USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 THR OG1 : rot 30:sc= 0.0359 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot -122:sc= 0.161 USER MOD Single : A 20 ASN : amide:sc= -0.272 K(o=-0.27,f=-3.3!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 30 ASN : amide:sc= -0.0647 X(o=-0.065,f=-0.099) USER MOD Single : A 33 TYR OH : rot 80:sc= -0.796 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 48:sc= 0.219 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.0491 K(o=-0.049,f=-0.64) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.316 F(o=-1.1,f=-0.32) USER MOD Single : A 50 ASN :FLIP amide:sc=-0.00981 F(o=-0.65,f=-0.0098) USER MOD Single : A 52 HIS : no HD1:sc= -0.326 K(o=-0.33,f=-1.1) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 102:sc= 2.75 USER MOD Single : A 59 SER OG : rot 92:sc= 0.591 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00311) USER MOD ----------------------------------------------------------------- ATOM 103 N THR A 9 16.761 1.030 -10.106 1.00 31.31 N ATOM 104 CA THR A 9 18.137 1.472 -9.918 1.00 32.00 C ATOM 105 C THR A 9 18.191 2.791 -9.155 1.00 60.24 C ATOM 106 O THR A 9 17.329 3.653 -9.324 1.00 34.01 O ATOM 107 CB THR A 9 18.861 1.642 -11.267 1.00 25.35 C ATOM 108 OG1 THR A 9 18.910 0.388 -11.958 1.00 3.54 O ATOM 109 CG2 THR A 9 20.274 2.168 -11.059 1.00 72.25 C ATOM 0 HA THR A 9 18.641 0.699 -9.338 1.00 32.00 H new ATOM 0 HB THR A 9 18.305 2.364 -11.865 1.00 25.35 H new ATOM 0 HG1 THR A 9 18.131 -0.153 -11.711 1.00 3.54 H new ATOM 0 HG21 THR A 9 20.766 2.280 -12.025 1.00 72.25 H new ATOM 0 HG22 THR A 9 20.232 3.135 -10.558 1.00 72.25 H new ATOM 0 HG23 THR A 9 20.837 1.466 -10.444 1.00 72.25 H new ATOM 117 N VAL A 10 19.211 2.942 -8.316 1.00 15.11 N ATOM 118 CA VAL A 10 19.378 4.158 -7.528 1.00 63.52 C ATOM 119 C VAL A 10 20.666 4.883 -7.904 1.00 33.51 C ATOM 120 O VAL A 10 21.618 4.269 -8.386 1.00 4.43 O ATOM 121 CB VAL A 10 19.397 3.850 -6.019 1.00 53.20 C ATOM 122 CG1 VAL A 10 19.271 5.133 -5.211 1.00 62.12 C ATOM 123 CG2 VAL A 10 18.286 2.874 -5.661 1.00 4.11 C ATOM 0 H VAL A 10 19.934 2.238 -8.164 1.00 15.11 H new ATOM 0 HA VAL A 10 18.525 4.799 -7.750 1.00 63.52 H new ATOM 0 HB VAL A 10 20.352 3.385 -5.772 1.00 53.20 H new ATOM 0 HG11 VAL A 10 19.286 4.896 -4.147 1.00 62.12 H new ATOM 0 HG12 VAL A 10 20.104 5.795 -5.447 1.00 62.12 H new ATOM 0 HG13 VAL A 10 18.332 5.628 -5.459 1.00 62.12 H new ATOM 0 HG21 VAL A 10 18.314 2.667 -4.591 1.00 4.11 H new ATOM 0 HG22 VAL A 10 17.321 3.309 -5.921 1.00 4.11 H new ATOM 0 HG23 VAL A 10 18.426 1.945 -6.214 1.00 4.11 H new ATOM 133 N VAL A 11 20.688 6.193 -7.680 1.00 32.44 N ATOM 134 CA VAL A 11 21.859 7.002 -7.993 1.00 1.21 C ATOM 135 C VAL A 11 22.286 7.839 -6.792 1.00 62.30 C ATOM 136 O VAL A 11 21.450 8.290 -6.008 1.00 63.33 O ATOM 137 CB VAL A 11 21.592 7.937 -9.187 1.00 51.42 C ATOM 138 CG1 VAL A 11 21.274 7.131 -10.437 1.00 31.52 C ATOM 139 CG2 VAL A 11 20.462 8.903 -8.864 1.00 50.54 C ATOM 0 H VAL A 11 19.908 6.716 -7.283 1.00 32.44 H new ATOM 0 HA VAL A 11 22.660 6.311 -8.254 1.00 1.21 H new ATOM 0 HB VAL A 11 22.494 8.519 -9.379 1.00 51.42 H new ATOM 0 HG11 VAL A 11 21.088 7.809 -11.270 1.00 31.52 H new ATOM 0 HG12 VAL A 11 22.118 6.484 -10.677 1.00 31.52 H new ATOM 0 HG13 VAL A 11 20.388 6.521 -10.261 1.00 31.52 H new ATOM 0 HG21 VAL A 11 20.286 9.556 -9.719 1.00 50.54 H new ATOM 0 HG22 VAL A 11 19.554 8.341 -8.645 1.00 50.54 H new ATOM 0 HG23 VAL A 11 20.734 9.505 -7.997 1.00 50.54 H new ATOM 149 N ILE A 12 23.592 8.042 -6.654 1.00 51.42 N ATOM 150 CA ILE A 12 24.130 8.826 -5.549 1.00 52.44 C ATOM 151 C ILE A 12 24.627 10.186 -6.030 1.00 75.54 C ATOM 152 O ILE A 12 25.319 10.282 -7.043 1.00 72.33 O ATOM 153 CB ILE A 12 25.285 8.090 -4.846 1.00 61.42 C ATOM 154 CG1 ILE A 12 25.012 6.585 -4.810 1.00 32.45 C ATOM 155 CG2 ILE A 12 25.481 8.632 -3.438 1.00 54.55 C ATOM 156 CD1 ILE A 12 26.075 5.795 -4.079 1.00 64.02 C ATOM 0 H ILE A 12 24.297 7.675 -7.293 1.00 51.42 H new ATOM 0 HA ILE A 12 23.316 8.969 -4.839 1.00 52.44 H new ATOM 0 HB ILE A 12 26.202 8.261 -5.410 1.00 61.42 H new ATOM 0 HG12 ILE A 12 24.048 6.410 -4.332 1.00 32.45 H new ATOM 0 HG13 ILE A 12 24.933 6.214 -5.832 1.00 32.45 H new ATOM 0 HG21 ILE A 12 26.301 8.101 -2.955 1.00 54.55 H new ATOM 0 HG22 ILE A 12 25.716 9.695 -3.487 1.00 54.55 H new ATOM 0 HG23 ILE A 12 24.567 8.488 -2.862 1.00 54.55 H new ATOM 0 HD11 ILE A 12 25.816 4.736 -4.093 1.00 64.02 H new ATOM 0 HD12 ILE A 12 27.038 5.940 -4.570 1.00 64.02 H new ATOM 0 HD13 ILE A 12 26.139 6.139 -3.047 1.00 64.02 H new ATOM 168 N ALA A 13 24.269 11.234 -5.296 1.00 24.22 N ATOM 169 CA ALA A 13 24.682 12.588 -5.645 1.00 20.51 C ATOM 170 C ALA A 13 26.146 12.824 -5.291 1.00 23.33 C ATOM 171 O ALA A 13 26.574 12.562 -4.165 1.00 74.25 O ATOM 172 CB ALA A 13 23.796 13.607 -4.944 1.00 23.33 C ATOM 0 H ALA A 13 23.694 11.172 -4.456 1.00 24.22 H new ATOM 0 HA ALA A 13 24.573 12.708 -6.723 1.00 20.51 H new ATOM 0 HB1 ALA A 13 24.116 14.614 -5.214 1.00 23.33 H new ATOM 0 HB2 ALA A 13 22.760 13.461 -5.251 1.00 23.33 H new ATOM 0 HB3 ALA A 13 23.876 13.478 -3.865 1.00 23.33 H new ATOM 178 N LEU A 14 26.911 13.319 -6.257 1.00 43.20 N ATOM 179 CA LEU A 14 28.329 13.590 -6.047 1.00 43.42 C ATOM 180 C LEU A 14 28.544 15.018 -5.555 1.00 13.01 C ATOM 181 O LEU A 14 29.487 15.295 -4.814 1.00 65.02 O ATOM 182 CB LEU A 14 29.109 13.363 -7.343 1.00 44.23 C ATOM 183 CG LEU A 14 28.649 12.188 -8.207 1.00 0.14 C ATOM 184 CD1 LEU A 14 29.581 12.000 -9.393 1.00 41.35 C ATOM 185 CD2 LEU A 14 28.575 10.914 -7.378 1.00 11.14 C ATOM 0 H LEU A 14 26.574 13.541 -7.194 1.00 43.20 H new ATOM 0 HA LEU A 14 28.695 12.903 -5.284 1.00 43.42 H new ATOM 0 HB2 LEU A 14 29.052 14.272 -7.942 1.00 44.23 H new ATOM 0 HB3 LEU A 14 30.159 13.213 -7.090 1.00 44.23 H new ATOM 0 HG LEU A 14 27.652 12.410 -8.587 1.00 0.14 H new ATOM 0 HD11 LEU A 14 29.238 11.159 -9.996 1.00 41.35 H new ATOM 0 HD12 LEU A 14 29.584 12.905 -10.000 1.00 41.35 H new ATOM 0 HD13 LEU A 14 30.591 11.800 -9.034 1.00 41.35 H new ATOM 0 HD21 LEU A 14 28.246 10.088 -8.009 1.00 11.14 H new ATOM 0 HD22 LEU A 14 29.560 10.688 -6.969 1.00 11.14 H new ATOM 0 HD23 LEU A 14 27.866 11.052 -6.562 1.00 11.14 H new ATOM 197 N TYR A 15 27.661 15.920 -5.969 1.00 71.13 N ATOM 198 CA TYR A 15 27.753 17.319 -5.571 1.00 4.44 C ATOM 199 C TYR A 15 26.367 17.945 -5.452 1.00 70.13 C ATOM 200 O TYR A 15 25.423 17.521 -6.119 1.00 62.43 O ATOM 201 CB TYR A 15 28.595 18.104 -6.579 1.00 32.03 C ATOM 202 CG TYR A 15 29.909 17.438 -6.919 1.00 73.23 C ATOM 203 CD1 TYR A 15 31.025 