USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 866 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 45 ASN : amide:sc= -2.55! C(o=-2.8!,f=-11!) USER MOD Set 1.2: A 116 GLN : amide:sc= -0.224 K(o=-2.8,f=-3.3) USER MOD Single : A 11 THR OG1 : rot 180:sc=-0.00105 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.0887 K(o=-0.089,f=-1.8!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.0567 X(o=-0.057,f=0.0018) USER MOD Single : A 33 LYS NZ :NH3+ -121:sc= 0.0899 (180deg=-0.00064) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.794 K(o=-0.79,f=-2!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0798) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 171:sc= 0 (180deg=-0.118) USER MOD Single : A 52 SER OG : rot 31:sc= 0.166 USER MOD Single : A 59 ASN : amide:sc= -0.52 K(o=-0.52,f=-2.9!) USER MOD Single : A 70 MET CE :methyl 152:sc= -3.57! (180deg=-5.47!) USER MOD Single : A 80 ASN : amide:sc= -3.1! K(o=-3.1!,f=-2) USER MOD Single : A 81 ASN : amide:sc= -0.0112 X(o=-0.011,f=-0.078) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -0.208 X(o=-0.21,f=-0.42) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 ASN : amide:sc= -0.383 K(o=-0.38,f=-1.6) USER MOD Single : A 93 SER OG : rot -50:sc= 0.353 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot -21:sc= 1.16 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -2.78! C(o=-2.8!,f=-16!) USER MOD Single : A 115 ASN : amide:sc= -0.388 X(o=-0.39,f=0) USER MOD Single : A 117 MET CE :methyl -147:sc= -1.3 (180deg=-1.95) USER MOD ----------------------------------------------------------------- ATOM 88 N PHE A 10 1.996 -11.747 11.752 1.00 0.00 N ATOM 89 CA PHE A 10 1.510 -10.514 11.144 1.00 0.00 C ATOM 90 C PHE A 10 1.616 -9.347 12.121 1.00 0.00 C ATOM 91 O PHE A 10 1.041 -8.281 11.898 1.00 0.00 O ATOM 92 CB PHE A 10 0.060 -10.682 10.687 1.00 0.00 C ATOM 93 CG PHE A 10 -0.098 -11.617 9.522 1.00 0.00 C ATOM 94 CD1 PHE A 10 -0.036 -11.142 8.222 1.00 0.00 C ATOM 95 CD2 PHE A 10 -0.306 -12.971 9.727 1.00 0.00 C ATOM 96 CE1 PHE A 10 -0.181 -12.000 7.149 1.00 0.00 C ATOM 97 CE2 PHE A 10 -0.452 -13.834 8.658 1.00 0.00 C ATOM 98 CZ PHE A 10 -0.388 -13.348 7.367 1.00 0.00 C ATOM 0 HA PHE A 10 2.133 -10.296 10.277 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.535 -11.051 11.522 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.342 -9.706 10.416 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.128 -10.089 8.045 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.355 -13.357 10.735 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.133 -11.617 6.140 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.616 -14.887 8.832 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.500 -14.021 6.529 1.00 0.00 H new ATOM 108 N THR A 11 2.354 -9.556 13.207 1.00 0.00 N ATOM 109 CA THR A 11 2.534 -8.524 14.220 1.00 0.00 C ATOM 110 C THR A 11 3.474 -7.429 13.728 1.00 0.00 C ATOM 111 O THR A 11 4.462 -7.705 13.048 1.00 0.00 O ATOM 112 CB THR A 11 3.092 -9.113 15.529 1.00 0.00 C ATOM 113 OG1 THR A 11 4.289 -9.853 15.263 1.00 0.00 O ATOM 114 CG2 THR A 11 2.067 -10.020 16.195 1.00 0.00 C ATOM 0 H THR A 11 2.837 -10.432 13.407 1.00 0.00 H new ATOM 0 HA THR A 11 1.550 -8.096 14.413 1.00 0.00 H new ATOM 0 HB THR A 11 3.318 -8.288 16.205 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.638 -10.223 16.101 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.484 -10.424 17.118 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.168 -9.447 16.423 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.814 -10.839 15.522 1.00 0.00 H new ATOM 122 N ASP A 12 3.160 -6.186 14.076 1.00 0.00 N ATOM 123 CA ASP A 12 3.978 -5.049 13.671 1.00 0.00 C ATOM 124 C ASP A 12 5.462 -5.394 13.743 1.00 0.00 C ATOM 125 O ASP A 12 6.188 -5.259 12.758 1.00 0.00 O ATOM 126 CB ASP A 12 3.680 -3.838 14.557 1.00 0.00 C ATOM 127 CG ASP A 12 3.323 -4.233 15.977 1.00 0.00 C ATOM 128 OD1 ASP A 12 3.751 -5.322 16.415 1.00 0.00 O ATOM 129 OD2 ASP A 12 2.616 -3.454 16.650 1.00 0.00 O ATOM 0 H ASP A 12 2.345 -5.940 14.638 1.00 0.00 H new ATOM 0 HA ASP A 12 3.730 -4.804 12.638 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.549 -3.181 14.574 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.858 -3.268 14.124 1.00 0.00 H new ATOM 134 N GLN A 13 5.905 -5.839 14.914 1.00 0.00 N ATOM 135 CA GLN A 13 7.303 -6.202 15.114 1.00 0.00 C ATOM 136 C GLN A 13 7.778 -7.159 14.025 1.00 0.00 C ATOM 137 O GLN A 13 8.924 -7.090 13.579 1.00 0.00 O ATOM 138 CB GLN A 13 7.495 -6.841 16.490 1.00 0.00 C ATOM 139 CG GLN A 13 6.740 -8.149 16.664 1.00 0.00 C ATOM 140 CD GLN A 13 7.022 -8.812 17.998 1.00 0.00 C ATOM 141 OE1 GLN A 13 8.174 -8.923 18.418 1.00 0.00 O ATOM 142 NE2 GLN A 13 5.968 -9.257 18.672 1.00 0.00 N ATOM 0 H GLN A 13 5.316 -5.957 15.739 1.00 0.00 H new ATOM 0 HA GLN A 13 7.900 -5.292 15.058 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.558 -7.020 16.653 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.169 -6.138 17.257 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.670 -7.961 16.575 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.012 -8.831 15.859 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.031 -9.144 18.286 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.096 -9.712 19.576 1.00 0.00 H new ATOM 151 N LYS A 14 6.891 -8.052 13.601 1.00 0.00 N ATOM 152 CA LYS A 14 7.218 -9.023 12.564 1.00 0.00 C ATOM 153 C LYS A 14 7.207 -8.371 11.185 1.00 0.00 C ATOM 154 O LYS A 14 8.035 -8.690 10.331 1.00 0.00 O ATOM 155 CB LYS A 14 6.226 -10.188 12.596 1.00 0.00 C ATOM 156 CG LYS A 14 6.543 -11.228 13.657 1.00 0.00 C ATOM 157 CD LYS A 14 7.744 -12.073 13.267 1.00 0.00 C ATOM 158 CE LYS A 14 8.169 -12.995 14.399 1.00 0.00 C ATOM 159 NZ LYS A 14 9.192 -13.983 13.957 1.00 0.00 N ATOM 0 H LYS A 14 5.939 -8.124 13.960 1.00 0.00 H new ATOM 0 HA LYS A 14 8.221 -9.402 12.760 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.224 -9.796 12.771 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.213 -10.670 11.619 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.739 -10.732 14.607 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.677 -11.872 13.807 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.502 -12.666 12.385 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.575 -11.422 12.995 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.570 -12.401 15.220 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.297 -13.523 14.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.455 -14.592 14.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.802 -14.568 13.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.035 -13.480 13.614 1.00 0.00 H new ATOM 173 N ILE A 15 6.267 -7.456 10.976 1.00 0.00 N ATOM 174 CA ILE A 15 6.151 -6.758 9.701 1.00 0.00 C ATOM 175 C ILE A 15 7.372 -5.883 9.441 1.00 0.00 C ATOM 176 O ILE A 15 8.010 -5.984 8.393 1.00 0.00 O ATOM 177 CB ILE A 15 4.886 -5.882 9.652 1.00 0.00 C ATOM 178 CG1 ILE A 15 3.637 -6.737 9.877 1.00 0.00 C ATOM 179 CG2 ILE A 15 4.800 -5.150 8.321 1.00 0.00 C ATOM 180 CD1 ILE A 15 2.371 -5.927 10.045 1.00 0.00 C ATOM 0 H ILE A 15 5.575 -7.180 11.673 1.00 0.00 H new ATOM 0 HA ILE A 15 6.083 -7.523 8.927 1.00 0.00 H new ATOM 0 HB ILE A 15 4.944 -5.141 10.449 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.515 -7.416 9.033 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.784 -7.354 10.764 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.900 -4.535 8.302 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.677 -4.514 8.198 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.761 -5.876 7.509 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.527 -6.599 10.200 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.473 -5.267 10.907 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.199 -5.330 9.149 1.00 0.00 H new ATOM 192 N ARG A 16 7.694 -5.024 10.404 1.00 0.00 N ATOM 193 CA ARG A 16 8.839 -4.131 10.280 1.00 0.00 C ATOM 194 C ARG A 16 10.130 -4.924 10.096 1.00 0.00 C ATOM 195 O ARG A 16 11.058 -4.470 9.428 1.00 0.00 O ATOM 196 CB ARG A 16 8.950 -3.235 11.514 1.00 0.00 C ATOM 197 CG ARG A 16 9.248 -3.997 12.795 1.00 0.00 C ATOM 198 CD ARG A 16 9.495 -3.052 13.961 1.00 0.00 C ATOM 199 NE ARG A 16 10.876 -2.578 13.999 1.00 0.00 N ATOM 200 CZ ARG A 16 11.406 -1.942 15.037 1.00 0.00 C ATOM 201 NH1 ARG A 16 10.676 -1.705 16.118 1.00 0.00 N ATOM 202 NH2 ARG A 16 12.671 -1.542 14.996 1.00 0.00 N ATOM 0 H ARG A 16 7.177 -4.928 11.278 1.00 0.00 H new ATOM 0 HA ARG A 16 8.687 -3.507 9.399 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.736 -2.498 11.348 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.018 -2.684 11.638 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.412 -4.656 13.030 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.122 -4.631 12.648 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.821 -2.199 13.885 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.261 -3.561 14.896 1.00 0.00 H new ATOM 0 HE ARG A 16 11.466 -2.745 13.183 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.704 -2.012 16.154 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.087 -1.216 16.914 1.00 0.00 H new ATOM 0 HH21 ARG A 16 13.237 -1.723 14.167 1.00 0.00 H new ATOM 0 HH22 ARG A 16 13.078 -1.053 15.794 1.00 0.00 H new ATOM 216 N GLN A 17 10.179 -6.110 10.694 1.00 0.00 N ATOM 217 CA GLN A 17 11.356 -6.965 10.597 1.00 0.00 C ATOM 218 C GLN A 17 11.332 -7.781 9.308 1.00 0.00 C ATOM 219 O GLN A 17 12.380 -8.129 8.763 1.00 0.00 O ATOM 220 CB GLN A 17 11.434 -7.901 11.805 1.00 0.00 C ATOM 221 CG GLN A 17 12.113 -7.278 13.014 1.00 0.00 C ATOM 222 CD GLN A 17 12.759 -8.311 13.916 1.00 0.00 C ATOM 223 OE1 GLN A 17 12.680 -9.513 13.660 1.00 0.00 O ATOM 224 NE2 GLN A 17 13.403 -7.847 14.981 1.00 0.00 N ATOM 0 H GLN A 17 9.418 -6.500 11.250 1.00 0.00 H new ATOM 0 HA GLN A 17 12.238 -6.325 10.584 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.425 -8.207 12.083 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.974 -8.804 11.520 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.871 -6.571 12.676 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.379 -6.710 13.586 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.444 -6.843 15.155 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.857 -8.495 15.625 1.00 0.00 H new ATOM 233 N ARG A 18 10.131 -8.081 8.826 1.00 0.00 N ATOM 234 CA ARG A 18 9.971 -8.856 7.602 1.00 0.00 C ATOM 235 C ARG A 18 10.372 -8.034 6.381 1.00 0.00 C ATOM 236 O ARG A 18 11.021 -8.540 5.465 1.00 0.00 O ATOM 237 CB ARG A 18 8.523 -9.330 7.459 1.00 0.00 C ATOM 238 CG ARG A 18 8.215 -9.947 6.104 1.00 0.00 C ATOM 239 CD ARG A 18 6.997 -10.854 6.169 1.00 0.00 C ATOM 240 NE ARG A 18 7.310 -12.151 6.765 1.00 0.00 N ATOM 241 CZ ARG A 18 6.387 -13.017 7.168 1.00 0.00 C ATOM 242 NH1 ARG A 18 5.100 -12.726 7.041 1.00 0.00 N ATOM 243 NH2 ARG A 18 6.752 -14.176 7.700 1.00 0.00 N ATOM 0 H ARG A 18 9.254 -7.799 9.264 1.00 0.00 H new ATOM 0 HA ARG A 18 10.626 -9.725 7.664 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.310 -10.061 8.239 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.855 -8.485 7.624 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.043 -9.156 5.374 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.077 -10.518 5.758 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.214 -10.368 6.750 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.602 -11.003 5.164 1.00 0.00 H new ATOM 0 HE ARG A 18 8.291 -12.405 6.878 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.816 -11.835 6.633 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.393 -13.393 7.351 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.742 -14.402 7.800 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.043 -14.841 8.009 1.00 0.00 H new ATOM 257 N TYR A 19 9.980 -6.765 6.375 1.00 0.00 N ATOM 258 CA TYR A 19 10.296 -5.873 5.265 1.00 0.00 C ATOM 259 C TYR A 19 11.437 -4.930 5.632 1.00 0.00 C ATOM 260 O TYR A 19 11.697 -3.951 4.933 1.00 0.00 O ATOM 261 CB TYR A 19 9.060 -5.065 4.865 1.00 0.00 C ATOM 262 CG TYR A 19 7.956 -5.905 4.264 1.00 0.00 C ATOM 263 CD1 TYR A 19 8.053 -6.390 2.966 1.00 0.00 C ATOM 264 CD2 TYR A 19 6.815 -6.214 4.995 1.00 0.00 C ATOM 265 CE1 TYR A 19 7.046 -7.157 2.413 1.00 0.00 C ATOM 266 CE2 TYR A 19 5.804 -6.981 4.450 1.00 0.00 C ATOM 267 CZ TYR A 19 5.923 -7.450 3.159 1.00 0.00 C ATOM 268 OH TYR A 19 4.919 -8.214 2.612 1.00 0.00 O ATOM 0 H TYR A 19 9.443 -6.331 7.126 1.00 0.00 H new ATOM 0 HA TYR A 19 10.612 -6.484 4.419 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.674 -4.548 5.744 1.00 0.00 H new ATOM 0 HB3 TYR A 19 9.354 -4.299 4.148 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.931 -6.164 2.379 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.717 -5.848 6.006 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.137 -7.525 1.402 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.924 -7.212 5.032 1.00 0.00 H new ATOM 0 HH TYR A 19 4.201 -8.329 3.269 1.00 0.00 H new ATOM 278 N ALA A 20 12.116 -5.234 6.733 1.00 0.00 N ATOM 279 