USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 801 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 TYR OH : rot 130:sc= -0.369 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.477 X(o=-0.48,f=-0.13) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.0604 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc=-0.00554 X(o=-0.0055,f=-0.00094) USER MOD Single : A 29 ASN : amide:sc=-0.00954 K(o=-0.0095,f=-3.7!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 172:sc= -0.0148 (180deg=-0.0853) USER MOD Single : A 52 LYS NZ :NH3+ 143:sc= 0.00227 (180deg=0) USER MOD Single : A 55 HIS : no HE2:sc= 0.321 K(o=0.32,f=-1.7) USER MOD Single : A 61 LYS NZ :NH3+ 179:sc= 0.838 (180deg=0.828) USER MOD Single : A 64 MET CE :methyl 170:sc= 0 (180deg=-0.0221) USER MOD Single : A 65 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0294) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0483 USER MOD Single : A 73 ASN : amide:sc= -0.0645 X(o=-0.065,f=-0.15) USER MOD Single : A 75 THR OG1 : rot 17:sc= -0.501 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -172:sc= -0.925 (180deg=-1.33) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 30:sc= 0.699 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= 0.785 K(o=0.78,f=-4.1!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -1.52! X(o=-1.5!,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 91 N TYR A 7 1.327 -14.166 8.082 1.00 43.24 N ATOM 92 CA TYR A 7 0.828 -12.805 7.960 1.00 10.30 C ATOM 93 C TYR A 7 1.031 -12.291 6.534 1.00 5.40 C ATOM 94 O TYR A 7 2.154 -12.273 6.022 1.00 5.34 O ATOM 95 CB TYR A 7 1.545 -11.901 8.965 1.00 63.15 C ATOM 96 CG TYR A 7 0.812 -10.612 9.268 1.00 22.02 C ATOM 97 CD1 TYR A 7 -0.296 -10.606 10.106 1.00 2.21 C ATOM 98 CD2 TYR A 7 1.235 -9.403 8.734 1.00 62.32 C ATOM 99 CE1 TYR A 7 -0.964 -9.433 10.400 1.00 51.11 C ATOM 100 CE2 TYR A 7 0.570 -8.225 9.022 1.00 42.41 C ATOM 101 CZ TYR A 7 -0.527 -8.246 9.856 1.00 22.54 C ATOM 102 OH TYR A 7 -1.187 -7.077 10.150 1.00 23.05 O ATOM 0 HA TYR A 7 -0.240 -12.795 8.177 1.00 10.30 H new ATOM 0 HB2 TYR A 7 1.689 -12.452 9.895 1.00 63.15 H new ATOM 0 HB3 TYR A 7 2.536 -11.661 8.579 1.00 63.15 H new ATOM 0 HD1 TYR A 7 -0.641 -11.535 10.535 1.00 2.21 H new ATOM 0 HD2 TYR A 7 2.097 -9.382 8.083 1.00 62.32 H new ATOM 0 HE1 TYR A 7 -1.824 -9.447 11.053 1.00 51.11 H new ATOM 0 HE2 TYR A 7 0.909 -7.293 8.595 1.00 42.41 H new ATOM 0 HH TYR A 7 -0.540 -6.399 10.435 1.00 23.05 H new ATOM 112 N THR A 8 -0.059 -11.898 5.893 1.00 33.51 N ATOM 113 CA THR A 8 -0.010 -11.392 4.530 1.00 3.50 C ATOM 114 C THR A 8 -0.249 -9.884 4.503 1.00 61.23 C ATOM 115 O THR A 8 -0.681 -9.300 5.500 1.00 52.32 O ATOM 116 CB THR A 8 -1.044 -12.106 3.634 1.00 13.22 C ATOM 117 OG1 THR A 8 -2.334 -12.097 4.262 1.00 10.40 O ATOM 118 CG2 THR A 8 -0.619 -13.539 3.355 1.00 62.14 C ATOM 0 H THR A 8 -0.995 -11.920 6.299 1.00 33.51 H new ATOM 0 HA THR A 8 0.986 -11.597 4.138 1.00 3.50 H new ATOM 0 HB THR A 8 -1.101 -11.569 2.687 1.00 13.22 H new ATOM 0 HG1 THR A 8 -2.982 -12.551 3.684 1.00 10.40 H new ATOM 0 HG21 THR A 8 -1.363 -14.022 2.722 1.00 62.14 H new ATOM 0 HG22 THR A 8 0.346 -13.540 2.847 1.00 62.14 H new ATOM 0 HG23 THR A 8 -0.535 -14.083 4.296 1.00 62.14 H new ATOM 126 N VAL A 9 0.027 -9.260 3.361 1.00 51.12 N ATOM 127 CA VAL A 9 -0.092 -7.809 3.228 1.00 41.32 C ATOM 128 C VAL A 9 -1.549 -7.353 3.360 1.00 43.42 C ATOM 129 O VAL A 9 -1.820 -6.222 3.767 1.00 60.51 O ATOM 130 CB VAL A 9 0.496 -7.322 1.881 1.00 71.34 C ATOM 131 CG1 VAL A 9 -0.285 -7.887 0.707 1.00 43.34 C ATOM 132 CG2 VAL A 9 0.534 -5.802 1.813 1.00 52.55 C ATOM 0 H VAL A 9 0.335 -9.736 2.513 1.00 51.12 H new ATOM 0 HA VAL A 9 0.482 -7.363 4.040 1.00 41.32 H new ATOM 0 HB VAL A 9 1.520 -7.690 1.819 1.00 71.34 H new ATOM 0 HG11 VAL A 9 0.150 -7.528 -0.226 1.00 43.34 H new ATOM 0 HG12 VAL A 9 -0.243 -8.976 0.732 1.00 43.34 H new ATOM 0 HG13 VAL A 9 -1.324 -7.563 0.771 1.00 43.34 H new ATOM 0 HG21 VAL A 9 0.952 -5.491 0.856 1.00 52.55 H new ATOM 0 HG22 VAL A 9 -0.477 -5.408 1.913 1.00 52.55 H new ATOM 0 HG23 VAL A 9 1.155 -5.417 2.622 1.00 52.55 H new ATOM 142 N ALA A 10 -2.483 -8.244 3.042 1.00 71.21 N ATOM 143 CA ALA A 10 -3.905 -7.933 3.138 1.00 70.43 C ATOM 144 C ALA A 10 -4.300 -7.617 4.577 1.00 73.42 C ATOM 145 O ALA A 10 -5.083 -6.705 4.826 1.00 25.12 O ATOM 146 CB ALA A 10 -4.740 -9.087 2.605 1.00 52.41 C ATOM 0 H ALA A 10 -2.280 -9.189 2.715 1.00 71.21 H new ATOM 0 HA ALA A 10 -4.098 -7.050 2.529 1.00 70.43 H new ATOM 0 HB1 ALA A 10 -5.798 -8.838 2.684 1.00 52.41 H new ATOM 0 HB2 ALA A 10 -4.487 -9.267 1.560 1.00 52.41 H new ATOM 0 HB3 ALA A 10 -4.534 -9.985 3.188 1.00 52.41 H new ATOM 152 N GLN A 11 -3.739 -8.368 5.517 1.00 45.54 N ATOM 153 CA GLN A 11 -4.030 -8.164 6.930 1.00 30.52 C ATOM 154 C GLN A 11 -3.272 -6.958 7.463 1.00 65.41 C ATOM 155 O GLN A 11 -3.729 -6.284 8.386 1.00 11.41 O ATOM 156 CB GLN A 11 -3.678 -9.416 7.737 1.00 15.03 C ATOM 157 CG GLN A 11 -4.560 -10.609 7.414 1.00 51.13 C ATOM 158 CD GLN A 11 -6.019 -10.357 7.738 1.00 61.52 C ATOM 159 OE1 GLN A 11 -6.478 -10.634 8.842 1.00 71.32 O ATOM 160 NE2 GLN A 11 -6.754 -9.825 6.776 1.00 15.32 N ATOM 0 H GLN A 11 -3.080 -9.123 5.326 1.00 45.54 H new ATOM 0 HA GLN A 11 -5.098 -7.974 7.036 1.00 30.52 H new ATOM 0 HB2 GLN A 11 -2.638 -9.681 7.548 1.00 15.03 H new ATOM 0 HB3 GLN A 11 -3.761 -9.189 8.800 1.00 15.03 H new ATOM 0 HG2 GLN A 11 -4.463 -10.853 6.356 1.00 51.13 H new ATOM 0 HG3 GLN A 11 -4.211 -11.477 7.974 1.00 51.13 H new ATOM 0 HE21 GLN A 11 -6.333 -9.610 5.872 1.00 15.32 H new ATOM 0 HE22 GLN A 11 -7.742 -9.630 6.938 1.00 15.32 H new ATOM 169 N LEU A 12 -2.119 -6.683 6.859 1.00 61.40 N ATOM 170 CA LEU A 12 -1.310 -5.530 7.235 1.00 52.23 C ATOM 171 C LEU A 12 -2.079 -4.238 6.965 1.00 24.04 C ATOM 172 O LEU A 12 -1.945 -3.259 7.699 1.00 74.53 O ATOM 173 CB LEU A 12 0.016 -5.536 6.462 1.00 55.35 C ATOM 174 CG LEU A 12 0.983 -4.401 6.811 1.00 20.21 C ATOM 175 CD1 LEU A 12 1.396 -4.479 8.274 1.00 22.31 C ATOM 176 CD2 LEU A 12 2.206 -4.447 5.905 1.00 15.21 C ATOM 0 H LEU A 12 -1.724 -7.245 6.105 1.00 61.40 H new ATOM 0 HA LEU A 12 -1.089 -5.588 8.301 1.00 52.23 H new ATOM 0 HB2 LEU A 12 0.518 -6.487 6.642 1.00 55.35 H new ATOM 0 HB3 LEU A 12 -0.204 -5.488 5.396 1.00 55.35 H new ATOM 0 HG LEU A 12 0.472 -3.452 6.651 1.00 20.21 H new ATOM 0 HD11 LEU A 12 2.083 -3.664 8.502 1.00 22.31 H new ATOM 0 HD12 LEU A 12 0.512 -4.396 8.906 1.00 22.31 H new ATOM 0 HD13 LEU A 12 1.889 -5.433 8.463 1.00 22.31 H new ATOM 0 HD21 LEU A 12 2.883 -3.634 6.166 1.00 15.21 H new ATOM 0 HD22 LEU A 12 2.718 -5.401 6.033 1.00 15.21 H new ATOM 0 HD23 LEU A 12 1.894 -4.340 4.866 1.00 15.21 H new ATOM 188 N ALA A 13 -2.892 -4.254 5.913 1.00 60.25 N ATOM 189 CA ALA A 13 -3.744 -3.119 5.584 1.00 43.20 C ATOM 190 C ALA A 13 -4.758 -2.871 6.695 1.00 54.20 C ATOM 191 O ALA A 13 -4.994 -1.728 7.090 1.00 3.32 O ATOM 192 CB ALA A 13 -4.452 -3.355 4.256 1.00 30.12 C ATOM 0 H ALA A 13 -2.978 -5.043 5.273 1.00 60.25 H new ATOM 0 HA ALA A 13 -3.117 -2.232 5.489 1.00 43.20 H new ATOM 0 HB1 ALA A 13 -5.085 -2.498 4.024 1.00 30.12 H new ATOM 0 HB2 ALA A 13 -3.711 -3.484 3.467 1.00 30.12 H new ATOM 0 HB3 ALA A 13 -5.067 -4.252 4.326 1.00 30.12 H new ATOM 198 N ASP A 14 -5.343 -3.952 7.203 1.00 71.52 N ATOM 199 CA ASP A 14 -6.296 -3.867 8.305 1.00 3.22 C ATOM 200 C ASP A 14 -5.621 -3.342 9.565 1.00 45.30 C ATOM 201 O ASP A 14 -6.136 -2.442 10.228 1.00 51.32 O ATOM 202 CB ASP A 14 -6.930 -5.230 8.588 1.00 24.13 C ATOM 203 CG ASP A 14 -8.199 -5.464 7.794 1.00 60.55 C ATOM 204 OD1 ASP A 14 -9.273 -5.019 8.246 1.00 62.24 O ATOM 205 OD2 ASP A 14 -8.133 -6.102 6.725 1.00 22.20 O ATOM 0 H ASP A 14 -5.173 -4.900 6.868 1.00 71.52 H new ATOM 0 HA ASP A 14 -7.081 -3.171 8.009 1.00 3.22 H new ATOM 0 HB2 ASP A 14 -6.211 -6.015 8.355 1.00 24.13 H new ATOM 0 HB3 ASP A 14 -7.153 -5.308 9.652 1.00 24.13 H new ATOM 210 N GLU A 15 -4.462 -3.903 9.883 1.00 1.33 N ATOM 211 CA GLU A 15 -3.697 -3.476 11.049 1.00 52.33 C ATOM 212 C GLU A 15 -3.356 -1.992 10.951 1.00 51.50 C ATOM 213 O GLU A 15 -3.562 -1.227 11.892 1.00 53.01 O ATOM 214 CB GLU A 15 -2.413 -4.305 11.153 1.00 20.13 C ATOM 215 CG GLU A 15 -1.526 -3.946 12.338 1.00 55.04 C ATOM 216 CD GLU A 15 -2.205 -4.173 13.672 1.00 13.33 C ATOM 217 OE1 GLU A 15 -2.339 -5.344 14.088 1.00 50.43 O ATOM 218 OE2 GLU A 15 -2.595 -3.184 14.319 1.00 55.24 O ATOM 0 H GLU A 15 -4.029 -4.657 9.349 1.00 1.33 H new ATOM 0 HA GLU A 15 -4.301 -3.632 11.943 1.00 52.33 H new ATOM 0 HB2 GLU A 15 -2.680 -5.359 11.221 1.00 20.13 H new ATOM 0 HB3 GLU A 15 -1.839 -4.181 10.235 1.00 20.13 H new ATOM 0 HG2 GLU A 15 -0.613 -4.540 12.295 1.00 55.04 H new ATOM 0 HG3 GLU A 15 -1.230 -2.900 12.260 1.00 55.04 H new ATOM 225 N TYR A 16 -2.863 -1.588 9.790 1.00 50.42 N ATOM 226 CA TYR A 16 -2.395 -0.227 9.587 1.00 12.33 C ATOM 227 C TYR A 16 -3.533 0.793 9.664 1.00 21.10 C ATOM 228 O TYR A 16 -3.379 1.853 10.277 1.00 45.44 O ATOM 229 CB TYR A 16 -1.678 -0.110 8.240 1.00 60.22 C ATOM 230 CG TYR A 16 -1.063 1.249 7.995 1.00 22.01 C ATOM 231 CD1 TYR A 16 0.235 1.529 8.404 1.00 44.44 C ATOM 232 CD2 TYR A 16 -1.783 2.254 7.364 1.00 54.45 C ATOM 233 CE1 TYR A 16 0.795 2.772 8.187 1.00 23.11 C ATOM 234 CE2 TYR A 16 -1.227 3.496 7.145 1.00 71.34 C ATOM 235 CZ TYR A 16 0.059 3.750 7.557 1.00 24.25 C ATOM 236 OH TYR A 16 0.607 4.988 7.340 1.00 32.10 O ATOM 0 H TYR A 16 -2.777 -2.188 8.970 1.00 50.42 H new ATOM 0 HA TYR A 16 -1.697 -0.001 10.393 1.00 12.33 H new ATOM 0 HB2 TYR A 16 -0.896 -0.868 8.188 1.00 60.22 H new ATOM 0 HB3 TYR A 16 -2.387 -0.328 7.441 1.00 60.22 H new ATOM 0 HD1 TYR A 16 0.814 0.763 8.899 1.00 44.44 H new ATOM 0 HD2 TYR A 16 -2.795 2.060 7.040 1.00 54.45 H new ATOM 0 HE1 TYR A 16 1.805 2.976 8.510 1.00 23.11 H new ATOM 0 HE2 TYR A 16 -1.800 4.267 6.651 1.00 71.34 H new ATOM 0 HH TYR A 16 -0.046 5.559 6.884 1.00 32.10 H new ATOM 246 N PHE A 17 -4.672 0.489 9.048 1.00 40.21 N ATOM 247 CA PHE A 17 -5.757 1.461 8.984 1.00 33.12 C ATOM 248 C PHE A 17 -6.434 1.598 10.350 1.00 14.02 C ATOM 249 O PHE A 17 -6.961 2.654 10.686 1.00 33.15 O ATOM 250 CB PHE A 17 -6.763 1.122 7.864 1.00 73.13 C ATOM 251 CG PHE A 17 -7.989 0.356 8.283 1.00 75.15 C ATOM 252 CD1 PHE A 17 -7.996 -1.024 8.294 1.00 41.45 C ATOM 253 CD2 PHE A 17 -9.150 1.029 8.637 1.00 51.13 C ATOM 254 CE1 PHE A 17 -9.129 -1.723 8.657 1.00 42.21 C ATOM 255 CE2 PHE A 17 -10.286 0.336 8.997 1.00 22.03 C ATOM 256 CZ PHE A 17 -10.275 -1.043 9.009 1.00 11.10 C ATOM 0 H PHE A 17 -4.865 -0.404 8.595 1.00 40.21 H new ATOM 0 HA PHE A 17 -5.331 2.431 8.728 1.00 33.12 H new ATOM 0 HB2 PHE A 17 -7.084 2.054 7.398 1.00 73.13 H new ATOM 0 HB3 PHE A 17 -6.243 0.545 7.099 1.00 73.13 H new ATOM 0 HD1 PHE A 17 -7.103 -1.564 8.015 1.00 41.45 H new ATOM 0 HD2 PHE A 17 -9.164 2.109 8.630 1.00 51.13 H new ATOM 0 HE1 PHE A 17 -9.118 -2.803 8.665 1.00 42.21 H new ATOM 0 HE2 PHE A 17 -11.183 0.872 9.269 1.00 22.03 H new ATOM 0 HZ PHE A 17 -11.162 -1.589 9.294 1.00 11.10 H new ATOM 266 N GLU A 18 -6.396 0.533 11.143 1.00 15.13 N ATOM 267 CA GLU A 18 -6.880 0.592 12.521 1.00 71.13 C ATOM 268 C GLU A 18 -5.968 1.472 13.377 1.00 