17.603 -6.109 1.00 32.14 C ATOM 204 CD2 TYR A 15 30.034 16.642 -8.052 1.00 15.23 C ATOM 205 CE1 TYR A 15 32.227 16.997 -6.417 1.00 23.34 C ATOM 206 CE2 TYR A 15 31.232 16.031 -8.367 1.00 33.13 C ATOM 207 CZ TYR A 15 32.326 16.212 -7.546 1.00 73.44 C ATOM 208 OH TYR A 15 33.521 15.605 -7.856 1.00 24.11 O ATOM 0 H TYR A 15 26.873 15.707 -6.580 1.00 71.13 H new ATOM 0 HA TYR A 15 28.235 17.361 -4.594 1.00 4.44 H new ATOM 0 HB2 TYR A 15 28.018 18.239 -7.494 1.00 32.03 H new ATOM 0 HB3 TYR A 15 28.794 19.098 -6.178 1.00 32.03 H new ATOM 0 HD1 TYR A 15 30.951 18.216 -5.223 1.00 32.14 H new ATOM 0 HD2 TYR A 15 29.180 16.499 -8.697 1.00 15.23 H new ATOM 0 HE1 TYR A 15 33.085 17.137 -5.777 1.00 23.34 H new ATOM 0 HE2 TYR A 15 31.312 15.415 -9.251 1.00 33.13 H new ATOM 0 HH TYR A 15 33.420 15.087 -8.682 1.00 24.11 H new ATOM 218 N ASP A 16 26.253 18.957 -4.599 1.00 72.31 N ATOM 219 CA ASP A 16 24.983 19.644 -4.393 1.00 71.41 C ATOM 220 C ASP A 16 24.558 20.389 -5.654 1.00 54.22 C ATOM 221 O ASP A 16 25.062 21.473 -5.946 1.00 45.55 O ATOM 222 CB ASP A 16 25.091 20.620 -3.221 1.00 31.45 C ATOM 223 CG ASP A 16 23.920 21.581 -3.158 1.00 21.35 C ATOM 224 OD1 ASP A 16 22.800 21.175 -3.531 1.00 13.33 O ATOM 225 OD2 ASP A 16 24.124 22.739 -2.736 1.00 25.51 O ATOM 0 H ASP A 16 27.024 19.320 -4.039 1.00 72.31 H new ATOM 0 HA ASP A 16 24.226 18.895 -4.163 1.00 71.41 H new ATOM 0 HB2 ASP A 16 25.147 20.059 -2.288 1.00 31.45 H new ATOM 0 HB3 ASP A 16 26.018 21.187 -3.308 1.00 31.45 H new ATOM 230 N TYR A 17 23.628 19.801 -6.398 1.00 34.41 N ATOM 231 CA TYR A 17 23.137 20.407 -7.630 1.00 10.34 C ATOM 232 C TYR A 17 21.961 21.338 -7.348 1.00 23.12 C ATOM 233 O TYR A 17 21.179 21.105 -6.427 1.00 71.21 O ATOM 234 CB TYR A 17 22.717 19.324 -8.624 1.00 62.15 C ATOM 235 CG TYR A 17 22.019 19.866 -9.851 1.00 71.02 C ATOM 236 CD1 TYR A 17 22.730 20.536 -10.840 1.00 35.32 C ATOM 237 CD2 TYR A 17 20.649 19.709 -10.021 1.00 50.52 C ATOM 238 CE1 TYR A 17 22.096 21.033 -11.962 1.00 51.30 C ATOM 239 CE2 TYR A 17 20.007 20.202 -11.141 1.00 3.52 C ATOM 240 CZ TYR A 17 20.735 20.864 -12.108 1.00 71.22 C ATOM 241 OH TYR A 17 20.099 21.358 -13.224 1.00 61.42 O ATOM 0 H TYR A 17 23.199 18.905 -6.169 1.00 34.41 H new ATOM 0 HA TYR A 17 23.946 20.994 -8.064 1.00 10.34 H new ATOM 0 HB2 TYR A 17 23.600 18.766 -8.935 1.00 62.15 H new ATOM 0 HB3 TYR A 17 22.055 18.619 -8.122 1.00 62.15 H new ATOM 0 HD1 TYR A 17 23.796 20.670 -10.729 1.00 35.32 H new ATOM 0 HD2 TYR A 17 20.076 19.193 -9.265 1.00 50.52 H new ATOM 0 HE1 TYR A 17 22.663 21.551 -12.721 1.00 51.30 H new ATOM 0 HE2 TYR A 17 18.942 20.070 -11.259 1.00 3.52 H new ATOM 0 HH TYR A 17 19.142 21.153 -13.173 1.00 61.42 H new ATOM 251 N GLN A 18 21.845 22.392 -8.148 1.00 52.45 N ATOM 252 CA GLN A 18 20.765 23.359 -7.986 1.00 21.32 C ATOM 253 C GLN A 18 20.170 23.743 -9.337 1.00 22.24 C ATOM 254 O GLN A 18 20.893 24.107 -10.265 1.00 31.10 O ATOM 255 CB GLN A 18 21.275 24.608 -7.266 1.00 11.41 C ATOM 256 CG GLN A 18 21.254 24.488 -5.751 1.00 4.44 C ATOM 257 CD GLN A 18 21.619 25.786 -5.057 1.00 53.54 C ATOM 258 OE1 GLN A 18 20.746 26.534 -4.615 1.00 73.30 O ATOM 259 NE2 GLN A 18 22.914 26.062 -4.959 1.00 10.11 N ATOM 0 H GLN A 18 22.485 22.599 -8.915 1.00 52.45 H new ATOM 0 HA GLN A 18 19.983 22.895 -7.385 1.00 21.32 H new ATOM 0 HB2 GLN A 18 22.295 24.814 -7.592 1.00 11.41 H new ATOM 0 HB3 GLN A 18 20.667 25.462 -7.563 1.00 11.41 H new ATOM 0 HG2 GLN A 18 20.261 24.175 -5.429 1.00 4.44 H new ATOM 0 HG3 GLN A 18 21.950 23.708 -5.443 1.00 4.44 H new ATOM 0 HE21 GLN A 18 23.604 25.414 -5.339 1.00 10.11 H new ATOM 0 HE22 GLN A 18 23.219 26.922 -4.503 1.00 10.11 H new ATOM 268 N THR A 19 18.847 23.659 -9.441 1.00 4.03 N ATOM 269 CA THR A 19 18.155 23.996 -10.678 1.00 42.11 C ATOM 270 C THR A 19 17.664 25.439 -10.658 1.00 34.14 C ATOM 271 O THR A 19 17.546 26.049 -9.596 1.00 43.41 O ATOM 272 CB THR A 19 16.956 23.061 -10.924 1.00 24.31 C ATOM 273 OG1 THR A 19 16.221 23.498 -12.072 1.00 11.31 O ATOM 274 CG2 THR A 19 16.039 23.026 -9.711 1.00 23.03 C ATOM 0 H THR A 19 18.234 23.360 -8.683 1.00 4.03 H new ATOM 0 HA THR A 19 18.875 23.871 -11.487 1.00 42.11 H new ATOM 0 HB THR A 19 17.338 22.055 -11.100 1.00 24.31 H new ATOM 0 HG1 THR A 19 15.292 23.676 -11.817 1.00 11.31 H new ATOM 0 HG21 THR A 19 15.200 22.359 -9.909 1.00 23.03 H new ATOM 0 HG22 THR A 19 16.594 22.664 -8.846 1.00 23.03 H new ATOM 0 HG23 THR A 19 15.665 24.030 -9.508 1.00 23.03 H new ATOM 282 N ASN A 20 17.377 25.978 -11.838 1.00 13.20 N ATOM 283 CA ASN A 20 16.897 27.351 -11.955 1.00 21.50 C ATOM 284 C ASN A 20 15.375 27.388 -12.052 1.00 11.42 C ATOM 285 O ASN A 20 14.745 28.386 -11.700 1.00 31.33 O ATOM 286 CB ASN A 20 17.514 28.026 -13.181 1.00 63.24 C ATOM 287 CG ASN A 20 16.850 27.594 -14.475 1.00 12.45 C ATOM 288 OD1 ASN A 20 16.571 26.413 -14.678 1.00 34.21 O ATOM 289 ND2 ASN A 20 16.594 28.554 -15.356 1.00 74.44 N ATOM 0 H ASN A 20 17.468 25.486 -12.727 1.00 13.20 H new ATOM 0 HA ASN A 20 17.200 27.893 -11.059 1.00 21.50 H new ATOM 0 HB2 ASN A 20 17.431 29.108 -13.077 1.00 63.24 H new ATOM 0 HB3 ASN A 20 18.577 27.791 -13.225 1.00 63.24 H new ATOM 0 HD21 ASN A 20 16.148 28.325 -16.244 1.00 74.44 H new ATOM 0 HD22 ASN A 20 16.843 29.520 -15.144 1.00 74.44 H new ATOM 296 N ASP A 21 14.791 26.296 -12.531 1.00 31.42 N ATOM 297 CA ASP A 21 13.342 26.202 -12.673 1.00 5.44 C ATOM 298 C ASP A 21 12.796 25.009 -11.895 1.00 61.03 C ATOM 299 O ASP A 21 13.520 24.071 -11.559 1.00 41.55 O ATOM 300 CB ASP A 21 12.960 26.084 -14.149 1.00 32.03 C ATOM 301 CG ASP A 21 12.773 27.436 -14.809 1.00 10.04 C ATOM 302 OD1 ASP A 21 13.286 28.437 -14.266 1.00 31.42 O ATOM 303 OD2 ASP A 21 12.113 27.494 -15.868 1.00 22.34 O ATOM 0 H ASP A 21 15.298 25.462 -12.828 1.00 31.42 H new ATOM 0 HA ASP A 21 12.901 27.111 -12.264 1.00 5.44 H new ATOM 0 HB2 ASP A 21 13.734 25.529 -14.678 1.00 32.03 H new ATOM 0 HB3 ASP A 21 12.038 25.509 -14.238 1.00 32.03 H new ATOM 308 N PRO A 22 11.488 25.043 -11.601 1.00 31.03 N ATOM 309 CA PRO A 22 10.815 23.972 -10.859 1.00 44.21 C ATOM 310 C PRO A 22 10.699 22.688 -11.673 1.00 11.00 C ATOM 311 O PRO A 22 10.443 21.617 -11.124 1.00 73.44 O ATOM 312 CB PRO A 22 9.428 24.554 -10.576 1.00 61.22 C ATOM 313 CG PRO A 22 9.210 25.556 -11.657 1.00 30.12 C ATOM 314 CD PRO A 22 10.565 26.129 -11.970 1.00 15.14 C ATOM 0 HA PRO A 22 11.365 23.690 -9.961 1.00 44.21 H new ATOM 0 HB2 PRO A 22 8.662 23.779 -10.594 1.00 61.22 H new ATOM 0 HB3 PRO A 22 9.387 25.019 -9.591 1.00 61.22 H new ATOM 0 HG2 PRO A 22 8.770 25.090 -12.539 1.00 30.12 H new ATOM 0 HG3 PRO A 