CA ALA A 20 13.231 -4.416 7.193 1.00 0.00 C ATOM 280 C ALA A 20 14.369 -4.419 6.178 1.00 0.00 C ATOM 281 O ALA A 20 15.169 -3.484 6.124 1.00 0.00 O ATOM 282 CB ALA A 20 13.726 -4.910 8.545 1.00 0.00 C ATOM 0 H ALA A 20 11.913 -6.041 7.323 1.00 0.00 H new ATOM 0 HA ALA A 20 12.877 -3.391 7.300 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.559 -4.290 8.876 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.917 -4.850 9.273 1.00 0.00 H new ATOM 0 HB3 ALA A 20 14.057 -5.945 8.455 1.00 0.00 H new ATOM 288 N ASP A 21 14.437 -5.476 5.376 1.00 0.00 N ATOM 289 CA ASP A 21 15.478 -5.600 4.362 1.00 0.00 C ATOM 290 C ASP A 21 15.275 -4.579 3.247 1.00 0.00 C ATOM 291 O ASP A 21 16.223 -4.201 2.557 1.00 0.00 O ATOM 292 CB ASP A 21 15.485 -7.014 3.779 1.00 0.00 C ATOM 293 CG ASP A 21 15.783 -8.070 4.826 1.00 0.00 C ATOM 294 OD1 ASP A 21 15.467 -7.837 6.011 1.00 0.00 O ATOM 295 OD2 ASP A 21 16.333 -9.130 4.459 1.00 0.00 O ATOM 0 H ASP A 21 13.784 -6.259 5.408 1.00 0.00 H new ATOM 0 HA ASP A 21 16.439 -5.406 4.838 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.517 -7.221 3.324 1.00 0.00 H new ATOM 0 HB3 ASP A 21 16.230 -7.073 2.985 1.00 0.00 H new ATOM 300 N LEU A 22 14.035 -4.136 3.076 1.00 0.00 N ATOM 301 CA LEU A 22 13.707 -3.158 2.044 1.00 0.00 C ATOM 302 C LEU A 22 14.551 -1.898 2.200 1.00 0.00 C ATOM 303 O LEU A 22 14.990 -1.546 3.296 1.00 0.00 O ATOM 304 CB LEU A 22 12.221 -2.801 2.106 1.00 0.00 C ATOM 305 CG LEU A 22 11.243 -3.967 1.951 1.00 0.00 C ATOM 306 CD1 LEU A 22 9.831 -3.452 1.719 1.00 0.00 C ATOM 307 CD2 LEU A 22 11.675 -4.877 0.810 1.00 0.00 C ATOM 0 H LEU A 22 13.240 -4.438 3.638 1.00 0.00 H new ATOM 0 HA LEU A 22 13.927 -3.603 1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.025 -2.313 3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.011 -2.070 1.325 1.00 0.00 H new ATOM 0 HG LEU A 22 11.249 -4.547 2.874 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.149 -4.296 1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.522 -2.842 2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.808 -2.849 0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.968 -5.701 0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.698 -4.309 -0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.669 -5.274 1.017 1.00 0.00 H new ATOM 319 N PRO A 23 14.784 -1.198 1.079 1.00 0.00 N ATOM 320 CA PRO A 23 15.575 0.036 1.066 1.00 0.00 C ATOM 321 C PRO A 23 14.858 1.192 1.755 1.00 0.00 C ATOM 322 O PRO A 23 15.430 1.872 2.605 1.00 0.00 O ATOM 323 CB PRO A 23 15.750 0.329 -0.426 1.00 0.00 C ATOM 324 CG PRO A 23 14.587 -0.333 -1.081 1.00 0.00 C ATOM 325 CD PRO A 23 14.292 -1.558 -0.261 1.00 0.00 C ATOM 0 HA PRO A 23 16.515 -0.077 1.606 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.756 1.401 -0.621 1.00 0.00 H new ATOM 0 HB3 PRO A 23 16.694 -0.068 -0.799 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.725 0.333 -1.111 1.00 0.00 H new ATOM 0 HG3 PRO A 23 14.820 -0.600 -2.112 1.00 0.00 H new ATOM 0 HD2 PRO A 23 13.226 -1.787 -0.250 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.803 -2.437 -0.654 1.00 0.00 H new ATOM 333 N GLY A 24 13.599 1.408 1.383 1.00 0.00 N ATOM 334 CA GLY A 24 12.825 2.482 1.976 1.00 0.00 C ATOM 335 C GLY A 24 12.504 2.228 3.436 1.00 0.00 C ATOM 336 O GLY A 24 13.073 1.330 4.055 1.00 0.00 O ATOM 0 H GLY A 24 13.102 0.858 0.682 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.378 3.417 1.886 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.896 2.607 1.419 1.00 0.00 H new ATOM 340 N GLU A 25 11.592 3.023 3.987 1.00 0.00 N ATOM 341 CA GLU A 25 11.200 2.881 5.384 1.00 0.00 C ATOM 342 C GLU A 25 9.737 2.463 5.499 1.00 0.00 C ATOM 343 O GLU A 25 8.851 3.093 4.918 1.00 0.00 O ATOM 344 CB GLU A 25 11.426 4.194 6.137 1.00 0.00 C ATOM 345 CG GLU A 25 11.715 4.005 7.617 1.00 0.00 C ATOM 346 CD GLU A 25 13.038 3.308 7.869 1.00 0.00 C ATOM 347 OE1 GLU A 25 14.083 3.991 7.838 1.00 0.00 O ATOM 348 OE2 GLU A 25 13.028 2.080 8.096 1.00 0.00 O ATOM 0 H GLU A 25 11.111 3.771 3.488 1.00 0.00 H new ATOM 0 HA GLU A 25 11.819 2.103 5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.258 4.728 5.678 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.543 4.824 6.025 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.722 4.978 8.109 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.911 3.424 8.069 1.00 0.00 H new ATOM 355 N LEU A 26 9.490 1.395 6.250 1.00 0.00 N ATOM 356 CA LEU A 26 8.134 0.891 6.441 1.00 0.00 C ATOM 357 C LEU A 26 7.274 1.909 7.182 1.00 0.00 C ATOM 358 O LEU A 26 7.658 2.408 8.240 1.00 0.00 O ATOM 359 CB LEU A 26 8.164 -0.429 7.215 1.00 0.00 C ATOM 360 CG LEU A 26 6.905 -1.290 7.121 1.00 0.00 C ATOM 361 CD1 LEU A 26 6.943 -2.156 5.871 1.00 0.00 C ATOM 362 CD2 LEU A 26 6.755 -2.154 8.365 1.00 0.00 C ATOM 0 H LEU A 26 10.211 0.862 6.736 1.00 0.00 H new ATOM 0 HA LEU A 26 7.695 0.719 5.458 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.010 -1.017 6.858 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.351 -0.207 8.266 1.00 0.00 H new ATOM 0 HG LEU A 26 6.041 -0.629 7.055 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.039 -2.762 5.821 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.002 -1.519 4.989 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.816 -2.808 5.907 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.853 -2.760 8.280 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.623 -2.806 8.462 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.681 -1.515 9.245 1.00 0.00 H new ATOM 374 N HIS A 27 6.107 2.211 6.621 1.00 0.00 N ATOM 375 CA HIS A 27 5.191 3.167 7.230 1.00 0.00 C ATOM 376 C HIS A 27 3.768 2.616 7.257 1.00 0.00 C ATOM 377 O HIS A 27 3.095 2.561 6.227 1.00 0.00 O ATOM 378 CB HIS A 27 5.222 4.493 6.469 1.00 0.00 C ATOM 379 CG HIS A 27 6.251 5.454 6.980 1.00 0.00 C ATOM 380 ND1 HIS A 27 5.986 6.389 7.958 1.00 0.00 N ATOM 381 CD2 HIS A 27 7.552 5.619 6.646 1.00 0.00 C ATOM 382 CE1 HIS A 27 7.079 7.090 8.201 1.00 0.00 C ATOM 383 NE2 HIS A 27 8.044 6.642 7.419 1.00 0.00 N ATOM 0 H HIS A 27 5.774 1.807 5.746 1.00 0.00 H new ATOM 0 HA HIS A 27 5.515 3.338 8.256 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.415 4.293 5.415 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.239 4.960 6.530 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.101 5.052 5.909 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.168 7.893 8.918 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.000 6.998 7.393 1.00 0.00 H new ATOM 392 N ILE A 28 3.319 2.208 8.439 1.00 0.00 N ATOM 393 CA ILE A 28 1.977 1.662 8.598 1.00 0.00 C ATOM 394 C ILE A 28 1.009 2.722 9.112 1.00 0.00 C ATOM 395 O ILE A 28 1.168 3.238 10.219 1.00 0.00 O ATOM 396 CB ILE A 28 1.968 0.463 9.565 1.00 0.00 C ATOM 397 CG1 ILE A 28 2.973 -0.596 9.108 1.00 0.00 C ATOM 398 CG2 ILE A 28 0.571 -0.131 9.660 1.00 0.00 C ATOM 399 CD1 ILE A 28 3.518 -1.440 10.238 1.00 0.00 C ATOM 0 H ILE A 28 3.864 2.245 9.300 1.00 0.00 H new ATOM 0 HA ILE A 28 1.654 1.326 7.612 1.00 0.00 H new ATOM 0 HB ILE A 28 2.261 0.812 10.555 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.494 -1.248 8.377 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.802 -0.103 8.601 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.581 -0.977 10.347 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.122 0.626 10.027 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.251 -0.468 8.674 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.224 -2.169 9.840 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.026 -0.799 10.959 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.698 -1.961 10.731 1.00 0.00 H new ATOM 411 N ILE A 29 0.005 3.041 8.302 1.00 0.00 N ATOM 412 CA ILE A 29 -0.991 4.037 8.676 1.00 0.00 C ATOM 413 C ILE A 29 -2.405 3.523 8.426 1.00 0.00 C ATOM 414 O ILE A 29 -2.678 2.906 7.397 1.00 0.00 O ATOM 415 CB ILE A 29 -0.791 5.352 7.900 1.00 0.00 C ATOM 416 CG1 ILE A 29 -0.977 5.118 6.399 1.00 0.00 C ATOM 417 CG2 ILE A 29 0.587 5.931 8.184 1.00 0.00 C ATOM 418 CD1 ILE A 29 -0.947 6.389 5.581 1.00 0.00 C ATOM 0 H ILE A 29 -0.140 2.624 7.383 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.860 4.229 9.741 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.541 6.070 8.233 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.193 4.449 6.044 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.928 4.612 6.234 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.713 6.860 7.628 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.685 6.130 9.251 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.352 5.218 7.876 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.085 6.147 4.527 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.748 7.052 5.909 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.014 6.886 5.716 1.00 0.00 H new ATOM 430 N GLU A 30 -3.299 3.783 9.375 1.00 0.00 N ATOM 431 CA GLU A 30 -4.685 3.346 9.256 1.00 0.00 C ATOM 432 C GLU A 30 -5.554 4.449 8.658 1.00 0.00 C ATOM 433 O GLU A 30 -5.649 5.547 9.208 1.00 0.00 O ATOM 434 CB GLU A 30 -5.233 2.936 10.625 1.00 0.00 C ATOM 435 CG GLU A 30 -5.003 1.472 10.959 1.00 0.00 C ATOM 436 CD GLU A 30 -4.872 1.227 12.450 1.00 0.00 C ATOM 437 OE1 GLU A 30 -4.370 2.126 13.157 1.00 0.00 O ATOM 438 OE2 GLU A 30 -5.272 0.137 12.909 1.00 0.00 O ATOM 0 H GLU A 30 -3.089 4.293 10.233 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.711 2.484 8.589 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.767 3.553 11.393 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.303 3.143 10.656 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.831 0.880 10.569 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.099 1.126 10.457 1.00 0.00 H new ATOM 445 N LEU A 31 -6.185 4.149 7.528 1.00 0.00 N ATOM 446 CA LEU A 31 -7.046 5.115 6.854 1.00 0.00 C ATOM 447 C LEU A 31 -8.471 4.584 6.735 1.00 0.00 C ATOM 448 O LEU A 31 -8.707 3.546 6.119 1.00 0.00 O ATOM 449 CB LEU A 31 -6.493 5.438 5.464 1.00 0.00 C ATOM 450 CG LEU A 31 -5.009 5.801 5.401 1.00 0.00 C ATOM 451 CD1 LEU A 31 -4.565 5.982 3.957 1.00 0.00 C ATOM 452 CD2 LEU A 31 -4.734 7.062 6.207 1.00 0.00 C ATOM 0 H LEU A 31 -6.117 3.246 7.060 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.066 6.026 7.452 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.664 4.577 4.818 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.067 6.267 5.050 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.435 4.983 5.837 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.506 6.240 3.931 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.726 5.054 3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.145 6.782 3.496 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.673 7.305 6.151 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.318 7.888 5.801 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.014 6.897 7.247 1.00 0.00 H new ATOM 464 N GLU A 32 -9.417 5.306 7.328 1.00 0.00 N ATOM 465 CA GLU A 32 -10.819 4.907 7.288 1.00 0.00 C ATOM 466 C GLU A 32 -11.429 5.201 5.920 1.00 0.00 C ATOM 467 O GLU A 32 -11.517 6.356 5.501 1.00 0.00 O ATOM 468 CB GLU A 32 -11.611 5.634 8.378 1.00 0.00 C ATOM 469 CG GLU A 32 -12.798 4.841 8.898 1.00 0.00 C ATOM 470 CD GLU A 32 -13.734 5.681 9.745 1.00 0.00 C ATOM 471 OE1 GLU A 32 -14.358 6.612 9.194 1.00 0.00 O ATOM 472 OE2 GLU A 32 -13.841 5.409 10.959 1.00 0.00 O ATOM 0 H GLU A 32 -9.238 6.169 7.841 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.870 3.833 7.467 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.944 5.861 9.210 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.965 6.586 7.984 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.351 4.426 8.055 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.437 3.999 9.488 1.00 0.00 H new ATOM 479 N LYS A 33 -11.848 4.148 5.227 1.00 0.00 N ATOM 480 CA LYS A 33 -12.450 4.290 3.907 1.00 0.00 C ATOM 481 C LYS A 33 -13.452 5.440 3.887 1.00 0.00 C ATOM 482 O LYS A 33 -14.410 5.455 4.661 1.00 0.00 O ATOM 483 CB LYS A 33 -13.143 2.989 3.497 1.00 0.00 C ATOM 484 CG LYS A 33 -12.178 1.873 3.136 1.00 0.00 C ATOM 485 CD LYS A 33 -12.772 0.935 2.099 1.00 0.00 C ATOM 486 CE LYS A 33 -13.563 -0.189 2.752 1.00 0.00 C ATOM 487 NZ LYS A 33 -14.680 -0.656 1.886 1.00 0.00 N ATOM 0 H LYS A 33 -11.782 3.186 5.558 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.655 4.511 3.195 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -13.782 2.655 4.314 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -13.792 3.186 2.644 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.252 2.302 2.752 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.921 1.309 4.033 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -13.422 1.497 1.428 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.973 0.513 1.489 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.897 -1.024 2.968 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.962 0.155 3.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -15.582 -0.538 2.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -14.697 -0.097 1.