H new ATOM 0 HA LEU A 215 -15.594 -2.954 -9.773 1.00 73.12 H new ATOM 0 HB2 LEU A 215 -15.688 -4.735 -8.339 1.00 11.32 H new ATOM 0 HB3 LEU A 215 -14.336 -5.184 -9.360 1.00 11.32 H new ATOM 0 HG LEU A 215 -14.344 -4.217 -6.543 1.00 5.51 H new ATOM 0 HD11 LEU A 215 -13.012 -6.415 -6.252 1.00 20.01 H new ATOM 0 HD12 LEU A 215 -14.603 -6.689 -7.001 1.00 20.01 H new ATOM 0 HD13 LEU A 215 -13.137 -6.662 -8.010 1.00 20.01 H new ATOM 0 HD21 LEU A 215 -11.917 -4.333 -6.338 1.00 75.40 H new ATOM 0 HD22 LEU A 215 -11.798 -4.436 -8.111 1.00 75.40 H new ATOM 0 HD23 LEU A 215 -12.502 -2.990 -7.349 1.00 75.40 H new ATOM 710 N GLU A 216 -15.670 -1.936 -7.315 1.00 42.34 N ATOM 711 CA GLU A 216 -15.700 -1.150 -6.097 1.00 21.22 C ATOM 712 C GLU A 216 -16.561 -1.957 -5.114 1.00 61.20 C ATOM 713 O GLU A 216 -17.788 -1.831 -5.088 1.00 11.33 O ATOM 714 CB GLU A 216 -16.273 0.268 -6.363 1.00 25.21 C ATOM 715 CG GLU A 216 -15.382 1.144 -7.271 1.00 54.02 C ATOM 716 CD GLU A 216 -15.760 2.630 -7.275 1.00 1.13 C ATOM 717 OE1 GLU A 216 -15.626 3.294 -6.216 1.00 13.22 O ATOM 718 OE2 GLU A 216 -16.148 3.152 -8.348 1.00 44.35 O1- ATOM 0 H GLU A 216 -16.529 -2.462 -7.477 1.00 42.34 H new ATOM 0 HA GLU A 216 -14.703 -0.981 -5.690 1.00 21.22 H new ATOM 0 HB2 GLU A 216 -17.257 0.171 -6.821 1.00 25.21 H new ATOM 0 HB3 GLU A 216 -16.414 0.777 -5.409 1.00 25.21 H new ATOM 0 HG2 GLU A 216 -14.345 1.045 -6.949 1.00 54.02 H new ATOM 0 HG3 GLU A 216 -15.437 0.764 -8.291 1.00 54.02 H new ATOM 725 N LYS A 217 -15.944 -2.872 -4.364 1.00 71.23 N ATOM 726 CA LYS A 217 -16.576 -3.674 -3.322 1.00 24.12 C ATOM 727 C LYS A 217 -15.551 -3.993 -2.245 1.00 41.53 C ATOM 728 O LYS A 217 -14.530 -4.619 -2.534 1.00 65.12 O ATOM 729 CB LYS A 217 -17.238 -4.922 -3.928 1.00 63.53 C ATOM 730 CG LYS A 217 -16.302 -5.918 -4.630 1.00 33.31 C ATOM 731 CD LYS A 217 -17.048 -6.992 -5.428 1.00 21.23 C ATOM 732 CE LYS A 217 -17.350 -8.228 -4.577 1.00 11.23 C ATOM 733 NZ LYS A 217 -18.289 -9.134 -5.263 1.00 34.23 N1+ ATOM 0 H LYS A 217 -14.951 -3.081 -4.472 1.00 71.23 H new ATOM 0 HA LYS A 217 -17.380 -3.113 -2.846 1.00 24.12 H new ATOM 0 HB2 LYS A 217 -17.764 -5.450 -3.133 1.00 63.53 H new ATOM 0 HB3 LYS A 217 -17.990 -4.595 -4.646 1.00 63.53 H new ATOM 0 HG2 LYS A 217 -15.639 -5.372 -5.301 1.00 33.31 H new ATOM 0 HG3 LYS A 217 -15.672 -6.402 -3.884 1.00 33.31 H new ATOM 0 HD2 LYS A 217 -17.981 -6.578 -5.811 1.00 21.23 H new ATOM 0 HD3 LYS A 217 -16.451 -7.283 -6.292 1.00 21.23 H new ATOM 0 HE2 LYS A 217 -16.423 -8.758 -4.360 1.00 11.23 H new ATOM 0 HE3 LYS A 217 -17.772 -7.919 -3.621 1.00 11.23 H new ATOM 0 HZ1 LYS A 217 -18.474 -9.962 -4.662 1.00 34.23 H new ATOM 0 HZ2 LYS A 217 -19.182 -8.634 -5.448 1.00 34.23 H new ATOM 0 HZ3 LYS A 217 -17.874 -9.446 -6.164 1.00 34.23 H new ATOM 747 N CYS A 218 -15.826 -3.590 -1.005 1.00 72.34 N ATOM 748 CA CYS A 218 -15.031 -3.956 0.156 1.00 52.25 C ATOM 749 C CYS A 218 -15.982 -4.443 1.265 1.00 53.24 C ATOM 750 O CYS A 218 -16.223 -3.730 2.243 1.00 3.44 O ATOM 751 CB CYS A 218 -14.160 -2.753 0.535 1.00 41.44 C ATOM 752 SG CYS A 218 -12.872 -3.255 1.705 1.00 24.22 S ATOM 0 H CYS A 218 -16.620 -2.991 -0.780 1.00 72.34 H new ATOM 0 HA CYS A 218 -14.347 -4.782 -0.038 1.00 52.25 H new ATOM 0 HB2 CYS A 218 -13.703 -2.329 -0.360 1.00 41.44 H new ATOM 0 HB3 CYS A 218 -14.779 -1.972 0.977 1.00 41.44 H new ATOM 0 HG CYS A 218 -13.411 -3.915 2.687 1.00 24.22 H new ATOM 758 N PRO A 219 -16.603 -5.627 1.110 1.00 2.24 N ATOM 759 CA PRO A 219 -17.464 -6.196 2.140 1.00 23.03 C ATOM 760 C PRO A 219 -16.642 -6.671 3.344 1.00 53.55 C ATOM 761 O PRO A 219 -17.128 -6.627 4.473 1.00 51.44 O ATOM 762 CB PRO A 219 -18.212 -7.342 1.458 1.00 13.32 C ATOM 763 CG PRO A 219 -17.268 -7.780 0.340 1.00 34.20 C ATOM 764 CD PRO A 219 -16.605 -6.471 -0.078 1.00 63.34 C ATOM 0 HA PRO A 219 -18.163 -5.463 2.543 1.00 23.03 H new ATOM 0 HB2 PRO A 219 -18.414 -8.157 2.153 1.00 13.32 H new ATOM 0 HB3 PRO A 219 -19.174 -7.013 1.064 1.00 13.32 H new ATOM 0 HG2 PRO A 219 -16.537 -8.509 0.690 1.00 34.20 H new ATOM 0 HG3 PRO A 219 -17.808 -8.242 -0.487 1.00 34.20 H new ATOM 0 HD2 PRO A 219 -15.590 -6.644 -0.436 1.00 63.34 H new ATOM 0 HD3 PRO A 219 -17.154 -5.998 -0.892 1.00 63.34 H new ATOM 772 N PHE A 220 -15.383 -7.060 3.136 1.00 52.33 N ATOM 773 CA PHE A 220 -14.393 -7.248 4.184 1.00 13.33 C ATOM 774 C PHE A 220 -14.027 -5.890 4.794 1.00 31.11 C ATOM 775 O PHE A 220 -14.130 -4.869 4.113 1.00 61.21 O ATOM 776 CB PHE A 220 -13.131 -7.955 3.661 1.00 12.53 C ATOM 777 CG PHE A 220 -12.910 -7.788 2.179 1.00 53.04 C ATOM 778 CD1 PHE A 220 -13.679 -8.575 1.312 1.00 43.24 C ATOM 779 CD2 PHE A 220 -12.078 -6.780 1.673 1.00 11.32 C ATOM 780 CE1 PHE A 220 -13.627 -8.351 -0.074 1.00 24.41 C ATOM 781 CE2 PHE A 220 -12.008 -6.572 0.286 1.00 35.04 C ATOM 782 CZ PHE A 220 -12.784 -7.350 -0.588 1.00 24.35 C ATOM 0 H PHE A 220 -15.019 -7.257 2.204 1.00 52.33 H new ATOM 0 HA PHE A 220 -14.830 -7.889 4.949 1.00 13.33 H new ATOM 0 HB2 PHE A 220 -12.262 -7.569 4.194 1.00 12.53 H new ATOM 0 HB3 PHE A 220 -13.200 -9.018 3.891 1.00 12.53 H new ATOM 0 HD1 PHE A 220 -14.312 -9.354 1.709 1.00 43.24 H new ATOM 0 HD2 PHE A 220 -11.495 -6.168 2.345 1.00 11.32 H new ATOM 0 HE1 PHE A 220 -14.232 -8.946 -0.742 1.00 24.41 H new ATOM 0 HE2 PHE A 220 -11.354 -5.810 -0.111 1.00 35.04 H new ATOM 0 HZ PHE A 220 -12.733 -7.180 -1.653 1.00 24.35 H new ATOM 792 N PRO A 221 -13.541 -5.866 6.040 1.00 52.42 N ATOM 793 CA PRO A 221 -12.811 -4.734 6.584 1.00 64.02 C ATOM 794 C PRO A 221 -11.393 -4.720 5.998 1.00 52.52 C ATOM 795 O PRO A 221 -10.820 -5.776 5.721 1.00 61.24 O ATOM 796 CB PRO A 221 -12.773 -5.000 8.090 1.00 3.32 C ATOM 797 CG PRO A 221 -12.712 -6.528 8.172 1.00 31.34 C ATOM 798 CD PRO A 221 -13.488 -7.002 6.941 1.00 13.23 C ATOM 0 HA PRO A 221 -13.266 -3.771 6.351 1.00 64.02 H new ATOM 0 HB2 PRO A 221 -11.905 -4.536 8.559 1.00 3.32 H new ATOM 0 HB3 PRO A 221 -13.656 -4.604 8.592 1.00 3.32 H new ATOM 0 HG2 PRO A 221 -11.683 -6.887 8.156 1.00 31.34 H new ATOM 0 HG3 PRO A 221 -13.164 -6.896 9.093 1.00 31.34 H new ATOM 0 HD2 PRO A 221 -12.992 -7.851 6.470 1.00 13.23 H new ATOM 0 HD3 PRO A 221 -14.491 -7.330 7.214 1.00 13.23 H new ATOM 806 N ALA A 222 -10.784 -3.543 5.864 1.00 15.10 N ATOM 807 CA ALA A 222 -9.370 -3.434 5.535 1.00 33.50 C ATOM 808 C ALA A 222 -8.539 -4.079 6.644 1.00 45.31 C ATOM 809 O ALA A 222 -8.688 -3.741 7.822 1.00 5.14 O ATOM 810 CB ALA A 222 -8.982 -1.961 5.357 1.00 54.51 C ATOM 0 H ALA A 222 -11.256 -2.646 5.980 1.00 15.10 H new ATOM 0 HA ALA A 222 -9.174 -3.954 4.597 1.00 33.50 H new ATOM 0 HB1 ALA A 222 -7.922 -1.891 5.111 1.00 54.51 H new ATOM 0 HB2 ALA