22 8.522 26.336 -11.333 1.00 30.12 H new ATOM 0 HD2 PRO A 22 10.656 26.393 -13.024 1.00 15.14 H new ATOM 0 HD3 PRO A 22 10.761 27.035 -11.396 1.00 15.14 H new ATOM 322 N GLN A 23 10.889 22.804 -12.983 1.00 50.03 N ATOM 323 CA GLN A 23 10.805 21.651 -13.872 1.00 14.10 C ATOM 324 C GLN A 23 11.826 20.588 -13.483 1.00 24.12 C ATOM 325 O GLN A 23 11.546 19.392 -13.548 1.00 30.41 O ATOM 326 CB GLN A 23 11.026 22.082 -15.323 1.00 23.41 C ATOM 327 CG GLN A 23 10.352 21.172 -16.337 1.00 54.43 C ATOM 328 CD GLN A 23 8.971 21.660 -16.730 1.00 71.33 C ATOM 329 OE1 GLN A 23 8.262 22.267 -15.927 1.00 22.31 O ATOM 330 NE2 GLN A 23 8.581 21.396 -17.972 1.00 41.20 N ATOM 0 H GLN A 23 11.102 23.684 -13.452 1.00 50.03 H new ATOM 0 HA GLN A 23 9.808 21.222 -13.776 1.00 14.10 H new ATOM 0 HB2 GLN A 23 10.651 23.097 -15.453 1.00 23.41 H new ATOM 0 HB3 GLN A 23 12.097 22.109 -15.526 1.00 23.41 H new ATOM 0 HG2 GLN A 23 10.976 21.102 -17.228 1.00 54.43 H new ATOM 0 HG3 GLN A 23 10.274 20.167 -15.923 1.00 54.43 H new ATOM 0 HE21 GLN A 23 9.201 20.890 -18.605 1.00 41.20 H new ATOM 0 HE22 GLN A 23 7.662 21.699 -18.293 1.00 41.20 H new ATOM 339 N GLU A 24 13.012 21.033 -13.079 1.00 1.31 N ATOM 340 CA GLU A 24 14.076 20.119 -12.681 1.00 33.34 C ATOM 341 C GLU A 24 14.219 20.079 -11.162 1.00 35.31 C ATOM 342 O GLU A 24 13.750 20.975 -10.459 1.00 5.50 O ATOM 343 CB GLU A 24 15.403 20.536 -13.318 1.00 13.11 C ATOM 344 CG GLU A 24 15.268 20.995 -14.760 1.00 14.31 C ATOM 345 CD GLU A 24 16.356 20.435 -15.655 1.00 72.10 C ATOM 346 OE1 GLU A 24 16.349 19.211 -15.903 1.00 3.12 O ATOM 347 OE2 GLU A 24 17.214 21.221 -16.108 1.00 10.21 O ATOM 0 H GLU A 24 13.260 22.021 -13.019 1.00 1.31 H new ATOM 0 HA GLU A 24 13.812 19.121 -13.031 1.00 33.34 H new ATOM 0 HB2 GLU A 24 15.842 21.341 -12.729 1.00 13.11 H new ATOM 0 HB3 GLU A 24 16.096 19.696 -13.276 1.00 13.11 H new ATOM 0 HG2 GLU A 24 14.294 20.691 -15.144 1.00 14.31 H new ATOM 0 HG3 GLU A 24 15.299 22.084 -14.795 1.00 14.31 H new ATOM 354 N LEU A 25 14.868 19.033 -10.662 1.00 75.11 N ATOM 355 CA LEU A 25 15.072 18.874 -9.226 1.00 44.35 C ATOM 356 C LEU A 25 16.517 19.182 -8.845 1.00 70.13 C ATOM 357 O LEU A 25 17.372 19.363 -9.711 1.00 45.40 O ATOM 358 CB LEU A 25 14.710 17.452 -8.794 1.00 5.42 C ATOM 359 CG LEU A 25 13.566 17.328 -7.787 1.00 60.14 C ATOM 360 CD1 LEU A 25 12.313 18.008 -8.317 1.00 61.10 C ATOM 361 CD2 LEU A 25 13.289 15.865 -7.473 1.00 72.13 C ATOM 0 H LEU A 25 15.262 18.283 -11.229 1.00 75.11 H new ATOM 0 HA LEU A 25 14.421 19.580 -8.710 1.00 44.35 H new ATOM 0 HB2 LEU A 25 14.448 16.879 -9.683 1.00 5.42 H new ATOM 0 HB3 LEU A 25 15.597 16.987 -8.365 1.00 5.42 H new ATOM 0 HG LEU A 25 13.863 17.827 -6.865 1.00 60.14 H new ATOM 0 HD11 LEU A 25 11.509 17.910 -7.587 1.00 61.10 H new ATOM 0 HD12 LEU A 25 12.518 19.064 -8.491 1.00 61.10 H new ATOM 0 HD13 LEU A 25 12.012 17.538 -9.253 1.00 61.10 H new ATOM 0 HD21 LEU A 25 12.472 15.795 -6.755 1.00 72.13 H new ATOM 0 HD22 LEU A 25 13.013 15.342 -8.389 1.00 72.13 H new ATOM 0 HD23 LEU A 25 14.184 15.408 -7.050 1.00 72.13 H new ATOM 373 N ALA A 26 16.781 19.237 -7.544 1.00 63.30 N ATOM 374 CA ALA A 26 18.123 19.518 -7.048 1.00 71.22 C ATOM 375 C ALA A 26 18.715 18.300 -6.347 1.00 2.23 C ATOM 376 O ALA A 26 17.990 17.492 -5.766 1.00 31.33 O ATOM 377 CB ALA A 26 18.098 20.712 -6.106 1.00 32.03 C ATOM 0 H ALA A 26 16.084 19.091 -6.814 1.00 63.30 H new ATOM 0 HA ALA A 26 18.757 19.757 -7.902 1.00 71.22 H new ATOM 0 HB1 ALA A 26 19.107 20.910 -5.743 1.00 32.03 H new ATOM 0 HB2 ALA A 26 17.725 21.587 -6.638 1.00 32.03 H new ATOM 0 HB3 ALA A 26 17.445 20.495 -5.261 1.00 32.03 H new ATOM 383 N LEU A 27 20.036 18.174 -6.405 1.00 3.41 N ATOM 384 CA LEU A 27 20.727 17.054 -5.775 1.00 53.13 C ATOM 385 C LEU A 27 21.404 17.490 -4.480 1.00 44.44 C ATOM 386 O LEU A 27 21.599 18.682 -4.241 1.00 42.22 O ATOM 387 CB LEU A 27 21.763 16.465 -6.733 1.00 63.34 C ATOM 388 CG LEU A 27 21.253 16.088 -8.125 1.00 24.11 C ATOM 389 CD1 LEU A 27 22.404 16.034 -9.118 1.00 74.33 C ATOM 390 CD2 LEU A 27 20.521 14.755 -8.081 1.00 75.05 C ATOM 0 H LEU A 27 20.651 18.834 -6.882 1.00 3.41 H new ATOM 0 HA LEU A 27 19.987 16.290 -5.536 1.00 53.13 H new ATOM 0 HB2 LEU A 27 22.573 17.185 -6.848 1.00 63.34 H new ATOM 0 HB3 LEU A 27 22.191 15.575 -6.271 1.00 63.34 H new ATOM 0 HG LEU A 27 20.551 16.854 -8.455 1.00 24.11 H new ATOM 0 HD11 LEU A 27 22.023 15.764 -10.103 1.00 74.33 H new ATOM 0 HD12 LEU A 27 22.886 17.010 -9.170 1.00 74.33 H new ATOM 0 HD13 LEU A 27 23.130 15.288 -8.793 1.00 74.33 H new ATOM 0 HD21 LEU A 27 20.165 14.502 -9.080 1.00 75.05 H new ATOM 0 HD22 LEU A 27 21.201 13.978 -7.731 1.00 75.05 H new ATOM 0 HD23 LEU A 27 19.672 14.828 -7.401 1.00 75.05 H new ATOM 402 N ARG A 28 21.763 16.517 -3.649 1.00 43.34 N ATOM 403 CA ARG A 28 22.421 16.801 -2.379 1.00 75.13 C ATOM 404 C ARG A 28 23.616 15.876 -2.167 1.00 52.43 C ATOM 405 O ARG A 28 23.493 14.655 -2.262 1.00 11.14 O ATOM 406 CB ARG A 28 21.431 16.646 -1.223 1.00 30.01 C ATOM 407 CG ARG A 28 20.463 17.810 -1.090 1.00 34.10 C ATOM 408 CD ARG A 28 21.156 19.053 -0.555 1.00 12.03 C ATOM 409 NE ARG A 28 21.374 18.980 0.888 1.00 71.15 N ATOM 410 CZ ARG A 28 21.764 20.014 1.625 1.00 34.42 C ATOM 411 NH1 ARG A 28 21.976 21.193 1.059 1.00 5.51 N ATOM 412 NH2 ARG A 28 21.941 19.868 2.932 1.00 13.32 N ATOM 0 H ARG A 28 21.609 15.525 -3.832 1.00 43.34 H new ATOM 0 HA ARG A 28 22.780 17.830 -2.406 1.00 75.13 H new ATOM 0 HB2 ARG A 28 20.863 15.726 -1.363 1.00 30.01 H new ATOM 0 HB3 ARG A 28 21.987 16.539 -0.292 1.00 30.01 H new ATOM 0 HG2 ARG A 28 20.020 18.029 -2.062 1.00 34.10 H new ATOM 0 HG3 ARG A 28 19.647 17.532 -0.423 1.00 34.10 H new ATOM 0 HD2 ARG A 28 22.113 19.180 -1.060 1.00 12.03 H new ATOM 0 HD3 ARG A 28 20.554 19.932 -0.787 1.00 12.03 H new ATOM 0 HE ARG A 28 21.218 18.087 1.355 1.00 71.15 H new ATOM 0 HH11 ARG A 28 21.840 21.308 0.055 1.00 5.51 H new ATOM 0 HH12 ARG A 28 22.275 21.985 1.628 1.00 5.51 H new ATOM 0 HH21 ARG A 28 21.778 18.962 3.371 1.00 13.32 H new ATOM 0 HH22 ARG A 28 22.240 20.662 3.498 1.00 13.32 H new ATOM 426 N ARG A 29 24.771 16.468 -1.881 1.00 62.42 N ATOM 427 CA ARG A 29 25.989 15.698 -1.658 1.00 33.53 C ATOM 428 C ARG A 29 25.753 14.593 -0.632 1.00 74.42 C ATOM 429 O ARG A 29 25.150 14.823 0.415 1.00 3.03 O ATOM 430 CB ARG A 29 27.118 16.615 -1.184 1.00 71.43 C ATOM 431 CG ARG A 29 28.498 15.987 -1.291 1.00 71.42 C ATOM 432 CD ARG A 29 29.481 16.634 -0.328 1.00 34.31 C ATOM 433 NE ARG A 29 30.867 16.397 -0.720 1.00 5.32 N ATOM 434 CZ ARG A 29 31.495 17.097 -1.658 1.00 65.13 C ATOM 435 