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.542 -1.660 1.653 1.00 0.00 H new ATOM 501 N ASP A 34 -13.226 6.400 2.997 1.00 0.00 N ATOM 502 CA ASP A 34 -14.111 7.553 2.875 1.00 0.00 C ATOM 503 C ASP A 34 -15.377 7.187 2.105 1.00 0.00 C ATOM 504 O ASP A 34 -15.517 6.066 1.616 1.00 0.00 O ATOM 505 CB ASP A 34 -13.389 8.705 2.176 1.00 0.00 C ATOM 506 CG ASP A 34 -14.116 10.026 2.335 1.00 0.00 C ATOM 507 OD1 ASP A 34 -14.697 10.257 3.416 1.00 0.00 O ATOM 508 OD2 ASP A 34 -14.103 10.829 1.379 1.00 0.00 O ATOM 0 H ASP A 34 -12.438 6.403 2.350 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.396 7.869 3.878 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.381 8.797 2.581 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.287 8.475 1.115 1.00 0.00 H new ATOM 513 N LYS A 35 -16.296 8.141 2.002 1.00 0.00 N ATOM 514 CA LYS A 35 -17.551 7.921 1.292 1.00 0.00 C ATOM 515 C LYS A 35 -17.345 6.993 0.099 1.00 0.00 C ATOM 516 O LYS A 35 -18.199 6.162 -0.207 1.00 0.00 O ATOM 517 CB LYS A 35 -18.134 9.255 0.820 1.00 0.00 C ATOM 518 CG LYS A 35 -19.414 9.108 0.016 1.00 0.00 C ATOM 519 CD LYS A 35 -19.707 10.357 -0.798 1.00 0.00 C ATOM 520 CE LYS A 35 -18.956 10.349 -2.121 1.00 0.00 C ATOM 521 NZ LYS A 35 -19.091 11.644 -2.843 1.00 0.00 N ATOM 0 H LYS A 35 -16.195 9.074 2.401 1.00 0.00 H new ATOM 0 HA LYS A 35 -18.252 7.449 1.980 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.330 9.884 1.688 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -17.391 9.772 0.213 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -19.330 8.250 -0.650 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -20.247 8.908 0.690 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -20.778 10.426 -0.987 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -19.427 11.240 -0.225 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -17.901 10.143 -1.939 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -19.334 9.542 -2.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -18.565 11.598 -3.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -20.095 11.829 -3.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -18.707 12.411 -2.255 1.00 0.00 H new ATOM 535 N ASN A 36 -16.206 7.140 -0.569 1.00 0.00 N ATOM 536 CA ASN A 36 -15.888 6.314 -1.729 1.00 0.00 C ATOM 537 C ASN A 36 -14.879 5.230 -1.364 1.00 0.00 C ATOM 538 O ASN A 36 -14.823 4.179 -2.001 1.00 0.00 O ATOM 539 CB ASN A 36 -15.336 7.180 -2.862 1.00 0.00 C ATOM 540 CG ASN A 36 -16.302 8.272 -3.279 1.00 0.00 C ATOM 541 OD1 ASN A 36 -16.048 9.457 -3.061 1.00 0.00 O ATOM 542 ND2 ASN A 36 -17.418 7.877 -3.880 1.00 0.00 N ATOM 0 H ASN A 36 -15.488 7.823 -0.328 1.00 0.00 H new ATOM 0 HA ASN A 36 -16.807 5.832 -2.064 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -14.396 7.632 -2.545 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -15.112 6.549 -3.722 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -18.106 8.567 -4.182 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -17.587 6.884 -4.040 1.00 0.00 H new ATOM 549 N GLY A 37 -14.082 5.493 -0.333 1.00 0.00 N ATOM 550 CA GLY A 37 -13.085 4.531 0.100 1.00 0.00 C ATOM 551 C GLY A 37 -11.674 4.963 -0.246 1.00 0.00 C ATOM 552 O GLY A 37 -11.475 5.935 -0.976 1.00 0.00 O ATOM 0 H GLY A 37 -14.109 6.356 0.211 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.165 4.390 1.178 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.290 3.566 -0.364 1.00 0.00 H new ATOM 556 N LEU A 38 -10.691 4.241 0.279 1.00 0.00 N ATOM 557 CA LEU A 38 -9.289 4.555 0.023 1.00 0.00 C ATOM 558 C LEU A 38 -9.069 4.902 -1.446 1.00 0.00 C ATOM 559 O LEU A 38 -9.197 4.048 -2.322 1.00 0.00 O ATOM 560 CB LEU A 38 -8.401 3.375 0.419 1.00 0.00 C ATOM 561 CG LEU A 38 -8.827 2.603 1.669 1.00 0.00 C ATOM 562 CD1 LEU A 38 -7.768 1.581 2.052 1.00 0.00 C ATOM 563 CD2 LEU A 38 -9.090 3.560 2.822 1.00 0.00 C ATOM 0 H LEU A 38 -10.838 3.434 0.885 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.020 5.422 0.626 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.363 2.678 -0.418 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.387 3.745 0.573 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.752 2.071 1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.088 1.042 2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.629 0.877 1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.827 2.091 2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.392 2.994 3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.182 4.120 3.044 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.885 4.253 2.546 1.00 0.00 H new ATOM 575 N GLY A 39 -8.734 6.162 -1.708 1.00 0.00 N ATOM 576 CA GLY A 39 -8.498 6.599 -3.071 1.00 0.00 C ATOM 577 C GLY A 39 -7.022 6.728 -3.392 1.00 0.00 C ATOM 578 O GLY A 39 -6.373 7.692 -2.985 1.00 0.00 O ATOM 0 H GLY A 39 -8.622 6.888 -1.000 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.956 5.890 -3.761 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.987 7.560 -3.231 1.00 0.00 H new ATOM 582 N LEU A 40 -6.490 5.755 -4.123 1.00 0.00 N ATOM 583 CA LEU A 40 -5.080 5.763 -4.497 1.00 0.00 C ATOM 584 C LEU A 40 -4.878 5.131 -5.871 1.00 0.00 C ATOM 585 O LEU A 40 -5.447 4.082 -6.173 1.00 0.00 O ATOM 586 CB LEU A 40 -4.251 5.014 -3.452 1.00 0.00 C ATOM 587 CG LEU A 40 -4.384 5.507 -2.011 1.00 0.00 C ATOM 588 CD1 LEU A 40 -4.173 4.361 -1.033 1.00 0.00 C ATOM 589 CD2 LEU A 40 -3.396 6.632 -1.738 1.00 0.00 C ATOM 0 H LEU A 40 -7.013 4.951 -4.469 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.747 6.800 -4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.531 3.961 -3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.201 5.073 -3.740 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.393 5.895 -1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.271 4.731 -0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.920 3.588 -1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.176 3.942 -1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.505 6.970 -0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.380 6.270 -1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.594 7.463 -2.415 1.00 0.00 H new ATOM 601 N SER A 41 -4.062 5.776 -6.699 1.00 0.00 N ATOM 602 CA SER A 41 -3.785 5.279 -8.041 1.00 0.00 C ATOM 603 C SER A 41 -2.619 4.295 -8.027 1.00 0.00 C ATOM 604 O SER A 41 -1.487 4.661 -7.709 1.00 0.00 O ATOM 605 CB SER A 41 -3.474 6.442 -8.985 1.00 0.00 C ATOM 606 OG SER A 41 -4.629 7.227 -9.225 1.00 0.00 O ATOM 0 H SER A 41 -3.581 6.644 -6.463 1.00 0.00 H new ATOM 0 HA SER A 41 -4.673 4.758 -8.398 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.690 7.065 -8.554 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.091 6.055 -9.929 1.00 0.00 H new ATOM 0 HG SER A 41 -4.403 7.965 -9.830 1.00 0.00 H new ATOM 612 N LEU A 42 -2.904 3.044 -8.372 1.00 0.00 N ATOM 613 CA LEU A 42 -1.880 2.006 -8.400 1.00 0.00 C ATOM 614 C LEU A 42 -1.406 1.746 -9.826 1.00 0.00 C ATOM 615 O LEU A 42 -2.152 1.944 -10.784 1.00 0.00 O ATOM 616 CB LEU A 42 -2.420 0.713 -7.786 1.00 0.00 C ATOM 617 CG LEU A 42 -3.161 0.860 -6.456 1.00 0.00 C ATOM 618 CD1 LEU A 42 -3.644 -0.495 -5.962 1.00 0.00 C ATOM 619 CD2 LEU A 42 -2.266 1.520 -5.417 1.00 0.00 C ATOM 0 H LEU A 42 -3.836 2.724 -8.636 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.030 2.353 -7.812 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.094 0.247 -8.505 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.585 0.027 -7.640 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.031 1.497 -6.615 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.169 -0.371 -5.015 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.321 -0.930 -6.697 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.789 -1.156 -5.819 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.810 1.617 -4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.377 0.908 -5.261 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.969 2.508 -5.768 1.00 0.00 H new ATOM 631 N ALA A 43 -0.162 1.298 -9.958 1.00 0.00 N ATOM 632 CA ALA A 43 0.410 1.007 -11.267 1.00 0.00 C ATOM 633 C ALA A 43 1.514 -0.041 -11.163 1.00 0.00 C ATOM 634 O ALA A 43 2.324 -0.012 -10.238 1.00 0.00 O ATOM 635 CB ALA A 43 0.947 2.280 -11.904 1.00 0.00 C ATOM 0 H ALA A 43 0.469 1.129 -9.175 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.381 0.603 -11.899 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.371 2.047 -12.881 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.135 2.998 -12.022 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.720 2.708 -11.266 1.00 0.00 H new ATOM 641 N GLY A 44 1.538 -0.965 -12.118 1.00 0.00 N ATOM 642 CA GLY A 44 2.546 -2.009 -12.114 1.00 0.00 C ATOM 643 C GLY A 44 3.943 -1.468 -12.343 1.00 0.00 C ATOM 644 O GLY A 44 4.111 -0.374 -12.881 1.00 0.00 O ATOM 0 H GLY A 44 0.878 -1.009 -12.894 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.516 -2.535 -11.160 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.311 -2.739 -12.888 1.00 0.00 H new ATOM 648 N ASN A 45 4.948 -2.234 -11.933 1.00 0.00 N ATOM 649 CA ASN A 45 6.338 -1.823 -12.095 1.00 0.00 C ATOM 650 C ASN A 45 6.681 -1.632 -13.569 1.00 0.00 C ATOM 651 O ASN A 45 6.164 -2.339 -14.435 1.00 0.00 O ATOM 652 CB ASN A 45 7.274 -2.861 -11.472 1.00 0.00 C ATOM 653 CG ASN A 45 8.722 -2.412 -11.480 1.00 0.00 C ATOM 654 OD1 ASN A 45 9.222 -1.909 -12.486 1.00 0.00 O ATOM 655 ND2 ASN A 45 9.404 -2.594 -10.355 1.00 0.00 N ATOM 0 H ASN A 45 4.826 -3.143 -11.486 1.00 0.00 H new ATOM 0 HA ASN A 45 6.471 -0.870 -11.583 1.00 0.00 H new ATOM 0 HB2 ASN A 45 6.963 -3.057 -10.446 1.00 0.00 H new ATOM 0 HB3 ASN A 45 7.185 -3.801 -12.017 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.383 -2.313 -10.301 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.949 -3.015 -9.545 1.00 0.00 H new ATOM 662 N LYS A 46 7.556 -0.672 -13.848 1.00 0.00 N ATOM 663 CA LYS A 46 7.971 -0.388 -15.216 1.00 0.00 C ATOM 664 C LYS A 46 8.027 -1.668 -16.045 1.00 0.00 C ATOM 665 O LYS A 46 7.499 -1.722 -17.156 1.00 0.00 O ATOM 666 CB LYS A 46 9.338 0.298 -15.224 1.00 0.00 C ATOM 667 CG LYS A 46 9.261 1.811 -15.119 1.00 0.00 C ATOM 668 CD LYS A 46 10.617 2.418 -14.803 1.00 0.00 C ATOM 669 CE LYS A 46 10.581 3.937 -14.887 1.00 0.00 C ATOM 670 NZ LYS A 46 10.489 4.412 -16.295 1.00 0.00 N ATOM 0 H LYS A 46 7.992 -0.077 -13.144 1.00 0.00 H new ATOM 0 HA LYS A 46 7.234 0.280 -15.661 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.932 -0.085 -14.394 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.863 0.032 -16.142 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.887 2.223 -16.056 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.548 2.087 -14.342 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.928 2.115 -13.803 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.361 2.032 -15.499 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.728 4.312 -14.321 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.478 4.348 -14.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.637 5.441 -16.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.217 3.941 -16.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.548 4.186 -16.677 1.00 0.00 H new ATOM 684 N ASP A 47 8.667 -2.694 -15.496 1.00 0.00 N ATOM 685 CA ASP A 47 8.790 -3.974 -16.184 1.00 0.00 C ATOM 686 C ASP A 47 7.639 -4.904 -15.811 1.00 0.00 C ATOM 687 O ASP A 47 7.596 -5.442 -14.705 1.00 0.00 O ATOM 688 CB ASP A 47 10.126 -4.635 -15.842 1.00 0.00 C ATOM 689 CG ASP A 47 11.306 -3.903 -16.451 1.00 0.00 C ATOM 690 OD1 ASP A 47 11.225 -3.533 -17.641 1.00 0.00 O ATOM 691 OD2 ASP A 47 12.311 -3.701 -15.738 1.00 0.00 O ATOM 0 H ASP A 47 9.109 -2.665 -14.577 1.00 0.00 H new ATOM 0 HA ASP A 47 8.750 -3.787 -17.257 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.244 -4.671 -14.759 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.119 -5.666 -16.196 1.00 0.00 H new ATOM 696 N ARG A 48 6.707 -5.086 -16.741 1.00 0.00 N ATOM 697 CA ARG A 48 5.555 -5.948 -16.510 1.00 0.00 C ATOM 698 C ARG A 48 5.975 -7.246 -15.827 1.00 0.00 C ATOM 699 O ARG A 48 5.433 -7.615 -14.785 1.00 0.00 O ATOM 700 CB ARG A 48 4.850 -6.260 -17.831 1.00 0.00 C ATOM 701 CG ARG A 48 3.370 -6.569 -17.674 1.00 0.00 C ATOM 702 CD ARG A 48 2.528 -5.303 -17.725 1.00 0.00 C ATOM 703 NE ARG A 48 1.185 -5.518 -17.193 1.00 0.00 N ATOM 704 CZ ARG A 48 0.182 -4.664 -17.363 1.00 0.00 C ATOM 705 NH1 ARG A 48 0.370 -3.543 -18.046 1.00 0.00 N ATOM 706 NH2 ARG A 48 -1.012 -4.929 -16.848 1.00 0.00 N ATOM 0 H ARG A 48 6.728 -4.648 -17.662 1.00 0.00 H new ATOM 0 HA ARG A 48 4.864 -5.419 -15.854 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.966 -5.411 -18.504 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.342 -7.110 -18.303 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.054 -7.250 -18.464 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.203 -7.081 -16.726 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.022 -4.516 -17.155 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.458 -4.955 -18.756 1.00 0.00 H new ATOM 0 HE ARG A 48 1.008 -6.371 -16.662 