USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 762 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 28 THR OG1 : rot 120:sc= -0.177 USER MOD Set 1.2: A 55 GLN : amide:sc= -1.17 K(o=-1.4,f=-0.43) USER MOD Set 2.1: A 12 GLN : amide:sc= -0.598 K(o=-1.2,f=2.3) USER MOD Set 2.2: A 16 SER OG : rot -136:sc= -0.639 USER MOD Single : A 8 HIS : no HD1:sc= -6.17! C(o=-6.2!,f=-5.9!) USER MOD Single : A 10 HIS : no HD1:sc= -1.22 X(o=-1.2,f=-1.4) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 1.2 K(o=1.2,f=-0.21) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HE2:sc= -1.89 K(o=-1.9,f=-4.2!) USER MOD Single : A 27 ASN : amide:sc= -0.223 K(o=-0.22,f=-1.8!) USER MOD Single : A 29 GLN : amide:sc= -0.918 K(o=-0.92,f=-2.6!) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.462 X(o=-0.46,f=-0.22) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.407 K(o=-0.41,f=-2.3) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot -25:sc= 0.00422 USER MOD Single : A 52 CYS SG : rot 90:sc= -2.08 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -130:sc= -0.478 (180deg=-1.61!) USER MOD Single : A 67 GLN : amide:sc= -1.6 K(o=-1.6,f=-4!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -141:sc= 1.24 (180deg=-0.791) USER MOD Single : A 74 SER OG : rot 10:sc= -0.187 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc=-0.000245 X(o=-0.00025,f=-0.26) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 68 N HIS A 8 -7.891 10.901 9.639 1.00 0.00 N ATOM 69 CA HIS A 8 -7.522 10.676 8.246 1.00 0.00 C ATOM 70 C HIS A 8 -8.457 9.660 7.592 1.00 0.00 C ATOM 71 O HIS A 8 -8.433 8.477 7.933 1.00 0.00 O ATOM 72 CB HIS A 8 -6.076 10.185 8.155 1.00 0.00 C ATOM 73 CG HIS A 8 -5.067 11.212 8.568 1.00 0.00 C ATOM 74 ND1 HIS A 8 -4.295 11.116 9.704 1.00 0.00 N ATOM 75 CD2 HIS A 8 -4.710 12.376 7.969 1.00 0.00 C ATOM 76 CE1 HIS A 8 -3.510 12.201 9.760 1.00 0.00 C ATOM 77 NE2 HIS A 8 -3.723 12.997 8.730 1.00 0.00 N ATOM 0 HA HIS A 8 -7.613 11.623 7.714 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.961 9.302 8.783 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.870 9.877 7.130 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -5.125 12.760 7.049 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -2.796 12.398 10.546 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -3.260 13.884 8.532 1.00 0.00 H new ATOM 85 N PRO A 9 -9.298 10.105 6.640 1.00 0.00 N ATOM 86 CA PRO A 9 -10.241 9.219 5.946 1.00 0.00 C ATOM 87 C PRO A 9 -9.537 8.205 5.048 1.00 0.00 C ATOM 88 O PRO A 9 -10.136 7.213 4.631 1.00 0.00 O ATOM 89 CB PRO A 9 -11.085 10.181 5.104 1.00 0.00 C ATOM 90 CG PRO A 9 -10.222 11.379 4.913 1.00 0.00 C ATOM 91 CD PRO A 9 -9.399 11.498 6.166 1.00 0.00 C ATOM 0 HA PRO A 9 -10.823 8.621 6.647 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.358 9.734 4.148 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.014 10.440 5.612 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.584 11.265 4.036 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.825 12.273 4.755 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.417 11.926 5.963 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.880 12.140 6.904 1.00 0.00 H new ATOM 99 N HIS A 10 -8.264 8.457 4.752 1.00 0.00 N ATOM 100 CA HIS A 10 -7.487 7.562 3.903 1.00 0.00 C ATOM 101 C HIS A 10 -6.682 6.575 4.742 1.00 0.00 C ATOM 102 O HIS A 10 -6.605 5.390 4.420 1.00 0.00 O ATOM 103 CB HIS A 10 -6.549 8.367 3.002 1.00 0.00 C ATOM 104 CG HIS A 10 -7.234 8.983 1.822 1.00 0.00 C ATOM 105 ND1 HIS A 10 -7.884 10.196 1.858 1.00 0.00 N ATOM 106 CD2 HIS A 10 -7.359 8.529 0.549 1.00 0.00 C ATOM 107 CE1 HIS A 10 -8.375 10.436 0.635 1.00 0.00 C ATOM 108 NE2 HIS A 10 -8.083 9.454 -0.197 1.00 0.00 N ATOM 0 H HIS A 10 -7.751 9.272 5.087 1.00 0.00 H new ATOM 0 HA HIS A 10 -8.183 6.998 3.281 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -6.080 9.155 3.591 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.750 7.715 2.648 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -6.960 7.598 0.175 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -8.937 11.318 0.365 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -8.336 9.387 -1.183 1.00 0.00 H new ATOM 116 N ILE A 11 -6.083 7.072 5.819 1.00 0.00 N ATOM 117 CA ILE A 11 -5.283 6.233 6.704 1.00 0.00 C ATOM 118 C ILE A 11 -6.169 5.339 7.565 1.00 0.00 C ATOM 119 O ILE A 11 -5.786 4.222 7.914 1.00 0.00 O ATOM 120 CB ILE A 11 -4.382 7.083 7.621 1.00 0.00 C ATOM 121 CG1 ILE A 11 -3.603 8.111 6.798 1.00 0.00 C ATOM 122 CG2 ILE A 11 -3.429 6.190 8.403 1.00 0.00 C ATOM 123 CD1 ILE A 11 -2.900 9.152 7.642 1.00 0.00 C ATOM 0 H ILE A 11 -6.136 8.051 6.100 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.655 5.610 6.067 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.013 7.618 8.331 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.865 7.591 6.187 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.288 8.612 6.114 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.799 6.805 9.046 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.002 5.494 9.015 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.802 5.631 7.709 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.368 9.848 6.993 