NH1 ARG A 29 30.864 18.072 -2.297 1.00 73.12 N ATOM 436 NH2 ARG A 29 32.758 16.822 -1.959 1.00 3.11 N ATOM 0 H ARG A 29 24.889 17.478 -1.798 1.00 62.42 H new ATOM 0 HA ARG A 29 26.276 15.238 -2.603 1.00 33.53 H new ATOM 0 HB2 ARG A 29 27.099 17.533 -1.771 1.00 71.43 H new ATOM 0 HB3 ARG A 29 26.935 16.896 -0.147 1.00 71.43 H new ATOM 0 HG2 ARG A 29 28.430 14.920 -1.081 1.00 71.42 H new ATOM 0 HG3 ARG A 29 28.867 16.088 -2.312 1.00 71.42 H new ATOM 0 HD2 ARG A 29 29.295 17.707 -0.286 1.00 34.31 H new ATOM 0 HD3 ARG A 29 29.316 16.242 0.676 1.00 34.31 H new ATOM 0 HE ARG A 29 31.381 15.653 -0.248 1.00 5.32 H new ATOM 0 HH11 ARG A 29 29.893 18.287 -2.069 1.00 73.12 H new ATOM 0 HH12 ARG A 29 31.349 18.608 -3.017 1.00 73.12 H new ATOM 0 HH21 ARG A 29 33.247 16.072 -1.470 1.00 3.11 H new ATOM 0 HH22 ARG A 29 33.239 17.360 -2.679 1.00 3.11 H new ATOM 450 N ASN A 30 26.231 13.392 -0.943 1.00 3.24 N ATOM 451 CA ASN A 30 26.071 12.251 -0.049 1.00 4.04 C ATOM 452 C ASN A 30 24.597 11.897 0.124 1.00 43.33 C ATOM 453 O ASN A 30 24.118 11.723 1.243 1.00 11.55 O ATOM 454 CB ASN A 30 26.698 12.553 1.314 1.00 33.34 C ATOM 455 CG ASN A 30 26.933 11.298 2.133 1.00 44.02 C ATOM 456 OD1 ASN A 30 27.638 10.385 1.701 1.00 11.33 O ATOM 457 ND2 ASN A 30 26.343 11.247 3.321 1.00 10.32 N ATOM 0 H ASN A 30 26.732 13.184 -1.807 1.00 3.24 H new ATOM 0 HA ASN A 30 26.581 11.397 -0.495 1.00 4.04 H new ATOM 0 HB2 ASN A 30 27.646 13.071 1.168 1.00 33.34 H new ATOM 0 HB3 ASN A 30 26.047 13.229 1.869 1.00 33.34 H new ATOM 0 HD21 ASN A 30 26.465 10.428 3.916 1.00 10.32 H new ATOM 0 HD22 ASN A 30 25.768 12.027 3.639 1.00 10.32 H new ATOM 464 N GLU A 31 23.885 11.792 -0.994 1.00 0.21 N ATOM 465 CA GLU A 31 22.466 11.459 -0.966 1.00 14.43 C ATOM 466 C GLU A 31 22.115 10.477 -2.079 1.00 70.15 C ATOM 467 O GLU A 31 22.836 10.363 -3.070 1.00 24.13 O ATOM 468 CB GLU A 31 21.619 12.727 -1.103 1.00 61.43 C ATOM 469 CG GLU A 31 20.297 12.659 -0.358 1.00 13.10 C ATOM 470 CD GLU A 31 20.436 13.009 1.111 1.00 65.02 C ATOM 471 OE1 GLU A 31 21.361 12.477 1.761 1.00 14.24 O ATOM 472 OE2 GLU A 31 19.622 13.814 1.610 1.00 64.43 O ATOM 0 H GLU A 31 24.267 11.933 -1.929 1.00 0.21 H new ATOM 0 HA GLU A 31 22.249 10.987 -0.008 1.00 14.43 H new ATOM 0 HB2 GLU A 31 22.191 13.578 -0.733 1.00 61.43 H new ATOM 0 HB3 GLU A 31 21.422 12.910 -2.159 1.00 61.43 H new ATOM 0 HG2 GLU A 31 19.586 13.341 -0.824 1.00 13.10 H new ATOM 0 HG3 GLU A 31 19.883 11.655 -0.451 1.00 13.10 H new ATOM 479 N GLU A 32 21.002 9.770 -1.908 1.00 64.32 N ATOM 480 CA GLU A 32 20.557 8.796 -2.898 1.00 60.11 C ATOM 481 C GLU A 32 19.264 9.253 -3.567 1.00 71.22 C ATOM 482 O GLU A 32 18.488 10.014 -2.989 1.00 2.23 O ATOM 483 CB GLU A 32 20.350 7.428 -2.244 1.00 10.54 C ATOM 484 CG GLU A 32 21.590 6.550 -2.263 1.00 53.24 C ATOM 485 CD GLU A 32 21.620 5.558 -1.117 1.00 70.22 C ATOM 486 OE1 GLU A 32 20.541 5.061 -0.734 1.00 32.45 O ATOM 487 OE2 GLU A 32 22.724 5.278 -0.604 1.00 51.43 O ATOM 0 H GLU A 32 20.393 9.853 -1.094 1.00 64.32 H new ATOM 0 HA GLU A 32 21.331 8.712 -3.661 1.00 60.11 H new ATOM 0 HB2 GLU A 32 20.033 7.573 -1.211 1.00 10.54 H new ATOM 0 HB3 GLU A 32 19.540 6.909 -2.756 1.00 10.54 H new ATOM 0 HG2 GLU A 32 21.633 6.009 -3.208 1.00 53.24 H new ATOM 0 HG3 GLU A 32 22.478 7.181 -2.216 1.00 53.24 H new ATOM 494 N TYR A 33 19.039 8.783 -4.789 1.00 43.12 N ATOM 495 CA TYR A 33 17.842 9.145 -5.539 1.00 44.11 C ATOM 496 C TYR A 33 17.342 7.967 -6.369 1.00 64.41 C ATOM 497 O TYR A 33 18.100 7.362 -7.129 1.00 2.21 O ATOM 498 CB TYR A 33 18.128 10.340 -6.450 1.00 51.21 C ATOM 499 CG TYR A 33 18.461 11.609 -5.698 1.00 65.20 C ATOM 500 CD1 TYR A 33 17.459 12.472 -5.273 1.00 74.42 C ATOM 501 CD2 TYR A 33 19.779 11.945 -5.413 1.00 50.12 C ATOM 502 CE1 TYR A 33 17.758 13.632 -4.586 1.00 44.23 C ATOM 503 CE2 TYR A 33 20.088 13.103 -4.726 1.00 20.33 C ATOM 504 CZ TYR A 33 19.074 13.943 -4.315 1.00 5.14 C ATOM 505 OH TYR A 33 19.378 15.098 -3.631 1.00 23.13 O ATOM 0 H TYR A 33 19.670 8.150 -5.281 1.00 43.12 H new ATOM 0 HA TYR A 33 17.065 9.418 -4.825 1.00 44.11 H new ATOM 0 HB2 TYR A 33 18.958 10.091 -7.112 1.00 51.21 H new ATOM 0 HB3 TYR A 33 17.259 10.520 -7.083 1.00 51.21 H new ATOM 0 HD1 TYR A 33 16.427 12.231 -5.484 1.00 74.42 H new ATOM 0 HD2 TYR A 33 20.575 11.290 -5.734 1.00 50.12 H new ATOM 0 HE1 TYR A 33 16.966 14.292 -4.263 1.00 44.23 H new ATOM 0 HE2 TYR A 33 21.118 13.349 -4.512 1.00 20.33 H new ATOM 0 HH TYR A 33 19.238 14.956 -2.671 1.00 23.13 H new ATOM 515 N CYS A 34 16.062 7.647 -6.218 1.00 61.44 N ATOM 516 CA CYS A 34 15.459 6.540 -6.953 1.00 52.43 C ATOM 517 C CYS A 34 15.352 6.869 -8.439 1.00 30.21 C ATOM 518 O CYS A 34 14.501 7.658 -8.852 1.00 30.13 O ATOM 519 CB CYS A 34 14.074 6.221 -6.388 1.00 61.54 C ATOM 520 SG CYS A 34 14.105 5.257 -4.858 1.00 44.35 S ATOM 0 H CYS A 34 15.422 8.138 -5.594 1.00 61.44 H new ATOM 0 HA CYS A 34 16.101 5.666 -6.838 1.00 52.43 H new ATOM 0 HB2 CYS A 34 13.544 7.156 -6.205 1.00 61.54 H new ATOM 0 HB3 CYS A 34 13.505 5.673 -7.139 1.00 61.54 H new ATOM 0 HG CYS A 34 12.888 5.040 -4.457 1.00 44.35 H new ATOM 526 N LEU A 35 16.221 6.260 -9.238 1.00 3.02 N ATOM 527 CA LEU A 35 16.226 6.489 -10.679 1.00 23.44 C ATOM 528 C LEU A 35 14.909 6.044 -11.305 1.00 75.01 C ATOM 529 O LEU A 35 14.411 4.953 -11.022 1.00 13.42 O ATOM 530 CB LEU A 35 17.391 5.741 -11.329 1.00 64.14 C ATOM 531 CG LEU A 35 17.981 6.381 -12.587 1.00 2.15 C ATOM 532 CD1 LEU A 35 16.941 6.438 -13.695 1.00 24.41 C ATOM 533 CD2 LEU A 35 18.510 7.774 -12.278 1.00 4.14 C ATOM 0 H LEU A 35 16.931 5.604 -8.913 1.00 3.02 H new ATOM 0 HA LEU A 35 16.346 7.558 -10.852 1.00 23.44 H new ATOM 0 HB2 LEU A 35 18.187 5.637 -10.591 1.00 64.14 H new ATOM 0 HB3 LEU A 35 17.056 4.735 -11.580 1.00 64.14 H new ATOM 0 HG LEU A 35 18.813 5.765 -12.929 1.00 2.15 H new ATOM 0 HD11 LEU A 35 17.379 6.896 -14.582 1.00 24.41 H new ATOM 0 HD12 LEU A 35 16.609 5.428 -13.935 1.00 24.41 H new ATOM 0 HD13 LEU A 35 16.088 7.031 -13.364 1.00 24.41 H new ATOM 0 HD21 LEU A 35 18.926 8.214 -13.184 1.00 4.14 H new ATOM 0 HD22 LEU A 35 17.696 8.399 -11.911 1.00 4.14 H new ATOM 0 HD23 LEU A 35 19.287 7.707 -11.517 1.00 4.14 H new ATOM 545 N LEU A 36 14.349 6.894 -12.159 1.00 61.22 N ATOM 546 CA LEU A 36 13.090 6.588 -12.829 1.00 35.15 C ATOM 547 C LEU A 36 13.276 6.536 -14.342 1.00 34.24 C ATOM 548 O LEU A 36 12.792 5.618 -15.005 1.00 42.42 O ATOM 549 CB LEU A 36 12.031 7.633 -12.469 1.00 64.51 C ATOM 550 CG LEU A 36 11.506 7.589 -11.034 1.00 2.43 C ATOM 551 CD1 LEU A 36 12.025 8.778 -10.240 1.00 11.24 C ATOM 552 CD2 LEU A 36 9.985 