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.287 -3.335 -18.442 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.402 -2.889 -18.175 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.160 -5.789 -16.321 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.781 -4.272 -16.979 1.00 0.00 H new ATOM 720 N SER A 49 6.945 -7.934 -16.421 1.00 0.00 N ATOM 721 CA SER A 49 7.435 -9.193 -15.873 1.00 0.00 C ATOM 722 C SER A 49 7.422 -9.163 -14.347 1.00 0.00 C ATOM 723 O SER A 49 7.081 -10.153 -13.699 1.00 0.00 O ATOM 724 CB SER A 49 8.852 -9.476 -16.376 1.00 0.00 C ATOM 725 OG SER A 49 9.310 -10.739 -15.928 1.00 0.00 O ATOM 0 H SER A 49 7.407 -7.641 -17.282 1.00 0.00 H new ATOM 0 HA SER A 49 6.772 -9.990 -16.210 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.867 -9.446 -17.465 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.528 -8.696 -16.026 1.00 0.00 H new ATOM 0 HG SER A 49 10.217 -10.896 -16.264 1.00 0.00 H new ATOM 731 N ARG A 50 7.795 -8.020 -13.781 1.00 0.00 N ATOM 732 CA ARG A 50 7.828 -7.861 -12.332 1.00 0.00 C ATOM 733 C ARG A 50 6.432 -7.575 -11.785 1.00 0.00 C ATOM 734 O ARG A 50 5.671 -6.805 -12.370 1.00 0.00 O ATOM 735 CB ARG A 50 8.781 -6.729 -11.944 1.00 0.00 C ATOM 736 CG ARG A 50 10.211 -7.189 -11.715 1.00 0.00 C ATOM 737 CD ARG A 50 11.061 -6.083 -11.108 1.00 0.00 C ATOM 738 NE ARG A 50 12.128 -6.614 -10.263 1.00 0.00 N ATOM 739 CZ ARG A 50 11.912 -7.217 -9.099 1.00 0.00 C ATOM 740 NH1 ARG A 50 10.675 -7.365 -8.645 1.00 0.00 N ATOM 741 NH2 ARG A 50 12.935 -7.674 -8.388 1.00 0.00 N ATOM 0 H ARG A 50 8.078 -7.191 -14.303 1.00 0.00 H new ATOM 0 HA ARG A 50 8.186 -8.794 -11.897 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.773 -5.973 -12.729 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.413 -6.250 -11.037 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.214 -8.056 -11.054 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.648 -7.508 -12.661 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.496 -5.481 -11.906 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.427 -5.421 -10.518 1.00 0.00 H new ATOM 0 HE ARG A 50 13.091 -6.516 -10.584 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.887 -7.016 -9.190 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.512 -7.828 -7.751 1.00 0.00 H new ATOM 0 HH21 ARG A 50 13.888 -7.562 -8.735 1.00 0.00 H new ATOM 0 HH22 ARG A 50 12.769 -8.137 -7.494 1.00 0.00 H new ATOM 755 N MET A 51 6.104 -8.202 -10.660 1.00 0.00 N ATOM 756 CA MET A 51 4.800 -8.014 -10.034 1.00 0.00 C ATOM 757 C MET A 51 4.925 -7.202 -8.749 1.00 0.00 C ATOM 758 O MET A 51 5.342 -7.721 -7.714 1.00 0.00 O ATOM 759 CB MET A 51 4.155 -9.369 -9.734 1.00 0.00 C ATOM 760 CG MET A 51 2.713 -9.264 -9.265 1.00 0.00 C ATOM 761 SD MET A 51 1.689 -8.285 -10.380 1.00 0.00 S ATOM 762 CE MET A 51 1.675 -9.331 -11.834 1.00 0.00 C ATOM 0 H MET A 51 6.722 -8.844 -10.164 1.00 0.00 H new ATOM 0 HA MET A 51 4.167 -7.464 -10.730 1.00 0.00 H new ATOM 0 HB2 MET A 51 4.193 -9.987 -10.631 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.741 -9.880 -8.970 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.291 -10.265 -9.175 1.00 0.00 H new ATOM 0 HG3 MET A 51 2.690 -8.818 -8.271 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.955 -8.943 -12.555 1.00 0.00 H new ATOM 0 HE2 MET A 51 2.668 -9.343 -12.283 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.393 -10.345 -11.550 1.00 0.00 H new ATOM 772 N SER A 52 4.562 -5.925 -8.824 1.00 0.00 N ATOM 773 CA SER A 52 4.639 -5.040 -7.667 1.00 0.00 C ATOM 774 C SER A 52 3.589 -3.937 -7.758 1.00 0.00 C ATOM 775 O SER A 52 3.220 -3.504 -8.850 1.00 0.00 O ATOM 776 CB SER A 52 6.035 -4.425 -7.561 1.00 0.00 C ATOM 777 OG SER A 52 6.892 -5.236 -6.776 1.00 0.00 O ATOM 0 H SER A 52 4.212 -5.481 -9.673 1.00 0.00 H new ATOM 0 HA SER A 52 4.443 -5.632 -6.773 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.458 -4.302 -8.558 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.965 -3.431 -7.120 1.00 0.00 H new ATOM 0 HG SER A 52 6.629 -6.176 -6.869 1.00 0.00 H new ATOM 783 N ILE A 53 3.113 -3.486 -6.602 1.00 0.00 N ATOM 784 CA ILE A 53 2.107 -2.432 -6.550 1.00 0.00 C ATOM 785 C ILE A 53 2.676 -1.159 -5.934 1.00 0.00 C ATOM 786 O ILE A 53 3.366 -1.204 -4.915 1.00 0.00 O ATOM 787 CB ILE A 53 0.872 -2.873 -5.742 1.00 0.00 C ATOM 788 CG1 ILE A 53 0.332 -4.200 -6.278 1.00 0.00 C ATOM 789 CG2 ILE A 53 -0.204 -1.798 -5.792 1.00 0.00 C ATOM 790 CD1 ILE A 53 -0.454 -4.990 -5.255 1.00 0.00 C ATOM 0 H ILE A 53 3.408 -3.834 -5.689 1.00 0.00 H new ATOM 0 HA ILE A 53 1.806 -2.231 -7.578 1.00 0.00 H new ATOM 0 HB ILE A 53 1.168 -3.016 -4.703 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.305 -4.002 -7.140 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.166 -4.806 -6.631 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.071 -2.124 -5.217 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.186 -0.873 -5.368 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.499 -1.627 -6.827 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.806 -5.918 -5.704 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.186 -5.219 -4.403 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.309 -4.402 -4.920 1.00 0.00 H new ATOM 802 N PHE A 54 2.381 -0.023 -6.557 1.00 0.00 N ATOM 803 CA PHE A 54 2.862 1.264 -6.069 1.00 0.00 C ATOM 804 C PHE A 54 1.729 2.284 -6.016 1.00 0.00 C ATOM 805 O PHE A 54 0.591 1.984 -6.379 1.00 0.00 O ATOM 806 CB PHE A 54 3.989 1.784 -6.965 1.00 0.00 C ATOM 807 CG PHE A 54 5.169 0.858 -7.041 1.00 0.00 C ATOM 808 CD1 PHE A 54 6.021 0.709 -5.958 1.00 0.00 C ATOM 809 CD2 PHE A 54 5.427 0.136 -8.195 1.00 0.00 C ATOM 810 CE1 PHE A 54 7.108 -0.142 -6.024 1.00 0.00 C ATOM 811 CE2 PHE A 54 6.512 -0.717 -8.267 1.00 0.00 C ATOM 812 CZ PHE A 54 7.354 -0.855 -7.181 1.00 0.00 C ATOM 0 H PHE A 54 1.811 0.032 -7.401 1.00 0.00 H new ATOM 0 HA PHE A 54 3.246 1.121 -5.059 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.599 1.945 -7.970 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.321 2.753 -6.592 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.833 1.265 -5.051 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.773 0.241 -9.048 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.764 -0.249 -5.173 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.701 -1.275 -9.172 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.204 -1.519 -7.236 1.00 0.00 H new ATOM 822 N VAL A 55 2.048 3.491 -5.561 1.00 0.00 N ATOM 823 CA VAL A 55 1.057 4.557 -5.460 1.00 0.00 C ATOM 824 C VAL A 55 1.433 5.741 -6.343 1.00 0.00 C ATOM 825 O VAL A 55 2.102 6.674 -5.899 1.00 0.00 O ATOM 826 CB VAL A 55 0.902 5.043 -4.007 1.00 0.00 C ATOM 827 CG1 VAL A 55 0.043 6.297 -3.952 1.00 0.00 C ATOM 828 CG2 VAL A 55 0.312 3.943 -3.137 1.00 0.00 C ATOM 0 H VAL A 55 2.985 3.756 -5.256 1.00 0.00 H new ATOM 0 HA VAL A 55 0.108 4.141 -5.799 1.00 0.00 H new ATOM 0 HB VAL A 55 1.890 5.291 -3.618 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.055 6.626 -2.917 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.512 7.086 -4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.945 6.080 -4.359 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.210 4.304 -2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.668 3.661 -3.522 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.971 3.075 -3.151 1.00 0.00 H new ATOM 838 N VAL A 56 0.996 5.698 -7.598 1.00 0.00 N ATOM 839 CA VAL A 56 1.285 6.769 -8.545 1.00 0.00 C ATOM 840 C VAL A 56 0.239 7.874 -8.460 1.00 0.00 C ATOM 841 O VAL A 56 0.050 8.639 -9.405 1.00 0.00 O ATOM 842 CB VAL A 56 1.340 6.240 -9.991 1.00 0.00 C ATOM 843 CG1 VAL A 56 2.312 5.075 -10.097 1.00 0.00 C ATOM 844 CG2 VAL A 56 -0.048 5.831 -10.461 1.00 0.00 C ATOM 0 H VAL A 56 0.441 4.933 -7.982 1.00 0.00 H new ATOM 0 HA VAL A 56 2.261 7.174 -8.277 1.00 0.00 H new ATOM 0 HB VAL A 56 1.698 7.040 -10.639 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.337 4.715 -11.125 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.309 5.405 -9.803 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.988 4.269 -9.438 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.009 5.460 -11.484 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.436 5.046 -9.811 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.713 6.694 -10.425 1.00 0.00 H new ATOM 854 N GLY A 57 -0.439 7.954 -7.318 1.00 0.00 N ATOM 855 CA GLY A 57 -1.458 8.970 -7.130 1.00 0.00 C ATOM 856 C GLY A 57 -2.229 8.785 -5.838 1.00 0.00 C ATOM 857 O GLY A 57 -2.390 7.662 -5.359 1.00 0.00 O ATOM 0 H GLY A 57 -0.300 7.333 -6.521 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.990 9.954 -7.133 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.152 8.945 -7.970 1.00 0.00 H new ATOM 861 N ILE A 58 -2.705 9.889 -5.272 1.00 0.00 N ATOM 862 CA ILE A 58 -3.462 9.843 -4.027 1.00 0.00 C ATOM 863 C ILE A 58 -4.741 10.667 -4.131 1.00 0.00 C ATOM 864 O ILE A 58 -4.735 11.874 -3.894 1.00 0.00 O ATOM 865 CB ILE A 58 -2.627 10.359 -2.841 1.00 0.00 C ATOM 866 CG1 ILE A 58 -1.387 9.485 -2.643 1.00 0.00 C ATOM 867 CG2 ILE A 58 -3.469 10.389 -1.574 1.00 0.00 C ATOM 868 CD1 ILE A 58 -0.454 9.995 -1.567 1.00 0.00 C ATOM 0 H ILE A 58 -2.580 10.826 -5.656 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.719 8.798 -3.852 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.300 11.375 -3.061 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.702 8.473 -2.389 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.842 9.422 -3.585 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.865 10.756 -0.744 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.324 11.050 -1.721 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.823 9.383 -1.348 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.403 9.327 -1.481 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.109 10.995 -1.829 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.982 10.031 -0.614 1.00 0.00 H new ATOM 880 N ASN A 59 -5.838 10.005 -4.486 1.00 0.00 N ATOM 881 CA ASN A 59 -7.126 10.676 -4.620 1.00 0.00 C ATOM 882 C ASN A 59 -7.271 11.787 -3.585 1.00 0.00 C ATOM 883 O ASN A 59 -7.245 11.551 -2.377 1.00 0.00 O ATOM 884 CB ASN A 59 -8.267 9.669 -4.467 1.00 0.00 C ATOM 885 CG ASN A 59 -9.521 10.101 -5.202 1.00 0.00 C ATOM 886 OD1 ASN A 59 -9.451 10.774 -6.230 1.00 0.00 O ATOM 887 ND2 ASN A 59 -10.678 9.713 -4.677 1.00 0.00 N ATOM 0 H ASN A 59 -5.861 9.005 -4.686 1.00 0.00 H new ATOM 0 HA ASN A 59 -7.174 11.121 -5.614 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.944 8.698 -4.844 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.495 9.540 -3.409 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.555 9.972 -5.128 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.689 9.156 -3.823 1.00 0.00 H new ATOM 894 N PRO A 60 -7.427 13.029 -4.067 1.00 0.00 N ATOM 895 CA PRO A 60 -7.581 14.201 -3.201 1.00 0.00 C ATOM 896 C PRO A 60 -8.919 14.211 -2.470 1.00 0.00 C ATOM 897 O PRO A 60 -9.164 15.063 -1.616 1.00 0.00 O ATOM 898 CB PRO A 60 -7.496 15.377 -4.177 1.00 0.00 C ATOM 899 CG PRO A 60 -7.929 14.815 -5.486 1.00 0.00 C ATOM 900 CD PRO A 60 -7.467 13.384 -5.496 1.00 0.00 C ATOM 0 HA PRO A 60 -6.828 14.227 -2.414 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.142 16.198 -3.865 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.482 15.773 -4.232 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.011 14.876 -5.598 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -7.491 15.372 -6.314 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -8.153 12.744 -6.050 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.488 13.281 -5.963 1.00 0.00 H new ATOM 908 N GLU A 61 -9.781 13.258 -2.811 1.00 0.00 N ATOM 909 CA GLU A 61 -11.095 13.159 -2.186 1.00 0.00 C ATOM 910 C GLU A 61 -11.166 11.950 -1.257 1.00 0.00 C ATOM 911 O GLU A 61 -12.130 11.782 -0.513 1.00 0.00 O ATOM 912 CB GLU A 61 -12.186 13.059 -3.255 1.00 0.00 C ATOM 913 CG GLU A 61 -12.200 14.231 -4.221 1.00 0.00 C ATOM 914 CD GLU A 61 -13.062 13.971 -5.442 1.00 0.00 C ATOM 915 OE1 GLU A 61 -14.274 13.725 -5.270 1.00 0.00 O ATOM 916 OE2 GLU A 61 -12.525 14.012 -6.568 1.00 0.00 O ATOM 0 H GLU A 61 -9.593 12.545 -3.515 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.257 14.060 -1.594 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.047 12.136 -3.818 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.158 12.991 -2.765 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.566 15.118 -3.705 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.180 14.446 -4.540 1.00 0.00 H new ATOM 923 N GLY A 62 -10.136 11.111 -1.308 1.00 0.00 N ATOM 924 CA GLY A 62 -10.100 9.929 -0.467 1.00 0.00 C ATOM 925 C GLY A 62 -9.525 10.211 0.907 1.00 0.00 C ATOM 926 O GLY A 62 -9.099 11.326 1.208 1.00 0.00 O ATOM 0 H GLY A 62 -9.326 11.229 -1.917 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.110 9.532 -0.360 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.504 9.158 -0.955 1.00 0.00 H new ATOM 930 N PRO A 63 -9.508 9.183 1.768 1.00 0.00 N ATOM 931 CA PRO A 63 -8.984 9.302 3.132 1.00 0.00 C