USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 664 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 23 THR OG1 : rot 180:sc=-0.00455 USER MOD Set 1.2: A 24 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 8 THR OG1 : rot 130:sc= 0.222 USER MOD Set 2.2: A 73 ASN : amide:sc= 0.428 K(o=1.3,f=0.029) USER MOD Set 2.3: A 92 THR OG1 : rot 139:sc= 0.617 USER MOD Single : A 6 HIS : no HE2:sc= -0.348 K(o=-0.35,f=-1.1) USER MOD Single : A 10 GLN : amide:sc= -8.03! C(o=-8!,f=-11!) USER MOD Single : A 15 CYS SG : rot -110:sc= -1.27 USER MOD Single : A 21 LYS NZ :NH3+ -164:sc=-0.00411 (180deg=-0.141) USER MOD Single : A 22 GLN : amide:sc= -0.0889 K(o=-0.089,f=-1.7) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0.0029) USER MOD Single : A 35 THR OG1 : rot 25:sc= 0.169 USER MOD Single : A 36 ASN : amide:sc= 0.0452 K(o=0.045,f=-6.2!) USER MOD Single : A 38 ASN : amide:sc= -0.614 K(o=-0.61,f=-2.7) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 149:sc= 0 (180deg=-1.21) USER MOD Single : A 46 THR OG1 : rot -120:sc= -1.01 USER MOD Single : A 47 ASN : amide:sc= -0.164 K(o=-0.16,f=-0.89) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 159:sc= 1.21 (180deg=1.1) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.0245 X(o=-0.024,f=0) USER MOD Single : A 63 THR OG1 : rot 39:sc= 0.274 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.0834 X(o=-0.083,f=-0.33) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot -65:sc= 0.834 USER MOD ----------------------------------------------------------------- ATOM 77 N HIS A 6 -4.747 13.998 -4.268 1.00 0.00 N ATOM 78 CA HIS A 6 -5.346 12.674 -4.433 1.00 0.00 C ATOM 79 C HIS A 6 -4.280 11.578 -4.481 1.00 0.00 C ATOM 80 O HIS A 6 -3.369 11.619 -5.312 1.00 0.00 O ATOM 81 CB HIS A 6 -6.196 12.638 -5.712 1.00 0.00 C ATOM 82 CG HIS A 6 -5.442 12.995 -6.960 1.00 0.00 C ATOM 83 ND1 HIS A 6 -4.888 14.240 -7.181 1.00 0.00 N ATOM 84 CD2 HIS A 6 -5.148 12.256 -8.056 1.00 0.00 C ATOM 85 CE1 HIS A 6 -4.288 14.250 -8.358 1.00 0.00 C ATOM 86 NE2 HIS A 6 -4.432 13.059 -8.908 1.00 0.00 N ATOM 0 HA HIS A 6 -5.982 12.484 -3.569 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.616 11.639 -5.828 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -7.034 13.325 -5.598 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -4.935 15.029 -6.536 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -5.425 11.226 -8.228 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -3.768 15.090 -8.795 1.00 0.00 H new ATOM 95 N ILE A 7 -4.407 10.591 -3.591 1.00 0.00 N ATOM 96 CA ILE A 7 -3.463 9.476 -3.541 1.00 0.00 C ATOM 97 C ILE A 7 -3.995 8.283 -4.331 1.00 0.00 C ATOM 98 O ILE A 7 -5.180 7.955 -4.255 1.00 0.00 O ATOM 99 CB ILE A 7 -3.175 9.035 -2.088 1.00 0.00 C ATOM 100 CG1 ILE A 7 -2.719 10.233 -1.252 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.127 7.927 -2.057 1.00 0.00 C ATOM 102 CD1 ILE A 7 -1.394 10.819 -1.689 1.00 0.00 C ATOM 0 H ILE A 7 -5.153 10.543 -2.897 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.533 9.826 -3.988 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.096 8.641 -1.657 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.482 11.010 -1.302 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.643 9.927 -0.209 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.940 7.632 -1.025 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.490 7.067 -2.620 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.201 8.289 -2.504 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.140 11.663 -1.048 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.617 10.059 -1.612 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.469 11.158 -2.722 1.00 0.00 H new ATOM 114 N THR A 8 -3.113 7.641 -5.088 1.00 0.00 N ATOM 115 CA THR A 8 -3.493 6.486 -5.899 1.00 0.00 C ATOM 116 C THR A 8 -3.187 5.176 -5.173 1.00 0.00 C ATOM 117 O THR A 8 -2.052 4.699 -5.190 1.00 0.00 O ATOM 118 CB THR A 8 -2.766 6.512 -7.250 1.00 0.00 C ATOM 119 OG1 THR A 8 -2.640 7.841 -7.732 1.00 0.00 O ATOM 120 CG2 THR A 8 -3.462 5.695 -8.322 1.00 0.00 C ATOM 0 H THR A 8 -2.129 7.899 -5.158 1.00 0.00 H new ATOM 0 HA THR A 8 -4.568 6.543 -6.071 1.00 0.00 H new ATOM 0 HB THR A 8 -1.788 6.071 -7.058 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.709 8.010 -7.987 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.896 5.756 -9.251 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.525 4.655 -8.003 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.467 6.086 -8.483 1.00 0.00 H new ATOM 128 N VAL A 9 -4.211 4.589 -4.553 1.00 0.00 N ATOM 129 CA VAL A 9 -4.050 3.322 -3.840 1.00 0.00 C ATOM 130 C VAL A 9 -5.003 2.265 -4.401 1.00 0.00 C ATOM 131 O VAL A 9 -6.218 2.342 -4.209 1.00 0.00 O ATOM 132 CB VAL A 9 -4.276 3.483 -2.318 1.00 0.00 C ATOM 133 CG1 VAL A 9 -5.675 4.004 -2.017 1.00 0.00 C ATOM 134 CG2 VAL A 9 -4.017 2.168 -1.592 1.00 0.00 C ATOM 0 H VAL A 9 -5.157 4.969 -4.530 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.021 2.995 -3.992 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.563 4.222 -1.952 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.801 4.106 -0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.811 4.976 -2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.415 3.304 -2.404 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.182 2.304 -0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.697 1.404 -1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.987 1.854 -1.763 1.00 0.00 H new ATOM 144 N GLN A 10 -4.445 1.286 -5.108 1.00 0.00 N ATOM 145 CA GLN A 10 -5.246 0.223 -5.713 1.00 0.00 C ATOM 146 C GLN A 10 -4.616 -1.150 -5.482 1.00 0.00 C ATOM 147 O GLN A 10 -3.417 -1.259 -5.216 1.00 0.00 O ATOM 148 CB GLN A 10 -5.424 0.475 -7.216 1.00 0.00 C ATOM 149 CG GLN A 10 -4.177 1.001 -7.915 1.00 0.00 C ATOM 150 CD GLN A 10 -3.900 2.456 -7.601 1.00 0.00 C ATOM 151 OE1 GLN A 10 -4.775 3.308 -7.740 1.00 0.00 O ATOM 152 NE2 GLN A 10 -2.679 2.740 -7.163 1.00 0.00 N ATOM 0 H GLN A 10 -3.442 1.206 -5.277 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.224 0.231 -5.232 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.730 -0.455 -7.695 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.235 1.189 -7.359 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.318 0.400 -7.618 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.292 0.882 -8.992 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.987 1.997 -7.064 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.433 3.701 -6.925 1.00 0.00 H new ATOM 161 N PHE A 11 -5.437 -2.196 -5.590 1.00 0.00 N ATOM 162 CA PHE A 11 -4.970 -3.565 -5.393 1.00 0.00 C ATOM 163 C PHE A 11 -5.336 -4.447 -6.582 1.00 0.00 C ATOM 164 O PHE A 11 -6.389 -4.274 -7.199 1.00 0.00 O ATOM 165 CB PHE A 11 -5.567 -4.159 -4.114 1.00 0.00 C ATOM 166 CG PHE A 11 -5.446 -3.259 -2.916 1.00 0.00 C ATOM 167 CD1 PHE A 11 -4.301 -3.270 -2.134 1.00 0.00 C ATOM 168 CD2 PHE A 11 -6.477 -2.398 -2.575 1.00 0.00 C ATOM 169 CE1 PHE A 11 -4.188 -2.441 -1.035 1.00 0.00 C ATOM 170 CE2 PHE A 11 -6.369 -1.565 -1.476 1.00 0.00 C ATOM 171 CZ PHE A 11 -5.223 -1.587 -0.705 1.00 0.00 C ATOM 0 H PHE A 11 -6.429 -2.119 -5.813 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.884 -3.532 -5.302 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.620 -4.382 -4.285 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.072 -5.106 -3.898 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.488 -3.934 -2.387 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.375 -2.377 -3.174 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -3.291 -2.460 -0.434 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -7.180 -0.898 -1.221 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.136 -0.938 0.154 1.00 0.00 H new ATOM 181 N ALA A 12 -4.458 -5.396 -6.894 1.00 0.00 N ATOM 182 CA ALA A 12 -4.678 -6.318 -8.005 1.00 0.00 C ATOM 183 C ALA A 12 -5.364 -7.600 -7.535 1.00 0.00 C ATOM 184 O ALA A 12 -5.657 -7.758 -6.347 1.00 0.00 O ATOM 185 CB ALA A 12 -3.356 -6.647 -8.686 1.00 0.00 C ATOM 0 H ALA A 12 -3.584 -5.547 -6.391 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.336 -5.828 -8.723 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.534 -7.335 -9.512 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.905 -5.731 -9.067 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.682 -7.111 -7.966 1.00 0.00 H new ATOM 191 N GLY A 13 -5.612 -8.513 -8.477 1.00 0.00 N ATOM 192 CA GLY A 13 -6.254 -9.776 -8.153 1.00 0.00 C ATOM 193 C GLY A 13 -5.454 -10.599 -7.162 1.00 0.00 C ATOM 194 O GLY A 13 -4.513 -11.297 -7.546 1.00 0.00 O ATOM 0 H GLY A 13 -5.377 -8.397 -9.463 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.244 -9.581 -7.742 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -6.396 -10.352 -9.067 1.00 0.00 H new ATOM 198 N GLY A 14 -5.821 -10.511 -5.884 1.00 0.00 N ATOM 199 CA GLY A 14 -5.118 -11.251 -4.851 1.00 0.00 C ATOM 200 C GLY A 14 -4.824 -10.410 -3.621 1.00 0.00 C ATOM 201 O GLY A 14 -4.958 -10.886 -2.493 1.00 0.00 O ATOM 0 H GLY A 14 -6.595 -9.938 -5.547 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.715 -12.116 -4.560 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.181 -11.632 -5.257 1.00 0.00 H new ATOM 205 N CYS A 15 -4.424 -9.155 -3.839 1.00 0.00 N ATOM 206 CA CYS A 15 -4.111 -8.245 -2.736 1.00 0.00 C ATOM 207 C CYS A 15 -5.329 -7.407 -2.340 1.00 0.00 C ATOM 208 O CYS A 15 -5.414 -6.925 -1.210 1.00 0.00 O ATOM 209 CB CYS A 15 -2.946 -7.327 -3.117 1.00 0.00 C ATOM 210 SG CYS A 15 -1.548 -7.391 -1.969 1.00 0.00 S ATOM 0 H CYS A 15 -4.310 -8.747 -4.767 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.824 -8.852 -1.877 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -2.596 -7.596 -4.114 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -3.309 -6.301 -3.173 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.476 -6.272 -1.311 1.00 0.00 H new ATOM 216 N GLU A 16 -6.267 -7.231 -3.274 1.00 0.00 N ATOM 217 CA GLU A 16 -7.478 -6.447 -3.015 1.00 0.00 C ATOM 218 C GLU A 16 -8.278 -7.014 -1.840 1.00 0.00 C ATOM 219 O GLU A 16 -9.000 -6.281 -1.161 1.00 0.00 O ATOM 220 CB GLU A 16 -8.352 -6.392 -4.271 1.00 0.00 C ATOM 221 CG GLU A 16 -8.836 -7.757 -4.749 1.00 0.00 C ATOM 222 CD GLU A 16 -8.997 -7.850 -6.258 1.00 0.00 C ATOM 223 OE1 GLU A 16 -8.865 -6.813 -6.945 1.00 0.00 O ATOM 224 OE2 GLU A 16 -9.257 -8.965 -6.755 1.00 0.00 O ATOM 0 H GLU A 16 -6.212 -7.620 -4.215 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.167 -5.437 -2.749 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.218 -5.760 -4.072 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.788 -5.916 -5.073 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.130 -8.520 -4.419 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.792 -7.981 -4.275 1.00 0.00 H new ATOM 231 N LEU A 17 -8.143 -8.318 -1.599 1.00 0.00 N ATOM 232 CA LEU A 17 -8.853 -8.973 -0.502 1.00 0.00 C ATOM 233 C LEU A 17 -8.333 -8.522 0.871 1.00 0.00 C ATOM 234 O LEU A 17 -8.926 -8.856 1.897 1.00 0.00 O ATOM 235 CB LEU A 17 -8.737 -10.495 -0.628 1.00 0.00 C ATOM 236 CG LEU A 17 -9.599 -11.125 -1.726 1.00 0.00 C ATOM 237 CD1 LEU A 17 -8.779 -11.356 -2.989 1.00 0.00 C ATOM 238 CD2 LEU A 17 -10.209 -12.432 -1.238 1.00 0.00 C ATOM 0 H LEU A 17 -7.550 -8.940 -2.148 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.900 -8.680 -0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.694 -10.750 -0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.008 -10.945 0.327 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.407 -10.434 -1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.411 -11.804 -3.756 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.390 -10.404 -3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.948 -12.026 -2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.819 -12.867 -2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.413 -13.127 -0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.832 -12.239 -0.365 1.00 0.00 H new ATOM 250 N LEU A 18 -7.229 -7.762 0.895 1.00 0.00 N ATOM 251 CA LEU A 18 -6.656 -7.279 2.154 1.00 0.00 C ATOM 252 C LEU A 18 -7.347 -6.001 2.659 1.00 0.00 C ATOM 253 O LEU A 18 -6.836 -5.335 3.561 1.00 0.00 O ATOM 254 CB LEU A 18 -5.153 -7.023 1.993 1.00 0.00 C ATOM 255 CG LEU A 18 -4.262 -8.265 2.089 1.00 0.00 C ATOM 256 CD1 LEU A 18 -2.809 -7.901 1.817 1.00 0.00 C ATOM 257 CD2 LEU A 18 -4.400 -8.919 3.458 1.00 0.00 C ATOM 0 H LEU A 18 -6.719 -7.471 0.061 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.820 -8.060 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.984 -6.549 1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.839 -6.311 2.756 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.587 -8.979 1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.190 -8.795 1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.721 -7.479 0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.474 -7.168 2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.759 -9.800 3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.103 -8.211 4.231 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.437 -9.215 3.617 1.00 0.00 H new ATOM 269 N PHE A 19 -8.506 -5.660 2.085 1.00 0.00 N ATOM 270 CA PHE A 19 -9.246 -4.467 2.498 1.00 0.00 C ATOM 271 C PHE A 19 -10.743 -4.690 2.328 1.00 0.00 C ATOM 272 O PHE A 19 -11.505 -4.609 3.292 1.00 0.00 O ATOM 273 CB PHE A 19 -8.794 -3.246 1.687 1.00 0.00 C ATOM 274 CG PHE A 19 -9.129 -1.925 2.330 1.00 0.00 C ATOM 275 CD1 PHE A 19 -10.449 -1.535 2.508 1.00 0.00 C ATOM 276 CD2 PHE A 19 -8.121 -1.072 2.749 1.00 0.00 C ATOM 277 CE1 PHE A 19 -10.753 -0.320 3.093 1.00 0.00 C ATOM 278 CE2 PHE A 19 -8.420 0.144 3.335 1.00 0.00 C ATOM 279 CZ PHE A 19 -9.738 0.520 3.508 1.00 0.00 C ATOM 0 H PHE A 19 -8.949 -6.192 1.336 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.038 -4.278 3.551 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.716 -3.302 1.536 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.257 -3.286 0.701 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -11.247 -2.188 2.186 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.089 -1.361 2.616 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.784 -0.027 3.226 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -7.624 0.799 3.657 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.974 1.469 3.967 1.00 0.00 H new ATOM 289 N ALA A 20 -11.153 -4.977 1.094 1.00 0.00 N ATOM 290 CA ALA A 20 -12.559 -5.224 0.780 1.00 0.00 C ATOM 291 C ALA A 20 -12.741 -5.561 -0.701 1.00 0.00 C ATOM 292 O ALA A 20 -13.730 -5.164 -1.320 1.00 0.00 O ATOM 293 CB ALA A 20 -13.402 -4.013 1.161 1.00 0.00 C ATOM 0 H ALA A 20 -10.527 -5.044 0.291 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.894 -6.083 1.362 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.448 -4.208 0.923 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -13.303 -3.822 2.230 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.059 -3.141 0.604 1.00 0.00 H new ATOM 299 N LYS A 21 -11.772 -6.292 -1.267 1.00 0.00 N ATOM 300 CA LYS A 21 -11.812 -6.675 -2.678 1.00 0.00 C ATOM 301 C LYS A 21 -12.077 -5.454 -3.565 1.00 0.00 C ATOM 302 O LYS A 21 -12.749 -5.552 -4.596 1.00 0.00 O ATOM 303 CB LYS A 21 -12.880 -7.751 -2.913 1.00 0.00 C ATOM 304 CG LYS A 21 -12.749 -8.952 -1.990 1.00 0.00 C ATOM 305 CD LYS A 21 -13.700 -8.855 -0.807 1.00 0.00 C ATOM 306 CE LYS A 21 -13.989 -10.224 -0.203 1.00 0.00 C ATOM 307 NZ LYS A 21 -14.863 -11.055 -1.081 1.00 0.00 N ATOM 0 H LYS A 21 -10.950 -6.629 -0.765 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.840 -7.088 -2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -13.866 -7.307 -2.780 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.820 -8.090 -3.947 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.954 -9.865 -2.549 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.723 -9.023 -1.628 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.269 -8.205 -0.046 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.634 -8.394 -1.128 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.049 -10.748 -0.029 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.468 -10.097 0.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.253 -11.848 -0.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.642 -10.472 -1.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.304 -11.426 -1.876 1.00 0.00 H new ATOM 321 N GLN A 22 -11.545 -4.303 -3.150 1.00 0.00 N ATOM 322 CA GLN A 22 -11.717 -3.060 -3.894 1.00 0.00 C ATOM 323 C GLN A 22 -10.771 -3.002 -5.088 1.00 0.00 C ATOM 324 O GLN A 22 -9.907 -3.865 -5.250 1.00 0.00 O ATOM 325 CB GLN A 22 -11.475 -1.853 -2.979 1.00 0.00 C ATOM 326 CG GLN A 22 -12.741 -1.306 -2.337 1.00 0.00 C ATOM 327 CD GLN A 22 -13.151 0.042 -2.903 1.00 0.00 C ATOM 328 OE1 GLN A 22 -12.829 0.375 -4.045 1.00 0.00 O ATOM 329 NE2 GLN A 22 -13.866 0.830 -2.106 1.00 0.00 N ATOM 0 H GLN A 22 -10.990 -4.209 -2.299 1.00 0.00 H new ATOM 0 HA GLN A 22 -12.742 -3.029 -4.264 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.775 -2.139 -2.194 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -11.000 -1.060 -3.557 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -13.553 -2.018 -2.482 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -12.587 -1.212 -1.262 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -14.112 0.517 -1.167 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -14.168 1.747 -2.434 1.00 0.00 H new ATOM 338 N THR A 23 -10.935 -1.977 -5.920 1.00 0.00 N ATOM 339 CA THR A 23 -10.091 -1.808 -7.097 1.00 0.00 C ATOM 340 C THR A 23 -9.119 -0.642 -6.910 1.00 0.00 C ATOM 341 O THR A 23 -7.934 -0.765 -7.216 1.00 0.00 O ATOM 342 CB THR A 23 -10.952 -1.595 -8.348 1.00 0.00 C ATOM 343 OG1 THR A 23 -11.736 -0.421 -8.227 1.00 0.00 O ATOM 344 CG2 THR A 23 -11.894 -2.746 -8.631 1.00 0.00 C ATOM 0 H THR A 23 -11.643 -1.253 -5.801 1.00 0.00 H new ATOM 0 HA THR A 23 -9.506 -2.718 -7.229 1.00 0.00 H new ATOM 0 HB THR A 23 -10.243 -1.514 -9.172 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.276 -0.303 -9.036 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.473 -2.530 -9.529 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.318 -3.659 -8.781 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.570 -2.879 -7.787 1.00 0.00 H new ATOM 352 N SER A 24 -9.623 0.487 -6.404 1.00 0.00 N ATOM 353 CA SER A 24 -8.787 1.667 -6.176 1.00 0.00 C ATOM 354 C SER A 24 -9.433 2.617 -5.166 1.00 0.00 C ATOM 355 O SER A 24 -10.645 2.570 -4.947 1.00 0.00 O ATOM 356 CB SER A 24 -8.528 2.401 -7.496 1.00 0.00 C ATOM 357 OG SER A 24 -9.733 2.898 -8.055 1.00 0.00 O ATOM 0 H SER A 24 -10.602 0.608 -6.146 1.00 0.00 H new ATOM 0 HA SER A 24 -7.836 1.328 -5.764 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.836 3.226 -7.326 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.049 1.724 -8.203 1.00 0.00 H new ATOM 0 HG SER A 24 -9.537 3.363 -8.895 1.00 0.00 H new ATOM 363 N LEU A 25 -8.614 3.475 -4.554 1.00 0.00 N ATOM 364 CA LEU A 25 -9.100 4.432 -3.563 1.00 0.00 C ATOM 365 C LEU A 25 -8.297 5.735 -3.610 1.00 0.00 C ATOM 366 O LEU A 25 -7.204 5.780 -4.177 1.00 0.00 O ATOM 367 CB LEU A 25 -9.017 3.824 -2.160 1.00 0.00 C ATOM 368 CG LEU A 25 -10.270 3.075 -1.699 1.00 0.00 C ATOM 369 CD1 LEU A 25 -9.915 1.672 -1.230 1.00 0.00 C ATOM 370 CD2 LEU A 25 -10.977 3.847 -0.592 1.00 0.00 C ATOM 0 H LEU A 25 -7.610 3.525 -4.729 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.139 4.661 -3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.171 3.138 -2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.807 4.622 -1.448 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.949 2.990 -2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.819 1.157 -0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.456 1.120 -2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.215 1.733 -0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.865 3.300 -0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.303 3.965 0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.269 4.830 -0.963 1.00 0.00 H new ATOM 382 N GLN A 26 -8.848 6.789 -3.006 1.00 0.00 N ATOM 383 CA GLN A 26 -8.187 8.090 -2.969 1.00 0.00 C ATOM 384 C GLN A 26 -8.179 8.655 -1.552 1.00 0.00 C ATOM 385 O GLN A 26 -9.183 9.194 -1.080 1.00 0.00 O ATOM 386 CB GLN A 26 -8.881 9.068 -3.923 1.00 0.00 C ATOM 387 CG GLN A 26 -7.970 9.599 -5.018 1.00 0.00 C ATOM 388 CD GLN A 26 -8.166 8.881 -6.339 1.00 0.00 C ATOM 389 OE1 GLN A 26 -7.467 7.916 -6.642 1.00 0.00 O ATOM 390 NE2 GLN A 26 -9.124 9.348 -7.134 1.00 0.00 N ATOM 0 H GLN A 26 -9.753 6.765 -2.535 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.154 7.955 -3.291 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.735 8.570 -4.382 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.272 9.908 -3.348 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.157 10.664 -5.156 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.932 9.496 -4.703 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.681 10.152 -6.844 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.302 8.903 -8.034 1.00 0.00 H new ATOM 399 N LEU A 27 -7.039 8.526 -0.875 1.00 0.00 N ATOM 400 CA LEU A 27 -6.895 9.024 0.491 1.00 0.00 C ATOM 401 C LEU A 27 -6.320 10.439 0.491 1.00 0.00 C ATOM 402 O LEU A 27 -5.452 10.763 -0.322 1.00 0.00 O ATOM 403 CB LEU A 27 -5.993 8.090 1.309 1.00 0.00 C ATOM 404 CG LEU A 27 -6.379 6.608 1.266 1.00 0.00 C ATOM 405 CD1 LEU A 27 -5.188 5.736 1.636 1.00 0.00 C ATOM 406 CD2 LEU A 27 -7.554 6.333 2.196 1.00 0.00 C ATOM 0 H LEU A 27 -6.202 8.081 -1.251 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.883 9.050 0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.969 8.193 0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.001 8.421 2.347 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.683 6.361 0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.480 4.687 1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.376 5.911 0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.853 5.985 2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.813 5.275 2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.279 6.597 3.217 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.411 6.930 1.885 1.00 0.00 H new ATOM 504 N THR A 35 5.298 11.370 6.797 1.00 0.00 N ATOM 505 CA THR A 35 4.734 10.044 6.550 1.00 0.00 C ATOM 506 C THR A 35 5.473 9.335 5.415 1.00 0.00 C ATOM 507 O THR A 35 5.938 9.977 4.470 1.00 0.00 O ATOM 508 CB THR A 35 3.243 10.157 6.217 1.00 0.00 C ATOM 509 OG1 THR A 35 2.562 10.916 7.204 1.00 0.00 O ATOM 510 CG2 THR A 35 2.546 8.817 6.110 1.00 0.00 C ATOM 0 HA THR A 35 4.853 9.451 7.457 1.00 0.00 H new ATOM 0 HB THR A 35 3.205 10.647 5.244 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.194 11.522 7.645 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.494 8.972 5.872 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.013 8.226 5.322 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.629 8.287 7.059 1.00 0.00 H new ATOM 518 N ASN A 36 5.580 8.010 5.518 1.00 0.00 N ATOM 519 CA ASN A 36 6.264 7.206 4.507 1.00 0.00 C ATOM 520 C ASN A 36 5.463 5.945 4.173 1.00 0.00 C ATOM 521 O ASN A 36 4.337 5.773 4.648 1.00 0.00 O ATOM 522 CB ASN A 36 7.672 6.833 4.996 1.00 0.00 C ATOM 523 CG ASN A 36 7.653 6.026 6.282 1.00 0.00 C ATOM 524 OD1 ASN A 36 7.577 4.798 6.255 1.00 0.00 O ATOM 525 ND2 ASN A 36 7.726 6.711 7.420 1.00 0.00 N ATOM 0 H ASN A 36 5.200 7.470 6.295 1.00 0.00 H new ATOM 0 HA ASN A 36 6.350 7.800 3.597 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.181 6.261 4.221 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.251 7.743 5.152 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.720 6.218 8.313 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.788 7.729 7.399 1.00 0.00 H new ATOM 532 N LEU A 37 6.044 5.068 3.351 1.00 0.00 N ATOM 533 CA LEU A 37 5.376 3.831 2.949 1.00 0.00 C ATOM 534 C LEU A 37 4.977 2.988 4.154 1.00 0.00 C ATOM 535 O LEU A 37 3.853 2.490 4.215 1.00 0.00 O ATOM 536 CB LEU A 37 6.278 3.015 2.020 1.00 0.00 C ATOM 537 CG LEU A 37 5.575 1.888 1.260 1.00 0.00 C ATOM 538 CD1 LEU A 37 6.126 1.788 -0.153 1.00 0.00 C ATOM 539 CD2 LEU A 37 5.731 0.563 1.998 1.00 0.00 C ATOM 0 H LEU A 37 6.974 5.193 2.952 1.00 0.00 H new ATOM 0 HA LEU A 37 4.466 4.110 2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.735 3.690 1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.087 2.585 2.610 1.00 0.00 H new ATOM 0 HG LEU A 37 4.511 2.116 1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.619 0.983 -0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.960 2.730 -0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.195 1.579 -0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.224 -0.225 1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.790 0.320 2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.291 0.646 2.992 1.00 0.00 H new ATOM 551 N ASN A 38 5.892 2.833 5.114 1.00 0.00 N ATOM 552 CA ASN A 38 5.603 2.052 6.316 1.00 0.00 C ATOM 553 C ASN A 38 4.345 2.584 6.988 1.00 0.00 C ATOM 554 O ASN A 38 3.517 1.815 7.481 1.00 0.00 O ATOM 555 CB ASN A 38 6.779 2.097 7.296 1.00 0.00 C ATOM 556 CG ASN A 38 6.739 0.955 8.293 1.00 0.00 C ATOM 557 OD1 ASN A 38 7.415 -0.058 8.121 1.00 0.00 O ATOM 558 ND2 ASN A 38 5.938 1.109 9.343 1.00 0.00 N ATOM 0 H ASN A 38 6.829 3.234 5.083 1.00 0.00 H new ATOM 0 HA ASN A 38 5.445 1.015 6.021 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.715 2.058 6.739 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.766 3.046 7.832 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.868 0.371 10.043 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.394 1.965 9.448 1.00 0.00 H new ATOM 565 N GLY A 39 4.199 3.909 6.981 1.00 0.00 N ATOM 566 CA GLY A 39 3.034 4.534 7.565 1.00 0.00 C ATOM 567 C GLY A 39 1.799 4.355 6.701 1.00 0.00 C ATOM 568 O GLY A 39 0.689 4.238 7.220 1.00 0.00 O ATOM 0 H GLY A 39 4.874 4.559 6.578 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.851 4.109 8.552 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.226 5.598 7.707 1.00 0.00 H new ATOM 572 N LEU A 40 1.992 4.321 5.376 1.00 0.00 N ATOM 573 CA LEU A 40 0.880 4.144 4.445 1.00 0.00 C ATOM 574 C LEU A 40 0.253 2.763 4.612 1.00 0.00 C ATOM 575 O LEU A 40 -0.946 2.645 4.871 1.00 0.00 O ATOM 576 CB LEU A 40 1.350 4.324 2.996 1.00 0.00 C ATOM 577 CG LEU A 40 1.283 5.753 2.453 1.00 0.00 C ATOM 578 CD1 LEU A 40 1.708 5.783 0.990 1.00 0.00 C ATOM 579 CD2 LEU A 40 -0.121 6.323 2.618 1.00 0.00 C ATOM 0 H LEU A 40 2.905 4.414 4.930 1.00 0.00 H new ATOM 0 HA LEU A 40 0.132 4.904 4.671 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.379 3.973 2.920 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.747 3.682 2.355 1.00 0.00 H new ATOM 0 HG LEU A 40 1.972 6.375 3.025 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.655 6.806 0.617 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.730 5.416 0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.042 5.149 0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.149 7.340 2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.832 5.704 2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.387 6.334 3.675 1.00 0.00 H new ATOM 591 N VAL A 41 1.073 1.723 4.461 1.00 0.00 N ATOM 592 CA VAL A 41 0.598 0.348 4.595 1.00 0.00 C ATOM 593 C VAL A 41 -0.083 0.134 5.943 1.00 0.00 C ATOM 594 O VAL A 41 -1.242 -0.266 5.996 1.00 0.00 O ATOM 595 CB VAL A 41 1.726 -0.698 4.423 1.00 0.00 C ATOM 596 CG1 VAL A 41 1.913 -1.037 2.952 1.00 0.00 C ATOM 597 CG2 VAL A 41 3.037 -0.227 5.041 1.00 0.00 C ATOM 0 H VAL A 41 2.067 1.807 4.246 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.121 0.200 3.789 1.00 0.00 H new ATOM 0 HB VAL A 41 1.425 -1.600 4.956 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.709 -1.774 2.847 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.985 -1.446 2.552 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.179 -0.134 2.402 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.802 -0.991 4.898 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.354 0.699 4.560 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.894 -0.052 6.107 1.00 0.00 H new ATOM 607 N GLN A 42 0.641 0.408 7.027 1.00 0.00 N ATOM 608 CA GLN A 42 0.098 0.250 8.376 1.00 0.00 C ATOM 609 C GLN A 42 -1.254 0.961 8.524 1.00 0.00 C ATOM 610 O GLN A 42 -2.101 0.530 9.309 1.00 0.00 O ATOM 611 CB GLN A 42 1.087 0.782 9.417 1.00 0.00 C ATOM 612 CG GLN A 42 1.257 -0.136 10.618 1.00 0.00 C ATOM 613 CD GLN A 42 2.525 0.147 11.397 1.00 0.00 C ATOM 614 OE1 GLN A 42 2.550 1.018 12.267 1.00 0.00 O ATOM 615 NE2 GLN A 42 3.588 -0.591 11.094 1.00 0.00 N ATOM 0 H GLN A 42 1.605 0.740 6.998 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.060 -0.815 8.545 1.00 0.00 H new ATOM 0 HB2 GLN A 42 2.057 0.930 8.943 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.749 1.759 9.762 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.397 -0.025 11.279 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.267 -1.172 10.279 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.524 -1.303 10.366 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.468 -0.446 11.590 1.00 0.00 H new ATOM 624 N LEU A 43 -1.455 2.045 7.769 1.00 0.00 N ATOM 625 CA LEU A 43 -2.707 2.799 7.830 1.00 0.00 C ATOM 626 C LEU A 43 -3.841 2.083 7.086 1.00 0.00 C ATOM 627 O LEU A 43 -5.009 2.249 7.433 1.00 0.00 O ATOM 628 CB LEU A 43 -2.520 4.209 7.260 1.00 0.00 C ATOM 629 CG LEU A 43 -3.400 5.289 7.900 1.00 0.00 C ATOM 630 CD1 LEU A 43 -2.602 6.106 8.910 1.00 0.00 C ATOM 631 CD2 LEU A 43 -3.997 6.197 6.835 1.00 0.00 C ATOM 0 H LEU A 43 -0.769 2.417 7.112 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.986 2.872 8.881 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.475 4.496 7.377 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.725 4.182 6.190 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.216 4.794 8.426 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.245 6.867 9.352 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.226 5.449 9.694 