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.635 9.697 8.234 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.190 8.662 8.308 1.00 0.00 H new ATOM 135 N GLN A 12 -7.352 5.838 7.905 1.00 0.00 N ATOM 136 CA GLN A 12 -8.292 5.083 8.725 1.00 0.00 C ATOM 137 C GLN A 12 -8.802 3.855 7.980 1.00 0.00 C ATOM 138 O GLN A 12 -9.110 2.829 8.588 1.00 0.00 O ATOM 139 CB GLN A 12 -9.469 5.970 9.136 1.00 0.00 C ATOM 140 CG GLN A 12 -10.350 5.353 10.210 1.00 0.00 C ATOM 141 CD GLN A 12 -11.773 5.121 9.738 1.00 0.00 C ATOM 142 OE1 GLN A 12 -12.674 5.904 10.040 1.00 0.00 O ATOM 143 NE2 GLN A 12 -11.982 4.042 8.993 1.00 0.00 N ATOM 0 H GLN A 12 -7.683 6.762 7.626 1.00 0.00 H new ATOM 0 HA GLN A 12 -7.767 4.749 9.620 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.085 6.924 9.497 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -10.077 6.183 8.257 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.918 4.404 10.528 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.363 6.006 11.083 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.206 3.420 8.767 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.919 3.835 8.647 1.00 0.00 H new ATOM 152 N LEU A 13 -8.889 3.965 6.658 1.00 0.00 N ATOM 153 CA LEU A 13 -9.363 2.864 5.827 1.00 0.00 C ATOM 154 C LEU A 13 -8.480 1.632 5.999 1.00 0.00 C ATOM 155 O LEU A 13 -8.952 0.499 5.895 1.00 0.00 O ATOM 156 CB LEU A 13 -9.392 3.284 4.357 1.00 0.00 C ATOM 157 CG LEU A 13 -10.572 4.173 3.961 1.00 0.00 C ATOM 158 CD1 LEU A 13 -10.404 4.680 2.537 1.00 0.00 C ATOM 159 CD2 LEU A 13 -11.882 3.415 4.109 1.00 0.00 C ATOM 0 H LEU A 13 -8.637 4.806 6.139 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.374 2.610 6.146 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.466 3.811 4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.409 2.386 3.739 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.596 5.033 4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.253 5.311 2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.484 5.260 2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.354 3.833 1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -12.711 4.062 3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -11.869 2.536 3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.006 3.102 5.146 1.00 0.00 H new ATOM 171 N LEU A 14 -7.198 1.859 6.262 1.00 0.00 N ATOM 172 CA LEU A 14 -6.251 0.767 6.449 1.00 0.00 C ATOM 173 C LEU A 14 -6.348 0.195 7.859 1.00 0.00 C ATOM 174 O LEU A 14 -6.410 -1.020 8.044 1.00 0.00 O ATOM 175 CB LEU A 14 -4.824 1.249 6.180 1.00 0.00 C ATOM 176 CG LEU A 14 -4.607 1.899 4.812 1.00 0.00 C ATOM 177 CD1 LEU A 14 -3.567 3.005 4.905 1.00 0.00 C ATOM 178 CD2 LEU A 14 -4.188 0.855 3.788 1.00 0.00 C ATOM 0 H LEU A 14 -6.791 2.790 6.351 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.502 -0.021 5.739 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.547 1.965 6.954 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.146 0.400 6.274 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.549 2.341 4.487 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.426 3.455 3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.907 3.766 5.608 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.622 2.587 5.252 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.038 1.334 2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.258 0.384 4.108 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.967 0.098 3.701 1.00 0.00 H new ATOM 190 N LYS A 15 -6.361 1.080 8.851 1.00 0.00 N ATOM 191 CA LYS A 15 -6.451 0.662 10.246 1.00 0.00 C ATOM 192 C LYS A 15 -7.728 -0.136 10.496 1.00 0.00 C ATOM 193 O LYS A 15 -7.705 -1.167 11.167 1.00 0.00 O ATOM 194 CB LYS A 15 -6.409 1.883 11.168 1.00 0.00 C ATOM 195 CG LYS A 15 -5.118 2.678 11.067 1.00 0.00 C ATOM 196 CD LYS A 15 -5.235 4.021 11.769 1.00 0.00 C ATOM 197 CE LYS A 15 -3.978 4.856 11.584 1.00 0.00 C ATOM 198 NZ LYS A 15 -3.686 5.695 12.779 1.00 0.00 N ATOM 0 H LYS A 15 -6.310 2.090 8.715 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.597 0.020 10.463 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.248 2.537 10.930 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.544 1.554 12.199 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.302 2.106 11.508 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.867 2.835 10.018 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.095 4.564 11.377 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.415 3.863 12.832 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.131 4.198 11.387 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.094 5.497 10.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.822 6.248 12.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.482 6.341 12.