A 222 -9.571 -1.524 4.551 1.00 54.51 H new ATOM 0 HB3 ALA A 222 -9.176 -1.419 6.283 1.00 54.51 H new ATOM 816 N GLY A 223 -7.622 -4.961 6.261 1.00 72.54 N ATOM 817 CA GLY A 223 -6.640 -5.517 7.171 1.00 54.34 C ATOM 818 C GLY A 223 -7.189 -6.699 7.945 1.00 13.20 C ATOM 819 O GLY A 223 -7.013 -6.763 9.163 1.00 13.51 O ATOM 0 H GLY A 223 -7.543 -5.309 5.305 1.00 72.54 H new ATOM 0 HA2 GLY A 223 -5.760 -5.829 6.608 1.00 54.34 H new ATOM 0 HA3 GLY A 223 -6.315 -4.746 7.869 1.00 54.34 H new ATOM 823 N SER A 224 -7.808 -7.636 7.230 1.00 12.10 N ATOM 824 CA SER A 224 -8.026 -9.011 7.664 1.00 32.34 C ATOM 825 C SER A 224 -7.535 -9.966 6.567 1.00 62.33 C ATOM 826 O SER A 224 -7.058 -9.528 5.518 1.00 52.54 O ATOM 827 CB SER A 224 -9.499 -9.228 8.021 1.00 2.20 C ATOM 828 OG SER A 224 -9.851 -8.438 9.134 1.00 61.34 O ATOM 0 H SER A 224 -8.184 -7.451 6.300 1.00 12.10 H new ATOM 0 HA SER A 224 -7.454 -9.219 8.568 1.00 32.34 H new ATOM 0 HB2 SER A 224 -10.129 -8.971 7.169 1.00 2.20 H new ATOM 0 HB3 SER A 224 -9.676 -10.281 8.242 1.00 2.20 H new ATOM 0 HG SER A 224 -10.795 -8.583 9.353 1.00 61.34 H new ATOM 834 N ASP A 225 -7.627 -11.272 6.809 1.00 61.25 N ATOM 835 CA ASP A 225 -7.185 -12.352 5.927 1.00 53.22 C ATOM 836 C ASP A 225 -7.821 -12.241 4.544 1.00 11.51 C ATOM 837 O ASP A 225 -7.126 -12.078 3.543 1.00 20.21 O ATOM 838 CB ASP A 225 -7.553 -13.686 6.586 1.00 65.42 C ATOM 839 CG ASP A 225 -7.098 -14.922 5.814 1.00 1.12 C ATOM 840 OD1 ASP A 225 -6.261 -14.842 4.887 1.00 40.32 O ATOM 841 OD2 ASP A 225 -7.579 -16.017 6.186 1.00 54.24 O1- ATOM 0 H ASP A 225 -8.035 -11.626 7.674 1.00 61.25 H new ATOM 0 HA ASP A 225 -6.106 -12.285 5.784 1.00 53.22 H new ATOM 0 HB2 ASP A 225 -7.116 -13.716 7.584 1.00 65.42 H new ATOM 0 HB3 ASP A 225 -8.635 -13.729 6.710 1.00 65.42 H new ATOM 846 N LEU A 226 -9.156 -12.266 4.476 1.00 65.13 N ATOM 847 CA LEU A 226 -9.849 -12.224 3.191 1.00 13.44 C ATOM 848 C LEU A 226 -9.660 -10.887 2.466 1.00 72.23 C ATOM 849 O LEU A 226 -9.803 -10.824 1.243 1.00 44.25 O ATOM 850 CB LEU A 226 -11.348 -12.519 3.340 1.00 21.33 C ATOM 851 CG LEU A 226 -11.690 -13.905 3.922 1.00 42.04 C ATOM 852 CD1 LEU A 226 -13.199 -14.113 3.795 1.00 2.14 C ATOM 853 CD2 LEU A 226 -10.982 -15.063 3.201 1.00 31.03 C ATOM 0 H LEU A 226 -9.770 -12.315 5.289 1.00 65.13 H new ATOM 0 HA LEU A 226 -9.394 -13.007 2.585 1.00 13.44 H new ATOM 0 HB2 LEU A 226 -11.790 -11.755 3.979 1.00 21.33 H new ATOM 0 HB3 LEU A 226 -11.819 -12.427 2.361 1.00 21.33 H new ATOM 0 HG LEU A 226 -11.351 -13.916 4.958 1.00 42.04 H new ATOM 0 HD11 LEU A 226 -13.467 -15.089 4.201 1.00 2.14 H new ATOM 0 HD12 LEU A 226 -13.722 -13.333 4.349 1.00 2.14 H new ATOM 0 HD13 LEU A 226 -13.486 -14.066 2.744 1.00 2.14 H new ATOM 0 HD21 LEU A 226 -11.268 -16.008 3.662 1.00 31.03 H new ATOM 0 HD22 LEU A 226 -11.272 -15.069 2.150 1.00 31.03 H new ATOM 0 HD23 LEU A 226 -9.902 -14.934 3.278 1.00 31.03 H new ATOM 865 N ALA A 227 -9.344 -9.826 3.208 1.00 33.13 N ATOM 866 CA ALA A 227 -9.048 -8.504 2.681 1.00 31.51 C ATOM 867 C ALA A 227 -7.702 -8.544 1.957 1.00 61.32 C ATOM 868 O ALA A 227 -7.587 -8.168 0.793 1.00 1.22 O ATOM 869 CB ALA A 227 -9.041 -7.513 3.849 1.00 20.11 C ATOM 0 H ALA A 227 -9.286 -9.870 4.225 1.00 33.13 H new ATOM 0 HA ALA A 227 -9.801 -8.185 1.961 1.00 31.51 H new ATOM 0 HB1 ALA A 227 -8.821 -6.513 3.476 1.00 20.11 H new ATOM 0 HB2 ALA A 227 -10.018 -7.513 4.332 1.00 20.11 H new ATOM 0 HB3 ALA A 227 -8.279 -7.807 4.571 1.00 20.11 H new ATOM 875 N GLN A 228 -6.675 -9.068 2.626 1.00 2.11 N ATOM 876 CA GLN A 228 -5.346 -9.299 2.097 1.00 62.54 C ATOM 877 C GLN A 228 -5.417 -10.214 0.866 1.00 60.13 C ATOM 878 O GLN A 228 -4.838 -9.883 -0.168 1.00 43.54 O ATOM 879 CB GLN A 228 -4.541 -9.833 3.288 1.00 74.33 C ATOM 880 CG GLN A 228 -3.134 -10.349 3.029 1.00 13.33 C ATOM 881 CD GLN A 228 -2.465 -10.651 4.372 1.00 64.54 C ATOM 882 OE1 GLN A 228 -1.659 -9.868 4.877 1.00 5.12 O ATOM 883 NE2 GLN A 228 -2.840 -11.732 5.032 1.00 5.01 N ATOM 0 H GLN A 228 -6.760 -9.355 3.601 1.00 2.11 H new ATOM 0 HA GLN A 228 -4.849 -8.409 1.711 1.00 62.54 H new ATOM 0 HB2 GLN A 228 -4.473 -9.036 4.028 1.00 74.33 H new ATOM 0 HB3 GLN A 228 -5.114 -10.641 3.742 1.00 74.33 H new ATOM 0 HG2 GLN A 228 -3.169 -11.248 2.414 1.00 13.33 H new ATOM 0 HG3 GLN A 228 -2.556 -9.608 2.477 1.00 13.33 H new ATOM 0 HE21 GLN A 228 -3.507 -12.380 4.613 1.00 5.01 H new ATOM 0 HE22 GLN A 228 -2.462 -11.919 5.961 1.00 5.01 H new ATOM 892 N LYS A 229 -6.198 -11.300 0.922 1.00 14.24 N ATOM 893 CA LYS A 229 -6.450 -12.184 -0.218 1.00 61.11 C ATOM 894 C LYS A 229 -7.026 -11.452 -1.428 1.00 50.14 C ATOM 895 O LYS A 229 -6.758 -11.876 -2.556 1.00 20.33 O ATOM 896 CB LYS A 229 -7.426 -13.298 0.190 1.00 43.15 C ATOM 897 CG LYS A 229 -6.769 -14.424 1.003 1.00 65.30 C ATOM 898 CD LYS A 229 -6.978 -15.759 0.279 1.00 2.11 C ATOM 899 CE LYS A 229 -6.154 -16.864 0.930 1.00 22.04 C ATOM 900 NZ LYS A 229 -6.053 -18.047 0.057 1.00 4.21 N1+ ATOM 0 H LYS A 229 -6.678 -11.592 1.773 1.00 14.24 H new ATOM 0 HA LYS A 229 -5.483 -12.596 -0.507 1.00 61.11 H new ATOM 0 HB2 LYS A 229 -8.236 -12.863 0.776 1.00 43.15 H new ATOM 0 HB3 LYS A 229 -7.874 -13.723 -0.708 1.00 43.15 H new ATOM 0 HG2 LYS A 229 -5.704 -14.226 1.125 1.00 65.30 H new ATOM 0 HG3 LYS A 229 -7.202 -14.467 2.002 1.00 65.30 H new ATOM 0 HD2 LYS A 229 -8.034 -16.027 0.299 1.00 2.11 H new ATOM 0 HD3 LYS A 229 -6.695 -15.658 -0.769 1.00 2.11 H new ATOM 0 HE2 LYS A 229 -5.155 -16.490 1.155 1.00 22.04 H new ATOM 0 HE3 LYS A 229 -6.609 -17.148 1.879 1.00 22.04 H new ATOM 0 HZ1 LYS A 229 -5.486 -18.780 0.530 1.00 4.21 H new ATOM 0 HZ2 LYS A 229 -7.005 -18.417 -0.137 1.00 4.21 H new ATOM 0 HZ3 LYS A 229 -5.596 -17.780 -0.838 1.00 4.21 H new ATOM 914 N TRP A 230 -7.847 -10.421 -1.227 1.00 13.20 N ATOM 915 CA TRP A 230 -8.394 -9.616 -2.311 1.00 72.33 C ATOM 916 C TRP A 230 -7.342 -8.625 -2.804 1.00 31.00 C ATOM 917 O TRP A 230 -7.093 -8.549 -4.006 1.00 23.12 O ATOM 918 CB TRP A 230 -9.671 -8.910 -1.837 1.00 34.15 C ATOM 919 CG TRP A 230 -10.172 -7.810 -2.720 1.00 61.20 C ATOM 920 CD1 TRP A 230 -10.951 -7.944 -3.815 1.00 14.12 C ATOM 921 CD2 TRP A 230 -9.892 -6.386 -2.604 1.00 53.24 C ATOM 922 NE1 TRP A 230 -11.191 -6.697 -4.363 1.00 24.03 N ATOM 923 CE2 TRP A 230 -10.582 -5.696 -3.636 1.00 13.24 C ATOM 924 CE3 TRP A 230 -9.102 -5.618 -1.732 1.00 35.03 C ATOM 925 CZ2 TRP A 230 -10.505 -4.301 -3.774 1.00 2.33 C ATOM 926 CZ3 TRP A 230 -8.984 -4.226 -1.876 1.00 33.44 C ATOM 927 CH2 TRP A 230 -9.683 -3.569 -2.901 1.00 4.35 C ATOM 0 H TRP A 230 -8.151 -10.122 -0.300 1.00 13.20 H new ATOM 0 HA TRP A 230 -8.661 -10.257 -3.151 1.00 72.33 H new ATOM 0 