USER MOD reduce.3.24.130724 H: found=0, std=0, add=1142, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 967 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 93 TYR OH : rot -71:sc= 0.981 USER MOD Set 1.2: A 131 ASN :FLIP amide:sc= -1.44! C(o=-3!,f=-0.46!) USER MOD Set 2.1: A 79 TYR OH : rot -113:sc= 2.37 USER MOD Set 2.2: A 106 HIS : no HE2:sc= 0.953 K(o=5.5,f=-4.5!) USER MOD Set 2.3: A 107 CYS SG : rot 73:sc= 2.18 USER MOD Set 3.1: A 103 MET CE :methyl -141:sc= -0.168 (180deg=-1.32) USER MOD Set 3.2: A 117 MET CE :methyl 168:sc= -1.85 (180deg=-2.18) USER MOD Set 4.1: A 84 LYS NZ :NH3+ 169:sc= -0.373 (180deg=-2.36) USER MOD Set 4.2: A 95 ASN : amide:sc= 1.45 K(o=1.1,f=-16!) USER MOD Set 5.1: A 77 TYR OH : rot 166:sc= -0.339 USER MOD Set 5.2: A 110 ASN :FLIP amide:sc= 1.35 F(o=-0.45!,f=1) USER MOD Set 6.1: A 38 CYS SG : rot -5:sc= -0.778 USER MOD Set 6.2: A 63 LYS NZ :NH3+ -142:sc= 0.827 (180deg=-0.136) USER MOD Set 7.1: A 16 TYR OH : rot 180:sc= 0.61 USER MOD Set 7.2: A 133 SER OG : rot 169:sc= 0.669 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot 152:sc= 0.593 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc=-0.00279 USER MOD Single : A 29 SER OG : rot 90:sc= 0.197 USER MOD Single : A 32 HIS : no HD1:sc= -0.862 X(o=-0.86,f=-0.83) USER MOD Single : A 33 CYS SG : rot 124:sc= 0.773 USER MOD Single : A 35 SER OG : rot -119:sc= 1.29 USER MOD Single : A 40 MET CE :methyl -170:sc= 0 (180deg=-0.108) USER MOD Single : A 49 LYS NZ :NH3+ -170:sc=-0.00405 (180deg=-0.113) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 168:sc= -0.0141 (180deg=-0.162) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 61 GLN : amide:sc= 0.232 K(o=0.23,f=-1.1) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 64 LYS NZ :NH3+ 148:sc= 0.793 (180deg=0.286) USER MOD Single : A 65 SER OG : rot -99:sc= 1.4 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0326 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HE2:sc= -1.04 K(o=-1,f=-1.7!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot -93:sc= -2.63! USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 98 LYS NZ :NH3+ -175:sc= 1.21 (180deg=1.2) USER MOD Single : A 99 SER OG : rot 83:sc= 0.969 USER MOD Single : A 104 LYS NZ :NH3+ 160:sc= 1.22 (180deg=0.953) USER MOD Single : A 105 SER OG : rot 83:sc= 0.141 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 171:sc= -0.148 USER MOD Single : A 122 CYS SG : rot 149:sc= -2.32! USER MOD Single : A 128 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.25) USER MOD Single : A 135 MET CE :methyl -173:sc= -0.468 (180deg=-0.693) USER MOD Single : A 143 THR OG1 : rot -46:sc= 0.585 USER MOD Single : A 146 LYS NZ :NH3+ -172:sc= 1.28 (180deg=1.16) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot -31:sc= 0.117 USER MOD ----------------------------------------------------------------- ATOM 125 N ARG A 13 -14.914 1.076 0.204 1.00 74.51 N ATOM 126 CA ARG A 13 -13.745 0.464 0.798 1.00 3.34 C ATOM 127 C ARG A 13 -12.682 0.329 -0.254 1.00 11.51 C ATOM 128 O ARG A 13 -11.647 0.979 -0.190 1.00 60.24 O ATOM 129 CB ARG A 13 -14.065 -0.912 1.405 1.00 71.10 C ATOM 130 CG ARG A 13 -15.142 -0.935 2.501 1.00 30.13 C ATOM 131 CD ARG A 13 -14.776 -0.105 3.746 1.00 3.12 C ATOM 132 NE ARG A 13 -14.723 1.355 3.502 1.00 5.01 N ATOM 133 CZ ARG A 13 -14.882 2.296 4.438 1.00 4.10 C ATOM 134 NH1 ARG A 13 -15.275 1.958 5.665 1.00 73.41 N ATOM 135 NH2 ARG A 13 -14.713 3.579 4.131 1.00 14.55 N ATOM 0 HA ARG A 13 -13.396 1.101 1.610 1.00 3.34 H new ATOM 0 HB2 ARG A 13 -14.380 -1.577 0.601 1.00 71.10 H new ATOM 0 HB3 ARG A 13 -13.146 -1.326 1.819 1.00 71.10 H new ATOM 0 HG2 ARG A 13 -16.078 -0.559 2.087 1.00 30.13 H new ATOM 0 HG3 ARG A 13 -15.319 -1.967 2.803 1.00 30.13 H new ATOM 0 HD2 ARG A 13 -15.505 -0.306 4.531 1.00 3.12 H new ATOM 0 HD3 ARG A 13 -13.807 -0.436 4.119 1.00 3.12 H new ATOM 0 HE ARG A 13 -14.552 1.666 2.546 1.00 5.01 H new ATOM 0 HH11 ARG A 13 -15.455 0.980 5.892 1.00 73.41 H new ATOM 0 HH12 ARG A 13 -15.396 2.677 6.378 1.00 73.41 H new ATOM 0 HH21 ARG A 13 -14.461 3.847 3.179 1.00 14.55 H new ATOM 0 HH22 ARG A 13 -14.835 4.295 4.847 1.00 14.55 H new ATOM 147 N ILE A 14 -12.961 -0.482 -1.235 1.00 63.34 N ATOM 148 CA ILE A 14 -12.047 -0.716 -2.304 1.00 62.34 C ATOM 149 C ILE A 14 -12.599 -0.171 -3.595 1.00 12.02 C ATOM 150 O ILE A 14 -13.676 -0.552 -4.050 1.00 53.04 O ATOM 151 CB ILE A 14 -11.685 -2.214 -2.445 1.00 15.43 C ATOM 152 CG1 ILE A 14 -10.920 -2.674 -1.206 1.00 62.44 C ATOM 153 CG2 ILE A 14 -10.869 -2.470 -3.707 1.00 32.33 C ATOM 154 CD1 ILE A 14 -10.510 -4.111 -1.245 1.00 12.31 C ATOM 0 H ILE A 14 -13.836 -1.000 -1.311 1.00 63.34 H new ATOM 0 HA ILE A 14 -11.123 -0.188 -2.067 1.00 62.34 H new ATOM 0 HB ILE A 14 -12.608 -2.788 -2.531 1.00 15.43 H new ATOM 0 HG12 ILE A 14 -10.030 -2.056 -1.090 1.00 62.44 H new ATOM 0 HG13 ILE A 14 -11.540 -2.507 -0.325 1.00 62.44 H new ATOM 0 HG21 ILE A 14 -10.631 -3.531 -3.777 1.00 32.33 H new ATOM 0 HG22 ILE A 14 -11.447 -2.169 -4.581 1.00 32.33 H new ATOM 0 HG23 ILE A 14 -9.945 -1.893 -3.666 1.00 32.33 H new ATOM 0 HD11 ILE A 14 -9.972 -4.361 -0.330 1.00 12.31 H new ATOM 0 HD12 ILE A 14 -11.396 -4.740 -1.328 1.00 12.31 H new ATOM 0 HD13 ILE A 14 -9.862 -4.281 -2.105 1.00 12.31 H new ATOM 161 N THR A 15 -11.876 0.734 -4.154 1.00 45.12 N ATOM 162 CA THR A 15 -12.237 1.342 -5.382 1.00 54.03 C ATOM 163 C THR A 15 -11.313 0.835 -6.479 1.00 64.32 C ATOM 164 O THR A 15 -10.092 1.032 -6.414 1.00 0.24 O ATOM 165 CB THR A 15 -12.118 2.867 -5.253 1.00 52.04 C ATOM 166 OG1 THR A 15 -12.938 3.299 -4.153 1.00 73.24 O ATOM 167 CG2 THR A 15 -12.567 3.566 -6.526 1.00 21.35 C ATOM 0 H THR A 15 -11.000 1.078 -3.761 1.00 45.12 H new ATOM 0 HA THR A 15 -13.267 1.089 -5.634 1.00 54.03 H new ATOM 0 HB THR A 15 -11.073 3.125 -5.079 1.00 52.04 H new ATOM 0 HG1 THR A 15 -12.871 4.272 -4.057 1.00 73.24 H new ATOM 0 HG21 THR A 15 -12.471 4.645 -6.402 1.00 21.35 H new ATOM 0 HG22 THR A 15 -11.945 3.239 -7.359 1.00 21.35 H new ATOM 0 HG23 THR A 15 -13.608 3.316 -6.731 1.00 21.35 H new ATOM 173 N TYR A 16 -11.873 0.155 -7.444 1.00 30.13 N ATOM 174 CA TYR A 16 -11.103 -0.335 -8.553 1.00 1.53 C ATOM 175 C TYR A 16 -11.064 0.705 -9.637 1.00 71.51 C ATOM 176 O TYR A 16 -12.095 1.057 -10.211 1.00 14.33 O ATOM 177 CB TYR A 16 -11.665 -1.648 -9.113 1.00 74.14 C ATOM 178 CG TYR A 16 -11.613 -2.817 -8.157 1.00 23.54 C ATOM 179 CD1 TYR A 16 -10.404 -3.416 -7.840 1.00 45.13 C ATOM 180 CD2 TYR A 16 -12.769 -3.330 -7.582 1.00 23.10 C ATOM 181 CE1 TYR A 16 -10.340 -4.488 -6.978 1.00 32.24 C ATOM 182 CE2 TYR A 16 -12.716 -4.410 -6.719 1.00 2.13 C ATOM 183 CZ TYR A 16 -11.497 -4.985 -6.423 1.00 35.14 C ATOM 184 OH TYR A 16 -11.438 -6.068 -5.568 1.00 65.54 O ATOM 0 H TYR A 16 -12.867 -0.073 -7.483 1.00 30.13 H new ATOM 0 HA TYR A 16 -10.095 -0.539 -8.192 1.00 1.53 H new ATOM 0 HB2 TYR A 16 -12.701 -1.486 -9.411 1.00 74.14 H new ATOM 0 HB3 TYR A 16 -11.111 -1.909 -10.015 1.00 74.14 H new ATOM 0 HD1 TYR A 16 -9.494 -3.034 -8.278 1.00 45.13 H new ATOM 0 HD2 TYR A 16 -13.723 -2.879 -7.812 1.00 23.10 H new ATOM 0 HE1 TYR A 16 -9.387 -4.936 -6.739 1.00 32.24 H new ATOM 0 HE2 TYR A 16 -13.622 -4.800 -6.280 1.00 2.13 H new ATOM 0 HH TYR A 16 -12.342 -6.293 -5.263 1.00 65.54 H new ATOM 194 N VAL A 17 -9.903 1.209 -9.898 1.00 55.15 N ATOM 195 CA VAL A 17 -9.728 2.185 -10.927 1.00 32.23 C ATOM 196 C VAL A 17 -8.746 1.649 -11.946 1.00 42.03 C ATOM 197 O VAL A 17 -7.785 0.964 -11.593 1.00 13.30 O ATOM 198 CB VAL A 17 -9.266 3.562 -10.354 1.00 1.44 C ATOM 199 CG1 VAL A 17 -7.952 3.444 -9.616 1.00 33.25 C ATOM 200 CG2 VAL A 17 -9.184 4.633 -11.441 1.00 63.32 C ATOM 0 H VAL A 17 -9.047 0.957 -9.404 1.00 55.15 H new ATOM 0 HA VAL A 17 -10.688 2.366 -11.410 1.00 32.23 H new ATOM 0 HB VAL A 17 -10.026 3.876 -9.639 1.00 1.44 H new ATOM 0 HG11 VAL A 17 -7.662 4.422 -9.231 1.00 33.25 H new ATOM 0 HG12 VAL A 17 -8.062 2.746 -8.786 1.00 33.25 H new ATOM 0 HG13 VAL A 17 -7.183 3.080 -10.298 1.00 33.25 H new ATOM 0 HG21 VAL A 17 -8.859 5.575 -11.000 1.00 63.32 H new ATOM 0 HG22 VAL A 17 -8.469 4.324 -12.203 1.00 63.32 H new ATOM 0 HG23 VAL A 17 -10.165 4.765 -11.896 1.00 63.32 H new ATOM 206 N LYS A 18 -9.000 1.905 -13.183 1.00 13.12 N ATOM 207 CA LYS A 18 -8.146 1.424 -14.231 1.00 12.35 C ATOM 208 C LYS A 18 -7.065 2.440 -14.553 1.00 31.30 C ATOM 209 O LYS A 18 -7.358 3.594 -14.876 1.00 32.30 O ATOM 210 CB LYS A 18 -8.964 1.092 -15.464 1.00 34.12 C ATOM 211 CG LYS A 18 -8.150 0.587 -16.647 1.00 55.44 C ATOM 212 CD LYS A 18 -9.046 0.188 -17.806 1.00 71.10 C ATOM 213 CE LYS A 18 -9.937 1.335 -18.266 1.00 74.31 C ATOM 214 NZ LYS A 18 -10.808 0.938 -19.381 1.00 1.22 N ATOM 0 H LYS A 18 -9.800 2.451 -13.503 1.00 13.12 H new ATOM 0 HA LYS A 18 -7.656 0.513 -13.889 1.00 12.35 H new ATOM 0 HB2 LYS A 18 -9.704 0.337 -15.200 1.00 34.12 H new ATOM 0 HB3 LYS A 18 -9.512 1.983 -15.771 1.00 34.12 H new ATOM 0 HG2 LYS A 18 -7.457 1.363 -16.971 1.00 55.44 H new ATOM 0 HG3 LYS A 18 -7.549 -0.268 -16.338 1.00 55.44 H new ATOM 0 HD2 LYS A 18 -8.430 -0.148 -18.640 1.00 71.10 H new ATOM 0 HD3 LYS A 18 -9.668 -0.656 -17.508 1.00 71.10 H new ATOM 0 HE2 LYS A 18 -10.549 1.677 -17.431 1.00 74.31 H new ATOM 0 HE3 LYS A 18 -9.316 2.177 -18.572 1.00 74.31 H new ATOM 0 HZ1 LYS A 18 -11.398 1.746 -19.665 1.00 1.22 H new ATOM 0 HZ2 LYS A 18 -10.224 0.636 -20.187 1.00 1.22 H new ATOM 0 HZ3 LYS A 18 -11.419 0.151 -19.081 1.00 1.22 H new ATOM 228 N GLY A 19 -5.833 2.012 -14.460 1.00 12.44 N ATOM 229 CA GLY A 19 -4.720 2.890 -14.747 1.00 12.04 C ATOM 230 C GLY A 19 -3.499 2.537 -13.938 1.00 21.21 C ATOM 231 O GLY A 19 -3.531 1.595 -13.153 1.00 4.20 O ATOM 0 H GLY A 19 -5.571 1.064 -14.189 1.00 12.44 H new ATOM 0 HA2 GLY A 19 -4.480 2.835 -15.809 1.00 12.04 H new ATOM 0 HA3 GLY A 19 -5.008 3.920 -14.538 1.00 12.04 H new ATOM 235 N ASP A 20 -2.429 3.286 -14.141 1.00 33.20 N ATOM 236 CA ASP A 20 -1.179 3.102 -13.419 1.00 22.11 C ATOM 237 C ASP A 20 -1.281 3.701 -12.038 1.00 20.11 C ATOM 238 O ASP A 20 -1.877 4.766 -11.860 1.00 21.42 O ATOM 239 CB ASP A 20 -0.026 3.781 -14.152 1.00 4.31 C ATOM 240 CG ASP A 20 0.393 3.100 -15.427 1.00 55.23 C ATOM 241 OD1 ASP A 20 -0.276 3.289 -16.467 1.00 50.12 O ATOM 242 OD2 ASP A 20 1.414 2.371 -15.419 1.00 74.23 O ATOM 0 H ASP A 20 -2.402 4.048 -14.819 1.00 33.20 H new ATOM 0 HA ASP A 20 -0.990 2.031 -13.351 1.00 22.11 H new ATOM 0 HB2 ASP A 20 -0.312 4.807 -14.381 1.00 4.31 H new ATOM 0 HB3 ASP A 20 0.833 3.831 -13.483 1.00 4.31 H new ATOM 247 N LEU A 21 -0.669 3.046 -11.075 1.00 64.32 N ATOM 248 CA LEU A 21 -0.729 3.452 -9.674 1.00 2.43 C ATOM 249 C LEU A 21 -0.188 4.866 -9.450 1.00 22.10 C ATOM 250 O LEU A 21 -0.744 5.634 -8.681 1.00 63.01 O ATOM 251 CB LEU A 21 0.053 2.458 -8.820 1.00 3.14 C ATOM 252 CG LEU A 21 0.068 2.714 -7.321 1.00 12.33 C ATOM 253 CD1 LEU A 21 -1.329 2.648 -6.745 1.00 3.14 C ATOM 254 CD2 LEU A 21 0.975 1.732 -6.633 1.00 54.41 C ATOM 0 H LEU A 21 -0.109 2.209 -11.236 1.00 64.32 H new ATOM 0 HA LEU A 21 -1.779 3.458 -9.380 1.00 2.43 H new ATOM 0 HB2 LEU A 21 -0.358 1.463 -8.992 1.00 3.14 H new ATOM 0 HB3 LEU A 21 1.084 2.442 -9.173 1.00 3.14 H new ATOM 0 HG LEU A 21 0.452 3.720 -7.150 1.00 12.33 H new ATOM 0 HD11 LEU A 21 -1.289 2.835 -5.672 1.00 3.14 H new ATOM 0 HD12 LEU A 21 -1.955 3.402 -7.222 1.00 3.14 H new ATOM 0 HD13 LEU A 21 -1.751 1.659 -6.926 1.00 3.14 H new ATOM 0 HD21 LEU A 21 0.976 1.927 -5.561 1.00 54.41 H new ATOM 0 HD22 LEU A 21 0.620 0.718 -6.817 1.00 54.41 H new ATOM 0 HD23 LEU A 21 1.988 1.838 -7.022 1.00 54.41 H new ATOM 262 N PHE A 22 0.865 5.209 -10.161 1.00 2.55 N ATOM 263 CA PHE A 22 1.551 6.490 -9.975 1.00 14.20 C ATOM 264 C PHE A 22 0.778 7.693 -10.527 1.00 24.13 C ATOM 265 O PHE A 22 1.224 8.831 -10.413 1.00 41.53 O ATOM 266 CB PHE A 22 2.987 6.428 -10.509 1.00 31.13 C ATOM 267 CG PHE A 22 3.836 5.448 -9.747 1.00 31.35 C ATOM 268 CD1 PHE A 22 3.911 4.118 -10.131 1.00 23.21 C ATOM 269 CD2 PHE A 22 4.540 5.856 -8.628 1.00 32.00 C ATOM 270 CE1 PHE A 22 4.668 3.226 -9.419 1.00 64.20 C ATOM 271 CE2 PHE A 22 5.300 4.961 -7.907 1.00 23.31 C ATOM 272 CZ PHE A 22 5.363 3.642 -8.301 1.00 10.32 C ATOM 0 H PHE A 22 1.276 4.618 -10.883 1.00 2.55 H new ATOM 0 HA PHE A 22 1.597 6.657 -8.899 1.00 14.20 H new ATOM 0 HB2 PHE A 22 2.969 6.148 -11.562 1.00 31.13 H new ATOM 0 HB3 PHE A 22 3.438 7.419 -10.450 1.00 31.13 H new ATOM 0 HD1 PHE A 22 3.367 3.782 -11.001 1.00 23.21 H new ATOM 0 HD2 PHE A 22 4.493 6.889 -8.316 1.00 32.00 H new ATOM 0 HE1 PHE A 22 4.721 2.194 -9.733 1.00 64.20 H new ATOM 0 HE2 PHE A 22 5.845 5.292 -7.035 1.00 23.31 H new ATOM 0 HZ PHE A 22 5.954 2.936 -7.737 1.00 10.32 H new ATOM 282 N ALA A 23 -0.388 7.438 -11.090 1.00 63.12 N ATOM 283 CA ALA A 23 -1.241 8.485 -11.641 1.00 22.15 C ATOM 284 C ALA A 23 -2.153 9.086 -10.549 1.00 41.13 C ATOM 285 O ALA A 23 -3.121 9.804 -10.846 1.00 64.45 O ATOM 286 CB ALA A 23 -2.072 7.921 -12.788 1.00 61.12 C ATOM 0 H ALA A 23 -0.775 6.499 -11.180 1.00 63.12 H new ATOM 0 HA ALA A 23 -0.609 9.287 -12.023 1.00 22.15 H new ATOM 0 HB1 ALA A 23 -2.708 8.706 -13.197 1.00 61.12 H new ATOM 0 HB2 ALA A 23 -1.409 7.548 -13.568 1.00 61.12 H new ATOM 0 HB3 ALA A 23 -2.694 7.105 -12.420 1.00 61.12 H new ATOM 292 N CYS A 24 -1.847 8.780 -9.301 1.00 50.34 N ATOM 293 CA CYS A 24 -2.626 9.249 -8.169 1.00 71.24 C ATOM 294 C CYS A 24 -2.164 10.658 -7.694 1.00 63.12 C ATOM 295 O CYS A 24 -1.042 11.098 -8.022 1.00 42.12 O ATOM 296 CB CYS A 24 -2.526 8.230 -7.030 1.00 31.01 C ATOM 297 SG CYS A 24 -0.863 7.954 -6.397 1.00 51.14 S ATOM 0 H CYS A 24 -1.050 8.198 -9.043 1.00 50.34 H new ATOM 0 HA CYS A 24 -3.666 9.346 -8.481 1.00 71.24 H new ATOM 0 HB2 CYS A 24 -3.160 8.563 -6.208 1.00 31.01 H new ATOM 0 HB3 CYS A 24 -2.928 7.279 -7.378 1.00 31.01 H new ATOM 0 HG CYS A 24 -0.928 7.586 -5.152 1.00 51.14 H new ATOM 303 N PRO A 25 -3.044 11.394 -6.938 1.00 32.13 N ATOM 304 CA PRO A 25 -2.742 12.744 -6.394 1.00 23.23 C ATOM 305 C PRO A 25 -1.503 12.790 -5.475 1.00 15.31 C ATOM 306 O PRO A 25 -1.037 11.772 -4.997 1.00 55.23 O ATOM 307 CB PRO A 25 -3.992 13.081 -5.569 1.00 50.31 C ATOM 308 CG PRO A 25 -5.070 12.258 -6.165 1.00 61.35 C ATOM 309 CD PRO A 25 -4.422 10.974 -6.579 1.00 71.41 C ATOM 0 HA PRO A 25 -2.516 13.439 -7.203 1.00 23.23 H new ATOM 0 HB2 PRO A 25 -3.847 12.841 -4.516 1.00 50.31 H new ATOM 0 HB3 PRO A 25 -4.228 14.144 -5.625 1.00 50.31 H new ATOM 0 HG2 PRO A 25 -5.868 12.079 -5.445 1.00 61.35 H new ATOM 0 HG3 PRO A 25 -5.520 12.763 -7.020 1.00 61.35 H new ATOM 0 HD2 PRO A 25 -4.423 10.243 -5.771 1.00 71.41 H new ATOM 0 HD3 PRO A 25 -4.937 10.516 -7.424 1.00 71.41 H new ATOM 317 N LYS A 26 -1.023 14.001 -5.218 1.00 61.00 N ATOM 318 CA LYS A 26 0.177 14.263 -4.399 1.00 1.12 C ATOM 319 C LYS A 26 -0.010 13.832 -2.934 1.00 40.25 C ATOM 320 O LYS A 26 0.929 13.424 -2.275 1.00 44.12 O ATOM 321 CB LYS A 26 0.509 15.764 -4.459 1.00 51.23 C ATOM 322 CG LYS A 26 -0.599 16.662 -3.904 1.00 11.03 C ATOM 323 CD LYS A 26 -0.294 18.138 -4.068 1.00 43.32 C ATOM 324 CE LYS A 26 -1.445 18.980 -3.535 1.00 21.30 C ATOM 325 NZ LYS A 26 -1.259 20.421 -3.791 1.00 63.53 N ATOM 0 H LYS A 26 -1.458 14.852 -5.575 1.00 61.00 H new ATOM 0 HA LYS A 26 0.997 13.672 -4.808 1.00 1.12 H new ATOM 0 HB2 LYS A 26 1.427 15.947 -3.900 1.00 51.23 H new ATOM 0 HB3 LYS A 26 0.706 16.042 -5.494 1.00 51.23 H new ATOM 0 HG2 LYS A 26 -1.536 16.431 -4.410 1.00 11.03 H new ATOM 0 HG3 LYS A 26 -0.745 16.441 -2.847 1.00 11.03 H new ATOM 0 HD2 LYS A 26 0.624 18.387 -3.536 1.00 43.32 H new ATOM 0 HD3 LYS A 26 -0.125 18.366 -5.120 1.00 43.32 H new ATOM 0 HE2 LYS A 26 -2.376 18.650 -3.996 1.00 21.30 H new ATOM 0 HE3 LYS A 26 -1.545 18.815 -2.462 1.00 21.30 H new ATOM 0 HZ1 LYS A 26 -2.069 20.949 -3.409 1.00 63.53 H new ATOM 0 HZ2 LYS A 26 -0.385 20.746 -3.329 1.00 63.53 H new ATOM 0 HZ3 LYS A 26 -1.191 20.586 -4.816 1.00 63.53 H new ATOM 339 N THR A 27 -1.221 13.931 -2.456 1.00 70.51 N ATOM 340 CA THR A 27 -1.538 13.626 -1.076 1.00 71.14 C ATOM 341 C THR A 27 -1.885 12.130 -0.922 1.00 70.32 C ATOM 342 O THR A 27 -2.060 11.612 0.195 1.00 62.23 O ATOM 343 CB THR A 27 -2.732 14.506 -0.658 1.00 45.42 C ATOM 344 OG1 THR A 27 -2.428 15.865 -1.005 1.00 54.12 O ATOM 345 CG2 THR A 27 -2.988 14.441 0.837 1.00 