ATOM 932 C PRO A 63 -7.469 9.475 3.158 1.00 0.00 C ATOM 933 O PRO A 63 -6.936 10.238 3.963 1.00 0.00 O ATOM 934 CB PRO A 63 -9.382 7.974 3.782 1.00 0.00 C ATOM 935 CG PRO A 63 -9.505 7.018 2.646 1.00 0.00 C ATOM 936 CD PRO A 63 -10.000 7.826 1.477 1.00 0.00 C ATOM 0 HA PRO A 63 -9.379 10.179 3.645 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.630 7.643 4.498 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.322 8.066 4.326 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -8.545 6.554 2.421 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -10.200 6.213 2.886 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.606 7.450 0.533 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.087 7.800 1.402 1.00 0.00 H new ATOM 944 N ALA A 64 -6.782 8.762 2.272 1.00 0.00 N ATOM 945 CA ALA A 64 -5.328 8.840 2.192 1.00 0.00 C ATOM 946 C ALA A 64 -4.863 10.284 2.037 1.00 0.00 C ATOM 947 O ALA A 64 -3.833 10.675 2.584 1.00 0.00 O ATOM 948 CB ALA A 64 -4.817 7.992 1.036 1.00 0.00 C ATOM 0 H ALA A 64 -7.208 8.124 1.600 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.916 8.451 3.123 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.730 8.059 0.988 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.110 6.953 1.190 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.245 8.355 0.102 1.00 0.00 H new ATOM 954 N ALA A 65 -5.629 11.070 1.288 1.00 0.00 N ATOM 955 CA ALA A 65 -5.295 12.471 1.063 1.00 0.00 C ATOM 956 C ALA A 65 -5.572 13.308 2.307 1.00 0.00 C ATOM 957 O ALA A 65 -4.790 14.191 2.659 1.00 0.00 O ATOM 958 CB ALA A 65 -6.075 13.015 -0.125 1.00 0.00 C ATOM 0 H ALA A 65 -6.485 10.761 0.827 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.229 12.534 0.844 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.816 14.062 -0.282 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.825 12.442 -1.018 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.144 12.931 0.072 1.00 0.00 H new ATOM 964 N ALA A 66 -6.689 13.025 2.969 1.00 0.00 N ATOM 965 CA ALA A 66 -7.067 13.751 4.175 1.00 0.00 C ATOM 966 C ALA A 66 -5.983 13.646 5.242 1.00 0.00 C ATOM 967 O ALA A 66 -5.501 14.657 5.753 1.00 0.00 O ATOM 968 CB ALA A 66 -8.392 13.229 4.711 1.00 0.00 C ATOM 0 H ALA A 66 -7.348 12.298 2.690 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.182 14.803 3.915 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.662 13.780 5.612 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.168 13.363 3.957 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.296 12.170 4.949 1.00 0.00 H new ATOM 974 N ASP A 67 -5.605 12.416 5.575 1.00 0.00 N ATOM 975 CA ASP A 67 -4.577 12.179 6.582 1.00 0.00 C ATOM 976 C ASP A 67 -3.313 12.970 6.265 1.00 0.00 C ATOM 977 O ASP A 67 -2.692 13.552 7.154 1.00 0.00 O ATOM 978 CB ASP A 67 -4.253 10.687 6.668 1.00 0.00 C ATOM 979 CG ASP A 67 -3.684 10.295 8.017 1.00 0.00 C ATOM 980 OD1 ASP A 67 -2.859 11.061 8.558 1.00 0.00 O ATOM 981 OD2 ASP A 67 -4.062 9.222 8.532 1.00 0.00 O ATOM 0 H ASP A 67 -5.995 11.569 5.162 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.961 12.515 7.545 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.158 10.110 6.477 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.539 10.428 5.886 1.00 0.00 H new ATOM 986 N GLY A 68 -2.935 12.987 4.990 1.00 0.00 N ATOM 987 CA GLY A 68 -1.745 13.708 4.578 1.00 0.00 C ATOM 988 C GLY A 68 -0.468 13.000 4.984 1.00 0.00 C ATOM 989 O GLY A 68 0.487 13.635 5.432 1.00 0.00 O ATOM 0 H GLY A 68 -3.432 12.514 4.235 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.758 13.835 3.496 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.759 14.706 5.016 1.00 0.00 H new ATOM 993 N ARG A 69 -0.450 11.680 4.829 1.00 0.00 N ATOM 994 CA ARG A 69 0.719 10.885 5.186 1.00 0.00 C ATOM 995 C ARG A 69 1.233 10.103 3.980 1.00 0.00 C ATOM 996 O ARG A 69 2.416 10.166 3.646 1.00 0.00 O ATOM 997 CB ARG A 69 0.378 9.921 6.324 1.00 0.00 C ATOM 998 CG ARG A 69 0.161 10.611 7.661 1.00 0.00 C ATOM 999 CD ARG A 69 0.294 9.634 8.819 1.00 0.00 C ATOM 1000 NE ARG A 69 -0.977 8.992 9.143 1.00 0.00 N ATOM 1001 CZ ARG A 69 -1.187 8.295 10.254 1.00 0.00 C ATOM 1002 NH1 ARG A 69 -0.214 8.151 11.143 1.00 0.00 N ATOM 1003 NH2 ARG A 69 -2.371 7.741 10.477 1.00 0.00 N ATOM 0 H ARG A 69 -1.231 11.139 4.459 1.00 0.00 H new ATOM 0 HA ARG A 69 1.503 11.566 5.518 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.522 9.365 6.061 1.00 0.00 H new ATOM 0 HB3 ARG A 69 1.183 9.193 6.426 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.886 11.417 7.778 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.829 11.067 7.680 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.031 8.872 8.567 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.668 10.161 9.697 1.00 0.00 H new ATOM 0 HE ARG A 69 -1.746 9.084 8.479 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.698 8.576 10.974 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -0.377 7.615 11.996 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.122 7.850 9.795 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -2.531 7.206 11.331 1.00 0.00 H new ATOM 1017 N MET A 70 0.336 9.368 3.332 1.00 0.00 N ATOM 1018 CA MET A 70 0.699 8.575 2.163 1.00 0.00 C ATOM 1019 C MET A 70 1.232 9.466 1.046 1.00 0.00 C ATOM 1020 O MET A 70 0.687 10.537 0.780 1.00 0.00 O ATOM 1021 CB MET A 70 -0.508 7.779 1.665 1.00 0.00 C ATOM 1022 CG MET A 70 -0.619 6.393 2.280 1.00 0.00 C ATOM 1023 SD MET A 70 -1.393 5.201 1.171 1.00 0.00 S ATOM 1024 CE MET A 70 0.015 4.687 0.190 1.00 0.00 C ATOM 0 H MET A 70 -0.647 9.305 3.596 1.00 0.00 H new ATOM 0 HA MET A 70 1.486 7.881 2.456 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.417 8.339 1.884 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.447 7.683 0.581 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.376 6.039 2.550 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.197 6.454 3.202 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.142 3.669 -0.166 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.128 5.356 -0.663 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.917 4.723 0.801 1.00 0.00 H new ATOM 1034 N ARG A 71 2.301 9.017 0.395 1.00 0.00 N ATOM 1035 CA ARG A 71 2.908 9.774 -0.692 1.00 0.00 C ATOM 1036 C ARG A 71 2.974 8.938 -1.967 1.00 0.00 C ATOM 1037 O ARG A 71 2.645 7.752 -1.960 1.00 0.00 O ATOM 1038 CB ARG A 71 4.312 10.236 -0.298 1.00 0.00 C ATOM 1039 CG ARG A 71 4.319 11.405 0.674 1.00 0.00 C ATOM 1040 CD ARG A 71 4.331 12.738 -0.058 1.00 0.00 C ATOM 1041 NE ARG A 71 2.998 13.128 -0.507 1.00 0.00 N ATOM 1042 CZ ARG A 71 2.756 14.210 -1.239 1.00 0.00 C ATOM 1043 NH1 ARG A 71 3.753 15.005 -1.603 1.00 0.00 N ATOM 1044 NH2 ARG A 71 1.515 14.498 -1.609 1.00 0.00 N ATOM 0 H ARG A 71 2.764 8.132 0.602 1.00 0.00 H new ATOM 0 HA ARG A 71 2.286 10.648 -0.884 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.848 9.399 0.150 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.858 10.520 -1.198 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.441 11.350 1.317 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.193 11.336 1.321 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.732 13.509 0.600 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.998 12.674 -0.917 1.00 0.00 H new ATOM 0 HE ARG A 71 2.209 12.537 -0.244 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.709 14.786 -1.321 1.00 0.00 H new ATOM 0 HH12 ARG A 71 3.564 15.835 -2.165 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.746 13.889 -1.331 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.330 15.329 -2.171 1.00 0.00 H new ATOM 1058 N ILE A 72 3.401 9.565 -3.057 1.00 0.00 N ATOM 1059 CA ILE A 72 3.511 8.878 -4.339 1.00 0.00 C ATOM 1060 C ILE A 72 4.785 8.042 -4.407 1.00 0.00 C ATOM 1061 O ILE A 72 5.880 8.537 -4.145 1.00 0.00 O ATOM 1062 CB ILE A 72 3.501 9.874 -5.514 1.00 0.00 C ATOM 1063 CG1 ILE A 72 2.369 10.889 -5.341 1.00 0.00 C ATOM 1064 CG2 ILE A 72 3.358 9.133 -6.835 1.00 0.00 C ATOM 1065 CD1 ILE A 72 1.041 10.258 -4.983 1.00 0.00 C ATOM 0 H ILE A 72 3.677 10.547 -3.079 1.00 0.00 H new ATOM 0 HA ILE A 72 2.644 8.223 -4.421 1.00 0.00 H new ATOM 0 HB ILE A 72 4.449 10.413 -5.523 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.646 11.600 -4.563 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.255 11.456 -6.265 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.353 9.850 -7.656 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.195 8.446 -6.959 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.424 8.571 -6.838 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.285 11.036 -4.876 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.742 9.568 -5.772 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.138 9.715 -4.043 1.00 0.00 H new ATOM 1077 N GLY A 73 4.632 6.770 -4.762 1.00 0.00 N ATOM 1078 CA GLY A 73 5.778 5.885 -4.861 1.00 0.00 C ATOM 1079 C GLY A 73 5.698 4.723 -3.891 1.00 0.00 C ATOM 1080 O GLY A 73 6.251 3.653 -4.147 1.00 0.00 O ATOM 0 H GLY A 73 3.735 6.337 -4.983 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.850 5.501 -5.878 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.689 6.452 -4.670 1.00 0.00 H new ATOM 1084 N ASP A 74 5.010 4.933 -2.774 1.00 0.00 N ATOM 1085 CA ASP A 74 4.860 3.894 -1.762 1.00 0.00 C ATOM 1086 C ASP A 74 4.474 2.564 -2.401 1.00 0.00 C ATOM 1087 O ASP A 74 3.679 2.523 -3.339 1.00 0.00 O ATOM 1088 CB ASP A 74 3.806 4.304 -0.732 1.00 0.00 C ATOM 1089 CG ASP A 74 4.259 5.466 0.129 1.00 0.00 C ATOM 1090 OD1 ASP A 74 5.392 5.410 0.653 1.00 0.00 O ATOM 1091 OD2 ASP A 74 3.482 6.432 0.278 1.00 0.00 O ATOM 0 H ASP A 74 4.547 5.813 -2.547 1.00 0.00 H new ATOM 0 HA ASP A 74 5.819 3.770 -1.259 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.885 4.575 -1.248 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.575 3.451 -0.094 1.00 0.00 H new ATOM 1096 N GLU A 75 5.045 1.478 -1.888 1.00 0.00 N ATOM 1097 CA GLU A 75 4.762 0.147 -2.411 1.00 0.00 C ATOM 1098 C GLU A 75 3.965 -0.676 -1.402 1.00 0.00 C ATOM 1099 O GLU A 75 4.519 -1.201 -0.436 1.00 0.00 O ATOM 1100 CB GLU A 75 6.064 -0.576 -2.759 1.00 0.00 C ATOM 1101 CG GLU A 75 5.880 -2.057 -3.045 1.00 0.00 C ATOM 1102 CD GLU A 75 7.194 -2.813 -3.073 1.00 0.00 C ATOM 1103 OE1 GLU A 75 8.154 -2.311 -3.694 1.00 0.00 O ATOM 1104 OE2 GLU A 75 7.263 -3.907 -2.475 1.00 0.00 O ATOM 0 H GLU A 75 5.706 1.494 -1.111 1.00 0.00 H new ATOM 0 HA GLU A 75 4.164 0.260 -3.316 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.513 -0.099 -3.630 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.767 -0.458 -1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.231 -2.492 -2.285 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.375 -2.178 -4.003 1.00 0.00 H new ATOM 1111 N LEU A 76 2.661 -0.782 -1.633 1.00 0.00 N ATOM 1112 CA LEU A 76 1.786 -1.540 -0.746 1.00 0.00 C ATOM 1113 C LEU A 76 2.327 -2.948 -0.520 1.00 0.00 C ATOM 1114 O LEU A 76 2.750 -3.621 -1.461 1.00 0.00 O ATOM 1115 CB LEU A 76 0.373 -1.612 -1.329 1.00 0.00 C ATOM 1116 CG LEU A 76 -0.407 -0.297 -1.360 1.00 0.00 C ATOM 1117 CD1 LEU A 76 -1.712 -0.469 -2.123 1.00 0.00 C ATOM 1118 CD2 LEU A 76 -0.675 0.198 0.053 1.00 0.00 C ATOM 0 H LEU A 76 2.186 -0.352 -2.427 1.00 0.00 H new ATOM 0 HA LEU A 76 1.750 -1.026 0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.440 -1.996 -2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.200 -2.338 -0.752 1.00 0.00 H new ATOM 0 HG LEU A 76 0.197 0.449 -1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.254 0.477 -2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.497 -0.777 -3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.321 -1.230 -1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.231 1.135 0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.259 -0.546 0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.272 0.361 0.567 1.00 0.00 H new ATOM 1130 N LEU A 77 2.309 -3.389 0.733 1.00 0.00 N ATOM 1131 CA LEU A 77 2.796 -4.719 1.084 1.00 0.00 C ATOM 1132 C LEU A 77 1.673 -5.575 1.661 1.00 0.00 C ATOM 1133 O LEU A 77 1.514 -6.738 1.292 1.00 0.00 O ATOM 1134 CB LEU A 77 3.943 -4.615 2.090 1.00 0.00 C ATOM 1135 CG LEU A 77 5.168 -3.823 1.632 1.00 0.00 C ATOM 1136 CD1 LEU A 77 5.966 -3.334 2.831 1.00 0.00 C ATOM 1137 CD2 LEU A 77 6.040 -4.670 0.718 1.00 0.00 C ATOM 0 H LEU A 77 1.962 -2.845 1.523 1.00 0.00 H new ATOM 0 HA LEU A 77 3.161 -5.197 0.175 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.559 -4.157 3.002 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.264 -5.624 2.350 1.00 0.00 H new ATOM 0 HG LEU A 77 4.826 -2.954 1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.834 -2.772 2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.339 -2.690 3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.298 -4.189 3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.907 -4.090 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.374 -5.558 1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.465 -4.970 -0.158 1.00 0.00 H new ATOM 1149 N GLU A 78 0.897 -4.990 2.568 1.00 0.00 N ATOM 1150 CA GLU A 78 -0.212 -5.700 3.195 1.00 0.00 C