HB2 TRP A 230 -10.459 -9.656 -1.734 1.00 34.15 H new ATOM 0 HB3 TRP A 230 -9.489 -8.499 -0.844 1.00 34.15 H new ATOM 0 HD1 TRP A 230 -11.328 -8.879 -4.202 1.00 14.12 H new ATOM 0 HE1 TRP A 230 -11.750 -6.537 -5.201 1.00 24.03 H new ATOM 0 HE3 TRP A 230 -8.572 -6.111 -0.930 1.00 35.03 H new ATOM 0 HZ2 TRP A 230 -11.071 -3.796 -4.543 1.00 2.33 H new ATOM 0 HZ3 TRP A 230 -8.357 -3.663 -1.200 1.00 33.44 H new ATOM 0 HH2 TRP A 230 -9.589 -2.500 -3.019 1.00 4.35 H new ATOM 938 N HIS A 231 -6.704 -7.875 -1.902 1.00 41.52 N ATOM 939 CA HIS A 231 -5.743 -6.827 -2.240 1.00 44.11 C ATOM 940 C HIS A 231 -4.521 -7.367 -2.988 1.00 62.42 C ATOM 941 O HIS A 231 -3.905 -6.633 -3.758 1.00 2.10 O ATOM 942 CB HIS A 231 -5.335 -6.093 -0.956 1.00 73.30 C ATOM 943 CG HIS A 231 -4.444 -4.907 -1.212 1.00 1.23 C ATOM 944 ND1 HIS A 231 -3.201 -4.692 -0.660 1.00 54.43 N ATOM 945 CD2 HIS A 231 -4.702 -3.889 -2.089 1.00 54.44 C ATOM 946 CE1 HIS A 231 -2.717 -3.555 -1.191 1.00 44.02 C ATOM 947 NE2 HIS A 231 -3.596 -3.033 -2.071 1.00 72.12 N ATOM 0 H HIS A 231 -6.845 -7.983 -0.898 1.00 41.52 H new ATOM 0 HA HIS A 231 -6.223 -6.128 -2.925 1.00 44.11 H new ATOM 0 HB2 HIS A 231 -6.232 -5.760 -0.434 1.00 73.30 H new ATOM 0 HB3 HIS A 231 -4.821 -6.790 -0.294 1.00 73.30 H new ATOM 0 HD2 HIS A 231 -5.595 -3.769 -2.685 1.00 54.44 H new ATOM 0 HE1 HIS A 231 -1.759 -3.121 -0.947 1.00 44.02 H new ATOM 0 HE2 HIS A 231 -3.477 -2.180 -2.617 1.00 72.12 H new ATOM 955 N LEU A 232 -4.212 -8.654 -2.824 1.00 43.21 N ATOM 956 CA LEU A 232 -3.202 -9.377 -3.590 1.00 54.14 C ATOM 957 C LEU A 232 -3.445 -9.250 -5.092 1.00 63.01 C ATOM 958 O LEU A 232 -2.499 -9.179 -5.876 1.00 33.14 O ATOM 959 CB LEU A 232 -3.272 -10.864 -3.198 1.00 63.34 C ATOM 960 CG LEU A 232 -1.880 -11.516 -3.065 1.00 62.14 C ATOM 961 CD1 LEU A 232 -1.761 -12.254 -1.727 1.00 23.25 C ATOM 962 CD2 LEU A 232 -1.633 -12.494 -4.216 1.00 64.32 C ATOM 0 H LEU A 232 -4.675 -9.240 -2.130 1.00 43.21 H new ATOM 0 HA LEU A 232 -2.223 -8.954 -3.367 1.00 54.14 H new ATOM 0 HB2 LEU A 232 -3.805 -10.960 -2.252 1.00 63.34 H new ATOM 0 HB3 LEU A 232 -3.851 -11.405 -3.946 1.00 63.34 H new ATOM 0 HG LEU A 232 -1.130 -10.726 -3.104 1.00 62.14 H new ATOM 0 HD11 LEU A 232 -0.773 -12.708 -1.649 1.00 23.25 H new ATOM 0 HD12 LEU A 232 -1.902 -11.548 -0.908 1.00 23.25 H new ATOM 0 HD13 LEU A 232 -2.523 -13.031 -1.671 1.00 23.25 H new ATOM 0 HD21 LEU A 232 -0.646 -12.944 -4.106 1.00 64.32 H new ATOM 0 HD22 LEU A 232 -2.393 -13.276 -4.199 1.00 64.32 H new ATOM 0 HD23 LEU A 232 -1.684 -11.960 -5.165 1.00 64.32 H new ATOM 974 N ILE A 233 -4.717 -9.287 -5.489 1.00 20.31 N ATOM 975 CA ILE A 233 -5.160 -9.271 -6.883 1.00 12.23 C ATOM 976 C ILE A 233 -5.057 -7.853 -7.458 1.00 33.40 C ATOM 977 O ILE A 233 -4.570 -7.693 -8.571 1.00 73.01 O ATOM 978 CB ILE A 233 -6.587 -9.857 -7.003 1.00 31.24 C ATOM 979 CG1 ILE A 233 -6.611 -11.314 -6.485 1.00 41.21 C ATOM 980 CG2 ILE A 233 -7.104 -9.795 -8.451 1.00 11.11 C ATOM 981 CD1 ILE A 233 -8.026 -11.865 -6.301 1.00 1.50 C ATOM 0 H ILE A 233 -5.492 -9.330 -4.828 1.00 20.31 H new ATOM 0 HA ILE A 233 -4.504 -9.907 -7.478 1.00 12.23 H new ATOM 0 HB ILE A 233 -7.251 -9.249 -6.388 1.00 31.24 H new ATOM 0 HG12 ILE A 233 -6.068 -11.950 -7.184 1.00 41.21 H new ATOM 0 HG13 ILE A 233 -6.082 -11.363 -5.533 1.00 41.21 H new ATOM 0 