7.562 -11.023 1.00 72.41 C ATOM 0 H LEU A 36 14.747 7.801 -12.404 1.00 61.22 H new ATOM 0 HA LEU A 36 12.755 5.608 -12.489 1.00 35.15 H new ATOM 0 HB2 LEU A 36 12.449 8.623 -12.651 1.00 64.51 H new ATOM 0 HB3 LEU A 36 11.186 7.514 -13.148 1.00 64.51 H new ATOM 0 HG LEU A 36 11.869 6.676 -10.562 1.00 2.43 H new ATOM 0 HD11 LEU A 36 11.641 8.730 -9.221 1.00 11.24 H new ATOM 0 HD12 LEU A 36 13.115 8.754 -10.219 1.00 11.24 H new ATOM 0 HD13 LEU A 36 11.692 9.703 -10.710 1.00 11.24 H new ATOM 0 HD21 LEU A 36 9.629 7.531 -9.993 1.00 72.41 H new ATOM 0 HD22 LEU A 36 9.602 8.457 -11.512 1.00 72.41 H new ATOM 0 HD23 LEU A 36 9.633 6.678 -11.555 1.00 72.41 H new ATOM 564 N ASP A 37 13.981 7.525 -14.880 1.00 74.40 N ATOM 565 CA ASP A 37 14.234 7.590 -16.315 1.00 31.03 C ATOM 566 C ASP A 37 15.657 8.062 -16.594 1.00 43.12 C ATOM 567 O ASP A 37 16.057 9.147 -16.170 1.00 73.45 O ATOM 568 CB ASP A 37 13.231 8.527 -16.989 1.00 52.11 C ATOM 569 CG ASP A 37 12.672 7.949 -18.274 1.00 74.31 C ATOM 570 OD1 ASP A 37 13.271 8.189 -19.343 1.00 53.04 O ATOM 571 OD2 ASP A 37 11.635 7.255 -18.210 1.00 44.14 O ATOM 0 H ASP A 37 14.387 8.292 -14.345 1.00 74.40 H new ATOM 0 HA ASP A 37 14.116 6.588 -16.726 1.00 31.03 H new ATOM 0 HB2 ASP A 37 12.412 8.734 -16.300 1.00 52.11 H new ATOM 0 HB3 ASP A 37 13.715 9.480 -17.203 1.00 52.11 H new ATOM 576 N SER A 38 16.418 7.240 -17.309 1.00 64.23 N ATOM 577 CA SER A 38 17.799 7.571 -17.641 1.00 62.13 C ATOM 578 C SER A 38 18.093 7.269 -19.108 1.00 33.03 C ATOM 579 O SER A 38 18.459 6.148 -19.461 1.00 12.01 O ATOM 580 CB SER A 38 18.763 6.790 -16.745 1.00 53.23 C ATOM 581 OG SER A 38 18.418 5.416 -16.701 1.00 44.34 O ATOM 0 H SER A 38 16.102 6.340 -17.670 1.00 64.23 H new ATOM 0 HA SER A 38 17.941 8.638 -17.472 1.00 62.13 H new ATOM 0 HB2 SER A 38 19.781 6.901 -17.117 1.00 53.23 H new ATOM 0 HB3 SER A 38 18.745 7.205 -15.737 1.00 53.23 H new ATOM 0 HG SER A 38 18.269 5.087 -17.612 1.00 44.34 H new ATOM 587 N SER A 39 17.929 8.278 -19.957 1.00 60.14 N ATOM 588 CA SER A 39 18.172 8.121 -21.387 1.00 23.15 C ATOM 589 C SER A 39 19.526 8.708 -21.775 1.00 31.21 C ATOM 590 O SER A 39 20.275 8.109 -22.546 1.00 2.22 O ATOM 591 CB SER A 39 17.061 8.797 -22.192 1.00 32.42 C ATOM 592 OG SER A 39 17.491 9.089 -23.510 1.00 24.11 O ATOM 0 H SER A 39 17.629 9.213 -19.680 1.00 60.14 H new ATOM 0 HA SER A 39 18.178 7.055 -21.615 1.00 23.15 H new ATOM 0 HB2 SER A 39 16.186 8.147 -22.227 1.00 32.42 H new ATOM 0 HB3 SER A 39 16.755 9.717 -21.694 1.00 32.42 H new ATOM 0 HG SER A 39 16.762 9.519 -24.004 1.00 24.11 H new ATOM 598 N GLU A 40 19.831 9.883 -21.235 1.00 2.55 N ATOM 599 CA GLU A 40 21.094 10.552 -21.525 1.00 40.11 C ATOM 600 C GLU A 40 21.473 11.512 -20.401 1.00 32.22 C ATOM 601 O GLU A 40 20.617 11.955 -19.634 1.00 60.21 O ATOM 602 CB GLU A 40 21.001 11.312 -22.850 1.00 1.43 C ATOM 603 CG GLU A 40 22.144 11.013 -23.805 1.00 23.02 C ATOM 604 CD GLU A 40 21.676 10.351 -25.086 1.00 52.22 C ATOM 605 OE1 GLU A 40 21.136 9.228 -25.011 1.00 64.54 O ATOM 606 OE2 GLU A 40 21.849 10.958 -26.164 1.00 72.11 O ATOM 0 H GLU A 40 19.221 10.392 -20.595 1.00 2.55 H new ATOM 0 HA GLU A 40 21.869 9.790 -21.605 1.00 40.11 H new ATOM 0 HB2 GLU A 40 20.058 11.063 -23.336 1.00 1.43 H new ATOM 0 HB3 GLU A 40 20.981 12.382 -22.645 1.00 1.43 H new ATOM 0 HG2 GLU A 40 22.661 11.941 -24.048 1.00 23.02 H new ATOM 0 HG3 GLU A 40 22.867 10.365 -23.309 1.00 23.02 H new ATOM 613 N ILE A 41 22.760 11.828 -20.309 1.00 62.31 N ATOM 614 CA ILE A 41 23.252 12.735 -19.280 1.00 23.44 C ATOM 615 C ILE A 41 22.535 14.079 -19.342 1.00 73.42 C ATOM 616 O ILE A 41 22.546 14.846 -18.379 1.00 42.34 O ATOM 617 CB ILE A 41 24.769 12.968 -19.413 1.00 53.23 C ATOM 618 CG1 ILE A 41 25.256 13.930 -18.328 1.00 23.24 C ATOM 619 CG2 ILE A 41 25.101 13.509 -20.796 1.00 4.12 C ATOM 620 CD1 ILE A 41 26.760 14.090 -18.293 1.00 61.21 C ATOM 0 H ILE A 41 23.481 11.469 -20.935 1.00 62.31 H new ATOM 0 HA ILE A 41 23.048 12.262 -18.319 1.00 23.44 H new ATOM 0 HB ILE A 41 25.282 12.015 -19.283 1.00 53.23 H new ATOM 0 HG12 ILE A 41 24.798 14.906 -18.487 1.00 23.24 H new ATOM 0 HG13 ILE A 41 24.914 13.573 -17.357 1.00 23.24 H new ATOM 0 HG21 ILE A 41 26.176 13.669 -20.876 1.00 4.12 H new ATOM 0 HG22 ILE A 41 24.784 12.792 -21.553 1.00 4.12 H new ATOM 0 HG23 ILE A 41 24.581 14.454 -20.951 1.00 4.12 H new ATOM 0 HD11 ILE A 41 27.033 14.786 -17.500 1.00 61.21 H new ATOM 0 HD12 ILE A 41 27.224 13.122 -18.103 1.00 61.21 H new ATOM 0 HD13 ILE A 41 27.107 14.477 -19.251 1.00 61.21 H new ATOM 632 N HIS A 42 21.909 14.357 -20.482 1.00 31.34 N ATOM 633 CA HIS A 42 21.183 15.608 -20.669 1.00 70.24 C ATOM 634 C HIS A 42 20.170 15.822 -19.548 1.00 64.05 C ATOM 635 O HIS A 42 20.072 16.914 -18.989 1.00 32.14 O ATOM 636 CB HIS A 42 20.471 15.611 -22.023 1.00 24.23 C ATOM 637 CG HIS A 42 21.397 15.794 -23.186 1.00 1.12 C ATOM 638 ND1 HIS A 42 22.530 15.031 -23.373 1.00 43.33 N ATOM 639 CD2 HIS A 42 21.351 16.659 -24.226 1.00 2.00 C ATOM 640 CE1 HIS A 42 23.142 15.420 -24.477 1.00 45.15 C ATOM 641 NE2 HIS A 42 22.447 16.406 -25.014 1.00 50.52 N ATOM 0 H HIS A 42 21.890 13.733 -21.289 1.00 31.34 H new ATOM 0 HA HIS A 42 21.904 16.425 -20.644 1.00 70.24 H new ATOM 0 HB2 HIS A 42 19.932 14.671 -22.143 1.00 24.23 H new ATOM 0 HB3 HIS A 42 19.728 16.408 -22.032 1.00 24.23 H new ATOM 0 HD2 HIS A 42 20.594 17.408 -24.403 1.00 2.00 H new ATOM 0 HE1 HIS A 42 24.056 15.002 -24.873 1.00 45.15 H new ATOM 0 HE2 HIS A 42 22.685 16.900 -25.874 1.00 50.52 H new ATOM 649 N TRP A 43 19.421 14.774 -19.227 1.00 54.03 N ATOM 650 CA TRP A 43 18.415 14.848 -18.174 1.00 12.34 C ATOM 651 C TRP A 43 18.128 13.467 -17.596 1.00 64.42 C ATOM 652 O TRP A 43 17.851 12.521 -18.334 1.00 63.01 O ATOM 653 CB TRP A 43 17.124 15.466 -18.715 1.00 4.15 C ATOM 654 CG TRP A 43 16.505 14.671 -19.824 1.00 14.23 C ATOM 655 CD1 TRP A 43 16.681 14.859 -21.165 1.00 3.43 C ATOM 656 CD2 TRP A 43 15.607 13.564 -19.687 1.00 24.14 C ATOM 657 NE1 TRP A 43 15.948 13.936 -21.870 1.00 32.33 N ATOM 658 CE2 TRP A 43 15.281 13.129 -20.986 1.00 70.01 C ATOM 659 CE3 TRP A 43 15.050 12.896 -18.593 1.00 52.11 C ATOM 660 CZ2 TRP A 43 14.422 12.059 -21.218 1.00 75.55 C ATOM 661 CZ3 TRP A 43 14.197 11.834 -18.825 1.00 53.14 C ATOM 662 CH2 TRP A 43 13.890 11.423 -20.129 1.00 52.14 C ATOM 0 H TRP A 43 19.491 13.863 -19.680 1.00 54.03 H new ATOM 0 HA TRP A 43 18.806 15.480 -17.377 1.00 12.34 H new ATOM 0 HB2 TRP A 43 16.406 15.561 -17.901 1.00 4.15 H new ATOM 0 HB3 TRP A 43 17.334 16.474 -19.073 1.00 4.15 H new ATOM 0 HD1 TRP A 43 17.305 15.622 -21.607 1.00 3.43 