45.23 C ATOM 0 H THR A 27 -2.024 14.227 -3.011 1.00 70.51 H new ATOM 0 HA THR A 27 -0.680 13.832 -0.437 1.00 71.14 H new ATOM 0 HB THR A 27 -3.622 14.143 -1.172 1.00 45.42 H new ATOM 0 HG1 THR A 27 -3.177 16.443 -0.749 1.00 54.12 H new ATOM 0 HG21 THR A 27 -3.838 15.076 1.089 1.00 45.23 H new ATOM 0 HG22 THR A 27 -3.206 13.412 1.124 1.00 45.23 H new ATOM 0 HG23 THR A 27 -2.105 14.788 1.373 1.00 45.23 H new ATOM 351 N ASP A 28 -1.939 11.447 -2.037 1.00 5.53 N ATOM 352 CA ASP A 28 -2.330 10.061 -2.068 1.00 5.12 C ATOM 353 C ASP A 28 -1.185 9.153 -1.622 1.00 63.22 C ATOM 354 O ASP A 28 -0.074 9.227 -2.149 1.00 62.51 O ATOM 355 CB ASP A 28 -2.794 9.706 -3.452 1.00 3.43 C ATOM 356 CG ASP A 28 -3.242 8.301 -3.559 1.00 12.34 C ATOM 357 OD1 ASP A 28 -4.443 8.040 -3.325 1.00 63.43 O ATOM 358 OD2 ASP A 28 -2.426 7.448 -3.904 1.00 75.44 O ATOM 0 H ASP A 28 -1.712 11.838 -2.952 1.00 5.53 H new ATOM 0 HA ASP A 28 -3.151 9.909 -1.367 1.00 5.12 H new ATOM 0 HB2 ASP A 28 -3.612 10.367 -3.737 1.00 3.43 H new ATOM 0 HB3 ASP A 28 -1.983 9.880 -4.159 1.00 3.43 H new ATOM 363 N SER A 29 -1.459 8.307 -0.662 1.00 32.44 N ATOM 364 CA SER A 29 -0.445 7.458 -0.098 1.00 63.34 C ATOM 365 C SER A 29 -0.366 6.108 -0.814 1.00 34.20 C ATOM 366 O SER A 29 -1.359 5.402 -0.956 1.00 43.52 O ATOM 367 CB SER A 29 -0.698 7.289 1.387 1.00 10.33 C ATOM 368 OG SER A 29 -0.714 8.565 2.026 1.00 72.42 O ATOM 0 H SER A 29 -2.386 8.189 -0.252 1.00 32.44 H new ATOM 0 HA SER A 29 0.525 7.935 -0.239 1.00 63.34 H new ATOM 0 HB2 SER A 29 -1.649 6.781 1.547 1.00 10.33 H new ATOM 0 HB3 SER A 29 0.077 6.662 1.828 1.00 10.33 H new ATOM 0 HG SER A 29 -1.627 8.921 2.023 1.00 72.42 H new ATOM 374 N LEU A 30 0.833 5.761 -1.227 1.00 22.34 N ATOM 375 CA LEU A 30 1.094 4.551 -1.987 1.00 71.23 C ATOM 376 C LEU A 30 1.493 3.418 -1.065 1.00 74.24 C ATOM 377 O LEU A 30 2.480 3.521 -0.335 1.00 51.33 O ATOM 378 CB LEU A 30 2.229 4.812 -2.977 1.00 53.11 C ATOM 379 CG LEU A 30 1.957 5.860 -4.055 1.00 34.53 C ATOM 380 CD1 LEU A 30 3.257 6.325 -4.698 1.00 55.44 C ATOM 381 CD2 LEU A 30 1.103 5.233 -5.114 1.00 0.13 C ATOM 0 H LEU A 30 1.668 6.317 -1.044 1.00 22.34 H new ATOM 0 HA LEU A 30 0.185 4.270 -2.520 1.00 71.23 H new ATOM 0 HB2 LEU A 30 3.110 5.120 -2.414 1.00 53.11 H new ATOM 0 HB3 LEU A 30 2.478 3.872 -3.469 1.00 53.11 H new ATOM 0 HG LEU A 30 1.462 6.718 -3.600 1.00 34.53 H new ATOM 0 HD11 LEU A 30 3.038 7.071 -5.462 1.00 55.44 H new ATOM 0 HD12 LEU A 30 3.903 6.764 -3.937 1.00 55.44 H new ATOM 0 HD13 LEU A 30 3.761 5.474 -5.155 1.00 55.44 H new ATOM 0 HD21 LEU A 30 0.896 5.965 -5.895 1.00 0.13 H new ATOM 0 HD22 LEU A 30 1.626 4.380 -5.546 1.00 0.13 H new ATOM 0 HD23 LEU A 30 0.164 4.898 -4.673 1.00 0.13 H new ATOM 389 N ALA A 31 0.749 2.348 -1.094 1.00 72.23 N ATOM 390 CA ALA A 31 1.057 1.203 -0.273 1.00 23.34 C ATOM 391 C ALA A 31 1.440 0.013 -1.127 1.00 62.50 C ATOM 392 O ALA A 31 0.967 -0.134 -2.255 1.00 5.23 O ATOM 393 CB ALA A 31 -0.116 0.850 0.618 1.00 20.14 C ATOM 0 H ALA A 31 -0.080 2.241 -1.679 1.00 72.23 H new ATOM 0 HA ALA A 31 1.907 1.463 0.358 1.00 23.34 H new ATOM 0 HB1 ALA A 31 0.139 -0.016 1.228 1.00 20.14 H new ATOM 0 HB2 ALA A 31 -0.348 1.695 1.266 1.00 20.14 H new ATOM 0 HB3 ALA A 31 -0.984 0.617 0.001 1.00 20.14 H new ATOM 399 N HIS A 32 2.313 -0.816 -0.593 1.00 15.31 N ATOM 400 CA HIS A 32 2.742 -2.042 -1.237 1.00 41.13 C ATOM 401 C HIS A 32 3.498 -2.891 -0.239 1.00 33.44 C ATOM 402 O HIS A 32 3.854 -2.410 0.829 1.00 54.41 O ATOM 403 CB HIS A 32 3.589 -1.789 -2.505 1.00 22.02 C ATOM 404 CG HIS A 32 4.869 -1.056 -2.284 1.00 51.14 C ATOM 405 ND1 HIS A 32 6.109 -1.649 -2.424 1.00 24.51 N ATOM 406 CD2 HIS A 32 5.105 0.241 -1.995 1.00 42.24 C ATOM 407 CE1 HIS A 32 7.036 -0.755 -2.238 1.00 21.35 C ATOM 408 NE2 HIS A 32 6.460 0.404 -1.973 1.00 43.01 N ATOM 0 H HIS A 32 2.751 -0.655 0.314 1.00 15.31 H new ATOM 0 HA HIS A 32 1.851 -2.573 -1.573 1.00 41.13 H new ATOM 0 HB2 HIS A 32 3.815 -2.750 -2.968 1.00 22.02 H new ATOM 0 HB3 HIS A 32 2.986 -1.226 -3.218 1.00 22.02 H new ATOM 0 HD2 HIS A 32 4.363 1.005 -1.815 1.00 42.24 H new ATOM 0 HE1 HIS A 32 8.100 -0.931 -2.291 1.00 21.35 H new ATOM 0 HE2 HIS A 32 6.949 1.279 -1.783 1.00 43.01 H new ATOM 417 N CYS A 33 3.749 -4.113 -0.577 1.00 2.31 N ATOM 418 CA CYS A 33 4.403 -5.025 0.319 1.00 71.01 C ATOM 419 C CYS A 33 5.820 -5.353 -0.140 1.00 15.24 C ATOM 420 O CYS A 33 6.135 -5.261 -1.338 1.00 64.30 O ATOM 421 CB CYS A 33 3.560 -6.296 0.429 1.00 54.42 C ATOM 422 SG CYS A 33 3.144 -7.031 -1.168 1.00 62.13 S ATOM 0 H CYS A 33 3.508 -4.514 -1.484 1.00 2.31 H new ATOM 0 HA CYS A 33 4.492 -4.553 1.298 1.00 71.01 H new ATOM 0 HB2 CYS A 33 4.101 -7.030 1.027 1.00 54.42 H new ATOM 0 HB3 CYS A 33 2.639 -6.065 0.964 1.00 54.42 H new ATOM 0 HG CYS A 33 3.553 -8.265 -1.198 1.00 62.13 H new ATOM 428 N ILE A 34 6.673 -5.665 0.826 1.00 71.22 N ATOM 429 CA ILE A 34 8.031 -6.153 0.598 1.00 43.15 C ATOM 430 C ILE A 34 8.409 -7.046 1.762 1.00 23.03 C ATOM 431 O ILE A 34 7.784 -6.999 2.791 1.00 73.12 O ATOM 432 CB ILE A 34 9.125 -5.046 0.474 1.00 34.52 C ATOM 433 CG1 ILE A 34 9.180 -4.181 1.726 1.00 31.41 C ATOM 434 CG2 ILE A 34 8.959 -4.196 -0.786 1.00 21.31 C ATOM 435 CD1 ILE A 34 10.321 -3.212 1.713 1.00 21.45 C ATOM 0 H ILE A 34 6.436 -5.585 1.815 1.00 71.22 H new ATOM 0 HA ILE A 34 8.008 -6.668 -0.362 1.00 43.15 H new ATOM 0 HB ILE A 34 10.082 -5.559 0.378 1.00 34.52 H new ATOM 0 HG12 ILE A 34 8.244 -3.631 1.824 1.00 31.41 H new ATOM 0 HG13 ILE A 34 9.265 -4.824 2.602 1.00 31.41 H new ATOM 0 HG21 ILE A 34 9.745 -3.442 -0.823 1.00 21.31 H new ATOM 0 HG22 ILE A 34 9.027 -4.834 -1.667 1.00 21.31 H new ATOM 0 HG23 ILE A 34 7.986 -3.705 -0.768 1.00 21.31 H new ATOM 0 HD11 ILE A 34 10.309 -2.623 2.630 1.00 21.45 H new ATOM 0 HD12 ILE A 34 11.262 -3.758 1.645 1.00 21.45 H new ATOM 0 HD13 ILE A 34 10.224 -2.548 0.854 1.00 21.45 H new ATOM 442 N SER A 35 9.404 -7.843 1.595 1.00 5.20 N ATOM 443 CA SER A 35 9.870 -8.702 2.655 1.00 75.50 C ATOM 444 C SER A 35 10.974 -7.947 3.464 1.00 41.44 C ATOM 445 O SER A 35 11.444 -6.878 3.020 1.00 52.45 O ATOM 446 CB SER A 35 10.423 -9.984 2.014 1.00 73.22 C ATOM 447 OG SER A 35 10.936 -10.880 2.959 1.00 42.02 O ATOM 0 H SER A 35 9.927 -7.927 0.723 1.00 5.20 H new ATOM 0 HA SER A 35 9.066 -8.966 3.342 1.00 75.50 H new ATOM 0 HB2 SER A 35 9.631 -10.473 1.447 1.00 73.22 H new ATOM 0 HB3 SER A 35 11.207 -9.722 1.304 1.00 73.22 H new ATOM 0 HG SER A 35 11.889 -11.028 2.786 1.00 42.02 H new ATOM 453 N GLU A 36 11.383 -8.482 4.631 1.00 63.12 N ATOM 454 CA GLU A 36 12.451 -7.866 5.443 1.00 74.20 C ATOM 455 C GLU A 36 13.757 -7.775 4.702 1.00 60.33 C ATOM 456 O GLU A 36 14.499 -6.816 4.868 1.00 30.31 O ATOM 457 CB GLU A 36 12.700 -8.574 6.770 1.00 73.24 C ATOM 458 CG GLU A 36 11.653 -8.364 7.827 1.00 43.51 C ATOM 459 CD GLU A 36 12.069 -8.963 9.141 1.00 3.21 C ATOM 460 OE1 GLU A 36 13.211 -8.671 9.601 1.00 13.21 O ATOM 461 OE2 GLU A 36 11.295 -9.739 9.729 1.00 4.25 O ATOM 0 H GLU A 36 10.992 -9.335 5.031 1.00 63.12 H new ATOM 0 HA GLU A 36 12.075 -6.865 5.653 1.00 74.20 H new ATOM 0 HB2 GLU A 36 12.788 -9.644 6.579 1.00 73.24 H new ATOM 0 HB3 GLU A 36 13.660 -8.241 7.164 1.00 73.24 H new ATOM 0 HG2 GLU A 36 11.471 -7.297 7.954 1.00 43.51 H new ATOM 0 HG3 GLU A 36 10.713 -8.811 7.503 1.00 43.51 H new ATOM 468 N ASP A 37 14.024 -8.746 3.876 1.00 42.15 N ATOM 469 CA ASP A 37 15.256 -8.781 3.103 1.00 23.53 C ATOM 470 C ASP A 37 15.167 -7.841 1.910 1.00 43.33 C ATOM 471 O ASP A 37 16.135 -7.663 1.175 1.00 62.25 O ATOM 472 CB ASP A 37 15.613 -10.223 2.683 1.00 43.11 C ATOM 473 CG ASP A 37 14.558 -10.904 1.837 1.00 31.50 C ATOM 474 OD1 ASP A 37 13.377 -10.594 1.982 1.00 5.11 O ATOM 475 OD2 ASP A 37 14.914 -11.795 1.025 1.00 42.42 O ATOM 0 H ASP A 37 13.403 -9.538 3.712 1.00 42.15 H new ATOM 0 HA ASP A 37 16.070 -8.428 3.737 1.00 23.53 H new ATOM 0 HB2 ASP A 37 16.551 -10.206 2.129 1.00 43.11 H new ATOM 0 HB3 ASP A 37 15.783 -10.819 3.580 1.00 43.11 H new ATOM 480 N CYS A 38 13.986 -7.236 1.761 1.00 42.45 N ATOM 481 CA CYS A 38 13.678 -6.219 0.773 1.00 32.24 C ATOM 482 C CYS A 38 14.065 -6.605 -0.639 1.00 21.21 C ATOM 483 O CYS A 38 15.125 -6.233 -1.149 1.00 54.13 O ATOM 484 CB CYS A 38 14.233 -4.854 1.189 1.00 35.03 C ATOM 485 SG CYS A 38 13.593 -4.294 2.793 1.00 43.13 S ATOM 0 H CYS A 38 13.188 -7.457 2.356 1.00 42.45 H new ATOM 0 HA CYS A 38 12.592 -6.135 0.747 1.00 32.24 H new ATOM 0 HB2 CYS A 38 15.321 -4.908 1.236 1.00 35.03 H new ATOM 0 HB3 CYS A 38 13.983 -4.117 0.426 1.00 35.03 H new ATOM 0 HG CYS A 38 12.692 -5.130 3.216 1.00 43.13 H new ATOM 491 N ARG A 39 13.234 -7.401 -1.242 1.00 21.41 N ATOM 492 CA ARG A 39 13.450 -7.822 -2.582 1.00 1.15 C ATOM 493 C ARG A 39 12.481 -7.074 -3.470 1.00 34.32 C ATOM 494 O ARG A 39 11.310 -7.436 -3.564 1.00 14.33 O ATOM 495 CB ARG A 39 13.235 -9.336 -2.707 1.00 72.34 C ATOM 496 CG ARG A 39 14.070 -10.171 -1.735 1.00 30.32 C ATOM 497 CD ARG A 39 15.558 -9.984 -1.937 1.00 74.03 C ATOM 498 NE ARG A 39 16.341 -10.709 -0.933 1.00 34.03 N ATOM 499 CZ ARG A 39 17.676 -10.667 -0.801 1.00 32.31 C ATOM 500 NH1 ARG A 39 18.414 -9.961 -1.645 1.00 35.15 N ATOM 501 NH2 ARG A 39 18.265 -11.342 0.171 1.00 54.03 N ATOM 0 H ARG A 39 12.387 -7.774 -0.813 1.00 21.41 H new ATOM 0 HA ARG A 39 14.475 -7.607 -2.883 1.00 1.15 H new ATOM 0 HB2 ARG A 39 12.180 -9.556 -2.544 1.00 72.34 H new ATOM 0 HB3 ARG A 39 13.471 -9.642 -3.726 1.00 72.34 H new ATOM 0 HG2 ARG A 39 13.809 -9.900 -0.712 1.00 30.32 H new ATOM 0 HG3 ARG A 39 13.820 -11.225 -1.859 1.00 30.32 H new ATOM 0 HD2 ARG A 39 15.835 -10.330 -2.933 1.00 74.03 H new ATOM 0 HD3 ARG A 39 15.800 -8.922 -1.889 1.00 74.03 H new ATOM 0 HE ARG A 39 15.827 -11.297 -0.277 1.00 34.03 H new ATOM 0 HH11 ARG A 39 17.968 -9.444 -2.403 1.00 35.15 H new ATOM 0 HH12 ARG A 39 19.428 -9.935 -1.537 1.00 35.15 H new ATOM 0 HH21 ARG A 39 17.705 -11.894 0.820 1.00 54.03 H new ATOM 0 HH22 ARG A 39 19.280 -11.310 0.272 1.00 54.03 H new ATOM 513 N MET A 40 12.935 -5.988 -4.050 1.00 42.12 N ATOM 514 CA MET A 40 12.081 -5.210 -4.922 1.00 62.11 C ATOM 515 C MET A 40 12.194 -5.683 -6.331 1.00 41.12 C ATOM 516 O MET A 40 11.268 -5.504 -7.113 1.00 42.13 O ATOM 517 CB MET A 40 12.435 -3.710 -4.936 1.00 31.21 C ATOM 518 CG MET A 40 12.226 -2.924 -3.660 1.00 73.34 C ATOM 519 SD MET A 40 13.399 -3.272 -2.356 1.00 72.15 S ATOM 520 CE MET A 40 12.878 -2.016 -1.193 1.00 51.22 C ATOM 0 H MET A 40 13.881 -5.624 -3.937 1.00 42.12 H new ATOM 0 HA MET A 40 11.074 -5.343 -4.526 1.00 62.11 H new ATOM 0 HB2 MET A 40 13.483 -3.616 -5.219 1.00 31.21 H new ATOM 0 HB3 MET A 40 11.848 -3.235 -5.722 1.00 31.21 H new ATOM 0 HG2 MET A 40 12.272 -1.861 -3.895 1.00 73.34 H new ATOM 0 HG3 MET A 40 11.222 -3.125 -3.288 1.00 73.34 H new ATOM 0 HE1 MET A 40 13.602 -1.949 -0.381 1.00 51.22 H new ATOM 0 HE2 MET A 40 12.813 -1.054 -1.701 1.00 51.22 H new ATOM 0 HE3 MET A 40 11.901 -2.278 -0.788 1.00 51.22 H new ATOM 530 N GLY A 41 13.304 -6.336 -6.629 1.00 33.45 N ATOM 531 CA GLY A 41 13.676 -6.687 -7.987 1.00 22.10 C ATOM 532 C GLY A 41 12.879 -7.799 -8.626 1.00 25.41 C ATOM 533 O GLY A 41 13.459 -8.793 -9.081 1.00 75.31 O ATOM 0 H GLY A 41 13.979 -6.640 -5.927 1.00 33.45 H new ATOM 0 HA2 GLY A 41 13.584 -5.797 -8.609 1.00 22.10 H new ATOM 0 HA3 GLY A 41 14.728 -6.972 -7.992 1.00 22.10 H new ATOM 537 N ALA A 42 11.574 -7.623 -8.676 1.00 71.24 N ATOM 538 CA ALA A 42 10.673 -8.559 -9.338 1.00 72.22 C ATOM 539 C ALA A 42 9.260 -8.027 -9.382 1.00 3.24 C ATOM 540 O ALA A 42 8.539 -8.211 -10.370 1.00 22.43 O ATOM 541 CB ALA A 42 10.706 -9.946 -8.709 1.00 25.41 C ATOM 0 H ALA A 42 11.101 -6.822 -8.257 1.00 71.24 H new ATOM 0 HA ALA A 42 11.034 -8.661 -10.361 1.00 72.22 H new ATOM 0 HB1 ALA A 42 10.017 -10.603 -9.240 1.00 25.41 H new ATOM 0 HB2 ALA A 42 11.716 -10.351 -8.774 1.00 25.41 H new ATOM 0 HB3 ALA A 42 10.409 -9.878 -7.663 1.00 25.41 H new ATOM 547 N GLY A 43 8.879 -7.362 -8.334 1.00 24.15 N ATOM 548 CA GLY A 43 7.538 -6.846 -8.238 1.00 70.32 C ATOM 549 C GLY A 43 7.449 -5.403 -8.639 1.00 74.31 C ATOM 550 O GLY A 43 8.386 -4.853 -9.221 1.00 1.43 O ATOM 0 H GLY A 43 9.474 -7.161 -7.530 1.00 24.15 H new ATOM 0 HA2 GLY A 43 6.878 -7.438 -8.872 1.00 70.32 H new ATOM 0 HA3 GLY A 43 7.181 -6.958 -7.214 1.00 70.32 H new ATOM 554 N ILE A 44 6.330 -4.770 -8.320 1.00 54.41 N ATOM 555 CA ILE A 44 6.119 -3.345 -8.631 1.00 53.42 C ATOM 556 C ILE A 44 7.055 -2.475 -7.774 1.00 14.44 C ATOM 557 O ILE A 44 7.317 -1.302 -8.076 1.00 73.51 O ATOM 558 CB ILE A 44 4.634 -2.903 -8.419 1.00 42.51 C ATOM 559 CG1 ILE A 44 4.465 -1.415 -8.810 1.00 73.13 C ATOM 560 CG2 ILE A 44 4.178 -3.166 -6.986 1.00 14.22 C ATOM 561 CD1 ILE A 44 3.101 -0.830 -8.565 1.00 70.32 C ATOM 0 H ILE A 44 5.545 -5.214 -7.844 1.00 54.41 H new ATOM 0 HA ILE A 44 6.351 -3.206 -9.687 1.00 53.42 H new ATOM 0 HB ILE A 44 3.995 -3.501 -9.069 1.00 42.51 H new ATOM 0 HG12 ILE A 44 5.198 -0.827 -8.257 1.00 73.13 H new ATOM 0 HG13 ILE A 44 4.703 -1.307 -9.868 1.00 73.13 H new ATOM 0 HG21 ILE A 44 3.142 -2.848 -6.870 1.00 14.22 H new ATOM 0 HG22 ILE A 44 4.258 -4.231 -6.769 1.00 14.22 H new ATOM 0 HG23 ILE A 44 4.809 -2.607 -6.295 1.00 14.22 H new ATOM 0 HD11 ILE A 44 3.093 0.215 -8.874 1.00 70.32 H new ATOM 0 HD12 ILE A 44 2.359 -1.384 -9.140 1.00 70.32 H new ATOM 0 HD13 ILE A 44 2.862 -0.897 -7.504 1.00 70.32 H new ATOM 568 N ALA A 45 7.564 -3.078 -6.712 1.00 20.33 N ATOM 569 CA ALA A 45 8.468 -2.439 -5.787 1.00 23.13 C ATOM 570 C ALA A 45 9.681 -1.795 -6.496 1.00 74.30 C ATOM 571 O ALA A 45 10.239 -0.831 -5.989 1.00 21.20 O ATOM 572 CB ALA A 45 8.886 -3.415 -4.702 1.00 10.10 C ATOM 0 H ALA A 45 7.352 -4.046 -6.469 1.00 20.33 H new ATOM 0 HA ALA A 45 7.934 -1.615 -5.313 1.00 23.13 H new ATOM 0 HB1 ALA A 45 9.568 -2.920 -4.011 1.00 10.10 H new ATOM 0 HB2 ALA A 45 8.004 -3.756 -4.160 1.00 10.10 H new ATOM 0 HB3 ALA A 45 9.386 -4.271 -5.155 1.00 10.10 H new ATOM 578 N VAL A 46 10.062 -2.333 -7.683 1.00 51.40 N ATOM 579 CA VAL A 46 11.165 -1.772 -8.501 1.00 35.04 C ATOM 580 C VAL A 46 10.920 -0.265 -8.810 1.00 41.54 C ATOM 581 O VAL A 46 11.851 0.537 -8.791 1.00 1.13 O ATOM 582 CB VAL A 46 11.355 -2.554 -9.874 1.00 41.11 C ATOM 583 CG1 VAL A 46 11.754 -4.005 -9.656 1.00 45.42 C ATOM 584 CG2 VAL A 46 10.102 -2.491 -10.744 1.00 45.20 C ATOM 0 H VAL A 46 9.620 -3.155 -8.094 1.00 51.40 H new ATOM 0 HA VAL A 46 12.073 -1.886 -7.909 1.00 35.04 H new ATOM 0 HB VAL A 46 12.167 -2.049 -10.397 1.00 41.11 H new ATOM 0 HG11 VAL A 46 11.872 -4.499 -10.621 1.00 45.42 H new ATOM 0 HG12 VAL A 46 12.696 -4.045 -9.110 1.00 45.42 H new ATOM 0 HG13 VAL A 46 10.980 -4.513 -9.081 1.00 45.42 H new ATOM 0 HG21 VAL A 46 10.275 -3.037 -11.671 1.00 45.20 H new ATOM 0 HG22 VAL A 46 9.265 -2.940 -10.209 1.00 45.20 H new ATOM 0 HG23 VAL A 46 9.870 -1.451 -10.973 1.00 45.20 H new ATOM 590 N LEU A 47 9.659 0.100 -9.040 1.00 14.15 N ATOM 591 CA LEU A 47 9.284 1.475 -9.373 1.00 13.32 C ATOM 592 C LEU A 47 9.489 2.404 -8.183 1.00 54.32 C ATOM 593 O LEU A 47 10.079 3.480 -8.315 1.00 13.05 O ATOM 594 CB LEU A 47 7.828 1.522 -9.858 1.00 11.33 C ATOM 595 CG LEU A 47 7.535 0.818 -11.193 1.00 50.40 C ATOM 596 CD1 LEU A 47 6.042 0.756 -11.443 1.00 50.44 C ATOM 597 CD2 LEU A 47 8.185 1.579 -12.330 1.00 31.32 C ATOM 0 H LEU A 47 8.871 -0.546 -9.001 1.00 14.15 H new ATOM 0 HA LEU A 47 9.932 1.822 -10.178 1.00 13.32 H new ATOM 0 HB2 LEU A 47 7.196 1.076 -9.090 1.00 11.33 H new ATOM 0 HB3 LEU A 47 7.531 2.567 -9.949 1.00 11.33 H new ATOM 0 HG LEU A 47 7.937 -0.194 -11.141 1.00 50.40 H new ATOM 0 HD11 LEU A 47 5.853 0.255 -12.392 1.00 50.44 H new ATOM 0 HD12 LEU A 47 5.561 0.202 -10.637 1.00 50.44 H new ATOM 0 HD13 LEU A 47 5.637 1.767 -11.480 1.00 50.44 H new ATOM 0 HD21 LEU A 47 7.974 1.075 -13.273 1.00 31.32 H new ATOM 0 HD22 LEU A 47 7.787 2.593 -12.363 1.00 31.32 H new ATOM 0 HD23 LEU A 47 9.263 1.617 -12.173 1.00 31.32 H new ATOM 605 N PHE A 48 9.026 1.974 -7.021 1.00 22.42 N ATOM 606 CA PHE A 48 9.167 2.761 -5.797 1.00 74.52 C ATOM 607 C PHE A 48 10.636 2.829 -5.393 1.00 44.31 C ATOM 608 O PHE A 48 11.110 3.845 -4.865 1.00 12.33 O ATOM 609 CB PHE A 48 8.358 2.146 -4.651 1.00 5.52 C ATOM 610 CG PHE A 48 6.871 2.052 -4.882 1.00 3.05 C ATOM 611 CD1 PHE A 48 6.318 0.925 -5.470 1.00 62.34 C ATOM 612 