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.764 6.588 8.407 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.618 6.956 7.311 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.195 6.681 6.278 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.607 5.605 6.152 1.00 0.00 H new ATOM 643 N LEU A 44 -3.500 1.293 6.061 1.00 0.00 N ATOM 644 CA LEU A 44 -4.518 0.575 5.286 1.00 0.00 C ATOM 645 C LEU A 44 -4.726 -0.857 5.796 1.00 0.00 C ATOM 646 O LEU A 44 -5.839 -1.377 5.730 1.00 0.00 O ATOM 647 CB LEU A 44 -4.185 0.570 3.785 1.00 0.00 C ATOM 648 CG LEU A 44 -2.808 0.024 3.391 1.00 0.00 C ATOM 649 CD1 LEU A 44 -2.785 -1.497 3.463 1.00 0.00 C ATOM 650 CD2 LEU A 44 -2.438 0.494 1.990 1.00 0.00 C ATOM 0 H LEU A 44 -2.541 1.136 5.752 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.454 1.115 5.426 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.945 -0.017 3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.265 1.592 3.414 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.072 0.408 4.098 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.797 -1.860 3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.010 -1.817 4.481 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.531 -1.905 2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.458 0.100 1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.181 0.135 1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.410 1.583 1.967 1.00 0.00 H new ATOM 662 N LYS A 45 -3.666 -1.496 6.296 1.00 0.00 N ATOM 663 CA LYS A 45 -3.775 -2.866 6.800 1.00 0.00 C ATOM 664 C LYS A 45 -4.065 -2.892 8.300 1.00 0.00 C ATOM 665 O LYS A 45 -5.100 -3.400 8.724 1.00 0.00 O ATOM 666 CB LYS A 45 -2.511 -3.677 6.480 1.00 0.00 C ATOM 667 CG LYS A 45 -1.204 -2.919 6.651 1.00 0.00 C ATOM 668 CD LYS A 45 -0.115 -3.803 7.234 1.00 0.00 C ATOM 669 CE LYS A 45 1.249 -3.137 7.138 1.00 0.00 C ATOM 670 NZ LYS A 45 2.222 -3.722 8.101 1.00 0.00 N ATOM 0 H LYS A 45 -2.732 -1.092 6.362 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.618 -3.331 6.289 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.490 -4.558 7.122 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.576 -4.033 5.452 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.880 -2.530 5.686 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.364 -2.060 7.303 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.342 -4.023 8.277 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.095 -4.756 6.705 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.634 -3.243 6.124 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.146 -2.069 7.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.181 -3.667 7.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.188 -3.191 8.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.978 -4.717 8.280 1.00 0.00 H new ATOM 684 N THR A 46 -3.165 -2.340 9.109 1.00 0.00 N ATOM 685 CA THR A 46 -3.365 -2.316 10.558 1.00 0.00 C ATOM 686 C THR A 46 -4.666 -1.594 10.929 1.00 0.00 C ATOM 687 O THR A 46 -5.196 -1.789 12.026 1.00 0.00 O ATOM 688 CB THR A 46 -2.173 -1.658 11.260 1.00 0.00 C ATOM 689 OG1 THR A 46 -0.970 -1.920 10.555 1.00 0.00 O ATOM 690 CG2 THR A 46 -1.979 -2.137 12.683 1.00 0.00 C ATOM 0 H THR A 46 -2.298 -1.907 8.792 1.00 0.00 H new ATOM 0 HA THR A 46 -3.443 -3.349 10.897 1.00 0.00 H new ATOM 0 HB THR A 46 -2.400 -0.592 11.277 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.345 -2.397 11.140 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.119 -1.632 13.123 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.871 -1.911 13.268 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.808 -3.213 12.684 1.00 0.00 H new ATOM 698 N ASN A 47 -5.181 -0.766 10.014 1.00 0.00 N ATOM 699 CA ASN A 47 -6.418 -0.031 10.258 1.00 0.00 C ATOM 700 C ASN A 47 -7.595 -0.622 9.471 1.00 0.00 C ATOM 701 O ASN A 47 -8.742 -0.526 9.914 1.00 0.00 O ATOM 702 CB ASN A 47 -6.240 1.448 9.901 1.00 0.00 C ATOM 703 CG ASN A 47 -6.581 2.369 11.059 1.00 0.00 C ATOM 704 OD1 ASN A 47 -7.409 2.038 11.906 1.00 0.00 O ATOM 705 ND2 ASN A 47 -5.946 3.535 11.099 1.00 0.00 N ATOM 0 H ASN A 47 -4.759 -0.591 9.102 1.00 0.00 H new ATOM 0 HA ASN A 47 -6.647 -0.120 11.320 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -5.209 1.623 9.593 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -6.873 1.692 9.048 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -6.138 4.195 11.853 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -5.266 3.770 10.376 1.00 0.00 H new ATOM 712 N TYR A 48 -7.322 -1.214 8.300 1.00 0.00 N ATOM 713 CA TYR A 48 -8.390 -1.788 7.476 1.00 0.00 C ATOM 714 C TYR A 48 -7.934 -3.035 6.702 1.00 0.00 C ATOM 715 O TYR A 48 -8.179 -3.148 5.500 1.00 0.00 O ATOM 716 CB TYR A 48 -8.906 -0.732 6.493 1.00 0.00 C ATOM 717 CG TYR A 48 -9.893 0.235 7.104 1.00 0.00 C ATOM 718 CD1 TYR A 48 -11.124 -0.204 7.578 1.00 0.00 C ATOM 719 CD2 TYR A 48 -9.597 1.587 7.205 1.00 0.00 C ATOM 720 CE1 TYR A 48 -12.028 0.675 8.133 1.00 0.00 C ATOM 721 CE2 TYR A 48 -10.498 2.475 7.760 1.00 0.00 C ATOM 722 CZ TYR A 48 -11.712 2.015 8.223 1.00 0.00 C ATOM 723 OH TYR A 48 -12.613 2.895 8.775 1.00 0.00 O ATOM 0 H TYR A 48 -6.385 -1.306 7.908 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.187 -2.100 8.151 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.059 -0.172 6.098 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.378 -1.234 5.649 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.376 -1.252 7.510 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -8.647 1.951 6.844 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.980 0.317 8.496 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.252 3.524 7.831 1.00 0.00 H new ATOM 0 HH TYR A 48 -12.236 3.799 8.764 1.00 0.00 H new ATOM 733 N VAL A 49 -7.285 -3.971 7.393 1.00 0.00 N ATOM 734 CA VAL A 49 -6.818 -5.204 6.752 1.00 0.00 C ATOM 735 C VAL A 49 -7.940 -6.230 6.611 1.00 0.00 C ATOM 736 O VAL A 49 -7.949 -7.012 5.659 1.00 0.00 O ATOM 737 CB VAL A 49 -5.638 -5.847 7.520 1.00 0.00 C ATOM 738 CG1 VAL A 49 -6.010 -6.144 8.968 1.00 0.00 C ATOM 739 CG2 VAL A 49 -5.164 -7.112 6.814 1.00 0.00 C ATOM 0 H VAL A 49 -7.071 -3.903 8.388 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.475 -4.913 5.759 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.818 -5.129 7.531 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.158 -6.595 9.477 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.284 -5.217 9.471 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.854 -6.833 8.993 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.334 -7.549 7.369 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.984 -7.829 6.762 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.835 -6.864 5.805 1.00 0.00 H new ATOM 749 N LYS A 50 -8.869 -6.236 7.573 1.00 0.00 N ATOM 750 CA LYS A 50 -9.994 -7.180 7.579 1.00 0.00 C ATOM 751 C LYS A 50 -9.520 -8.628 7.377 1.00 0.00 C ATOM 752 O LYS A 50 -10.298 -9.496 6.978 1.00 0.00 O ATOM 753 CB LYS A 50 -11.031 -6.796 6.514 1.00 0.00 C ATOM 754 CG LYS A 50 -10.612 -7.108 5.084 1.00 0.00 C ATOM 755 CD LYS A 50 -11.812 -7.433 4.207 1.00 0.00 C ATOM 756 CE LYS A 50 -11.894 -8.921 3.901 1.00 0.00 C ATOM 757 NZ LYS A 50 -12.201 -9.726 5.116 1.00 0.00 N ATOM 0 H LYS A 50 -8.864 -5.592 8.364 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.466 -7.122 8.560 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.964 -7.318 6.728 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.237 -5.729 6.594 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.076 -6.255 4.667 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.921 -7.951 5.082 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.726 -7.113 4.707 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.745 -6.872 3.275 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.663 -9.094 3.148 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.949 -9.256 3.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.593 -10.647 4.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.329 -9.875 5.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.895 -9.220 5.702 1.00 0.00 H new ATOM 771 N GLU A 51 -8.238 -8.876 7.657 1.00 0.00 N ATOM 772 CA GLU A 51 -7.652 -10.205 7.509 1.00 0.00 C ATOM 773 C GLU A 51 -6.388 -10.325 8.365 1.00 0.00 C ATOM 774 O GLU A 51 -6.134 -9.482 9.226 1.00 0.00 O ATOM 775 CB GLU A 51 -7.327 -10.474 6.034 1.00 0.00 C ATOM 776 CG GLU A 51 -7.756 -11.851 5.551 1.00 0.00 C ATOM 777 CD GLU A 51 -9.256 -11.959 5.361 1.00 0.00 C ATOM 778 OE1 GLU A 51 -9.784 -11.322 4.425 1.00 0.00 O ATOM 779 OE2 GLU A 51 -9.906 -12.677 6.150 1.00 0.00 O ATOM 0 H GLU A 51 -7.585 -8.167 7.989 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.372 -10.949 7.850 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.814 -9.716 5.420 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.253 -10.365 5.883 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.257 -12.073 4.608 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.429 -12.603 6.270 1.00 0.00 H new ATOM 786 N ARG A 52 -5.596 -11.369 8.122 1.00 0.00 N ATOM 787 CA ARG A 52 -4.361 -11.586 8.871 1.00 0.00 C ATOM 788 C ARG A 52 -3.304 -10.544 8.489 1.00 0.00 C ATOM 789 O ARG A 52 -2.780 -10.563 7.378 1.00 0.00 O ATOM 790 CB ARG A 52 -3.827 -13.005 8.617 1.00 0.00 C ATOM 791 CG ARG A 52 -2.506 -13.303 9.315 1.00 0.00 C ATOM 792 CD ARG A 52 -2.088 -14.755 9.125 1.00 0.00 C ATOM 793 NE ARG A 52 -1.874 -15.441 10.399 1.00 0.00 N ATOM 794 CZ ARG A 52 -1.454 -16.705 10.504 1.00 0.00 C ATOM 795 NH1 ARG A 52 -1.206 -17.425 9.413 1.00 0.00 N ATOM 796 NH2 ARG A 52 -1.288 -17.254 11.703 1.00 0.00 N ATOM 0 H ARG A 52 -5.788 -12.076 7.413 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.580 -11.478 9.933 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.573 -13.728 8.948 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.700 -13.148 7.544 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.730 -12.646 8.923 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.599 -13.087 10.379 