H new ATOM 0 HE1 TRP A 43 15.907 13.863 -22.887 1.00 32.33 H new ATOM 0 HE3 TRP A 43 15.282 13.204 -17.584 1.00 52.11 H new ATOM 0 HZ2 TRP A 43 14.183 11.741 -22.222 1.00 75.55 H new ATOM 0 HZ3 TRP A 43 13.759 11.312 -17.987 1.00 53.14 H new ATOM 0 HH2 TRP A 43 13.221 10.588 -20.278 1.00 52.14 H new ATOM 673 N TRP A 44 18.197 13.357 -16.274 1.00 74.14 N ATOM 674 CA TRP A 44 17.944 12.089 -15.599 1.00 11.22 C ATOM 675 C TRP A 44 16.806 12.226 -14.593 1.00 71.33 C ATOM 676 O TRP A 44 16.924 12.946 -13.602 1.00 25.00 O ATOM 677 CB TRP A 44 19.210 11.603 -14.892 1.00 2.43 C ATOM 678 CG TRP A 44 20.034 10.668 -15.725 1.00 11.34 C ATOM 679 CD1 TRP A 44 20.129 10.652 -17.087 1.00 4.12 C ATOM 680 CD2 TRP A 44 20.876 9.613 -15.249 1.00 30.33 C ATOM 681 NE1 TRP A 44 20.980 9.650 -17.487 1.00 22.25 N ATOM 682 CE2 TRP A 44 21.452 8.998 -16.378 1.00 0.31 C ATOM 683 CE3 TRP A 44 21.201 9.128 -13.979 1.00 42.10 C ATOM 684 CZ2 TRP A 44 22.332 7.925 -16.273 1.00 24.22 C ATOM 685 CZ3 TRP A 44 22.075 8.062 -13.876 1.00 52.44 C ATOM 686 CH2 TRP A 44 22.633 7.471 -15.017 1.00 60.34 C ATOM 0 H TRP A 44 18.426 14.130 -15.649 1.00 74.14 H new ATOM 0 HA TRP A 44 17.653 11.357 -16.352 1.00 11.22 H new ATOM 0 HB2 TRP A 44 19.818 12.465 -14.617 1.00 2.43 H new ATOM 0 HB3 TRP A 44 18.930 11.102 -13.965 1.00 2.43 H new ATOM 0 HD1 TRP A 44 19.611 11.327 -17.752 1.00 4.12 H new ATOM 0 HE1 TRP A 44 21.221 9.428 -18.453 1.00 22.25 H new ATOM 0 HE3 TRP A 44 20.777 9.578 -13.094 1.00 42.10 H new ATOM 0 HZ2 TRP A 44 22.762 7.467 -17.151 1.00 24.22 H new ATOM 0 HZ3 TRP A 44 22.332 7.678 -12.900 1.00 52.44 H new ATOM 0 HH2 TRP A 44 23.314 6.641 -14.904 1.00 60.34 H new ATOM 697 N ARG A 45 15.704 11.530 -14.855 1.00 22.11 N ATOM 698 CA ARG A 45 14.545 11.575 -13.972 1.00 74.14 C ATOM 699 C ARG A 45 14.766 10.704 -12.739 1.00 51.11 C ATOM 700 O ARG A 45 14.914 9.487 -12.844 1.00 64.52 O ATOM 701 CB ARG A 45 13.291 11.113 -14.718 1.00 64.40 C ATOM 702 CG ARG A 45 12.259 12.211 -14.913 1.00 33.23 C ATOM 703 CD ARG A 45 10.842 11.662 -14.842 1.00 41.20 C ATOM 704 NE ARG A 45 10.427 11.056 -16.104 1.00 34.52 N ATOM 705 CZ ARG A 45 9.157 10.857 -16.441 1.00 41.51 C ATOM 706 NH1 ARG A 45 8.184 11.217 -15.615 1.00 24.31 N ATOM 707 NH2 ARG A 45 8.859 10.299 -17.607 1.00 54.44 N ATOM 0 H ARG A 45 15.590 10.929 -15.671 1.00 22.11 H new ATOM 0 HA ARG A 45 14.407 12.606 -13.647 1.00 74.14 H new ATOM 0 HB2 ARG A 45 13.582 10.722 -15.693 1.00 64.40 H new ATOM 0 HB3 ARG A 45 12.834 10.290 -14.168 1.00 64.40 H new ATOM 0 HG2 ARG A 45 12.392 12.977 -14.149 1.00 33.23 H new ATOM 0 HG3 ARG A 45 12.416 12.692 -15.878 1.00 33.23 H new ATOM 0 HD2 ARG A 45 10.780 10.920 -14.046 1.00 41.20 H new ATOM 0 HD3 ARG A 45 10.154 12.467 -14.582 1.00 41.20 H new ATOM 0 HE ARG A 45 11.151 10.770 -16.763 1.00 34.52 H new ATOM 0 HH11 ARG A 45 8.409 11.648 -14.718 1.00 24.31 H new ATOM 0 HH12 ARG A 45 7.210 11.063 -15.876 1.00 24.31 H new ATOM 0 HH21 ARG A 45 9.605 10.022 -18.245 1.00 54.44 H new ATOM 0 HH22 ARG A 45 7.884 10.147 -17.865 1.00 54.44 H new ATOM 721 N VAL A 46 14.787 11.337 -11.570 1.00 63.12 N ATOM 722 CA VAL A 46 14.990 10.621 -10.317 1.00 32.44 C ATOM 723 C VAL A 46 13.993 11.075 -9.257 1.00 13.03 C ATOM 724 O VAL A 46 13.323 12.095 -9.418 1.00 72.41 O ATOM 725 CB VAL A 46 16.420 10.821 -9.780 1.00 54.22 C ATOM 726 CG1 VAL A 46 17.445 10.423 -10.831 1.00 20.43 C ATOM 727 CG2 VAL A 46 16.626 12.263 -9.342 1.00 3.13 C ATOM 0 H VAL A 46 14.666 12.344 -11.465 1.00 63.12 H new ATOM 0 HA VAL A 46 14.835 9.563 -10.529 1.00 32.44 H new ATOM 0 HB VAL A 46 16.558 10.178 -8.911 1.00 54.22 H new ATOM 0 HG11 VAL A 46 18.449 10.571 -10.434 1.00 20.43 H new ATOM 0 HG12 VAL A 46 17.309 9.374 -11.093 1.00 20.43 H new ATOM 0 HG13 VAL A 46 17.312 11.039 -11.720 1.00 20.43 H new ATOM 0 HG21 VAL A 46 17.641 12.387 -8.965 1.00 3.13 H new ATOM 0 HG22 VAL A 46 16.471 12.927 -10.192 1.00 3.13 H new ATOM 0 HG23 VAL A 46 15.914 12.509 -8.554 1.00 3.13 H new ATOM 737 N GLN A 47 13.901 10.312 -8.173 1.00 33.53 N ATOM 738 CA GLN A 47 12.985 10.636 -7.086 1.00 14.33 C ATOM 739 C GLN A 47 13.718 10.675 -5.749 1.00 50.41 C ATOM 740 O GLN A 47 14.607 9.863 -5.494 1.00 4.21 O ATOM 741 CB GLN A 47 11.847 9.615 -7.027 1.00 50.41 C ATOM 742 CG GLN A 47 10.941 9.783 -5.818 1.00 30.20 C ATOM 743 CD GLN A 47 9.627 9.042 -5.966 1.00 72.24 C ATOM 744 OE1 GLN A 47 8.521 9.757 -5.795 1.00 62.30 O flip ATOM 745 NE2 GLN A 47 9.605 7.840 -6.232 1.00 21.11 N flip ATOM 0 H GLN A 47 14.450 9.465 -8.024 1.00 33.53 H new ATOM 0 HA GLN A 47 12.568 11.624 -7.280 1.00 14.33 H new ATOM 0 HB2 GLN A 47 11.248 9.698 -7.934 1.00 50.41 H new ATOM 0 HB3 GLN A 47 12.271 8.611 -7.016 1.00 50.41 H new ATOM 0 HG2 GLN A 47 11.458 9.424 -4.928 1.00 30.20 H new ATOM 0 HG3 GLN A 47 10.740 10.843 -5.664 1.00 30.20 H new ATOM 0 HE21 GLN A 47 10.479 7.329 -6.355 1.00 21.11 H new ATOM 0 HE22 GLN A 47 8.713 7.355 -6.329 1.00 21.11 H new ATOM 754 N ASP A 48 13.340 11.624 -4.900 1.00 14.31 N ATOM 755 CA ASP A 48 13.961 11.769 -3.589 1.00 31.14 C ATOM 756 C ASP A 48 13.417 10.731 -2.612 1.00 62.41 C ATOM 757 O ASP A 48 12.630 9.862 -2.989 1.00 2.11 O ATOM 758 CB ASP A 48 13.723 13.177 -3.040 1.00 73.32 C ATOM 759 CG ASP A 48 14.471 14.237 -3.823 1.00 41.43 C ATOM 760 OD1 ASP A 48 14.717 14.022 -5.029 1.00 1.31 O ATOM 761 OD2 ASP A 48 14.810 15.283 -3.231 1.00 22.11 O ATOM 0 H ASP A 48 12.606 12.305 -5.096 1.00 14.31 H new ATOM 0 HA ASP A 48 15.033 11.608 -3.703 1.00 31.14 H new ATOM 0 HB2 ASP A 48 12.656 13.397 -3.063 1.00 73.32 H new ATOM 0 HB3 ASP A 48 14.033 13.214 -1.996 1.00 73.32 H new ATOM 766 N ARG A 49 13.843 10.826 -1.357 1.00 1.11 N ATOM 767 CA ARG A 49 13.401 9.894 -0.327 1.00 32.20 C ATOM 768 C ARG A 49 12.184 10.440 0.415 1.00 45.11 C ATOM 769 O ARG A 49 11.850 9.977 1.504 1.00 32.51 O ATOM 770 CB ARG A 49 14.534 9.619 0.663 1.00 63.10 C ATOM 771 CG ARG A 49 14.896 10.819 1.524 1.00 74.54 C ATOM 772 CD ARG A 49 16.379 10.839 1.856 1.00 44.24 C ATOM 773 NE ARG A 49 16.621 10.724 3.291 1.00 34.44 N ATOM 774 CZ ARG A 49 16.571 9.574 3.955 1.00 73.23 C ATOM 775 NH1 ARG A 49 16.290 8.447 3.315 1.00 41.13 N ATOM 776 NH2 ARG A 49 16.802 9.550 5.261 1.00 22.41 N ATOM 0 H ARG A 49 14.494 11.539 -1.029 1.00 1.11 H new ATOM 0 HA ARG A 49 13.119 8.961 -0.814 1.00 32.20 H new ATOM 0 HB2 ARG A 49 14.246 8.791 1.311 1.00 63.10 H new ATOM 0 HB3 ARG A 49 15.418 9.299 0.111 1.00 63.10 H new ATOM 0 HG2 ARG A 49 14.626 11.737 1.002 1.00 74.54 H new ATOM 0 HG3 ARG A 49 14.316 10.795 2.446 1.00 74.54 H new ATOM 0 HD2 ARG A 49 16.877 10.020 1.338 1.00 44.24 