ATOM 1151 C GLU A 78 -1.408 -4.774 3.394 1.00 0.00 C ATOM 1152 O GLU A 78 -1.251 -3.560 3.525 1.00 0.00 O ATOM 1153 CB GLU A 78 0.223 -6.285 4.541 1.00 0.00 C ATOM 1154 CG GLU A 78 1.556 -7.013 4.485 1.00 0.00 C ATOM 1155 CD GLU A 78 1.934 -7.640 5.814 1.00 0.00 C ATOM 1156 OE1 GLU A 78 1.457 -8.758 6.100 1.00 0.00 O ATOM 1157 OE2 GLU A 78 2.707 -7.011 6.567 1.00 0.00 O ATOM 0 H GLU A 78 1.015 -4.028 2.885 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.510 -6.513 2.533 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.288 -5.480 5.273 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.544 -6.975 4.893 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.510 -7.789 3.721 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.335 -6.314 4.182 1.00 0.00 H new ATOM 1164 N ILE A 79 -2.603 -5.356 3.415 1.00 0.00 N ATOM 1165 CA ILE A 79 -3.825 -4.584 3.598 1.00 0.00 C ATOM 1166 C ILE A 79 -4.927 -5.437 4.217 1.00 0.00 C ATOM 1167 O ILE A 79 -5.151 -6.574 3.804 1.00 0.00 O ATOM 1168 CB ILE A 79 -4.329 -4.003 2.264 1.00 0.00 C ATOM 1169 CG1 ILE A 79 -3.266 -3.094 1.644 1.00 0.00 C ATOM 1170 CG2 ILE A 79 -5.629 -3.240 2.475 1.00 0.00 C ATOM 1171 CD1 ILE A 79 -3.713 -2.429 0.360 1.00 0.00 C ATOM 0 H ILE A 79 -2.750 -6.360 3.307 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.582 -3.764 4.273 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.522 -4.826 1.576 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.992 -2.325 2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.369 -3.680 1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.972 -2.836 1.523 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.385 -3.914 2.877 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.462 -2.423 3.177 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.909 -1.800 -0.023 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.960 -3.192 -0.378 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.592 -1.815 0.555 1.00 0.00 H new ATOM 1183 N ASN A 80 -5.613 -4.879 5.209 1.00 0.00 N ATOM 1184 CA ASN A 80 -6.693 -5.588 5.885 1.00 0.00 C ATOM 1185 C ASN A 80 -6.283 -7.021 6.210 1.00 0.00 C ATOM 1186 O ASN A 80 -7.093 -7.943 6.125 1.00 0.00 O ATOM 1187 CB ASN A 80 -7.952 -5.591 5.015 1.00 0.00 C ATOM 1188 CG ASN A 80 -9.153 -6.170 5.738 1.00 0.00 C ATOM 1189 OD1 ASN A 80 -9.621 -7.261 5.411 1.00 0.00 O ATOM 1190 ND2 ASN A 80 -9.658 -5.440 6.725 1.00 0.00 N ATOM 0 H ASN A 80 -5.440 -3.938 5.563 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.906 -5.069 6.819 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.177 -4.571 4.702 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.763 -6.168 4.110 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -10.467 -5.778 7.247 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -9.237 -4.541 6.961 1.00 0.00 H new ATOM 1197 N ASN A 81 -5.020 -7.199 6.583 1.00 0.00 N ATOM 1198 CA ASN A 81 -4.502 -8.520 6.922 1.00 0.00 C ATOM 1199 C ASN A 81 -4.443 -9.414 5.687 1.00 0.00 C ATOM 1200 O ASN A 81 -4.868 -10.568 5.724 1.00 0.00 O ATOM 1201 CB ASN A 81 -5.374 -9.173 7.996 1.00 0.00 C ATOM 1202 CG ASN A 81 -5.598 -8.264 9.189 1.00 0.00 C ATOM 1203 OD1 ASN A 81 -6.643 -7.624 9.309 1.00 0.00 O ATOM 1204 ND2 ASN A 81 -4.615 -8.204 10.080 1.00 0.00 N ATOM 0 H ASN A 81 -4.336 -6.446 6.658 1.00 0.00 H new ATOM 0 HA ASN A 81 -3.491 -8.398 7.310 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.337 -9.444 7.563 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.903 -10.097 8.330 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.709 -7.610 10.904 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.766 -8.752 9.940 1.00 0.00 H new ATOM 1211 N GLN A 82 -3.912 -8.871 4.595 1.00 0.00 N ATOM 1212 CA GLN A 82 -3.798 -9.620 3.349 1.00 0.00 C ATOM 1213 C GLN A 82 -2.557 -9.195 2.571 1.00 0.00 C ATOM 1214 O GLN A 82 -2.518 -8.111 1.989 1.00 0.00 O ATOM 1215 CB GLN A 82 -5.047 -9.416 2.490 1.00 0.00 C ATOM 1216 CG GLN A 82 -6.206 -10.319 2.879 1.00 0.00 C ATOM 1217 CD GLN A 82 -6.188 -11.643 2.140 1.00 0.00 C ATOM 1218 OE1 GLN A 82 -5.804 -12.672 2.695 1.00 0.00 O ATOM 1219 NE2 GLN A 82 -6.605 -11.622 0.879 1.00 0.00 N ATOM 0 H GLN A 82 -3.555 -7.917 4.548 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.705 -10.677 3.597 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.365 -8.376 2.567 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.793 -9.595 1.445 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.172 -10.506 3.952 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -7.146 -9.806 2.675 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.915 -10.746 0.459 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.615 -12.482 0.331 1.00 0.00 H new ATOM 1228 N ILE A 83 -1.544 -10.056 2.566 1.00 0.00 N ATOM 1229 CA ILE A 83 -0.302 -9.769 1.859 1.00 0.00 C ATOM 1230 C ILE A 83 -0.533 -9.689 0.354 1.00 0.00 C ATOM 1231 O ILE A 83 -1.058 -10.622 -0.256 1.00 0.00 O ATOM 1232 CB ILE A 83 0.769 -10.838 2.147 1.00 0.00 C ATOM 1233 CG1 ILE A 83 1.034 -10.933 3.651 1.00 0.00 C ATOM 1234 CG2 ILE A 83 2.052 -10.517 1.396 1.00 0.00 C ATOM 1235 CD1 ILE A 83 2.177 -11.859 4.005 1.00 0.00 C ATOM 0 H ILE A 83 -1.559 -10.957 3.043 1.00 0.00 H new ATOM 0 HA ILE A 83 0.053 -8.804 2.222 1.00 0.00 H new ATOM 0 HB ILE A 83 0.401 -11.804 1.801 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.251 -9.937 4.037 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.129 -11.279 4.150 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.799 -11.281 1.609 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.851 -10.495 0.325 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.426 -9.544 1.715 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.308 -11.878 5.087 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.954 -12.865 3.649 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.093 -11.502 3.534 1.00 0.00 H new ATOM 1247 N LEU A 84 -0.135 -8.570 -0.241 1.00 0.00 N ATOM 1248 CA LEU A 84 -0.296 -8.367 -1.677 1.00 0.00 C ATOM 1249 C LEU A 84 0.951 -8.813 -2.433 1.00 0.00 C ATOM 1250 O LEU A 84 0.865 -9.298 -3.561 1.00 0.00 O ATOM 1251 CB LEU A 84 -0.589 -6.896 -1.975 1.00 0.00 C ATOM 1252 CG LEU A 84 -1.563 -6.199 -1.024 1.00 0.00 C ATOM 1253 CD1 LEU A 84 -1.558 -4.697 -1.261 1.00 0.00 C ATOM 1254 CD2 LEU A 84 -2.967 -6.763 -1.193 1.00 0.00 C ATOM 0 H LEU A 84 0.302 -7.789 0.249 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.138 -8.973 -2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.354 -6.349 -1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.986 -6.823 -2.987 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.238 -6.385 -0.000 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.257 -4.218 -0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.555 -4.305 -1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.858 -4.490 -2.288 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.648 -6.256 -0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.301 -6.607 -2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.959 -7.830 -0.972 1.00 0.00 H new ATOM 1266 N TYR A 85 2.109 -8.647 -1.803 1.00 0.00 N ATOM 1267 CA TYR A 85 3.374 -9.032 -2.416 1.00 0.00 C ATOM 1268 C TYR A 85 3.211 -10.295 -3.257 1.00 0.00 C ATOM 1269 O TYR A 85 3.211 -11.408 -2.733 1.00 0.00 O ATOM 1270 CB TYR A 85 4.439 -9.257 -1.340 1.00 0.00 C ATOM 1271 CG TYR A 85 5.819 -9.519 -1.900 1.00 0.00 C ATOM 1272 CD1 TYR A 85 6.229 -10.809 -2.213 1.00 0.00 C ATOM 1273 CD2 TYR A 85 6.713 -8.477 -2.114 1.00 0.00 C ATOM 1274 CE1 TYR A 85 7.489 -11.054 -2.724 1.00 0.00 C ATOM 1275 CE2 TYR A 85 7.974 -8.712 -2.625 1.00 0.00 C ATOM 1276 CZ TYR A 85 8.358 -10.002 -2.929 1.00 0.00 C ATOM 1277 OH TYR A 85 9.614 -10.240 -3.437 1.00 0.00 O ATOM 0 H TYR A 85 2.197 -8.248 -0.868 1.00 0.00 H new ATOM 0 HA TYR A 85 3.693 -8.220 -3.070 1.00 0.00 H new ATOM 0 HB2 TYR A 85 4.479 -8.382 -0.692 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.142 -10.101 -0.718 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.551 -11.635 -2.054 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.416 -7.466 -1.877 1.00 0.00 H new ATOM 0 HE1 TYR A 85 7.792 -12.063 -2.962 1.00 0.00 H new ATOM 0 HE2 TYR A 85 8.656 -7.890 -2.786 1.00 0.00 H new ATOM 0 HH TYR A 85 10.099 -9.392 -3.521 1.00 0.00 H new ATOM 1287 N GLY A 86 3.071 -10.112 -4.566 1.00 0.00 N ATOM 1288 CA GLY A 86 2.909 -11.244 -5.460 1.00 0.00 C ATOM 1289 C GLY A 86 1.570 -11.234 -6.171 1.00 0.00 C ATOM 1290 O GLY A 86 1.161 -12.239 -6.752 1.00 0.00 O ATOM 0 H GLY A 86 3.067 -9.200 -5.024 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.710 -11.237 -6.200 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.008 -12.169 -4.892 1.00 0.00 H new ATOM 1294 N ARG A 87 0.885 -10.096 -6.123 1.00 0.00 N ATOM 1295 CA ARG A 87 -0.417 -9.961 -6.765 1.00 0.00 C ATOM 1296 C ARG A 87 -0.465 -8.711 -7.639 1.00 0.00 C ATOM 1297 O ARG A 87 0.460 -7.900 -7.630 1.00 0.00 O ATOM 1298 CB ARG A 87 -1.525 -9.903 -5.711 1.00 0.00 C ATOM 1299 CG ARG A 87 -1.622 -11.158 -4.860 1.00 0.00 C ATOM 1300 CD ARG A 87 -2.774 -11.073 -3.871 1.00 0.00 C ATOM 1301 NE ARG A 87 -4.030 -11.541 -4.452 1.00 0.00 N ATOM 1302 CZ ARG A 87 -4.260 -12.807 -4.781 1.00 0.00 C ATOM 1303 NH1 ARG A 87 -3.325 -13.727 -4.586 1.00 0.00 N ATOM 1304 NH2 ARG A 87 -5.428 -13.156 -5.305 1.00 0.00 N ATOM 0 H ARG A 87 1.210 -9.255 -5.646 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.574 -10.833 -7.400 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.352 -9.046 -5.061 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.480 -9.737 -6.209 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.758 -12.026 -5.505 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.687 -11.305 -4.319 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.539 -11.668 -2.989 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.891 -10.042 -3.538 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.770 -10.858 -4.614 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.426 -13.463 -4.182 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.505 -14.698 -4.840 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.150 -12.452 -5.456 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.604 -14.129 -5.557 1.00 0.00 H new ATOM 1318 N SER A 88 -1.550 -8.564 -8.392 1.00 0.00 N ATOM 1319 CA SER A 88 -1.718 -7.416 -9.275 1.00 0.00 C ATOM 1320 C SER A 88 -2.397 -6.262 -8.543 1.00 0.00 C ATOM 1321 O SER A 88 -3.206 -6.475 -7.640 1.00 0.00 O ATOM 1322 CB SER A 88 -2.538 -7.807 -10.506 1.00 0.00 C ATOM 1323 OG SER A 88 -2.670 -6.715 -11.399 1.00 0.00 O ATOM 0 H SER A 88 -2.326 -9.226 -8.408 1.00 0.00 H new ATOM 0 HA SER A 88 -0.729 -7.088 -9.596 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.058 -8.642 -11.016 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.526 -8.148 -10.196 1.00 0.00 H new ATOM 0 HG SER A 88 -3.197 -6.991 -12.178 1.00 0.00 H new ATOM 1329 N HIS A 89 -2.060 -5.038 -8.940 1.00 0.00 N ATOM 1330 CA HIS A 89 -2.637 -3.849 -8.323 1.00 0.00 C ATOM 1331 C HIS A 89 -4.162 -3.915 -8.337 1.00 0.00 C ATOM 1332 O HIS A 89 -4.824 -3.343 -7.472 1.00 0.00 O ATOM 1333 CB HIS A 89 -2.162 -2.590 -9.049 1.00 0.00 C ATOM 1334 CG HIS A 89 -2.448 -2.604 -10.519 1.00 0.00 C ATOM 1335 ND1 HIS A 89 -3.660 -2.223 -11.054 1.00 0.00 N ATOM 1336 CD2 HIS A 89 -1.668 -2.953 -11.569 1.00 0.00 C ATOM 1337 CE1 HIS A 89 -3.615 -2.340 -12.369 1.00 0.00 C ATOM 1338 NE2 HIS A 89 -2.416 -2.780 -12.707 1.00 0.00 N ATOM 0 H HIS A 89 -1.391 -4.844 -9.685 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.302 -3.809 -7.286 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -2.642 -1.719 -8.602 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.089 -2.476 -8.897 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -0.647 -3.302 -11.520 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.421 -2.114 -13.052 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -2.098 -2.962 -13.659 1.00 0.00 H new ATOM 1347 N GLN A 90 -4.710 -4.615 -9.325 1.00 0.00 N ATOM 1348 CA GLN A 90 -6.156 -4.753 -9.452 1.00 0.00 C ATOM 1349 C GLN A 90 -6.736 -5.517 -8.266 1.00 0.00 C ATOM 1350 O GLN A 90 -7.828 -5.209 -7.792 1.00 0.00 O ATOM 1351 CB GLN A 90 -6.508 -5.469 -10.757 1.00 0.00 C ATOM 1352 CG GLN A 90 -6.652 -4.533 -11.946 1.00 0.00 C ATOM 1353 CD GLN A 90 -8.038 -3.928 -12.047 1.00 0.00 C ATOM 1354 OE1 GLN A 90 -8.977 -4.572 -12.516 1.00 0.00 O ATOM 1355 NE2 GLN A 90 -8.175 -2.682 -11.607 1.00 0.00 N ATOM 0 H GLN A 90 -4.175 -5.095 -10.049 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.592 -3.754 -9.465 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -5.735 -6.206 -10.977 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.441 -6.016 -10.621 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -5.916 -3.733 -11.866 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -6.430 -5.079 -12.863 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.370 -2.184 -11.226 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.085 -2.223 -11.650 1.00 0.00 H new ATOM 1364 N