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.550 5.082 13.608 1.00 0.00 H new ATOM 212 N SER A 16 -8.839 0.350 9.951 1.00 0.00 N ATOM 213 CA SER A 16 -10.125 -0.318 10.115 1.00 0.00 C ATOM 214 C SER A 16 -10.168 -1.617 9.318 1.00 0.00 C ATOM 215 O SER A 16 -10.478 -2.679 9.858 1.00 0.00 O ATOM 216 CB SER A 16 -11.262 0.604 9.673 1.00 0.00 C ATOM 217 OG SER A 16 -11.181 1.861 10.321 1.00 0.00 O ATOM 0 H SER A 16 -8.874 1.203 9.393 1.00 0.00 H new ATOM 0 HA SER A 16 -10.251 -0.557 11.171 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.221 0.745 8.593 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.221 0.137 9.897 1.00 0.00 H new ATOM 0 HG SER A 16 -12.073 2.131 10.623 1.00 0.00 H new ATOM 223 N ASN A 17 -9.856 -1.525 8.029 1.00 0.00 N ATOM 224 CA ASN A 17 -9.860 -2.693 7.156 1.00 0.00 C ATOM 225 C ASN A 17 -8.472 -3.323 7.083 1.00 0.00 C ATOM 226 O ASN A 17 -7.964 -3.610 5.999 1.00 0.00 O ATOM 227 CB ASN A 17 -10.334 -2.304 5.755 1.00 0.00 C ATOM 228 CG ASN A 17 -11.622 -1.504 5.783 1.00 0.00 C ATOM 229 OD1 ASN A 17 -12.710 -2.062 5.930 1.00 0.00 O ATOM 230 ND2 ASN A 17 -11.505 -0.189 5.640 1.00 0.00 N ATOM 0 H ASN A 17 -9.597 -0.654 7.566 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.549 -3.428 7.574 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.557 -1.720 5.260 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.482 -3.206 5.161 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.337 0.401 5.649 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.583 0.231 5.521 1.00 0.00 H new ATOM 237 N ARG A 18 -7.863 -3.534 8.245 1.00 0.00 N ATOM 238 CA ARG A 18 -6.533 -4.130 8.314 1.00 0.00 C ATOM 239 C ARG A 18 -6.604 -5.643 8.140 1.00 0.00 C ATOM 240 O ARG A 18 -5.923 -6.212 7.286 1.00 0.00 O ATOM 241 CB ARG A 18 -5.866 -3.789 9.648 1.00 0.00 C ATOM 242 CG ARG A 18 -4.376 -4.086 9.678 1.00 0.00 C ATOM 243 CD ARG A 18 -3.846 -4.147 11.102 1.00 0.00 C ATOM 244 NE ARG A 18 -3.106 -2.940 11.463 1.00 0.00 N ATOM 245 CZ ARG A 18 -3.680 -1.816 11.889 1.00 0.00 C ATOM 246 NH1 ARG A 18 -5.000 -1.739 12.011 1.00 0.00 N ATOM 247 NH2 ARG A 18 -2.930 -0.766 12.194 1.00 0.00 N ATOM 0 H ARG A 18 -8.269 -3.301 9.152 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.936 -3.717 7.501 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.021 -2.732 9.862 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.356 -4.351 10.443 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.183 -5.034 9.176 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.840 -3.317 9.122 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.678 -4.282 11.793 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.197 -5.016 11.210 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.089 -2.959 11.384 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.582 -2.544 11.778 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.432 -0.875 12.338 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.916 -0.820 12.102 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.367 0.096 12.520 1.00 0.00 H new ATOM 261 N GLU A 19 -7.431 -6.290 8.955 1.00 0.00 N ATOM 262 CA GLU A 19 -7.589 -7.739 8.890 1.00 0.00 C ATOM 263 C GLU A 19 -8.327 -8.150 7.620 1.00 0.00 C ATOM 264 O GLU A 19 -8.094 -9.231 7.078 1.00 0.00 O ATOM 265 CB GLU A 19 -8.348 -8.245 10.119 1.00 0.00 C ATOM 266 CG GLU A 19 -7.614 -8.002 11.428 1.00 0.00 C ATOM 267 CD GLU A 19 -7.190 -9.289 12.109 1.00 0.00 C ATOM 268 OE1 GLU A 19 -6.357 -10.019 11.531 1.00 0.00 O ATOM 269 OE2 GLU A 19 -7.691 -9.567 13.218 1.00 0.00 O ATOM 0 H GLU A 19 -8.002 -5.835 9.667 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.596 -8.187 8.873 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.321 -7.756 10.161 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.532 -9.314 10.008 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.733 -7.389 11.237 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.257 -7.435 12.101 1.00 0.00 H new ATOM 276 N LEU A 20 -9.216 -7.282 7.150 1.00 0.00 N ATOM 277 CA LEU A 20 -9.988 -7.556 5.943 1.00 0.00 C ATOM 278 C LEU A 20 -9.095 -7.520 4.707 1.00 0.00 C ATOM 279 O LEU A 20 -9.207 -8.372 3.825 1.00 0.00 O ATOM 280 CB LEU A 20 -11.122 -6.539 5.797 1.00 0.00 C ATOM 281 CG LEU A 20 -12.120 -6.840 4.677 1.00 0.00 C ATOM 282 CD1 LEU A 20 -13.385 -7.468 5.242 1.00 0.00 C ATOM 283 CD2 LEU A 20 -12.454 -5.572 3.903 1.00 0.00 C ATOM 0 H LEU A 20 -9.420 -6.383 7.586 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.414 -8.555 6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.664 -6.484 6.741 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.687 -5.555 5.621 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.660 -7.551 3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.082 -7.675 4.430 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -13.133 -8.399 5.750 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.847 -6.781 5.951 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.165 -5.806 3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.893 -4.838 4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.544 -5.163 3.464 1.00 0.00 H new ATOM 295 N LEU A 21 -8.212 -6.530 4.649 1.00 0.00 N ATOM 296 CA LEU A 21 -7.301 -6.382 3.520 1.00 0.00 C ATOM 297 C LEU A 21 -6.377 -7.591 3.402 1.00 0.00 C ATOM 298 O LEU A 21 -5.983 -7.977 2.301 1.00 0.00 O ATOM 299 CB LEU A 21 -6.471 -5.106 3.671 1.00 0.00 C ATOM 300 CG LEU A 21 -7.185 -3.817 3.259 1.00 0.00 C ATOM 301 CD1 LEU A 21 -6.377 -2.601 3.686 1.00 0.00 C ATOM 302 CD2 LEU A 21 -7.426 -3.800 1.757 1.00 0.00 C ATOM 0 H LEU A 21 -8.107 -5.817 5.371 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.899 -6.314 2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.160 -5.014 4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.564 -5.208 3.075 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.151 -3.780 3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.899 -1.693 3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.255 -2.607 4.769 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.397 -2.630 3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.935 -2.876 1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.471 -3.859 1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.045 -4.653 1.478 1.00 0.00 H new ATOM 314 N VAL A 22 -6.036 -8.182 4.541 1.00 0.00 N ATOM 315 CA VAL A 22 -5.157 -9.345 4.565 1.00 0.00 C ATOM 316 C VAL A 22 -5.820 -10.552 3.908 1.00 0.00 C ATOM 317 O VAL A 22 -5.143 -11.421 3.359 1.00 0.00 O ATOM 318 CB VAL A 22 -4.755 -9.716 6.006 1.00 0.00 C ATOM 319 CG1 VAL A 22 -3.719 -10.830 6.004 1.00 0.00 C ATOM 320 CG2 VAL A 22 -4.232 -8.493 6.747 1.00 0.00 C ATOM 0 H VAL A 22 -6.355 -7.875 5.460 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.263 -9.075 4.003 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.641 -10.078 6.528 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.449 -11.077 7.031 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.134 -11.712 5.516 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.831 -10.500 5.464 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.953 -8.774 7.762 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.359 -8.098 6.227 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.009 -7.729 6.783 1.00 0.00 H new ATOM 330 N THR A 23 -7.147 -10.602 3.969 1.00 0.00 N ATOM 331 CA THR A 23 -7.898 -11.704 3.380 1.00 0.00 C ATOM 332 C THR A 23 -8.242 -11.415 1.922 1.00 0.00 C ATOM 333 O THR A 23 -8.245 -12.316 1.085 1.00 0.00 O ATOM 334 CB THR A 23 -9.179 -11.958 4.177 1.00 0.00 C ATOM 335 OG1 THR A 23 -8.986 -11.652 5.546 1.00 0.00 O ATOM 336 CG2 THR A 23 -9.664 -13.390 4.089 1.00 0.00 C ATOM 0 H THR A 23 -7.724 -9.892 4.420 1.00 0.00 H new ATOM 0 HA THR A 23 -7.272 -12.595 3.415 1.00 0.00 H new ATOM 0 HB THR A 23 -9.932 -11.309 3.730 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.816 -11.819 6.039 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.575 -13.502 4.676 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.869 -13.641 3.048 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.897 -14.059 4.479 1.00 0.00 H new ATOM 344 N HIS A 24 -8.531 -10.151 1.627 1.00 0.00 N ATOM 345 CA HIS A 24 -8.876 -9.744 0.269 1.00 0.00 C ATOM 346 C HIS A 24 -7.643 -9.731 -0.628 1.00 0.00 C ATOM 347 O HIS A 24 -7.635 -10.339 -1.698 1.00 0.00 O ATOM 348 CB HIS A 24 -9.527 -8.360 0.278 1.00 0.00 C ATOM 349 CG HIS A 24 -10.897 -8.345 0.882 1.00 0.00 C ATOM 350 ND1 HIS A 24 -11.624 -9.480 1.166 1.00 0.00 N ATOM 351 CD2 HIS A 24 -11.674 -7.298 1.259 1.00 0.00 C ATOM 352 CE1 HIS A 24 -12.795 -9.097 1.693 1.00 0.00 C ATOM 353 NE2 HIS A 24 -12.876 -7.783 1.770 1.00 0.00 N ATOM 0 H HIS A 24 -8.533 -9.392 2.309 1.00 0.00 H new ATOM 0 HA HIS A 24 -9.585 -10.470 -0.130 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.888 -7.671 0.830 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.586 -7.989 -0.745 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -11.324 -10.441 1.004 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.404 -6.256 1.176 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -13.571 -9.776 2.013 1.00 0.00 H new ATOM 361 N ILE A 25 -6.602 -9.034 -0.186 1.00 0.00 N ATOM 362 CA ILE A 25 -5.364 -8.940 -0.949 1.00 0.00 C ATOM 363 C ILE A 25 -4.603 -10.263 -0.927 1.00 0.00 C ATOM 364 O ILE A 25 -4.488 -10.907 0.115 1.00 0.00 O ATOM 365 CB ILE A 25 -4.450 -7.824 -0.406 1.00 0.00 C ATOM 366 CG1 ILE A 25 -5.229 -6.513 -0.282 1.00 0.00 C ATOM 367 CG2 ILE A 25 -3.237 -7.643 -1.307 1.00 0.00 C ATOM 368 CD1 ILE A 25 -4.536 -5.476 0.575 1.00 0.00 C ATOM 0 H ILE A 25 -6.592 -8.525 0.698 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.643 -8.701 -1.975 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.100 -8.113 0.585 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.390 -6.100 -1.278 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.212 -6.723 0.139 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.603 -6.851 -0.909 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.672 -8.574 -1.348 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.566 -7.374 -2.311 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.145 -4.573 0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.398 -5.869 1.582 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.564 -5.237 0.143 1.00 0.00 H new ATOM 380 N ARG A 26 -4.084 -10.660 -2.085 1.00 0.00 N ATOM 381 CA ARG A 26 -3.334 -11.905 -2.201 1.00 0.00 C ATOM 382 C ARG A 26 -1.878 -11.630 -2.561 1.00 0.00 C ATOM 383 O ARG A 26 -0.969 -12.298 -2.067 1.00 0.00 O ATOM 384 CB ARG A 26 -3.970 -12.812 -3.255 1.00 0.00 C ATOM 385 CG ARG A 26 -3.247 -14.138 -3.436 1.00 0.00 C ATOM 386 CD ARG A 26 -3.139 -14.896 -2.122 1.00 0.00 C ATOM 387 NE ARG A 26 -2.426 -16.163 -2.279 1.00 0.00 N ATOM 388 CZ ARG A 26 -1.882 -16.838 -1.269 1.00 0.00 C ATOM 389 NH1 ARG A 26 -1.968 -16.374 -0.028 1.00 0.00 N ATOM 390 NH2 ARG A 26 -1.252 -17.981 -1.500 1.00 0.00 N ATOM 0 H ARG A 26 -4.169 -10.137 -2.956 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.362 -12.409 -1.235 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.005 -13.008 -2.976 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.991 -12.286 -4.210 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.779 -14.747 -4.166 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.249 -13.958 -3.837 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.623 -14.278 -1.388 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.138 -15.088 -1.731 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.340 -16.552 -3.218 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.453 -15.496 0.156 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -1.549 -16.896 0.742 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.184 -18.343 -2.451 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.835 -18.499 -0.727 1.00 0.00 H new ATOM 404 N ASN A 27 -1.663 -10.643 -3.424 1.00 0.00 N ATOM 405 CA ASN A 27 -0.317 -10.278 -3.851 1.00 0.00 C ATOM 406 C ASN A 27 0.181 -9.050 -3.094 1.00 0.00 C ATOM 407 O ASN A 27 -0.550 -8.074 -2.925 1.00 0.00 O ATOM 408 CB ASN A 27 -0.292 -10.011 -5.359 1.00 0.00 C ATOM 409 CG ASN A 27 0.606 -10.980 -6.103 1.00 0.00 C ATOM 410 OD1 ASN A 27 1.515 -11.574 -5.522 1.00 0.00 O ATOM 411 ND2 ASN A 27 0.356 -11.145 -7.396 1.00 0.00 N ATOM 0 H ASN A 27 -2.404 -10.081 -3.842 1.00 0.00 H new ATOM 0 HA ASN A 27 0.347 -11.112 -3.627 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.305 -10.082 -5.755 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.050 -8.992 -5.539 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.927 -11.784 -7.948 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -0.408 -10.633 -7.837 1.00 0.00 H new ATOM 418 N THR A 28 1.429 -9.108 -2.640 1.00 0.00 N ATOM 419 CA THR A 28 2.026 -8.000 -1.900 1.00 0.00 C ATOM 420 C THR A 28 3.177 -7.376 -2.684 1.00 0.00 C ATOM 421 O THR A 28 3.405 -6.168 -2.614 1.00 0.00 O ATOM 422 CB THR A 28 2.525 -8.483 -0.539 1.00 0.00 C ATOM 423 OG1 THR A 28 3.610 -9.382 -0.692 1.00 0.00 O ATOM 424 CG2 THR A 28 1.461 -9.185 0.275 1.00 0.00 C ATOM 0 H THR A 28 2.047 -9.909 -2.771 1.00 0.00 H new ATOM 0 HA THR A 28 1.259 -7.240 -1.752 1.00 0.00 H new ATOM 0 HB THR A 28 2.830 -7.581 -0.008 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.401 -9.020 -0.240 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.883 -9.502 1.229 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.630 -8.502 0.454 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.102 -10.058 -0.271 1.00 0.00 H new ATOM 432 N GLN A 29 3.902 -8.207 -3.427 1.00 0.00 N ATOM 433 CA GLN A 29 5.032 -7.737 -4.222 1.00 0.00 C ATOM 434 C GLN A 29 4.598 -6.653 -5.204 1.00 0.00 C ATOM 435 O GLN A 29 5.376 -5.761 -5.542 1.00 0.00 O ATOM 436 CB GLN A 29 5.667 -8.903 -4.982 1.00 0.00 C ATOM 437 CG GLN A 29 7.115 -8.657 -5.373 1.00 0.00 C ATOM 438 CD GLN A 29 7.987 -8.300 -4.185 1.00 0.00 C ATOM 439 OE1 GLN A 29 7.612 -8.526 -3.035 1.00 0.00 O ATOM 440 NE2 GLN A 29 9.158 -7.740 -4.460 1.00 0.00 N ATOM 0 H GLN A 29 3.727 -9.210 -3.495 1.00 0.00 H new ATOM 0 HA GLN A 29 5.768 -7.310 -3.541 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.613 -9.800 -4.365 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.085 -9.099 -5.882 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.513 -9.549 -5.857 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.158 -7.851 -6.106 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.428 -7.571 -5.429 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.789 -7.478 -3.702 1.00 0.00 H new ATOM 449 N CYS A 30 3.351 -6.735 -5.657 1.00 0.00 N ATOM 450 CA CYS A 30 2.816 -5.759 -6.599 1.00 0.00 C ATOM 451 C CYS A 30 2.634 -4.400 -5.932 1.00 0.00 C ATOM 452 O CYS A 30 2.783 -3.359 -6.572 1.00 0.00 O ATOM 453 CB CYS A 30 1.478 -6.245 -7.163 1.00 0.00 C ATOM 454 SG CYS A 30 1.625 -7.628 -8.320 1.00 0.00 S ATOM 0 H CYS A 30 2.693 -7.466 -5.387 1.00 0.00 H new ATOM 0 HA CYS A 30 3.531 -5.650 -7.415 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.834 -6.544 -6.336 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.985 -5.414 -7.667 1.00 0.00 H new ATOM 0 HG CYS A 30 0.443 -7.969 -8.741 1.00 0.00 H new ATOM 460 N LEU A 31 2.314 -4.417 -4.642 1.00 0.00 N ATOM 461 CA LEU A 31 2.113 -3.185 -3.888 1.00 0.00 C ATOM 462 C LEU A 31 3.450 -2.575 -3.478 1.00 0.00 C ATOM 463 O LEU A 31 3.582 -1.355 -3.379 1.00 0.00 O ATOM 464 CB LEU A 31 1.262 -3.458 -2.646 1.00 0.00 C ATOM 465 CG LEU A 31 -0.228 -3.670 -2.916 1.00 0.00 C ATOM 466 CD1 LEU A 31 -0.796 -4.724 -1.979 1.00 0.00 C ATOM 467 CD2 LEU A 31 -0.987 -2.359 -2.768 1.00 0.00 C ATOM 0 H LEU A 31 2.188 -5.270 -4.097 1.00 0.00 H new ATOM 0 HA LEU A 31 1.591 -2.475 -4.530 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.654 -4.342 -2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.375 -2.622 -1.956 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.346 -4.023 -3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.857 -4.861 -2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.272 -5.667 -2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.667 -4.400 -0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.046 -2.528 -2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.861 -1.978 -1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.598 -1.631 -3.480 1.00 0.00 H new ATOM 479 N VAL A 32 4.437 -3.432 -3.240 1.00 0.00 N ATOM 480 CA VAL A 32 5.763 -2.977 -2.840 1.00 0.00 C ATOM 481 C VAL A 32 6.602 -2.592 -4.054 1.00 0.00 C ATOM 482 O VAL A 32 7.447 -1.700 -3.979 1.00 0.00 O ATOM 483 CB VAL A 32 6.509 -4.061 -2.040 1.00 0.00 C ATOM 484 CG1 VAL A 32 7.802 -3.505 -1.462 1.00 0.00 C ATOM 485 CG2 VAL A 32 5.621 -4.618 -0.938 1.00 0.00 C ATOM 0 H VAL A 32 4.344 -4.445 -3.317 1.00 0.00 H new ATOM 0 HA VAL A 32 5.620 -2.101 -2.208 1.00 0.00 H new ATOM 0 HB VAL A 32 6.762 -4.876 -2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.315 -4.286 -0.900 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.444 -3.160 -2.272 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.575 -2.670 -0.799 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.165 -5.383 -0.384 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.334 -3.814 -0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.726 -5.057 -1.379 1.00 0.00 H new ATOM 495 N ASP A 33 6.362 -3.268 -5.172 1.00 0.00 N ATOM 496 CA ASP A 33 7.095 -2.996 -6.402 1.00 0.00 C ATOM 497 C ASP A 33 6.799 -1.590 -6.914 1.00 0.00 C ATOM 498 O ASP A 33 7.712 -0.798 -7.148 1.00 0.00 O ATOM 499 CB ASP A 33 6.734 -4.029 -7.473 1.00 0.00 C ATOM 500 CG ASP A 33 7.685 -5.209 -7.479 1.00 0.00 C ATOM 501 OD1 ASP A 33 7.951 -5.764 -6.393 1.00 0.00 O ATOM 502 OD2 ASP A 33 8.164 -5.580 -8.572 1.00 0.00 O ATOM 0 H ASP A 33 5.665 -4.009 -5.251 1.00 0.00 H new ATOM 0 HA ASP A 33 8.161 -3.065 -6.184 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.718 -4.385 -7.303 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.745 -3.552 -8.453 1.00 0.00 H new ATOM 507 N ASN A 34 5.517 -1.286 -7.087 1.00 0.00 N ATOM 508 CA ASN A 34 5.100 0.025 -7.572 1.00 0.00 C ATOM 509 C ASN A 34 5.559 1.127 -6.623 1.00 0.00 C ATOM 510 O ASN A 34 6.085 2.152 -7.056 1.00 0.00 O ATOM 511 CB ASN A 34 3.580 0.073 -7.731 1.00 0.00 C ATOM 512 CG ASN A 34 3.087 -0.820 -8.853 1.00 0.00 C ATOM 513 OD1 ASN A 34 3.614 -0.788 -9.964 1.00 0.00 O ATOM 514 ND2 ASN A 34 2.070 -1.624 -8.565 1.00 0.00 N ATOM 0 H ASN A 34 4.749 -1.930 -6.899 1.00 0.00 H new ATOM 0 HA ASN A 34 5.565 0.190 -8.544 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.110 -0.231 -6.796 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.270 1.100 -7.925 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.695 -2.248 -9.279 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.664 -1.617 -7.629 1.00 0.00 H new ATOM 521 N LEU A 35 5.358 0.909 -5.328 1.00 0.00 N ATOM 522 CA LEU A 35 5.751 1.886 -4.318 1.00 0.00 C ATOM 523 C LEU A 35 7.252 2.152 -4.374 1.00 0.00 C ATOM 524 O LEU A 35 7.708 3.253 -4.066 1.00 0.00 O ATOM 525 CB LEU A 35 5.359 1.394 -2.923 1.00 0.00 C ATOM 526 CG LEU A 35 3.856 1.387 -2.638 1.00 0.00 C ATOM 527 CD1 LEU A 35 3.561 0.639 -1.347 1.00 0.00 C ATOM 528 CD2 LEU A 35 3.322 2.809 -2.566 1.00 0.00 C ATOM 0 H LEU A 35 4.925 0.065 -4.953 1.00 0.00 H new ATOM 0 HA LEU A 35 5.227 2.819 -4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.743 0.383 -2.790 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.851 2.023 -2.181 1.00 0.00 H new ATOM 0 HG LEU A 35 3.352 0.871 -3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.487 0.644 -1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.909 -0.390 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.075 1.126 -0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.251 2.786 -2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.831 3.349 -1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.500 3.313 -3.516 1.00 0.00 H new ATOM 540 N LEU A 36 8.015 1.137 -4.767 1.00 0.00 N ATOM 541 CA LEU A 36 9.464 1.262 -4.862 1.00 0.00 C ATOM 542 C LEU A 36 9.861 2.067 -6.095 1.00 0.00 C ATOM 543 O LEU A 36 10.755 2.912 -6.036 1.00 0.00 O ATOM 544 CB LEU A 36 10.115 -0.122 -4.910 1.00 0.00 C ATOM 545 CG LEU A 36 10.277 -0.809 -3.553 1.00 0.00 C ATOM 546 CD1 LEU A 36 10.775 -2.234 -3.733 1.00 0.00 C ATOM 547 CD2 LEU A 36 11.227 -0.017 -2.667 1.00 0.00 C ATOM 0 H LEU A 36 7.653 0.219 -5.025 1.00 0.00 H new ATOM 0 HA LEU A 36 9.817 1.791 -3.976 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.518 -0.765 -5.557 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.098 -0.029 -5.372 1.00 0.00 H new ATOM 0 HG LEU A 36 9.303 -0.846 -3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.884 -2.707 -2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.058 -2.797 -4.331 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.740 -2.221 -4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.331 -0.519 -1.705 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.202 0.051 -3.149 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.829 0.986 -2.511 1.00 0.00 H new ATOM 559 N LYS A 37 9.191 1.800 -7.211 1.00 0.00 N ATOM 560 CA LYS A 37 9.473 2.500 -8.459 1.00 0.00 C ATOM 561 C LYS A 37 9.054 3.963 -8.369 1.00 0.00 C ATOM 562 O LYS A 37 9.645 4.830 -9.012 1.00 0.00 O ATOM 563 CB LYS A 37 8.749 1.821 -9.623 1.00 0.00 C ATOM 564 CG LYS A 37 9.044 2.453 -10.974 1.00 0.00 C ATOM 