H new ATOM 0 HD3 ARG A 49 16.820 11.765 1.487 1.00 44.24 H new ATOM 0 HE ARG A 49 16.840 11.573 3.812 1.00 34.44 H new ATOM 0 HH11 ARG A 49 16.112 8.462 2.311 1.00 41.13 H new ATOM 0 HH12 ARG A 49 16.252 7.566 3.827 1.00 41.13 H new ATOM 0 HH21 ARG A 49 17.018 10.415 5.757 1.00 22.41 H new ATOM 0 HH22 ARG A 49 16.763 8.667 5.770 1.00 22.41 H new ATOM 790 N ASN A 50 11.528 11.429 -0.183 1.00 72.23 N ATOM 791 CA ASN A 50 10.349 12.039 0.421 1.00 3.32 C ATOM 792 C ASN A 50 9.117 11.826 -0.453 1.00 2.00 C ATOM 793 O ASN A 50 7.989 11.817 0.038 1.00 61.34 O ATOM 794 CB ASN A 50 10.580 13.536 0.640 1.00 21.24 C ATOM 795 CG ASN A 50 11.930 13.827 1.268 1.00 35.23 C ATOM 796 OD1 ASN A 50 12.968 13.874 0.442 1.00 22.15 O flip ATOM 797 ND2 ASN A 50 12.036 14.007 2.481 1.00 3.44 N flip ATOM 0 H ASN A 50 11.793 11.825 -1.085 1.00 72.23 H new ATOM 0 HA ASN A 50 10.176 11.559 1.384 1.00 3.32 H new ATOM 0 HB2 ASN A 50 10.507 14.056 -0.315 1.00 21.24 H new ATOM 0 HB3 ASN A 50 9.792 13.933 1.280 1.00 21.24 H new ATOM 0 HD21 ASN A 50 11.210 13.961 3.077 1.00 3.44 H new ATOM 0 HD22 ASN A 50 12.950 14.202 2.890 1.00 3.44 H new ATOM 804 N GLY A 51 9.342 11.654 -1.752 1.00 44.31 N ATOM 805 CA GLY A 51 8.242 11.443 -2.674 1.00 71.12 C ATOM 806 C GLY A 51 8.182 12.501 -3.758 1.00 63.11 C ATOM 807 O GLY A 51 7.111 12.800 -4.286 1.00 35.40 O ATOM 0 H GLY A 51 10.267 11.657 -2.182 1.00 44.31 H new ATOM 0 HA2 GLY A 51 8.342 10.460 -3.135 1.00 71.12 H new ATOM 0 HA3 GLY A 51 7.303 11.441 -2.120 1.00 71.12 H new ATOM 811 N HIS A 52 9.336 13.071 -4.090 1.00 41.15 N ATOM 812 CA HIS A 52 9.411 14.103 -5.118 1.00 54.43 C ATOM 813 C HIS A 52 10.306 13.659 -6.271 1.00 73.31 C ATOM 814 O HIS A 52 11.459 13.283 -6.064 1.00 32.34 O ATOM 815 CB HIS A 52 9.938 15.409 -4.522 1.00 53.03 C ATOM 816 CG HIS A 52 9.205 15.844 -3.291 1.00 14.40 C ATOM 817 ND1 HIS A 52 9.746 15.765 -2.025 1.00 72.12 N ATOM 818 CD2 HIS A 52 7.966 16.368 -3.137 1.00 32.43 C ATOM 819 CE1 HIS A 52 8.871 16.219 -1.145 1.00 61.34 C ATOM 820 NE2 HIS A 52 7.783 16.591 -1.794 1.00 55.22 N ATOM 0 H HIS A 52 10.232 12.836 -3.662 1.00 41.15 H new ATOM 0 HA HIS A 52 8.406 14.268 -5.505 1.00 54.43 H new ATOM 0 HB2 HIS A 52 10.995 15.289 -4.282 1.00 53.03 H new ATOM 0 HB3 HIS A 52 9.869 16.196 -5.273 1.00 53.03 H new ATOM 0 HD2 HIS A 52 7.254 16.572 -3.923 1.00 32.43 H new ATOM 0 HE1 HIS A 52 9.020 16.276 -0.077 1.00 61.34 H new ATOM 0 HE2 HIS A 52 6.943 16.981 -1.367 1.00 55.22 H new ATOM 828 N GLU A 53 9.766 13.704 -7.485 1.00 14.10 N ATOM 829 CA GLU A 53 10.516 13.304 -8.670 1.00 10.05 C ATOM 830 C GLU A 53 10.789 14.504 -9.572 1.00 1.24 C ATOM 831 O GLU A 53 9.934 15.371 -9.746 1.00 34.10 O ATOM 832 CB GLU A 53 9.750 12.231 -9.447 1.00 45.42 C ATOM 833 CG GLU A 53 9.170 11.138 -8.566 1.00 4.12 C ATOM 834 CD GLU A 53 7.676 11.289 -8.356 1.00 42.11 C ATOM 835 OE1 GLU A 53 6.906 10.812 -9.216 1.00 30.34 O ATOM 836 OE2 GLU A 53 7.277 11.884 -7.334 1.00 2.34 O ATOM 0 H GLU A 53 8.812 14.013 -7.674 1.00 14.10 H new ATOM 0 HA GLU A 53 11.471 12.893 -8.343 1.00 10.05 H new ATOM 0 HB2 GLU A 53 8.941 12.705 -10.003 1.00 45.42 H new ATOM 0 HB3 GLU A 53 10.418 11.779 -10.180 1.00 45.42 H new ATOM 0 HG2 GLU A 53 9.373 10.167 -9.017 1.00 4.12 H new ATOM 0 HG3 GLU A 53 9.672 11.152 -7.599 1.00 4.12 H new ATOM 843 N GLY A 54 11.989 14.547 -10.142 1.00 42.35 N ATOM 844 CA GLY A 54 12.355 15.645 -11.019 1.00 31.33 C ATOM 845 C GLY A 54 13.520 15.299 -11.925 1.00 54.43 C ATOM 846 O GLY A 54 14.014 14.172 -11.910 1.00 61.12 O ATOM 0 H GLY A 54 12.714 13.842 -10.013 1.00 42.35 H new ATOM 0 HA2 GLY A 54 11.495 15.922 -11.628 1.00 31.33 H new ATOM 0 HA3 GLY A 54 12.613 16.516 -10.417 1.00 31.33 H new ATOM 850 N TYR A 55 13.958 16.271 -12.718 1.00 61.22 N ATOM 851 CA TYR A 55 15.069 16.063 -13.639 1.00 24.31 C ATOM 852 C TYR A 55 16.381 16.544 -13.027 1.00 4.20 C ATOM 853 O TYR A 55 16.438 17.606 -12.407 1.00 10.23 O ATOM 854 CB TYR A 55 14.810 16.793 -14.957 1.00 43.45 C ATOM 855 CG TYR A 55 13.616 16.264 -15.718 1.00 54.33 C ATOM 856 CD1 TYR A 55 12.329 16.689 -15.412 1.00 54.53 C ATOM 857 CD2 TYR A 55 13.773 15.339 -16.742 1.00 64.33 C ATOM 858 CE1 TYR A 55 11.234 16.208 -16.104 1.00 51.42 C ATOM 859 CE2 TYR A 55 12.685 14.853 -17.441 1.00 13.35 C ATOM 860 CZ TYR A 55 11.417 15.291 -17.118 1.00 21.04 C ATOM 861 OH TYR A 55 10.330 14.809 -17.810 1.00 31.22 O ATOM 0 H TYR A 55 13.561 17.210 -12.741 1.00 61.22 H new ATOM 0 HA TYR A 55 15.151 14.994 -13.834 1.00 24.31 H new ATOM 0 HB2 TYR A 55 14.659 17.853 -14.752 1.00 43.45 H new ATOM 0 HB3 TYR A 55 15.696 16.713 -15.587 1.00 43.45 H new ATOM 0 HD1 TYR A 55 12.182 17.408 -14.619 1.00 54.53 H new ATOM 0 HD2 TYR A 55 14.764 14.993 -16.997 1.00 64.33 H new ATOM 0 HE1 TYR A 55 10.240 16.548 -15.852 1.00 51.42 H new ATOM 0 HE2 TYR A 55 12.826 14.135 -18.235 1.00 13.35 H new ATOM 0 HH TYR A 55 10.632 14.173 -18.492 1.00 31.22 H new ATOM 871 N VAL A 56 17.436 15.755 -13.207 1.00 34.21 N ATOM 872 CA VAL A 56 18.749 16.100 -12.675 1.00 34.41 C ATOM 873 C VAL A 56 19.861 15.599 -13.590 1.00 11.24 C ATOM 874 O VAL A 56 19.688 14.652 -14.357 1.00 44.22 O ATOM 875 CB VAL A 56 18.955 15.513 -11.266 1.00 11.13 C ATOM 876 CG1 VAL A 56 18.199 16.332 -10.230 1.00 71.15 C ATOM 877 CG2 VAL A 56 18.520 14.056 -11.227 1.00 13.04 C ATOM 0 H VAL A 56 17.407 14.872 -13.717 1.00 34.21 H new ATOM 0 HA VAL A 56 18.792 17.188 -12.617 1.00 34.41 H new ATOM 0 HB VAL A 56 20.017 15.558 -11.025 1.00 11.13 H new ATOM 0 HG11 VAL A 56 18.356 15.902 -9.241 1.00 71.15 H new ATOM 0 HG12 VAL A 56 18.564 17.359 -10.242 1.00 71.15 H new ATOM 0 HG13 VAL A 56 17.135 16.322 -10.465 1.00 71.15 H new ATOM 0 HG21 VAL A 56 18.673 13.657 -10.224 1.00 13.04 H new ATOM 0 HG22 VAL A 56 17.464 13.984 -11.489 1.00 13.04 H new ATOM 0 HG23 VAL A 56 19.111 13.481 -11.940 1.00 13.04 H new ATOM 887 N PRO A 57 21.032 16.249 -13.507 1.00 75.25 N ATOM 888 CA PRO A 57 22.197 15.887 -14.320 1.00 75.52 C ATOM 889 C PRO A 57 22.798 14.548 -13.906 1.00 64.04 C ATOM 890 O PRO A 57 22.951 14.266 -12.718 1.00 2.21 O ATOM 891 CB PRO A 57 23.185 17.024 -14.050 1.00 31.30 C ATOM 892 CG PRO A 57 22.800 17.550 -12.711 1.00 31.05 C ATOM 893 CD PRO A 57 21.308 17.387 -12.615 1.00 22.55 C ATOM 0 HA PRO A 57 21.940 15.770 -15.373 1.00 75.52 H new ATOM 0 HB2 PRO A 57 24.214 16.664 -14.053 1.00 31.30 H new ATOM 0 HB3 PRO A 57 23.116 17.798 -14.814 1.00 31.30 H new ATOM 0 HG2 PRO A 57 23.304 17.001 -11.916 1.00 31.05 H new ATOM 0 HG3 PRO A 57 23.086 18.597 -12.606 1.00 31.05 H new ATOM 0 HD2 PRO A 57 20.991 17.182 -11.592 1.00 22.55 H new