63.25 C ATOM 269 O GLU A 18 -6.368 1.955 14.435 1.00 14.24 O ATOM 270 CB GLU A 18 -6.980 -0.812 13.122 1.00 63.45 C ATOM 271 CG GLU A 18 -8.214 -1.586 12.677 1.00 13.43 C ATOM 272 CD GLU A 18 -9.505 -0.973 13.189 1.00 10.25 C ATOM 273 OE1 GLU A 18 -9.672 -0.871 14.423 1.00 4.51 O ATOM 274 OE2 GLU A 18 -10.360 -0.582 12.365 1.00 34.33 O ATOM 0 H GLU A 18 -6.037 -0.379 10.859 1.00 15.13 H new ATOM 0 HA GLU A 18 -7.876 1.034 12.510 1.00 71.13 H new ATOM 0 HB2 GLU A 18 -6.090 -1.378 12.849 1.00 63.45 H new ATOM 0 HB3 GLU A 18 -6.985 -0.732 14.209 1.00 63.45 H new ATOM 0 HG2 GLU A 18 -8.241 -1.624 11.588 1.00 13.43 H new ATOM 0 HG3 GLU A 18 -8.140 -2.615 13.030 1.00 13.43 H new ATOM 281 N ARG A 19 -4.735 1.661 12.920 1.00 71.22 N ATOM 282 CA ARG A 19 -3.765 2.480 13.639 1.00 30.01 C ATOM 283 C ARG A 19 -3.884 3.957 13.266 1.00 63.12 C ATOM 284 O ARG A 19 -4.160 4.806 14.113 1.00 55.42 O ATOM 285 CB ARG A 19 -2.340 2.009 13.341 1.00 34.44 C ATOM 286 CG ARG A 19 -2.062 0.583 13.765 1.00 32.30 C ATOM 287 CD ARG A 19 -2.187 0.417 15.265 1.00 11.22 C ATOM 288 NE ARG A 19 -2.035 -0.975 15.661 1.00 11.14 N ATOM 289 CZ ARG A 19 -1.524 -1.374 16.816 1.00 35.32 C ATOM 290 NH1 ARG A 19 -1.021 -0.494 17.674 1.00 61.42 N ATOM 291 NH2 ARG A 19 -1.495 -2.665 17.101 1.00 1.11 N ATOM 0 H ARG A 19 -4.383 1.257 12.052 1.00 71.22 H new ATOM 0 HA ARG A 19 -3.980 2.369 14.702 1.00 30.01 H new ATOM 0 HB2 ARG A 19 -2.154 2.102 12.271 1.00 34.44 H new ATOM 0 HB3 ARG A 19 -1.636 2.671 13.846 1.00 34.44 H new ATOM 0 HG2 ARG A 19 -2.758 -0.089 13.264 1.00 32.30 H new ATOM 0 HG3 ARG A 19 -1.059 0.297 13.448 1.00 32.30 H new ATOM 0 HD2 ARG A 19 -1.431 1.023 15.764 1.00 11.22 H new ATOM 0 HD3 ARG A 19 -3.159 0.786 15.593 1.00 11.22 H new ATOM 0 HE ARG A 19 -2.343 -1.692 15.004 1.00 11.14 H new ATOM 0 HH11 ARG A 19 -1.026 0.500 17.446 1.00 61.42 H new ATOM 0 HH12 ARG A 19 -0.630 -0.812 18.561 1.00 61.42 H new ATOM 0 HH21 ARG A 19 -1.864 -3.343 16.434 1.00 1.11 H new ATOM 0 HH22 ARG A 19 -1.104 -2.983 17.988 1.00 1.11 H new ATOM 305 N MET A 20 -3.675 4.256 11.990 1.00 71.30 N ATOM 306 CA MET A 20 -3.541 5.645 11.543 1.00 12.11 C ATOM 307 C MET A 20 -4.889 6.290 11.234 1.00 23.32 C ATOM 308 O MET A 20 -4.987 7.511 11.122 1.00 65.31 O ATOM 309 CB MET A 20 -2.636 5.720 10.311 1.00 62.01 C ATOM 310 CG MET A 20 -1.267 5.096 10.525 1.00 11.30 C ATOM 311 SD MET A 20 -0.383 5.791 11.935 1.00 30.03 S ATOM 312 CE MET A 20 1.132 4.835 11.886 1.00 71.55 C ATOM 0 H MET A 20 -3.594 3.562 11.246 1.00 71.30 H new ATOM 0 HA MET A 20 -3.092 6.202 12.365 1.00 12.11 H new ATOM 0 HB2 MET A 20 -3.128 5.219 9.477 1.00 62.01 H new ATOM 0 HB3 MET A 20 -2.510 6.764 10.026 1.00 62.01 H new ATOM 0 HG2 MET A 20 -1.383 4.022 10.670 1.00 11.30 H new ATOM 0 HG3 MET A 20 -0.668 5.233 9.625 1.00 11.30 H new ATOM 0 HE1 MET A 20 1.787 5.149 12.699 1.00 71.55 H new ATOM 0 HE2 MET A 20 0.898 3.776 11.996 1.00 71.55 H new ATOM 0 HE3 MET A 20 1.634 4.998 10.933 1.00 71.55 H new ATOM 322 N ILE A 21 -5.921 5.472 11.097 1.00 22.02 N ATOM 323 CA ILE A 21 -7.254 5.968 10.769 1.00 60.12 C ATOM 324 C ILE A 21 -8.163 5.846 11.994 1.00 11.23 C ATOM 325 O ILE A 21 -9.386 5.866 11.900 1.00 73.32 O ATOM 326 CB ILE A 21 -7.833 5.202 9.552 1.00 1.20 C ATOM 327 CG1 ILE A 21 -6.777 5.122 8.443 1.00 24.14 C ATOM 328 CG2 ILE A 21 -9.089 5.877 9.020 1.00 44.22 C ATOM 329 CD1 ILE A 21 -7.257 4.436 7.184 1.00 1.00 C ATOM 0 H ILE A 21 -5.864 4.460 11.208 1.00 22.02 H new ATOM 0 HA ILE A 21 -7.192 7.020 10.492 1.00 60.12 H new ATOM 0 HB ILE A 21 -8.102 4.197 9.878 1.00 1.20 H new ATOM 0 HG12 ILE A 21 -6.451 6.132 8.193 1.00 24.14 H new ATOM 0 HG13 ILE A 21 -5.905 4.591 8.824 1.00 24.14 H new ATOM 0 HG21 ILE A 21 -9.470 5.316 8.167 1.00 44.22 H new ATOM 0 HG22 ILE A 21 -9.846 5.906 9.803 1.00 44.22 H new ATOM 0 HG23 ILE A 21 -8.851 6.894 8.708 1.00 44.22 H new ATOM 0 HD11 ILE A 21 -6.452 4.420 6.449 1.00 1.00 H new ATOM 0 HD12 ILE A 21 -7.555 3.414 7.418 1.00 1.00 H new ATOM 0 HD13 ILE A 21 -8.110 4.979 6.777 1.00 1.00 H new ATOM 341 N ALA A 22 -7.541 5.743 13.161 1.00 43.24 N ATOM 342 CA ALA A 22 -8.279 5.700 14.414 1.00 63.33 C ATOM 343 C ALA A 22 -8.150 7.020 15.165 1.00 51.21 C ATOM 344 O ALA A 22 -7.131 7.290 15.807 1.00 30.32 O ATOM 345 CB ALA A 22 -7.799 4.550 15.282 1.00 61.02 C ATOM 0 H ALA A 22 -6.528 5.688 13.265 1.00 43.24 H new ATOM 0 HA ALA A 22 -9.331 5.540 14.179 1.00 63.33 H new ATOM 0 HB1 ALA A 22 -8.364 4.537 16.214 1.00 61.02 H new ATOM 0 HB2 ALA A 22 -7.948 3.608 14.754 1.00 61.02 H new ATOM 0 HB3 ALA A 22 -6.739 4.678 15.502 1.00 61.02 H new ATOM 351 N GLY A 23 -9.184 7.840 15.071 1.00 72.12 N ATOM 352 CA GLY A 23 -9.186 9.126 15.739 1.00 2.54 C ATOM 353 C GLY A 23 -10.256 10.045 15.189 1.00 62.22 C ATOM 354 O GLY A 23 -11.339 10.163 15.759 1.00 62.42 O ATOM 0 H GLY A 23 -10.030 7.636 14.539 1.00 72.12 H new ATOM 0 HA2 GLY A 23 -9.346 8.980 16.807 1.00 2.54 H new ATOM 0 HA3 GLY A 23 -8.209 9.596 15.625 1.00 2.54 H new ATOM 358 N ARG A 24 -9.960 10.679 14.065 1.00 2.45 N ATOM 359 CA ARG A 24 -10.912 11.549 13.394 1.00 71.03 C ATOM 360 C ARG A 24 -10.760 11.388 11.889 1.00 73.44 C ATOM 361 O ARG A 24 -9.840 11.946 11.287 1.00 31.22 O ATOM 362 CB ARG A 24 -10.693 13.011 13.806 1.00 12.30 C ATOM 363 CG ARG A 24 -11.616 13.991 13.100 1.00 14.12 C ATOM 364 CD ARG A 24 -13.077 13.669 13.359 1.00 33.10 C ATOM 365 NE ARG A 24 -13.963 14.439 12.493 1.00 43.32 N ATOM 366 CZ ARG A 24 -15.291 14.425 12.582 1.00 21.41 C ATOM 367 NH1 ARG A 24 -15.895 13.745 13.552 1.00 74.40 N ATOM 368 NH2 ARG A 24 -16.017 15.099 11.701 1.00 43.44 N ATOM 0 H ARG A 24 -9.058 10.605 13.595 1.00 2.45 H new ATOM 0 HA ARG A 24 -11.924 11.269 13.686 1.00 71.03 H new ATOM 0 HB2 ARG A 24 -10.837 13.101 14.883 1.00 12.30 H new ATOM 0 HB3 ARG A 24 -9.659 13.286 13.599 1.00 12.30 H new ATOM 0 HG2 ARG A 24 -11.400 15.004 13.440 1.00 14.12 H new ATOM 0 HG3 ARG A 24 -11.422 13.966 12.028 1.00 14.12 H new ATOM 0 HD2 ARG A 24 -13.248 12.604 13.200 1.00 33.10 H new ATOM 0 HD3 ARG A 24 -13.316 13.878 14.402 1.00 33.10 H new ATOM 0 HE ARG A 24 -13.538 15.025 11.774 1.00 43.32 H new ATOM 0 HH11 ARG A 24 -15.340 13.229 14.235 1.00 74.40 H new ATOM 0 HH12 ARG A 24 -16.913 13.739 13.613 1.00 74.40 H new ATOM 0 HH21 ARG A 24 -15.558 15.626 10.958 1.00 43.44 H new ATOM 0 HH22 ARG A 24 -17.035 15.091 11.766 1.00 43.44 H new ATOM 382 N TRP A 25 -11.643 10.602 11.293 1.00 44.14 N ATOM 383 CA TRP A 25 -11.513 10.254 9.886 1.00 13.53 C ATOM 384 C TRP A 25 -12.862 10.309 9.158 1.00 35.35 C ATOM 385 O TRP A 25 -12.959 10.896 8.081 1.00 22.33 O ATOM 386 CB TRP A 25 -10.885 8.855 9.755 1.00 73.13 C ATOM 387 CG TRP A 25 -11.752 7.737 10.251 1.00 11.01 C ATOM 388 CD1 TRP A 25 -12.419 6.844 9.477 1.00 74.32 C ATOM 389 CD2 TRP A 25 -12.052 7.391 11.613 1.00 32.44 C ATOM 390 NE1 TRP A 25 -13.128 5.976 10.264 1.00 4.44 N ATOM 391 CE2 TRP A 25 -12.914 6.283 11.575 1.00 40.33 C ATOM 392 CE3 TRP A 25 -11.678 7.904 12.857 1.00 12.42 C ATOM 393 CZ2 TRP A 25 -13.411 5.680 12.728 1.00 71.12 C ATOM 394 CZ3 TRP A 25 -12.171 7.303 14.001 1.00 1.24 C ATOM 395 CH2 TRP A 25 -13.028 6.202 13.928 1.00 31.43 C ATOM 0 H TRP A 25 -12.454 10.194 11.759 1.00 44.14 H new ATOM 0 HA TRP A 25 -10.862 10.990 9.414 1.00 13.53 H new ATOM 0 HB2 TRP A 25 -10.645 8.675 8.707 1.00 73.13 H new ATOM 0 HB3 TRP A 25 -9.944 8.840 10.305 1.00 73.13 H new ATOM 0 HD1 TRP A 25 -12.394 6.821 8.398 1.00 74.32 H new ATOM 0 HE1 TRP A 25 -13.722 5.220 9.923 1.00 4.44 H new ATOM 0 HE3 TRP A 25 -11.016 8.755 12.924 1.00 12.42 H new ATOM 0 HZ2 TRP A 25 -14.075 4.830 12.674 1.00 71.12 H new ATOM 0 HZ3 TRP A 25 -11.888 7.692 14.968 1.00 1.24 H new ATOM 0 HH2 TRP A 25 -13.395 5.755 14.840 1.00 31.43 H new ATOM 406 N LYS A 26 -13.898 9.731 9.784 1.00 71.52 N ATOM 407 CA LYS A 26 -15.223 9.570 9.170 1.00 12.24 C ATOM 408 C LYS A 26 -15.186 8.541 8.034 1.00 12.12 C ATOM 409 O LYS A 26 -14.427 8.679 7.076 1.00 32.13 O ATOM 410 CB LYS A 26 -15.785 10.908 8.658 1.00 4.54 C ATOM 411 CG LYS A 26 -16.014 11.964 9.739 1.00 3.11 C ATOM 412 CD LYS A 26 -17.232 11.665 10.616 1.00 63.32 C ATOM 413 CE LYS A 26 -16.958 10.564 11.630 1.00 53.14 C ATOM 414 NZ LYS A 26 -18.089 10.377 12.579 1.00 1.41 N ATOM 0 H LYS A 26 -13.840 9.361 10.733 1.00 71.52 H new ATOM 0 HA LYS A 26 -15.890 9.204 9.950 1.00 12.24 H new ATOM 0 HB2 LYS A 26 -15.099 11.313 7.914 1.00 4.54 H new ATOM 0 HB3 LYS A 26 -16.730 10.718 8.150 1.00 4.54 H new ATOM 0 HG2 LYS A 26 -15.127 12.030 10.369 1.00 3.11 H new ATOM 0 HG3 LYS A 26 -16.143 12.938 9.267 1.00 3.11 H new ATOM 0 HD2 LYS A 26 -17.531 12.573 11.141 1.00 63.32 H new ATOM 0 HD3 LYS A 26 -18.070 11.372 9.983 1.00 63.32 H new ATOM 0 HE2 LYS A 26 -16.769 9.628 11.105 1.00 53.14 H new ATOM 0 HE3 LYS A 26 -16.054 10.804 12.189 1.00 53.14 H new ATOM 0 HZ1 LYS A 26 -17.857 9.617 13.250 1.00 1.41 H new ATOM 0 HZ2 LYS A 26 -18.254 11.261 13.101 1.00 1.41 H new ATOM 0 HZ3 LYS A 26 -18.947 10.121 12.050 1.00 1.41 H new ATOM 428 N HIS A 27 -16.016 7.506 8.167 1.00 72.32 N ATOM 429 CA HIS A 27 -16.138 6.434 7.164 1.00 62.22 C ATOM 430 C HIS A 27 -14.877 5.568 7.097 1.00 14.42 C ATOM 431 O HIS A 27 -14.041 5.735 6.209 1.00 12.23 O ATOM 432 CB HIS A 27 -16.459 6.994 5.770 1.00 74.43 C ATOM 433 CG HIS A 27 -17.783 7.686 5.673 1.00 52.30 C ATOM 434 ND1 HIS A 27 -17.996 8.796 4.887 1.00 2.20 N ATOM 435 CD2 HIS A 27 -18.971 7.411 6.258 1.00 74.03 C ATOM 436 CE1 HIS A 27 -19.255 9.172 4.992 1.00 73.24 C ATOM 437 NE2 HIS A 27 -19.871 8.348 5.818 1.00 51.14 N ATOM 0 H HIS A 27 -16.627 7.382 8.974 1.00 72.32 H new ATOM 0 HA HIS A 27 -16.969 5.806 7.486 1.00 62.22 H new ATOM 0 HB2 HIS A 27 -15.675 7.694 5.483 1.00 74.43 H new ATOM 0 HB3 HIS A 27 -16.436 6.177 5.049 1.00 74.43 H new ATOM 0 HD2 HIS A 27 -19.174 6.603 6.945 1.00 74.03 H new ATOM 0 HE1 HIS A 27 -19.706 10.013 4.487 1.00 73.24 H new ATOM 0 HE2 HIS A 27 -20.854 8.399 6.085 1.00 51.14 H new ATOM 446 N PRO A 28 -14.734 4.611 8.031 1.00 22.32 N ATOM 447 CA PRO A 28 -13.547 3.750 8.100 1.00 4.14 C ATOM 448 C PRO A 28 -13.498 2.728 6.965 1.00 32.23 C ATOM 449 O PRO A 28 -12.432 2.406 6.442 1.00 40.01 O ATOM 450 CB PRO A 28 -13.700 3.035 9.444 1.00 30.41 C ATOM 451 CG PRO A 28 -15.162 3.052 9.731 1.00 22.25 C ATOM 452 CD PRO A 28 -15.714 4.296 9.087 1.00 62.55 C ATOM 0 HA PRO A 28 -12.627 4.327 8.007 1.00 4.14 H new ATOM 0 HB2 PRO A 28 -13.321 2.014 9.393 1.00 30.41 H new ATOM 0 HB3 PRO A 28 -13.139 3.545 10.227 1.00 30.41 H new ATOM 0 HG2 PRO A 28 -15.646 2.161 9.330 1.00 22.25 H new ATOM 0 HG3 PRO A 28 -15.346 3.058 10.805 1.00 22.25 H new ATOM 0 HD2 PRO A 28 -16.707 4.125 8.672 1.00 62.55 H new ATOM 0 HD3 PRO A 28 -15.805 5.111 9.805 1.00 62.55 H new ATOM 460 N ASN A 29 -14.666 2.232 6.574 1.00 25.23 N ATOM 461 CA ASN A 29 -14.755 1.195 5.552 1.00 53.02 C ATOM 462 C ASN A 29 -14.561 1.779 4.158 1.00 24.12 C ATOM 463 O ASN A 29 -14.180 1.070 3.228 1.00 75.30 O ATOM 464 CB ASN A 29 -16.097 0.458 5.637 1.00 21.34 C ATOM 465 CG ASN A 29 -17.298 1.339 5.323 1.00 24.25 C ATOM 466 OD1 ASN A 29 -17.281 2.551 5.541 1.00 20.02 O ATOM 467 ND2 ASN A 29 -18.359 0.725 4.824 1.00 2.30 N ATOM 0 H ASN A 29 -15.566 2.531 