ASN A 91 -5.997 -6.514 -7.793 1.00 0.00 N ATOM 1365 CA ASN A 91 -6.438 -7.323 -6.662 1.00 0.00 C ATOM 1366 C ASN A 91 -6.417 -6.511 -5.371 1.00 0.00 C ATOM 1367 O ASN A 91 -7.348 -6.577 -4.569 1.00 0.00 O ATOM 1368 CB ASN A 91 -5.550 -8.560 -6.515 1.00 0.00 C ATOM 1369 CG ASN A 91 -5.743 -9.549 -7.648 1.00 0.00 C ATOM 1370 OD1 ASN A 91 -6.385 -9.241 -8.653 1.00 0.00 O ATOM 1371 ND2 ASN A 91 -5.186 -10.744 -7.491 1.00 0.00 N ATOM 0 H ASN A 91 -5.090 -6.782 -8.175 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.463 -7.641 -6.853 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.505 -8.252 -6.480 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -5.770 -9.051 -5.567 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -5.281 -11.451 -8.220 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -4.663 -10.955 -6.641 1.00 0.00 H new ATOM 1378 N ALA A 92 -5.349 -5.744 -5.178 1.00 0.00 N ATOM 1379 CA ALA A 92 -5.207 -4.917 -3.986 1.00 0.00 C ATOM 1380 C ALA A 92 -6.503 -4.177 -3.674 1.00 0.00 C ATOM 1381 O ALA A 92 -7.079 -4.340 -2.599 1.00 0.00 O ATOM 1382 CB ALA A 92 -4.063 -3.930 -4.162 1.00 0.00 C ATOM 0 H ALA A 92 -4.569 -5.678 -5.832 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.981 -5.572 -3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.968 -3.319 -3.264 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.134 -4.476 -4.329 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.266 -3.287 -5.019 1.00 0.00 H new ATOM 1388 N SER A 93 -6.957 -3.363 -4.622 1.00 0.00 N ATOM 1389 CA SER A 93 -8.184 -2.594 -4.446 1.00 0.00 C ATOM 1390 C SER A 93 -9.341 -3.503 -4.044 1.00 0.00 C ATOM 1391 O SER A 93 -10.150 -3.153 -3.185 1.00 0.00 O ATOM 1392 CB SER A 93 -8.531 -1.846 -5.734 1.00 0.00 C ATOM 1393 OG SER A 93 -8.979 -2.740 -6.738 1.00 0.00 O ATOM 0 H SER A 93 -6.494 -3.219 -5.519 1.00 0.00 H new ATOM 0 HA SER A 93 -8.019 -1.870 -3.648 1.00 0.00 H new ATOM 0 HB2 SER A 93 -9.304 -1.105 -5.531 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.655 -1.303 -6.090 1.00 0.00 H new ATOM 0 HG SER A 93 -8.343 -3.481 -6.824 1.00 0.00 H new ATOM 1399 N ALA A 94 -9.414 -4.671 -4.674 1.00 0.00 N ATOM 1400 CA ALA A 94 -10.471 -5.631 -4.382 1.00 0.00 C ATOM 1401 C ALA A 94 -10.500 -5.982 -2.898 1.00 0.00 C ATOM 1402 O ALA A 94 -11.567 -6.051 -2.288 1.00 0.00 O ATOM 1403 CB ALA A 94 -10.288 -6.888 -5.219 1.00 0.00 C ATOM 0 H ALA A 94 -8.754 -4.975 -5.390 1.00 0.00 H new ATOM 0 HA ALA A 94 -11.426 -5.172 -4.639 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.084 -7.596 -4.991 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -10.325 -6.629 -6.277 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.323 -7.341 -4.990 1.00 0.00 H new ATOM 1409 N ILE A 95 -9.322 -6.202 -2.324 1.00 0.00 N ATOM 1410 CA ILE A 95 -9.213 -6.545 -0.911 1.00 0.00 C ATOM 1411 C ILE A 95 -9.742 -5.419 -0.030 1.00 0.00 C ATOM 1412 O ILE A 95 -10.443 -5.663 0.953 1.00 0.00 O ATOM 1413 CB ILE A 95 -7.756 -6.849 -0.516 1.00 0.00 C ATOM 1414 CG1 ILE A 95 -7.205 -7.999 -1.362 1.00 0.00 C ATOM 1415 CG2 ILE A 95 -7.667 -7.184 0.965 1.00 0.00 C ATOM 1416 CD1 ILE A 95 -5.696 -8.105 -1.328 1.00 0.00 C ATOM 0 H ILE A 95 -8.430 -6.149 -2.815 1.00 0.00 H new ATOM 0 HA ILE A 95 -9.817 -7.439 -0.756 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.151 -5.962 -0.704 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.635 -8.937 -1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.529 -7.867 -2.394 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.631 -7.396 1.228 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.024 -6.338 1.552 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -8.282 -8.058 1.178 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.376 -8.941 -1.949 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.258 -7.182 -1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.366 -8.268 -0.302 1.00 0.00 H new ATOM 1428 N ILE A 96 -9.404 -4.185 -0.389 1.00 0.00 N ATOM 1429 CA ILE A 96 -9.848 -3.021 0.367 1.00 0.00 C ATOM 1430 C ILE A 96 -11.366 -2.881 0.321 1.00 0.00 C ATOM 1431 O ILE A 96 -12.009 -2.622 1.338 1.00 0.00 O ATOM 1432 CB ILE A 96 -9.208 -1.726 -0.166 1.00 0.00 C ATOM 1433 CG1 ILE A 96 -7.712 -1.701 0.154 1.00 0.00 C ATOM 1434 CG2 ILE A 96 -9.902 -0.509 0.428 1.00 0.00 C ATOM 1435 CD1 ILE A 96 -6.938 -0.685 -0.655 1.00 0.00 C ATOM 0 H ILE A 96 -8.824 -3.966 -1.199 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.531 -3.176 1.398 1.00 0.00 H new ATOM 0 HB ILE A 96 -9.329 -1.697 -1.249 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.579 -1.486 1.214 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -7.294 -2.691 -0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.438 0.399 0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -10.957 -0.522 0.155 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -9.808 -0.531 1.514 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -5.885 -0.723 -0.376 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.040 -0.911 -1.716 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.330 0.313 -0.457 1.00 0.00 H new ATOM 1447 N LYS A 97 -11.935 -3.056 -0.868 1.00 0.00 N ATOM 1448 CA LYS A 97 -13.378 -2.952 -1.048 1.00 0.00 C ATOM 1449 C LYS A 97 -14.115 -3.872 -0.080 1.00 0.00 C ATOM 1450 O LYS A 97 -15.119 -3.485 0.519 1.00 0.00 O ATOM 1451 CB LYS A 97 -13.758 -3.301 -2.489 1.00 0.00 C ATOM 1452 CG LYS A 97 -15.000 -2.579 -2.982 1.00 0.00 C ATOM 1453 CD LYS A 97 -15.178 -2.736 -4.483 1.00 0.00 C ATOM 1454 CE LYS A 97 -14.194 -1.870 -5.255 1.00 0.00 C ATOM 1455 NZ LYS A 97 -14.721 -1.494 -6.596 1.00 0.00 N ATOM 0 H LYS A 97 -11.418 -3.270 -1.721 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.672 -1.924 -0.839 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -12.922 -3.058 -3.145 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -13.920 -4.376 -2.563 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -15.878 -2.971 -2.468 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.930 -1.520 -2.732 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -15.039 -3.781 -4.760 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -16.197 -2.466 -4.760 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.978 -0.967 -4.683 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.252 -2.406 -5.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -14.022 -0.904 -7.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.903 -2.354 -7.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.607 -0.960 -6.484 1.00 0.00 H new ATOM 1469 N THR A 98 -13.609 -5.093 0.071 1.00 0.00 N ATOM 1470 CA THR A 98 -14.219 -6.067 0.967 1.00 0.00 C ATOM 1471 C THR A 98 -13.923 -5.734 2.425 1.00 0.00 C ATOM 1472 O THR A 98 -14.671 -6.119 3.323 1.00 0.00 O ATOM 1473 CB THR A 98 -13.722 -7.494 0.667 1.00 0.00 C ATOM 1474 OG1 THR A 98 -12.313 -7.583 0.910 1.00 0.00 O ATOM 1475 CG2 THR A 98 -14.018 -7.878 -0.775 1.00 0.00 C ATOM 0 H THR A 98 -12.778 -5.430 -0.416 1.00 0.00 H new ATOM 0 HA THR A 98 -15.295 -6.022 0.798 1.00 0.00 H new ATOM 0 HB THR A 98 -14.249 -8.185 1.326 1.00 0.00 H new ATOM 0 HG1 THR A 98 -11.919 -6.686 0.883 1.00 0.00 H new ATOM 0 HG21 THR A 98 -13.658 -8.889 -0.963 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.093 -7.837 -0.949 1.00 0.00 H new ATOM 0 HG23 THR A 98 -13.515 -7.183 -1.447 1.00 0.00 H new ATOM 1483 N ALA A 99 -12.828 -5.016 2.653 1.00 0.00 N ATOM 1484 CA ALA A 99 -12.435 -4.629 4.002 1.00 0.00 C ATOM 1485 C ALA A 99 -13.385 -3.581 4.571 1.00 0.00 C ATOM 1486 O ALA A 99 -13.991 -2.796 3.841 1.00 0.00 O ATOM 1487 CB ALA A 99 -11.006 -4.108 4.007 1.00 0.00 C ATOM 0 H ALA A 99 -12.197 -4.691 1.920 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.489 -5.513 4.637 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.726 -3.823 5.021 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.333 -4.888 3.651 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -10.933 -3.239 3.353 1.00 0.00 H new ATOM 1493 N PRO A 100 -13.521 -3.565 5.905 1.00 0.00 N ATOM 1494 CA PRO A 100 -14.396 -2.617 6.601 1.00 0.00 C ATOM 1495 C PRO A 100 -13.868 -1.188 6.540 1.00 0.00 C ATOM 1496 O PRO A 100 -12.753 -0.947 6.076 1.00 0.00 O ATOM 1497 CB PRO A 100 -14.394 -3.127 8.044 1.00 0.00 C ATOM 1498 CG PRO A 100 -13.107 -3.863 8.184 1.00 0.00 C ATOM 1499 CD PRO A 100 -12.829 -4.471 6.837 1.00 0.00 C ATOM 0 HA PRO A 100 -15.388 -2.572 6.151 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -14.458 -2.303 8.755 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -15.246 -3.780 8.234 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -12.303 -3.190 8.482 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -13.179 -4.633 8.952 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -11.760 -4.520 6.631 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -13.213 -5.489 6.768 1.00 0.00 H new ATOM 1507 N SER A 101 -14.676 -0.243 7.010 1.00 0.00 N ATOM 1508 CA SER A 101 -14.291 1.163 7.006 1.00 0.00 C ATOM 1509 C SER A 101 -12.823 1.326 7.390 1.00 0.00 C ATOM 1510 O SER A 101 -12.000 1.752 6.579 1.00 0.00 O ATOM 1511 CB SER A 101 -15.173 1.959 7.970 1.00 0.00 C ATOM 1512 OG SER A 101 -16.361 2.394 7.332 1.00 0.00 O ATOM 0 H SER A 101 -15.601 -0.426 7.398 1.00 0.00 H new ATOM 0 HA SER A 101 -14.430 1.548 5.996 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.425 1.341 8.832 1.00 0.00 H new ATOM 0 HB3 SER A 101 -14.621 2.821 8.345 1.00 0.00 H new ATOM 0 HG SER A 101 -16.908 2.899 7.969 1.00 0.00 H new ATOM 1518 N LYS A 102 -12.502 0.984 8.633 1.00 0.00 N ATOM 1519 CA LYS A 102 -11.134 1.089 9.127 1.00 0.00 C ATOM 1520 C LYS A 102 -10.257 -0.011 8.539 1.00 0.00 C ATOM 1521 O LYS A 102 -10.469 -1.195 8.801 1.00 0.00 O ATOM 1522 CB LYS A 102 -11.115 1.010 10.655 1.00 0.00 C ATOM 1523 CG LYS A 102 -9.810 1.481 11.272 1.00 0.00 C ATOM 1524 CD LYS A 102 -10.019 2.017 12.679 1.00 0.00 C ATOM 1525 CE LYS A 102 -10.376 3.495 12.665 1.00 0.00 C ATOM 1526 NZ LYS A 102 -11.207 3.877 13.840 1.00 0.00 N ATOM 0 H LYS A 102 -13.171 0.631 9.317 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.734 2.053 8.814 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.933 1.612 11.052 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.300 -0.020 10.960 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.100 0.654 11.298 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.371 2.259 10.647 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.813 1.454 13.170 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -9.113 1.866 13.265 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -9.462 4.089 12.658 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.915 3.729 11.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -11.429 4.892 13.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.091 3.329 13.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -10.683 3.677 14.716 1.00 0.00 H new ATOM 1540 N VAL A 103 -9.269 0.388 7.744 1.00 0.00 N ATOM 1541 CA VAL A 103 -8.357 -0.564 7.121 1.00 0.00 C ATOM 1542 C VAL A 103 -6.906 -0.228 7.445 1.00 0.00 C ATOM 1543 O VAL A 103 -6.533 0.942 7.535 1.00 0.00 O ATOM 1544 CB VAL A 103 -8.536 -0.594 5.592 1.00 0.00 C ATOM 1545 CG1 VAL A 103 -7.678 -1.689 4.975 1.00 0.00 C ATOM 1546 CG2 VAL A 103 -10.001 -0.787 5.231 1.00 0.00 C ATOM 0 H VAL A 103 -9.080 1.364 7.516 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.599 -1.546 7.527 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.208 0.363 5.187 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.818 -1.695 3.894 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.629 -1.502 5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.972 -2.656 5.384 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -10.109 -0.806 4.147 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.357 -1.729 5.648 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.588 0.035 5.640 1.00 0.00 H new ATOM 1556 N LYS A 104 -6.090 -1.262 7.620 1.00 0.00 N ATOM 1557 CA LYS A 104 -4.678 -1.078 7.933 1.00 0.00 C ATOM 1558 C LYS A 104 -3.814 -1.293 6.694 1.00 0.00 C ATOM 1559 O LYS A 104 -3.790 -2.384 6.123 1.00 0.00 O ATOM 1560 CB LYS A 104 -4.249 -2.044 9.040 1.00 0.00 C ATOM 1561 CG LYS A 104 -2.752 -2.051 9.296 1.00 0.00 C ATOM 1562 CD LYS A 104 -2.313 -3.322 10.004 1.00 0.00 C ATOM 1563 CE LYS A 104 -0.818 -3.317 10.283 1.00 0.00 C ATOM 1564 NZ LYS A 104 -0.452 -4.276 11.361 1.00 0.00 N ATOM 0 H LYS A 104 -6.383 -2.237 7.550 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.539 -0.054 8.279 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.765 -1.778 9.962 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.568 -3.052 8.775 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.220 -1.958 8.349 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.481 -1.185 9.900 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -2.859 -3.424 10.942 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.567 -4.187 9.391 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.278 -3.572 9.371 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.505 -2.313 10.