ATOM 0 HD3 PRO A 57 20.784 18.287 -12.937 1.00 22.55 H new ATOM 901 N SER A 58 23.139 13.727 -14.894 1.00 72.45 N ATOM 902 CA SER A 58 23.721 12.416 -14.632 1.00 62.34 C ATOM 903 C SER A 58 25.205 12.537 -14.300 1.00 43.24 C ATOM 904 O SER A 58 25.767 11.696 -13.599 1.00 33.13 O ATOM 905 CB SER A 58 23.531 11.499 -15.842 1.00 61.32 C ATOM 906 OG SER A 58 23.973 10.182 -15.559 1.00 13.43 O ATOM 0 H SER A 58 23.022 13.947 -15.883 1.00 72.45 H new ATOM 0 HA SER A 58 23.208 11.983 -13.773 1.00 62.34 H new ATOM 0 HB2 SER A 58 22.479 11.480 -16.126 1.00 61.32 H new ATOM 0 HB3 SER A 58 24.084 11.896 -16.694 1.00 61.32 H new ATOM 0 HG SER A 58 23.199 9.611 -15.370 1.00 13.43 H new ATOM 912 N SER A 59 25.835 13.591 -14.810 1.00 60.02 N ATOM 913 CA SER A 59 27.255 13.822 -14.572 1.00 11.02 C ATOM 914 C SER A 59 27.538 13.970 -13.080 1.00 64.20 C ATOM 915 O SER A 59 28.678 13.827 -12.636 1.00 72.10 O ATOM 916 CB SER A 59 27.722 15.074 -15.318 1.00 31.44 C ATOM 917 OG SER A 59 26.642 15.961 -15.551 1.00 71.20 O ATOM 0 H SER A 59 25.384 14.298 -15.391 1.00 60.02 H new ATOM 0 HA SER A 59 27.806 12.959 -14.945 1.00 11.02 H new ATOM 0 HB2 SER A 59 28.494 15.580 -14.738 1.00 31.44 H new ATOM 0 HB3 SER A 59 28.173 14.788 -16.268 1.00 31.44 H new ATOM 0 HG SER A 59 26.585 16.607 -14.816 1.00 71.20 H new ATOM 923 N TYR A 60 26.494 14.257 -12.312 1.00 34.14 N ATOM 924 CA TYR A 60 26.629 14.427 -10.870 1.00 20.12 C ATOM 925 C TYR A 60 25.907 13.312 -10.120 1.00 14.14 C ATOM 926 O TYR A 60 25.543 13.467 -8.953 1.00 75.11 O ATOM 927 CB TYR A 60 26.076 15.787 -10.441 1.00 54.03 C ATOM 928 CG TYR A 60 26.734 16.956 -11.139 1.00 21.31 C ATOM 929 CD1 TYR A 60 26.538 17.180 -12.496 1.00 4.51 C ATOM 930 CD2 TYR A 60 27.552 17.836 -10.440 1.00 75.14 C ATOM 931 CE1 TYR A 60 27.139 18.246 -13.137 1.00 53.53 C ATOM 932 CE2 TYR A 60 28.155 18.906 -11.073 1.00 72.42 C ATOM 933 CZ TYR A 60 27.946 19.106 -12.422 1.00 12.33 C ATOM 934 OH TYR A 60 28.544 20.170 -13.057 1.00 5.23 O ATOM 0 H TYR A 60 25.544 14.377 -12.664 1.00 34.14 H new ATOM 0 HA TYR A 60 27.689 14.379 -10.622 1.00 20.12 H new ATOM 0 HB2 TYR A 60 25.004 15.813 -10.639 1.00 54.03 H new ATOM 0 HB3 TYR A 60 26.204 15.899 -9.364 1.00 54.03 H new ATOM 0 HD1 TYR A 60 25.905 16.510 -13.059 1.00 4.51 H new ATOM 0 HD2 TYR A 60 27.719 17.681 -9.384 1.00 75.14 H new ATOM 0 HE1 TYR A 60 26.978 18.405 -14.193 1.00 53.53 H new ATOM 0 HE2 TYR A 60 28.786 19.582 -10.515 1.00 72.42 H new ATOM 0 HH TYR A 60 29.078 20.678 -12.411 1.00 5.23 H new ATOM 944 N LEU A 61 25.703 12.188 -10.797 1.00 72.22 N ATOM 945 CA LEU A 61 25.024 11.045 -10.196 1.00 65.43 C ATOM 946 C LEU A 61 25.728 9.741 -10.561 1.00 33.04 C ATOM 947 O LEU A 61 26.065 9.509 -11.722 1.00 21.35 O ATOM 948 CB LEU A 61 23.565 10.995 -10.652 1.00 62.13 C ATOM 949 CG LEU A 61 22.605 11.945 -9.935 1.00 61.41 C ATOM 950 CD1 LEU A 61 21.300 12.067 -10.706 1.00 60.02 C ATOM 951 CD2 LEU A 61 22.344 11.466 -8.514 1.00 44.51 C ATOM 0 H LEU A 61 25.998 12.043 -11.763 1.00 72.22 H new ATOM 0 HA LEU A 61 25.055 11.163 -9.113 1.00 65.43 H new ATOM 0 HB2 LEU A 61 23.531 11.214 -11.719 1.00 62.13 H new ATOM 0 HB3 LEU A 61 23.200 9.976 -10.523 1.00 62.13 H new ATOM 0 HG LEU A 61 23.068 12.931 -9.886 1.00 61.41 H new ATOM 0 HD11 LEU A 61 20.629 12.747 -10.181 1.00 60.02 H new ATOM 0 HD12 LEU A 61 21.502 12.456 -11.704 1.00 60.02 H new ATOM 0 HD13 LEU A 61 20.832 11.086 -10.787 1.00 60.02 H new ATOM 0 HD21 LEU A 61 21.659 12.154 -8.018 1.00 44.51 H new ATOM 0 HD22 LEU A 61 21.902 10.470 -8.541 1.00 44.51 H new ATOM 0 HD23 LEU A 61 23.284 11.431 -7.963 1.00 44.51 H new ATOM 963 N VAL A 62 25.944 8.892 -9.561 1.00 20.20 N ATOM 964 CA VAL A 62 26.604 7.610 -9.776 1.00 71.43 C ATOM 965 C VAL A 62 25.651 6.450 -9.511 1.00 31.32 C ATOM 966 O VAL A 62 24.902 6.461 -8.535 1.00 33.32 O ATOM 967 CB VAL A 62 27.843 7.458 -8.875 1.00 25.02 C ATOM 968 CG1 VAL A 62 27.428 7.257 -7.425 1.00 64.34 C ATOM 969 CG2 VAL A 62 28.713 6.305 -9.354 1.00 55.12 C ATOM 0 H VAL A 62 25.671 9.069 -8.594 1.00 20.20 H new ATOM 0 HA VAL A 62 26.918 7.587 -10.819 1.00 71.43 H new ATOM 0 HB VAL A 62 28.429 8.375 -8.936 1.00 25.02 H new ATOM 0 HG11 VAL A 62 28.317 7.151 -6.803 1.00 64.34 H new ATOM 0 HG12 VAL A 62 26.850 8.118 -7.089 1.00 64.34 H new ATOM 0 HG13 VAL A 62 26.819 6.357 -7.342 1.00 64.34 H new ATOM 0 HG21 VAL A 62 29.584 6.213 -8.705 1.00 55.12 H new ATOM 0 HG22 VAL A 62 28.139 5.379 -9.324 1.00 55.12 H new ATOM 0 HG23 VAL A 62 29.040 6.496 -10.376 1.00 55.12 H new ATOM 979 N GLU A 63 25.686 5.450 -10.386 1.00 72.13 N ATOM 980 CA GLU A 63 24.824 4.282 -10.246 1.00 22.13 C ATOM 981 C GLU A 63 25.163 3.505 -8.977 1.00 1.45 C ATOM 982 O GLU A 63 26.257 2.955 -8.844 1.00 53.45 O ATOM 983 CB GLU A 63 24.961 3.370 -11.467 1.00 31.24 C ATOM 984 CG GLU A 63 23.670 3.205 -12.251 1.00 31.33 C ATOM 985 CD GLU A 63 23.912 2.867 -13.709 1.00 21.51 C ATOM 986 OE1 GLU A 63 24.867 3.419 -14.295 1.00 30.34 O ATOM 987 OE2 GLU A 63 23.147 2.051 -14.264 1.00 63.52 O ATOM 0 H GLU A 63 26.302 5.425 -11.199 1.00 72.13 H new ATOM 0 HA GLU A 63 23.793 4.629 -10.175 1.00 22.13 H new ATOM 0 HB2 GLU A 63 25.728 3.774 -12.127 1.00 31.24 H new ATOM 0 HB3 GLU A 63 25.306 2.389 -11.140 1.00 31.24 H new ATOM 0 HG2 GLU A 63 23.070 2.418 -11.794 1.00 31.33 H new ATOM 0 HG3 GLU A 63 23.090 4.126 -12.187 1.00 31.33 H new ATOM 994 N LYS A 64 24.217 3.465 -8.044 1.00 42.43 N ATOM 995 CA LYS A 64 24.413 2.757 -6.785 1.00 73.42 C ATOM 996 C LYS A 64 24.261 1.251 -6.979 1.00 15.31 C ATOM 997 O LYS A 64 23.153 0.717 -6.921 1.00 51.33 O ATOM 998 CB LYS A 64 23.412 3.250 -5.738 1.00 4.45 C ATOM 999 CG LYS A 64 23.720 2.771 -4.329 1.00 51.14 C ATOM 1000 CD LYS A 64 22.864 1.575 -3.948 1.00 51.01 C ATOM 1001 CE LYS A 64 22.014 1.866 -2.721 1.00 3.54 C ATOM 1002 NZ LYS A 64 20.637 2.296 -3.089 1.00 34.42 N ATOM 0 H LYS A 64 23.306 3.915 -8.137 1.00 42.43 H new ATOM 0 HA LYS A 64 25.425 2.961 -6.436 1.00 73.42 H new ATOM 0 HB2 LYS A 64 23.397 4.340 -5.747 1.00 4.45 H new ATOM 0 HB3 LYS A 64 22.413 2.915 -6.016 1.00 4.45 H new ATOM 0 HG2 LYS A 64 24.774 2.503 -4.257 1.00 51.14 H new ATOM 0 HG3 LYS A 64 23.548 3.583 -3.622 1.00 51.14 H new ATOM 0 HD2 LYS A 64 22.218 1.307 -4.784 1.00 51.01 H new ATOM 0 HD3 LYS A 64 23.505 0.715 -3.752 1.00 51.01 H new ATOM 0 HE2 LYS A 64 21.961 0.974 -2.096 1.00 3.54 H new ATOM 0 HE3 LYS A 64 22.491 2.645 -2.126 1.00 3.54 H new ATOM 0 HZ1 LYS A 64 20.085 2.468 -2.225 1.00 34.42 H new ATOM 0 HZ2 LYS A 64 20.685 3.171 -3.650 1.00 34.42 H new ATOM 0 HZ3 LYS A 64 20.179 1.550 -3.650 1.00 34.42 H new