6.950 1.00 25.23 H new ATOM 0 HA ASN A 29 -13.954 0.479 5.737 1.00 53.02 H new ATOM 0 HB2 ASN A 29 -16.084 -0.384 4.945 1.00 21.34 H new ATOM 0 HB3 ASN A 29 -16.212 0.045 6.639 1.00 21.34 H new ATOM 0 HD21 ASN A 29 -19.201 1.258 4.606 1.00 2.30 H new ATOM 0 HD22 ASN A 29 -18.335 -0.281 4.657 1.00 2.30 H new ATOM 474 N ILE A 30 -14.810 3.074 4.017 1.00 62.14 N ATOM 475 CA ILE A 30 -14.637 3.743 2.735 1.00 64.04 C ATOM 476 C ILE A 30 -13.156 3.864 2.398 1.00 31.20 C ATOM 477 O ILE A 30 -12.732 3.527 1.293 1.00 62.23 O ATOM 478 CB ILE A 30 -15.298 5.141 2.725 1.00 31.01 C ATOM 479 CG1 ILE A 30 -16.811 5.014 2.946 1.00 52.44 C ATOM 480 CG2 ILE A 30 -15.009 5.870 1.419 1.00 13.25 C ATOM 481 CD1 ILE A 30 -17.516 4.182 1.895 1.00 10.44 C ATOM 0 H ILE A 30 -15.131 3.680 4.772 1.00 62.14 H new ATOM 0 HA ILE A 30 -15.131 3.135 1.977 1.00 64.04 H new ATOM 0 HB ILE A 30 -14.873 5.727 3.540 1.00 31.01 H new ATOM 0 HG12 ILE A 30 -16.989 4.571 3.926 1.00 52.44 H new ATOM 0 HG13 ILE A 30 -17.251 6.011 2.962 1.00 52.44 H new ATOM 0 HG21 ILE A 30 -15.485 6.851 1.437 1.00 13.25 H new ATOM 0 HG22 ILE A 30 -13.932 5.991 1.300 1.00 13.25 H new ATOM 0 HG23 ILE A 30 -15.403 5.291 0.584 1.00 13.25 H new ATOM 0 HD11 ILE A 30 -18.582 4.139 2.120 1.00 10.44 H new ATOM 0 HD12 ILE A 30 -17.370 4.635 0.914 1.00 10.44 H new ATOM 0 HD13 ILE A 30 -17.104 3.173 1.893 1.00 10.44 H new ATOM 493 N VAL A 31 -12.369 4.319 3.366 1.00 51.42 N ATOM 494 CA VAL A 31 -10.928 4.422 3.178 1.00 71.54 C ATOM 495 C VAL A 31 -10.298 3.026 3.148 1.00 20.45 C ATOM 496 O VAL A 31 -9.299 2.799 2.469 1.00 75.30 O ATOM 497 CB VAL A 31 -10.269 5.302 4.270 1.00 42.15 C ATOM 498 CG1 VAL A 31 -10.487 4.718 5.656 1.00 55.02 C ATOM 499 CG2 VAL A 31 -8.783 5.494 3.992 1.00 33.13 C ATOM 0 H VAL A 31 -12.702 4.620 4.282 1.00 51.42 H new ATOM 0 HA VAL A 31 -10.748 4.909 2.220 1.00 71.54 H new ATOM 0 HB VAL A 31 -10.750 6.280 4.241 1.00 42.15 H new ATOM 0 HG11 VAL A 31 -10.013 5.359 6.399 1.00 55.02 H new ATOM 0 HG12 VAL A 31 -11.556 4.655 5.860 1.00 55.02 H new ATOM 0 HG13 VAL A 31 -10.049 3.721 5.704 1.00 55.02 H new ATOM 0 HG21 VAL A 31 -8.344 6.115 4.773 1.00 33.13 H new ATOM 0 HG22 VAL A 31 -8.287 4.523 3.979 1.00 33.13 H new ATOM 0 HG23 VAL A 31 -8.654 5.981 3.025 1.00 33.13 H new ATOM 509 N ARG A 32 -10.908 2.083 3.862 1.00 4.23 N ATOM 510 CA ARG A 32 -10.480 0.686 3.819 1.00 51.34 C ATOM 511 C ARG A 32 -10.662 0.123 2.412 1.00 1.12 C ATOM 512 O ARG A 32 -9.782 -0.565 1.891 1.00 1.10 O ATOM 513 CB ARG A 32 -11.264 -0.134 4.856 1.00 2.43 C ATOM 514 CG ARG A 32 -11.103 -1.648 4.750 1.00 33.30 C ATOM 515 CD ARG A 32 -9.644 -2.076 4.643 1.00 20.51 C ATOM 516 NE ARG A 32 -9.457 -3.492 4.967 1.00 70.10 N ATOM 517 CZ ARG A 32 -9.799 -4.503 4.168 1.00 34.23 C ATOM 518 NH1 ARG A 32 -10.398 -4.266 3.004 1.00 53.04 N ATOM 519 NH2 ARG A 32 -9.544 -5.751 4.541 1.00 40.23 N ATOM 0 H ARG A 32 -11.701 2.261 4.478 1.00 4.23 H new ATOM 0 HA ARG A 32 -9.421 0.625 4.069 1.00 51.34 H new ATOM 0 HB2 ARG A 32 -10.952 0.179 5.853 1.00 2.43 H new ATOM 0 HB3 ARG A 32 -12.322 0.109 4.762 1.00 2.43 H new ATOM 0 HG2 ARG A 32 -11.553 -2.120 5.624 1.00 33.30 H new ATOM 0 HG3 ARG A 32 -11.648 -2.007 3.877 1.00 33.30 H new ATOM 0 HD2 ARG A 32 -9.285 -1.886 3.632 1.00 20.51 H new ATOM 0 HD3 ARG A 32 -9.039 -1.468 5.316 1.00 20.51 H new ATOM 0 HE ARG A 32 -9.035 -3.721 5.867 1.00 70.10 H new ATOM 0 HH11 ARG A 32 -10.598 -3.307 2.719 1.00 53.04 H new ATOM 0 HH12 ARG A 32 -10.658 -5.043 2.396 1.00 53.04 H new ATOM 0 HH21 ARG A 32 -9.088 -5.933 5.435 1.00 40.23 H new ATOM 0 HH22 ARG A 32 -9.804 -6.528 3.933 1.00 40.23 H new ATOM 533 N SER A 33 -11.796 0.437 1.799 1.00 4.22 N ATOM 534 CA SER A 33 -12.076 0.028 0.428 1.00 1.12 C ATOM 535 C SER A 33 -11.057 0.641 -0.533 1.00 24.15 C ATOM 536 O SER A 33 -10.734 0.063 -1.568 1.00 14.03 O ATOM 537 CB SER A 33 -13.498 0.455 0.042 1.00 72.24 C ATOM 538 OG SER A 33 -13.858 -0.010 -1.250 1.00 54.25 O ATOM 0 H SER A 33 -12.543 0.978 2.234 1.00 4.22 H new ATOM 0 HA SER A 33 -11.999 -1.057 0.360 1.00 1.12 H new ATOM 0 HB2 SER A 33 -14.205 0.069 0.777 1.00 72.24 H new ATOM 0 HB3 SER A 33 -13.571 1.542 0.070 1.00 72.24 H new ATOM 0 HG SER A 33 -14.770 0.280 -1.460 1.00 54.25 H new ATOM 544 N ARG A 34 -10.552 1.814 -0.172 1.00 3.31 N ATOM 545 CA ARG A 34 -9.550 2.499 -0.974 1.00 62.43 C ATOM 546 C ARG A 34 -8.206 1.782 -0.860 1.00 54.50 C ATOM 547 O ARG A 34 -7.607 1.397 -1.862 1.00 74.34 O ATOM 548 CB ARG A 34 -9.409 3.947 -0.496 1.00 71.25 C ATOM 549 CG ARG A 34 -9.260 4.954 -1.621 1.00 65.45 C ATOM 550 CD ARG A 34 -10.500 4.978 -2.494 1.00 24.42 C ATOM 551 NE ARG A 34 -10.467 6.061 -3.471 1.00 5.04 N ATOM 552 CZ ARG A 34 -11.192 6.077 -4.588 1.00 1.22 C ATOM 553 NH1 ARG A 34 -12.008 5.067 -4.871 1.00 44.24 N ATOM 554 NH2 ARG A 34 -11.106 7.108 -5.419 1.00 43.53 N ATOM 0 H ARG A 34 -10.823 2.312 0.676 1.00 3.31 H new ATOM 0 HA ARG A 34 -9.865 2.493 -2.017 1.00 62.43 H new ATOM 0 HB2 ARG A 34 -10.283 4.209 0.100 1.00 71.25 H new ATOM 0 HB3 ARG A 34 -8.542 4.020 0.161 1.00 71.25 H new ATOM 0 HG2 ARG A 34 -9.084 5.946 -1.205 1.00 65.45 H new ATOM 0 HG3 ARG A 34 -8.389 4.703 -2.226 1.00 65.45 H new ATOM 0 HD2 ARG A 34 -10.594 4.025 -3.014 1.00 24.42 H new ATOM 0 HD3 ARG A 34 -11.383 5.086 -1.864 1.00 24.42 H new ATOM 0 HE ARG A 34 -9.852 6.854 -3.288 1.00 5.04 H new ATOM 0 HH11 ARG A 34 -12.081 4.276 -4.232 1.00 44.24 H new ATOM 0 HH12 ARG A 34 -12.562 5.083 -5.728 1.00 44.24 H new ATOM 0 HH21 ARG A 34 -10.485 7.887 -5.202 1.00 43.53 H new ATOM 0 HH22 ARG A 34 -11.661 7.121 -6.275 1.00 43.53 H new ATOM 568 N ILE A 35 -7.765 1.588 0.377 1.00 32.11 N ATOM 569 CA ILE A 35 -6.487 0.939 0.672 1.00 32.21 C ATOM 570 C ILE A 35 -6.376 -0.437 0.017 1.00 32.44 C ATOM 571 O ILE A 35 -5.346 -0.771 -0.566 1.00 14.34 O ATOM 572 CB ILE A 35 -6.294 0.790 2.200 1.00 62.22 C ATOM 573 CG1 ILE A 35 -6.210 2.168 2.860 1.00 52.10 C ATOM 574 CG2 ILE A 35 -5.052 -0.032 2.521 1.00 54.25 C ATOM 575 CD1 ILE A 35 -6.144 2.113 4.371 1.00 2.02 C ATOM 0 H ILE A 35 -8.282 1.876 1.208 1.00 32.11 H new ATOM 0 HA ILE A 35 -5.706 1.578 0.259 1.00 32.21 H new ATOM 0 HB ILE A 35 -7.158 0.260 2.601 1.00 62.22 H new ATOM 0 HG12 ILE A 35 -5.329 2.688 2.485 1.00 52.10 H new ATOM 0 HG13 ILE A 35 -7.078 2.757 2.564 1.00 52.10 H new ATOM 0 HG21 ILE A 35 -4.943 -0.119 3.602 1.00 54.25 H new ATOM 0 HG22 ILE A 35 -5.151 -1.026 2.085 1.00 54.25 H new ATOM 0 HG23 ILE A 35 -4.173 0.460 2.106 1.00 54.25 H new ATOM 0 HD11 ILE A 35 -6.086 3.126 4.770 1.00 2.02 H new ATOM 0 HD12 ILE A 35 -7.037 1.622 4.757 1.00 2.02 H new ATOM 0 HD13 ILE A 35 -5.261 1.552 4.676 1.00 2.02 H new ATOM 587 N GLU A 36 -7.441 -1.223 0.086 1.00 61.33 N ATOM 588 CA GLU A 36 -7.376 -2.607 -0.358 1.00 61.01 C ATOM 589 C GLU A 36 -7.389 -2.729 -1.881 1.00 54.14 C ATOM 590 O GLU A 36 -7.138 -3.806 -2.412 1.00 12.24 O ATOM 591 CB GLU A 36 -8.495 -3.437 0.285 1.00 51.44 C ATOM 592 CG GLU A 36 -9.910 -3.002 -0.067 1.00 61.53 C ATOM 593 CD GLU A 36 -10.430 -3.654 -1.337 1.00 65.21 C ATOM 594 OE1 GLU A 36 -10.700 -4.872 -1.309 1.00 34.55 O ATOM 595 OE2 GLU A 36 -10.593 -2.959 -2.357 1.00 40.13 O ATOM 0 H GLU A 36 -8.351 -0.930 0.441 1.00 61.33 H new ATOM 0 HA GLU A 36 -6.420 -3.011 -0.025 1.00 61.01 H new ATOM 0 HB2 GLU A 36 -8.368 -4.478 -0.011 1.00 51.44 H new ATOM 0 HB3 GLU A 36 -8.379 -3.397 1.368 1.00 51.44 H new ATOM 0 HG2 GLU A 36 -10.576 -3.247 0.760 1.00 61.53 H new ATOM 0 HG3 GLU A 36 -9.933 -1.919 -0.185 1.00 61.53 H new ATOM 602 N LYS A 37 -7.669 -1.643 -2.589 1.00 35.14 N ATOM 603 CA LYS A 37 -7.621 -1.682 -4.047 1.00 34.20 C ATOM 604 C LYS A 37 -6.436 -0.881 -4.580 1.00 43.54 C ATOM 605 O LYS A 37 -6.067 -1.001 -5.748 1.00 62.04 O ATOM 606 CB LYS A 37 -8.932 -1.191 -4.666 1.00 53.35 C ATOM 607 CG LYS A 37 -9.231 0.280 -4.442 1.00 21.22 C ATOM 608 CD LYS A 37 -10.487 0.694 -5.192 1.00 1.32 C ATOM 609 CE LYS A 37 -10.349 0.431 -6.684 1.00 40.50 C ATOM 610 NZ LYS A 37 -11.629 0.625 -7.413 1.00 35.01 N ATOM 0 H LYS A 37 -7.927 -0.741 -2.189 1.00 35.14 H new ATOM 0 HA LYS A 37 -7.486 -2.723 -4.340 1.00 34.20 H new ATOM 0 HB2 LYS A 37 -8.905 -1.382 -5.739 1.00 53.35 H new ATOM 0 HB3 LYS A 37 -9.753 -1.780 -4.258 1.00 53.35 H new ATOM 0 HG2 LYS A 37 -9.358 0.472 -3.377 1.00 21.22 H new ATOM 0 HG3 LYS A 37 -8.387 0.883 -4.776 1.00 21.22 H new ATOM 0 HD2 LYS A 37 -11.344 0.146 -4.801 1.00 1.32 H new ATOM 0 HD3 LYS A 37 -10.682 1.753 -5.023 1.00 1.32 H new ATOM 0 HE2 LYS A 37 -9.593 1.097 -7.099 1.00 40.50 H new ATOM 0 HE3 LYS A 37 -9.996 -0.588 -6.840 1.00 40.50 H new ATOM 0 HZ1 LYS A 37 -11.484 0.434 -8.425 1.00 35.01 H new ATOM 0 HZ2 LYS A 37 -12.345 -0.028 -7.037 1.00 35.01 H new ATOM 0 HZ3 LYS A 37 -11.954 1.605 -7.288 1.00 35.01 H new ATOM 624 N ASP A 38 -5.859 -0.056 -3.723 1.00 51.11 N ATOM 625 CA ASP A 38 -4.662 0.706 -4.071 1.00 44.20 C ATOM 626 C ASP A 38 -3.407 -0.091 -3.735 1.00 1.03 C ATOM 627 O ASP A 38 -2.579 -0.367 -4.602 1.00 41.24 O ATOM 628 CB ASP A 38 -4.654 2.045 -3.323 1.00 4.25 C ATOM 629 CG ASP A 38 -3.322 2.772 -3.411 1.00 2.42 C ATOM 630 OD1 ASP A 38 -3.094 3.493 -4.405 1.00 23.03 O ATOM 631 OD2 ASP A 38 -2.516 2.642 -2.467 1.00 32.54 O ATOM 0 H ASP A 38 -6.199 0.107 -2.775 1.00 51.11 H new ATOM 0 HA ASP A 38 -4.673 0.900 -5.143 1.00 44.20 H new ATOM 0 HB2 ASP A 38 -5.437 2.685 -3.729 1.00 4.25 H new ATOM 0 HB3 ASP A 38 -4.896 1.870 -2.275 1.00 4.25 H new ATOM 636 N ILE A 39 -3.307 -0.494 -2.476 1.00 44.41 N ATOM 637 CA ILE A 39 -2.126 -1.178 -1.972 1.00 23.34 C ATOM 638 C ILE A 39 -2.105 -2.650 -2.386 1.00 1.12 C ATOM 639 O ILE A 39 -1.051 -3.202 -2.703 1.00 72.21 O ATOM 640 CB ILE A 39 -2.049 -1.046 -0.434 1.00 24.31 C ATOM 641 CG1 ILE A 39 -1.868 0.426 -0.055 1.00 62.33 C ATOM 642 CG2 ILE A 39 -0.919 -1.895 0.138 1.00 2.24 C ATOM 643 CD1 ILE A 39 -1.791 0.674 1.434 1.00 43.15 C ATOM 0 H ILE A 39 -4.039 -0.357 -1.779 1.00 44.41 H new ATOM 0 HA ILE A 39 -1.251 -0.702 -2.414 1.00 23.34 H new ATOM 0 HB ILE A 39 -2.981 -1.414 -0.005 1.00 24.31 H new ATOM 0 HG12 ILE A 39 -0.958 0.801 -0.523 1.00 62.33 H new ATOM 0 HG13 ILE A 39 -2.698 1.001 -0.466 1.00 62.33 H new ATOM 0 HG21 ILE A 39 -0.891 -1.781 1.222 1.00 2.24 H new ATOM 0 HG22 ILE A 39 -1.088 -2.942 -0.112 1.00 2.24 H new ATOM 0 HG23 ILE A 39 0.031 -1.570 -0.286 1.00 2.24 H new ATOM 0 HD11 ILE A 39 -1.663 1.740 1.619 1.00 43.15 H new ATOM 0 HD12 ILE A 39 -2.711 0.331 1.908 1.00 43.15 H new ATOM 0 HD13 ILE A 39 -0.944 0.129 1.850 1.00 43.15 H new ATOM 655 N LYS A 40 -3.269 -3.289 -2.406 1.00 24.03 N ATOM 656 CA LYS A 40 -3.341 -4.696 -2.789 1.00 2.35 C ATOM 657 C LYS A 40 -4.368 -4.943 -3.898 1.00 32.31 C ATOM 658 O LYS A 40 -5.388 -5.587 -3.672 1.00 21.43 O ATOM 659 CB LYS A 40 -3.658 -5.584 -1.575 1.00 0.10 C ATOM 660 CG LYS A 40 -4.730 -5.017 -0.651 1.00 30.31 C ATOM 661 CD LYS A 40 -5.613 -6.111 -0.064 1.00 34.41 C ATOM 662 CE LYS A 40 -6.593 -6.641 -1.102 1.00 15.52 C ATOM 663 NZ LYS A 40 -7.487 -7.697 -0.560 1.00 11.14 N ATOM 0 H LYS A 40 -4.164 -2.864 -2.165 1.00 24.03 H new ATOM 0 HA LYS A 40 -2.359 -4.963 -3.178 1.00 2.35 H new ATOM 0 HB2 LYS A 40 -3.980 -6.563 -1.929 1.00 0.10 H new ATOM 0 HB3 LYS A 40 -2.744 -5.737 -1.002 1.00 0.10 H new ATOM 0 HG2 LYS A 40 -4.255 -4.461 0.158 1.00 30.31 H new ATOM 0 HG3 LYS A 40 -5.348 -4.310 -1.204 1.00 30.31 H new ATOM 0 HD2 LYS A 40 -4.991 -6.927 0.303 1.00 34.41 H new ATOM 0 HD3 LYS A 40 -6.162 -5.719 0.792 1.00 34.41 H new ATOM 0 HE2 LYS A 40 -7.198 -5.816 -1.479 1.00 15.52 H new ATOM 0 HE3 LYS A 40 -6.037 -7.041 -1.950 1.00 15.52 H new ATOM 0 HZ1 LYS A 40 -8.133 -8.022 -1.307 1.00 11.14 H new ATOM 0 HZ2 LYS A 40 -6.915 -8.498 -0.225 1.00 11.14 H new ATOM 0 HZ3 LYS A 40 -8.040 -7.311 0.232 1.00 11.14 H new ATOM 677 N PRO A 41 -4.108 -4.450 -5.123 1.00 23.43 N ATOM 678 CA PRO A 41 -5.008 -4.657 -6.264 1.00 30.25 C ATOM 679 C PRO A 41 -5.069 -6.122 -6.690 1.00 14.02 C ATOM 680 O PRO A 41 -6.056 -6.573 -7.272 1.00 40.15 O ATOM 681 CB PRO A 41 -4.392 -3.805 -7.383 1.00 54.12 C ATOM 682 CG PRO A 41 -3.433 -2.891 -6.700 1.00 53.40 C ATOM 683 CD PRO A 41 -2.942 -3.639 -5.496 1.00 73.40 C ATOM 0 HA PRO A 41 -6.034 -4.380 -6.021 1.00 30.25 H new ATOM 0 HB2 PRO A 41 -3.884 -4.429 -8.118 1.00 54.12 H new ATOM 0 HB3 PRO A 41 -5.159 -3.243 -7.917 1.00 54.12 H new ATOM 0 HG2 PRO A 41 -2.607 -2.627 -7.360 1.00 53.40 H new ATOM 0 HG3 PRO A 41 -3.919 -1.960 -6.410 1.00 53.40 H new ATOM 0 HD2 PRO A 41 -2.076 -4.258 -5.729 1.00 73.40 H new ATOM 0 HD3 PRO A 41 -2.645 -2.964 -4.693 1.00 73.40 H new ATOM 691 N ALA A 42 -4.002 -6.861 -6.401 1.00 42.25 N ATOM 692 CA ALA A 42 -3.936 -8.275 -6.753 1.00 72.45 C ATOM 693 C ALA A 42 -2.994 -9.030 -5.827 1.00 22.32 C ATOM 694 O ALA A 42 -3.190 -10.212 -5.549 1.00 22.11 O ATOM 695 CB ALA A 42 -3.497 -8.444 -8.200 1.00 14.12 C ATOM 0 H ALA A 42 -3.173 -6.505 -5.925 1.00 42.25 H new ATOM 0 HA ALA A 42 -4.935 -8.695 -6.636 1.00 72.45 H new ATOM 0 HB1 ALA A 42 -3.453 -9.505 -8.445 1.00 14.12 H new ATOM 0 HB2 ALA A 42 -4.212 -7.949 -8.857 1.00 14.12 H new ATOM 0 HB3 ALA A 42 -2.511 -7.999 -8.335 1.00 14.12 H new ATOM 701 N ILE A 43 -1.985 -8.330 -5.337 1.00 43.31 N ATOM 702 CA ILE A 43 -0.968 -8.922 -4.476 1.00 44.51 C ATOM 703 C ILE A 43 -1.455 -9.092 -3.035 1.00 30.23 C ATOM 704 O ILE A 43 -0.650 -9.246 -2.121 1.00 70.53 O ATOM 705 CB ILE A 43 0.303 -8.054 -4.472 1.00 53.41 C ATOM 706 CG1 ILE A 43 -0.075 -6.583 -4.273 1.00 52.31 C ATOM 707 CG2 ILE A 43 1.078 -8.244 -5.768 1.00 32.22 C ATOM 708 CD1 ILE A 43 1.089 -5.694 -3.897 1.00 25.13 C ATOM 0 H ILE A 43 -1.845 -7.337 -5.523 1.00 43.31 H new ATOM 0 HA ILE A 43 -0.750 -9.910 -4.883 1.00 44.51 H new ATOM 0 HB ILE A 43 0.945 -8.363 -3.647 1.00 53.41 H new ATOM 0 HG12 ILE A 43 -0.524 -6.207 -5.192 1.00 52.31 H new ATOM 0 HG13 ILE A 43 -0.836 -6.516 -3.495 1.00 52.31 H new ATOM 0 HG21 ILE A 43 1.974 -7.624 -5.750 1.00 32.22 H new ATOM 0 HG22 ILE A 43 1.363 -9.291 -5.871 1.00 32.22 H new ATOM 0 HG23 ILE A 43 0.452 -7.954 -6.612 1.00 32.22 H new ATOM 0 HD11 ILE A 43 0.739 -4.669 -3.774 1.00 25.13 H new ATOM 0 HD12 ILE A 43 1.526 -6.043 -2.961 1.00 25.13 H new ATOM 0 HD13 ILE A 43 1.842 -5.728 -4.684 1.00 25.13 H new ATOM 720 N GLY A 44 -2.770 -9.096 -2.844 1.00 64.13 N ATOM 721 CA GLY A 44 -3.330 -9.163 -1.505 1.00 11.45 C ATOM 722 C GLY A 44 -3.059 -10.483 -0.811 1.00 43.45 C ATOM 723 O GLY A 44 -2.923 -10.530 0.411 1.00 71.02 O ATOM 0 H GLY A 44 -3.460 -9.054 -3.594 1.00 64.13 H new ATOM 0 HA2 GLY A 44 -2.917 -8.352 -0.904 1.00 11.45 H new ATOM 0 HA3 GLY A 44 -4.407 -9.003 -1.560 1.00 11.45 H new ATOM 727 N SER A 45 -2.969 -11.553 -1.585 1.00 63.43 N ATOM 728 CA SER A 45 -2.763 -12.884 -1.027 1.00 14.11 C ATOM 729 C SER A 45 -1.278 -13.231 -0.945 1.00 34.14 C ATOM 730 O SER A 45 -0.911 -14.379 -0.692 1.00 31.11 O ATOM 731 CB SER A 45 -3.509 -13.918 -1.870 1.00 62.31 C ATOM 732 OG SER A 45 -4.892 -13.605 -1.926 1.00 72.02 O ATOM 0 H SER A 45 -3.035 -11.528 -2.603 1.00 63.43 H new ATOM 0 HA SER A 45 -3.159 -12.895 -0.011 1.00 14.11 H new ATOM 0 HB2 SER A 45 -3.094 -13.943 -2.878 1.00 62.31 H new ATOM 0 HB3 SER A 45 -3.371 -14.912 -1.444 1.00 62.31 H new ATOM 0 HG SER A 45 -5.357 -14.274 -2.470 1.00 72.02 H new ATOM 738 N LEU A 46 -0.428 -12.234 -1.147 1.00 60.11 N ATOM 739 CA LEU A 46 1.009 -12.433 -1.051 1.00 0.50 C ATOM 740 C LEU A 46 1.499 -12.143 0.361 1.00 53.42 C ATOM 741 O LEU A 46 0.889 -11.364 1.104 1.00 24.42 O ATOM 742 CB LEU A 46 1.760 -11.551 -2.057 1.00 44.31 C ATOM 743 CG LEU A 46 1.903 -12.126 -3.472 1.00 2.12 C ATOM 744 CD1 LEU A 46 0.553 -12.246 -4.159 1.00 51.25 C ATOM 745 CD2 LEU A 46 2.845 -11.264 -4.298 1.00 2.31 C ATOM 0 H LEU A 46 -0.709 -11.281 -1.378 1.00 60.11 H new ATOM 0 HA LEU A 46 1.214 -13.477 -1.289 1.00 0.50 H new ATOM 0 HB2 LEU A 46 1.246 -10.592 -2.125 1.00 44.31 H new ATOM 0 HB3 LEU A 46 2.757 -11.352 -1.664 1.00 44.31 H new ATOM 0 HG LEU A 46 2.324 -13.128 -3.387 1.00 2.12 H new ATOM 0 HD11 LEU A 46 0.689 -12.656 -5.160 1.00 51.25 H new ATOM 0 HD12 LEU A 46 -0.092 -12.907 -3.580 1.00 51.25 H new ATOM 0 HD13 LEU A 46 0.092 -11.261 -4.231 1.00 51.25 H new ATOM 0 HD21 LEU A 46 2.938 -11.683 -5.300 1.00 2.31 H new ATOM 0 HD22 LEU A 46 2.448 -10.251 -4.364 1.00 2.31 H new ATOM 0 HD23 LEU A 46 3.826 -11.239 -3.823 1.00 2.31 H new ATOM 757 N LYS A 47 2.593 -12.793 0.728 1.00 21.10 N ATOM 758 CA LYS A 47 3.229 -12.576 2.017 1.00 4.54 C ATOM 759 C LYS A 47 3.743 -11.142 2.102 1.00 33.34 C ATOM 760 O LYS A 47 3.980 -10.507 1.077 1.00 51.43 O ATOM 761 CB LYS A 47 4.393 -13.555 2.172 1.00 73.11 C ATOM 762 CG LYS A 47 4.813 -13.812 3.610 1.00 43.34 C ATOM 763 CD LYS A 47 3.763 -14.614 4.364 1.00 24.35 C ATOM 764 CE LYS A 47 3.459 -15.940 3.677 1.00 55.41 C ATOM 765 NZ LYS A 47 4.680 -16.768 3.475 1.00 13.31 N ATOM 0 H LYS A 47 3.063 -13.483 0.142 1.00 21.10 H new ATOM 0 HA LYS A 47 2.506 -12.740 2.816 1.00 4.54 H new ATOM 0 HB2 LYS A 47 4.117 -14.504 1.712 1.00 73.11 H new ATOM 0 HB3 LYS A 47 5.250 -13.171 1.619 1.00 73.11 H new ATOM 0 HG2 LYS A 47 5.761 -14.350 3.622 1.00 43.34 H new ATOM 0 HG3 LYS A 47 4.979 -12.861 4.117 1.00 43.34 H new ATOM 0 HD2 LYS A 47 4.111 -14.803 5.380 1.00 24.35 H new ATOM 0 HD3 LYS A 47 2.847 -14.028 4.444 1.00 24.35 H new ATOM 0 HE2 LYS A 47 2.739 -16.499 4.275 1.00 55.41 H new ATOM 0 HE3 LYS A 47 2.990 -15.747 2.712 1.00 55.41 H new ATOM 0 HZ1 LYS A 47 4.407 -17.711 3.131 1.00 13.31 H new ATOM 0 HZ2 LYS A 47 5.299 -16.310 2.776 1.00 13.31 H new ATOM 0 HZ3 LYS A 47 5.188 -16.863 4.377 1.00 13.31 H new ATOM 779 N VAL A 48 3.917 -10.637 3.318 1.00 64.22 N ATOM 780 CA VAL A 48 4.465 -9.296 3.515 1.00 55.52 C ATOM 781 C VAL A 48 5.865 -9.195 2.905 1.00 4.13 C ATOM 782 O VAL A 48 6.301 -8.127 2.485 1.00 13.04 O ATOM 783 CB VAL A 48 4.519 -8.918 5.014 1.00 64.44 C ATOM 784 CG1 VAL A 48 4.989 -7.483 5.199 1.00 23.44 C ATOM 785 CG2 VAL A 48 3.161 -9.119 5.665 1.00 42.44 C ATOM 0 H VAL A 48 3.688 -11.132 4.180 1.00 64.22 H new ATOM 0 HA VAL A 48 3.800 -8.594 3.011 1.00 55.52 H new ATOM 0 HB VAL A 48 5.239 -9.576 5.501 1.00 64.44 H new ATOM 0 HG11 VAL A 48 5.018 -7.244 6.262 1.00 23.44 H new ATOM 0 HG12 VAL A 48 5.986 -7.369 4.774 1.00 23.44 H new ATOM 0 HG13 VAL A 48 4.300 -6.806 4.693 1.00 23.44 H new ATOM 0 HG21 VAL A 48 3.219 -8.848 6.719 1.00 42.44 H new ATOM 0 HG22 VAL A 48 2.423 -8.489 5.169 1.00 42.44 H new ATOM 0 HG23 VAL A 48 2.866 -10.164 5.575 1.00 42.44 H new ATOM 795 N GLU A 49 6.552 -10.327 2.838 1.00 54.35 N ATOM 796 CA GLU A 49 7.874 -10.390 2.235 1.00 54.15 C ATOM 797 C GLU A 49 7.779 -10.280 0.714 1.00 63.42 C ATOM 798 O GLU A 49 8.708 -9.819 0.054 1.00 33.32 O ATOM 799 CB GLU A 49 8.558 -11.708 2.605 1.00 15.52 C ATOM 800 CG GLU A 49 9.958 -11.860 2.027 1.00 23.32 C ATOM 801 CD GLU A 49 10.503 -13.265 2.174 1.00 50.02 C ATOM 802 OE1 GLU A 49 10.252 -14.104 1.279 1.00 4.13 O ATOM 803 OE2 GLU A 49 11.179 -13.544 3.180 1.00 32.53 O ATOM 0 H GLU A 49 6.212 -11.219 3.197 1.00 54.35 H new ATOM 0 HA GLU A 49 8.461 -9.554 2.615 1.00 54.15 H new ATOM 0 HB2 GLU A 49 8.614 -11.785 3.691 1.00 15.52 H new ATOM 0 HB3 GLU A 49 7.940 -12.536 2.258 1.00 15.52 H new ATOM 0 HG2 GLU A 49 9.942 -11.590 0.971 1.00 23.32 H new ATOM 0 HG3 GLU A 49 10.630 -11.160 2.525 1.00 23.32 H new ATOM 810 N ASP A 50 6.642 -10.689 0.161 1.00 11.41 N ATOM 811 CA ASP A 50 6.512 -10.823 -1.284 1.00 3.21 C ATOM 812 C ASP A 50 5.857 -9.597 -1.907 1.00 51.35 C ATOM 813 O ASP A 50 5.507 -9.600 -3.087 1.00 4.11 O ATOM 814 CB ASP A 50 5.733 -12.083 -1.646 1.00 22.20 C ATOM 815 CG ASP A 50 6.403 -12.852 -2.768 1.00 23.15 C ATOM 816 OD1 ASP A 50 7.469 -13.458 -2.521 1.00 42.34 O ATOM 817 OD2 ASP A 50 5.877 -12.857 -3.899 1.00 22.11 O ATOM 0 H ASP A 50 5.803 -10.932 0.688 1.00 11.41 H new ATOM 0 HA ASP A 50 7.519 -10.906 -1.692 1.00 3.21 H new ATOM 0 HB2 ASP A 50 5.646 -12.722 -0.768 1.00 22.20 H new ATOM 0 HB3 ASP A 50 4.720 -11.812 -1.944 1.00 22.20 H new ATOM 822 N VAL A 51 5.730 -8.530 -1.131 1.00 32.25 N ATOM 823 CA VAL A 51 5.254 -7.251 -1.654 1.00 4.24 C ATOM 824 C VAL A 51 6.426 -6.524 -2.340 1.00 63.11 C ATOM 825 O VAL A 51 6.491 -5.298 -2.408 1.00 42.11 O ATOM 826 CB VAL A 51 4.638 -6.390 -0.521 1.00 71.45 C ATOM 827 CG1 VAL A 51 5.705 -5.880 0.440 1.00 13.02 C ATOM 828 CG2 VAL A 51 3.818 -5.241 -1.088 1.00 51.33 C ATOM 0 H VAL A 51 5.950 -8.522 -0.135 1.00 32.25 H new ATOM 0 HA VAL A 51 4.467 -7.425 -2.388 1.00 4.24 H new ATOM 0 HB VAL A 51 3.966 -7.033 0.048 1.00 71.45 H new ATOM 0 HG11 VAL A 51 5.236 -5.281 1.220 1.00 13.02 H new ATOM 0 HG12 VAL A 51 6.221 -6.726 0.893 1.00 13.02 H new ATOM 0 HG13 VAL A 51 6.423 -5.267 -0.105 1.00 13.02 H new ATOM 0 HG21 VAL A 51 3.399 -4.655 -0.270 1.00 51.33 H new ATOM 0 HG22 VAL A 51 4.458 -4.605 -1.700 1.00 51.33 H new ATOM 0 HG23 VAL A 51 3.009 -5.639 -1.701 1.00 51.33 H new ATOM 838 N LYS A 52 7.314 -7.341 -2.899 1.00 22.14 N ATOM 839 CA LYS A 52 8.596 -6.920 -3.454 1.00 64.43 C ATOM 840 C LYS A 52 8.476 -5.768 -4.453 1.00 21.31 C ATOM 841 O LYS A 52 7.455 -5.617 -5.123 1.00 34.10 O ATOM 842 CB LYS A 52 9.258 -8.139 -4.098 1.00 3.14 C ATOM 843 CG LYS A 52 9.514 -9.242 -3.088 1.00 42.20 C ATOM 844 CD LYS A 52 9.986 -10.531 -3.730 1.00 14.44 C ATOM 845 CE LYS A 52 10.320 -11.563 -2.665 1.00 32.22 C ATOM 846 NZ LYS A 52 10.609 -12.901 -3.237 1.00 21.32 N ATOM 0 H LYS A 52 7.156 -8.345 -2.981 1.00 22.14 H new ATOM 0 HA LYS A 52 9.210 -6.531 -2.642 1.00 64.43 H new ATOM 0 HB2 LYS A 52 8.621 -8.519 -4.897 1.00 3.14 H new ATOM 0 HB3 LYS A 52 10.201 -7.841 -4.557 1.00 3.14 H new ATOM 0 HG2 LYS A 52 10.262 -8.904 -2.370 1.00 42.20 H new ATOM 0 HG3 LYS A 52 8.599 -9.435 -2.528 1.00 42.20 H new ATOM 0 HD2 LYS A 52 9.212 -10.920 -4.392 1.00 14.44 H new ATOM 0 HD3 LYS A 52 10.864 -10.337 -4.346 1.00 14.44 H new ATOM 0 HE2 LYS A 52 11.183 -11.223 -2.093 1.00 32.22 H new ATOM 0 HE3 LYS A 52 9.486 -11.643 -1.967 1.00 32.22 H new ATOM 0 HZ1 LYS A 52 11.371 -13.354 -2.693 1.00 21.32 H new ATOM 0 HZ2 LYS A 52 9.753 -13.490 -3.192 1.00 21.32 H new ATOM 0 HZ3 LYS A 52 10.906 -12.798 -4.228 1.00 21.32 H new ATOM 860 N PRO A 53 9.557 -4.969 -4.554 1.00 53.32 N ATOM 861 CA PRO A 53 9.622 -3.723 -5.333 1.00 42.11 C ATOM 862 C PRO A 53 8.806 -3.700 -6.628 1.00 21.55 C ATOM 863 O PRO A 53 7.978 -2.804 -6.825 1.00 11.22 O ATOM 864 CB PRO A 53 11.106 -3.629 -5.649 1.00 1.35 C ATOM 865 CG PRO A 53 11.776 -4.181 -4.441 1.00 21.34 C ATOM 866 CD PRO A 53 10.851 -5.234 -3.886 1.00 5.00 C ATOM 0 HA PRO A 53 9.193 -2.895 -4.769 1.00 42.11 H new ATOM 0 HB2 PRO A 53 11.360 -4.202 -6.541 1.00 1.35 H new ATOM 0 HB3 PRO A 53 11.408 -2.598 -5.835 1.00 1.35 H new ATOM 0 HG2 PRO A 53 12.745 -4.610 -4.696 1.00 21.34 H new ATOM 0 HG3 PRO A 53 11.958 -3.397 -3.706 1.00 21.34 H new ATOM 0 HD2 PRO A 53 11.214 -6.238 -4.105 1.00 5.00 H new ATOM 0 HD3 PRO A 53 10.763 -5.156 -2.802 1.00 5.00 H new ATOM 874 N ARG A 54 9.033 -4.672 -7.509 1.00 63.40 N ATOM 875 CA ARG A 54 8.413 -4.651 -8.833 1.00 42.41 C ATOM 876 C ARG A 54 6.891 -4.771 -8.750 1.00 73.52 C ATOM 877 O ARG A 54 6.185 -4.430 -9.698 1.00 2.22 O ATOM 878 CB ARG A 54 8.972 -5.760 -9.730 1.00 22.43 C ATOM 879 CG ARG A 54 8.632 -7.166 -9.267 1.00 43.23 C ATOM 880 CD ARG A 54 8.988 -8.193 -10.327 1.00 43.23 C ATOM 881 NE ARG A 54 8.655 -9.552 -9.906 1.00 61.42 N ATOM 882 CZ ARG A 54 7.818 -10.351 -10.558 1.00 24.05 C ATOM 883 NH1 ARG A 54 7.186 -9.921 -11.645 1.00 34.05 N ATOM 884 NH2 ARG A 54 7.611 -11.584 -10.120 1.00 32.42 N ATOM 0 H ARG A 54 9.635 -5.476 -7.334 1.00 63.40 H new ATOM 0 HA ARG A 54 8.657 -3.685 -9.276 1.00 42.41 H new ATOM 0 HB2 ARG A 54 8.591 -5.620 -10.742 1.00 22.43 H new ATOM 0 HB3 ARG A 54 10.056 -5.659 -9.781 1.00 22.43 H new ATOM 0 HG2 ARG A 54 9.170 -7.389 -8.346 1.00 43.23 H new ATOM 0 HG3 ARG A 54 7.568 -7.229 -9.038 1.00 43.23 H new ATOM 0 HD2 ARG A 54 8.458 -7.959 -11.250 1.00 43.23 H new ATOM 0 HD3 ARG A 54 10.054 -8.132 -10.547 1.00 43.23 H new ATOM 0 HE ARG A 54 9.093 -9.910 -9.057 1.00 61.42 H new ATOM 0 HH11 ARG A 54 7.342 -8.972 -11.984 1.00 34.05 H new ATOM 0 HH12 ARG A 54 6.545 -10.540 -12.141 1.00 34.05 H new ATOM 0 HH21 ARG A 54 8.094 -11.916 -9.285 1.00 32.42 H new ATOM 0 HH22 ARG A 54 6.969 -12.201 -10.618 1.00 32.42 H new ATOM 898 N HIS A 55 6.383 -5.250 -7.619 1.00 51.50 N ATOM 899 CA HIS A 55 4.942 -5.365 -7.432 1.00 1.31 C ATOM 900 C HIS A 55 4.344 -4.000 -7.134 1.00 42.20 C ATOM 901 O HIS A 55 3.266 -3.668 -7.620 1.00 32.53 O ATOM 902 CB HIS A 55 4.597 -6.355 -6.312 1.00 3.01 C ATOM 903 CG HIS A 55 4.973 -7.767 -6.634 1.00 74.44 C ATOM 904 ND1 HIS A 55 5.522 -8.632 -5.712 1.00 40.42 N ATOM 905 CD2 HIS A 55 4.884 -8.461 -7.791 1.00 24.41 C ATOM 906 CE1 HIS A 55 5.759 -9.793 -6.289 1.00 21.34 C ATOM 907 NE2 HIS A 55 5.379 -9.716 -7.550 1.00 70.34 N ATOM 0 H HIS A 55 6.942 -5.562 -6.825 1.00 51.50 H new ATOM 0 HA HIS A 55 4.513 -5.750 -8.357 1.00 1.31 H new ATOM 0 HB2 HIS A 55 5.106 -6.050 -5.398 1.00 3.01 H new ATOM 0 HB3 HIS A 55 3.527 -6.308 -6.112 1.00 3.01 H new ATOM 0 HD1 HIS A 55 5.715 -8.409 -4.736 1.00 40.42 H new ATOM 0 HD2 HIS A 55 4.495 -8.095 -8.730 1.00 24.41 H new ATOM 0 HE1 HIS A 55 6.191 -10.660 -5.811 1.00 21.34 H new ATOM 916 N ILE A 56 5.066 -3.199 -6.360 1.00 40.42 N ATOM 917 CA ILE A 56 4.628 -1.846 -6.041 1.00 71.54 C ATOM 918 C ILE A 56 4.646 -0.994 -7.305 1.00 23.41 C ATOM 919 O ILE A 56 3.735 -0.209 -7.557 1.00 72.14 O ATOM 920 CB ILE A 56 5.529 -1.200 -4.961 1.00 50.02 C ATOM 921 CG1 ILE A 56 5.479 -2.021 -3.668 1.00 53.24 C ATOM 922 CG2 ILE A 56 5.116 0.242 -4.694 1.00 54.24 C ATOM 923 CD1 ILE A 56 4.091 -2.138 -3.070 1.00 54.13 C ATOM 0 H ILE A 56 5.958 -3.463 -5.941 1.00 40.42 H new ATOM 0 HA ILE A 56 3.614 -1.900 -5.644 1.00 71.54 H new ATOM 0 HB ILE A 56 6.554 -1.192 -5.333 1.00 50.02 H new ATOM 0 HG12 ILE A 56 5.863 -3.021 -3.869 1.00 53.24 H new ATOM 0 HG13 ILE A 56 6.143 -1.566 -2.934 1.00 53.24 H new ATOM 0 HG21 ILE A 56 5.766 0.671 -3.931 1.00 54.24 H new ATOM 0 HG22 ILE A 56 5.203 0.822 -5.613 1.00 54.24 H new ATOM 0 HG23 ILE A 56 4.083 0.266 -4.346 1.00 54.24 H new ATOM 0 HD11 ILE A 56 4.137 -2.733 -2.158 1.00 54.13 H new ATOM 0 HD12 ILE A 56 3.711 -1.144 -2.836 1.00 54.13 H new ATOM 0 HD13 ILE A 56 3.426 -2.622 -3.786 1.00 54.13 H new ATOM 935 N ASP A 57 5.680 -1.185 -8.109 1.00 24.23 N ATOM 936 CA ASP A 57 5.798 -0.510 -9.396 1.00 32.14 C ATOM 937 C ASP A 57 4.624 -0.874 -10.295 1.00 10.43 C ATOM 938 O ASP A 57 4.079 -0.029 -11.007 1.00 40.31 O ATOM 939 CB ASP A 57 7.118 -0.907 -10.067 1.00 21.31 C ATOM 940 CG ASP A 57 7.225 -0.447 -11.510 1.00 24.43 C ATOM 941 OD1 ASP A 57 6.741 -1.172 -12.410 1.00 3.33 O ATOM 942 OD2 ASP A 57 7.817 0.627 -11.759 1.00 1.15 O ATOM 0 H ASP A 57 6.458 -1.808 -7.892 1.00 24.23 H new ATOM 0 HA ASP A 57 5.788 0.568 -9.233 1.00 32.14 H new ATOM 0 HB2 ASP A 57 7.947 -0.487 -9.497 1.00 21.31 H new ATOM 0 HB3 ASP A 57 7.223 -1.991 -10.031 1.00 21.31 H new ATOM 947 N ASP A 58 4.230 -2.138 -10.228 1.00 5.34 N ATOM 948 CA ASP A 58 3.181 -2.671 -11.092 1.00 45.34 C ATOM 949 C ASP A 58 1.794 -2.202 -10.653 1.00 53.13 C ATOM 950 O ASP A 58 0.946 -1.871 -11.484 1.00 63.15 O ATOM 951 CB ASP A 58 3.241 -4.199 -11.108 1.00 40.24 C ATOM 952 CG ASP A 58 2.437 -4.803 -12.242 1.00 15.22 C ATOM 953 OD1 ASP A 58 2.954 -4.847 -13.377 1.00 11.24 O ATOM 954 OD2 ASP A 58 1.300 -5.257 -12.000 1.00 22.53 O ATOM 0 H ASP A 58 4.624 -2.820 -9.579 1.00 5.34 H new ATOM 0 HA ASP A 58 3.354 -2.292 -12.099 1.00 45.34 H new ATOM 0 HB2 ASP A 58 4.280 -4.517 -11.195 1.00 40.24 H new ATOM 0 HB3 ASP A 58 2.868 -4.583 -10.159 1.00 40.24 H new ATOM 959 N VAL A 59 1.559 -2.159 -9.348 1.00 3.30 N ATOM 960 CA VAL A 59 0.257 -1.743 -8.834 1.00 64.43 C ATOM 961 C VAL A 59 0.047 -0.240 -9.009 1.00 24.45 C ATOM 962 O VAL A 59 -1.086 0.223 -9.147 1.00 40.44 O ATOM 963 CB VAL A 59 0.061 -2.138 -7.349 1.00 2.34 C ATOM 964 CG1 VAL A 59 0.155 -3.647 -7.187 1.00 63.30 C ATOM 965 CG2 VAL A 59 1.062 -1.438 -6.442 1.00 14.32 C ATOM 0 H VAL A 59 2.243 -2.404 -8.632 1.00 3.30 H new ATOM 0 HA VAL A 59 -0.492 -2.273 -9.422 1.00 64.43 H new ATOM 0 HB VAL A 59 -0.935 -1.812 -7.048 1.00 2.34 H new ATOM 0 HG11 VAL A 59 0.015 -3.910 -6.138 1.00 63.30 H new ATOM 0 HG12 VAL A 59 -0.618 -4.126 -7.787 1.00 63.30 H new ATOM 0 HG13 VAL A 59 1.136 -3.988 -7.519 1.00 63.30 H new ATOM 0 HG21 VAL A 59 0.891 -1.742 -5.409 1.00 14.32 H new ATOM 0 HG22 VAL A 59 2.075 -1.712 -6.738 1.00 14.32 H new ATOM 0 HG23 VAL A 59 0.938 -0.358 -6.528 1.00 14.32 H new ATOM 975 N LEU A 60 1.146 0.514 -9.033 1.00 11.22 N ATOM 976 CA LEU A 60 1.078 1.962 -9.205 1.00 62.34 C ATOM 977 C LEU A 60 0.568 2.332 -10.595 1.00 14.40 C ATOM 978 O LEU A 60 -0.162 3.305 -10.749 1.00 14.14 O ATOM 979 CB LEU A 60 2.439 2.610 -8.943 1.00 11.12 C ATOM 980 CG LEU A 60 2.866 2.645 -7.472 1.00 63.44 C ATOM 981 CD1 LEU A 60 4.231 3.296 -7.324 1.00 32.21 C ATOM 982 CD2 LEU A 60 1.831 3.382 -6.637 1.00 42.34 C ATOM 0 H LEU A 60 2.092 0.145 -8.936 1.00 11.22 H new ATOM 0 HA LEU A 60 0.368 2.346 -8.472 1.00 62.34 H new ATOM 0 HB2 LEU A 60 3.197 2.072 -9.513 1.00 11.12 H new ATOM 0 HB3 LEU A 60 2.418 3.631 -9.324 1.00 11.12 H new ATOM 0 HG LEU A 60 2.936 1.619 -7.111 1.00 63.44 H new ATOM 0 HD11 LEU A 60 4.515 3.311 -6.272 1.00 32.21 H new ATOM 0 HD12 LEU A 60 4.968 2.728 -7.891 1.00 32.21 H new ATOM 0 HD13 LEU A 60 4.190 4.317 -7.703 1.00 32.21 H new ATOM 0 HD21 LEU A 60 2.149 3.398 -5.595 1.00 42.34 H new ATOM 0 HD22 LEU A 60 1.730 4.404 -7.002 1.00 42.34 H new ATOM 0 HD23 LEU A 60 0.871 2.873 -6.715 1.00 42.34 H new ATOM 994 N LYS A 61 0.942 1.550 -11.603 1.00 30.43 N ATOM 995 CA LYS A 61 0.430 1.761 -12.958 1.00 62.52 C ATOM 996 C LYS A 61 -1.079 1.629 -12.947 1.00 45.15 C ATOM 997 O LYS A 61 -1.815 2.523 -13.371 1.00 41.15 O ATOM 998 CB LYS A 61 0.966 0.707 -13.913 1.00 52.10 C ATOM 999 CG LYS A 61 2.422 0.374 -13.734 1.00 54.22 C ATOM 1000 CD LYS A 61 2.613 -1.119 -13.837 1.00 61.12 C ATOM 1001 CE LYS A 61 3.667 -1.484 -14.840 1.00 40.00 C ATOM 1002 NZ LYS A 61 5.004 -0.940 -14.477 1.00 13.24 N ATOM 0 H LYS A 61 1.592 0.770 -11.512 1.00 30.43 H new ATOM 0 HA LYS A 61 0.745 2.752 -13.285 1.00 62.52 H new ATOM 0 HB2 LYS A 61 0.382 -0.205 -13.790 1.00 52.10 H new ATOM 0 HB3 LYS A 61 0.810 1.051 -14.936 1.00 52.10 H new ATOM 0 HG2 LYS A 61 3.018 0.881 -14.493 1.00 54.22 H new ATOM 0 HG3 LYS A 61 2.771 0.730 -12.765 1.00 54.22 H new ATOM 0 HD2 LYS A 61 2.889 -1.517 -12.861 1.00 61.12 H new ATOM 0 HD3 LYS A 61 1.669 -1.587 -14.117 1.00 61.12 H new ATOM 0 HE2 LYS A 61 3.728 -2.569 -14.921 1.00 40.00 H new ATOM 0 HE3 LYS A 61 3.378 -1.107 -15.821 1.00 40.00 H new ATOM 0 HZ1 LYS A 61 5.703 -1.232 -15.190 1.00 13.24 H new ATOM 0 HZ2 LYS A 61 4.958 0.098 -14.442 1.00 13.24 H new ATOM 0 HZ3 LYS A 61 5.286 -1.306 -13.545 1.00 13.24 H new ATOM 1016 N ALA A 62 -1.514 0.466 -12.481 1.00 3.13 N ATOM 1017 CA ALA A 62 -2.934 0.151 -12.350 1.00 40.31 C ATOM 1018 C ALA A 62 -3.723 1.267 -11.654 1.00 42.14 C ATOM 1019 O ALA A 62 -4.740 1.729 -12.180 1.00 71.42 O ATOM 1020 CB ALA A 62 -3.106 -1.163 -11.596 1.00 63.51 C ATOM 0 H ALA A 62 -0.894 -0.287 -12.183 1.00 3.13 H new ATOM 0 HA ALA A 62 -3.339 0.055 -13.357 1.00 40.31 H new ATOM 0 HB1 ALA A 62 -4.167 -1.392 -11.502 1.00 63.51 H new ATOM 0 HB2 ALA A 62 -2.609 -1.964 -12.143 1.00 63.51 H new ATOM 0 HB3 ALA A 62 -2.665 -1.073 -10.603 1.00 63.51 H new ATOM 1026 N VAL A 63 -3.253 1.712 -10.490 1.00 60.22 N ATOM 1027 CA VAL A 63 -3.991 2.703 -9.704 1.00 51.21 C ATOM 1028 C VAL A 63 -4.006 4.080 -10.381 1.00 32.34 C ATOM 1029 O VAL A 63 -4.952 4.849 -10.207 1.00 11.25 O ATOM 1030 CB VAL A 63 -3.445 2.825 -8.259 1.00 64.05 C ATOM 1031 CG1 VAL A 63 -2.062 3.453 -8.231 1.00 5.10 C ATOM 1032 CG2 VAL A 63 -4.410 3.612 -7.385 1.00 3.41 C ATOM 0 H VAL A 63 -2.374 1.407 -10.072 1.00 60.22 H new ATOM 0 HA VAL A 63 -5.017 2.340 -9.649 1.00 51.21 H new ATOM 0 HB VAL A 63 -3.355 1.816 -7.857 1.00 64.05 H new ATOM 0 HG11 VAL A 63 -1.714 3.521 -7.200 1.00 5.10 H new ATOM 0 HG12 VAL A 63 -1.371 2.838 -8.807 1.00 5.10 H new ATOM 0 HG13 VAL A 63 -2.107 4.452 -8.665 1.00 5.10 H new ATOM 0 HG21 VAL A 63 -4.008 3.686 -6.375 1.00 3.41 H new ATOM 0 HG22 VAL A 63 -4.541 4.612 -7.798 1.00 3.41 H new ATOM 0 HG23 VAL A 63 -5.373 3.102 -7.356 1.00 3.41 H new ATOM 1042 N MET A 64 -2.979 4.384 -11.171 1.00 11.31 N ATOM 1043 CA MET A 64 -2.929 5.656 -11.890 1.00 35.13 C ATOM 1044 C MET A 64 -3.956 5.682 -13.012 1.00 4.11 C ATOM 1045 O MET A 64 -4.486 6.738 -13.356 1.00 31.23 O ATOM 1046 CB MET A 64 -1.539 5.917 -12.477 1.00 21.42 C ATOM 1047 CG MET A 64 -0.469 6.193 -11.435 1.00 23.13 C ATOM 1048 SD MET A 64 1.134 6.572 -12.174 1.00 62.11 S ATOM 1049 CE MET A 64 2.171 6.677 -10.714 1.00 14.41 C ATOM 0 H MET A 64 -2.177 3.774 -11.329 1.00 11.31 H new ATOM 0 HA MET A 64 -3.157 6.440 -11.168 1.00 35.13 H new ATOM 0 HB2 MET A 64 -1.239 5.054 -13.071 1.00 21.42 H new ATOM 0 HB3 MET A 64 -1.597 6.767 -13.157 1.00 21.42 H new ATOM 0 HG2 MET A 64 -0.783 7.028 -10.809 1.00 23.13 H new ATOM 0 HG3 MET A 64 -0.369 5.325 -10.783 1.00 23.13 H new ATOM 0 HE1 MET A 64 3.218 6.729 -11.014 1.00 14.41 H new ATOM 0 HE2 MET A 64 1.911 7.571 -10.147 1.00 14.41 H new ATOM 0 HE3 MET A 64 2.015 5.795 -10.093 1.00 14.41 H new ATOM 1059 N LYS A 65 -4.241 4.517 -13.579 1.00 74.51 N ATOM 1060 CA LYS A 65 -5.150 4.422 -14.698 1.00 40.34 C ATOM 1061 C LYS A 65 -6.598 4.354 -14.216 1.00 13.42 C ATOM 1062 O LYS A 65 -7.439 5.143 -14.645 1.00 5.14 O ATOM 1063 CB LYS A 65 -4.775 3.196 -15.542 1.00 41.33 C ATOM 1064 CG LYS A 65 -5.614 3.003 -16.796 1.00 