CD2 PHE A 48 6.017 3.073 -4.481 1.00 21.40 C ATOM 613 CE1 PHE A 48 4.955 0.829 -5.651 1.00 63.04 C ATOM 614 CE2 PHE A 48 4.675 2.967 -4.657 1.00 75.13 C ATOM 615 CZ PHE A 48 4.138 1.858 -5.237 1.00 22.44 C ATOM 0 H PHE A 48 8.547 1.082 -6.895 1.00 22.42 H new ATOM 0 HA PHE A 48 8.788 3.764 -5.994 1.00 74.52 H new ATOM 0 HB2 PHE A 48 8.741 1.145 -4.456 1.00 5.52 H new ATOM 0 HB3 PHE A 48 8.531 2.735 -3.750 1.00 5.52 H new ATOM 0 HD1 PHE A 48 6.960 0.117 -5.788 1.00 62.34 H new ATOM 0 HD2 PHE A 48 6.426 3.962 -4.024 1.00 21.40 H new ATOM 0 HE1 PHE A 48 4.530 -0.049 -6.115 1.00 63.04 H new ATOM 0 HE2 PHE A 48 4.028 3.769 -4.334 1.00 75.13 H new ATOM 0 HZ PHE A 48 3.069 1.785 -5.373 1.00 22.44 H new ATOM 625 N LYS A 49 11.344 1.730 -5.649 1.00 51.35 N ATOM 626 CA LYS A 49 12.755 1.605 -5.390 1.00 23.44 C ATOM 627 C LYS A 49 13.516 2.727 -6.118 1.00 43.21 C ATOM 628 O LYS A 49 14.301 3.437 -5.491 1.00 33.13 O ATOM 629 CB LYS A 49 13.196 0.186 -5.851 1.00 1.13 C ATOM 630 CG LYS A 49 14.615 -0.281 -5.511 1.00 73.33 C ATOM 631 CD LYS A 49 15.694 0.424 -6.303 1.00 12.41 C ATOM 632 CE LYS A 49 17.060 -0.149 -5.991 1.00 23.40 C ATOM 633 NZ LYS A 49 17.453 0.047 -4.575 1.00 41.35 N ATOM 0 H LYS A 49 10.931 0.889 -6.052 1.00 51.35 H new ATOM 0 HA LYS A 49 12.981 1.712 -4.329 1.00 23.44 H new ATOM 0 HB2 LYS A 49 12.498 -0.534 -5.424 1.00 1.13 H new ATOM 0 HB3 LYS A 49 13.081 0.138 -6.934 1.00 1.13 H new ATOM 0 HG2 LYS A 49 14.795 -0.122 -4.448 1.00 73.33 H new ATOM 0 HG3 LYS A 49 14.688 -1.354 -5.690 1.00 73.33 H new ATOM 0 HD2 LYS A 49 15.490 0.326 -7.369 1.00 12.41 H new ATOM 0 HD3 LYS A 49 15.682 1.489 -6.073 1.00 12.41 H new ATOM 0 HE2 LYS A 49 17.064 -1.215 -6.221 1.00 23.40 H new ATOM 0 HE3 LYS A 49 17.802 0.319 -6.638 1.00 23.40 H new ATOM 0 HZ1 LYS A 49 18.454 -0.208 -4.454 1.00 41.35 H new ATOM 0 HZ2 LYS A 49 17.315 1.043 -4.311 1.00 41.35 H new ATOM 0 HZ3 LYS A 49 16.866 -0.557 -3.965 1.00 41.35 H new ATOM 647 N LYS A 50 13.259 2.891 -7.418 1.00 4.53 N ATOM 648 CA LYS A 50 13.876 3.972 -8.185 1.00 3.43 C ATOM 649 C LYS A 50 13.370 5.356 -7.776 1.00 11.32 C ATOM 650 O LYS A 50 14.165 6.279 -7.582 1.00 1.11 O ATOM 651 CB LYS A 50 13.681 3.820 -9.707 1.00 12.15 C ATOM 652 CG LYS A 50 14.628 2.876 -10.452 1.00 51.25 C ATOM 653 CD LYS A 50 14.453 1.420 -10.111 1.00 5.04 C ATOM 654 CE LYS A 50 15.383 0.570 -10.961 1.00 13.33 C ATOM 655 NZ LYS A 50 15.167 -0.877 -10.763 1.00 25.13 N ATOM 0 H LYS A 50 12.632 2.293 -7.957 1.00 4.53 H new ATOM 0 HA LYS A 50 14.937 3.891 -7.950 1.00 3.43 H new ATOM 0 HB2 LYS A 50 12.661 3.480 -9.883 1.00 12.15 H new ATOM 0 HB3 LYS A 50 13.769 4.809 -10.157 1.00 12.15 H new ATOM 0 HG2 LYS A 50 14.481 3.005 -11.524 1.00 51.25 H new ATOM 0 HG3 LYS A 50 15.656 3.166 -10.234 1.00 51.25 H new ATOM 0 HD2 LYS A 50 14.664 1.258 -9.054 1.00 5.04 H new ATOM 0 HD3 LYS A 50 13.418 1.121 -10.279 1.00 5.04 H new ATOM 0 HE2 LYS A 50 15.234 0.815 -12.013 1.00 13.33 H new ATOM 0 HE3 LYS A 50 16.417 0.816 -10.719 1.00 13.33 H new ATOM 0 HZ1 LYS A 50 15.825 -1.412 -11.365 1.00 25.13 H new ATOM 0 HZ2 LYS A 50 15.334 -1.120 -9.766 1.00 25.13 H new ATOM 0 HZ3 LYS A 50 14.189 -1.120 -11.019 1.00 25.13 H new ATOM 669 N LYS A 51 12.060 5.498 -7.655 1.00 71.42 N ATOM 670 CA LYS A 51 11.452 6.796 -7.426 1.00 13.14 C ATOM 671 C LYS A 51 11.754 7.393 -6.051 1.00 33.35 C ATOM 672 O LYS A 51 12.135 8.568 -5.951 1.00 2.23 O ATOM 673 CB LYS A 51 9.937 6.723 -7.660 1.00 42.40 C ATOM 674 CG LYS A 51 9.217 8.042 -7.473 1.00 61.43 C ATOM 675 CD LYS A 51 7.736 7.923 -7.780 1.00 42.01 C ATOM 676 CE LYS A 51 7.014 9.252 -7.585 1.00 33.35 C ATOM 677 NZ LYS A 51 7.533 10.320 -8.475 1.00 33.15 N ATOM 0 H LYS A 51 11.396 4.726 -7.712 1.00 71.42 H new ATOM 0 HA LYS A 51 11.907 7.473 -8.149 1.00 13.14 H new ATOM 0 HB2 LYS A 51 9.754 6.362 -8.672 1.00 42.40 H new ATOM 0 HB3 LYS A 51 9.510 5.988 -6.977 1.00 42.40 H new ATOM 0 HG2 LYS A 51 9.349 8.386 -6.447 1.00 61.43 H new ATOM 0 HG3 LYS A 51 9.664 8.795 -8.122 1.00 61.43 H new ATOM 0 HD2 LYS A 51 7.603 7.583 -8.807 1.00 42.01 H new ATOM 0 HD3 LYS A 51 7.289 7.167 -7.134 1.00 42.01 H new ATOM 0 HE2 LYS A 51 5.949 9.114 -7.773 1.00 33.35 H new ATOM 0 HE3 LYS A 51 7.116 9.568 -6.547 1.00 33.35 H new ATOM 0 HZ1 LYS A 51 6.887 11.135 -8.453 1.00 33.15 H new ATOM 0 HZ2 LYS A 51 8.475 10.616 -8.149 1.00 33.15 H new ATOM 0 HZ3 LYS A 51 7.601 9.959 -9.448 1.00 33.15 H new ATOM 691 N PHE A 52 11.631 6.608 -5.013 1.00 21.42 N ATOM 692 CA PHE A 52 11.766 7.153 -3.676 1.00 21.24 C ATOM 693 C PHE A 52 13.123 6.896 -3.057 1.00 2.12 C ATOM 694 O PHE A 52 13.627 7.732 -2.309 1.00 1.41 O ATOM 695 CB PHE A 52 10.634 6.660 -2.762 1.00 35.55 C ATOM 696 CG PHE A 52 9.265 7.080 -3.236 1.00 53.33 C ATOM 697 CD1 PHE A 52 8.805 8.360 -2.992 1.00 42.03 C ATOM 698 CD2 PHE A 52 8.447 6.197 -3.924 1.00 54.52 C ATOM 699 CE1 PHE A 52 7.556 8.760 -3.426 1.00 3.04 C ATOM 700 CE2 PHE A 52 7.196 6.590 -4.359 1.00 62.54 C ATOM 701 CZ PHE A 52 6.752 7.875 -4.111 1.00 43.24 C ATOM 0 H PHE A 52 11.441 5.607 -5.058 1.00 21.42 H new ATOM 0 HA PHE A 52 11.683 8.235 -3.778 1.00 21.24 H new ATOM 0 HB2 PHE A 52 10.673 5.572 -2.700 1.00 35.55 H new ATOM 0 HB3 PHE A 52 10.796 7.042 -1.754 1.00 35.55 H new ATOM 0 HD1 PHE A 52 9.431 9.057 -2.455 1.00 42.03 H new ATOM 0 HD2 PHE A 52 8.791 5.193 -4.122 1.00 54.52 H new ATOM 0 HE1 PHE A 52 7.210 9.764 -3.229 1.00 3.04 H new ATOM 0 HE2 PHE A 52 6.566 5.894 -4.892 1.00 62.54 H new ATOM 0 HZ PHE A 52 5.776 8.185 -4.454 1.00 43.24 H new ATOM 711 N GLY A 53 13.734 5.772 -3.393 1.00 64.43 N ATOM 712 CA GLY A 53 14.994 5.419 -2.763 1.00 11.21 C ATOM 713 C GLY A 53 14.760 5.055 -1.317 1.00 51.33 C ATOM 714 O GLY A 53 15.405 5.580 -0.411 1.00 42.14 O ATOM 0 H GLY A 53 13.389 5.103 -4.081 1.00 64.43 H new ATOM 0 HA2 GLY A 53 15.451 4.581 -3.289 1.00 11.21 H new ATOM 0 HA3 GLY A 53 15.690 6.255 -2.829 1.00 11.21 H new ATOM 718 N GLY A 54 13.832 4.157 -1.113 1.00 52.01 N ATOM 719 CA GLY A 54 13.395 3.814 0.209 1.00 61.41 C ATOM 720 C GLY A 54 14.223 2.769 0.902 1.00 64.34 C ATOM 721 O GLY A 54 14.278 2.757 2.127 1.00 41.52 O ATOM 0 H GLY A 54 13.361 3.645 -1.859 1.00 52.01 H new ATOM 0 HA2 GLY A 54 13.392 4.717 0.820 1.00 61.41 H new ATOM 0 HA3 GLY A 54 12.365 3.462 0.155 1.00 61.41 H new ATOM 725 N VAL A 55 14.881 1.905 0.129 1.00 54.14 N ATOM 726 CA VAL A 55 15.564 0.721 0.674 1.00 50.13 C ATOM 727 C VAL A 55 16.498 1.028 1.862 1.00 21.40 C ATOM 728 O VAL A 55 16.420 0.351 2.889 1.00 63.53 O ATOM 729 CB VAL A 55 16.300 -0.107 -0.427 1.00 74.44 C ATOM 730 CG1 VAL A 55 17.399 0.685 -1.109 1.00 12.44 C ATOM 731 CG2 VAL A 55 16.829 -1.426 0.127 1.00 11.10 C ATOM 0 H VAL A 55 14.958 2.000 -0.884 1.00 54.14 H new ATOM 0 HA VAL A 55 14.761 0.101 1.073 1.00 50.13 H new ATOM 0 HB VAL A 55 15.558 -0.339 -1.191 1.00 74.44 H new ATOM 0 HG11 VAL A 55 17.879 0.064 -1.865 1.00 12.44 H new ATOM 0 HG12 VAL A 55 16.971 1.568 -1.583 1.00 12.44 H new ATOM 0 HG13 VAL A 55 18.138 0.993 -0.369 1.00 12.44 H new ATOM 0 HG21 VAL A 55 17.335 -1.977 -0.666 1.00 11.10 H new ATOM 0 HG22 VAL A 55 17.532 -1.225 0.935 1.00 11.10 H new ATOM 0 HG23 VAL A 55 15.998 -2.020 0.508 1.00 11.10 H new ATOM 737 N GLN A 56 17.329 2.061 1.752 1.00 73.40 N ATOM 738 CA GLN A 56 18.220 2.395 2.841 1.00 1.25 C ATOM 739 C GLN A 56 17.476 2.816 4.078 1.00 32.51 C ATOM 740 O GLN A 56 17.792 2.360 5.165 1.00 2.44 O ATOM 741 CB GLN A 56 19.232 3.434 2.457 1.00 61.50 C ATOM 742 CG GLN A 56 20.121 3.812 3.614 1.00 62.21 C ATOM 743 CD GLN A 56 21.356 4.467 3.153 1.00 14.22 C ATOM 744 OE1 GLN A 56 21.438 5.688 3.013 1.00 31.11 O ATOM 745 NE2 GLN A 56 22.334 3.661 2.908 1.00 62.22 N ATOM 0 H GLN A 56 17.399 2.666 0.934 1.00 73.40 H new ATOM 0 HA GLN A 56 18.760 1.477 3.072 1.00 1.25 H new ATOM 0 HB2 GLN A 56 19.844 3.058 1.637 1.00 61.50 H new ATOM 0 HB3 GLN A 56 18.718 4.322 2.090 1.00 61.50 H new ATOM 0 HG2 GLN A 56 19.582 4.481 4.285 1.00 62.21 H new ATOM 0 HG3 GLN A 56 20.373 2.920 4.187 1.00 62.21 H new ATOM 0 HE21 GLN A 56 22.213 2.657 3.041 1.00 62.22 H new ATOM 0 HE22 GLN A 56 23.228 4.028 2.582 1.00 62.22 H new ATOM 753 N GLU A 57 16.474 3.658 3.914 1.00 14.23 N ATOM 754 CA GLU A 57 15.686 4.109 5.043 1.00 72.40 C ATOM 755 C GLU A 57 14.987 2.945 5.712 1.00 64.22 C ATOM 756 O GLU A 57 14.877 2.898 6.916 1.00 34.12 O ATOM 757 CB GLU A 57 14.684 5.183 4.647 1.00 53.14 C ATOM 758 CG GLU A 57 15.313 6.494 4.215 1.00 21.10 C ATOM 759 CD GLU A 57 14.279 7.555 3.922 1.00 44.31 C ATOM 760 OE1 GLU A 57 13.654 8.072 4.881 1.00 61.04 O ATOM 761 OE2 GLU A 57 14.089 7.911 2.748 1.00 20.32 O ATOM 0 H GLU A 57 16.188 4.042 3.013 1.00 14.23 H new ATOM 0 HA GLU A 57 16.376 4.557 5.758 1.00 72.40 H new ATOM 0 HB2 GLU A 57 14.066 4.804 3.833 1.00 53.14 H new ATOM 0 HB3 GLU A 57 14.020 5.372 5.490 1.00 53.14 H new ATOM 0 HG2 GLU A 57 15.983 6.849 4.998 1.00 21.10 H new ATOM 0 HG3 GLU A 57 15.922 6.327 3.326 1.00 21.10 H new ATOM 768 N LEU A 58 14.562 1.988 4.919 1.00 50.21 N ATOM 769 CA LEU A 58 13.898 0.803 5.426 1.00 54.42 C ATOM 770 C LEU A 58 14.879 -0.044 6.234 1.00 1.21 C ATOM 771 O LEU A 58 14.541 -0.551 7.319 1.00 53.33 O ATOM 772 CB LEU A 58 13.326 -0.001 4.270 1.00 13.12 C ATOM 773 CG LEU A 58 12.343 0.751 3.375 1.00 55.23 C ATOM 774 CD1 LEU A 58 11.913 -0.112 2.218 1.00 53.42 C ATOM 775 CD2 LEU A 58 11.137 1.229 4.169 1.00 34.35 C ATOM 0 H LEU A 58 14.666 2.007 3.904 1.00 50.21 H new ATOM 0 HA LEU A 58 13.081 1.104 6.082 1.00 54.42 H new ATOM 0 HB2 LEU A 58 14.151 -0.359 3.655 1.00 13.12 H new ATOM 0 HB3 LEU A 58 12.825 -0.881 4.674 1.00 13.12 H new ATOM 0 HG LEU A 58 12.852 1.629 2.978 1.00 55.23 H new ATOM 0 HD11 LEU A 58 11.213 0.441 1.592 1.00 53.42 H new ATOM 0 HD12 LEU A 58 12.786 -0.390 1.628 1.00 53.42 H new ATOM 0 HD13 LEU A 58 11.428 -1.012 2.596 1.00 53.42 H new ATOM 0 HD21 LEU A 58 10.453 1.761 3.507 1.00 34.35 H new ATOM 0 HD22 LEU A 58 10.625 0.371 4.605 1.00 34.35 H new ATOM 0 HD23 LEU A 58 11.467 1.898 4.964 1.00 34.35 H new ATOM 783 N LEU A 59 16.088 -0.190 5.710 1.00 60.25 N ATOM 784 CA LEU A 59 17.146 -0.927 6.395 1.00 13.24 C ATOM 785 C LEU A 59 17.531 -0.196 7.672 1.00 51.23 C ATOM 786 O LEU A 59 17.733 -0.801 8.723 1.00 42.53 O ATOM 787 CB LEU A 59 18.389 -1.074 5.484 1.00 52.24 C ATOM 788 CG LEU A 59 18.191 -1.840 4.171 1.00 63.02 C ATOM 789 CD1 LEU A 59 19.486 -1.880 3.375 1.00 13.01 C ATOM 790 CD2 LEU A 59 17.683 -3.254 4.435 1.00 43.34 C ATOM 0 H LEU A 59 16.364 0.194 4.806 1.00 60.25 H new ATOM 0 HA LEU A 59 16.775 -1.923 6.639 1.00 13.24 H new ATOM 0 HB2 LEU A 59 18.756 -0.076 5.244 1.00 52.24 H new ATOM 0 HB3 LEU A 59 19.172 -1.573 6.055 1.00 52.24 H new ATOM 0 HG LEU A 59 17.439 -1.313 3.583 1.00 63.02 H new ATOM 0 HD11 LEU A 59 19.326 -2.428 2.446 1.00 13.01 H new ATOM 0 HD12 LEU A 59 19.804 -0.863 3.146 1.00 13.01 H new ATOM 0 HD13 LEU A 59 20.258 -2.378 3.961 1.00 13.01 H new ATOM 0 HD21 LEU A 59 17.551 -3.776 3.487 1.00 43.34 H new ATOM 0 HD22 LEU A 59 18.406 -3.792 5.048 1.00 43.34 H new ATOM 0 HD23 LEU A 59 16.728 -3.206 4.959 1.00 43.34 H new ATOM 798 N ASN A 60 17.583 1.102 7.568 1.00 4.24 N ATOM 799 CA ASN A 60 17.975 1.979 8.649 1.00 2.34 C ATOM 800 C ASN A 60 16.889 2.060 9.749 1.00 24.42 C ATOM 801 O ASN A 60 17.207 2.193 10.936 1.00 32.32 O ATOM 802 CB ASN A 60 18.349 3.346 8.052 1.00 62.42 C ATOM 803 CG ASN A 60 18.815 4.384 9.038 1.00 22.21 C ATOM 804 OD1 ASN A 60 19.326 4.073 10.109 1.00 4.05 O ATOM 805 ND2 ASN A 60 18.716 5.620 8.638 1.00 43.52 N ATOM 0 H ASN A 60 17.349 1.598 6.708 1.00 4.24 H new ATOM 0 HA ASN A 60 18.850 1.577 9.159 1.00 2.34 H new ATOM 0 HB2 ASN A 60 19.135 3.196 7.312 1.00 62.42 H new ATOM 0 HB3 ASN A 60 17.482 3.739 7.521 1.00 62.42 H new ATOM 0 HD21 ASN A 60 19.071 6.376 9.224 1.00 43.52 H new ATOM 0 HD22 ASN A 60 18.283 5.832 7.739 1.00 43.52 H new ATOM 811 N GLN A 61 15.611 1.960 9.359 1.00 2.02 N ATOM 812 CA GLN A 61 14.510 1.895 10.337 1.00 25.42 C ATOM 813 C GLN A 61 14.562 0.604 11.123 1.00 32.40 C ATOM 814 O GLN A 61 14.166 0.566 12.283 1.00 61.53 O ATOM 815 CB GLN A 61 13.113 1.986 9.686 1.00 12.30 C ATOM 816 CG GLN A 61 12.728 3.332 9.092 1.00 74.33 C ATOM 817 CD GLN A 61 11.275 3.339 8.617 1.00 53.03 C ATOM 818 OE1 GLN A 61 10.423 2.631 9.168 1.00 4.03 O ATOM 819 NE2 GLN A 61 10.967 4.142 7.636 1.00 33.51 N ATOM 0 H GLN A 61 15.313 1.922 8.384 1.00 2.02 H new ATOM 0 HA GLN A 61 14.652 2.758 10.987 1.00 25.42 H new ATOM 0 HB2 GLN A 61 13.054 1.236 8.897 1.00 12.30 H new ATOM 0 HB3 GLN A 61 12.369 1.719 10.436 1.00 12.30 H new ATOM 0 HG2 GLN A 61 12.872 4.114 9.837 1.00 74.33 H new ATOM 0 HG3 GLN A 61 13.387 3.563 8.255 1.00 74.33 H new ATOM 0 HE21 GLN A 61 11.690 4.715 7.200 1.00 33.51 H new ATOM 0 HE22 GLN A 61 10.004 4.197 7.305 1.00 33.51 H new ATOM 827 N GLN A 62 15.055 -0.450 10.475 1.00 11.32 N ATOM 828 CA GLN A 62 15.091 -1.789 11.049 1.00 21.13 C ATOM 829 C GLN A 62 13.687 -2.298 11.315 1.00 10.22 C ATOM 830 O GLN A 62 13.343 -2.716 12.426 1.00 1.55 O ATOM 831 CB GLN A 62 15.966 -1.882 12.299 1.00 73.12 C ATOM 832 CG GLN A 62 17.430 -1.628 12.039 1.00 52.31 C ATOM 833 CD GLN A 62 18.265 -1.759 13.292 1.00 75.44 C ATOM 834 OE1 GLN A 62 17.927 -2.524 14.204 1.00 3.24 O ATOM 835 NE2 GLN A 62 19.352 -1.040 13.352 1.00 42.20 N ATOM 0 H GLN A 62 15.442 -0.396 9.533 1.00 11.32 H new ATOM 0 HA GLN A 62 15.559 -2.436 10.307 1.00 21.13 H new ATOM 0 HB2 GLN A 62 15.608 -1.163 13.036 1.00 73.12 H new ATOM 0 HB3 GLN A 62 15.851 -2.873 12.738 1.00 73.12 H new ATOM 0 HG2 GLN A 62 17.791 -2.332 11.289 1.00 52.31 H new ATOM 0 HG3 GLN A 62 17.555 -0.628 11.624 1.00 52.31 H new ATOM 0 HE21 GLN A 62 19.597 -0.421 12.580 1.00 42.20 H new ATOM 0 HE22 GLN A 62 19.957 -1.097 14.171 1.00 42.20 H new ATOM 843 N LYS A 63 12.881 -2.231 10.283 1.00 41.12 N ATOM 844 CA LYS A 63 11.514 -2.727 10.294 1.00 12.11 C ATOM 845 C LYS A 63 11.461 -4.259 10.457 1.00 74.24 C ATOM 846 O LYS A 63 12.491 -4.940 10.366 1.00 44.31 O ATOM 847 CB LYS A 63 10.765 -2.257 9.021 1.00 13.13 C ATOM 848 CG LYS A 63 11.637 -2.229 7.750 1.00 11.30 C ATOM 849 CD LYS A 63 12.339 -3.550 7.494 1.00 40.22 C ATOM 850 CE LYS A 63 13.396 -3.395 6.413 1.00 64.11 C ATOM 851 NZ LYS A 63 14.272 -4.583 6.303 1.00 43.21 N ATOM 0 H LYS A 63 13.157 -1.823 9.390 1.00 41.12 H new ATOM 0 HA LYS A 63 11.007 -2.307 11.163 1.00 12.11 H new ATOM 0 HB2 LYS A 63 9.914 -2.916 8.850 1.00 13.13 H new ATOM 0 HB3 LYS A 63 10.365 -1.258 9.196 1.00 13.13 H new ATOM 0 HG2 LYS A 63 11.013 -1.981 6.891 1.00 11.30 H new ATOM 0 HG3 LYS A 63 12.381 -1.438 7.842 1.00 11.30 H new ATOM 0 HD2 LYS A 63 12.802 -3.906 8.414 1.00 40.22 H new ATOM 0 HD3 LYS A 63 11.610 -4.302 7.192 1.00 40.22 H new ATOM 0 HE2 LYS A 63 12.908 -3.217 5.455 1.00 64.11 H new ATOM 0 HE3 LYS A 63 14.005 -2.517 6.628 1.00 64.11 H new ATOM 0 HZ1 LYS A 63 15.248 -4.278 6.110 1.00 43.21 H new ATOM 0 HZ2 LYS A 63 14.246 -5.117 7.195 1.00 43.21 H new ATOM 0 HZ3 LYS A 63 13.939 -5.189 5.526 1.00 43.21 H new ATOM 865 N LYS A 64 10.281 -4.778 10.658 1.00 64.32 N ATOM 866 CA LYS A 64 10.072 -6.200 10.898 1.00 11.02 C ATOM 867 C LYS A 64 8.808 -6.715 10.257 1.00 54.44 C ATOM 868 O LYS A 64 7.857 -5.962 10.029 1.00 11.11 O ATOM 869 CB LYS A 64 10.100 -6.546 12.404 1.00 4.15 C ATOM 870 CG LYS A 64 11.484 -6.478 13.031 1.00 74.42 C ATOM 871 CD LYS A 64 12.383 -7.517 12.394 1.00 53.43 C ATOM 872 CE LYS A 64 13.810 -7.434 12.858 1.00 63.04 C ATOM 873 NZ LYS A 64 14.632 -8.434 12.152 1.00 55.32 N ATOM 0 H LYS A 64 9.421 -4.229 10.662 1.00 64.32 H new ATOM 0 HA LYS A 64 10.910 -6.708 10.422 1.00 11.02 H new ATOM 0 HB2 LYS A 64 9.438 -5.862 12.935 1.00 4.15 H new ATOM 0 HB3 LYS A 64 9.699 -7.550 12.543 1.00 4.15 H new ATOM 0 HG2 LYS A 64 11.908 -5.483 12.894 1.00 74.42 H new ATOM 0 HG3 LYS A 64 11.416 -6.651 14.105 1.00 74.42 H new ATOM 0 HD2 LYS A 64 11.993 -8.510 12.617 1.00 53.43 H new ATOM 0 HD3 LYS A 64 12.353 -7.398 11.311 1.00 53.43 H new ATOM 0 HE2 LYS A 64 14.203 -6.434 12.674 1.00 63.04 H new ATOM 0 HE3 LYS A 64 13.861 -7.604 13.933 1.00 63.04 H new ATOM 0 HZ1 LYS A 64 15.598 -8.067 12.032 1.00 55.32 H new ATOM 0 HZ2 LYS A 64 14.662 -9.313 12.707 1.00 55.32 H new ATOM 0 HZ3 LYS A 64 14.217 -8.628 11.219 1.00 55.32 H new ATOM 887 N SER A 65 8.828 -7.999 9.963 1.00 55.24 N ATOM 888 CA