HG21 ILE A 233 -8.109 -10.215 -8.497 1.00 11.11 H new ATOM 0 HG22 ILE A 233 -7.129 -8.758 -8.784 1.00 11.11 H new ATOM 0 HG23 ILE A 233 -6.441 -10.368 -9.099 1.00 11.11 H new ATOM 0 HD11 ILE A 233 -7.972 -12.891 -5.936 1.00 1.50 H new ATOM 0 HD12 ILE A 233 -8.565 -11.251 -5.580 1.00 1.50 H new ATOM 0 HD13 ILE A 233 -8.551 -11.847 -7.256 1.00 1.50 H new ATOM 993 N LYS A 234 -5.497 -6.829 -6.720 1.00 35.12 N ATOM 994 CA LYS A 234 -5.518 -5.410 -7.089 1.00 65.43 C ATOM 995 C LYS A 234 -6.055 -5.150 -8.506 1.00 71.04 C ATOM 996 O LYS A 234 -5.354 -5.237 -9.517 1.00 11.24 O ATOM 997 CB LYS A 234 -4.161 -4.777 -6.783 1.00 41.01 C ATOM 998 CG LYS A 234 -4.227 -3.242 -6.868 1.00 40.11 C ATOM 999 CD LYS A 234 -2.835 -2.611 -6.833 1.00 52.01 C ATOM 1000 CE LYS A 234 -2.127 -2.825 -8.175 1.00 24.13 C ATOM 1001 NZ LYS A 234 -0.665 -2.845 -8.012 1.00 64.53 N1+ ATOM 0 H LYS A 234 -5.874 -6.980 -5.784 1.00 35.12 H new ATOM 0 HA LYS A 234 -6.252 -4.900 -6.465 1.00 65.43 H new ATOM 0 HB2 LYS A 234 -3.835 -5.074 -5.786 1.00 41.01 H new ATOM 0 HB3 LYS A 234 -3.416 -5.150 -7.486 1.00 41.01 H new ATOM 0 HG2 LYS A 234 -4.735 -2.950 -7.787 1.00 40.11 H new ATOM 0 HG3 LYS A 234 -4.821 -2.857 -6.039 1.00 40.11 H new ATOM 0 HD2 LYS A 234 -2.916 -1.545 -6.621 1.00 52.01 H new ATOM 0 HD3 LYS A 234 -2.247 -3.052 -6.028 1.00 52.01 H new ATOM 0 HE2 LYS A 234 -2.458 -3.764 -8.617 1.00 24.13 H new ATOM 0 HE3 LYS A 234 -2.407 -2.031 -8.867 1.00 24.13 H new ATOM 0 HZ1 LYS A 234 -0.214 -2.992 -8.938 1.00 64.53 H new ATOM 0 HZ2 LYS A 234 -0.348 -1.939 -7.612 1.00 64.53 H new ATOM 0 HZ3 LYS A 234 -0.398 -3.619 -7.371 1.00 64.53 H new ATOM 1015 N GLN A 235 -7.327 -4.774 -8.577 1.00 72.02 N ATOM 1016 CA GLN A 235 -8.221 -4.663 -9.720 1.00 11.35 C ATOM 1017 C GLN A 235 -8.509 -5.987 -10.413 1.00 33.24 C ATOM 1018 O GLN A 235 -9.675 -6.337 -10.573 1.00 30.21 O ATOM 1019 CB GLN A 235 -7.803 -3.561 -10.709 1.00 22.32 C ATOM 1020 CG GLN A 235 -8.160 -2.131 -10.274 1.00 50.13 C ATOM 1021 CD GLN A 235 -7.275 -1.530 -9.185 1.00 24.00 C ATOM 1022 OE1 GLN A 235 -7.751 -1.131 -8.129 1.00 23.03 O ATOM 1023 NE2 GLN A 235 -5.982 -1.396 -9.407 1.00 43.20 N ATOM 0 H GLN A 235 -7.816 -4.506 -7.723 1.00 72.02 H new ATOM 0 HA GLN A 235 -9.173 -4.349 -9.293 1.00 11.35 H new ATOM 0 HB2 GLN A 235 -6.725 -3.620 -10.862 1.00 22.32 H new ATOM 0 HB3 GLN A 235 -8.273 -3.760 -11.672 1.00 22.32 H new ATOM 0 HG2 GLN A 235 -8.117 -1.483 -11.150 1.00 50.13 H new ATOM 0 HG3 GLN A 235 -9.192 -2.125 -9.923 1.00 50.13 H new ATOM 0 HE21 GLN A 235 -5.578 -1.726 -10.284 1.00 43.20 H new ATOM 0 HE22 GLN A 235 -5.386 -0.963 -8.702 1.00 43.20 H new ATOM 1032 N HIS A 236 -7.479 -6.694 -10.841 1.00 22.23 N ATOM 1033 CA HIS A 236 -7.611 -7.872 -11.706 1.00 73.33 C ATOM 1034 C HIS A 236 -6.376 -8.770 -11.698 1.00 63.54 C ATOM 1035 O HIS A 236 -6.521 -9.980 -11.880 1.00 34.42 O ATOM 1036 CB HIS A 236 -7.887 -7.385 -13.143 1.00 2.44 C ATOM 1037 CG HIS A 236 -8.060 -8.431 -14.227 1.00 4.45 C ATOM 1038 ND1 HIS A 236 -7.809 -8.210 -15.560 1.00 31.54 N ATOM 1039 CD2 HIS A 236 -8.630 -9.675 -14.129 1.00 72.22 C ATOM 1040 CE1 HIS A 236 -8.252 -9.266 -16.252 1.00 31.30 C ATOM 1041 NE2 HIS A 236 -8.700 -10.222 -15.421 1.00 63.23 N ATOM 0 H HIS A 236 -6.513 -6.471 -10.600 1.00 22.23 H new ATOM 0 HA HIS A 236 -8.432 -8.477 -11.321 