565 CD LYS A 37 10.180 1.739 -11.688 1.00 0.00 C ATOM 566 CE LYS A 37 11.497 2.480 -11.518 1.00 0.00 C ATOM 567 NZ LYS A 37 12.513 2.041 -12.514 1.00 0.00 N ATOM 0 H LYS A 37 8.449 1.104 -7.277 1.00 0.00 H new ATOM 0 HA LYS A 37 10.548 2.459 -8.635 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.034 0.769 -9.653 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.675 1.856 -9.442 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.148 2.423 -11.594 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.302 3.503 -10.837 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.278 0.726 -11.297 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.946 1.650 -12.749 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.327 3.552 -11.621 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.880 2.314 -10.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.396 2.569 -12.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.695 1.023 -12.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.159 2.223 -13.475 1.00 0.00 H new ATOM 581 N ASN A 38 8.030 4.232 -7.564 1.00 0.00 N ATOM 582 CA ASN A 38 7.532 5.591 -7.388 1.00 0.00 C ATOM 583 C ASN A 38 8.372 6.367 -6.373 1.00 0.00 C ATOM 584 O ASN A 38 8.098 7.534 -6.094 1.00 0.00 O ATOM 585 CB ASN A 38 6.070 5.565 -6.937 1.00 0.00 C ATOM 586 CG ASN A 38 5.114 5.325 -8.089 1.00 0.00 C ATOM 587 OD1 ASN A 38 4.488 6.256 -8.596 1.00 0.00 O ATOM 588 ND2 ASN A 38 4.997 4.070 -8.510 1.00 0.00 N ATOM 0 H ASN A 38 7.530 3.526 -7.024 1.00 0.00 H new ATOM 0 HA ASN A 38 7.606 6.098 -8.350 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.937 4.783 -6.189 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.824 6.512 -6.456 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.369 3.848 -9.282 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.535 3.329 -8.061 1.00 0.00 H new ATOM 595 N ASP A 39 9.396 5.717 -5.821 1.00 0.00 N ATOM 596 CA ASP A 39 10.268 6.354 -4.840 1.00 0.00 C ATOM 597 C ASP A 39 9.513 6.637 -3.545 1.00 0.00 C ATOM 598 O ASP A 39 9.790 7.618 -2.855 1.00 0.00 O ATOM 599 CB ASP A 39 10.847 7.655 -5.401 1.00 0.00 C ATOM 600 CG ASP A 39 12.044 8.144 -4.609 1.00 0.00 C ATOM 601 OD1 ASP A 39 12.833 7.297 -4.142 1.00 0.00 O ATOM 602 OD2 ASP A 39 12.192 9.375 -4.457 1.00 0.00 O ATOM 0 H ASP A 39 9.640 4.751 -6.037 1.00 0.00 H new ATOM 0 HA ASP A 39 11.086 5.668 -4.622 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.140 7.501 -6.439 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.075 8.424 -5.399 1.00 0.00 H new ATOM 607 N TYR A 40 8.560 5.770 -3.220 1.00 0.00 N ATOM 608 CA TYR A 40 7.766 5.925 -2.007 1.00 0.00 C ATOM 609 C TYR A 40 8.321 5.059 -0.881 1.00 0.00 C ATOM 610 O TYR A 40 8.436 5.506 0.260 1.00 0.00 O ATOM 611 CB TYR A 40 6.306 5.558 -2.277 1.00 0.00 C ATOM 612 CG TYR A 40 5.456 6.733 -2.708 1.00 0.00 C ATOM 613 CD1 TYR A 40 5.230 7.803 -1.851 1.00 0.00 C ATOM 614 CD2 TYR A 40 4.880 6.771 -3.972 1.00 0.00 C ATOM 615 CE1 TYR A 40 4.454 8.877 -2.243 1.00 0.00 C ATOM 616 CE2 TYR A 40 4.104 7.842 -4.371 1.00 0.00 C ATOM 617 CZ TYR A 40 3.893 8.892 -3.502 1.00 0.00 C ATOM 618 OH TYR A 40 3.120 9.961 -3.895 1.00 0.00 O ATOM 0 H TYR A 40 8.319 4.952 -3.780 1.00 0.00 H new ATOM 0 HA TYR A 40 7.819 6.969 -1.698 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.270 4.791 -3.051 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.877 5.121 -1.375 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.667 7.795 -0.864 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.042 5.949 -4.654 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.288 9.702 -1.566 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.665 7.857 -5.358 1.00 0.00 H new ATOM 0 HH TYR A 40 2.802 9.815 -4.810 1.00 0.00 H new ATOM 628 N PHE A 41 8.663 3.818 -1.210 1.00 0.00 N ATOM 629 CA PHE A 41 9.207 2.888 -0.228 1.00 0.00 C ATOM 630 C PHE A 41 10.733 2.899 -0.256 1.00 0.00 C ATOM 631 O PHE A 41 11.342 3.452 -1.171 1.00 0.00 O ATOM 632 CB PHE A 41 8.689 1.472 -0.494 1.00 0.00 C ATOM 633 CG PHE A 41 7.486 1.109 0.329 1.00 0.00 C ATOM 634 CD1 PHE A 41 6.380 1.944 0.366 1.00 0.00 C ATOM 635 CD2 PHE A 41 7.461 -0.065 1.064 1.00 0.00 C ATOM 636 CE1 PHE A 41 5.271 1.612 1.122 1.00 0.00 C ATOM 637 CE2 PHE A 41 6.355 -0.401 1.821 1.00 0.00 C ATOM 638 CZ PHE A 41 5.259 0.438 1.851 1.00 0.00 C ATOM 0 H PHE A 41 8.573 3.433 -2.150 1.00 0.00 H new ATOM 0 HA PHE A 41 8.878 3.207 0.761 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.438 1.378 -1.551 1.00 0.00 H new ATOM 0 HB3 PHE A 41 9.487 0.758 -0.291 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.385 2.863 -0.201 1.00 0.00 H new ATOM 0 HD2 PHE A 41 8.316 -0.725 1.045 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.415 2.270 1.143 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.348 -1.320 2.389 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.394 0.177 2.443 1.00 0.00 H new ATOM 648 N SER A 42 11.342 2.283 0.752 1.00 0.00 N ATOM 649 CA SER A 42 12.797 2.222 0.842 1.00 0.00 C ATOM 650 C SER A 42 13.263 0.808 1.172 1.00 0.00 C ATOM 651 O SER A 42 12.456 -0.061 1.502 1.00 0.00 O ATOM 652 CB SER A 42 13.304 3.200 1.904 1.00 0.00 C ATOM 653 OG SER A 42 12.831 4.512 1.658 1.00 0.00 O ATOM 0 H SER A 42 10.852 