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.855 -15.280 8.556 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.172 -14.793 8.536 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.056 -14.923 11.259 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.336 -17.013 8.489 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.886 -18.389 9.500 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.481 -16.710 12.544 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.967 -18.219 11.782 1.00 0.00 H new ATOM 810 N PRO A 53 -2.962 -9.616 9.410 1.00 0.00 N ATOM 811 CA PRO A 53 -1.955 -8.580 9.146 1.00 0.00 C ATOM 812 C PRO A 53 -0.583 -9.172 8.822 1.00 0.00 C ATOM 813 O PRO A 53 0.251 -8.516 8.194 1.00 0.00 O ATOM 814 CB PRO A 53 -1.894 -7.775 10.448 1.00 0.00 C ATOM 815 CG PRO A 53 -2.494 -8.661 11.486 1.00 0.00 C ATOM 816 CD PRO A 53 -3.513 -9.506 10.774 1.00 0.00 C ATOM 0 HA PRO A 53 -2.222 -7.978 8.278 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.867 -7.513 10.701 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.449 -6.841 10.359 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.732 -9.283 11.956 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -2.959 -8.074 12.278 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.625 -10.483 11.243 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.497 -9.037 10.775 1.00 0.00 H new ATOM 824 N ASP A 54 -0.355 -10.414 9.254 1.00 0.00 N ATOM 825 CA ASP A 54 0.915 -11.090 9.010 1.00 0.00 C ATOM 826 C ASP A 54 0.888 -11.940 7.735 1.00 0.00 C ATOM 827 O ASP A 54 1.830 -12.688 7.469 1.00 0.00 O ATOM 828 CB ASP A 54 1.281 -11.967 10.209 1.00 0.00 C ATOM 829 CG ASP A 54 2.521 -11.471 10.923 1.00 0.00 C ATOM 830 OD1 ASP A 54 3.634 -11.874 10.527 1.00 0.00 O ATOM 831 OD2 ASP A 54 2.380 -10.672 11.871 1.00 0.00 O ATOM 0 H ASP A 54 -1.034 -10.969 9.774 1.00 0.00 H new ATOM 0 HA ASP A 54 1.670 -10.316 8.871 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.446 -11.990 10.909 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.443 -12.991 9.872 1.00 0.00 H new ATOM 836 N LEU A 55 -0.181 -11.830 6.941 1.00 0.00 N ATOM 837 CA LEU A 55 -0.283 -12.600 5.702 1.00 0.00 C ATOM 838 C LEU A 55 0.340 -11.849 4.520 1.00 0.00 C ATOM 839 O LEU A 55 0.480 -12.413 3.432 1.00 0.00 O ATOM 840 CB LEU A 55 -1.748 -12.963 5.406 1.00 0.00 C ATOM 841 CG LEU A 55 -2.628 -11.830 4.863 1.00 0.00 C ATOM 842 CD1 LEU A 55 -2.470 -11.697 3.359 1.00 0.00 C ATOM 843 CD2 LEU A 55 -4.085 -12.076 5.219 1.00 0.00 C ATOM 0 H LEU A 55 -0.978 -11.223 7.132 1.00 0.00 H new ATOM 0 HA LEU A 55 0.280 -13.523 5.840 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.760 -13.781 4.686 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.200 -13.339 6.324 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.306 -10.897 5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.104 -10.887 2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.429 -11.478 3.120 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.764 -12.630 2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.697 -11.264 4.827 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.412 -13.020 4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.192 -12.121 6.303 1.00 0.00 H new ATOM 855 N LEU A 56 0.724 -10.585 4.734 1.00 0.00 N ATOM 856 CA LEU A 56 1.334 -9.780 3.676 1.00 0.00 C ATOM 857 C LEU A 56 2.755 -9.362 4.035 1.00 0.00 C ATOM 858 O LEU A 56 3.664 -9.486 3.215 1.00 0.00 O ATOM 859 CB LEU A 56 0.505 -8.529 3.365 1.00 0.00 C ATOM 860 CG LEU A 56 -0.077 -7.785 4.573 1.00 0.00 C ATOM 861 CD1 LEU A 56 -0.491 -6.376 4.177 1.00 0.00 C ATOM 862 CD2 LEU A 56 -1.263 -8.542 5.158 1.00 0.00 C ATOM 0 H LEU A 56 0.623 -10.102 5.627 1.00 0.00 H new ATOM 0 HA LEU A 56 1.364 -10.413 2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.130 -7.835 2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.318 -8.817 2.711 1.00 0.00 H new ATOM 0 HG LEU A 56 0.696 -7.721 5.338 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.902 -5.860 5.045 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.378 -5.831 3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.246 -6.426 3.393 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.658 -7.994 6.013 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.040 -8.642 4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.940 -9.532 5.479 1.00 0.00 H new ATOM 874 N VAL A 57 2.945 -8.852 5.253 1.00 0.00 N ATOM 875 CA VAL A 57 4.266 -8.405 5.692 1.00 0.00 C ATOM 876 C VAL A 57 5.310 -9.500 5.516 1.00 0.00 C ATOM 877 O VAL A 57 5.005 -10.692 5.586 1.00 0.00 O ATOM 878 CB VAL A 57 4.271 -7.939 7.162 1.00 0.00 C ATOM 879 CG1 VAL A 57 3.703 -6.532 7.275 1.00 0.00 C ATOM 880 CG2 VAL A 57 3.507 -8.911 8.049 1.00 0.00 C ATOM 0 H VAL A 57 2.207 -8.739 5.948 1.00 0.00 H new ATOM 0 HA VAL A 57 4.519 -7.554 5.059 1.00 0.00 H new ATOM 0 HB VAL A 57 5.304 -7.920 7.510 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.714 -6.218 8.319 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.310 -5.846 6.684 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.678 -6.522 6.904 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.528 -8.556 9.080 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.474 -8.978 7.709 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.972 -9.895 7.995 1.00 0.00 H new ATOM 890 N ASP A 58 6.547 -9.076 5.286 1.00 0.00 N ATOM 891 CA ASP A 58 7.658 -10.003 5.095 1.00 0.00 C ATOM 892 C ASP A 58 7.885 -10.834 6.352 1.00 0.00 C ATOM 893 O ASP A 58 7.833 -12.064 6.311 1.00 0.00 O ATOM 894 CB ASP A 58 8.931 -9.240 4.726 1.00 0.00 C ATOM 895 CG ASP A 58 10.050 -10.156 4.268 1.00 0.00 C ATOM 896 OD1 ASP A 58 9.762 -11.139 3.551 1.00 0.00 O ATOM 897 OD2 ASP A 58 11.216 -9.890 4.627 1.00 0.00 O ATOM 0 H ASP A 58 6.808 -8.092 5.227 1.00 0.00 H new ATOM 0 HA ASP A 58 7.406 -10.677 4.277 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.705 -8.525 3.935 1.00 0.00 H new ATOM 0 HB3 ASP A 58 9.268 -8.665 5.588 1.00 0.00 H new ATOM 902 N GLN A 59 8.120 -10.150 7.471 1.00 0.00 N ATOM 903 CA GLN A 59 8.339 -10.820 8.751 1.00 0.00 C ATOM 904 C GLN A 59 8.465 -9.813 9.891 1.00 0.00 C ATOM 905 O GLN A 59 7.899 -10.011 10.966 1.00 0.00 O ATOM 906 CB GLN A 59 9.589 -11.707 8.698 1.00 0.00 C ATOM 907 CG GLN A 59 9.561 -12.854 9.699 1.00 0.00 C ATOM 908 CD GLN A 59 9.738 -14.211 9.044 1.00 0.00 C ATOM 909 OE1 GLN A 59 10.829 -14.780 9.055 1.00 0.00 O ATOM 910 NE2 GLN A 59 8.661 -14.739 8.473 1.00 0.00 N ATOM 0 H GLN A 59 8.164 -9.132 7.516 1.00 0.00 H new ATOM 0 HA GLN A 59 7.469 -11.448 8.941 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.693 -12.115 7.693 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.469 -11.092 8.886 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.350 -12.706 10.436 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.614 -12.837 10.238 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.776 -14.232 8.487 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.719 -15.651 8.020 1.00 0.00 H new ATOM 919 N THR A 60 9.209 -8.733 9.650 1.00 0.00 N ATOM 920 CA THR A 60 9.408 -7.696 10.660 1.00 0.00 C ATOM 921 C THR A 60 8.286 -6.652 10.631 1.00 0.00 C ATOM 922 O THR A 60 8.388 -5.609 11.279 1.00 0.00 O ATOM 923 CB THR A 60 10.767 -7.011 10.460 1.00 0.00 C ATOM 924 OG1 THR A 60 10.774 -6.229 9.277 1.00 0.00 O ATOM 925 CG2 THR A 60 11.926 -7.986 10.374 1.00 0.00 C ATOM 0 H THR A 60 9.683 -8.555 8.765 1.00 0.00 H new ATOM 0 HA THR A 60 9.388 -8.181 11.636 1.00 0.00 H new ATOM 0 HB THR A 60 10.902 -6.387 11.343 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.650 -5.802 9.173 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.856 -7.435 10.233 1.00 0.00 H new ATOM 0 HG22 THR A 60 11.984 -8.565 11.296 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.772 -8.660 9.531 1.00 0.00 H new ATOM 933 N GLY A 61 7.218 -6.931 9.874 1.00 0.00 N ATOM 934 CA GLY A 61 6.109 -5.997 9.780 1.00 0.00 C ATOM 935 C GLY A 61 6.537 -4.638 9.252 1.00 0.00 C ATOM 936 O GLY A 61 5.859 -3.634 9.476 1.00 0.00 O ATOM 0 H GLY A 61 7.106 -7.785 9.328 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.342 -6.413 9.126 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.656 -5.875 10.764 1.00 0.00 H new ATOM 940 N GLN A 62 7.668 -4.612 8.548 1.00 0.00 N ATOM 941 CA GLN A 62 8.202 -3.377 7.981 1.00 0.00 C ATOM 942 C GLN A 62 8.028 -3.367 6.467 1.00 0.00 C ATOM 943 O GLN A 62 7.655 -2.349 5.879 1.00 0.00 O ATOM 944 CB GLN A 62 9.681 -3.232 8.346 1.00 0.00 C ATOM 945 CG GLN A 62 10.248 -1.842 8.096 1.00 0.00 C ATOM 946 CD GLN A 62 11.482 -1.561 8.931 1.00 0.00 C ATOM 947 OE1 GLN A 62 11.585 -0.518 9.575 1.00 0.00 O ATOM 948 NE2 GLN A 62 12.428 -2.496 8.926 1.00 0.00 N ATOM 0 H GLN A 62 8.234 -5.438 8.357 1.00 0.00 H new ATOM 0 HA GLN A 62 7.651 -2.533 8.396 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.811 -3.482 9.399 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.259 -3.957 7.773 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.496 -1.739 7.040 1.00 0.00 H new ATOM 0 HG3 GLN A 62 9.485 -1.096 8.318 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.301 -3.347 8.377 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.280 -2.362 9.471 1.00 0.00 H new ATOM 957 N THR A 63 8.294 -4.513 5.845 1.00 0.00 N ATOM 958 CA THR A 63 8.161 -4.658 4.399 1.00 0.00 C ATOM 959 C THR A 63 7.114 -5.729 4.071 1.00 0.00 C ATOM 960 O THR A 63 6.366 -6.158 4.952 1.00 0.00 O ATOM 961 CB THR A 63 9.520 -5.004 3.776 1.00 0.00 C ATOM 962 OG1 THR A 63 9.437 -5.028 2.360 1.00 0.00 O ATOM 963 CG2 THR A 63 10.070 -6.339 4.231 1.00 0.00 C ATOM 0 H THR A 63 8.605 -5.359 6.324 1.00 0.00 H new ATOM 0 HA THR A 63 7.824 -3.713 3.974 1.00 0.00 H new ATOM 0 HB THR A 63 10.197 -4.220 4.116 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.856 -4.301 2.054 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.032 -6.519 3.751 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.200 -6.329 5.313 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.374 -7.132 3.957 1.00 0.00 H new ATOM 971 N LEU A 64 7.056 -6.155 2.810 1.00 0.00 N ATOM 972 CA LEU A 64 6.090 -7.168 2.391 1.00 0.00 C ATOM 973 C LEU A 64 6.775 -8.481 2.018 1.00 0.00 C ATOM 974 O LEU A 64 7.960 -8.505 1.683 1.00 0.00 O ATOM 975 CB LEU A 64 5.267 -6.662 1.204 1.00 0.00 C ATOM 976 CG LEU A 64 4.049 -5.801 1.559 1.00 0.00 C ATOM 977 CD1 LEU A 64 3.168 -5.612 0.335 1.00 0.00 C ATOM 978 CD2 LEU A 64 3.250 -6.428 2.695 1.00 0.00 C ATOM 0 H LEU A 64 7.664 -5.816 2.064 1.00 0.00 H new ATOM 0 HA LEU A 64 5.430 -7.358 3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.921 -6.083 0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.925 -7.523 0.629 1.00 0.00 H new ATOM 0 HG LEU A 64 4.405 -4.826 1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.306 -4.999 0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.738 -5.117 -0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.827 -6.584 -0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.392 -5.798 2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.903 -7.416 2.394 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.883 -6.519 3.578 1.00 0.00 H new ATOM 990 N ARG A 65 6.010 -9.570 2.075 1.00 0.00 N ATOM 991 CA ARG A 65 6.527 -10.897 1.743 1.00 0.00 C ATOM 992 C ARG A 65 6.613 -11.087 0.228 1.00 0.00 C ATOM 993 O ARG A 65 5.909 -10.414 -0.528 1.00 0.00 O ATOM 994 CB ARG A 65 5.641 -11.988 2.360 1.00 0.00 C ATOM 995 CG ARG A 65 4.233 -12.042 1.783 1.00 0.00 C ATOM 996 CD ARG A 65 3.807 -13.470 1.476 1.00 0.00 C ATOM 997 NE ARG A 65 3.492 -14.223 2.689 1.00 0.00 N ATOM 998 CZ ARG A 65 3.428 -15.557 2.746 1.00 0.00 C ATOM 999 NH1 ARG A 65 3.640 -16.290 1.656 1.00 0.00 N ATOM 1000 NH2 ARG A 65 3.144 -16.159 3.898 1.00 0.00 N ATOM 0 H ARG A 65 5.027 -9.559 2.349 1.00 0.00 H new ATOM 0 HA ARG A 65 7.531 -10.980 2.158 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.120 -12.956 2.214 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.576 -11.824 3.436 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.532 -11.597 2.490 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.190 -11.445 0.872 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.935 -13.455 0.822 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.604 -13.977 0.932 1.00 0.00 H new ATOM 0 HE ARG A 65 3.310 -13.698 3.544 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.853 -15.834 0.769 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.589 -17.307 1.708 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.975 -15.603 4.736 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.095 -17.177 3.943 1.00 0.00 H new ATOM 1014 N PRO A 66 7.479 -12.013 -0.236 1.00 0.00 N ATOM 1015 CA PRO A 66 7.651 -12.289 -1.667 1.00 0.00 C ATOM 1016 C PRO A 66 6.337 -12.645 -2.354 1.00 0.00 C ATOM 1017 O PRO A 66 5.549 -13.441 -1.838 1.00 0.00 O ATOM 1018 CB PRO A 66 8.613 -13.486 -1.705 1.00 0.00 C ATOM 1019 CG PRO A 66 8.650 -14.020 -0.312 1.00 0.00 C ATOM 1020 CD PRO A 66 8.355 -12.857 0.591 1.00 0.00 C ATOM 0 HA PRO A 66 8.025 -11.414 -2.198 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.266 -14.245 -2.406 1.00 0.00 H new ATOM 0 HB3 PRO A 66 9.606 -13.180 -2.033 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.913 -14.812 -0.179 1.00 0.00 H new ATOM 0 HG3 PRO A 66 9.626 -14.451 -0.086 1.00 0.00 H new ATOM 0 HD2 PRO A 66 7.861 -13.174 1.510 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.264 -12.331 0.883 1.00 0.00 H new ATOM 1028 N GLY A 67 6.105 -12.044 -3.519 1.00 0.00 N ATOM 1029 CA GLY A 67 4.886 -12.297 -4.266 1.00 0.00 C ATOM 1030 C GLY A 67 4.244 -11.016 -4.766 1.00 0.00 C ATOM 1031 O GLY A 67 3.883 -10.915 -5.938 1.00 0.00 O ATOM 0 H GLY A 67 6.744 -11.383 -3.960 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.109 -12.945 -5.114 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.179 -12.833 -3.633 1.00 0.00 H new ATOM 1035 N ILE A 68 4.110 -10.035 -3.873 1.00 0.00 N ATOM 1036 CA ILE A 68 3.515 -8.750 -4.230 1.00 0.00 C ATOM 1037 C ILE A 68 4.564 -7.800 -4.811 1.00 0.00 C ATOM 1038 O ILE A 68 5.679 -7.703 -4.295 1.00 0.00 O ATOM 1039 CB ILE A 68 2.849 -8.067 -3.013 1.00 0.00 C ATOM 1040 CG1 ILE A 68 1.911 -9.037 -2.291 1.00 0.00 C ATOM 1041 CG2 ILE A 68 2.089 -6.821 -3.447 1.00 0.00 C ATOM 1042 CD1 ILE A 68 1.911 -8.859 -0.790 1.00 0.00 C ATOM 0 H ILE A 68 4.405 -10.107 -2.899 1.00 0.00 H new ATOM 0 HA ILE A 68 2.753 -8.960 -4.980 1.00 0.00 H new ATOM 0 HB ILE A 68 3.636 -7.770 -2.320 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.897 -8.899 -2.667 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.203 -10.060 -2.529 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.627 -6.355 -2.577 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.779 -6.117 -3.912 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.315 -7.098 -4.163 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.226 -9.577 -0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.917 -9.025 -0.404 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.590 -7.847 -0.544 1.00 0.00 H new ATOM 1054 N LEU A 69 4.195 -7.101 -5.883 1.00 0.00 N ATOM 1055 CA LEU A 69 5.097 -6.154 -6.533 1.00 0.00 C ATOM 1056 C LEU A 69 4.659 -4.716 -6.258 1.00 0.00 C ATOM 1057 O LEU A 69 3.663 -4.247 -6.813 1.00 0.00 O ATOM 1058 CB LEU A 69 5.137 -6.408 -8.044 1.00 0.00 C ATOM 1059 CG LEU A 69 6.497 -6.176 -8.709 1.00 0.00 C ATOM 1060 CD1 LEU A 69 7.339 -7.444 -8.671 1.00 0.00 C ATOM 1061 CD2 LEU A 69 6.314 -5.699 -10.145 1.00 0.00 C ATOM 0 H LEU A 69 3.276 -7.173 -6.320 1.00 0.00 H new ATOM 0 HA LEU A 69 6.096 -6.298 -6.122 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.830 -7.437 -8.231 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.401 -5.763 -8.524 1.00 0.00 H new ATOM 0 HG LEU A 69 7.022 -5.401 -8.151 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.301 -7.257 -9.149 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.500 -7.743 -7.635 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.820 -8.242 -9.202 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.290 -5.539 -10.602 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.767 -6.452 -10.712 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.754 -4.764 -10.149 1.00 0.00 H new ATOM 1073 N VAL A 70 5.407 -4.022 -5.399 1.00 0.00 N ATOM 1074 CA VAL A 70 5.092 -2.635 -5.058 1.00 0.00 C ATOM 1075 C VAL A 70 5.653 -1.676 -6.106 1.00 0.00 C ATOM 1076 O VAL A 70 6.835 -1.741 -6.451 1.00 0.00 O ATOM 1077 CB VAL A 70 5.629 -2.238 -3.663 1.00 0.00 C ATOM 1078 CG1 VAL A 70 4.861 -2.959 -2.563 1.00 0.00 C ATOM 1079 CG2 VAL A 70 7.122 -2.519 -3.552 1.00 0.00 C ATOM 0 H VAL A 70 6.231 -4.396 -4.929 1.00 0.00 H new ATOM 0 HA VAL A 70 4.005 -2.561 -5.038 1.00 0.00 H new ATOM 0 HB VAL A 70 5.478 -1.166 -3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.256 -2.665 -1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.806 -2.693 -2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.971 -4.036 -2.688 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.474 -2.231 -2.561 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.305 -3.582 -3.707 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.657 -1.945 -4.308 1.00 0.00 H new ATOM 1089 N LEU A 71 4.797 -0.793 -6.616 1.00 0.00 N ATOM 1090 CA LEU A 71 5.208 0.173 -7.636 1.00 0.00 C ATOM 1091 C LEU A 71 4.729 1.583 -7.299 1.00 0.00 C ATOM 1092 O LEU A 71 3.581 1.779 -6.891 1.00 0.00 O ATOM 1093 CB LEU A 71 4.672 -0.233 -9.017 1.00 0.00 C ATOM 1094 CG LEU A 71 4.458 -1.734 -9.231 1.00 0.00 C ATOM 1095 CD1 LEU A 71 3.664 -1.982 -10.506 1.00 0.00 C ATOM 1096 CD2 LEU A 71 5.793 -2.463 -9.281 1.00 0.00 C ATOM 0 H LEU A 71 3.817 -0.725 -6.342 1.00 0.00 H new ATOM 0 HA LEU A 71 6.298 0.174 -7.657 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.723 0.278 -9.183 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.366 0.128 -9.776 1.00 0.00 H new ATOM 0 HG LEU A 71 3.887 -2.124 -8.389 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.521 -3.054 -10.643 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.693 -1.493 -10.431 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.209 -1.577 -11.359 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.620 -3.528 -9.434 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.391 -2.071 -10.104 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.325 -2.313 -8.342 1.00 0.00 H new ATOM 1108 N VAL A 72 5.613 2.559 -7.490 1.00 0.00 N ATOM 1109 CA VAL A 72 5.293 3.958 -7.226 1.00 0.00 C ATOM 1110 C VAL A 72 5.173 4.732 -8.536 1.00 0.00 C ATOM 1111 O VAL A 72 6.180 5.067 -9.164 1.00 0.00 O ATOM 1112 CB VAL A 72 6.356 4.634 -6.335 1.00 0.00 C ATOM 1113 CG1 VAL A 72 5.929 6.049 -5.968 1.00 0.00 C ATOM 1114 CG2 VAL A 72 6.615 3.810 -5.081 1.00 0.00 C ATOM 0 H VAL A 72 6.563 2.404 -7.829 1.00 0.00 H new ATOM 0 HA VAL A 72 4.341 3.974 -6.696 1.00 0.00 H new ATOM 0 HB VAL A 72 7.285 4.692 -6.901 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.692 6.508 -5.340 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.804 6.638 -6.876 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.984 6.015 -5.425 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.368 4.306 -4.469 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.690 3.713 -4.512 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.972 2.820 -5.364 1.00 0.00 H new ATOM 1124 N ASN A 73 3.934 5.000 -8.948 1.00 0.00 N ATOM 1125 CA ASN A 73 3.666 5.724 -10.192 1.00 0.00 C ATOM 1126 C ASN A 73 4.236 4.967 -11.394 1.00 0.00 C ATOM 1127 O ASN A 73 5.052 5.498 -12.151 1.00 0.00 O ATOM 1128 CB ASN A 73 4.245 7.144 -10.130 1.00 0.00 C ATOM 1129 CG ASN A 73 3.260 8.146 -9.555 1.00 0.00 C ATOM 1130 OD1 ASN A 73 2.229 8.434 -10.161 1.00 0.00 O ATOM 1131 ND2 ASN A 73 3.573 8.685 -8.381 1.00 0.00 N ATOM 0 H ASN A 73 3.096 4.725 -8.436 1.00 0.00 H new ATOM 0 HA ASN A 73 2.585 5.798 -10.313 1.00 0.00 H new ATOM 0 HB2 ASN A 73 5.150 7.138 -9.522 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.536 7.459 -11.132 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.948 