SER A 65 7.737 -8.719 9.353 1.00 60.22 C ATOM 889 C SER A 65 6.443 -8.628 10.167 1.00 12.15 C ATOM 890 O SER A 65 6.454 -8.759 11.403 1.00 33.40 O ATOM 891 CB SER A 65 8.182 -10.168 9.143 1.00 62.42 C ATOM 892 OG SER A 65 8.883 -10.652 10.298 1.00 55.42 O ATOM 0 H SER A 65 9.638 -8.590 10.151 1.00 55.24 H new ATOM 0 HA SER A 65 7.499 -8.262 8.392 1.00 60.22 H new ATOM 0 HB2 SER A 65 7.313 -10.797 8.948 1.00 62.42 H new ATOM 0 HB3 SER A 65 8.826 -10.233 8.266 1.00 62.42 H new ATOM 0 HG SER A 65 9.849 -10.592 10.143 1.00 55.42 H new ATOM 898 N GLY A 66 5.347 -8.366 9.478 1.00 51.42 N ATOM 899 CA GLY A 66 4.061 -8.250 10.124 1.00 4.31 C ATOM 900 C GLY A 66 3.736 -6.810 10.434 1.00 44.25 C ATOM 901 O GLY A 66 2.656 -6.492 10.922 1.00 24.31 O ATOM 0 H GLY A 66 5.327 -8.230 8.467 1.00 51.42 H new ATOM 0 HA2 GLY A 66 3.288 -8.670 9.480 1.00 4.31 H new ATOM 0 HA3 GLY A 66 4.060 -8.833 11.045 1.00 4.31 H new ATOM 905 N GLU A 67 4.671 -5.944 10.148 1.00 53.41 N ATOM 906 CA GLU A 67 4.542 -4.535 10.403 1.00 62.32 C ATOM 907 C GLU A 67 4.732 -3.749 9.134 1.00 43.40 C ATOM 908 O GLU A 67 5.053 -4.309 8.092 1.00 64.44 O ATOM 909 CB GLU A 67 5.494 -4.052 11.490 1.00 65.40 C ATOM 910 CG GLU A 67 5.240 -4.673 12.845 1.00 33.31 C ATOM 911 CD GLU A 67 6.124 -4.100 13.904 1.00 54.31 C ATOM 912 OE1 GLU A 67 7.235 -4.623 14.124 1.00 34.43 O ATOM 913 OE2 GLU A 67 5.720 -3.103 14.545 1.00 55.21 O ATOM 0 H GLU A 67 5.561 -6.204 9.723 1.00 53.41 H new ATOM 0 HA GLU A 67 3.531 -4.366 10.773 1.00 62.32 H new ATOM 0 HB2 GLU A 67 6.518 -4.271 11.187 1.00 65.40 H new ATOM 0 HB3 GLU A 67 5.412 -2.969 11.576 1.00 65.40 H new ATOM 0 HG2 GLU A 67 4.197 -4.520 13.123 1.00 33.31 H new ATOM 0 HG3 GLU A 67 5.399 -5.750 12.785 1.00 33.31 H new ATOM 920 N VAL A 68 4.527 -2.470 9.212 1.00 10.55 N ATOM 921 CA VAL A 68 4.608 -1.639 8.056 1.00 14.40 C ATOM 922 C VAL A 68 5.647 -0.544 8.292 1.00 34.40 C ATOM 923 O VAL A 68 5.786 -0.027 9.408 1.00 41.02 O ATOM 924 CB VAL A 68 3.208 -1.000 7.743 1.00 1.22 C ATOM 925 CG1 VAL A 68 2.757 -0.043 8.838 1.00 24.12 C ATOM 926 CG2 VAL A 68 3.188 -0.311 6.404 1.00 13.15 C ATOM 0 H VAL A 68 4.300 -1.977 10.076 1.00 10.55 H new ATOM 0 HA VAL A 68 4.908 -2.244 7.200 1.00 14.40 H new ATOM 0 HB VAL A 68 2.499 -1.827 7.707 1.00 1.22 H new ATOM 0 HG11 VAL A 68 1.784 0.375 8.578 1.00 24.12 H new ATOM 0 HG12 VAL A 68 2.680 -0.581 9.783 1.00 24.12 H new ATOM 0 HG13 VAL A 68 3.483 0.764 8.938 1.00 24.12 H new ATOM 0 HG21 VAL A 68 2.201 0.116 6.229 1.00 13.15 H new ATOM 0 HG22 VAL A 68 3.934 0.483 6.392 1.00 13.15 H new ATOM 0 HG23 VAL A 68 3.415 -1.033 5.620 1.00 13.15 H new ATOM 932 N ALA A 69 6.411 -0.262 7.280 1.00 21.42 N ATOM 933 CA ALA A 69 7.368 0.810 7.309 1.00 70.24 C ATOM 934 C ALA A 69 6.830 1.903 6.427 1.00 33.34 C ATOM 935 O ALA A 69 6.210 1.614 5.404 1.00 44.03 O ATOM 936 CB ALA A 69 8.723 0.332 6.816 1.00 11.43 C ATOM 0 H ALA A 69 6.389 -0.775 6.398 1.00 21.42 H new ATOM 0 HA ALA A 69 7.512 1.175 8.326 1.00 70.24 H new ATOM 0 HB1 ALA A 69 9.433 1.158 6.846 1.00 11.43 H new ATOM 0 HB2 ALA A 69 9.079 -0.476 7.456 1.00 11.43 H new ATOM 0 HB3 ALA A 69 8.631 -0.030 5.792 1.00 11.43 H new ATOM 942 N VAL A 70 7.026 3.135 6.797 1.00 34.10 N ATOM 943 CA VAL A 70 6.441 4.217 6.046 1.00 33.11 C ATOM 944 C VAL A 70 7.502 5.243 5.729 1.00 53.31 C ATOM 945 O VAL A 70 8.459 5.418 6.494 1.00 2.13 O ATOM 946 CB VAL A 70 5.283 4.917 6.841 1.00 3.51 C ATOM 947 CG1 VAL A 70 4.545 5.934 5.993 1.00 40.30 C ATOM 948 CG2 VAL A 70 4.319 3.917 7.465 1.00 64.33 C ATOM 0 H VAL A 70 7.580 3.418 7.605 1.00 34.10 H new ATOM 0 HA VAL A 70 6.026 3.797 5.130 1.00 33.11 H new ATOM 0 HB VAL A 70 5.760 5.456 7.660 1.00 3.51 H new ATOM 0 HG11 VAL A 70 3.752 6.394 6.584 1.00 40.30 H new ATOM 0 HG12 VAL A 70 5.241 6.703 5.659 1.00 40.30 H new ATOM 0 HG13 VAL A 70 4.110 5.437 5.126 1.00 40.30 H new ATOM 0 HG21 VAL A 70 3.537 4.453 8.003 1.00 64.33 H new ATOM 0 HG22 VAL A 70 3.868 3.308 6.681 1.00 64.33 H new ATOM 0 HG23 VAL A 70 4.861 3.273 8.158 1.00 64.33 H new ATOM 954 N LEU A 71 7.352 5.892 4.606 1.00 71.21 N ATOM 955 CA LEU A 71 8.215 6.973 4.222 1.00 63.30 C ATOM 956 C LEU A 71 7.357 8.184 3.962 1.00 23.21 C ATOM 957 O LEU A 71 6.353 8.092 3.245 1.00 33.32 O ATOM 958 CB LEU A 71 8.990 6.636 2.942 1.00 51.52 C ATOM 959 CG LEU A 71 9.881 5.395 2.966 1.00 61.43 C ATOM 960 CD1 LEU A 71 10.562 5.228 1.628 1.00 21.41 C ATOM 961 CD2 LEU A 71 10.920 5.485 4.072 1.00 53.24 C ATOM 0 H LEU A 71 6.620 5.682 3.927 1.00 71.21 H new ATOM 0 HA LEU A 71 8.934 7.156 5.021 1.00 63.30 H new ATOM 0 HB2 LEU A 71 8.269 6.518 2.133 1.00 51.52 H new ATOM 0 HB3 LEU A 71 9.614 7.494 2.690 1.00 51.52 H new ATOM 0 HG LEU A 71 9.252 4.527 3.164 1.00 61.43 H new ATOM 0 HD11 LEU A 71 11.196 4.342 1.651 1.00 21.41 H new ATOM 0 HD12 LEU A 71 9.809 5.116 0.848 1.00 21.41 H new ATOM 0 HD13 LEU A 71 11.173 6.106 1.419 1.00 21.41 H new ATOM 0 HD21 LEU A 71 11.539 4.588 4.064 1.00 53.24 H new ATOM 0 HD22 LEU A 71 11.549 6.361 3.910 1.00 53.24 H new ATOM 0 HD23 LEU A 71 10.419 5.571 5.036 1.00 53.24 H new ATOM 969 N LYS A 72 7.711 9.294 4.551 1.00 52.12 N ATOM 970 CA LYS A 72 6.993 10.518 4.324 1.00 44.02 C ATOM 971 C LYS A 72 7.640 11.200 3.161 1.00 4.41 C ATOM 972 O LYS A 72 8.797 11.626 3.244 1.00 41.12 O ATOM 973 CB LYS A 72 7.080 11.397 5.553 1.00 61.31 C ATOM 974 CG LYS A 72 6.319 12.713 5.467 1.00 14.35 C ATOM 975 CD LYS A 72 6.526 13.558 6.724 1.00 13.43 C ATOM 976 CE LYS A 72 6.029 12.850 7.982 1.00 34.13 C ATOM 977 NZ LYS A 72 6.250 13.661 9.199 1.00 31.23 N ATOM 0 H LYS A 72 8.497 9.375 5.196 1.00 52.12 H new ATOM 0 HA LYS A 72 5.941 10.321 4.120 1.00 44.02 H new ATOM 0 HB2 LYS A 72 6.706 10.835 6.409 1.00 61.31 H new ATOM 0 HB3 LYS A 72 8.130 11.615 5.750 1.00 61.31 H new ATOM 0 HG2 LYS A 72 6.652 13.271 4.592 1.00 14.35 H new ATOM 0 HG3 LYS A 72 5.256 12.513 5.332 1.00 14.35 H new ATOM 0 HD2 LYS A 72 7.585 13.790 6.834 1.00 13.43 H new ATOM 0 HD3 LYS A 72 6.002 14.507 6.612 1.00 13.43 H new ATOM 0 HE2 LYS A 72 4.966 12.633 7.879 1.00 34.13 H new ATOM 0 HE3 LYS A 72 6.541 11.894 8.086 1.00 34.13 H new ATOM 0 HZ1 LYS A 72 5.898 13.143 10.030 1.00 31.23 H new ATOM 0 HZ2 LYS A 72 7.267 13.847 9.312 1.00 31.23 H new ATOM 0 HZ3 LYS A 72 5.740 14.563 9.112 1.00 31.23 H new ATOM 991 N ARG A 73 6.935 11.280 2.084 1.00 24.41 N ATOM 992 CA ARG A 73 7.485 11.821 0.859 1.00 53.03 C ATOM 993 C ARG A 73 6.523 12.718 0.145 1.00 13.43 C ATOM 994 O ARG A 73 5.473 12.282 -0.278 1.00 22.35 O ATOM 995 CB ARG A 73 7.969 10.693 -0.074 1.00 50.30 C ATOM 996 CG ARG A 73 9.191 9.944 0.440 1.00 43.40 C ATOM 997 CD ARG A 73 10.368 10.889 0.529 1.00 41.53 C ATOM 998 NE ARG A 73 11.574 10.274 1.058 1.00 14.42 N ATOM 999 CZ ARG A 73 12.783 10.782 0.875 1.00 11.54 C ATOM 1000 NH1 ARG A 73 12.924 11.907 0.177 1.00 3.42 N ATOM 1001 NH2 ARG A 73 13.842 10.187 1.393 1.00 21.10 N ATOM 0 H ARG A 73 5.964 10.977 2.014 1.00 24.41 H new ATOM 0 HA ARG A 73 8.341 12.432 1.144 1.00 53.03 H new ATOM 0 HB2 ARG A 73 7.155 9.983 -0.220 1.00 50.30 H new ATOM 0 HB3 ARG A 73 8.201 11.118 -1.051 1.00 50.30 H new ATOM 0 HG2 ARG A 73 8.981 9.516 1.420 1.00 43.40 H new ATOM 0 HG3 ARG A 73 9.428 9.114 -0.226 1.00 43.40 H new ATOM 0 HD2 ARG A 73 10.579 11.286 -0.464 1.00 41.53 H new ATOM 0 HD3 ARG A 73 10.096 11.735 1.160 1.00 41.53 H new ATOM 0 HE ARG A 73 11.485 9.411 1.595 1.00 14.42 H new ATOM 0 HH11 ARG A 73 12.104 12.372 -0.213 1.00 3.42 H new ATOM 0 HH12 ARG A 73 13.852 12.304 0.032 1.00 3.42 H new ATOM 0 HH21 ARG A 73 13.731 9.332 1.937 1.00 21.10 H new ATOM 0 HH22 ARG A 73 14.771 10.583 1.249 1.00 21.10 H new ATOM 1013 N ASP A 74 6.885 13.985 0.046 1.00 53.15 N ATOM 1014 CA ASP A 74 6.135 14.985 -0.728 1.00 33.32 C ATOM 1015 C ASP A 74 4.692 15.113 -0.264 1.00 34.44 C ATOM 1016 O ASP A 74 3.800 15.460 -1.035 1.00 13.13 O ATOM 1017 CB ASP A 74 6.222 14.679 -2.232 1.00 30.52 C ATOM 1018 CG ASP A 74 7.635 14.821 -2.766 1.00 52.30 C ATOM 1019 OD1 ASP A 74 8.039 15.962 -3.107 1.00 52.23 O ATOM 1020 OD2 ASP A 74 8.380 13.806 -2.841 1.00 14.43 O ATOM 0 H ASP A 74 7.716 14.362 0.502 1.00 53.15 H new ATOM 0 HA ASP A 74 6.601 15.954 -0.549 1.00 33.32 H new ATOM 0 HB2 ASP A 74 5.866 13.665 -2.416 1.00 30.52 H new ATOM 0 HB3 ASP A 74 5.560 15.352 -2.777 1.00 30.52 H new ATOM 1025 N GLY A 75 4.485 14.896 1.017 1.00 72.42 N ATOM 1026 CA GLY A 75 3.168 15.012 1.593 1.00 11.45 C ATOM 1027 C GLY A 75 2.359 13.729 1.539 1.00 62.24 C ATOM 1028 O GLY A 75 1.268 13.656 2.131 1.00 35.34 O ATOM 0 H GLY A 75 5.216 14.638 1.679 1.00 72.42 H new ATOM 0 HA2 GLY A 75 3.263 15.327 2.632 1.00 11.45 H new ATOM 0 HA3 GLY A 75 2.621 15.797 1.071 1.00 11.45 H new ATOM 1032 N ARG A 76 2.849 12.721 0.856 1.00 23.02 N ATOM 1033 CA ARG A 76 2.157 11.465 0.830 1.00 73.40 C ATOM 1034 C ARG A 76 2.937 10.474 1.672 1.00 11.23 C ATOM 1035 O ARG A 76 4.113 10.710 2.002 1.00 33.13 O ATOM 1036 CB ARG A 76 2.028 10.928 -0.603 1.00 42.21 C ATOM 1037 CG ARG A 76 3.342 10.491 -1.225 1.00 65.05 C ATOM 1038 CD ARG A 76 3.164 9.927 -2.613 1.00 4.43 C ATOM 1039 NE ARG A 76 2.768 10.926 -3.608 1.00 34.12 N ATOM 1040 CZ ARG A 76 1.941 10.693 -4.633 1.00 74.04 C ATOM 1041 NH1 ARG A 76 1.195 9.596 -4.657 1.00 44.44 N ATOM 1042 NH2 ARG A 76 1.814 11.597 -5.595 1.00 53.41 N ATOM 0 H ARG A 76 3.715 12.750 0.318 1.00 23.02 H new ATOM 0 HA ARG A 76 1.151 11.605 1.226 1.00 73.40 H new ATOM 0 HB2 ARG A 76 1.341 10.082 -0.601 1.00 42.21 H new ATOM 0 HB3 ARG A 76 1.582 11.700 -1.229 1.00 42.21 H new ATOM 0 HG2 ARG A 76 4.022 11.342 -1.266 1.00 65.05 H new ATOM 0 HG3 ARG A 76 3.810 9.740 -0.588 1.00 65.05 H new ATOM 0 HD2 ARG A 76 4.098 9.462 -2.929 1.00 4.43 H new ATOM 0 HD3 ARG A 76 2.411 9.140 -2.582 1.00 4.43 H new ATOM 0 HE ARG A 76 3.150 11.867 -3.512 1.00 34.12 H new ATOM 0 HH11 ARG A 76 1.250 8.925 -3.891 1.00 44.44 H new ATOM 0 HH12 ARG A 76 0.566 9.424 -5.441 1.00 44.44 H new ATOM 0 HH21 ARG A 76 2.346 12.466 -5.552 1.00 53.41 H new ATOM 0 HH22 ARG A 76 1.184 11.423 -6.378 1.00 53.41 H new ATOM 1054 N TYR A 77 2.315 9.401 2.036 1.00 2.22 N ATOM 1055 CA TYR A 77 3.003 8.366 2.741 1.00 72.21 C ATOM 1056 C TYR A 77 3.210 7.173 1.867 1.00 14.24 C ATOM 1057 O TYR A 77 2.419 6.907 0.966 1.00 43.20 O ATOM 1058 CB TYR A 77 2.300 7.982 4.030 1.00 53.34 C ATOM 1059 CG TYR A 77 2.430 9.006 5.122 1.00 25.20 C ATOM 1060 CD1 TYR A 77 3.646 9.196 5.747 1.00 73.15 C ATOM 1061 CD2 TYR A 77 1.355 9.751 5.550 1.00 51.24 C ATOM 1062 CE1 TYR A 77 3.795 10.092 6.765 1.00 41.01 C ATOM 1063 CE2 TYR A 77 1.493 10.667 6.576 1.00 23.04 C ATOM 1064 CZ TYR A 77 2.718 10.831 7.181 1.00 2.20 C ATOM 1065 OH TYR A 77 2.856 11.727 8.217 1.00 11.43 O ATOM 0 H TYR A 77 1.328 9.216 1.857 1.00 2.22 H new ATOM 0 HA TYR A 77 3.979 8.763 3.019 1.00 72.21 H new ATOM 0 HB2 TYR A 77 1.243 7.820 3.821 1.00 53.34 H new ATOM 0 HB3 TYR A 77 2.704 7.034 4.384 1.00 53.34 H new ATOM 0 HD1 TYR A 77 4.501 8.621 5.422 1.00 73.15 H new ATOM 0 HD2 TYR A 77 0.392 9.618 5.079 1.00 51.24 H new ATOM 0 HE1 TYR A 77 4.756 10.218 7.241 1.00 41.01 H new ATOM 0 HE2 TYR A 77 0.644 11.251 6.901 1.00 23.04 H new ATOM 0 HH TYR A 77 2.079 12.324 8.239 1.00 11.43 H new ATOM 1075 N ILE A 78 4.277 6.469 2.100 1.00 3.33 N ATOM 1076 CA ILE A 78 4.566 5.291 1.334 1.00 55.10 C ATOM 1077 C ILE A 78 4.603 4.137 2.290 1.00 43.52 C ATOM 1078 O ILE A 78 5.427 4.116 3.197 1.00 40.42 O ATOM 1079 CB ILE A 78 5.934 5.385 0.595 1.00 24.12 C ATOM 1080 CG1 ILE A 78 6.023 6.671 -0.251 1.00 41.04 C ATOM 1081 CG2 ILE A 78 6.137 4.160 -0.300 1.00 24.43 C ATOM 1082 CD1 ILE A 78 4.955 6.794 -1.317 1.00 34.13 C ATOM 0 H ILE A 78 4.966 6.691 2.818 1.00 3.33 H new ATOM 0 HA ILE A 78 3.798 5.169 0.570 1.00 55.10 H new ATOM 0 HB ILE A 78 6.721 5.415 1.349 1.00 24.12 H new ATOM 0 HG12 ILE A 78 5.958 7.533 0.413 1.00 41.04 H new ATOM 0 HG13 ILE A 78 7.002 6.710 -0.729 1.00 41.04 H new ATOM 0 HG21 ILE A 78 7.097 4.238 -0.811 1.00 24.43 H new ATOM 0 HG22 ILE A 78 6.123 3.257 0.310 1.00 24.43 H new ATOM 0 HG23 ILE A 78 5.336 4.112 -1.038 1.00 24.43 H new ATOM 0 HD11 ILE A 78 5.092 7.727 -1.864 1.00 34.13 H new ATOM 0 HD12 ILE A 78 5.032 5.954 -2.007 1.00 34.13 H new ATOM 0 HD13 ILE A 78 3.971 6.790 -0.848 1.00 34.13 H new ATOM 1089 N TYR A 79 3.719 3.205 2.106 1.00 64.13 N ATOM 1090 CA TYR A 79 3.610 2.087 2.998 1.00 11.51 C ATOM 1091 C TYR A 79 4.312 0.873 2.457 1.00 12.42 C ATOM 1092 O TYR A 79 4.096 0.462 1.305 1.00 55.14 O ATOM 1093 CB TYR A 79 2.152 1.755 3.304 1.00 63.35 C ATOM 1094 CG TYR A 79 1.408 2.853 4.017 1.00 65.12 C ATOM 1095 CD1 TYR A 79 1.437 2.937 5.394 1.00 61.20 C ATOM 1096 CD2 TYR A 79 0.676 3.798 3.317 1.00 24.20 C ATOM 1097 CE1 TYR A 79 0.764 3.931 6.059 1.00 72.05 C ATOM 1098 CE2 TYR A 79 -0.001 4.799 3.976 1.00 73.31 C ATOM 1099 CZ TYR A 79 0.047 4.859 5.349 1.00 32.10 C ATOM 1100 OH TYR A 79 -0.626 5.856 6.020 1.00 30.43 O ATOM 0 H TYR A 79 3.052 3.196 1.334 1.00 64.13 H new ATOM 0 HA TYR A 79 4.100 2.379 3.927 1.00 11.51 H new ATOM 0 HB2 TYR A 79 1.638 1.530 2.370 1.00 63.35 H new ATOM 0 HB3 TYR A 79 2.116 0.852 3.913 1.00 63.35 H new ATOM 0 HD1 TYR A 79 1.999 2.208 5.958 1.00 61.20 H new ATOM 0 HD2 TYR A 79 0.636 3.749 2.239 1.00 24.20 H new ATOM 0 HE1 TYR A 79 0.799 3.982 7.137 1.00 72.05 H new ATOM 0 HE2 TYR A 79 -0.566 5.532 3.419 1.00 73.31 H new ATOM 0 HH TYR A 79 -1.592 5.726 5.915 1.00 30.43 H new ATOM 1110 N TYR A 80 5.167 0.334 3.266 1.00 33.03 N ATOM 1111 CA TYR A 80 5.853 -0.885 2.985 1.00 74.04 C ATOM 1112 C TYR A 80 5.400 -1.933 3.956 1.00 2.02 C ATOM 1113 O TYR A 80 5.845 -1.952 5.103 1.00 10.22 O ATOM 1114 CB TYR A 80 7.371 -0.714 3.097 1.00 74.10 C ATOM 1115 CG TYR A 80 7.981 0.173 2.054 1.00 75.10 C ATOM 1116 CD1 TYR A 80 8.044 1.547 2.216 1.00 32.42 C ATOM 1117 CD2 TYR A 80 8.503 -0.373 0.902 1.00 61.03 C ATOM 1118 CE1 TYR A 80 8.611 2.342 1.245 1.00 34.52 C ATOM 1119 CE2 TYR A 80 9.069 0.409 -0.066 1.00 2.00 C ATOM 1120 CZ TYR A 80 9.122 1.764 0.104 1.00 42.24 C ATOM 1121 OH TYR A 80 9.681 2.550 -0.875 1.00 42.01 O ATOM 0 H TYR A 80 5.414 0.743 4.167 1.00 33.03 H new ATOM 0 HA TYR A 80 5.621 -1.182 1.962 1.00 74.04 H new ATOM 0 HB2 TYR A 80 7.605 -0.309 4.081 1.00 74.10 H new ATOM 0 HB3 TYR A 80 7.839 -1.697 3.037 1.00 74.10 H new ATOM 0 HD1 TYR A 80 7.645 1.999 3.112 1.00 32.42 H new ATOM 0 HD2 TYR A 80 8.464 -1.443 0.760 1.00 61.03 H new ATOM 0 HE1 TYR A 80 8.655 3.413 1.377 1.00 34.52 H new ATOM 0 HE2 TYR A 80 9.472 -0.042 -0.961 1.00 2.00 H new ATOM 0 HH TYR A 80 9.994 1.983 -1.611 1.00 42.01 H new ATOM 1131 N LEU A 81 4.477 -2.747 3.531 1.00 41.23 N ATOM 1132 CA LEU A 81 4.008 -3.839 4.343 1.00 35.31 C ATOM 1133 C LEU A 81 5.107 -4.879 4.356 1.00 73.53 C ATOM 1134 O LEU A 81 5.416 -5.463 3.311 1.00 53.15 O ATOM 1135 CB LEU A 81 2.727 -4.431 3.734 1.00 5.45 C ATOM 1136 CG LEU A 81 1.536 -3.472 3.563 1.00 34.34 C ATOM 1137 CD1 LEU A 81 0.414 -4.162 2.818 1.00 43.20 C ATOM 1138 CD2 LEU A 81 1.030 -2.979 4.915 1.00 53.23 C ATOM 0 H LEU A 81 4.029 -2.676 2.618 1.00 41.23 H new ATOM 0 HA LEU A 81 3.776 -3.506 5.354 1.00 35.31 H new ATOM 0 HB2 LEU A 81 2.974 -4.844 2.756 1.00 5.45 H new ATOM 0 HB3 LEU A 81 2.406 -5.264 4.360 1.00 5.45 H new ATOM 0 HG LEU A 81 1.877 -2.611 2.988 1.00 34.34 H new ATOM 0 HD11 LEU A 81 -0.423 -3.474 2.703 1.00 43.20 H new ATOM 0 HD12 LEU A 81 0.767 -4.472 1.834 1.00 43.20 H new ATOM 0 HD13 LEU A 81 0.089 -5.038 3.379 1.00 43.20 H new ATOM 0 HD21 LEU A 81 0.188 -2.303 4.764 1.00 53.23 H new ATOM 0 HD22 LEU A 81 0.709 -3.830 5.516 1.00 53.23 H new ATOM 0 HD23 LEU A 81 1.831 -2.451 5.433 1.00 53.23 H new ATOM 1146 N ILE A 82 5.713 -5.078 5.496 1.00 62.21 N ATOM 1147 CA ILE A 82 6.814 -5.992 5.600 1.00 72.11 C ATOM 1148 C ILE A 82 6.254 -7.387 5.779 1.00 14.22 C ATOM 1149 O ILE A 82 5.655 -7.705 6.809 1.00 44.53 O ATOM 1150 CB ILE A 82 7.741 -5.659 6.788 1.00 74.43 C ATOM 1151 CG1 ILE A 82 8.173 -4.173 6.778 1.00 23.33 C ATOM 1152 CG2 ILE A 82 8.970 -6.547 6.733 1.00 62.23 C ATOM 1153 CD1 ILE A 82 9.022 -3.752 5.590 1.00 42.42 C ATOM 0 H ILE A 82 5.459 -4.616 6.369 1.00 62.21 H new ATOM 0 HA ILE A 82 7.412 -5.916 4.692 1.00 72.11 H new ATOM 0 HB ILE A 82 7.187 -5.839 7.709 1.00 74.43 H new ATOM 0 HG12 ILE A 82 7.278 -3.551 6.803 1.00 23.33 H new ATOM 0 HG13 ILE A 82 8.729 -3.967 7.692 1.00 