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.575 -4.243 11.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.948 -4.018 12.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.727 -5.238 11.078 1.00 0.00 H new ATOM 1578 N LEU A 105 -3.104 -0.248 6.285 1.00 0.00 N ATOM 1579 CA LEU A 105 -2.236 -0.323 5.115 1.00 0.00 C ATOM 1580 C LEU A 105 -0.768 -0.362 5.526 1.00 0.00 C ATOM 1581 O LEU A 105 -0.314 0.459 6.324 1.00 0.00 O ATOM 1582 CB LEU A 105 -2.487 0.872 4.192 1.00 0.00 C ATOM 1583 CG LEU A 105 -3.951 1.181 3.877 1.00 0.00 C ATOM 1584 CD1 LEU A 105 -4.138 2.666 3.611 1.00 0.00 C ATOM 1585 CD2 LEU A 105 -4.425 0.360 2.686 1.00 0.00 C ATOM 0 H LEU A 105 -3.112 0.662 6.746 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.468 -1.244 4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.039 1.756 4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.963 0.696 3.252 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.554 0.910 4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.186 2.867 3.389 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.839 3.234 4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.523 2.964 2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.469 0.593 2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.817 0.600 1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.329 -0.701 2.914 1.00 0.00 H new ATOM 1597 N VAL A 106 -0.030 -1.320 4.976 1.00 0.00 N ATOM 1598 CA VAL A 106 1.388 -1.465 5.283 1.00 0.00 C ATOM 1599 C VAL A 106 2.240 -1.322 4.027 1.00 0.00 C ATOM 1600 O VAL A 106 2.374 -2.263 3.244 1.00 0.00 O ATOM 1601 CB VAL A 106 1.684 -2.827 5.938 1.00 0.00 C ATOM 1602 CG1 VAL A 106 3.177 -2.988 6.185 1.00 0.00 C ATOM 1603 CG2 VAL A 106 0.902 -2.975 7.235 1.00 0.00 C ATOM 0 H VAL A 106 -0.391 -2.008 4.315 1.00 0.00 H new ATOM 0 HA VAL A 106 1.643 -0.670 5.984 1.00 0.00 H new ATOM 0 HB VAL A 106 1.366 -3.616 5.256 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.367 -3.956 6.648 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.711 -2.928 5.237 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.524 -2.195 6.847 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.123 -3.943 7.685 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.188 -2.181 7.925 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.166 -2.907 7.026 1.00 0.00 H new ATOM 1613 N PHE A 107 2.814 -0.139 3.839 1.00 0.00 N ATOM 1614 CA PHE A 107 3.654 0.129 2.677 1.00 0.00 C ATOM 1615 C PHE A 107 5.000 0.709 3.101 1.00 0.00 C ATOM 1616 O PHE A 107 5.189 1.086 4.257 1.00 0.00 O ATOM 1617 CB PHE A 107 2.948 1.093 1.722 1.00 0.00 C ATOM 1618 CG PHE A 107 2.725 2.459 2.307 1.00 0.00 C ATOM 1619 CD1 PHE A 107 3.743 3.399 2.312 1.00 0.00 C ATOM 1620 CD2 PHE A 107 1.498 2.803 2.849 1.00 0.00 C ATOM 1621 CE1 PHE A 107 3.541 4.656 2.850 1.00 0.00 C ATOM 1622 CE2 PHE A 107 1.290 4.059 3.388 1.00 0.00 C ATOM 1623 CZ PHE A 107 2.313 4.987 3.387 1.00 0.00 C ATOM 0 H PHE A 107 2.713 0.651 4.477 1.00 0.00 H new ATOM 0 HA PHE A 107 3.831 -0.815 2.163 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.540 1.188 0.811 1.00 0.00 H new ATOM 0 HB3 PHE A 107 1.986 0.668 1.434 1.00 0.00 H new ATOM 0 HD1 PHE A 107 4.705 3.147 1.891 1.00 0.00 H new ATOM 0 HD2 PHE A 107 0.694 2.082 2.851 1.00 0.00 H new ATOM 0 HE1 PHE A 107 4.343 5.379 2.850 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.329 4.314 3.809 1.00 0.00 H new ATOM 0 HZ PHE A 107 2.153 5.970 3.805 1.00 0.00 H new ATOM 1633 N ILE A 108 5.932 0.776 2.156 1.00 0.00 N ATOM 1634 CA ILE A 108 7.260 1.310 2.430 1.00 0.00 C ATOM 1635 C ILE A 108 7.527 2.568 1.611 1.00 0.00 C ATOM 1636 O ILE A 108 7.300 2.593 0.402 1.00 0.00 O ATOM 1637 CB ILE A 108 8.358 0.272 2.128 1.00 0.00 C ATOM 1638 CG1 ILE A 108 9.743 0.901 2.292 1.00 0.00 C ATOM 1639 CG2 ILE A 108 8.186 -0.286 0.723 1.00 0.00 C ATOM 1640 CD1 ILE A 108 10.826 -0.102 2.625 1.00 0.00 C ATOM 0 H ILE A 108 5.792 0.467 1.194 1.00 0.00 H new ATOM 0 HA ILE A 108 7.287 1.558 3.491 1.00 0.00 H new ATOM 0 HB ILE A 108 8.267 -0.550 2.838 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.009 1.419 1.371 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.701 1.653 3.080 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.969 -1.018 0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.211 -0.766 0.639 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.255 0.525 -0.002 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.781 0.414 2.727 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.582 -0.603 3.562 1.00 0.00 H new ATOM 0 HD13 ILE A 108 10.896 -0.841 1.826 1.00 0.00 H new ATOM 1652 N ARG A 109 8.011 3.611 2.279 1.00 0.00 N ATOM 1653 CA ARG A 109 8.309 4.873 1.613 1.00 0.00 C ATOM 1654 C ARG A 109 9.728 4.870 1.053 1.00 0.00 C ATOM 1655 O ARG A 109 10.663 5.335 1.703 1.00 0.00 O ATOM 1656 CB ARG A 109 8.135 6.041 2.586 1.00 0.00 C ATOM 1657 CG ARG A 109 8.582 7.378 2.018 1.00 0.00 C ATOM 1658 CD ARG A 109 7.442 8.091 1.308 1.00 0.00 C ATOM 1659 NE ARG A 109 6.689 8.955 2.214 1.00 0.00 N ATOM 1660 CZ ARG A 109 7.194 10.046 2.778 1.00 0.00 C ATOM 1661 NH1 ARG A 109 8.447 10.404 2.532 1.00 0.00 N ATOM 1662 NH2 ARG A 109 6.446 10.781 3.591 1.00 0.00 N ATOM 0 H ARG A 109 8.205 3.606 3.280 1.00 0.00 H new ATOM 0 HA ARG A 109 7.610 4.992 0.785 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.086 6.110 2.873 1.00 0.00 H new ATOM 0 HB3 ARG A 109 8.701 5.834 3.494 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.961 8.008 2.823 1.00 0.00 H new ATOM 0 HG3 ARG A 109 9.405 7.221 1.321 1.00 0.00 H new ATOM 0 HD2 ARG A 109 7.842 8.687 0.487 1.00 0.00 H new ATOM 0 HD3 ARG A 109 6.771 7.353 0.869 1.00 0.00 H new ATOM 0 HE ARG A 109 5.722 8.707 2.425 1.00 0.00 H new ATOM 0 HH11 ARG A 109 9.025 9.841 1.908 1.00 0.00 H new ATOM 0 HH12 ARG A 109 8.833 11.242 2.966 1.00 0.00 H new ATOM 0 HH21 ARG A 109 5.482 10.508 3.783 1.00 0.00 H new ATOM 0 HH22 ARG A 109 6.835 11.619 4.024 1.00 0.00 H new ATOM 1676 N ASN A 110 9.881 4.341 -0.157 1.00 0.00 N ATOM 1677 CA ASN A 110 11.186 4.276 -0.804 1.00 0.00 C ATOM 1678 C ASN A 110 11.308 5.341 -1.890 1.00 0.00 C ATOM 1679 O ASN A 110 10.491 5.400 -2.808 1.00 0.00 O ATOM 1680 CB ASN A 110 11.411 2.888 -1.407 1.00 0.00 C ATOM 1681 CG ASN A 110 12.669 2.822 -2.251 1.00 0.00 C ATOM 1682 OD1 ASN A 110 13.417 3.795 -2.349 1.00 0.00 O ATOM 1683 ND2 ASN A 110 12.907 1.670 -2.868 1.00 0.00 N ATOM 0 H ASN A 110 9.117 3.951 -0.709 1.00 0.00 H new ATOM 0 HA ASN A 110 11.949 4.464 -0.048 1.00 0.00 H new ATOM 0 HB2 ASN A 110 11.476 2.153 -0.605 1.00 0.00 H new ATOM 0 HB3 ASN A 110 10.551 2.617 -2.020 1.00 0.00 H new ATOM 0 HD21 ASN A 110 13.737 1.566 -3.451 1.00 0.00 H new ATOM 0 HD22 ASN A 110 12.260 0.889 -2.758 1.00 0.00 H new ATOM 1690 N GLU A 111 12.334 6.178 -1.778 1.00 0.00 N ATOM 1691 CA GLU A 111 12.563 7.240 -2.751 1.00 0.00 C ATOM 1692 C GLU A 111 12.760 6.663 -4.150 1.00 0.00 C ATOM 1693 O GLU A 111 12.255 7.206 -5.133 1.00 0.00 O ATOM 1694 CB GLU A 111 13.784 8.072 -2.354 1.00 0.00 C ATOM 1695 CG GLU A 111 15.091 7.299 -2.409 1.00 0.00 C ATOM 1696 CD GLU A 111 16.294 8.163 -2.082 1.00 0.00 C ATOM 1697 OE1 GLU A 111 16.288 8.808 -1.013 1.00 0.00 O ATOM 1698 OE2 GLU A 111 17.241 8.193 -2.896 1.00 0.00 O ATOM 0 H GLU A 111 13.020 6.142 -1.024 1.00 0.00 H new ATOM 0 HA GLU A 111 11.683 7.883 -2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 111 13.855 8.936 -3.015 1.00 0.00 H new ATOM 0 HB3 GLU A 111 13.640 8.454 -1.343 1.00 0.00 H new ATOM 0 HG2 GLU A 111 15.046 6.466 -1.708 1.00 0.00 H new ATOM 0 HG3 GLU A 111 15.215 6.872 -3.404 1.00 0.00 H new ATOM 1705 N ASP A 112 13.496 5.561 -4.230 1.00 0.00 N ATOM 1706 CA ASP A 112 13.760 4.909 -5.508 1.00 0.00 C ATOM 1707 C ASP A 112 12.474 4.351 -6.109 1.00 0.00 C ATOM 1708 O ASP A 112 12.387 4.130 -7.316 1.00 0.00 O ATOM 1709 CB ASP A 112 14.784 3.787 -5.330 1.00 0.00 C ATOM 1710 CG ASP A 112 16.207 4.307 -5.265 1.00 0.00 C ATOM 1711 OD1 ASP A 112 16.829 4.469 -6.336 1.00 0.00 O ATOM 1712 OD2 ASP A 112 16.699 4.550 -4.143 1.00 0.00 O ATOM 0 H ASP A 112 13.921 5.100 -3.425 1.00 0.00 H new ATOM 0 HA ASP A 112 14.165 5.655 -6.192 1.00 0.00 H new ATOM 0 HB2 ASP A 112 14.560 3.236 -4.417 1.00 0.00 H new ATOM 0 HB3 ASP A 112 14.695 3.083 -6.157 1.00 0.00 H new ATOM 1717 N ALA A 113 11.479 4.123 -5.258 1.00 0.00 N ATOM 1718 CA ALA A 113 10.198 3.592 -5.705 1.00 0.00 C ATOM 1719 C ALA A 113 9.661 4.381 -6.894 1.00 0.00 C ATOM 1720 O ALA A 113 9.383 3.817 -7.952 1.00 0.00 O ATOM 1721 CB ALA A 113 9.193 3.605 -4.563 1.00 0.00 C ATOM 0 H ALA A 113 11.536 4.298 -4.255 1.00 0.00 H new ATOM 0 HA ALA A 113 10.353 2.562 -6.026 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.241 3.206 -4.912 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.566 2.991 -3.743 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.051 4.628 -4.215 1.00 0.00 H new ATOM 1727 N VAL A 114 9.516 5.690 -6.713 1.00 0.00 N ATOM 1728 CA VAL A 114 9.012 6.557 -7.771 1.00 0.00 C ATOM 1729 C VAL A 114 9.642 6.208 -9.114 1.00 0.00 C ATOM 1730 O VAL A 114 8.981 6.252 -10.151 1.00 0.00 O ATOM 1731 CB VAL A 114 9.285 8.040 -7.459 1.00 0.00 C ATOM 1732 CG1 VAL A 114 8.581 8.455 -6.176 1.00 0.00 C ATOM 1733 CG2 VAL A 114 10.781 8.297 -7.362 1.00 0.00 C ATOM 0 H VAL A 114 9.741 6.173 -5.843 1.00 0.00 H new ATOM 0 HA VAL A 114 7.935 6.397 -7.825 1.00 0.00 H new ATOM 0 HB VAL A 114 8.887 8.644 -8.275 1.00 0.00 H new ATOM 0 HG11 VAL A 114 8.786 9.506 -5.972 1.00 0.00 H new ATOM 0 HG12 VAL A 114 7.506 8.310 -6.287 1.00 0.00 H new ATOM 0 HG13 VAL A 114 8.946 7.847 -5.348 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.956 9.350 -7.141 1.00 0.00 H new ATOM 0 HG22 VAL A 114 11.205 7.684 -6.566 1.00 0.00 H new ATOM 0 HG23 VAL A 114 11.256 8.041 -8.309 1.00 0.00 H new ATOM 1743 N ASN A 115 10.924 5.860 -9.088 1.00 0.00 N ATOM 1744 CA ASN A 115 11.645 5.502 -10.304 1.00 0.00 C ATOM 1745 C ASN A 115 11.174 4.153 -10.839 1.00 0.00 C ATOM 1746 O ASN A 115 11.158 3.926 -12.048 1.00 0.00 O ATOM 1747 CB ASN A 115 13.151 5.459 -10.037 1.00 0.00 C ATOM 1748 CG ASN A 115 13.720 6.828 -9.718 1.00 0.00 C ATOM 1749 OD1 ASN A 115 14.179 7.545 -10.608 1.00 0.00 O ATOM 1750 ND2 ASN A 115 13.694 7.197 -8.442 1.00 0.00 N ATOM 0 H ASN A 115 11.486 5.818 -8.238 1.00 0.00 H new ATOM 0 HA ASN A 115 11.438 6.264 -11.056 1.00 0.00 H new ATOM 0 HB2 ASN A 115 13.351 4.783 -9.206 1.00 0.00 H new ATOM 0 HB3 ASN A 115 13.661 5.051 -10.910 1.00 0.00 H new ATOM 0 HD21 ASN A 115 14.064 8.107 -8.167 1.00 0.00 H new ATOM 0 HD22 ASN A 115 13.304 6.571 -7.738 1.00 0.00 H new ATOM 1757 N GLN A 116 10.790 3.263 -9.929 1.00 0.00 N ATOM 1758 CA GLN A 116 10.319 1.937 -10.310 1.00 0.00 C ATOM 1759 C GLN A 116 8.905 2.004 -10.878 1.00 0.00 C ATOM 1760 O GLN A 116 8.685 1.724 -12.056 1.00 0.00 O ATOM 1761 CB GLN A 116 10.352 0.996 -9.105 1.00 0.00 C ATOM 1762 CG GLN A 116 11.747 0.784 -8.537 1.00 0.00 C ATOM 1763 CD GLN A 116 12.757 0.400 -9.600 1.00 0.00 C ATOM 1764 OE1 GLN A 116 12.520 -0.504 -10.402 1.00 0.00 O ATOM 1765 NE2 GLN A 116 13.894 1.087 -9.612 1.00 0.00 N ATOM 0 H GLN A 116 10.796 3.436 -8.924 1.00 0.00 H new ATOM 0 HA GLN A 116 10.984 1.551 -11.083 1.00 0.00 H new ATOM 0 HB2 GLN A 116 9.707 1.398 -8.323 1.00 0.00 H new ATOM 0 HB3 GLN A 116 9.937 0.031 -9.396 1.00 0.00 H new ATOM 0 HG2 GLN A 116 12.076 1.697 -8.041 1.00 0.00 H new ATOM 0 HG3 GLN A 116 11.711 0.004 -7.777 1.00 0.00 H new ATOM 0 HE21 GLN A 116 14.049 1.828 -8.929 1.00 0.00 H new ATOM 0 HE22 GLN A 116 14.612 0.873 -10.304 1.00 0.00 H new ATOM 1774 N MET A 117 7.950 2.377 -10.032 1.00 0.00 N ATOM 1775 CA MET A 117 6.557 2.482 -10.451 1.00 0.00 C ATOM 1776 C MET A 117 6.450 3.133 -11.827 1.00 0.00 C ATOM 1777 O MET A 117 7.008 4.205 -12.061 1.00 0.00 O ATOM 1778 CB MET A 117 5.753 3.288 -9.429 1.00 0.00 C ATOM 1779 CG MET A 117 6.462 4.546 -8.955 1.00 0.00 C ATOM 1780 SD MET A 117 6.069 5.987 -9.964 1.00 0.00 S ATOM 1781 CE MET A 117 5.371 7.084 -8.732 1.00 0.00 C ATOM 0 H MET A 117 8.115 2.611 -9.053 1.00 0.00 H new ATOM 0 HA MET A 117 6.146 1.474 -10.512 1.00 0.00 H new ATOM 0 HB2 MET A 117 4.795 3.565 -9.869 1.00 0.00 H new ATOM 0 HB3 MET A 117 5.538 2.656 -8.568 1.00 0.00 H new ATOM 0 HG2 MET A 117 6.186 4.746 -7.920 1.00 0.00 H new ATOM 0 HG3 MET A 117 7.539 4.379 -8.971 1.00 0.00 H new ATOM 0 HE1 MET A 117 4.594 7.697 -9.189 1.00 0.00 H new ATOM 0 HE2 MET A 117 4.940 6.495 -7.923 1.00 0.00 H new ATOM 0 HE3 MET A 117 6.154 7.729 -8.334 1.00 0.00 H new ATOM 1791 N ALA A 118 5.731 2.479 -12.732 1.00 0.00 N ATOM 1792 CA ALA A 118 5.550 2.995 -14.083 1.00 0.00 C ATOM 1793 C ALA A 118 5.053 4.437 -14.058 1.00 0.00 C ATOM 1794 O ALA A 118 5.559 5.291 -14.785 1.00 0.00 O ATOM 1795 CB ALA A 118 4.583 2.115 -14.860 1.00 0.00 C ATOM 0 H ALA A 118 5.264 1.590 -12.554 1.00 0.00 H new ATOM 0 HA ALA A 118 6.518 2.980 -14.583 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.458 2.513 -15.867 1.00 0.00 H new ATOM 0 HB2 ALA A 118 4.979 1.101 -14.917 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.618 2.099 -14.353 1.00 0.00 H new