1.00 73.33 H new ATOM 0 HB2 HIS A 236 -8.789 -6.774 -13.121 1.00 2.44 H new ATOM 0 HB3 HIS A 236 -7.066 -6.731 -13.438 1.00 2.44 H new ATOM 0 HD2 HIS A 236 -8.966 -10.150 -13.219 1.00 72.22 H new ATOM 0 HE1 HIS A 236 -8.250 -9.340 -17.329 1.00 31.30 H new ATOM 0 HE2 HIS A 236 -9.025 -11.155 -15.676 1.00 63.23 H new ATOM 1049 N THR A 237 -5.188 -8.195 -11.518 1.00 74.12 N ATOM 1050 CA THR A 237 -3.906 -8.826 -11.788 1.00 64.12 C ATOM 1051 C THR A 237 -3.716 -10.120 -10.982 1.00 22.14 C ATOM 1052 O THR A 237 -3.534 -10.076 -9.766 1.00 63.42 O ATOM 1053 CB THR A 237 -2.790 -7.779 -11.581 1.00 1.11 C ATOM 1054 OG1 THR A 237 -3.062 -6.848 -10.547 1.00 61.40 O ATOM 1055 CG2 THR A 237 -2.660 -6.904 -12.826 1.00 50.03 C ATOM 0 H THR A 237 -5.093 -7.242 -11.167 1.00 74.12 H new ATOM 0 HA THR A 237 -3.863 -9.157 -12.826 1.00 64.12 H new ATOM 0 HB THR A 237 -1.904 -8.368 -11.346 1.00 1.11 H new ATOM 0 HG1 THR A 237 -3.563 -7.291 -9.831 1.00 61.40 H new ATOM 0 HG21 THR A 237 -1.871 -6.168 -12.673 1.00 50.03 H new ATOM 0 HG22 THR A 237 -2.412 -7.528 -13.685 1.00 50.03 H new ATOM 0 HG23 THR A 237 -3.604 -6.391 -13.010 1.00 50.03 H new ATOM 1063 N ALA A 238 -3.795 -11.283 -11.634 1.00 64.25 N ATOM 1064 CA ALA A 238 -3.623 -12.577 -10.986 1.00 34.41 C ATOM 1065 C ALA A 238 -3.251 -13.648 -12.021 1.00 70.53 C ATOM 1066 O ALA A 238 -4.120 -14.438 -12.406 1.00 41.40 O ATOM 1067 CB ALA A 238 -4.909 -12.951 -10.230 1.00 14.52 C ATOM 0 H ALA A 238 -3.982 -11.349 -12.635 1.00 64.25 H new ATOM 0 HA ALA A 238 -2.806 -12.516 -10.267 1.00 34.41 H new ATOM 0 HB1 ALA A 238 -4.778 -13.919 -9.746 1.00 14.52 H new ATOM 0 HB2 ALA A 238 -5.121 -12.194 -9.475 1.00 14.52 H new ATOM 0 HB3 ALA A 238 -5.741 -13.006 -10.932 1.00 14.52 H new ATOM 1073 N PRO A 239 -1.981 -13.740 -12.457 1.00 61.40 N ATOM 1074 CA PRO A 239 -1.499 -14.822 -13.307 1.00 14.44 C ATOM 1075 C PRO A 239 -1.314 -16.094 -12.459 1.00 74.14 C ATOM 1076 O PRO A 239 -0.188 -16.510 -12.189 1.00 42.52 O ATOM 1077 CB PRO A 239 -0.197 -14.283 -13.917 1.00 51.21 C ATOM 1078 CG PRO A 239 0.365 -13.399 -12.804 1.00 20.31 C ATOM 1079 CD PRO A 239 -0.892 -12.826 -12.147 1.00 1.53 C ATOM 0 HA PRO A 239 -2.187 -15.110 -14.102 1.00 14.44 H new ATOM 0 HB2 PRO A 239 0.490 -15.088 -14.178 1.00 51.21 H new ATOM 0 HB3 PRO A 239 -0.383 -13.715 -14.828 1.00 51.21 H new ATOM 0 HG2 PRO A 239 0.963 -13.973 -12.097 1.00 20.31 H new ATOM 0 HG3 PRO A 239 1.007 -12.612 -13.200 1.00 20.31 H new ATOM 0 HD2 PRO A 239 -0.758 -12.736 -11.069 1.00 1.53 H new ATOM 0 HD3 PRO A 239 -1.106 -11.827 -12.527 1.00 1.53 H new ATOM 1087 N VAL A 240 -2.422 -16.667 -11.981 1.00 55.30 N ATOM 1088 CA VAL A 240 -2.528 -17.857 -11.128 1.00 73.31 C ATOM 1089 C VAL A 240 -1.533 -17.875 -9.946 1.00 73.24 C ATOM 1090 O VAL A 240 -1.120 -18.942 -9.483 1.00 4.41 O ATOM 1091 CB VAL A 240 -2.563 -19.145 -11.990 1.00 1.54 C ATOM 1092 CG1 VAL A 240 -3.715 -19.087 -13.006 1.00 2.11 C ATOM 1093 CG2 VAL A 240 -1.271 -19.450 -12.763 1.00 62.34 C ATOM 0 H VAL A 240 -3.341 -16.281 -12.197 1.00 55.30 H new ATOM 0 HA VAL A 240 -3.488 -17.813 -10.613 1.00 73.31 H new ATOM 0 HB VAL A 240 -2.699 -19.946 -11.263 1.00 1.54 H new ATOM 0 HG11 VAL A 240 -3.722 -20.000 -13.601 1.00 2.11 H new ATOM 0 HG12 VAL A 240 -4.663 -18.992 -12.476 1.00 2.11 H new ATOM 0 HG13 VAL A 240 -3.578 -18.228 -13.662 1.00 2.11 H new ATOM 0 HG21 VAL A 240 -1.397 -20.370 -13.334 1.00 62.34 H new ATOM 0 HG22 VAL A 240 -1.051 -18.627 -13.444 1.00 62.34 H new ATOM 0 HG23 VAL A 240 -0.446 -19.570 -12.060 1.00 62.34 H new ATOM 1103 N SER A 241 -1.164 -16.703 -9.424 1.00 23.54 N ATOM 1104 CA SER A 241 -0.061 -16.499 -8.492 1.00 33.20 C ATOM 1105 C SER A 241 -0.590 -15.922 -7.170 1.00 22.33 C ATOM 1106 O SER A 241 -0.595 -14.702 -6.993 1.00 4.10 O ATOM 1107 CB SER A 241 0.966 -15.604 -9.207 1.00 73.01 C ATOM 1108 OG SER A 241 2.120 -15.366 -8.433 1.00 42.03 O ATOM 0 H SER A 241 -1.649 -15.835 -9.651 1.00 23.54 H new ATOM 0 HA SER A 241 0.433 -17.430 -8.215 1.00 33.20 H new ATOM 0 HB2 SER A 241 1.256 -16.072 -10.148 1.00 73.01 H new ATOM 0 HB3 SER A 241 0.499 -14.651 -9.456 1.00 73.01 H new ATOM 0 HG SER A 241 2.738 -14.795 -8.935 1.00 42.03 H new ATOM 1114 N PRO A 242 -1.121 -16.742 -6.247 1.00 54.33 N ATOM 1115 CA PRO A 242 -1.445 -16.290 -4.901 1.00 33.53 C ATOM 1116 C PRO A 242 -0.192 -16.255 -4.011 1.00 62.22 C ATOM 1117 O PRO A 242 0.768 -16.991 -4.252 1.00 3.45 O ATOM 1118 CB PRO A 242 -2.478 -17.293 -4.393 1.00 40.15 C ATOM 1119 CG PRO A 242 -2.118 -18.589 -5.110 1.00 23.42 C ATOM 1120 CD PRO A 242 -1.506 -18.130 -6.433 1.00 33.01 C ATOM 0 HA PRO A 242 -1.834 -15.272 -4.887 1.00 33.53 H new ATOM 0 HB2 PRO A 242 -2.424 -17.408 -3.310 1.00 40.15 H new ATOM 0 HB3 PRO A 242 -3.493 -16.975 -4.630 1.00 40.15 H new ATOM 0 HG2 PRO A 242 -1.412 -19.182 -4.529 1.00 23.42 H new ATOM 0 HG3 PRO A 242 -2.998 -19.211 -5.273 1.00 23.42 H new ATOM 0 HD2 PRO A 242 -0.642 -18.741 -6.694 1.00 33.01 H new ATOM 0 HD3 PRO A 242 -2.224 -18.228 -7.248 1.00 33.01 H new ATOM 1128 N HIS A 243 -0.271 -15.492 -2.919 1.00 45.13 N ATOM 1129 CA HIS A 243 0.781 -15.146 -1.964 1.00 20.32 C ATOM 1130 C HIS A 243 1.929 -14.317 -2.558 1.00 25.15 C ATOM 1131 O HIS A 243 2.338 -14.476 -3.711 1.00 54.22 O ATOM 1132 CB HIS A 243 1.314 -16.366 -1.195 1.00 51.05 C ATOM 1133 CG HIS A 243 0.318 -16.993 -0.252 1.00 23.30 C ATOM 1134 ND1 HIS A 243 -0.299 -18.212 -0.416 1.00 43.14 N ATOM 1135 CD2 HIS A 243 -0.076 -16.491 0.961 1.00 22.02 C ATOM 1136 CE1 HIS A 243 -1.034 -18.445 0.685 1.00 63.04 C ATOM 1137 NE2 HIS A 243 -0.953 -17.411 1.540 1.00 1.40 N ATOM 0 H HIS A 243 -1.157 -15.061 -2.657 1.00 45.13 H new ATOM 0 HA HIS A 243 0.283 -14.494 -1.246 1.00 20.32 H new ATOM 0 HB2 HIS A 243 1.640 -17.119 -1.913 1.00 51.05 H new ATOM 0 HB3 HIS A 243 2.194 -16.066 -0.627 1.00 51.05 H new ATOM 0 HD2 HIS A 243 0.236 -15.551 1.392 1.00 22.02 H new ATOM 0 HE1 HIS A 243 -1.611 -19.341 0.859 1.00 63.04 H new ATOM 0 HE2 HIS A 243 -1.436 -17.317 2.434 1.00 1.40 H new ATOM 1145 N SER A 244 2.460 -13.447 -1.702 1.00 53.22 N ATOM 1146 CA SER A 244 3.725 -12.736 -1.740 1.00 22.22 C ATOM 1147 C SER A 244 4.178 -12.806 -0.293 1.00 53.24 C ATOM 1148 O SER A 244 3.520 -12.134 0.533 1.00 34.02 O ATOM 1149 CB SER A 244 3.516 -11.286 -2.211 1.00 24.31 C ATOM 1150 OG SER A 244 4.502 -10.959 -3.166 1.00 51.22 O ATOM 0 H SER A 244 1.942 -13.196 -0.860 1.00 53.22 H new ATOM 0 HA SER A 244 4.455 -13.154 -2.433 1.00 22.22 H new ATOM 0 HB2 SER A 244 2.522 -11.172 -2.644 1.00 24.31 H new ATOM 0 HB3 SER A 244 3.575 -10.604 -1.363 1.00 24.31 H new ATOM 0 HG SER A 244 4.370 -10.036 -3.469 1.00 51.22 H new TER 1156 SER A 244