23.33 H new ATOM 0 HG21 ILE A 82 9.626 -6.313 7.572 1.00 62.23 H new ATOM 0 HG22 ILE A 82 8.666 -7.592 6.790 1.00 62.23 H new ATOM 0 HG23 ILE A 82 9.502 -6.375 5.797 1.00 62.23 H new ATOM 0 HD11 ILE A 82 9.271 -2.695 5.678 1.00 42.42 H new ATOM 0 HD12 ILE A 82 9.939 -4.341 5.571 1.00 42.42 H new ATOM 0 HD13 ILE A 82 8.465 -3.918 4.668 1.00 42.42 H new ATOM 1160 N THR A 83 6.439 -8.198 4.791 1.00 33.15 N ATOM 1161 CA THR A 83 5.871 -9.493 4.770 1.00 32.21 C ATOM 1162 C THR A 83 6.707 -10.559 5.503 1.00 34.41 C ATOM 1163 O THR A 83 6.462 -10.845 6.672 1.00 22.31 O ATOM 1164 CB THR A 83 5.547 -9.922 3.328 1.00 22.40 C ATOM 1165 OG1 THR A 83 6.723 -9.801 2.507 1.00 44.51 O ATOM 1166 CG2 THR A 83 4.440 -9.067 2.747 1.00 70.21 C ATOM 0 H THR A 83 6.997 -7.971 3.968 1.00 33.15 H new ATOM 0 HA THR A 83 4.942 -9.423 5.335 1.00 32.21 H new ATOM 0 HB THR A 83 5.215 -10.960 3.347 1.00 22.40 H new ATOM 0 HG1 THR A 83 6.512 -10.077 1.591 1.00 44.51 H new ATOM 0 HG21 THR A 83 4.229 -9.389 1.727 1.00 70.21 H new ATOM 0 HG22 THR A 83 3.541 -9.173 3.355 1.00 70.21 H new ATOM 0 HG23 THR A 83 4.752 -8.023 2.740 1.00 70.21 H new ATOM 1172 N LYS A 84 7.691 -11.115 4.838 1.00 60.41 N ATOM 1173 CA LYS A 84 8.457 -12.213 5.411 1.00 34.21 C ATOM 1174 C LYS A 84 9.766 -11.726 5.948 1.00 21.11 C ATOM 1175 O LYS A 84 10.088 -10.549 5.842 1.00 34.41 O ATOM 1176 CB LYS A 84 8.740 -13.347 4.379 1.00 53.04 C ATOM 1177 CG LYS A 84 7.521 -13.998 3.736 1.00 14.45 C ATOM 1178 CD LYS A 84 6.885 -13.087 2.710 1.00 3.32 C ATOM 1179 CE LYS A 84 5.572 -13.630 2.223 1.00 73.11 C ATOM 1180 NZ LYS A 84 4.614 -13.784 3.330 1.00 75.23 N ATOM 0 H LYS A 84 7.985 -10.832 3.903 1.00 60.41 H new ATOM 0 HA LYS A 84 7.844 -12.620 6.216 1.00 34.21 H new ATOM 0 HB2 LYS A 84 9.367 -12.939 3.586 1.00 53.04 H new ATOM 0 HB3 LYS A 84 9.320 -14.124 4.876 1.00 53.04 H new ATOM 0 HG2 LYS A 84 7.815 -14.934 3.261 1.00 14.45 H new ATOM 0 HG3 LYS A 84 6.791 -14.247 4.506 1.00 14.45 H new ATOM 0 HD2 LYS A 84 6.731 -12.100 3.145 1.00 3.32 H new ATOM 0 HD3 LYS A 84 7.562 -12.961 1.865 1.00 3.32 H new ATOM 0 HE2 LYS A 84 5.156 -12.961 1.470 1.00 73.11 H new ATOM 0 HE3 LYS A 84 5.731 -14.594 1.740 1.00 73.11 H new ATOM 0 HZ1 LYS A 84 3.668 -13.980 2.946 1.00 75.23 H new ATOM 0 HZ2 LYS A 84 4.911 -14.573 3.939 1.00 75.23 H new ATOM 0 HZ3 LYS A 84 4.586 -12.907 3.889 1.00 75.23 H new ATOM 1194 N LYS A 85 10.515 -12.635 6.534 1.00 10.24 N ATOM 1195 CA LYS A 85 11.851 -12.342 6.982 1.00 54.22 C ATOM 1196 C LYS A 85 12.766 -12.333 5.758 1.00 3.32 C ATOM 1197 O LYS A 85 13.721 -11.557 5.674 1.00 63.33 O ATOM 1198 CB LYS A 85 12.311 -13.402 7.993 1.00 54.43 C ATOM 1199 CG LYS A 85 13.703 -13.168 8.572 1.00 54.01 C ATOM 1200 CD LYS A 85 14.115 -14.276 9.538 1.00 62.34 C ATOM 1201 CE LYS A 85 13.187 -14.360 10.749 1.00 41.11 C ATOM 1202 NZ LYS A 85 13.575 -15.453 11.671 1.00 54.02 N ATOM 0 H LYS A 85 10.213 -13.593 6.711 1.00 10.24 H new ATOM 0 HA LYS A 85 11.884 -11.372 7.478 1.00 54.22 H new ATOM 0 HB2 LYS A 85 11.593 -13.439 8.812 1.00 54.43 H new ATOM 0 HB3 LYS A 85 12.293 -14.378 7.509 1.00 54.43 H new ATOM 0 HG2 LYS A 85 14.428 -13.107 7.760 1.00 54.01 H new ATOM 0 HG3 LYS A 85 13.724 -12.209 9.090 1.00 54.01 H new ATOM 0 HD2 LYS A 85 14.113 -15.232 9.014 1.00 62.34 H new ATOM 0 HD3 LYS A 85 15.136 -14.100 9.876 1.00 62.34 H new ATOM 0 HE2 LYS A 85 13.203 -13.411 11.285 1.00 41.11 H new ATOM 0 HE3 LYS A 85 12.163 -14.517 10.411 1.00 41.11 H new ATOM 0 HZ1 LYS A 85 12.920 -15.475 12.479 1.00 54.02 H new ATOM 0 HZ2 LYS A 85 13.535 -16.362 11.168 1.00 54.02 H new ATOM 0 HZ3 LYS A 85 14.543 -15.290 12.015 1.00 54.02 H new ATOM 1216 N ARG A 86 12.442 -13.215 4.804 1.00 10.13 N ATOM 1217 CA ARG A 86 13.152 -13.332 3.536 1.00 31.54 C ATOM 1218 C ARG A 86 12.148 -13.720 2.459 1.00 21.00 C ATOM 1219 O ARG A 86 11.191 -14.446 2.751 1.00 2.20 O ATOM 1220 CB ARG A 86 14.267 -14.382 3.631 1.00 52.01 C ATOM 1221 CG ARG A 86 15.383 -14.016 4.596 1.00 54.44 C ATOM 1222 CD ARG A 86 16.408 -15.116 4.712 1.00 3.02 C ATOM 1223 NE ARG A 86 17.515 -14.735 5.593 1.00 22.11 N ATOM 1224 CZ ARG A 86 18.111 -15.553 6.466 1.00 31.24 C ATOM 1225 NH1 ARG A 86 17.691 -16.806 6.606 1.00 45.12 N ATOM 1226 NH2 ARG A 86 19.129 -15.113 7.194 1.00 20.21 N ATOM 0 H ARG A 86 11.669 -13.873 4.898 1.00 10.13 H new ATOM 0 HA ARG A 86 13.618 -12.379 3.287 1.00 31.54 H new ATOM 0 HB2 ARG A 86 13.831 -15.332 3.940 1.00 52.01 H new ATOM 0 HB3 ARG A 86 14.694 -14.534 2.640 1.00 52.01 H new ATOM 0 HG2 ARG A 86 15.869 -13.101 4.259 1.00 54.44 H new ATOM 0 HG3 ARG A 86 14.960 -13.809 5.579 1.00 54.44 H new ATOM 0 HD2 ARG A 86 15.932 -16.018 5.096 1.00 3.02 H new ATOM 0 HD3 ARG A 86 16.797 -15.357 3.723 1.00 3.02 H new ATOM 0 HE ARG A 86 17.856 -13.775 5.536 1.00 22.11 H new ATOM 0 HH11 ARG A 86 16.910 -17.148 6.046 1.00 45.12 H new ATOM 0 HH12 ARG A 86 18.149 -17.426 7.274 1.00 45.12 H new ATOM 0 HH21 ARG A 86 19.455 -14.152 7.087 1.00 20.21 H new ATOM 0 HH22 ARG A 86 19.586 -15.735 7.861 1.00 20.21 H new ATOM 1238 N ALA A 87 12.384 -13.292 1.218 1.00 34.31 N ATOM 1239 CA ALA A 87 11.410 -13.499 0.139 1.00 51.23 C ATOM 1240 C ALA A 87 11.209 -14.956 -0.242 1.00 43.34 C ATOM 1241 O ALA A 87 10.134 -15.336 -0.701 1.00 44.44 O ATOM 1242 CB ALA A 87 11.768 -12.679 -1.077 1.00 3.23 C ATOM 0 H ALA A 87 13.233 -12.804 0.934 1.00 34.31 H new ATOM 0 HA ALA A 87 10.455 -13.157 0.538 1.00 51.23 H new ATOM 0 HB1 ALA A 87 11.031 -12.851 -1.861 1.00 3.23 H new ATOM 0 HB2 ALA A 87 11.777 -11.622 -0.813 1.00 3.23 H new ATOM 0 HB3 ALA A 87 12.755 -12.972 -1.436 1.00 3.23 H new ATOM 1248 N SER A 88 12.219 -15.774 -0.044 1.00 62.22 N ATOM 1249 CA SER A 88 12.146 -17.182 -0.416 1.00 42.31 C ATOM 1250 C SER A 88 11.386 -18.054 0.614 1.00 41.13 C ATOM 1251 O SER A 88 11.416 -19.283 0.538 1.00 41.34 O ATOM 1252 CB SER A 88 13.539 -17.729 -0.723 1.00 62.13 C ATOM 1253 OG SER A 88 14.130 -16.999 -1.803 1.00 11.45 O ATOM 0 H SER A 88 13.106 -15.493 0.374 1.00 62.22 H new ATOM 0 HA SER A 88 11.549 -17.238 -1.327 1.00 42.31 H new ATOM 0 HB2 SER A 88 14.170 -17.656 0.163 1.00 62.13 H new ATOM 0 HB3 SER A 88 13.474 -18.786 -0.982 1.00 62.13 H new ATOM 0 HG SER A 88 15.023 -17.357 -1.990 1.00 11.45 H new ATOM 1259 N HIS A 89 10.711 -17.417 1.558 1.00 23.12 N ATOM 1260 CA HIS A 89 9.882 -18.129 2.543 1.00 34.43 C ATOM 1261 C HIS A 89 8.453 -18.220 2.012 1.00 34.12 C ATOM 1262 O HIS A 89 8.113 -17.554 1.032 1.00 32.11 O ATOM 1263 CB HIS A 89 9.870 -17.408 3.907 1.00 4.32 C ATOM 1264 CG HIS A 89 11.192 -17.340 4.622 1.00 42.31 C ATOM 1265 ND1 HIS A 89 11.308 -16.935 5.926 1.00 14.41 N ATOM 1266 CD2 HIS A 89 12.459 -17.591 4.201 1.00 25.52 C ATOM 1267 CE1 HIS A 89 12.567 -16.930 6.276 1.00 14.42 C ATOM 1268 NE2 HIS A 89 13.294 -17.325 5.255 1.00 43.54 N ATOM 0 H HIS A 89 10.715 -16.403 1.671 1.00 23.12 H new ATOM 0 HA HIS A 89 10.305 -19.122 2.691 1.00 34.43 H new ATOM 0 HB2 HIS A 89 9.507 -16.391 3.756 1.00 4.32 H new ATOM 0 HB3 HIS A 89 9.152 -17.910 4.556 1.00 4.32 H new ATOM 0 HD1 HIS A 89 10.529 -16.676 6.532 1.00 14.41 H new ATOM 0 HD2 HIS A 89 12.753 -17.935 3.220 1.00 25.52 H new ATOM 0 HE1 HIS A 89 12.948 -16.647 7.246 1.00 14.42 H new ATOM 1277 N LYS A 90 7.625 -19.029 2.639 1.00 43.11 N ATOM 1278 CA LYS A 90 6.236 -19.159 2.219 1.00 54.10 C ATOM 1279 C LYS A 90 5.354 -18.101 2.894 1.00 63.45 C ATOM 1280 O LYS A 90 5.696 -17.603 3.966 1.00 15.33 O ATOM 1281 CB LYS A 90 5.691 -20.561 2.485 1.00 21.41 C ATOM 1282 CG LYS A 90 6.357 -21.664 1.676 1.00 50.21 C ATOM 1283 CD LYS A 90 5.690 -23.010 1.933 1.00 22.35 C ATOM 1284 CE LYS A 90 4.211 -22.990 1.531 1.00 53.42 C ATOM 1285 NZ LYS A 90 3.542 -24.273 1.797 1.00 42.21 N ATOM 0 H LYS A 90 7.883 -19.607 3.439 1.00 43.11 H new ATOM 0 HA LYS A 90 6.210 -18.993 1.142 1.00 54.10 H new ATOM 0 HB2 LYS A 90 5.806 -20.786 3.545 1.00 21.41 H new ATOM 0 HB3 LYS A 90 4.622 -20.567 2.272 1.00 21.41 H new ATOM 0 HG2 LYS A 90 6.303 -21.424 0.614 1.00 50.21 H new ATOM 0 HG3 LYS A 90 7.414 -21.723 1.936 1.00 50.21 H new ATOM 0 HD2 LYS A 90 6.210 -23.788 1.373 1.00 22.35 H new ATOM 0 HD3 LYS A 90 5.778 -23.265 2.989 1.00 22.35 H new ATOM 0 HE2 LYS A 90 3.700 -22.196 2.076 1.00 53.42 H new ATOM 0 HE3 LYS A 90 4.128 -22.753 0.470 1.00 53.42 H new ATOM 0 HZ1 LYS A 90 2.545 -24.211 1.509 1.00 42.21 H new ATOM 0 HZ2 LYS A 90 4.012 -25.028 1.257 1.00 42.21 H new ATOM 0 HZ3 LYS A 90 3.596 -24.489 2.813 1.00 42.21 H new ATOM 1299 N PRO A 91 4.222 -17.722 2.267 1.00 34.21 N ATOM 1300 CA PRO A 91 3.356 -16.671 2.766 1.00 4.31 C ATOM 1301 C PRO A 91 2.089 -17.142 3.508 1.00 53.31 C ATOM 1302 O PRO A 91 1.449 -18.148 3.139 1.00 75.13 O ATOM 1303 CB PRO A 91 2.943 -15.991 1.469 1.00 54.11 C ATOM 1304 CG PRO A 91 2.957 -17.082 0.422 1.00 34.23 C ATOM 1305 CD PRO A 91 3.712 -18.251 0.996 1.00 14.15 C ATOM 0 HA PRO A 91 3.872 -16.064 3.510 1.00 4.31 H new ATOM 0 HB2 PRO A 91 1.953 -15.544 1.558 1.00 54.11 H new ATOM 0 HB3 PRO A 91 3.633 -15.188 1.209 1.00 54.11 H new ATOM 0 HG2 PRO A 91 1.940 -17.374 0.159 1.00 34.23 H new ATOM 0 HG3 PRO A 91 3.434 -16.729 -0.493 1.00 34.23 H new ATOM 0 HD2 PRO A 91 3.064 -19.114 1.149 1.00 14.15 H new ATOM 0 HD3 PRO A 91 4.520 -18.572 0.339 1.00 14.15 H new ATOM 1313 N THR A 92 1.737 -16.434 4.567 1.00 15.23 N ATOM 1314 CA THR A 92 0.507 -16.646 5.204 1.00 3.02 C ATOM 1315 C THR A 92 -0.386 -15.423 4.948 1.00 63.24 C ATOM 1316 O THR A 92 0.127 -14.332 4.636 1.00 61.43 O ATOM 1317 CB THR A 92 0.737 -16.817 6.700 1.00 75.10 C ATOM 1318 OG1 THR A 92 1.430 -15.682 7.200 1.00 13.43 O ATOM 1319 CG2 THR A 92 1.540 -18.071 6.990 1.00 12.40 C ATOM 0 H THR A 92 2.313 -15.705 4.987 1.00 15.23 H new ATOM 0 HA THR A 92 0.026 -17.544 4.816 1.00 3.02 H new ATOM 0 HB THR A 92 -0.232 -16.912 7.191 1.00 75.10 H new ATOM 0 HG1 THR A 92 2.394 -15.857 7.190 1.00 13.43 H new ATOM 0 HG21 THR A 92 1.689 -18.167 8.066 1.00 12.40 H new ATOM 0 HG22 THR A 92 1.001 -18.942 6.619 1.00 12.40 H new ATOM 0 HG23 THR A 92 2.509 -18.006 6.494 1.00 12.40 H new ATOM 1325 N TYR A 93 -1.685 -15.585 5.034 1.00 74.40 N ATOM 1326 CA TYR A 93 -2.580 -14.449 4.917 1.00 23.41 C ATOM 1327 C TYR A 93 -2.514 -13.572 6.151 1.00 2.20 C ATOM 1328 O TYR A 93 -2.559 -12.350 6.050 1.00 34.13 O ATOM 1329 CB TYR A 93 -4.012 -14.859 4.570 1.00 14.24 C ATOM 1330 CG TYR A 93 -4.174 -15.305 3.132 1.00 42.34 C ATOM 1331 CD1 TYR A 93 -4.356 -14.365 2.128 1.00 52.32 C ATOM 1332 CD2 TYR A 93 -4.146 -16.643 2.775 1.00 61.30 C ATOM 1333 CE1 TYR A 93 -4.502 -14.737 0.813 1.00 40.24 C ATOM 1334 CE2 TYR A 93 -4.294 -17.026 1.452 1.00 30.34 C ATOM 1335 CZ TYR A 93 -4.473 -16.064 0.474 1.00 65.11 C ATOM 1336 OH TYR A 93 -4.614 -16.437 -0.850 1.00 61.33 O ATOM 0 H TYR A 93 -2.147 -16.482 5.183 1.00 74.40 H new ATOM 0 HA TYR A 93 -2.232 -13.853 4.074 1.00 23.41 H new ATOM 0 HB2 TYR A 93 -4.322 -15.668 5.231 1.00 14.24 H new ATOM 0 HB3 TYR A 93 -4.680 -14.019 4.760 1.00 14.24 H new ATOM 0 HD1 TYR A 93 -4.384 -13.317 2.386 1.00 52.32 H new ATOM 0 HD2 TYR A 93 -4.007 -17.396 3.537 1.00 61.30 H new ATOM 0 HE1 TYR A 93 -4.639 -13.986 0.049 1.00 40.24 H new ATOM 0 HE2 TYR A 93 -4.270 -18.072 1.185 1.00 30.34 H new ATOM 0 HH TYR A 93 -5.539 -16.285 -1.136 1.00 61.33 H new ATOM 1346 N GLU A 94 -2.366 -14.210 7.309 1.00 73.23 N ATOM 1347 CA GLU A 94 -2.226 -13.520 8.598 1.00 50.44 C ATOM 1348 C GLU A 94 -1.050 -12.535 8.561 1.00 63.44 C ATOM 1349 O GLU A 94 -1.118 -11.441 9.134 1.00 21.22 O ATOM 1350 CB GLU A 94 -2.019 -14.554 9.701 1.00 3.22 C ATOM 1351 CG GLU A 94 -1.775 -13.972 11.080 1.00 32.14 C ATOM 1352 CD GLU A 94 -1.565 -15.040 12.107 1.00 41.45 C ATOM 1353 OE1 GLU A 94 -0.475 -15.659 12.118 1.00 70.24 O ATOM 1354 OE2 GLU A 94 -2.477 -15.287 12.921 1.00 44.35 O ATOM 0 H GLU A 94 -2.339 -15.227 7.385 1.00 73.23 H new ATOM 0 HA GLU A 94 -3.134 -12.951 8.799 1.00 50.44 H new ATOM 0 HB2 GLU A 94 -2.897 -15.199 9.744 1.00 3.22 H new ATOM 0 HB3 GLU A 94 -1.172 -15.186 9.433 1.00 3.22 H new ATOM 0 HG2 GLU A 94 -0.902 -13.321 11.050 1.00 32.14 H new ATOM 0 HG3 GLU A 94 -2.625 -13.353 11.368 1.00 32.14 H new ATOM 1361 N ASN A 95 0.004 -12.933 7.857 1.00 63.02 N ATOM 1362 CA ASN A 95 1.220 -12.130 7.673 1.00 33.32 C ATOM 1363 C ASN A 95 0.856 -10.759 7.112 1.00 74.10 C ATOM 1364 O ASN A 95 1.283 -9.710 7.613 1.00 31.51 O ATOM 1365 CB ASN A 95 2.093 -12.825 6.630 1.00 23.23 C ATOM 1366 CG ASN A 95 3.447 -12.202 6.439 1.00 32.54 C ATOM 1367 OD1 ASN A 95 3.961 -12.142 5.320 1.00 42.44 O ATOM 1368 ND2 ASN A 95 4.067 -11.832 7.501 1.00 51.03 N ATOM 0 H ASN A 95 0.044 -13.838 7.388 1.00 63.02 H new ATOM 0 HA ASN A 95 1.732 -12.024 8.630 1.00 33.32 H new ATOM 0 HB2 ASN A 95 2.224 -13.868 6.920 1.00 23.23 H new ATOM 0 HB3 ASN A 95 1.568 -12.823 5.675 1.00 23.23 H new ATOM 0 HD21 ASN A 95 5.019 -11.473 7.436 1.00 51.03 H new ATOM 0 HD22 ASN A 95 3.607 -11.897 8.409 1.00 51.03 H new ATOM 1374 N LEU A 96 0.042 -10.791 6.090 1.00 52.32 N ATOM 1375 CA LEU A 96 -0.369 -9.616 5.386 1.00 60.21 C ATOM 1376 C LEU A 96 -1.445 -8.879 6.169 1.00 31.01 C ATOM 1377 O LEU A 96 -1.447 -7.651 6.229 1.00 70.24 O ATOM 1378 CB LEU A 96 -0.869 -10.023 4.002 1.00 45.31 C ATOM 1379 CG LEU A 96 -1.359 -8.912 3.089 1.00 53.23 C ATOM 1380 CD1 LEU A 96 -0.259 -7.890 2.836 1.00 12.42 C ATOM 1381 CD2 LEU A 96 -1.823 -9.504 1.784 1.00 13.14 C ATOM 0 H LEU A 96 -0.359 -11.653 5.721 1.00 52.32 H new ATOM 0 HA LEU A 96 0.474 -8.935 5.273 1.00 60.21 H new ATOM 0 HB2 LEU A 96 -0.062 -10.549 3.492 1.00 45.31 H new ATOM 0 HB3 LEU A 96 -1.682 -10.737 4.133 1.00 45.31 H new ATOM 0 HG LEU A 96 -2.190 -8.401 3.576 1.00 53.23 H new ATOM 0 HD11 LEU A 96 -0.635 -7.105 2.180 1.00 12.42 H new ATOM 0 HD12 LEU A 96 0.055 -7.451 3.783 1.00 12.42 H new ATOM 0 HD13 LEU A 96 0.592 -8.381 2.364 1.00 12.42 H new ATOM 0 HD21 LEU A 96 -2.175 -8.708 1.128 1.00 13.14 H new ATOM 0 HD22 LEU A 96 -0.995 -10.028 1.307 1.00 13.14 H new ATOM 0 HD23 LEU A 96 -2.636 -10.206 1.971 1.00 13.14 H new ATOM 1389 N GLN A 97 -2.328 -9.642 6.785 1.00 72.42 N ATOM 1390 CA GLN A 97 -3.426 -9.123 7.581 1.00 21.22 C ATOM 1391 C GLN A 97 -2.910 -8.191 8.673 1.00 61.24 C ATOM 1392 O GLN A 97 -3.380 -7.060 8.815 1.00 35.20 O ATOM 1393 CB GLN A 97 -4.183 -10.294 8.199 1.00 44.51 C ATOM 1394 CG GLN A 97 -5.388 -9.919 9.032 1.00 2.25 C ATOM 1395 CD GLN A 97 -6.056 -11.143 9.619 1.00 34.14 C ATOM 1396 OE1 GLN A 97 -5.402 -12.152 9.891 1.00 72.11 O ATOM 1397 NE2 GLN A 97 -7.339 -11.080 9.817 1.00 24.42 N ATOM 0 H GLN A 97 -2.302 -10.661 6.746 1.00 72.42 H new ATOM 0 HA GLN A 97 -4.095 -8.548 6.940 1.00 21.22 H new ATOM 0 HB2 GLN A 97 -4.508 -10.958 7.398 1.00 44.51 H new ATOM 0 HB3 GLN A 97 -3.493 -10.862 8.823 1.00 44.51 H new ATOM 0 HG2 GLN A 97 -5.082 -9.249 9.836 1.00 2.25 H new ATOM 0 HG3 GLN A 97 -6.102 -9.373 8.416 1.00 2.25 H new ATOM 0 HE21 GLN A 97 -7.850 -10.230 9.581 1.00 24.42 H new ATOM 0 HE22 GLN A 97 -7.835 -11.881 10.209 1.00 24.42 H new ATOM 1405 N LYS A 98 -1.909 -8.657 9.413 1.00 74.10 N ATOM 1406 CA LYS A 98 -1.322 -7.876 10.498 1.00 22.34 C ATOM 1407 C LYS A 98 -0.669 -6.608 9.975 1.00 52.32 C ATOM 1408 O LYS A 98 -0.660 -5.566 10.650 1.00 52.01 O ATOM 1409 CB LYS A 98 -0.298 -8.699 11.290 1.00 0.34 C ATOM 1410 CG LYS A 98 -0.870 -9.939 11.980 1.00 60.51 C ATOM 1411 CD LYS A 98 -2.037 -9.590 12.897 1.00 55.24 C ATOM 1412 CE LYS A 98 -1.647 -8.582 13.970 1.00 50.02 C ATOM 1413 NZ LYS A 98 -2.808 -8.199 14.794 1.00 15.44 N ATOM 0 H LYS A 98 -1.485 -9.575 9.281 1.00 74.10 H new ATOM 0 HA LYS A 98 -2.137 -7.599 11.167 1.00 22.34 H new ATOM 0 HB2 LYS A 98 0.498 -9.011 10.614 1.00 0.34 H new ATOM 0 HB3 LYS A 98 0.158 -8.058 12.045 1.00 0.34 H new ATOM 0 HG2 LYS A 98 -1.201 -10.654 11.227 1.00 60.51 H new ATOM 0 HG3 LYS A 98 -0.086 -10.427 12.559 1.00 60.51 H new ATOM 0 HD2 LYS A 98 -2.856 -9.185 12.302 1.00 55.24 H new ATOM 0 HD3 LYS A 98 -2.407 -10.498 13.372 1.00 55.24 H new ATOM 0 HE2 LYS A 98 -0.871 -9.007 14.607 1.00 50.02 H new ATOM 0 HE3 LYS A 98 -1.223 -7.694 13.501 1.00 50.02 H new ATOM 0 HZ1 LYS A 98 -2.529 -7.450 15.459 1.00 15.44 H new ATOM 0 HZ2 LYS A 98 -3.570 -7.850 14.179 1.00 15.44 H new ATOM 0 HZ3 LYS A 98 -3.144 -9.027 15.326 1.00 15.44 H new ATOM 1427 N SER A 99 -0.148 -6.690 8.782 1.00 44.31 N ATOM 1428 CA SER A 99 0.507 -5.576 