71.44 C ATOM 1065 CD LYS A 65 -6.911 2.275 -16.492 1.00 64.42 C ATOM 1066 CE LYS A 65 -6.667 0.834 -16.071 1.00 34.12 C ATOM 1067 NZ LYS A 65 -6.219 -0.022 -17.204 1.00 40.00 N ATOM 0 H LYS A 65 -3.850 3.625 -13.276 1.00 74.51 H new ATOM 0 HA LYS A 65 -5.065 5.314 -15.318 1.00 40.34 H new ATOM 0 HB2 LYS A 65 -3.728 3.279 -15.832 1.00 41.33 H new ATOM 0 HB3 LYS A 65 -4.864 2.304 -14.921 1.00 41.33 H new ATOM 0 HG2 LYS A 65 -5.836 3.974 -17.239 1.00 71.44 H new ATOM 0 HG3 LYS A 65 -5.043 2.439 -17.533 1.00 71.44 H new ATOM 0 HD2 LYS A 65 -7.445 2.799 -15.699 1.00 64.42 H new ATOM 0 HD3 LYS A 65 -7.552 2.292 -17.373 1.00 64.42 H new ATOM 0 HE2 LYS A 65 -5.914 0.811 -15.283 1.00 34.12 H new ATOM 0 HE3 LYS A 65 -7.583 0.422 -15.649 1.00 34.12 H new ATOM 0 HZ1 LYS A 65 -6.181 -1.014 -16.895 1.00 40.00 H new ATOM 0 HZ2 LYS A 65 -6.889 0.069 -17.994 1.00 40.00 H new ATOM 0 HZ3 LYS A 65 -5.274 0.281 -17.515 1.00 40.00 H new ATOM 1081 N ARG A 66 -6.881 3.424 -13.310 1.00 73.42 N ATOM 1082 CA ARG A 66 -8.259 3.182 -12.886 1.00 31.51 C ATOM 1083 C ARG A 66 -8.676 4.118 -11.757 1.00 60.44 C ATOM 1084 O ARG A 66 -9.850 4.174 -11.383 1.00 3.15 O ATOM 1085 CB ARG A 66 -8.449 1.722 -12.470 1.00 44.12 C ATOM 1086 CG ARG A 66 -7.709 1.310 -11.205 1.00 71.13 C ATOM 1087 CD ARG A 66 -7.912 -0.170 -10.936 1.00 12.05 C ATOM 1088 NE ARG A 66 -7.426 -0.588 -9.622 1.00 52.23 N ATOM 1089 CZ ARG A 66 -7.775 -1.741 -9.046 1.00 74.21 C ATOM 1090 NH1 ARG A 66 -8.601 -2.577 -9.669 1.00 11.14 N ATOM 1091 NH2 ARG A 66 -7.307 -2.058 -7.850 1.00 41.11 N ATOM 0 H ARG A 66 -6.185 2.831 -12.858 1.00 73.42 H new ATOM 0 HA ARG A 66 -8.903 3.389 -13.740 1.00 31.51 H new ATOM 0 HB2 ARG A 66 -9.514 1.537 -12.326 1.00 44.12 H new ATOM 0 HB3 ARG A 66 -8.122 1.081 -13.289 1.00 44.12 H new ATOM 0 HG2 ARG A 66 -6.646 1.525 -11.311 1.00 71.13 H new ATOM 0 HG3 ARG A 66 -8.069 1.894 -10.358 1.00 71.13 H new ATOM 0 HD2 ARG A 66 -8.973 -0.405 -11.015 1.00 12.05 H new ATOM 0 HD3 ARG A 66 -7.399 -0.746 -11.706 1.00 12.05 H new ATOM 0 HE ARG A 66 -6.789 0.031 -9.121 1.00 52.23 H new ATOM 0 HH11 ARG A 66 -8.970 -2.338 -10.590 1.00 11.14 H new ATOM 0 HH12 ARG A 66 -8.866 -3.457 -9.226 1.00 11.14 H new ATOM 0 HH21 ARG A 66 -6.677 -1.420 -7.364 1.00 41.11 H new ATOM 0 HH22 ARG A 66 -7.577 -2.940 -7.414 1.00 41.11 H new ATOM 1105 N GLY A 67 -7.715 4.832 -11.206 1.00 4.03 N ATOM 1106 CA GLY A 67 -8.013 5.835 -10.211 1.00 51.31 C ATOM 1107 C GLY A 67 -7.555 7.200 -10.664 1.00 14.01 C ATOM 1108 O GLY A 67 -8.265 7.890 -11.398 1.00 73.33 O ATOM 0 H GLY A 67 -6.725 4.735 -11.431 1.00 4.03 H new ATOM 0 HA2 GLY A 67 -9.086 5.853 -10.018 1.00 51.31 H new ATOM 0 HA3 GLY A 67 -7.524 5.577 -9.272 1.00 51.31 H new ATOM 1112 N ALA A 68 -6.357 7.575 -10.242 1.00 60.12 N ATOM 1113 CA ALA A 68 -5.748 8.832 -10.646 1.00 2.14 C ATOM 1114 C ALA A 68 -4.304 8.886 -10.172 1.00 4.22 C ATOM 1115 O ALA A 68 -3.980 8.378 -9.095 1.00 4.34 O ATOM 1116 CB ALA A 68 -6.526 10.019 -10.091 1.00 53.22 C ATOM 0 H ALA A 68 -5.781 7.018 -9.611 1.00 60.12 H new ATOM 0 HA ALA A 68 -5.771 8.889 -11.734 1.00 2.14 H new ATOM 0 HB1 ALA A 68 -6.049 10.947 -10.408 1.00 53.22 H new ATOM 0 HB2 ALA A 68 -7.549 9.990 -10.465 1.00 53.22 H new ATOM 0 HB3 ALA A 68 -6.537 9.970 -9.002 1.00 53.22 H new ATOM 1122 N PRO A 69 -3.414 9.498 -10.964 1.00 72.41 N ATOM 1123 CA PRO A 69 -2.003 9.654 -10.596 1.00 11.21 C ATOM 1124 C PRO A 69 -1.834 10.484 -9.324 1.00 15.55 C ATOM 1125 O PRO A 69 -0.827 10.371 -8.623 1.00 34.33 O ATOM 1126 CB PRO A 69 -1.389 10.378 -11.802 1.00 61.10 C ATOM 1127 CG PRO A 69 -2.542 10.993 -12.521 1.00 73.21 C ATOM 1128 CD PRO A 69 -3.707 10.077 -12.287 1.00 4.43 C ATOM 0 HA PRO A 69 -1.527 8.697 -10.381 1.00 11.21 H new ATOM 0 HB2 PRO A 69 -0.674 11.137 -11.483 1.00 61.10 H new ATOM 0 HB3 PRO A 69 -0.850 9.683 -12.445 1.00 61.10 H new ATOM 0 HG2 PRO A 69 -2.750 11.994 -12.143 1.00 73.21 H new ATOM 0 HG3 PRO A 69 -2.331 11.092 -13.586 1.00 73.21 H new ATOM 0 HD2 PRO A 69 -4.653 10.619 -12.290 1.00 4.43 H new ATOM 0 HD3 PRO A 69 -3.777 9.309 -13.057 1.00 4.43 H new ATOM 1136 N SER A 70 -2.841 11.302 -9.034 1.00 44.10 N ATOM 1137 CA SER A 70 -2.857 12.146 -7.847 1.00 64.21 C ATOM 1138 C SER A 70 -2.929 11.300 -6.573 1.00 15.04 C ATOM 1139 O SER A 70 -2.456 11.706 -5.510 1.00 21.35 O ATOM 1140 CB SER A 70 -4.059 13.084 -7.922 1.00 1.04 C ATOM 1141 OG SER A 70 -4.328 13.445 -9.270 1.00 1.33 O ATOM 0 H SER A 70 -3.671 11.398 -9.619 1.00 44.10 H new ATOM 0 HA SER A 70 -1.935 12.726 -7.811 1.00 64.21 H new ATOM 0 HB2 SER A 70 -4.933 12.599 -7.488 1.00 1.04 H new ATOM 0 HB3 SER A 70 -3.866 13.980 -7.332 1.00 1.04 H new ATOM 0 HG SER A 70 -5.102 14.045 -9.300 1.00 1.33 H new ATOM 1147 N ILE A 71 -3.538 10.127 -6.689 1.00 13.30 N ATOM 1148 CA ILE A 71 -3.632 9.202 -5.572 1.00 34.13 C ATOM 1149 C ILE A 71 -2.295 8.504 -5.352 1.00 24.01 C ATOM 1150 O ILE A 71 -1.787 8.469 -4.236 1.00 70.34 O ATOM 1151 CB ILE A 71 -4.752 8.144 -5.787 1.00 51.45 C ATOM 1152 CG1 ILE A 71 -6.142 8.758 -5.579 1.00 4.22 C ATOM 1153 CG2 ILE A 71 -4.572 6.950 -4.860 1.00 31.10 C ATOM 1154 CD1 ILE A 71 -6.602 9.652 -6.709 1.00 55.43 C ATOM 0 H ILE A 71 -3.975 9.795 -7.549 1.00 13.30 H new ATOM 0 HA ILE A 71 -3.890 9.784 -4.687 1.00 34.13 H new ATOM 0 HB ILE A 71 -4.673 7.798 -6.818 1.00 51.45 H new ATOM 0 HG12 ILE A 71 -6.866 7.954 -5.450 1.00 4.22 H new ATOM 0 HG13 ILE A 71 -6.137 9.334 -4.654 1.00 4.22 H new ATOM 0 HG21 ILE A 71 -5.371 6.229 -5.036 1.00 31.10 H new ATOM 0 HG22 ILE A 71 -3.609 6.479 -5.056 1.00 31.10 H new ATOM 0 HG23 ILE A 71 -4.607 7.285 -3.824 1.00 31.10 H new ATOM 0 HD11 ILE A 71 -7.593 10.044 -6.482 1.00 55.43 H new ATOM 0 HD12 ILE A 71 -5.902 10.479 -6.826 1.00 55.43 H new ATOM 0 HD13 ILE A 71 -6.643 9.077 -7.634 1.00 55.43 H new ATOM 1166 N ALA A 72 -1.716 8.009 -6.442 1.00 25.24 N ATOM 1167 CA ALA A 72 -0.518 7.174 -6.387 1.00 72.30 C ATOM 1168 C ALA A 72 0.647 7.842 -5.658 1.00 24.01 C ATOM 1169 O ALA A 72 1.387 7.181 -4.929 1.00 13.54 O ATOM 1170 CB ALA A 72 -0.098 6.790 -7.791 1.00 20.25 C ATOM 0 H ALA A 72 -2.062 8.174 -7.387 1.00 25.24 H new ATOM 0 HA ALA A 72 -0.777 6.284 -5.813 1.00 72.30 H new ATOM 0 HB1 ALA A 72 0.796 6.167 -7.746 1.00 20.25 H new ATOM 0 HB2 ALA A 72 -0.903 6.235 -8.273 1.00 20.25 H new ATOM 0 HB3 ALA A 72 0.116 7.691 -8.366 1.00 20.25 H new ATOM 1176 N ASN A 73 0.825 9.144 -5.849 1.00 10.34 N ATOM 1177 CA ASN A 73 1.941 9.839 -5.212 1.00 63.32 C ATOM 1178 C ASN A 73 1.680 10.013 -3.717 1.00 30.52 C ATOM 1179 O ASN A 73 2.607 9.975 -2.908 1.00 61.24 O ATOM 1180 CB ASN A 73 2.225 11.197 -5.877 1.00 32.12 C ATOM 1181 CG ASN A 73 1.121 12.220 -5.675 1.00 40.31 C ATOM 1182 OD1 ASN A 73 0.184 12.302 -6.466 1.00 33.22 O ATOM 1183 ND2 ASN A 73 1.243 13.029 -4.634 1.00 33.03 N ATOM 0 H ASN A 73 0.225 9.732 -6.428 1.00 10.34 H new ATOM 0 HA ASN A 73 2.830 9.222 -5.343 1.00 63.32 H new ATOM 0 HB2 ASN A 73 3.157 11.598 -5.479 1.00 32.12 H new ATOM 0 HB3 ASN A 73 2.375 11.044 -6.946 1.00 32.12 H new ATOM 0 HD21 ASN A 73 0.544 13.753 -4.466 1.00 33.03 H new ATOM 0 HD22 ASN A 73 2.036 12.929 -4.000 1.00 33.03 H new ATOM 1190 N ASP A 74 0.416 10.188 -3.348 1.00 34.54 N ATOM 1191 CA ASP A 74 0.051 10.335 -1.944 1.00 32.30 C ATOM 1192 C ASP A 74 0.065 8.984 -1.239 1.00 72.31 C ATOM 1193 O ASP A 74 0.492 8.879 -0.089 1.00 13.15 O ATOM 1194 CB ASP A 74 -1.318 10.992 -1.792 1.00 11.04 C ATOM 1195 CG ASP A 74 -1.629 11.319 -0.346 1.00 73.25 C ATOM 1196 OD1 ASP A 74 -1.160 12.371 0.144 1.00 32.21 O ATOM 1197 OD2 ASP A 74 -2.337 10.529 0.309 1.00 62.32 O ATOM 0 H ASP A 74 -0.369 10.231 -3.998 1.00 34.54 H new ATOM 0 HA ASP A 74 0.793 10.983 -1.478 1.00 32.30 H new ATOM 0 HB2 ASP A 74 -1.351 11.905 -2.386 1.00 11.04 H new ATOM 0 HB3 ASP A 74 -2.086 10.327 -2.187 1.00 11.04 H new ATOM 1202 N THR A 75 -0.395 7.949 -1.931 1.00 2.34 N ATOM 1203 CA THR A 75 -0.387 6.603 -1.381 1.00 32.11 C ATOM 1204 C THR A 75 1.040 6.090 -1.234 1.00 52.12 C ATOM 1205 O THR A 75 1.324 5.275 -0.363 1.00 70.55 O ATOM 1206 CB THR A 75 -1.247 5.621 -2.203 1.00 63.41 C ATOM 1207 OG1 THR A 75 -0.942 5.717 -3.597 1.00 64.51 O ATOM 1208 CG2 THR A 75 -2.726 5.898 -1.978 1.00 33.30 C ATOM 0 H THR A 75 -0.778 8.018 -2.874 1.00 2.34 H new ATOM 0 HA THR A 75 -0.841 6.661 -0.392 1.00 32.11 H new ATOM 0 HB THR A 75 -1.017 4.610 -1.867 1.00 63.41 H new ATOM 0 HG1 THR A 75 -0.082 6.172 -3.713 1.00 64.51 H new ATOM 0 HG21 THR A 75 -3.321 5.198 -2.564 1.00 33.30 H new ATOM 0 HG22 THR A 75 -2.962 5.778 -0.921 1.00 33.30 H new ATOM 0 HG23 THR A 75 -2.956 6.917 -2.288 1.00 33.30 H new ATOM 1216 N LEU A 76 1.936 6.560 -2.096 1.00 11.40 N ATOM 1217 CA LEU A 76 3.361 6.290 -1.932 1.00 12.50 C ATOM 1218 C LEU A 76 3.816 6.697 -0.524 1.00 22.32 C ATOM 1219 O LEU A 76 4.604 5.997 0.113 1.00 41.11 O ATOM 1220 CB LEU A 76 4.174 7.040 -2.994 1.00 53.10 C ATOM 1221 CG LEU A 76 5.678 6.749 -2.997 1.00 31.13 C ATOM 1222 CD1 LEU A 76 5.943 5.276 -3.269 1.00 1.32 C ATOM 1223 CD2 LEU A 76 6.382 7.619 -4.028 1.00 75.32 C ATOM 0 H LEU A 76 1.703 7.127 -2.911 1.00 11.40 H new ATOM 0 HA LEU A 76 3.531 5.221 -2.060 1.00 12.50 H new ATOM 0 HB2 LEU A 76 3.771 6.793 -3.976 1.00 53.10 H new ATOM 0 HB3 LEU A 76 4.029 8.111 -2.850 1.00 53.10 H new ATOM 0 HG LEU A 76 6.076 6.988 -2.011 1.00 31.13 H new ATOM 0 HD11 LEU A 76 7.018 5.093 -3.266 1.00 1.32 H new ATOM 0 HD12 LEU A 76 5.470 4.672 -2.494 1.00 1.32 H new ATOM 0 HD13 LEU A 76 5.531 5.006 -4.241 1.00 1.32 H new ATOM 0 HD21 LEU A 76 7.450 7.402 -4.019 1.00 75.32 H new ATOM 0 HD22 LEU A 76 5.977 7.410 -5.018 1.00 75.32 H new ATOM 0 HD23 LEU A 76 6.224 8.670 -3.786 1.00 75.32 H new ATOM 1235 N ARG A 77 3.290 7.824 -0.034 1.00 13.13 N ATOM 1236 CA ARG A 77 3.548 8.271 1.338 1.00 61.30 C ATOM 1237 C ARG A 77 2.976 7.265 2.332 1.00 42.13 C ATOM 1238 O ARG A 77 3.598 6.937 3.344 1.00 41.12 O ATOM 1239 CB ARG A 77 2.898 9.632 1.597 1.00 43.02 C ATOM 1240 CG ARG A 77 3.418 10.767 0.733 1.00 10.33 C ATOM 1241 CD ARG A 77 2.542 11.999 0.891 1.00 2.41 C ATOM 1242 NE ARG A 77 3.125 13.184 0.268 1.00 13.04 N ATOM 1243 CZ ARG A 77 2.412 14.185 -0.249 1.00 1.22 C ATOM 1244 NH1 ARG A 77 1.085 14.113 -0.289 1.00 31.24 N ATOM 1245 NH2 ARG A 77 3.029 15.259 -0.730 1.00 22.12 N ATOM 0 H ARG A 77 2.682 8.444 -0.569 1.00 13.13 H new ATOM 0 HA ARG A 77 4.627 8.354 1.465 1.00 61.30 H new ATOM 0 HB2 ARG A 77 1.823 9.540 1.441 1.00 43.02 H new ATOM 0 HB3 ARG A 77 3.047 9.895 2.644 1.00 43.02 H new ATOM 0 HG2 ARG A 77 4.444 11.005 1.013 1.00 10.33 H new ATOM 0 HG3 ARG A 77 3.436 10.458 -0.312 1.00 10.33 H new ATOM 0 HD2 ARG A 77 1.564 11.805 0.450 1.00 2.41 H new ATOM 0 HD3 ARG A 77 2.381 12.192 1.951 1.00 2.41 H new ATOM 0 HE ARG A 77 4.142 13.250 0.226 1.00 13.04 H new ATOM 0 HH11 ARG A 77 0.608 13.289 0.077 1.00 31.24 H new ATOM 0 HH12 ARG A 77 0.544 14.882 -0.686 1.00 31.24 H new ATOM 0 HH21 ARG A 77 4.047 15.317 -0.703 1.00 22.12 H new ATOM 0 HH22 ARG A 77 2.485 16.025 -1.126 1.00 22.12 H new ATOM 1259 N TRP A 78 1.776 6.793 2.024 1.00 70.23 N ATOM 1260 CA TRP A 78 1.069 5.819 2.847 1.00 73.42 C ATOM 1261 C TRP A 78 1.883 4.526 2.941 1.00 72.41 C ATOM 1262 O TRP A 78 2.078 3.978 4.030 