9.365 -7.949 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.438 8.418 -7.912 1.00 0.00 H new ATOM 1138 N SER A 74 3.795 3.718 -11.556 1.00 0.00 N ATOM 1139 CA SER A 74 4.244 2.865 -12.657 1.00 0.00 C ATOM 1140 C SER A 74 5.768 2.691 -12.651 1.00 0.00 C ATOM 1141 O SER A 74 6.428 2.859 -13.680 1.00 0.00 O ATOM 1142 CB SER A 74 3.777 3.444 -13.999 1.00 0.00 C ATOM 1143 OG SER A 74 2.435 3.080 -14.272 1.00 0.00 O ATOM 0 H SER A 74 3.122 3.272 -10.933 1.00 0.00 H new ATOM 0 HA SER A 74 3.799 1.880 -12.519 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.866 4.530 -13.981 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.425 3.085 -14.799 1.00 0.00 H new ATOM 0 HG SER A 74 2.161 3.463 -15.132 1.00 0.00 H new ATOM 1149 N CYS A 75 6.321 2.347 -11.486 1.00 0.00 N ATOM 1150 CA CYS A 75 7.764 2.144 -11.350 1.00 0.00 C ATOM 1151 C CYS A 75 8.086 1.370 -10.070 1.00 0.00 C ATOM 1152 O CYS A 75 7.506 1.635 -9.018 1.00 0.00 O ATOM 1153 CB CYS A 75 8.491 3.491 -11.347 1.00 0.00 C ATOM 1154 SG CYS A 75 10.287 3.362 -11.169 1.00 0.00 S ATOM 0 H CYS A 75 5.793 2.204 -10.625 1.00 0.00 H new ATOM 0 HA CYS A 75 8.108 1.558 -12.202 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.266 4.015 -12.276 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.099 4.101 -10.533 1.00 0.00 H new ATOM 0 HG CYS A 75 10.811 4.552 -11.180 1.00 0.00 H new ATOM 1160 N ASP A 76 9.011 0.413 -10.169 1.00 0.00 N ATOM 1161 CA ASP A 76 9.405 -0.403 -9.017 1.00 0.00 C ATOM 1162 C ASP A 76 9.832 0.472 -7.837 1.00 0.00 C ATOM 1163 O ASP A 76 10.713 1.325 -7.969 1.00 0.00 O ATOM 1164 CB ASP A 76 10.538 -1.361 -9.400 1.00 0.00 C ATOM 1165 CG ASP A 76 10.029 -2.594 -10.121 1.00 0.00 C ATOM 1166 OD1 ASP A 76 9.501 -3.502 -9.445 1.00 0.00 O ATOM 1167 OD2 ASP A 76 10.159 -2.652 -11.362 1.00 0.00 O ATOM 0 H ASP A 76 9.501 0.184 -11.034 1.00 0.00 H new ATOM 0 HA ASP A 76 8.537 -0.986 -8.711 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.252 -0.839 -10.037 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.074 -1.664 -8.501 1.00 0.00 H new ATOM 1172 N ALA A 77 9.194 0.257 -6.687 1.00 0.00 N ATOM 1173 CA ALA A 77 9.493 1.028 -5.477 1.00 0.00 C ATOM 1174 C ALA A 77 10.716 0.489 -4.735 1.00 0.00 C ATOM 1175 O ALA A 77 11.356 1.221 -3.981 1.00 0.00 O ATOM 1176 CB ALA A 77 8.290 1.034 -4.546 1.00 0.00 C ATOM 0 H ALA A 77 8.465 -0.446 -6.566 1.00 0.00 H new ATOM 0 HA ALA A 77 9.720 2.046 -5.793 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.525 1.610 -3.651 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.438 1.486 -5.055 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.043 0.010 -4.264 1.00 0.00 H new ATOM 1182 N GLU A 78 11.038 -0.788 -4.947 1.00 0.00 N ATOM 1183 CA GLU A 78 12.181 -1.413 -4.287 1.00 0.00 C ATOM 1184 C GLU A 78 13.501 -0.869 -4.823 1.00 0.00 C ATOM 1185 O GLU A 78 14.554 -1.082 -4.220 1.00 0.00 O ATOM 1186 CB GLU A 78 12.133 -2.931 -4.462 1.00 0.00 C ATOM 1187 CG GLU A 78 10.919 -3.578 -3.814 1.00 0.00 C ATOM 1188 CD GLU A 78 11.262 -4.303 -2.528 1.00 0.00 C ATOM 1189 OE1 GLU A 78 11.635 -5.493 -2.598 1.00 0.00 O ATOM 1190 OE2 GLU A 78 11.158 -3.679 -1.450 1.00 0.00 O ATOM 0 H GLU A 78 10.522 -1.408 -5.571 1.00 0.00 H new ATOM 0 HA GLU A 78 12.121 -1.172 -3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.136 -3.166 -5.526 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.037 -3.367 -4.037 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.171 -2.813 -3.607 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.469 -4.282 -4.515 1.00 0.00 H new ATOM 1197 N VAL A 79 13.446 -0.172 -5.956 1.00 0.00 N ATOM 1198 CA VAL A 79 14.645 0.389 -6.558 1.00 0.00 C ATOM 1199 C VAL A 79 15.148 1.611 -5.784 1.00 0.00 C ATOM 1200 O VAL A 79 16.348 1.888 -5.765 1.00 0.00 O ATOM 1201 CB VAL A 79 14.411 0.789 -8.028 1.00 0.00 C ATOM 1202 CG1 VAL A 79 15.725 1.176 -8.691 1.00 0.00 C ATOM 1203 CG2 VAL A 79 13.729 -0.339 -8.791 1.00 0.00 C ATOM 0 H VAL A 79 12.586 0.015 -6.471 1.00 0.00 H new ATOM 0 HA VAL A 79 15.401 -0.395 -6.518 1.00 0.00 H new ATOM 0 HB VAL A 79 13.751 1.656 -8.048 1.00 0.00 H new ATOM 0 HG11 VAL A 79 15.541 1.455 -9.728 1.00 0.00 H new ATOM 0 HG12 VAL A 79 16.165 2.020 -8.161 1.00 0.00 H new ATOM 0 HG13 VAL A 79 16.411 0.330 -8.660 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.573 -0.036 -9.826 1.00 0.00 H new ATOM 0 HG22 VAL A 79 14.358 -1.229 -8.764 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.767 -0.561 -8.329 1.00 0.00 H new ATOM 1213 N VAL A 80 14.227 2.346 -5.159 1.00 0.00 N ATOM 1214 CA VAL A 80 14.587 3.545 -4.402 1.00 0.00 C ATOM 1215 C VAL A 80 14.285 3.397 -2.909 1.00 0.00 C ATOM 1216 O VAL A 80 15.100 3.778 -2.067 1.00 0.00 O ATOM 1217 CB VAL A 80 13.860 4.792 -4.952 1.00 0.00 C ATOM 1218 CG1 VAL A 80 14.153 4.958 -6.433 1.00 0.00 C ATOM 1219 CG2 VAL A 80 12.358 4.701 -4.712 1.00 0.00 C ATOM 0 H VAL A 80 13.230 2.133 -5.162 1.00 0.00 H new ATOM 0 HA VAL A 80 15.663 3.673 -4.522 1.00 0.00 H new ATOM 0 HB VAL A 80 14.232 5.667 -4.419 1.00 0.00 H new ATOM 0 HG11 VAL A 80 13.635 5.840 -6.810 1.00 0.00 H new ATOM 0 HG12 VAL A 80 15.226 5.077 -6.580 1.00 0.00 H new ATOM 0 HG13 VAL A 80 13.808 4.076 -6.973 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.871 5.592 -5.109 1.00 0.00 H new ATOM 0 HG22 VAL A 80 11.962 3.818 -5.213 1.00 0.00 H new ATOM 0 HG23 VAL A 80 12.164 4.628 -3.642 1.00 0.00 H new ATOM 1229 N GLY A 81 13.114 2.847 -2.588 1.00 0.00 N ATOM 1230 CA GLY A 81 12.729 2.667 -1.201 1.00 0.00 C ATOM 1231 C GLY A 81 11.407 1.939 -1.058 1.00 0.00 C ATOM 1232 O GLY A 81 10.392 2.547 -0.709 1.00 0.00 O ATOM 0 H GLY A 81 12.426 2.523 -3.267 1.00 0.00 H new ATOM 0 HA2 GLY A 81 13.507 2.108 -0.681 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.658 3.641 -0.717 1.00 0.00 H new ATOM 1236 N GLY A 82 11.425 0.633 -1.336 1.00 0.00 N ATOM 1237 CA GLY A 82 10.218 -0.184 -1.244 1.00 0.00 C ATOM 1238 C GLY A 82 9.473 -0.013 0.071 1.00 0.00 C ATOM 1239 O GLY A 82 8.254 -0.177 0.119 1.00 0.00 O ATOM 0 H GLY A 82 12.259 0.123 -1.625 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.551 0.072 -2.067 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.488 -1.233 -1.367 1.00 0.00 H new ATOM 1243 N MET A 83 10.204 0.322 1.133 1.00 0.00 N ATOM 1244 CA MET A 83 9.602 0.526 2.449 1.00 0.00 C ATOM 1245 C MET A 83 10.104 1.833 3.074 1.00 0.00 C ATOM 1246 O MET A 83 10.186 1.955 4.297 1.00 0.00 O ATOM 1247 CB MET A 83 9.916 -0.659 3.374 1.00 0.00 C ATOM 1248 CG MET A 83 11.368 -1.117 3.317 1.00 0.00 C ATOM 1249 SD MET A 83 11.921 -1.887 4.851 1.00 0.00 S ATOM 1250 CE MET A 83 13.293 -0.820 5.285 1.00 0.00 C ATOM 0 H MET A 83 11.215 0.458 1.107 1.00 0.00 H new ATOM 0 HA MET A 83 8.521 0.593 2.324 1.00 0.00 H new ATOM 0 HB2 MET A 83 9.673 -0.381 4.400 1.00 0.00 H new ATOM 0 HB3 MET A 83 9.270 -1.496 3.108 1.00 0.00 H new ATOM 0 HG2 MET A 83 11.489 -1.825 2.497 1.00 0.00 H new ATOM 0 HG3 MET A 83 12.005 -0.261 3.096 1.00 0.00 H new ATOM 0 HE1 MET A 83 13.743 -1.166 6.216 1.00 0.00 H new ATOM 0 HE2 MET A 83 14.039 -0.845 4.490 1.00 0.00 H new ATOM 0 HE3 MET A 83 12.933 0.201 5.414 1.00 0.00 H new ATOM 1260 N ASP A 84 10.446 2.807 2.225 1.00 0.00 N ATOM 1261 CA ASP A 84 10.951 4.094 2.695 1.00 0.00 C ATOM 1262 C ASP A 84 10.576 5.229 1.735 1.00 0.00 C ATOM 1263 O ASP A 84 11.311 6.215 1.614 1.00 0.00 O ATOM 1264 CB ASP A 84 12.473 4.029 2.853 1.00 0.00 C ATOM 1265 CG ASP A 84 13.015 5.167 3.696 1.00 0.00 C ATOM 1266 OD1 ASP A 84 12.606 5.281 4.869 1.00 0.00 O ATOM 1267 OD2 ASP A 84 13.846 5.942 3.180 1.00 0.00 O ATOM 0 H ASP A 84 10.381 2.726 1.210 1.00 0.00 H new ATOM 0 HA ASP A 84 10.490 4.304 3.660 1.00 0.00 H new ATOM 0 HB2 ASP A 84 12.748 3.079 3.310 1.00 0.00 H new ATOM 0 HB3 ASP A 84 12.939 4.056 1.868 1.00 0.00 H new ATOM 1272 N TYR A 85 9.436 5.095 1.055 1.00 0.00 N ATOM 1273 CA TYR A 85 8.983 6.118 0.115 1.00 0.00 C ATOM 1274 C TYR A 85 8.172 7.203 0.824 1.00 0.00 C ATOM 1275 O TYR A 85 7.096 6.936 1.365 1.00 0.00 O ATOM 1276 CB TYR A 85 8.149 5.485 -1.000 1.00 0.00 C ATOM 1277 CG TYR A 85 8.334 6.152 -2.342 1.00 0.00 C ATOM 1278 CD1 TYR A 85 7.722 7.368 -2.621 1.00 0.00 C ATOM 1279 CD2 TYR A 85 9.123 5.571 -3.326 1.00 0.00 C ATOM 1280 CE1 TYR A 85 7.888 7.982 -3.847 1.00 0.00 C ATOM 1281 CE2 TYR A 85 9.292 6.179 -4.554 1.00 0.00 C ATOM 1282 CZ TYR A 85 8.675 7.384 -4.809 1.00 0.00 C ATOM 1283 OH TYR A 85 8.838 7.985 -6.032 1.00 0.00 O ATOM 0 H TYR A 85 8.813 4.292 1.138 1.00 0.00 H new ATOM 0 HA TYR A 85 9.866 6.584 -0.321 1.00 0.00 H new ATOM 0 HB2 TYR A 85 8.413 4.431 -1.087 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.095 5.528 -0.724 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.108 7.840 -1.868 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.612 4.629 -3.128 1.00 0.00 H new ATOM 0 HE1 TYR A 85 7.404 8.926 -4.051 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.905 5.712 -5.311 1.00 0.00 H new ATOM 0 HH TYR A 85 9.423 7.433 -6.592 1.00 0.00 H new ATOM 1293 N VAL A 86 8.699 8.430 0.813 1.00 0.00 N ATOM 1294 CA VAL A 86 8.031 9.568 1.452 1.00 0.00 C ATOM 1295 C VAL A 86 6.721 9.915 0.742 1.00 0.00 C ATOM 1296 O VAL A 86 6.445 9.419 -0.350 1.00 0.00 O ATOM 1297 CB VAL A 86 8.931 10.824 1.474 1.00 0.00 C ATOM 1298 CG1 VAL A 86 10.159 10.598 2.345 1.00 0.00 C ATOM 1299 CG2 VAL A 86 9.333 11.226 0.058 1.00 0.00 C ATOM 0 H VAL A 86 9.587 8.662 0.368 1.00 0.00 H new ATOM 0 HA VAL A 86 7.821 9.263 2.477 1.00 0.00 H new ATOM 0 HB VAL A 86 8.358 11.643 1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.776 11.496 2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.846 10.374 3.365 1.00 0.00 H new ATOM 0 HG13 VAL A 86 10.736 9.761 1.951 1.00 0.00 H new ATOM 0 HG21 VAL A 86 9.966 12.112 0.097 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.881 10.409 -0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.439 11.444 -0.526 1.00 0.00 H new ATOM 1309 N LEU A 87 5.918 10.774 1.372 1.00 0.00 N ATOM 1310 CA LEU A 87 4.637 11.189 0.802 1.00 0.00 C ATOM 1311 C LEU A 87 4.613 12.688 0.508 