8.155 1.00 14.44 C ATOM 1429 C SER A 99 -0.528 -4.521 7.716 1.00 2.45 C ATOM 1430 O SER A 99 -0.308 -3.311 7.872 1.00 23.32 O ATOM 1431 CB SER A 99 1.334 -6.078 6.974 1.00 61.13 C ATOM 1432 OG SER A 99 2.267 -7.067 7.399 1.00 50.45 O ATOM 0 H SER A 99 -0.166 -7.537 8.214 1.00 44.31 H new ATOM 0 HA SER A 99 1.178 -5.095 8.867 1.00 14.44 H new ATOM 0 HB2 SER A 99 0.675 -6.496 6.213 1.00 61.13 H new ATOM 0 HB3 SER A 99 1.864 -5.244 6.514 1.00 61.13 H new ATOM 0 HG SER A 99 1.823 -7.940 7.440 1.00 50.45 H new ATOM 1438 N LEU A 100 -1.672 -4.989 7.205 1.00 24.13 N ATOM 1439 CA LEU A 100 -2.753 -4.098 6.765 1.00 14.42 C ATOM 1440 C LEU A 100 -3.297 -3.313 7.950 1.00 55.12 C ATOM 1441 O LEU A 100 -3.663 -2.135 7.826 1.00 53.22 O ATOM 1442 CB LEU A 100 -3.907 -4.890 6.124 1.00 45.22 C ATOM 1443 CG LEU A 100 -3.579 -5.759 4.904 1.00 24.13 C ATOM 1444 CD1 LEU A 100 -4.828 -6.456 4.418 1.00 72.21 C ATOM 1445 CD2 LEU A 100 -2.980 -4.937 3.786 1.00 30.15 C ATOM 0 H LEU A 100 -1.874 -5.982 7.085 1.00 24.13 H new ATOM 0 HA LEU A 100 -2.337 -3.418 6.022 1.00 14.42 H new ATOM 0 HB2 LEU A 100 -4.338 -5.535 6.890 1.00 45.22 H new ATOM 0 HB3 LEU A 100 -4.681 -4.180 5.833 1.00 45.22 H new ATOM 0 HG LEU A 100 -2.842 -6.502 5.208 1.00 24.13 H new ATOM 0 HD11 LEU A 100 -4.587 -7.071 3.551 1.00 72.21 H new ATOM 0 HD12 LEU A 100 -5.225 -7.088 5.213 1.00 72.21 H new ATOM 0 HD13 LEU A 100 -5.574 -5.712 4.139 1.00 72.21 H new ATOM 0 HD21 LEU A 100 -2.759 -5.584 2.937 1.00 30.15 H new ATOM 0 HD22 LEU A 100 -3.688 -4.167 3.481 1.00 30.15 H new ATOM 0 HD23 LEU A 100 -2.060 -4.467 4.133 1.00 30.15 H new ATOM 1453 N GLU A 101 -3.326 -3.965 9.097 1.00 60.23 N ATOM 1454 CA GLU A 101 -3.833 -3.349 10.318 1.00 11.45 C ATOM 1455 C GLU A 101 -2.956 -2.195 10.734 1.00 42.21 C ATOM 1456 O GLU A 101 -3.445 -1.134 11.147 1.00 23.44 O ATOM 1457 CB GLU A 101 -3.912 -4.348 11.473 1.00 71.11 C ATOM 1458 CG GLU A 101 -4.814 -5.537 11.236 1.00 61.44 C ATOM 1459 CD GLU A 101 -4.986 -6.358 12.483 1.00 23.13 C ATOM 1460 OE1 GLU A 101 -5.819 -5.974 13.332 1.00 14.21 O ATOM 1461 OE2 GLU A 101 -4.318 -7.389 12.650 1.00 40.00 O ATOM 0 H GLU A 101 -3.004 -4.926 9.213 1.00 60.23 H new ATOM 0 HA GLU A 101 -4.839 -2.993 10.096 1.00 11.45 H new ATOM 0 HB2 GLU A 101 -2.907 -4.712 11.687 1.00 71.11 H new ATOM 0 HB3 GLU A 101 -4.257 -3.823 12.364 1.00 71.11 H new ATOM 0 HG2 GLU A 101 -5.788 -5.192 10.890 1.00 61.44 H new ATOM 0 HG3 GLU A 101 -4.396 -6.159 10.445 1.00 61.44 H new ATOM 1468 N ALA A 102 -1.663 -2.399 10.583 1.00 42.31 N ATOM 1469 CA ALA A 102 -0.671 -1.430 10.973 1.00 62.40 C ATOM 1470 C ALA A 102 -0.806 -0.136 10.187 1.00 14.42 C ATOM 1471 O ALA A 102 -0.744 0.959 10.761 1.00 32.43 O ATOM 1472 CB ALA A 102 0.728 -2.011 10.816 1.00 13.41 C ATOM 0 H ALA A 102 -1.272 -3.252 10.182 1.00 42.31 H new ATOM 0 HA ALA A 102 -0.837 -1.191 12.023 1.00 62.40 H new ATOM 0 HB1 ALA A 102 1.467 -1.267 11.115 1.00 13.41 H new ATOM 0 HB2 ALA A 102 0.828 -2.895 11.446 1.00 13.41 H new ATOM 0 HB3 ALA A 102 0.892 -2.288 9.775 1.00 13.41 H new ATOM 1478 N MET A 103 -1.021 -0.246 8.877 1.00 2.23 N ATOM 1479 CA MET A 103 -1.118 0.946 8.072 1.00 53.53 C ATOM 1480 C MET A 103 -2.425 1.673 8.326 1.00 10.15 C ATOM 1481 O MET A 103 -2.470 2.897 8.251 1.00 35.04 O ATOM 1482 CB MET A 103 -0.897 0.687 6.587 1.00 41.43 C ATOM 1483 CG MET A 103 -1.914 -0.182 5.948 1.00 51.32 C ATOM 1484 SD MET A 103 -1.623 -0.394 4.198 1.00 44.11 S ATOM 1485 CE MET A 103 -3.006 -1.426 3.816 1.00 42.53 C ATOM 0 H MET A 103 -1.127 -1.126 8.372 1.00 2.23 H new ATOM 0 HA MET A 103 -0.302 1.597 8.385 1.00 53.53 H new ATOM 0 HB2 MET A 103 -0.878 1.644 6.065 1.00 41.43 H new ATOM 0 HB3 MET A 103 0.084 0.232 6.454 1.00 41.43 H new ATOM 0 HG2 MET A 103 -1.913 -1.157 6.435 1.00 51.32 H new ATOM 0 HG3 MET A 103 -2.904 0.249 6.100 1.00 51.32 H new ATOM 0 HE1 MET A 103 -2.705 -2.187 3.096 1.00 42.53 H new ATOM 0 HE2 MET A 103 -3.362 -1.909 4.726 1.00 42.53 H new ATOM 0 HE3 MET A 103 -3.806 -0.820 3.390 1.00 42.53 H new ATOM 1495 N LYS A 104 -3.493 0.916 8.635 1.00 35.54 N ATOM 1496 CA LYS A 104 -4.782 1.511 8.952 1.00 40.44 C ATOM 1497 C LYS A 104 -4.663 2.441 10.132 1.00 45.52 C ATOM 1498 O LYS A 104 -5.064 3.613 10.061 1.00 33.02 O ATOM 1499 CB LYS A 104 -5.808 0.471 9.273 1.00 12.13 C ATOM 1500 CG LYS A 104 -7.168 1.110 9.512 1.00 23.14 C ATOM 1501 CD LYS A 104 -8.176 0.135 9.996 1.00 62.53 C ATOM 1502 CE LYS A 104 -7.670 -0.541 11.221 1.00 3.03 C ATOM 1503 NZ LYS A 104 -8.714 -1.354 11.877 1.00 2.23 N ATOM 0 H LYS A 104 -3.479 -0.103 8.669 1.00 35.54 H new ATOM 0 HA LYS A 104 -5.099 2.064 8.068 1.00 40.44 H new ATOM 0 HB2 LYS A 104 -5.876 -0.244 8.453 1.00 12.13 H new ATOM 0 HB3 LYS A 104 -5.503 -0.087 10.158 1.00 12.13 H new ATOM 0 HG2 LYS A 104 -7.065 1.914 10.241 1.00 23.14 H new ATOM 0 HG3 LYS A 104 -7.521 1.563 8.586 1.00 23.14 H new ATOM 0 HD2 LYS A 104 -9.115 0.645 10.211 1.00 62.53 H new ATOM 0 HD3 LYS A 104 -8.384 -0.603 9.221 1.00 62.53 H new ATOM 0 HE2 LYS A 104 -6.825 -1.178 10.960 1.00 3.03 H new ATOM 0 HE3 LYS A 104 -7.300 0.208 11.922 1.00 3.03 H new ATOM 0 HZ1 LYS A 104 -8.267 -2.056 12.500 1.00 2.23 H new ATOM 0 HZ2 LYS A 104 -9.333 -0.736 12.440 1.00 2.23 H new ATOM 0 HZ3 LYS A 104 -9.279 -1.843 11.154 1.00 2.23 H new ATOM 1517 N SER A 105 -4.106 1.919 11.210 1.00 35.14 N ATOM 1518 CA SER A 105 -3.880 2.678 12.413 1.00 1.12 C ATOM 1519 C SER A 105 -3.047 3.930 12.122 1.00 51.21 C ATOM 1520 O SER A 105 -3.374 5.017 12.582 1.00 14.11 O ATOM 1521 CB SER A 105 -3.204 1.790 13.443 1.00 3.43 C ATOM 1522 OG SER A 105 -4.011 0.646 13.688 1.00 33.15 O ATOM 0 H SER A 105 -3.798 0.949 11.269 1.00 35.14 H new ATOM 0 HA SER A 105 -4.836 3.016 12.812 1.00 1.12 H new ATOM 0 HB2 SER A 105 -2.221 1.484 13.085 1.00 3.43 H new ATOM 0 HB3 SER A 105 -3.049 2.343 14.369 1.00 3.43 H new ATOM 0 HG SER A 105 -3.841 -0.028 12.997 1.00 33.15 H new ATOM 1528 N HIS A 106 -2.001 3.777 11.321 1.00 73.22 N ATOM 1529 CA HIS A 106 -1.174 4.914 10.935 1.00 44.32 C ATOM 1530 C HIS A 106 -1.999 5.971 10.186 1.00 2.55 C ATOM 1531 O HIS A 106 -1.871 7.177 10.448 1.00 4.22 O ATOM 1532 CB HIS A 106 0.023 4.469 10.077 1.00 61.11 C ATOM 1533 CG HIS A 106 0.865 5.617 9.580 1.00 25.24 C ATOM 1534 ND1 HIS A 106 0.642 6.234 8.370 1.00 35.42 N ATOM 1535 CD2 HIS A 106 1.898 6.277 10.142 1.00 30.33 C ATOM 1536 CE1 HIS A 106 1.481 7.213 8.212 1.00 23.41 C ATOM 1537 NE2 HIS A 106 2.263 7.267 9.269 1.00 24.21 N ATOM 0 H HIS A 106 -1.706 2.883 10.928 1.00 73.22 H new ATOM 0 HA HIS A 106 -0.791 5.361 11.852 1.00 44.32 H new ATOM 0 HB2 HIS A 106 0.649 3.796 10.662 1.00 61.11 H new ATOM 0 HB3 HIS A 106 -0.344 3.901 9.222 1.00 61.11 H new ATOM 0 HD1 HIS A 106 -0.075 5.963 7.697 1.00 35.42 H new ATOM 0 HD2 HIS A 106 2.351 6.065 11.099 1.00 30.33 H new ATOM 0 HE1 HIS A 106 1.529 7.872 7.357 1.00 23.41 H new ATOM 1546 N CYS A 107 -2.838 5.518 9.267 1.00 21.44 N ATOM 1547 CA CYS A 107 -3.650 6.415 8.463 1.00 21.32 C ATOM 1548 C CYS A 107 -4.589 7.240 9.320 1.00 34.35 C ATOM 1549 O CYS A 107 -4.587 8.461 9.232 1.00 53.54 O ATOM 1550 CB CYS A 107 -4.436 5.657 7.393 1.00 32.03 C ATOM 1551 SG CYS A 107 -3.415 4.765 6.207 1.00 44.43 S ATOM 0 H CYS A 107 -2.974 4.529 9.060 1.00 21.44 H new ATOM 0 HA CYS A 107 -2.962 7.096 7.962 1.00 21.32 H new ATOM 0 HB2 CYS A 107 -5.103 4.949 7.884 1.00 32.03 H new ATOM 0 HB3 CYS A 107 -5.064 6.365 6.852 1.00 32.03 H new ATOM 0 HG CYS A 107 -2.899 3.718 6.780 1.00 44.43 H new ATOM 1557 N LEU A 108 -5.347 6.581 10.183 1.00 72.24 N ATOM 1558 CA LEU A 108 -6.323 7.274 11.002 1.00 73.03 C ATOM 1559 C LEU A 108 -5.702 8.247 12.014 1.00 33.43 C ATOM 1560 O LEU A 108 -6.329 9.219 12.409 1.00 24.14 O ATOM 1561 CB LEU A 108 -7.373 6.306 11.597 1.00 14.52 C ATOM 1562 CG LEU A 108 -6.880 5.148 12.450 1.00 45.20 C ATOM 1563 CD1 LEU A 108 -6.330 5.647 13.756 1.00 15.12 C ATOM 1564 CD2 LEU A 108 -7.993 4.155 12.671 1.00 63.43 C ATOM 0 H LEU A 108 -5.304 5.573 10.332 1.00 72.24 H new ATOM 0 HA LEU A 108 -6.880 7.930 10.333 1.00 73.03 H new ATOM 0 HB2 LEU A 108 -8.064 6.894 12.201 1.00 14.52 H new ATOM 0 HB3 LEU A 108 -7.948 5.889 10.770 1.00 14.52 H new ATOM 0 HG LEU A 108 -6.071 4.643 11.922 1.00 45.20 H new ATOM 0 HD11 LEU A 108 -5.983 4.802 14.351 1.00 15.12 H new ATOM 0 HD12 LEU A 108 -5.497 6.323 13.565 1.00 15.12 H new ATOM 0 HD13 LEU A 108 -7.111 6.178 14.301 1.00 15.12 H new ATOM 0 HD21 LEU A 108 -7.628 3.330 13.283 1.00 63.43 H new ATOM 0 HD22 LEU A 108 -8.823 4.646 13.180 1.00 63.43 H new ATOM 0 HD23 LEU A 108 -8.334 3.770 11.710 1.00 63.43 H new ATOM 1572 N LYS A 109 -4.466 7.985 12.415 1.00 14.21 N ATOM 1573 CA LYS A 109 -3.755 8.891 13.318 1.00 10.35 C ATOM 1574 C LYS A 109 -3.278 10.117 12.575 1.00 53.15 C ATOM 1575 O LYS A 109 -3.391 11.235 13.057 1.00 13.24 O ATOM 1576 CB LYS A 109 -2.550 8.214 13.953 1.00 63.12 C ATOM 1577 CG LYS A 109 -2.881 7.016 14.789 1.00 25.54 C ATOM 1578 CD LYS A 109 -1.635 6.444 15.415 1.00 52.53 C ATOM 1579 CE LYS A 109 -1.934 5.185 16.185 1.00 65.32 C ATOM 1580 NZ LYS A 109 -0.727 4.653 16.842 1.00 31.44 N ATOM 0 H LYS A 109 -3.935 7.161 12.134 1.00 14.21 H new ATOM 0 HA LYS A 109 -4.459 9.177 14.100 1.00 10.35 H new ATOM 0 HB2 LYS A 109 -1.861 7.912 13.164 1.00 63.12 H new ATOM 0 HB3 LYS A 109 -2.026 8.941 14.573 1.00 63.12 H new ATOM 0 HG2 LYS A 109 -3.591 7.295 15.568 1.00 25.54 H new ATOM 0 HG3 LYS A 109 -3.365 6.259 14.173 1.00 25.54 H new ATOM 0 HD2 LYS A 109 -0.901 6.231 14.638 1.00 52.53 H new ATOM 0 HD3 LYS A 109 -1.189 7.182 16.081 1.00 52.53 H new ATOM 0 HE2 LYS A 109 -2.698 5.389 16.935 1.00 65.32 H new ATOM 0 HE3 LYS A 109 -2.343 4.433 15.510 1.00 65.32 H new ATOM 0 HZ1 LYS A 109 -0.969 3.786 17.363 1.00 31.44 H new ATOM 0 HZ2 LYS A 109 -0.008 4.435 16.123 1.00 31.44 H new ATOM 0 HZ3 LYS A 109 -0.351 5.362 17.504 1.00 31.44 H new ATOM 1594 N ASN A 110 -2.750 9.893 11.387 1.00 32.34 N ATOM 1595 CA ASN A 110 -2.169 10.981 10.588 1.00 51.04 C ATOM 1596 C ASN A 110 -3.212 11.707 9.757 1.00 21.12 C ATOM 1597 O ASN A 110 -2.903 12.682 9.081 1.00 71.31 O ATOM 1598 CB ASN A 110 -1.006 10.495 9.678 1.00 60.01 C ATOM 1599 CG ASN A 110 0.257 10.023 10.420 1.00 22.02 C ATOM 1600 OD1 ASN A 110 0.107 9.432 11.570 1.00 65.12 O flip ATOM 1601 ND2 ASN A 110 1.367 10.169 9.920 1.00 54.23 N flip ATOM 0 H ASN A 110 -2.706 8.974 10.946 1.00 32.34 H new ATOM 0 HA ASN A 110 -1.759 11.686 11.311 1.00 51.04 H new ATOM 0 HB2 ASN A 110 -1.370 9.676 9.057 1.00 60.01 H new ATOM 0 HB3 ASN A 110 -0.730 11.307 9.005 1.00 60.01 H new ATOM 0 HD21 ASN A 110 1.463 10.635 9.018 1.00 54.23 H new ATOM 0 HD22 ASN A 110 2.195 9.824 10.406 1.00 54.23 H new ATOM 1607 N GLY A 111 -4.437 11.223 9.800 1.00 52.41 N ATOM 1608 CA GLY A 111 -5.510 11.844 9.053 1.00 55.12 C ATOM 1609 C GLY A 111 -5.457 11.482 7.585 1.00 54.45 C ATOM 1610 O GLY A 111 -6.091 12.129 6.749 1.00 44.45 O ATOM 0 H GLY A 111 -4.713 10.404 10.343 1.00 52.41 H new ATOM 0 HA2 GLY A 111 -6.469 11.535 9.469 1.00 55.12 H new ATOM 0 HA3 GLY A 111 -5.450 12.927 9.163 1.00 55.12 H new ATOM 1614 N VAL A 112 -4.718 10.435 7.278 1.00 33.24 N ATOM 1615 CA VAL A 112 -4.544 9.979 5.920 1.00 74.33 C ATOM 1616 C VAL A 112 -5.812 9.288 5.466 1.00 5.24 C ATOM 1617 O VAL A 112 -6.302 8.369 6.123 1.00 61.23 O ATOM 1618 CB VAL A 112 -3.306 9.044 5.777 1.00 43.30 C ATOM 1619 CG1 VAL A 112 -3.158 8.540 4.349 1.00 72.43 C ATOM 1620 CG2 VAL A 112 -2.060 9.795 6.185 1.00 43.43 C ATOM 0 H VAL A 112 -4.220 9.876 7.970 1.00 33.24 H new ATOM 0 HA VAL A 112 -4.354 10.841 5.281 1.00 74.33 H new ATOM 0 HB VAL A 112 -3.449 8.181 6.427 1.00 43.30 H new ATOM 0 HG11 VAL A 112 -2.285 7.890 4.281 1.00 72.43 H new ATOM 0 HG12 VAL A 112 -4.050 7.981 4.066 1.00 72.43 H new ATOM 0 HG13 VAL A 112 -3.032 9.388 3.675 1.00 72.43 H new ATOM 0 HG21 VAL A 112 -1.193 9.142 6.086 1.00 43.43 H new ATOM 0 HG22 VAL A 112 -1.934 10.667 5.543 1.00 43.43 H new ATOM 0 HG23 VAL A 112 -2.153 10.119 7.222 1.00 43.43 H new ATOM 1626 N THR A 113 -6.354 9.758 4.383 1.00 62.42 N ATOM 1627 CA THR A 113 -7.601 9.259 3.883 1.00 73.12 C ATOM 1628 C THR A 113 -7.416 8.653 2.481 1.00 23.14 C ATOM 1629 O THR A 113 -8.258 7.894 2.002 1.00 42.32 O ATOM 1630 CB THR A 113 -8.606 10.428 3.823 1.00 35.32 C ATOM 1631 OG1 THR A 113 -8.588 11.115 5.094 1.00 51.20 O ATOM 1632 CG2 THR A 113 -10.022 9.930 3.562 1.00 1.30 C ATOM 0 H THR A 113 -5.943 10.501 3.819 1.00 62.42 H new ATOM 0 HA THR A 113 -7.974 8.476 4.544 1.00 73.12 H new ATOM 0 HB THR A 113 -8.317 11.092 3.008 1.00 35.32 H new ATOM 0 HG1 THR A 113 -9.221 11.863 5.071 1.00 51.20 H new ATOM 0 HG21 THR A 113 -10.705 10.779 3.526 1.00 1.30 H new ATOM 0 HG22 THR A 113 -10.051 9.399 2.610 1.00 1.30 H new ATOM 0 HG23 THR A 113 -10.324 9.255 4.363 1.00 1.30 H new ATOM 1638 N ASP A 114 -6.310 8.973 1.851 1.00 62.22 N ATOM 1639 CA ASP A 114 -6.044 8.527 0.493 1.00 72.53 C ATOM 1640 C ASP A 114 -5.033 7.402 0.509 1.00 1.33 C ATOM 1641 O ASP A 114 -3.864 7.622 0.856 1.00 31.24 O ATOM 1642 CB ASP A 114 -5.495 9.682 -0.369 1.00 24.42 C ATOM 1643 CG ASP A 114 -6.427 10.876 -0.484 1.00 24.21 C ATOM 1644 OD1 ASP A 114 -7.413 10.817 -1.262 1.00 35.42 O ATOM 1645 OD2 ASP A 114 -6.191 11.905 0.199 1.00 30.42 O ATOM 0 H ASP A 114 -5.570 9.546 2.257 1.00 62.22 H new ATOM 0 HA ASP A 114 -6.983 8.179 0.063 1.00 72.53 H new ATOM 0 HB2 ASP A 114 -4.547 10.016 0.053 1.00 24.42 H new ATOM 0 HB3 ASP A 114 -5.283 9.304 -1.369 1.00 24.42 H new ATOM 1650 N LEU A 115 -5.468 6.206 0.161 1.00 2.00 N ATOM 1651 CA LEU A 115 -4.584 5.063 0.119 1.00 23.41 C ATOM 1652 C LEU A 115 -4.713 4.448 -1.276 1.00 3.34 C ATOM 1653 O LEU A 115 -5.823 4.116 -1.705 1.00 73.45 O ATOM 1654 CB LEU A 115 -5.056 4.012 1.167 1.00 51.42 C ATOM 1655 CG LEU A 115 -4.040 2.977 1.703 1.00 52.51 C ATOM 1656 CD1 LEU A 115 -3.362 2.193 0.609 1.00 54.13 C ATOM 1657 CD2 LEU A 115 -3.033 3.629 2.615 1.00 32.31 C ATOM 0 H LEU A 115 -6.434 6.003 -0.097 1.00 2.00 H new ATOM 0 HA LEU A 115 -3.557 5.357 0.335 1.00 23.41 H new ATOM 0 HB2 LEU A 115 -5.453 4.557 2.023 1.00 51.42 H new ATOM 0 HB3 LEU A 115 -5.887 3.460 0.728 1.00 51.42 H new ATOM 0 HG LEU A 115 -4.613 2.254 2.284 1.00 52.51 H new ATOM 0 HD11 LEU A 115 -2.661 1.484 1.050 1.00 54.13 H new ATOM 0 HD12 LEU A 115 -4.111 1.651 0.032 1.00 54.13 H new ATOM 0 HD13 LEU A 115 -2.822 2.876 -0.047 1.00 54.13 H new ATOM 0 HD21 LEU A 115 -2.331 2.878 2.977 1.00 32.31 H new ATOM 0 HD22 LEU A 115 -2.490 4.399 2.067 1.00 32.31 H new ATOM 0 HD23 LEU A 115 -3.549 4.082 3.462 1.00 32.31 H new ATOM 1665 N SER A 116 -3.620 4.299 -1.961 1.00 33.42 N ATOM 1666 CA SER A 116 -3.618 3.643 -3.235 1.00 62.40 C ATOM 1667 C SER A 116 -2.660 2.477 -3.250 1.00 24.34 C ATOM 1668 O SER A 116 -1.545 2.551 -2.713 1.00 31.35 O ATOM 1669 CB SER A 116 -3.340 4.607 -4.374 1.00 24.45 C ATOM 1670 OG SER A 116 -4.375 5.569 -4.470 1.00 62.23 O ATOM 0 H SER A 116 -2.705 4.628 -1.654 1.00 33.42 H new ATOM 0 HA SER A 116 -4.622 3.249 -3.393 1.00 62.40 H new ATOM 0 HB2 SER A 116 -2.385 5.106 -4.211 1.00 24.45 H new ATOM 0 HB3 SER A 116 -3.257 4.058 -5.312 1.00 24.45 H new ATOM 0 HG SER A 116 -4.115 6.266 -5.108 1.00 62.23 H new ATOM 1676 N MET A 117 -3.098 1.397 -3.833 1.00 31.33 N ATOM 1677 CA MET A 117 -2.312 0.200 -3.906 1.00 21.33 C ATOM 1678 C MET A 117 -2.472 -0.416 -5.287 1.00 34.11 C ATOM 1679 O MET A 117 -3.493 -0.213 -5.930 1.00 53.14 O ATOM 1680 CB MET A 117 -2.744 -0.779 -2.795 1.00 15.53 C ATOM 1681 CG MET A 117 -4.204 -1.206 -2.862 1.00 23.40 C ATOM 1682 SD MET A 117 -4.696 -2.251 -1.476 1.00 31.12 S ATOM 1683 CE MET A 117 -4.446 -1.134 -0.085 1.00 71.21 C ATOM 0 H MET A 117 -4.015 1.323 -4.273 1.00 31.33 H new ATOM 0 HA MET A 117 -1.258 0.431 -3.751 1.00 21.33 H new ATOM 0 HB2 MET A 117 -2.116 -1.668 -2.847 1.00 15.53 H new ATOM 0 HB3 MET A 117 -2.559 -0.314 -1.827 1.00 15.53 H new ATOM 0 HG2 MET A 117 -4.836 -0.318 -2.883 1.00 23.40 H new ATOM 0 HG3 MET A 117 -4.378 -1.743 -3.795 1.00 23.40 H new ATOM 0 HE1 MET A 117 -4.904 -1.558 0.809 1.00 71.21 H new ATOM 0 HE2 MET A 117 -3.378 -0.997 0.085 1.00 71.21 H new ATOM 0 HE3 MET A 117 -4.904 -0.170 -0.306 1.00 71.21 H new ATOM 1693 N PRO A 118 -1.452 -1.116 -5.784 1.00 61.34 N ATOM 1694 CA PRO A 118 -1.524 -1.759 -7.099 1.00 13.13 C ATOM 1695 C PRO A 118 -2.293 -3.080 -7.026 1.00 61.30 C ATOM 1696 O PRO A 118 -3.233 -3.289 -7.747 1.00 21.25 O ATOM 1697 CB PRO A 118 -0.055 -2.015 -7.441 1.00 34.51 C ATOM 1698 CG PRO A 118 0.670 -2.082 -6.124 1.00 61.21 C ATOM 1699 CD PRO A 118 -0.150 -1.316 -5.120 1.00 41.54 C ATOM 0 HA PRO A 118 -2.044 -1.151 -7.840 1.00 13.13 H new ATOM 0 HB2 PRO A 118 0.060 -2.945 -7.998 1.00 34.51 H new ATOM 0 HB3 PRO A 118 0.345 -1.217 -8.067 1.00 34.51 H new ATOM 0 HG2 PRO A 118 0.796 -3.117 -5.807 1.00 61.21 H new ATOM 0 HG3 PRO A 118 1.668 -1.652 -6.213 1.00 61.21 H new ATOM 0 HD2 PRO A 118 -0.260 -1.873 -4.189 1.00 41.54 H new ATOM 0 HD3 PRO A 118 0.318 -0.364 -4.868 1.00 41.54 H new ATOM 1707 N ARG A 119 -1.829 -3.931 -6.125 1.00 74.32 N ATOM 1708 CA ARG A 119 -2.327 -5.247 -5.752 1.00 13.52 C ATOM 1709 C ARG A 119 -1.314 -5.849 -4.832 1.00 54.40 C ATOM 1710 O ARG A 119 -0.156 -6.031 -5.214 1.00 2.14 O ATOM 1711 CB ARG A 119 -2.569 -6.224 -6.928 1.00 64.24 C ATOM 1712 CG ARG A 119 -3.881 -6.058 -7.657 1.00 44.01 C ATOM 1713 CD ARG A 119 -4.045 -7.111 -8.727 1.00 35.30 C ATOM 1714 NE ARG A 119 -5.334 -7.001 -9.414 1.00 53.42 N ATOM 1715 CZ ARG A 119 -5.745 -7.823 -10.387 1.00 53.33 C ATOM 1716 NH1 ARG A 119 -4.972 -8.848 -10.773 1.00 31.24 N ATOM 1717 NH2 ARG A 119 -6.934 -7.636 -10.958 1.00 63.10 N ATOM 0 H ARG A 119 -1.003 -3.690 -5.577 1.00 74.32 H new ATOM 0 HA ARG A 119 -3.307 -5.100 -5.297 1.00 13.52 H new ATOM 0 HB2 ARG A 119 -1.758 -6.107 -7.646 1.00 64.24 H new ATOM 0 HB3 ARG A 119 -2.513 -7.244 -6.547 1.00 64.24 H new ATOM 0 HG2 ARG A 119 -4.706 -6.124 -6.948 1.00 44.01 H new ATOM 0 HG3 ARG A 119 -3.927 -5.067 -8.108 1.00 44.01 H new ATOM 0 HD2 ARG A 119 -3.238 -7.018 -9.454 1.00 35.30 H new ATOM 0 HD3 ARG A 119 -3.957 -8.100 -8.278 1.00 35.30 H new ATOM 0 HE ARG A 119 -5.961 -6.247 -9.132 1.00 53.42 H new ATOM 0 HH11 ARG A 119 -4.069 -9.003 -10.325 1.00 31.24 H new ATOM 0 HH12 ARG A 119 -5.287 -9.473 -11.515 1.00 31.24 H new ATOM 0 HH21 ARG A 119 -7.531 -6.867 -10.654 1.00 63.10 H new ATOM 0 HH22 ARG A 119 -7.248 -8.262 -11.700 1.00 63.10 H new ATOM 1729 N ILE A 120 -1.709 -6.115 -3.635 1.00 70.14 N ATOM 1730 CA ILE A 120 -0.822 -6.699 -2.673 1.00 51.52 C ATOM 1731 C ILE A 120 -1.331 -8.043 -2.229 1.00 65.33 C ATOM 1732 O ILE A 120 -2.538 -8.267 -2.204 1.00 64.40 O ATOM 1733 CB ILE A 120 -0.468 -5.727 -1.484 1.00 10.13 C ATOM 1734 CG1 ILE A 120 -1.704 -5.028 -0.846 1.00 23.23 C ATOM 1735 CG2 ILE A 120 0.527 -4.686 -1.935 1.00 11.14 C ATOM 1736 CD1 ILE A 120 -2.644 -5.917 -0.080 1.00 53.44 C ATOM 0 H ILE A 120 -2.652 -5.937 -3.290 1.00 70.14 H new ATOM 0 HA ILE A 120 0.135 -6.870 -3.167 1.00 51.52 H new ATOM 0 HB ILE A 120 -0.034 -6.357 -0.707 1.00 10.13 H new ATOM 0 HG12 ILE A 120 -1.348 -4.246 -0.175 1.00 23.23 H new ATOM 0 HG13 ILE A 120 -2.267 -4.536 -1.639 1.00 23.23 H new ATOM 0 HG21 ILE A 120 0.762 -4.022 -1.103 1.00 11.14 H new ATOM 0 HG22 ILE A 120 1.439 -5.177 -2.275 1.00 11.14 H new ATOM 0 HG23 ILE A 120 0.101 -4.105 -2.753 1.00 11.14 H new ATOM 0 HD11 ILE A 120 -3.465 -5.321 0.318 1.00 53.44 H new ATOM 0 HD12 ILE A 120 -3.041 -6.685 -0.744 1.00 53.44 H new ATOM 0 HD13 ILE A 120 -2.108 -6.391 0.742 1.00 53.44 H new ATOM 1743 N GLY A 121 -0.423 -8.946 -1.948 1.00 22.43 N ATOM 1744 CA GLY A 121 -0.818 -10.274 -1.572 1.00 32.11 C ATOM 1745 C GLY A 121 -1.258 -11.046 -2.783 1.00 22.34 C ATOM 1746 O GLY A 121 -2.295 -11.707 -2.770 1.00 25.13 O ATOM 0 H GLY A 121 0.584 -8.785 -1.973 1.00 22.43 H new ATOM 0 HA2 GLY A 121 0.014 -10.786 -1.088 1.00 32.11 H new ATOM 0 HA3 GLY A 121 -1.630 -10.228 -0.846 1.00 32.11 H new ATOM 1750 N CYS A 122 -0.472 -10.963 -3.845 1.00 43.40 N ATOM 1751 CA CYS A 122 -0.850 -11.610 -5.076 1.00 42.43 C ATOM 1752 C CYS A 122 0.341 -12.162 -5.871 1.00 51.52 C ATOM 1753 O CYS A 122 0.598 -13.365 -5.849 1.00 41.31 O ATOM 1754 CB CYS A 122 -1.711 -10.670 -5.929 1.00 53.14 C ATOM 1755 SG CYS A 122 -0.933 -9.066 -6.262 1.00 44.41 S ATOM 0 H CYS A 122 0.416 -10.461 -3.874 1.00 43.40 H new ATOM 0 HA CYS A 122 -1.443 -12.483 -4.803 1.00 42.43 H new ATOM 0 HB2 CYS A 122 -1.935 -11.158 -6.877 1.00 53.14 H new ATOM 0 HB3 CYS A 122 -2.662 -10.504 -5.423 1.00 53.14 H new ATOM 0 HG CYS A 122 -1.327 -8.625 -7.420 1.00 44.41 H new ATOM 1761 N GLY A 123 1.072 -11.272 -6.540 1.00 35.52 N ATOM 1762 CA GLY A 123 2.158 -11.661 -7.435 1.00 31.31 C ATOM 1763 C GLY A 123 3.271 -12.421 -6.761 1.00 12.44 C ATOM 1764 O GLY A 123 3.252 -13.651 -6.699 1.00 30.05 O ATOM 0 H GLY A 123 0.928 -10.264 -6.477 1.00 35.52 H new ATOM 0 HA2 GLY A 123 1.750 -12.273 -8.239 1.00 31.31 H new ATOM 0 HA3 GLY A 123 2.573 -10.765 -7.896 1.00 31.31 H new ATOM 1768 N LEU A 124 4.248 -11.709 -6.276 1.00 72.32 N ATOM 1769 CA LEU A 124 5.372 -12.324 -5.596 1.00 55.21 C ATOM 1770 C LEU A 124 4.970 -12.866 -4.233 1.00 64.35 C ATOM 1771 O LEU A 124 5.673 -13.684 -3.649 1.00 12.03 O ATOM 1772 CB LEU A 124 6.565 -11.367 -5.481 1.00 72.04 C ATOM 1773 CG LEU A 124 7.275 -10.937 -6.782 1.00 73.34 C ATOM 1774 CD1 LEU A 124 7.802 -12.135 -7.544 1.00 71.23 C ATOM 1775 CD2 LEU A 124 6.391 -10.076 -7.669 1.00 42.41 C ATOM 0 H LEU A 124 4.296 -10.692 -6.336 1.00 72.32 H new ATOM 0 HA LEU A 124 5.691 -13.167 -6.209 1.00 55.21 H new ATOM 0 HB2 LEU A 124 6.222 -10.465 -4.974 1.00 72.04 H new ATOM 0 HB3 LEU A 124 7.307 -11.834 -4.834 1.00 72.04 H new ATOM 0 HG LEU A 124 8.124 -10.322 -6.484 1.00 73.34 H new ATOM 0 HD11 LEU A 124 8.296 -11.798 -8.455 1.00 71.23 H new ATOM 0 HD12 LEU A 124 8.516 -12.676 -6.923 1.00 71.23 H new ATOM 0 HD13 LEU A 124 6.974 -12.794 -7.803 1.00 71.23 H new ATOM 0 HD21 LEU A 124 6.938 -9.801 -8.571 1.00 42.41 H new ATOM 0 HD22 LEU A 124 5.497 -10.635 -7.944 1.00 42.41 H new ATOM 0 HD23 LEU A 124 6.103 -9.174 -7.130 1.00 42.41 H new ATOM 1783 N ASP A 125 3.831 -12.401 -3.740 1.00 52.52 N ATOM 1784 CA ASP A 125 3.314 -12.811 -2.436 1.00 32.12 C ATOM 1785 C ASP A 125 2.739 -14.214 -2.512 1.00 11.14 C ATOM 1786 O ASP A 125 2.426 -14.800 -1.502 1.00 21.12 O ATOM 1787 CB ASP A 125 2.205 -11.878 -1.968 1.00 23.23 C ATOM 1788 CG ASP A 125 2.577 -10.420 -1.988 1.00 34.40 C ATOM 1789 OD1 ASP A 125 3.230 -9.947 -1.043 1.00 61.24 O ATOM 1790 OD2 ASP A 125 2.171 -9.724 -2.962 1.00 34.41 O ATOM 0 H ASP A 125 3.238 -11.730 -4.229 1.00 52.52 H new ATOM 0 HA ASP A 125 4.147 -12.777 -1.734 1.00 32.12 H new ATOM 0 HB2 ASP A 125 1.329 -12.027 -2.600 1.00 23.23 H new ATOM 0 HB3 ASP A 125 1.917 -12.154 -0.954 1.00 23.23 H new ATOM 1795 N ARG A 126 2.558 -14.715 -3.749 1.00 51.41 N ATOM 1796 CA ARG A 126 2.053 -16.074 -4.045 1.00 3.32 C ATOM 1797 C ARG A 126 0.592 -16.292 -3.624 1.00 75.00 C ATOM 1798 O ARG A 126 0.074 -17.398 -3.744 1.00 43.44 O ATOM 1799 CB ARG A 126 2.900 -17.138 -3.377 1.00 4.32 C ATOM 1800 CG ARG A 126 4.369 -17.091 -3.708 1.00 13.13 C ATOM 1801 CD ARG A 126 5.038 -18.233 -3.037 1.00 41.40 C ATOM 1802 NE ARG A 126 6.500 -18.178 -3.111 1.00 10.32 N ATOM 1803 CZ ARG A 126 7.319 -19.153 -2.693 1.00 53.32 C ATOM 1804 NH1 ARG A 126 6.819 -20.314 -2.262 1.00 13.13 N ATOM 1805 NH2 ARG A 126 8.634 -18.980 -2.736 1.00 53.43 N ATOM 0 H ARG A 126 2.763 -14.176 -4.590 1.00 51.41 H new ATOM 0 HA ARG A 126 2.113 -16.162 -5.130 1.00 3.32 H new ATOM 0 HB2 ARG A 126 2.784 -17.047 -2.297 1.00 4.32 H new ATOM 0 HB3 ARG A 126 2.512 -18.117 -3.657 1.00 4.32 H new ATOM 0 HG2 ARG A 126 4.516 -17.146 -4.787 1.00 13.13 H new ATOM 0 HG3 ARG A 126 4.803 -16.148 -3.374 1.00 13.13 H new ATOM 0 HD2 ARG A 126 4.736 -18.257 -1.990 1.00 41.40 H new ATOM 0 HD3 ARG A 126 4.694 -19.163 -3.490 1.00 41.40 H new ATOM 0 HE ARG A 126 6.924 -17.340 -3.508 1.00 10.32 H new ATOM 0 HH11 ARG A 126 5.810 -20.462 -2.250 1.00 13.13 H new ATOM 0 HH12 ARG A 126 7.446 -21.053 -1.945 1.00 13.13 H new ATOM 0 HH21 ARG A 126 9.022 -18.105 -3.087 1.00 53.43 H new ATOM 0 HH22 ARG A 126 9.257 -19.722 -2.418 1.00 53.43 H new ATOM 1817 N LEU A 127 -0.063 -15.255 -3.160 1.00 41.21 N ATOM 1818 CA LEU A 127 -1.422 -15.377 -2.629 1.00 23.52 C ATOM 1819 C LEU A 127 -2.468 -14.898 -3.635 1.00 61.41 C ATOM 1820 O LEU A 127 -2.129 -14.374 -4.697 1.00 22.33 O ATOM 1821 CB LEU A 127 -1.540 -14.589 -1.321 1.00 51.13 C ATOM 1822 CG LEU A 127 -0.593 -15.005 -0.184 1.00 4.55 C ATOM 1823 CD1 LEU A 127 -0.791 -14.111 1.025 1.00 3.40 C ATOM 1824 CD2 LEU A 127 -0.802 -16.468 0.195 1.00 11.13 C ATOM 0 H LEU A 127 0.315 -14.308 -3.134 1.00 41.21 H new ATOM 0 HA LEU A 127 -1.615 -16.432 -2.436 1.00 23.52 H new ATOM 0 HB2 LEU A 127 -1.368 -13.535 -1.540 1.00 51.13 H new ATOM 0 HB3 LEU A 127 -2.565 -14.676 -0.961 1.00 51.13 H new ATOM 0 HG LEU A 127 0.431 -14.890 -0.539 1.00 4.55 H new ATOM 0 HD11 LEU A 127 -0.113 -14.419 1.821 1.00 3.40 H new ATOM 0 HD12 LEU A 127 -0.582 -13.077 0.751 1.00 3.40 H new ATOM 0 HD13 LEU A 127 -1.820 -14.193 1.374 1.00 3.40 H new ATOM 0 HD21 LEU A 127 -0.119 -16.736 1.002 1.00 11.13 H new ATOM 0 HD22 LEU A 127 -1.830 -16.615 0.526 1.00 11.13 H new ATOM 0 HD23 LEU A 127 -0.606 -17.100 -0.671 1.00 11.13 H new ATOM 1832 N GLN A 128 -3.734 -15.110 -3.315 1.00 11.42 N ATOM 1833 CA GLN A 128 -4.825 -14.671 -4.178 1.00 50.21 C ATOM 1834 C GLN A 128 -5.427 -13.359 -3.697 1.00 72.23 C ATOM 1835 O GLN A 128 -5.855 -13.249 -2.529 1.00 33.32 O ATOM 1836 CB GLN A 128 -5.945 -15.717 -4.304 1.00 23.35 C ATOM 1837 CG GLN A 128 -5.643 -16.976 -5.110 1.00 63.41 C ATOM 1838 CD GLN A 128 -4.552 -17.854 -4.534 1.00 53.05 C ATOM 1839 OE1 GLN A 128 -3.382 -17.712 -4.865 1.00 64.44 O ATOM 1840 NE2 GLN A 128 -4.928 -18.767 -3.675 1.00 13.24 N ATOM 0 H GLN A 128 -4.035 -15.584 -2.463 1.00 11.42 H new ATOM 0 HA GLN A 128 -4.377 -14.529 -5.162 1.00 50.21 H new ATOM 0 HB2 GLN A 128 -6.235 -16.022 -3.299 1.00 23.35 H new ATOM 0 HB3 GLN A 128 -6.811 -15.230 -4.752 1.00 23.35 H new ATOM 0 HG2 GLN A 128 -6.557 -17.564 -5.194 1.00 63.41 H new ATOM 0 HG3 GLN A 128 -5.358 -16.684 -6.121 1.00 63.41 H new ATOM 0 HE21 GLN A 128 -5.912 -18.856 -3.423 1.00 13.24 H new ATOM 0 HE22 GLN A 128 -4.237 -19.390 -3.257 1.00 13.24 H new ATOM 1848 N TRP A 129 -5.511 -12.400 -4.611 1.00 51.20 N ATOM 1849 CA TRP A 129 -6.081 -11.067 -4.357 1.00 22.12 C ATOM 1850 C TRP A 129 -7.513 -11.126 -3.872 1.00 44.44 C ATOM 1851 O TRP A 129 -7.905 -10.306 -3.079 1.00 33.21 O ATOM 1852 CB TRP A 129 -5.916 -10.143 -5.605 1.00 21.34 C ATOM 1853 CG TRP A 129 -6.752 -8.880 -5.581 1.00 15.24 C ATOM 1854 CD1 TRP A 129 -7.965 -8.719 -6.182 1.00 31.12 C ATOM 1855 CD2 TRP A 129 -6.465 -7.617 -4.932 1.00 2.01 C ATOM 1856 NE1 TRP A 129 -8.453 -7.469 -5.949 1.00 13.32 N ATOM 1857 CE2 TRP A 129 -7.565 -6.769 -5.189 1.00 72.24 C ATOM 1858 CE3 TRP A 129 -5.407 -7.118 -4.162 1.00 2.34 C ATOM 1859 CZ2 TRP A 129 -7.636 -5.466 -4.708 1.00 45.13 C ATOM 1860 CZ3 TRP A 129 -5.492 -5.810 -3.692 1.00 61.51 C ATOM 1861 CH2 TRP A 129 -6.598 -5.011 -3.965 1.00 34.43 C ATOM 0 H TRP A 129 -5.181 -12.521 -5.569 1.00 51.20 H new ATOM 0 HA TRP A 129 -5.512 -10.624 -3.540 1.00 22.12 H new ATOM 0 HB2 TRP A 129 -4.866 -9.864 -5.696 1.00 21.34 H new ATOM 0 HB3 TRP A 129 -6.173 -10.714 -6.497 1.00 21.34 H new ATOM 0 HD1 TRP A 129 -8.469 -9.478 -6.762 1.00 31.12 H new ATOM 0 HE1 TRP A 129 -9.345 -7.112 -6.291 1.00 13.32 H new ATOM 0 HE3 TRP A 129 -4.547 -7.732 -3.938 1.00 2.34 H new ATOM 0 HZ2 TRP A 129 -8.489 -4.838 -4.919 1.00 45.13 H new ATOM 0 HZ3 TRP A 129 -4.682 -5.407 -3.103 1.00 61.51 H new ATOM 0 HH2 TRP A 129 -6.630 -4.004 -3.575 1.00 34.43 H new ATOM 1872 N GLU A 130 -8.272 -12.102 -4.328 1.00 71.14 N ATOM 1873 CA GLU A 130 -9.665 -12.262 -3.904 1.00 75.41 C ATOM 1874 C GLU A 130 -9.744 -12.312 -2.366 1.00 31.05 C ATOM 1875 O GLU A 130 -10.497 -11.552 -1.748 1.00 51.10 O ATOM 1876 CB GLU A 130 -10.262 -13.525 -4.591 1.00 3.33 C ATOM 1877 CG GLU A 130 -11.753 -13.840 -4.334 1.00 71.30 C ATOM 1878 CD GLU A 130 -12.052 -14.382 -2.953 1.00 31.34 C ATOM 1879 OE1 GLU A 130 -11.819 -15.598 -2.714 1.00 21.02 O ATOM 1880 OE2 GLU A 130 -12.539 -13.630 -2.105 1.00 33.22 O ATOM 0 H GLU A 130 -7.953 -12.804 -4.996 1.00 71.14 H new ATOM 0 HA GLU A 130 -10.266 -11.407 -4.215 1.00 75.41 H new ATOM 0 HB2 GLU A 130 -10.121 -13.421 -5.667 1.00 3.33 H new ATOM 0 HB3 GLU A 130 -9.677 -14.388 -4.275 1.00 3.33 H new ATOM 0 HG2 GLU A 130 -12.335 -12.931 -4.487 1.00 71.30 H new ATOM 0 HG3 GLU A 130 -12.091 -14.564 -5.075 1.00 71.30 H new ATOM 1887 N ASN A 131 -8.917 -13.162 -1.766 1.00 45.34 N ATOM 1888 CA ASN A 131 -8.871 -13.309 -0.298 1.00 41.23 C ATOM 1889 C ASN A 131 -8.413 -12.011 0.339 1.00 72.43 C ATOM 1890 O ASN A 131 -9.015 -11.521 1.289 1.00 22.41 O ATOM 1891 CB ASN A 131 -7.877 -14.399 0.116 1.00 51.13 C ATOM 1892 CG ASN A 131 -8.143 -15.743 -0.502 1.00 63.53 C ATOM 1893 OD1 ASN A 131 -7.555 -15.969 -1.639 1.00 41.31 O flip ATOM 1894 ND2 ASN A 131 -8.853 -16.581 0.053 1.00 42.13 N flip ATOM 0 H ASN A 131 -8.264 -13.765 -2.267 1.00 45.34 H new ATOM 0 HA ASN A 131 -9.874 -13.575 0.034 1.00 41.23 H new ATOM 0 HB2 ASN A 131 -6.871 -14.080 -0.156 1.00 51.13 H new ATOM 0 HB3 ASN A 131 -7.897 -14.500 1.201 1.00 51.13 H new ATOM 0 HD21 ASN A 131 -9.296 -16.363 0.945 1.00 42.13 H new ATOM 0 HD22 ASN A 131 -8.998 -17.493 -0.379 1.00 42.13 H new ATOM 1900 N VAL A 132 -7.352 -11.453 -0.214 1.00 1.41 N ATOM 1901 CA VAL A 132 -6.731 -10.244 0.313 1.00 31.13 C ATOM 1902 C VAL A 132 -7.673 -9.047 0.238 1.00 23.31 C ATOM 1903 O VAL A 132 -7.832 -8.311 1.199 1.00 53.42 O ATOM 1904 CB VAL A 132 -5.437 -9.923 -0.444 1.00 40.31 C ATOM 1905 CG1 VAL A 132 -4.793 -8.675 0.110 1.00 63.44 C ATOM 1906 CG2 VAL A 132 -4.478 -11.098 -0.377 1.00 35.44 C ATOM 0 H VAL A 132 -6.892 -11.825 -1.045 1.00 1.41 H new ATOM 0 HA VAL A 132 -6.500 -10.435 1.361 1.00 31.13 H new ATOM 0 HB VAL A 132 -5.685 -9.742 -1.490 1.00 40.31 H new ATOM 0 HG11 VAL A 132 -3.876 -8.464 -0.440 1.00 63.44 H new ATOM 0 HG12 VAL A 132 -5.480 -7.835 0.007 1.00 63.44 H new ATOM 0 HG13 VAL A 132 -4.558 -8.824 1.164 1.00 63.44 H new ATOM 0 HG21 VAL A 132 -3.565 -10.854 -0.919 1.00 35.44 H new ATOM 0 HG22 VAL A 132 -4.236 -11.311 0.664 1.00 35.44 H new ATOM 0 HG23 VAL A 132 -4.944 -11.974 -0.828 1.00 35.44 H new ATOM 1912 N SER A 133 -8.293 -8.885 -0.888 1.00 3.03 N ATOM 1913 CA SER A 133 -9.211 -7.812 -1.130 1.00 51.22 C ATOM 1914 C SER A 133 -10.396 -7.883 -0.133 1.00 52.22 C ATOM 1915 O SER A 133 -10.884 -6.854 0.348 1.00 24.34 O ATOM 1916 CB SER A 133 -9.639 -7.860 -2.620 1.00 75.52 C ATOM 1917 OG SER A 133 -10.566 -6.858 -2.983 1.00 22.54 O ATOM 0 H SER A 133 -8.173 -9.509 -1.686 1.00 3.03 H new ATOM 0 HA SER A 133 -8.742 -6.843 -0.956 1.00 51.22 H new ATOM 0 HB2 SER A 133 -8.752 -7.764 -3.246 1.00 75.52 H new ATOM 0 HB3 SER A 133 -10.074 -8.837 -2.831 1.00 75.52 H new ATOM 0 HG SER A 133 -10.650 -6.828 -3.959 1.00 22.54 H new ATOM 1923 N ALA A 134 -10.818 -9.096 0.203 1.00 61.11 N ATOM 1924 CA ALA A 134 -11.868 -9.291 1.197 1.00 24.15 C ATOM 1925 C ALA A 134 -11.333 -8.938 2.589 1.00 2.22 C ATOM 1926 O ALA A 134 -12.020 -8.288 3.393 1.00 1.41 O ATOM 1927 CB ALA A 134 -12.361 -10.729 1.166 1.00 3.05 C ATOM 0 H ALA A 134 -10.450 -9.959 -0.197 1.00 61.11 H new ATOM 0 HA ALA A 134 -12.707 -8.635 0.964 1.00 24.15 H new ATOM 0 HB1 ALA A 134 -13.144 -10.861 1.912 1.00 3.05 H new ATOM 0 HB2 ALA A 134 -12.760 -10.956 0.177 1.00 3.05 H new ATOM 0 HB3 ALA A 134 -11.533 -11.402 1.386 1.00 3.05 H new ATOM 1933 N MET A 135 -10.095 -9.363 2.842 1.00 11.15 N ATOM 1934 CA MET A 135 -9.366 -9.105 4.095 1.00 62.33 C ATOM 1935 C MET A 135 -9.300 -7.603 4.376 1.00 65.22 C ATOM 1936 O MET A 135 -9.576 -7.157 5.486 1.00 24.31 O ATOM 1937 CB MET A 135 -7.934 -9.638 3.959 1.00 41.02 C ATOM 1938 CG MET A 135 -7.052 -9.444 5.181 1.00 74.25 C ATOM 1939 SD MET A 135 -5.309 -9.799 4.844 1.00 64.14 S ATOM 1940 CE MET A 135 -5.384 -11.469 4.237 1.00 15.04 C ATOM 0 H MET A 135 -9.555 -9.908 2.170 1.00 11.15 H new ATOM 0 HA MET A 135 -9.887 -9.602 4.913 1.00 62.33 H new ATOM 0 HB2 MET A 135 -7.980 -10.703 3.729 1.00 41.02 H new ATOM 0 HB3 MET A 135 -7.461 -9.149 3.108 1.00 41.02 H new ATOM 0 HG2 MET A 135 -7.148 -8.418 5.535 1.00 74.25 H new ATOM 0 HG3 MET A 135 -7.402 -10.092 5.984 1.00 74.25 H new ATOM 0 HE1 MET A 135 -4.373 -11.855 4.109 1.00 15.04 H new ATOM 0 HE2 MET A 135 -5.923 -12.092 4.951 1.00 15.04 H new ATOM 0 HE3 MET A 135 -5.902 -11.485 3.278 1.00 15.04 H new ATOM 1950 