1.00 75.41 O ATOM 1263 CB TRP A 78 -0.301 5.554 2.214 1.00 3.44 C ATOM 1264 CG TRP A 78 -1.321 4.955 3.135 1.00 20.23 C ATOM 1265 CD1 TRP A 78 -1.604 3.630 3.297 1.00 73.31 C ATOM 1266 CD2 TRP A 78 -2.215 5.669 4.000 1.00 4.23 C ATOM 1267 NE1 TRP A 78 -2.623 3.474 4.207 1.00 3.12 N ATOM 1268 CE2 TRP A 78 -3.012 4.713 4.656 1.00 70.42 C ATOM 1269 CE3 TRP A 78 -2.418 7.025 4.283 1.00 54.14 C ATOM 1270 CZ2 TRP A 78 -3.996 5.073 5.578 1.00 32.24 C ATOM 1271 CZ3 TRP A 78 -3.390 7.378 5.200 1.00 41.43 C ATOM 1272 CH2 TRP A 78 -4.168 6.407 5.837 1.00 40.21 C ATOM 0 H TRP A 78 1.261 7.077 1.190 1.00 70.23 H new ATOM 0 HA TRP A 78 0.934 6.205 3.858 1.00 73.42 H new ATOM 0 HB2 TRP A 78 -0.693 6.494 1.825 1.00 3.44 H new ATOM 0 HB3 TRP A 78 -0.168 4.888 1.362 1.00 3.44 H new ATOM 0 HD1 TRP A 78 -1.101 2.822 2.786 1.00 73.31 H new ATOM 0 HE1 TRP A 78 -3.025 2.584 4.501 1.00 3.12 H new ATOM 0 HE3 TRP A 78 -1.825 7.783 3.793 1.00 54.14 H new ATOM 0 HZ2 TRP A 78 -4.601 4.326 6.070 1.00 32.24 H new ATOM 0 HZ3 TRP A 78 -3.551 8.421 5.428 1.00 41.43 H new ATOM 0 HH2 TRP A 78 -4.920 6.715 6.548 1.00 40.21 H new ATOM 1283 N LEU A 79 2.367 4.070 1.789 1.00 43.02 N ATOM 1284 CA LEU A 79 3.218 2.886 1.702 1.00 73.30 C ATOM 1285 C LEU A 79 4.511 3.089 2.478 1.00 13.03 C ATOM 1286 O LEU A 79 4.929 2.216 3.236 1.00 41.35 O ATOM 1287 CB LEU A 79 3.541 2.574 0.238 1.00 63.22 C ATOM 1288 CG LEU A 79 2.342 2.191 -0.632 1.00 70.40 C ATOM 1289 CD1 LEU A 79 2.767 2.040 -2.084 1.00 25.45 C ATOM 1290 CD2 LEU A 79 1.705 0.907 -0.127 1.00 43.24 C ATOM 0 H LEU A 79 2.180 4.511 0.888 1.00 43.02 H new ATOM 0 HA LEU A 79 2.676 2.047 2.140 1.00 73.30 H new ATOM 0 HB2 LEU A 79 4.025 3.445 -0.203 1.00 63.22 H new ATOM 0 HB3 LEU A 79 4.264 1.759 0.209 1.00 63.22 H new ATOM 0 HG LEU A 79 1.602 2.989 -0.570 1.00 70.40 H new ATOM 0 HD11 LEU A 79 1.903 1.767 -2.690 1.00 25.45 H new ATOM 0 HD12 LEU A 79 3.178 2.983 -2.443 1.00 25.45 H new ATOM 0 HD13 LEU A 79 3.525 1.261 -2.162 1.00 25.45 H new ATOM 0 HD21 LEU A 79 0.854 0.650 -0.758 1.00 43.24 H new ATOM 0 HD22 LEU A 79 2.437 0.100 -0.160 1.00 43.24 H new ATOM 0 HD23 LEU A 79 1.366 1.048 0.899 1.00 43.24 H new ATOM 1302 N LYS A 80 5.142 4.243 2.273 1.00 51.44 N ATOM 1303 CA LYS A 80 6.354 4.616 2.988 1.00 22.23 C ATOM 1304 C LYS A 80 6.198 4.382 4.485 1.00 55.30 C ATOM 1305 O LYS A 80 6.966 3.637 5.097 1.00 24.44 O ATOM 1306 CB LYS A 80 6.647 6.093 2.734 1.00 53.15 C ATOM 1307 CG LYS A 80 8.010 6.371 2.129 1.00 4.43 C ATOM 1308 CD LYS A 80 9.135 6.202 3.134 1.00 2.12 C ATOM 1309 CE LYS A 80 9.461 4.741 3.403 1.00 1.22 C ATOM 1310 NZ LYS A 80 10.687 4.584 4.232 1.00 62.43 N ATOM 0 H LYS A 80 4.824 4.945 1.605 1.00 51.44 H new ATOM 0 HA LYS A 80 7.177 3.999 2.628 1.00 22.23 H new ATOM 0 HB2 LYS A 80 5.881 6.493 2.070 1.00 53.15 H new ATOM 0 HB3 LYS A 80 6.565 6.634 3.677 1.00 53.15 H new ATOM 0 HG2 LYS A 80 8.175 5.699 1.287 1.00 4.43 H new ATOM 0 HG3 LYS A 80 8.029 7.387 1.734 1.00 4.43 H new ATOM 0 HD2 LYS A 80 10.027 6.708 2.764 1.00 2.12 H new ATOM 0 HD3 LYS A 80 8.858 6.687 4.070 1.00 2.12 H new ATOM 0 HE2 LYS A 80 8.619 4.269 3.909 1.00 1.22 H new ATOM 0 HE3 LYS A 80 9.596 4.220 2.455 1.00 1.22 H new ATOM 0 HZ1 LYS A 80 10.872 3.573 4.391 1.00 62.43 H new ATOM 0 HZ2 LYS A 80 11.497 5.011 3.738 1.00 62.43 H new ATOM 0 HZ3 LYS A 80 10.550 5.059 5.147 1.00 62.43 H new ATOM 1324 N ARG A 81 5.207 5.046 5.056 1.00 72.20 N ATOM 1325 CA ARG A 81 4.870 4.889 6.467 1.00 0.44 C ATOM 1326 C ARG A 81 4.648 3.418 6.829 1.00 14.55 C ATOM 1327 O ARG A 81 5.187 2.927 7.819 1.00 64.32 O ATOM 1328 CB ARG A 81 3.600 5.678 6.800 1.00 0.43 C ATOM 1329 CG ARG A 81 3.716 7.181 6.606 1.00 73.22 C ATOM 1330 CD ARG A 81 2.363 7.855 6.778 1.00 10.02 C ATOM 1331 NE ARG A 81 2.440 9.306 6.624 1.00 32.14 N ATOM 1332 CZ ARG A 81 1.829 9.994 5.660 1.00 21.44 C ATOM 1333 NH1 ARG A 81 1.104 9.365 4.740 1.00 40.43 N ATOM 1334 NH2 ARG A 81 1.944 11.314 5.627 1.00 31.11 N ATOM 0 H ARG A 81 4.612 5.709 4.558 1.00 72.20 H new ATOM 0 HA ARG A 81 5.710 5.271 7.047 1.00 0.44 H new ATOM 0 HB2 ARG A 81 2.785 5.307 6.179 1.00 0.43 H new ATOM 0 HB3 ARG A 81 3.327 5.479 7.836 1.00 0.43 H new ATOM 0 HG2 ARG A 81 4.425 7.591 7.325 1.00 73.22 H new ATOM 0 HG3 ARG A 81 4.110 7.394 5.612 1.00 73.22 H new ATOM 0 HD2 ARG A 81 1.663 7.451 6.046 1.00 10.02 H new ATOM 0 HD3 ARG A 81 1.965 7.618 7.764 1.00 10.02 H new ATOM 0 HE ARG A 81 2.999 9.827 7.300 1.00 32.14 H new ATOM 0 HH11 ARG A 81 1.013 8.350 4.769 1.00 40.43 H new ATOM 0 HH12 ARG A 81 0.639 9.898 4.005 1.00 40.43 H new ATOM 0 HH21 ARG A 81 2.497 11.796 6.336 1.00 31.11 H new ATOM 0 HH22 ARG A 81 1.480 11.848 4.893 1.00 31.11 H new ATOM 1348 N MET A 82 3.862 2.722 6.012 1.00 45.43 N ATOM 1349 CA MET A 82 3.482 1.339 6.294 1.00 72.35 C ATOM 1350 C MET A 82 4.691 0.409 6.306 1.00 33.11 C ATOM 1351 O MET A 82 4.896 -0.338 7.263 1.00 64.03 O ATOM 1352 CB MET A 82 2.460 0.849 5.268 1.00 15.11 C ATOM 1353 CG MET A 82 2.047 -0.603 5.464 1.00 34.25 C ATOM 1354 SD MET A 82 0.842 -1.158 4.241 1.00 32.45 S ATOM 1355 CE MET A 82 -0.546 -0.096 4.624 1.00 62.04 C ATOM 0 H MET A 82 3.474 3.094 5.145 1.00 45.43 H new ATOM 0 HA MET A 82 3.036 1.320 7.288 1.00 72.35 H new ATOM 0 HB2 MET A 82 1.573 1.480 5.321 1.00 15.11 H new ATOM 0 HB3 MET A 82 2.876 0.968 4.268 1.00 15.11 H new ATOM 0 HG2 MET A 82 2.931 -1.238 5.410 1.00 34.25 H new ATOM 0 HG3 MET A 82 1.627 -0.725 6.462 1.00 34.25 H new ATOM 0 HE1 MET A 82 -1.416 -0.413 4.050 1.00 62.04 H new ATOM 0 HE2 MET A 82 -0.771 -0.160 5.689 1.00 62.04 H new ATOM 0 HE3 MET A 82 -0.298 0.934 4.367 1.00 62.04 H new ATOM 1365 N PHE A 83 5.491 0.465 5.251 1.00 53.21 N ATOM 1366 CA PHE A 83 6.644 -0.417 5.123 1.00 40.04 C ATOM 1367 C PHE A 83 7.681 -0.114 6.193 1.00 2.43 C ATOM 1368 O PHE A 83 8.296 -1.023 6.744 1.00 34.25 O ATOM 1369 CB PHE A 83 7.269 -0.301 3.731 1.00 75.01 C ATOM 1370 CG PHE A 83 6.364 -0.762 2.625 1.00 0.23 C ATOM 1371 CD1 PHE A 83 5.632 -1.931 2.755 1.00 22.12 C ATOM 1372 CD2 PHE A 83 6.244 -0.026 1.457 1.00 53.12 C ATOM 1373 CE1 PHE A 83 4.798 -2.358 1.741 1.00 70.34 C ATOM 1374 CE2 PHE A 83 5.411 -0.449 0.439 1.00 32.22 C ATOM 1375 CZ PHE A 83 4.687 -1.617 0.582 1.00 3.34 C ATOM 0 H PHE A 83 5.364 1.111 4.472 1.00 53.21 H new ATOM 0 HA PHE A 83 6.296 -1.441 5.260 1.00 40.04 H new ATOM 0 HB2 PHE A 83 7.547 0.738 3.552 1.00 75.01 H new ATOM 0 HB3 PHE A 83 8.188 -0.886 3.705 1.00 75.01 H new ATOM 0 HD1 PHE A 83 5.715 -2.515 3.660 1.00 22.12 H new ATOM 0 HD2 PHE A 83 6.808 0.888 1.341 1.00 53.12 H new ATOM 0 HE1 PHE A 83 4.233 -3.271 1.855 1.00 70.34 H new ATOM 0 HE2 PHE A 83 5.326 0.133 -0.467 1.00 32.22 H new ATOM 0 HZ PHE A 83 4.035 -1.950 -0.212 1.00 3.34 H new ATOM 1385 N ASN A 84 7.856 1.164 6.505 1.00 34.33 N ATOM 1386 CA ASN A 84 8.808 1.568 7.534 1.00 15.23 C ATOM 1387 C ASN A 84 8.341 1.077 8.899 1.00 73.33 C ATOM 1388 O ASN A 84 9.148 0.669 9.735 1.00 42.42 O ATOM 1389 CB ASN A 84 8.985 3.090 7.539 1.00 64.31 C ATOM 1390 CG ASN A 84 10.095 3.543 8.472 1.00 14.41 C ATOM 1391 OD1 ASN A 84 11.268 3.559 8.093 1.00 43.21 O ATOM 1392 ND2 ASN A 84 9.736 3.943 9.684 1.00 43.24 N ATOM 0 H ASN A 84 7.355 1.935 6.064 1.00 34.33 H new ATOM 0 HA ASN A 84 9.775 1.116 7.312 1.00 15.23 H new ATOM 0 HB2 ASN A 84 9.204 3.431 6.527 1.00 64.31 H new ATOM 0 HB3 ASN A 84 8.048 3.561 7.838 1.00 64.31 H new ATOM 0 HD21 ASN A 84 10.441 4.279 10.340 1.00 43.24 H new ATOM 0 HD22 ASN A 84 8.755 3.915 9.961 1.00 43.24 H new ATOM 1399 N TYR A 85 7.028 1.093 9.107 1.00 14.15 N ATOM 1400 CA TYR A 85 6.434 0.589 10.341 1.00 10.03 C ATOM 1401 C TYR A 85 6.678 -0.913 10.467 1.00 10.32 C ATOM 1402 O TYR A 85 6.917 -1.429 11.564 1.00 34.21 O ATOM 1403 CB TYR A 85 4.930 0.888 10.363 1.00 2.05 C ATOM 1404 CG TYR A 85 4.235 0.500 11.653 1.00 23.22 C ATOM 1405 CD1 TYR A 85 4.315 1.310 12.781 1.00 34.14 C ATOM 1406 CD2 TYR A 85 3.495 -0.674 11.740 1.00 33.51 C ATOM 1407 CE1 TYR A 85 3.680 0.959 13.960 1.00 0.02 C ATOM 1408 CE2 TYR A 85 2.857 -1.031 12.914 1.00 33.43 C ATOM 1409 CZ TYR A 85 2.952 -0.211 14.020 1.00 72.31 C ATOM 1410 OH TYR A 85 2.319 -0.566 15.192 1.00 1.11 O ATOM 0 H TYR A 85 6.352 1.452 8.433 1.00 14.15 H new ATOM 0 HA TYR A 85 6.902 1.091 11.188 1.00 10.03 H new ATOM 0 HB2 TYR A 85 4.781 1.954 10.190 1.00 2.05 H new ATOM 0 HB3 TYR A 85 4.455 0.361 9.535 1.00 2.05 H new ATOM 0 HD1 TYR A 85 4.882 2.228 12.736 1.00 34.14 H new ATOM 0 HD2 TYR A 85 3.417 -1.318 10.876 1.00 33.51 H new ATOM 0 HE1 TYR A 85 3.754 1.598 14.828 1.00 0.02 H new ATOM 0 HE2 TYR A 85 2.287 -1.947 12.965 1.00 33.43 H new ATOM 0 HH TYR A 85 2.068 0.242 15.686 1.00 1.11 H new ATOM 1420 N ALA A 86 6.627 -1.607 9.335 1.00 73.41 N ATOM 1421 CA ALA A 86 6.889 -3.036 9.296 1.00 13.12 C ATOM 1422 C ALA A 86 8.355 -3.324 9.601 1.00 71.54 C ATOM 1423 O ALA A 86 8.679 -4.337 10.220 1.00 3.13 O ATOM 1424 CB ALA A 86 6.499 -3.612 7.941 1.00 32.32 C ATOM 0 H ALA A 86 6.405 -1.197 8.428 1.00 73.41 H new ATOM 0 HA ALA A 86 6.282 -3.517 10.063 1.00 13.12 H new ATOM 0 HB1 ALA A 86 6.702 -4.683 7.929 1.00 32.32 H new ATOM 0 HB2 ALA A 86 5.437 -3.442 7.765 1.00 32.32 H new ATOM 0 HB3 ALA A 86 7.079 -3.124 7.158 1.00 32.32 H new ATOM 1430 N ILE A 87 9.233 -2.419 9.174 1.00 4.12 N ATOM 1431 CA ILE A 87 10.661 -2.543 9.450 1.00 31.33 C ATOM 1432 C ILE A 87 10.931 -2.425 10.949 1.00 40.04 C ATOM 1433 O ILE A 87 11.786 -3.128 11.489 1.00 32.33 O ATOM 1434 CB ILE A 87 11.486 -1.473 8.692 1.00 50.20 C ATOM 1435 CG1 ILE A 87 11.295 -1.619 7.179 1.00 43.42 C ATOM 1436 CG2 ILE A 87 12.965 -1.579 9.052 1.00 51.33 C ATOM 1437 CD1 ILE A 87 12.005 -0.558 6.368 1.00 34.14 C ATOM 0 H ILE A 87 8.979 -1.591 8.635 1.00 4.12 H new ATOM 0 HA ILE A 87 10.972 -3.528 9.100 1.00 31.33 H new ATOM 0 HB ILE A 87 11.127 -0.489 8.994 1.00 50.20 H new ATOM 0 HG12 ILE A 87 11.655 -2.600 6.870 1.00 43.42 H new ATOM 0 HG13 ILE A 87 10.230 -1.584 6.952 1.00 43.42 H new ATOM 0 HG21 ILE A 87 13.527 -0.819 8.509 1.00 51.33 H new ATOM 0 HG22 ILE A 87 13.090 -1.427 10.124 1.00 51.33 H new ATOM 0 HG23 ILE A 87 13.336 -2.567 8.780 1.00 51.33 H new ATOM 0 HD11 ILE A 87 11.823 -0.728 5.307 1.00 34.14 H new ATOM 0 HD12 ILE A 87 11.629 0.426 6.647 1.00 34.14 H new ATOM 0 HD13 ILE A 87 13.076 -0.606 6.564 1.00 34.14 H new ATOM 1449 N LYS A 88 10.182 -1.550 11.616 1.00 30.54 N ATOM 1450 CA LYS A 88 10.333 -1.340 13.056 1.00 14.51 C ATOM 1451 C LYS A 88 10.016 -2.614 13.824 1.00 43.23 C ATOM 1452 O LYS A 88 10.776 -3.042 14.693 1.00 24.23 O ATOM 1453 CB LYS A 88 9.374 -0.259 13.525 1.00 73.33 C ATOM 1454 CG LYS A 88 9.503 1.052 12.782 1.00 53.50 C ATOM 1455 CD LYS A 88 8.292 1.917 13.042 1.00 21.41 C ATOM 1456 CE LYS A 88 8.102 2.163 14.528 1.00 62.22 C ATOM 1457 NZ LYS A 88 9.087 3.141 15.066 1.00 43.13 N ATOM 0 H LYS A 88 9.462 -0.973 11.182 1.00 30.54 H new ATOM 0 HA LYS A 88 11.365 -1.045 13.243 1.00 14.51 H new ATOM 0 HB2 LYS A 88 8.353 -0.625 13.419 1.00 73.33 H new ATOM 0 HB3 LYS A 88 9.539 -0.079 14.587 1.00 73.33 H new ATOM 0 HG2 LYS A 88 10.406 1.572 13.101 1.00 53.50 H new ATOM 0 HG3 LYS A 88 9.603 0.865 11.713 1.00 53.50 H new ATOM 0 HD2 LYS A 88 8.404 2.870 12.524 1.00 21.41 H new ATOM 0 HD3 