1.00 0.00 C ATOM 1312 O LEU A 87 5.577 13.407 0.778 1.00 0.00 O ATOM 1313 CB LEU A 87 3.497 10.835 1.760 1.00 0.00 C ATOM 1314 CG LEU A 87 2.516 9.779 1.244 1.00 0.00 C ATOM 1315 CD1 LEU A 87 2.224 8.758 2.333 1.00 0.00 C ATOM 1316 CD2 LEU A 87 1.228 10.433 0.763 1.00 0.00 C ATOM 0 H LEU A 87 6.132 11.195 2.276 1.00 0.00 H new ATOM 0 HA LEU A 87 4.505 10.656 -0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.928 10.481 2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.940 11.744 1.989 1.00 0.00 H new ATOM 0 HG LEU A 87 2.972 9.265 0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.525 8.012 1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.151 8.268 2.631 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.786 9.261 3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.544 9.666 0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.764 10.972 1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.453 11.130 -0.045 1.00 0.00 H new ATOM 1328 N ASN A 88 3.487 13.149 -0.040 1.00 0.00 N ATOM 1329 CA ASN A 88 3.300 14.560 -0.370 1.00 0.00 C ATOM 1330 C ASN A 88 1.810 14.869 -0.527 1.00 0.00 C ATOM 1331 O ASN A 88 1.171 15.340 0.413 1.00 0.00 O ATOM 1332 CB ASN A 88 4.065 14.924 -1.649 1.00 0.00 C ATOM 1333 CG ASN A 88 5.282 15.789 -1.373 1.00 0.00 C ATOM 1334 OD1 ASN A 88 5.223 16.727 -0.579 1.00 0.00 O ATOM 1335 ND2 ASN A 88 6.392 15.478 -2.032 1.00 0.00 N ATOM 0 H ASN A 88 2.686 12.559 -0.265 1.00 0.00 H new ATOM 0 HA ASN A 88 3.699 15.164 0.445 1.00 0.00 H new ATOM 0 HB2 ASN A 88 4.380 14.010 -2.153 1.00 0.00 H new ATOM 0 HB3 ASN A 88 3.397 15.450 -2.331 1.00 0.00 H new ATOM 0 HD21 ASN A 88 7.241 16.026 -1.889 1.00 0.00 H new ATOM 0 HD22 ASN A 88 6.396 14.691 -2.681 1.00 0.00 H new ATOM 1342 N ASP A 89 1.263 14.585 -1.712 1.00 0.00 N ATOM 1343 CA ASP A 89 -0.160 14.817 -1.987 1.00 0.00 C ATOM 1344 C ASP A 89 -0.562 14.270 -3.362 1.00 0.00 C ATOM 1345 O ASP A 89 -1.428 14.831 -4.038 1.00 0.00 O ATOM 1346 CB ASP A 89 -0.489 16.311 -1.906 1.00 0.00 C ATOM 1347 CG ASP A 89 -1.073 16.712 -0.561 1.00 0.00 C ATOM 1348 OD1 ASP A 89 -1.901 15.949 -0.015 1.00 0.00 O ATOM 1349 OD2 ASP A 89 -0.704 17.792 -0.056 1.00 0.00 O ATOM 0 H ASP A 89 1.783 14.194 -2.497 1.00 0.00 H new ATOM 0 HA ASP A 89 -0.731 14.284 -1.227 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.417 16.889 -2.091 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.196 16.566 -2.695 1.00 0.00 H new ATOM 1354 N GLY A 90 0.069 13.170 -3.766 1.00 0.00 N ATOM 1355 CA GLY A 90 -0.235 12.563 -5.051 1.00 0.00 C ATOM 1356 C GLY A 90 0.617 11.339 -5.329 1.00 0.00 C ATOM 1357 O GLY A 90 1.029 11.107 -6.467 1.00 0.00 O ATOM 0 H GLY A 90 0.787 12.688 -3.225 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.288 12.283 -5.077 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -0.081 13.297 -5.842 1.00 0.00 H new ATOM 1361 N ASP A 91 0.879 10.556 -4.283 1.00 0.00 N ATOM 1362 CA ASP A 91 1.689 9.348 -4.407 1.00 0.00 C ATOM 1363 C ASP A 91 0.848 8.175 -4.907 1.00 0.00 C ATOM 1364 O ASP A 91 -0.351 8.096 -4.632 1.00 0.00 O ATOM 1365 CB ASP A 91 2.332 8.995 -3.059 1.00 0.00 C ATOM 1366 CG ASP A 91 3.757 8.485 -3.195 1.00 0.00 C ATOM 1367 OD1 ASP A 91 4.121 7.998 -4.289 1.00 0.00 O ATOM 1368 OD2 ASP A 91 4.513 8.572 -2.207 1.00 0.00 O ATOM 0 H ASP A 91 0.540 10.739 -3.338 1.00 0.00 H new ATOM 0 HA ASP A 91 2.476 9.543 -5.136 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.327 9.877 -2.419 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.727 8.237 -2.562 1.00 0.00 H new ATOM 1373 N THR A 92 1.489 7.266 -5.638 1.00 0.00 N ATOM 1374 CA THR A 92 0.810 6.093 -6.175 1.00 0.00 C ATOM 1375 C THR A 92 1.443 4.816 -5.630 1.00 0.00 C ATOM 1376 O THR A 92 2.667 4.680 -5.616 1.00 0.00 O ATOM 1377 CB THR A 92 0.859 6.100 -7.709 1.00 0.00 C ATOM 1378 OG1 THR A 92 0.302 7.298 -8.233 1.00 0.00 O ATOM 1379 CG2 THR A 92 0.122 4.937 -8.341 1.00 0.00 C ATOM 0 H THR A 92 2.480 7.321 -5.872 1.00 0.00 H new ATOM 0 HA THR A 92 -0.234 6.125 -5.862 1.00 0.00 H new ATOM 0 HB THR A 92 1.917 6.018 -7.957 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.846 7.609 -8.986 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.198 5.005 -9.426 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.565 4.000 -8.004 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.927 4.969 -8.048 1.00 0.00 H new ATOM 1387 N VAL A 93 0.604 3.888 -5.177 1.00 0.00 N ATOM 1388 CA VAL A 93 1.078 2.623 -4.626 1.00 0.00 C ATOM 1389 C VAL A 93 0.160 1.472 -5.035 1.00 0.00 C ATOM 1390 O VAL A 93 -1.058 1.538 -4.849 1.00 0.00 O ATOM 1391 CB VAL A 93 1.181 2.687 -3.083 1.00 0.00 C ATOM 1392 CG1 VAL A 93 -0.169 3.017 -2.461 1.00 0.00 C ATOM 1393 CG2 VAL A 93 1.732 1.382 -2.523 1.00 0.00 C ATOM 0 H VAL A 93 -0.411 3.990 -5.181 1.00 0.00 H new ATOM 0 HA VAL A 93 2.073 2.443 -5.033 1.00 0.00 H new ATOM 0 HB VAL A 93 1.875 3.487 -2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.070 3.056 -1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.513 3.984 -2.829 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.892 2.248 -2.732 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.796 1.450 -1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.070 0.560 -2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.725 1.200 -2.934 1.00 0.00 H new ATOM 1403 N GLU A 94 0.752 0.419 -5.603 1.00 0.00 N ATOM 1404 CA GLU A 94 -0.011 -0.742 -6.049 1.00 0.00 C ATOM 1405 C GLU A 94 0.577 -2.037 -5.496 1.00 0.00 C ATOM 1406 O GLU A 94 1.795 -2.168 -5.353 1.00 0.00 O ATOM 1407 CB GLU A 94 -0.045 -0.803 -7.580 1.00 0.00 C ATOM 1408 CG GLU A 94 -0.418 0.519 -8.233 1.00 0.00 C ATOM 1409 CD GLU A 94 0.183 0.686 -9.615 1.00 0.00 C ATOM 1410 OE1 GLU A 94 1.426 0.643 -9.734 1.00 0.00 O ATOM 1411 OE2 GLU A 94 -0.590 0.864 -10.579 1.00 0.00 O ATOM 0 H GLU A 94 1.757 0.349 -5.764 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.027 -0.636 -5.669 1.00 0.00 H new ATOM 0 HB2 GLU A 94 0.933 -1.116 -7.945 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.759 -1.566 -7.889 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.503 0.590 -8.304 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.086 1.339 -7.597 1.00 0.00 H new ATOM 1418 N PHE A 95 -0.299 -2.991 -5.194 1.00 0.00 N ATOM 1419 CA PHE A 95 0.115 -4.286 -4.662 1.00 0.00 C ATOM 1420 C PHE A 95 -0.403 -5.414 -5.554 1.00 0.00 C ATOM 1421 O PHE A 95 -1.593 -5.736 -5.534 1.00 0.00 O ATOM 1422 CB PHE A 95 -0.402 -4.462 -3.230 1.00 0.00 C ATOM 1423 CG PHE A 95 0.049 -3.383 -2.286 1.00 0.00 C ATOM 1424 CD1 PHE A 95 1.262 -3.486 -1.623 1.00 0.00 C ATOM 1425 CD2 PHE A 95 -0.739 -2.266 -2.061 1.00 0.00 C ATOM 1426 CE1 PHE A 95 1.679 -2.496 -0.755 1.00 0.00 C ATOM 1427 CE2 PHE A 95 -0.326 -1.272 -1.195 1.00 0.00 C ATOM 1428 CZ PHE A 95 0.884 -1.388 -0.539 1.00 0.00 C ATOM 0 H PHE A 95 -1.307 -2.890 -5.310 1.00 0.00 H new ATOM 0 HA PHE A 95 1.204 -4.325 -4.647 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -1.492 -4.485 -3.247 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -0.069 -5.428 -2.849 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.888 -4.350 -1.787 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -1.688 -2.171 -2.569 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.627 -2.588 -0.245 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -0.949 -0.405 -1.031 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.207 -0.614 0.141 1.00 0.00 H new ATOM 1438 N ILE A 96 0.496 -6.000 -6.345 1.00 0.00 N ATOM 1439 CA ILE A 96 0.131 -7.082 -7.256 1.00 0.00 C ATOM 1440 C ILE A 96 0.847 -8.381 -6.889 1.00 0.00 C ATOM 1441 O ILE A 96 2.058 -8.506 -7.073 1.00 0.00 O ATOM 1442 CB ILE A 96 0.461 -6.721 -8.723 1.00 0.00 C ATOM 1443 CG1 ILE A 96 -0.067 -5.323 -9.065 1.00 0.00 C ATOM 1444 CG2 ILE A 96 -0.121 -7.758 -9.675 1.00 0.00 C ATOM 1445 CD1 ILE A 96 0.386 -4.820 -10.420 1.00 0.00 C ATOM 0 H ILE A 96 1.483 -5.742 -6.372 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.945 -7.225 -7.158 1.00 0.00 H new ATOM 0 HB ILE A 96 1.545 -6.718 -8.839 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.157 -5.338 -9.038 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.261 -4.622 -8.298 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.122 -7.486 -10.702 1.00 0.00 H new ATOM 0 HG22 ILE A 96 0.302 -8.737 -9.449 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.204 -7.794 -9.556 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.025 -3.826 -10.595 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.475 -4.772 -10.445 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.035 -5.500 -11.196 1.00 0.00 H new ATOM 1457 N SER A 97 0.087 -9.345 -6.369 1.00 0.00 N ATOM 1458 CA SER A 97 0.645 -10.637 -5.975 1.00 0.00 C ATOM 1459 C SER A 97 0.827 -11.551 -7.186 1.00 0.00 C ATOM 1460 O SER A 97 0.075 -11.463 -8.160 1.00 0.00 O ATOM 1461 CB SER A 97 -0.257 -11.318 -4.942 1.00 0.00 C ATOM 1462 OG SER A 97 -0.799 -10.373 -4.033 1.00 0.00 O ATOM 0 H SER A 97 -0.917 -9.255 -6.211 1.00 0.00 H new ATOM 0 HA SER A 97 1.623 -10.455 -5.530 1.00 0.00 H new ATOM 0 HB2 SER A 97 -1.066 -11.843 -5.451 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.314 -12.068 -4.394 1.00 0.00 H new ATOM 0 HG SER A 97 -1.372 -10.834 -3.385 1.00 0.00 H new ATOM 1468 N THR A 98 1.828 -12.427 -7.116 1.00 0.00 N ATOM 1469 CA THR A 98 2.112 -13.361 -8.203 1.00 0.00 C ATOM 1470 C THR A 98 2.155 -14.799 -7.692 1.00 0.00 C ATOM 1471 O THR A 98 1.356 -15.638 -8.111 1.00 0.00 O ATOM 1472 CB THR A 98 3.439 -13.000 -8.882 1.00 0.00 C ATOM 1473 OG1 THR A 98 4.480 -12.864 -7.927 1.00 0.00 O ATOM 1474 CG2 THR A 98 3.367 -11.714 -9.679 1.00 0.00 C ATOM 0 H THR A 98 2.456 -12.509 -6.317 1.00 0.00 H new ATOM 0 HA THR A 98 1.308 -13.284 -8.935 1.00 0.00 H new ATOM 0 HB THR A 98 3.647 -13.823 -9.566 1.00 0.00 H new ATOM 0 HG1 THR A 98 4.291 -12.100 -7.343 1.00 0.00 H new ATOM 0 HG21 THR A 98 4.337 -11.514 -10.135 1.00 0.00 H new ATOM 0 HG22 THR A 98 2.612 -11.811 -10.460 1.00 0.00 H new ATOM 0 HG23 THR A 98 3.100 -10.890 -9.017 1.00 0.00 H new