N ILE A 136 -8.937 -6.836 3.352 1.00 15.21 N ATOM 1951 CA ILE A 136 -8.813 -5.390 3.438 1.00 13.43 C ATOM 1952 C ILE A 136 -10.113 -4.751 3.959 1.00 64.42 C ATOM 1953 O ILE A 136 -10.084 -3.902 4.861 1.00 5.33 O ATOM 1954 CB ILE A 136 -8.445 -4.793 2.056 1.00 21.03 C ATOM 1955 CG1 ILE A 136 -7.103 -5.362 1.570 1.00 22.21 C ATOM 1956 CG2 ILE A 136 -8.387 -3.280 2.123 1.00 51.34 C ATOM 1957 CD1 ILE A 136 -6.701 -4.922 0.174 1.00 0.25 C ATOM 0 H ILE A 136 -8.718 -7.209 2.428 1.00 15.21 H new ATOM 0 HA ILE A 136 -8.014 -5.166 4.145 1.00 13.43 H new ATOM 0 HB ILE A 136 -9.221 -5.072 1.343 1.00 21.03 H new ATOM 0 HG12 ILE A 136 -6.322 -5.065 2.270 1.00 22.21 H new ATOM 0 HG13 ILE A 136 -7.155 -6.451 1.593 1.00 22.21 H new ATOM 0 HG21 ILE A 136 -8.127 -2.882 1.142 1.00 51.34 H new ATOM 0 HG22 ILE A 136 -9.359 -2.892 2.426 1.00 51.34 H new ATOM 0 HG23 ILE A 136 -7.633 -2.977 2.849 1.00 51.34 H new ATOM 0 HD11 ILE A 136 -5.742 -5.370 -0.087 1.00 0.25 H new ATOM 0 HD12 ILE A 136 -7.458 -5.243 -0.541 1.00 0.25 H new ATOM 0 HD13 ILE A 136 -6.613 -3.836 0.146 1.00 0.25 H new ATOM 1964 N GLU A 137 -11.245 -5.193 3.424 1.00 4.24 N ATOM 1965 CA GLU A 137 -12.540 -4.668 3.846 1.00 10.44 C ATOM 1966 C GLU A 137 -12.834 -5.001 5.305 1.00 13.41 C ATOM 1967 O GLU A 137 -13.541 -4.267 5.984 1.00 2.42 O ATOM 1968 CB GLU A 137 -13.672 -5.169 2.967 1.00 54.44 C ATOM 1969 CG GLU A 137 -13.583 -4.757 1.516 1.00 72.15 C ATOM 1970 CD GLU A 137 -14.816 -5.161 0.749 1.00 40.12 C ATOM 1971 OE1 GLU A 137 -14.869 -6.290 0.228 1.00 65.32 O ATOM 1972 OE2 GLU A 137 -15.758 -4.363 0.672 1.00 22.03 O ATOM 0 H GLU A 137 -11.294 -5.910 2.700 1.00 4.24 H new ATOM 0 HA GLU A 137 -12.479 -3.585 3.740 1.00 10.44 H new ATOM 0 HB2 GLU A 137 -13.698 -6.257 3.019 1.00 54.44 H new ATOM 0 HB3 GLU A 137 -14.616 -4.807 3.375 1.00 54.44 H new ATOM 0 HG2 GLU A 137 -13.451 -3.677 1.451 1.00 72.15 H new ATOM 0 HG3 GLU A 137 -12.704 -5.214 1.061 1.00 72.15 H new ATOM 1979 N GLU A 138 -12.295 -6.110 5.774 1.00 55.53 N ATOM 1980 CA GLU A 138 -12.477 -6.525 7.153 1.00 70.52 C ATOM 1981 C GLU A 138 -11.615 -5.690 8.092 1.00 41.40 C ATOM 1982 O GLU A 138 -11.980 -5.451 9.226 1.00 21.20 O ATOM 1983 CB GLU A 138 -12.160 -8.012 7.337 1.00 23.42 C ATOM 1984 CG GLU A 138 -13.054 -8.945 6.542 1.00 4.24 C ATOM 1985 CD GLU A 138 -14.510 -8.753 6.869 1.00 32.12 C ATOM 1986 OE1 GLU A 138 -14.953 -9.192 7.954 1.00 61.12 O ATOM 1987 OE2 GLU A 138 -15.231 -8.136 6.064 1.00 55.33 O ATOM 0 H GLU A 138 -11.723 -6.744 5.216 1.00 55.53 H new ATOM 0 HA GLU A 138 -13.526 -6.365 7.403 1.00 70.52 H new ATOM 0 HB2 GLU A 138 -11.124 -8.189 7.049 1.00 23.42 H new ATOM 0 HB3 GLU A 138 -12.244 -8.261 8.395 1.00 23.42 H new ATOM 0 HG2 GLU A 138 -12.897 -8.775 5.477 1.00 4.24 H new ATOM 0 HG3 GLU A 138 -12.771 -9.978 6.745 1.00 4.24 H new ATOM 1994 N VAL A 139 -10.467 -5.275 7.619 1.00 75.30 N ATOM 1995 CA VAL A 139 -9.551 -4.479 8.425 1.00 72.44 C ATOM 1996 C VAL A 139 -10.039 -3.023 8.581 1.00 13.41 C ATOM 1997 O VAL A 139 -10.012 -2.468 9.676 1.00 51.13 O ATOM 1998 CB VAL A 139 -8.104 -4.499 7.839 1.00 53.04 C ATOM 1999 CG1 VAL A 139 -7.158 -3.645 8.672 1.00 50.41 C ATOM 2000 CG2 VAL A 139 -7.579 -5.927 7.756 1.00 33.52 C ATOM 0 H VAL A 139 -10.135 -5.472 6.675 1.00 75.30 H new ATOM 0 HA VAL A 139 -9.529 -4.938 9.413 1.00 72.44 H new ATOM 0 HB VAL A 139 -8.149 -4.078 6.834 1.00 53.04 H new ATOM 0 HG11 VAL A 139 -6.159 -3.680 8.238 1.00 50.41 H new ATOM 0 HG12 VAL A 139 -7.513 -2.614 8.684 1.00 50.41 H new ATOM 0 HG13 VAL A 139 -7.124 -4.029 9.692 1.00 50.41 H new ATOM 0 HG21 VAL A 139 -6.569 -5.920 7.345 1.00 33.52 H new ATOM 0 HG22 VAL A 139 -7.562 -6.367 8.753 1.00 33.52 H new ATOM 0 HG23 VAL A 139 -8.229 -6.517 7.110 1.00 33.52 H new ATOM 2006 N PHE A 140 -10.490 -2.443 7.484 1.00 61.00 N ATOM 2007 CA PHE A 140 -10.900 -1.018 7.422 1.00 75.44 C ATOM 2008 C PHE A 140 -12.406 -0.810 7.627 1.00 62.11 C ATOM 2009 O PHE A 140 -12.918 0.302 7.413 1.00 34.12 O ATOM 2010 CB PHE A 140 -10.471 -0.404 6.077 1.00 61.43 C ATOM 2011 CG PHE A 140 -8.981 -0.262 5.897 1.00 42.41 C ATOM 2012 CD1 PHE A 140 -8.193 -1.349 5.556 1.00 0.25 C ATOM 2013 CD2 PHE A 140 -8.376 0.969 6.064 1.00 45.10 C ATOM 2014 CE1 PHE A 140 -6.830 -1.209 5.388 1.00 41.15 C ATOM 2015 CE2 PHE A 140 -7.015 1.120 5.896 1.00 41.23 C ATOM 2016 CZ PHE A 140 -6.239 0.027 5.559 1.00 35.33 C ATOM 0 H PHE A 140 -10.590 -2.935 6.596 1.00 61.00 H new ATOM 0 HA PHE A 140 -10.396 -0.515 8.247 1.00 75.44 H new ATOM 0 HB2 PHE A 140 -10.864 -1.022 5.269 1.00 61.43 H new ATOM 0 HB3 PHE A 140 -10.931 0.579 5.979 1.00 61.43 H new ATOM 0 HD1 PHE A 140 -8.651 -2.318 5.420 1.00 0.25 H new ATOM 0 HD2 PHE A 140 -8.977 1.826 6.330 1.00 45.10 H new ATOM 0 HE1 PHE A 140 -6.227 -2.065 5.123 1.00 41.15 H new ATOM 0 HE2 PHE A 140 -6.557 2.089 6.027 1.00 41.23 H new ATOM 0 HZ PHE A 140 -5.173 0.140 5.430 1.00 35.33 H new ATOM 2026 N GLU A 141 -13.092 -1.851 8.070 1.00 1.51 N ATOM 2027 CA GLU A 141 -14.571 -1.886 8.190 1.00 53.11 C ATOM 2028 C GLU A 141 -15.256 -0.734 8.967 1.00 74.51 C ATOM 2029 O GLU A 141 -16.468 -0.576 8.871 1.00 51.02 O ATOM 2030 CB GLU A 141 -15.058 -3.266 8.663 1.00 32.12 C ATOM 2031 CG GLU A 141 -14.406 -3.821 9.940 1.00 14.33 C ATOM 2032 CD GLU A 141 -14.673 -3.035 11.196 1.00 25.00 C ATOM 2033 OE1 GLU A 141 -15.758 -3.201 11.783 1.00 23.12 O ATOM 2034 OE2 GLU A 141 -13.780 -2.280 11.641 1.00 4.11 O ATOM 0 H GLU A 141 -12.645 -2.719 8.366 1.00 1.51 H new ATOM 0 HA GLU A 141 -14.904 -1.703 7.168 1.00 53.11 H new ATOM 0 HB2 GLU A 141 -16.134 -3.211 8.825 1.00 32.12 H new ATOM 0 HB3 GLU A 141 -14.893 -3.981 7.857 1.00 32.12 H new ATOM 0 HG2 GLU A 141 -14.754 -4.843 10.090 1.00 14.33 H new ATOM 0 HG3 GLU A 141 -13.328 -3.871 9.785 1.00 14.33 H new ATOM 2041 N ALA A 142 -14.512 0.051 9.698 1.00 23.42 N ATOM 2042 CA ALA A 142 -15.107 1.132 10.468 1.00 4.03 C ATOM 2043 C ALA A 142 -14.311 2.425 10.326 1.00 13.34 C ATOM 2044 O ALA A 142 -14.365 3.303 11.193 1.00 70.44 O ATOM 2045 CB ALA A 142 -15.204 0.721 11.919 1.00 71.42 C ATOM 0 H ALA A 142 -13.499 -0.029 9.783 1.00 23.42 H new ATOM 0 HA ALA A 142 -16.107 1.325 10.079 1.00 4.03 H new ATOM 0 HB1 ALA A 142 -15.650 1.530 12.497 1.00 71.42 H new ATOM 0 HB2 ALA A 142 -15.825 -0.171 12.004 1.00 71.42 H new ATOM 0 HB3 ALA A 142 -14.207 0.506 12.304 1.00 71.42 H new ATOM 2051 N THR A 143 -13.612 2.565 9.231 1.00 1.41 N ATOM 2052 CA THR A 143 -12.820 3.756 9.006 1.00 24.42 C ATOM 2053 C THR A 143 -13.304 4.526 7.770 1.00 70.42 C ATOM 2054 O THR A 143 -14.212 4.080 7.076 1.00 43.22 O ATOM 2055 CB THR A 143 -11.319 3.422 8.882 1.00 31.15 C ATOM 2056 OG1 THR A 143 -11.103 2.439 7.859 1.00 25.13 O ATOM 2057 CG2 THR A 143 -10.756 2.924 10.205 1.00 42.21 C ATOM 0 H THR A 143 -13.571 1.875 8.481 1.00 1.41 H new ATOM 0 HA THR A 143 -12.952 4.397 9.878 1.00 24.42 H new ATOM 0 HB THR A 143 -10.797 4.339 8.609 1.00 31.15 H new ATOM 0 HG1 THR A 143 -11.754 1.714 7.960 1.00 25.13 H new ATOM 0 HG21 THR A 143 -9.697 2.697 10.087 1.00 42.21 H new ATOM 0 HG22 THR A 143 -10.879 3.695 10.966 1.00 42.21 H new ATOM 0 HG23 THR A 143 -11.289 2.024 10.511 1.00 42.21 H new ATOM 2063 N ASP A 144 -12.722 5.685 7.516 1.00 63.03 N ATOM 2064 CA ASP A 144 -13.084 6.483 6.336 1.00 73.31 C ATOM 2065 C ASP A 144 -11.954 6.535 5.333 1.00 74.54 C ATOM 2066 O ASP A 144 -12.007 7.310 4.369 1.00 73.24 O ATOM 2067 CB ASP A 144 -13.523 7.911 6.698 1.00 12.24 C ATOM 2068 CG ASP A 144 -14.857 7.987 7.405 1.00 54.15 C ATOM 2069 OD1 ASP A 144 -15.911 7.875 6.729 1.00 65.43 O ATOM 2070 OD2 ASP A 144 -14.881 8.183 8.636 1.00 61.43 O ATOM 0 H ASP A 144 -11.999 6.101 8.102 1.00 63.03 H new ATOM 0 HA ASP A 144 -13.937 5.977 5.884 1.00 73.31 H new ATOM 0 HB2 ASP A 144 -12.761 8.364 7.333 1.00 12.24 H new ATOM 0 HB3 ASP A 144 -13.573 8.506 5.786 1.00 12.24 H new ATOM 2075 N ILE A 145 -10.944 5.703 5.542 1.00 51.13 N ATOM 2076 CA ILE A 145 -9.821 5.641 4.625 1.00 21.44 C ATOM 2077 C ILE A 145 -10.283 5.026 3.314 1.00 41.41 C ATOM 2078 O ILE A 145 -10.936 3.977 3.299 1.00 30.43 O ATOM 2079 CB ILE A 145 -8.572 4.835 5.185 1.00 34.22 C ATOM 2080 CG1 ILE A 145 -7.918 5.510 6.410 1.00 5.23 C ATOM 2081 CG2 ILE A 145 -7.517 4.621 4.109 1.00 73.13 C ATOM 2082 CD1 ILE A 145 -8.721 5.473 7.676 1.00 63.44 C ATOM 0 H ILE A 145 -10.881 5.065 6.335 1.00 51.13 H new ATOM 0 HA ILE A 145 -9.477 6.665 4.481 1.00 21.44 H new ATOM 0 HB ILE A 145 -8.968 3.871 5.504 1.00 34.22 H new ATOM 0 HG12 ILE A 145 -6.957 5.031 6.596 1.00 5.23 H new ATOM 0 HG13 ILE A 145 -7.712 6.551 6.162 1.00 5.23 H new ATOM 0 HG21 ILE A 145 -6.677 4.066 4.528 1.00 73.13 H new ATOM 0 HG22 ILE A 145 -7.949 4.056 3.283 1.00 73.13 H new ATOM 0 HG23 ILE A 145 -7.168 5.587 3.744 1.00 73.13 H new ATOM 0 HD11 ILE A 145 -8.170 5.974 8.471 1.00 63.44 H new ATOM 0 HD12 ILE A 145 -9.672 5.981 7.518 1.00 63.44 H new ATOM 0 HD13 ILE A 145 -8.905 4.437 7.960 1.00 63.44 H new ATOM 2089 N LYS A 146 -9.976 5.690 2.236 1.00 54.43 N ATOM 2090 CA LYS A 146 -10.339 5.226 0.938 1.00 50.52 C ATOM 2091 C LYS A 146 -9.233 4.394 0.395 1.00 21.23 C ATOM 2092 O LYS A 146 -8.068 4.783 0.467 1.00 11.45 O ATOM 2093 CB LYS A 146 -10.504 6.375 -0.007 1.00 51.23 C ATOM 2094 CG LYS A 146 -11.540 7.406 0.363 1.00 23.15 C ATOM 2095 CD LYS A 146 -11.515 8.514 -0.664 1.00 3.03 C ATOM 2096 CE LYS A 146 -10.166 9.247 -0.641 1.00 23.11 C ATOM 2097 NZ LYS A 146 -10.045 10.277 -1.689 1.00 73.23 N ATOM 0 H LYS A 146 -9.464 6.572 2.239 1.00 54.43 H new ATOM 0 HA LYS A 146 -11.270 4.667 1.028 1.00 50.52 H new ATOM 0 HB2 LYS A 146 -9.542 6.878 -0.104 1.00 51.23 H new ATOM 0 HB3 LYS A 146 -10.756 5.975 -0.989 1.00 51.23 H new ATOM 0 HG2 LYS A 146 -12.529 6.950 0.401 1.00 23.15 H new ATOM 0 HG3 LYS A 146 -11.335 7.807 1.356 1.00 23.15 H new ATOM 0 HD2 LYS A 146 -11.692 8.100 -1.657 1.00 3.03 H new ATOM 0 HD3 LYS A 146 -12.321 9.220 -0.464 1.00 3.03 H new ATOM 0 HE2 LYS A 146 -10.030 9.713 0.335 1.00 23.11 H new ATOM 0 HE3 LYS A 146 -9.363 8.520 -0.761 1.00 23.11 H new ATOM 0 HZ1 LYS A 146 -9.070 10.639 -1.709 1.00 73.23 H new ATOM 0 HZ2 LYS A 146 -10.278 9.861 -2.613 1.00 73.23 H new ATOM 0 HZ3 LYS A 146 -10.701 11.058 -1.485 1.00 73.23 H new ATOM 2111 N ILE A 147 -9.574 3.295 -0.161 1.00 51.15 N ATOM 2112 CA ILE A 147 -8.602 2.448 -0.769 1.00 51.52 C ATOM 2113 C ILE A 147 -8.823 2.339 -2.239 1.00 61.24 C ATOM 2114 O ILE A 147 -9.802 1.762 -2.718 1.00 31.43 O ATOM 2115 CB ILE A 147 -8.428 1.086 -0.064 1.00 61.14 C ATOM 2116 CG1 ILE A 147 -7.726 1.336 1.271 1.00 33.21 C ATOM 2117 CG2 ILE A 147 -7.642 0.101 -0.935 1.00 42.22 C ATOM 2118 CD1 ILE A 147 -7.448 0.114 2.095 1.00 41.11 C ATOM 0 H ILE A 147 -10.532 2.950 -0.212 1.00 51.15 H new ATOM 0 HA ILE A 147 -7.636 2.934 -0.630 1.00 51.52 H new ATOM 0 HB ILE A 147 -9.402 0.629 0.109 1.00 61.14 H new ATOM 0 HG12 ILE A 147 -6.781 1.843 1.075 1.00 33.21 H new ATOM 0 HG13 ILE A 147 -8.338 2.019 1.861 1.00 33.21 H new ATOM 0 HG21 ILE A 147 -7.538 -0.848 -0.408 1.00 42.22 H new ATOM 0 HG22 ILE A 147 -8.174 -0.061 -1.872 1.00 42.22 H new ATOM 0 HG23 ILE A 147 -6.654 0.510 -1.145 1.00 42.22 H new ATOM 0 HD11 ILE A 147 -6.949 0.404 3.019 1.00 41.11 H new ATOM 0 HD12 ILE A 147 -8.387 -0.387 2.332 1.00 41.11 H new ATOM 0 HD13 ILE A 147 -6.806 -0.565 1.534 1.00 41.11 H new ATOM 2125 N THR A 148 -7.933 2.927 -2.945 1.00 61.24 N ATOM 2126 CA THR A 148 -7.992 2.981 -4.354 1.00 4.21 C ATOM 2127 C THR A 148 -6.951 2.031 -4.933 1.00 24.10 C ATOM 2128 O THR A 148 -5.756 2.202 -4.731 1.00 12.24 O ATOM 2129 CB THR A 148 -7.727 4.426 -4.816 1.00 54.30 C ATOM 2130 OG1 THR A 148 -8.589 5.302 -4.066 1.00 52.22 O ATOM 2131 CG2 THR A 148 -8.048 4.583 -6.285 1.00 63.15 C ATOM 0 H THR A 148 -7.120 3.397 -2.547 1.00 61.24 H new ATOM 0 HA THR A 148 -8.978 2.677 -4.704 1.00 4.21 H new ATOM 0 HB THR A 148 -6.676 4.668 -4.655 1.00 54.30 H new ATOM 0 HG1 THR A 148 -8.435 6.229 -4.344 1.00 52.22 H new ATOM 0 HG21 THR A 148 -7.854 5.611 -6.592 1.00 63.15 H new ATOM 0 HG22 THR A 148 -7.424 3.906 -6.868 1.00 63.15 H new ATOM 0 HG23 THR A 148 -9.098 4.345 -6.455 1.00 63.15 H new ATOM 2137 N VAL A 149 -7.398 1.022 -5.603 1.00 42.25 N ATOM 2138 CA VAL A 149 -6.498 0.082 -6.188 1.00 22.22 C ATOM 2139 C VAL A 149 -6.487 0.207 -7.694 1.00 71.41 C ATOM 2140 O VAL A 149 -7.538 0.135 -8.362 1.00 43.55 O ATOM 2141 CB VAL A 149 -6.711 -1.385 -5.674 1.00 13.51 C ATOM 2142 CG1 VAL A 149 -8.128 -1.802 -5.761 1.00 40.13 C ATOM 2143 CG2 VAL A 149 -5.838 -2.372 -6.414 1.00 34.21 C ATOM 0 H VAL A 149 -8.386 0.825 -5.760 1.00 42.25 H new ATOM 0 HA VAL A 149 -5.495 0.338 -5.846 1.00 22.22 H new ATOM 0 HB VAL A 149 -6.418 -1.385 -4.624 1.00 13.51 H new ATOM 0 HG11 VAL A 149 -8.230 -2.824 -5.395 1.00 40.13 H new ATOM 0 HG12 VAL A 149 -8.741 -1.136 -5.154 1.00 40.13 H new ATOM 0 HG13 VAL A 149 -8.458 -1.754 -6.799 1.00 40.13 H new ATOM 0 HG21 VAL A 149 -6.016 -3.376 -6.028 1.00 34.21 H new ATOM 0 HG22 VAL A 149 -6.078 -2.344 -7.477 1.00 34.21 H new ATOM 0 HG23 VAL A 149 -4.790 -2.109 -6.271 1.00 34.21 H new ATOM 2149 N TYR A 150 -5.312 0.442 -8.212 1.00 72.31 N ATOM 2150 CA TYR A 150 -5.113 0.670 -9.611 1.00 12.30 C ATOM 2151 C TYR A 150 -4.921 -0.608 -10.365 1.00 24.02 C ATOM 2152 O TYR A 150 -4.021 -1.393 -10.083 1.00 41.41 O ATOM 2153 CB TYR A 150 -3.961 1.646 -9.854 1.00 52.13 C ATOM 2154 CG TYR A 150 -4.293 3.076 -9.480 1.00 41.54 C ATOM 2155 CD1 TYR A 150 -4.397 3.478 -8.155 1.00 53.15 C ATOM 2156 CD2 TYR A 150 -4.509 4.021 -10.467 1.00 22.24 C ATOM 2157 CE1 TYR A 150 -4.711 4.782 -7.830 1.00 43.40 C ATOM 2158 CE2 TYR A 150 -4.816 5.324 -10.152 1.00 20.33 C ATOM 2159 CZ TYR A 150 -4.920 5.700 -8.833 1.00 52.54 C ATOM 2160 OH TYR A 150 -5.235 7.002 -8.516 1.00 71.25 O ATOM 0 H TYR A 150 -4.454 0.480 -7.662 1.00 72.31 H new ATOM 0 HA TYR A 150 -6.023 1.130 -9.996 1.00 12.30 H new ATOM 0 HB2 TYR A 150 -3.093 1.321 -9.281 1.00 52.13 H new ATOM 0 HB3 TYR A 150 -3.680 1.610 -10.907 1.00 52.13 H new ATOM 0 HD1 TYR A 150 -4.230 2.759 -7.367 1.00 53.15 H new ATOM 0 HD2 TYR A 150 -4.435 3.730 -11.504 1.00 22.24 H new ATOM 0 HE1 TYR A 150 -4.792 5.080 -6.795 1.00 43.40 H new ATOM 0 HE2 TYR A 150 -4.975 6.049 -10.937 1.00 20.33 H new ATOM 0 HH TYR A 150 -5.349 7.521 -9.340 1.00 71.25 H new ATOM 2170 N THR A 151 -5.777 -0.802 -11.311 1.00 62.41 N ATOM 2171 CA THR A 151 -5.765 -1.951 -12.136 1.00 53.12 C ATOM 2172 C THR A 151 -5.370 -1.591 -13.558 1.00 62.13 C ATOM 2173 O THR A 151 -6.040 -0.803 -14.231 1.00 22.24 O ATOM 2174 CB THR A 151 -7.129 -2.674 -12.104 1.00 53.02 C ATOM 2175 OG1 THR A 151 -8.210 -1.726 -12.289 1.00 43.13 O ATOM 2176 CG2 THR A 151 -7.323 -3.441 -10.801 1.00 14.23 C ATOM 0 H THR A 151 -6.524 -0.144 -11.534 1.00 62.41 H new ATOM 0 HA THR A 151 -5.017 -2.639 -11.743 1.00 53.12 H new ATOM 0 HB THR A 151 -7.141 -3.392 -12.924 1.00 53.02 H new ATOM 0 HG1 THR A 151 -7.951 -0.858 -11.916 1.00 43.13 H new ATOM 0 HG21 THR A 151 -8.293 -3.938 -10.812 1.00 14.23 H new ATOM 0 HG22 THR A 151 -6.535 -4.187 -10.697 1.00 14.23 H new ATOM 0 HG23 THR A 151 -7.280 -2.748 -9.961 1.00 14.23 H new ATOM 2182 N LEU A 152 -4.269 -2.124 -13.974 1.00 34.01 N ATOM 2183 CA LEU A 152 -3.752 -1.929 -15.304 1.00 12.33 C ATOM 2184 C LEU A 152 -4.471 -2.858 -16.267 1.00 12.24 C ATOM 2185 O LEU A 152 -4.117 -4.045 -16.322 1.00 37.85 O ATOM 2186 CB LEU A 152 -2.222 -2.181 -15.353 1.00 30.00 C ATOM 2187 CG LEU A 152 -1.300 -1.233 -14.558 1.00 71.52 C ATOM 2188 CD1 LEU A 152 -1.641 -1.241 -13.105 1.00 43.32 C ATOM 2189 CD2 LEU A 152 0.144 -1.652 -14.727 1.00 52.14 C ATOM 2190 OXT LEU A 152 -5.413 -2.413 -16.953 1.00 37.85 O ATOM 0 H LEU A 152 -3.684 -2.723 -13.391 1.00 34.01 H new ATOM 0 HA LEU A 152 -3.927 -0.894 -15.598 1.00 12.33 H new ATOM 0 HB2 LEU A 152 -2.040 -3.196 -14.999 1.00 30.00 H new ATOM 0 HB3 LEU A 152 -1.913 -2.148 -16.398 1.00 30.00 H new ATOM 0 HG LEU A 152 -1.444 -0.225 -14.948 1.00 71.52 H new ATOM 0 HD11 LEU A 152 -0.974 -0.564 -12.571 1.00 43.32 H new ATOM 0 HD12 LEU A 152 -2.673 -0.915 -12.972 1.00 43.32 H new ATOM 0 HD13 LEU A 152 -1.525 -2.250 -12.710 1.00 43.32 H new ATOM 0 HD21 LEU A 152 0.787 -0.977 -14.162 1.00 52.14 H new ATOM 0 HD22 LEU A 152 0.273 -2.670 -14.358 1.00 52.14 H new ATOM 0 HD23 LEU A 152 0.413 -1.612 -15.782 1.00 52.14 H new