LYS A 88 7.403 1.435 12.634 1.00 21.41 H new ATOM 0 HE2 LYS A 88 7.092 2.531 14.707 1.00 62.22 H new ATOM 0 HE3 LYS A 88 8.198 1.220 15.066 1.00 62.22 H new ATOM 0 HZ1 LYS A 88 8.920 3.278 16.083 1.00 43.13 H new ATOM 0 HZ2 LYS A 88 10.051 2.779 14.919 1.00 43.13 H new ATOM 0 HZ3 LYS A 88 8.979 4.050 14.572 1.00 43.13 H new ATOM 1471 N ARG A 89 8.874 -3.204 13.497 1.00 52.14 N ATOM 1472 CA ARG A 89 8.482 -4.495 14.070 1.00 31.51 C ATOM 1473 C ARG A 89 9.347 -5.633 13.520 1.00 51.24 C ATOM 1474 O ARG A 89 9.246 -6.775 13.970 1.00 60.11 O ATOM 1475 CB ARG A 89 7.009 -4.801 13.784 1.00 41.22 C ATOM 1476 CG ARG A 89 6.033 -3.857 14.467 1.00 71.01 C ATOM 1477 CD ARG A 89 4.602 -4.339 14.295 1.00 41.40 C ATOM 1478 NE ARG A 89 3.640 -3.495 15.002 1.00 31.12 N ATOM 1479 CZ ARG A 89 2.672 -3.966 15.784 1.00 11.20 C ATOM 1480 NH1 ARG A 89 2.553 -5.276 15.978 1.00 21.23 N ATOM 1481 NH2 ARG A 89 1.826 -3.129 16.367 1.00 73.01 N ATOM 0 H ARG A 89 8.200 -2.813 12.839 1.00 52.14 H new ATOM 0 HA ARG A 89 8.631 -4.424 15.147 1.00 31.51 H new ATOM 0 HB2 ARG A 89 6.843 -4.760 12.707 1.00 41.22 H new ATOM 0 HB3 ARG A 89 6.793 -5.821 14.101 1.00 41.22 H new ATOM 0 HG2 ARG A 89 6.272 -3.786 15.528 1.00 71.01 H new ATOM 0 HG3 ARG A 89 6.136 -2.856 14.049 1.00 71.01 H new ATOM 0 HD2 ARG A 89 4.353 -4.358 13.234 1.00 41.40 H new ATOM 0 HD3 ARG A 89 4.520 -5.363 14.660 1.00 41.40 H new ATOM 0 HE ARG A 89 3.715 -2.484 14.889 1.00 31.12 H new ATOM 0 HH11 ARG A 89 3.204 -5.919 15.527 1.00 21.23 H new ATOM 0 HH12 ARG A 89 1.811 -5.637 16.577 1.00 21.23 H new ATOM 0 HH21 ARG A 89 1.917 -2.124 16.216 1.00 73.01 H new ATOM 0 HH22 ARG A 89 1.084 -3.489 16.967 1.00 73.01 H new ATOM 1495 N HIS A 90 10.184 -5.302 12.542 1.00 52.42 N ATOM 1496 CA HIS A 90 11.049 -6.268 11.865 1.00 52.43 C ATOM 1497 C HIS A 90 10.225 -7.390 11.234 1.00 12.52 C ATOM 1498 O HIS A 90 10.547 -8.572 11.353 1.00 63.05 O ATOM 1499 CB HIS A 90 12.118 -6.831 12.818 1.00 14.24 C ATOM 1500 CG HIS A 90 13.143 -7.682 12.117 1.00 22.22 C ATOM 1501 ND1 HIS A 90 13.599 -8.880 12.616 1.00 35.01 N ATOM 1502 CD2 HIS A 90 13.769 -7.510 10.930 1.00 61.51 C ATOM 1503 CE1 HIS A 90 14.455 -9.411 11.764 1.00 75.53 C ATOM 1504 NE2 HIS A 90 14.576 -8.601 10.731 1.00 33.14 N ATOM 0 H HIS A 90 10.284 -4.349 12.193 1.00 52.42 H new ATOM 0 HA HIS A 90 11.570 -5.742 11.065 1.00 52.43 H new ATOM 0 HB2 HIS A 90 12.622 -6.004 13.319 1.00 14.24 H new ATOM 0 HB3 HIS A 90 11.631 -7.423 13.592 1.00 14.24 H new ATOM 0 HD2 HIS A 90 13.654 -6.669 10.262 1.00 61.51 H new ATOM 0 HE1 HIS A 90 14.970 -10.352 11.891 1.00 75.53 H new ATOM 0 HE2 HIS A 90 15.171 -8.759 9.918 1.00 33.14 H new ATOM 1513 N ILE A 91 9.153 -7.008 10.563 1.00 23.25 N ATOM 1514 CA ILE A 91 8.408 -7.945 9.743 1.00 75.31 C ATOM 1515 C ILE A 91 9.197 -8.178 8.465 1.00 34.23 C ATOM 1516 O ILE A 91 9.511 -9.309 8.100 1.00 51.52 O ATOM 1517 CB ILE A 91 6.999 -7.413 9.403 1.00 63.21 C ATOM 1518 CG1 ILE A 91 6.242 -7.071 10.689 1.00 72.45 C ATOM 1519 CG2 ILE A 91 6.228 -8.441 8.585 1.00 3.10 C ATOM 1520 CD1 ILE A 91 4.871 -6.471 10.455 1.00 64.34 C ATOM 0 H ILE A 91 8.780 -6.059 10.570 1.00 23.25 H new ATOM 0 HA ILE A 91 8.275 -8.876 10.294 1.00 75.31 H new ATOM 0 HB ILE A 91 7.099 -6.506 8.807 1.00 63.21 H new ATOM 0 HG12 ILE A 91 6.134 -7.976 11.287 1.00 72.45 H new ATOM 0 HG13 ILE A 91 6.838 -6.371 11.275 1.00 72.45 H new ATOM 0 HG21 ILE A 91 5.237 -8.052 8.353 1.00 3.10 H new ATOM 0 HG22 ILE A 91 6.764 -8.645 7.658 1.00 3.10 H new ATOM 0 HG23 ILE A 91 6.131 -9.363 9.158 1.00 3.10 H new ATOM 0 HD11 ILE A 91 4.399 -6.257 11.414 1.00 64.34 H new ATOM 0 HD12 ILE A 91 4.971 -5.547 9.885 1.00 64.34 H new ATOM 0 HD13 ILE A 91 4.255 -7.177 9.897 1.00 64.34 H new ATOM 1532 N ILE A 92 9.540 -7.076 7.816 1.00 74.33 N ATOM 1533 CA ILE A 92 10.442 -7.087 6.681 1.00 52.21 C ATOM 1534 C ILE A 92 11.454 -5.958 6.834 1.00 22.35 C ATOM 1535 O ILE A 92 11.099 -4.853 7.229 1.00 43.02 O ATOM 1536 CB ILE A 92 9.699 -6.931 5.331 1.00 65.40 C ATOM 1537 CG1 ILE A 92 8.772 -5.706 5.358 1.00 53.34 C ATOM 1538 CG2 ILE A 92 8.917 -8.197 5.008 1.00 1.32 C ATOM 1539 CD1 ILE A 92 8.087 -5.426 4.037 1.00 62.25 C ATOM 0 H ILE A 92 9.198 -6.148 8.064 1.00 74.33 H new ATOM 0 HA ILE A 92 10.941 -8.056 6.668 1.00 52.21 H new ATOM 0 HB ILE A 92 10.438 -6.775 4.545 1.00 65.40 H new ATOM 0 HG12 ILE A 92 8.013 -5.854 6.126 1.00 53.34 H new ATOM 0 HG13 ILE A 92 9.352 -4.830 5.648 1.00 53.34 H new ATOM 0 HG21 ILE A 92 8.400 -8.073 4.057 1.00 1.32 H new ATOM 0 HG22 ILE A 92 9.603 -9.041 4.940 1.00 1.32 H new ATOM 0 HG23 ILE A 92 8.187 -8.385 5.796 1.00 1.32 H new ATOM 0 HD11 ILE A 92 7.450 -4.547 4.136 1.00 62.25 H new ATOM 0 HD12 ILE A 92 8.839 -5.245 3.269 1.00 62.25 H new ATOM 0 HD13 ILE A 92 7.478 -6.285 3.754 1.00 62.25 H new ATOM 1551 N GLU A 93 12.712 -6.248 6.565 1.00 65.21 N ATOM 1552 CA GLU A 93 13.761 -5.240 6.657 1.00 5.01 C ATOM 1553 C GLU A 93 13.994 -4.570 5.306 1.00 64.13 C ATOM 1554 O GLU A 93 15.038 -3.964 5.071 1.00 31.42 O ATOM 1555 CB GLU A 93 15.067 -5.854 7.181 1.00 63.34 C ATOM 1556 CG GLU A 93 15.453 -7.177 6.529 1.00 52.32 C ATOM 1557 CD GLU A 93 14.783 -8.372 7.184 1.00 22.00 C ATOM 1558 OE1 GLU A 93 15.353 -8.910 8.158 1.00 20.50 O ATOM 1559 OE2 GLU A 93 13.685 -8.769 6.738 1.00 22.42 O ATOM 0 H GLU A 93 13.037 -7.172 6.281 1.00 65.21 H new ATOM 0 HA GLU A 93 13.430 -4.480 7.365 1.00 5.01 H new ATOM 0 HB2 GLU A 93 15.876 -5.139 7.029 1.00 63.34 H new ATOM 0 HB3 GLU A 93 14.975 -6.007 8.256 1.00 63.34 H new ATOM 0 HG2 GLU A 93 15.184 -7.149 5.473 1.00 52.32 H new ATOM 0 HG3 GLU A 93 16.535 -7.300 6.579 1.00 52.32 H new ATOM 1566 N TYR A 94 13.005 -4.664 4.430 1.00 2.34 N ATOM 1567 CA TYR A 94 13.105 -4.081 3.103 1.00 12.42 C ATOM 1568 C TYR A 94 11.956 -3.111 2.856 1.00 43.01 C ATOM 1569 O TYR A 94 10.831 -3.349 3.291 1.00 22.25 O ATOM 1570 CB TYR A 94 13.102 -5.178 2.034 1.00 35.41 C ATOM 1571 CG TYR A 94 14.289 -6.111 2.117 1.00 73.32 C ATOM 1572 CD1 TYR A 94 15.537 -5.713 1.659 1.00 43.33 C ATOM 1573 CD2 TYR A 94 14.160 -7.389 2.646 1.00 30.52 C ATOM 1574 CE1 TYR A 94 16.625 -6.559 1.727 1.00 54.23 C ATOM 1575 CE2 TYR A 94 15.245 -8.242 2.718 1.00 12.44 C ATOM 1576 CZ TYR A 94 16.476 -7.822 2.257 1.00 64.11 C ATOM 1577 OH TYR A 94 17.560 -8.667 2.326 1.00 72.22 O ATOM 0 H TYR A 94 12.122 -5.140 4.616 1.00 2.34 H new ATOM 0 HA TYR A 94 14.045 -3.533 3.042 1.00 12.42 H new ATOM 0 HB2 TYR A 94 12.186 -5.761 2.127 1.00 35.41 H new ATOM 0 HB3 TYR A 94 13.085 -4.713 1.048 1.00 35.41 H new ATOM 0 HD1 TYR A 94 15.659 -4.724 1.242 1.00 43.33 H new ATOM 0 HD2 TYR A 94 13.198 -7.721 3.006 1.00 30.52 H new ATOM 0 HE1 TYR A 94 17.589 -6.233 1.366 1.00 54.23 H new ATOM 0 HE2 TYR A 94 15.130 -9.232 3.133 1.00 12.44 H new ATOM 0 HH TYR A 94 17.286 -9.518 2.726 1.00 72.22 H new ATOM 1587 N ASN A 95 12.255 -2.012 2.178 1.00 22.03 N ATOM 1588 CA ASN A 95 11.253 -1.033 1.804 1.00 41.21 C ATOM 1589 C ASN A 95 11.015 -1.109 0.297 1.00 40.52 C ATOM 1590 O ASN A 95 11.682 -0.425 -0.483 1.00 2.52 O ATOM 1591 CB ASN A 95 11.708 0.365 2.225 1.00 52.44 C ATOM 1592 CG ASN A 95 10.698 1.441 1.890 1.00 61.14 C ATOM 1593 OD1 ASN A 95 9.792 1.725 2.670 1.00 50.12 O ATOM 1594 ND2 ASN A 95 10.861 2.058 0.735 1.00 43.54 N ATOM 0 H ASN A 95 13.200 -1.777 1.873 1.00 22.03 H new ATOM 0 HA ASN A 95 10.314 -1.246 2.315 1.00 41.21 H new ATOM 0 HB2 ASN A 95 11.896 0.372 3.299 1.00 52.44 H new ATOM 0 HB3 ASN A 95 12.654 0.596 1.735 1.00 52.44 H new ATOM 0 HD21 ASN A 95 10.221 2.803 0.460 1.00 43.54 H new ATOM 0 HD22 ASN A 95 11.627 1.790 0.117 1.00 43.54 H new ATOM 1601 N PRO A 96 10.089 -1.984 -0.133 1.00 22.14 N ATOM 1602 CA PRO A 96 9.874 -2.312 -1.552 1.00 61.03 C ATOM 1603 C PRO A 96 9.519 -1.106 -2.420 1.00 53.31 C ATOM 1604 O PRO A 96 9.754 -1.113 -3.628 1.00 13.14 O ATOM 1605 CB PRO A 96 8.702 -3.299 -1.526 1.00 4.03 C ATOM 1606 CG PRO A 96 8.058 -3.107 -0.198 1.00 30.21 C ATOM 1607 CD PRO A 96 9.164 -2.727 0.738 1.00 5.11 C ATOM 0 HA PRO A 96 10.788 -2.707 -1.995 1.00 61.03 H new ATOM 0 HB2 PRO A 96 8.001 -3.099 -2.336 1.00 4.03 H new ATOM 0 HB3 PRO A 96 9.049 -4.325 -1.651 1.00 4.03 H new ATOM 0 HG2 PRO A 96 7.297 -2.328 -0.241 1.00 30.21 H new ATOM 0 HG3 PRO A 96 7.562 -4.020 0.132 1.00 30.21 H new ATOM 0 HD2 PRO A 96 8.803 -2.112 1.562 1.00 5.11 H new ATOM 0 HD3 PRO A 96 9.640 -3.603 1.179 1.00 5.11 H new ATOM 1615 N ALA A 97 8.977 -0.064 -1.805 1.00 10.30 N ATOM 1616 CA ALA A 97 8.561 1.121 -2.547 1.00 3.04 C ATOM 1617 C ALA A 97 9.767 1.926 -3.028 1.00 24.12 C ATOM 1618 O ALA A 97 9.630 2.834 -3.849 1.00 14.02 O ATOM 1619 CB ALA A 97 7.649 1.985 -1.690 1.00 2.35 C ATOM 0 H ALA A 97 8.815 -0.014 -0.799 1.00 10.30 H new ATOM 0 HA ALA A 97 8.009 0.792 -3.427 1.00 3.04 H new ATOM 0 HB1 ALA A 97 7.346 2.866 -2.255 1.00 2.35 H new ATOM 0 HB2 ALA A 97 6.765 1.413 -1.408 1.00 2.35 H new ATOM 0 HB3 ALA A 97 8.182 2.296 -0.791 1.00 2.35 H new ATOM 1625 N ALA A 98 10.951 1.560 -2.542 1.00 4.44 N ATOM 1626 CA ALA A 98 12.180 2.277 -2.871 1.00 34.11 C ATOM 1627 C ALA A 98 12.635 2.008 -4.305 1.00 54.30 C ATOM 1628 O ALA A 98 13.600 2.607 -4.775 1.00 11.13 O ATOM 1629 CB ALA A 98 13.283 1.905 -1.892 1.00 74.41 C ATOM 0 H ALA A 98 11.085 0.766 -1.915 1.00 4.44 H new ATOM 0 HA ALA A 98 11.968 3.343 -2.790 1.00 34.11 H new ATOM 0 HB1 ALA A 98 14.194 2.446 -2.148 1.00 74.41 H new ATOM 0 HB2 ALA A 98 12.976 2.169 -0.880 1.00 74.41 H new ATOM 0 HB3 ALA A 98 13.471 0.833 -1.946 1.00 74.41 H new ATOM 1635 N ALA A 99 11.952 1.098 -4.990 1.00 72.30 N ATOM 1636 CA ALA A 99 12.277 0.796 -6.379 1.00 64.24 C ATOM 1637 C ALA A 99 11.678 1.839 -7.308 1.00 40.10 C ATOM 1638 O ALA A 99 12.305 2.254 -8.282 1.00 22.23 O ATOM 1639 CB ALA A 99 11.778 -0.586 -6.756 1.00 24.30 C ATOM 0 H ALA A 99 11.174 0.559 -4.609 1.00 72.30 H new ATOM 0 HA ALA A 99 13.362 0.816 -6.485 1.00 64.24 H new ATOM 0 HB1 ALA A 99 12.030 -0.793 -7.796 1.00 24.30 H new ATOM 0 HB2 ALA A 99 12.249 -1.330 -6.114 1.00 24.30 H new ATOM 0 HB3 ALA A 99 10.696 -0.629 -6.629 1.00 24.30 H new ATOM 1645 N PHE A 100 10.461 2.263 -6.996 1.00 74.24 N ATOM 1646 CA PHE A 100 9.803 3.299 -7.770 1.00 11.13 C ATOM 1647 C PHE A 100 10.316 4.655 -7.313 1.00 32.52 C ATOM 1648 O PHE A 100 10.786 5.462 -8.116 1.00 62.35 O ATOM 1649 CB PHE A 100 8.282 3.211 -7.598 1.00 74.44 C ATOM 1650 CG PHE A 100 7.510 4.128 -8.510 1.00 74.14 C ATOM 1651 CD1 PHE A 100 7.117 3.698 -9.766 1.00 21.23 C ATOM 1652 CD2 PHE A 100 7.172 5.413 -8.108 1.00 71.35 C ATOM 1653 CE1 PHE A 100 6.401 4.530 -10.606 1.00 72.02 C ATOM 1654 CE2 PHE A 100 6.458 6.250 -8.945 1.00 11.25 C ATOM 1655 CZ PHE A 100 6.073 5.808 -10.194 1.00 72.24 C ATOM 0 H PHE A 100 9.913 1.905 -6.214 1.00 74.24 H new ATOM 0 HA PHE A 100 10.028 3.164 -8.828 1.00 11.13 H new ATOM 0 HB2 PHE A 100 7.965 2.184 -7.778 1.00 74.44 H new ATOM 0 HB3 PHE A 100 8.029 3.446 -6.564 1.00 74.44 H new ATOM 0 HD1 PHE A 100 7.373 2.701 -10.093 1.00 21.23 H new ATOM 0 HD2 PHE A 100 7.470 5.763 -7.131 1.00 71.35 H new ATOM 0 HE1 PHE A 100 6.098 4.182 -11.583 1.00 72.02 H new ATOM 0 HE2 PHE A 100 6.202 7.248 -8.622 1.00 11.25 H new ATOM 0 HZ PHE A 100 5.515 6.460 -10.850 1.00 72.24 H new