1.820 1.517 1.00 0.00 H new ATOM 0 HA SER A 42 13.208 2.503 -0.127 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.977 2.872 2.891 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.394 3.199 1.913 1.00 0.00 H new ATOM 0 HG SER A 42 13.168 5.117 2.352 1.00 0.00 H new ATOM 659 N ALA A 43 14.569 0.585 1.080 1.00 0.00 N ATOM 660 CA ALA A 43 15.143 -0.724 1.370 1.00 0.00 C ATOM 661 C ALA A 43 14.852 -1.144 2.805 1.00 0.00 C ATOM 662 O ALA A 43 14.672 -2.329 3.092 1.00 0.00 O ATOM 663 CB ALA A 43 16.643 -0.709 1.116 1.00 0.00 C ATOM 0 H ALA A 43 15.250 1.293 0.807 1.00 0.00 H new ATOM 0 HA ALA A 43 14.680 -1.453 0.705 1.00 0.00 H new ATOM 0 HB1 ALA A 43 17.059 -1.692 1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 43 16.833 -0.460 0.072 1.00 0.00 H new ATOM 0 HB3 ALA A 43 17.113 0.036 1.758 1.00 0.00 H new ATOM 669 N GLU A 44 14.806 -0.168 3.705 1.00 0.00 N ATOM 670 CA GLU A 44 14.536 -0.436 5.113 1.00 0.00 C ATOM 671 C GLU A 44 13.104 -0.924 5.309 1.00 0.00 C ATOM 672 O GLU A 44 12.864 -1.907 6.010 1.00 0.00 O ATOM 673 CB GLU A 44 14.776 0.823 5.948 1.00 0.00 C ATOM 674 CG GLU A 44 13.896 1.996 5.548 1.00 0.00 C ATOM 675 CD GLU A 44 14.442 3.326 6.029 1.00 0.00 C ATOM 676 OE1 GLU A 44 15.676 3.513 5.983 1.00 0.00 O ATOM 677 OE2 GLU A 44 13.634 4.181 6.452 1.00 0.00 O ATOM 0 H GLU A 44 14.952 0.817 3.484 1.00 0.00 H new ATOM 0 HA GLU A 44 15.217 -1.220 5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.602 0.591 6.999 1.00 0.00 H new ATOM 0 HB3 GLU A 44 15.822 1.116 5.856 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.799 2.019 4.463 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.895 1.850 5.955 1.00 0.00 H new ATOM 684 N ASP A 45 12.157 -0.231 4.686 1.00 0.00 N ATOM 685 CA ASP A 45 10.749 -0.592 4.792 1.00 0.00 C ATOM 686 C ASP A 45 10.466 -1.902 4.064 1.00 0.00 C ATOM 687 O ASP A 45 9.650 -2.709 4.510 1.00 0.00 O ATOM 688 CB ASP A 45 9.871 0.521 4.221 1.00 0.00 C ATOM 689 CG ASP A 45 9.590 1.614 5.234 1.00 0.00 C ATOM 690 OD1 ASP A 45 10.409 1.790 6.159 1.00 0.00 O ATOM 691 OD2 ASP A 45 8.549 2.293 5.101 1.00 0.00 O ATOM 0 H ASP A 45 12.340 0.585 4.102 1.00 0.00 H new ATOM 0 HA ASP A 45 10.513 -0.726 5.848 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.361 0.955 3.349 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.928 0.096 3.878 1.00 0.00 H new ATOM 696 N ALA A 46 11.146 -2.108 2.941 1.00 0.00 N ATOM 697 CA ALA A 46 10.966 -3.320 2.151 1.00 0.00 C ATOM 698 C ALA A 46 11.512 -4.541 2.886 1.00 0.00 C ATOM 699 O ALA A 46 10.944 -5.630 2.807 1.00 0.00 O ATOM 700 CB ALA A 46 11.642 -3.172 0.796 1.00 0.00 C ATOM 0 H ALA A 46 11.826 -1.452 2.558 1.00 0.00 H new ATOM 0 HA ALA A 46 9.897 -3.468 1.998 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.500 -4.084 0.217 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.203 -2.330 0.261 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.708 -2.996 0.939 1.00 0.00 H new ATOM 706 N GLU A 47 12.616 -4.350 3.600 1.00 0.00 N ATOM 707 CA GLU A 47 13.239 -5.435 4.349 1.00 0.00 C ATOM 708 C GLU A 47 12.286 -5.988 5.403 1.00 0.00 C ATOM 709 O GLU A 47 12.346 -7.168 5.750 1.00 0.00 O ATOM 710 CB GLU A 47 14.529 -4.946 5.014 1.00 0.00 C ATOM 711 CG GLU A 47 15.712 -5.878 4.802 1.00 0.00 C ATOM 712 CD GLU A 47 16.038 -6.696 6.036 1.00 0.00 C ATOM 713 OE1 GLU A 47 16.331 -6.091 7.089 1.00 0.00 O ATOM 714 OE2 GLU A 47 16.001 -7.942 5.949 1.00 0.00 O ATOM 0 H GLU A 47 13.098 -3.454 3.676 1.00 0.00 H new ATOM 0 HA GLU A 47 13.479 -6.236 3.650 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.779 -3.960 4.623 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.355 -4.830 6.084 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.496 -6.550 3.972 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.586 -5.291 4.518 1.00 0.00 H new ATOM 721 N ILE A 48 11.407 -5.129 5.911 1.00 0.00 N ATOM 722 CA ILE A 48 10.441 -5.534 6.926 1.00 0.00 C ATOM 723 C ILE A 48 9.317 -6.364 6.315 1.00 0.00 C ATOM 724 O ILE A 48 8.910 -7.382 6.875 1.00 0.00 O ATOM 725 CB ILE A 48 9.833 -4.313 7.642 1.00 0.00 C ATOM 726 CG1 ILE A 48 10.939 -3.366 8.111 1.00 0.00 C ATOM 727 CG2 ILE A 48 8.978 -4.760 8.817 1.00 0.00 C ATOM 728 CD1 ILE A 48 10.448 -1.967 8.414 1.00 0.00 C ATOM 0 H ILE A 48 11.344 -4.149 5.636 1.00 0.00 H new ATOM 0 HA ILE A 48 10.982 -6.140 7.653 1.00 0.00 H new ATOM 0 HB ILE A 48 9.197 -3.777 6.938 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.406 -3.780 9.005 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.711 -3.313 7.343 1.00 0.00 H new ATOM 0 HG21 ILE A 48 8.555 -3.886 9.313 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.171 -5.399 8.458 1.00 0.00 H new ATOM 0 HG23 ILE A 48 9.594 -5.316 9.524 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.285 -1.350 8.741 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.007 -1.534 7.516 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.698 -2.008 9.203 1.00 0.00 H new ATOM 740 N VAL A 49 8.820 -5.921 5.165 1.00 0.00 N ATOM 741 CA VAL A 49 7.743 -6.624 4.478 1.00 0.00 C ATOM 742 C VAL A 49 8.169 -8.035 4.089 1.00 0.00 C ATOM 743 O VAL A 49 7.536 -9.016 4.481 1.00 0.00 O ATOM 744 CB VAL A 49 7.295 -5.868 3.213 1.00 0.00 C ATOM 745 CG1 VAL A 49 6.048 -6.506 2.621 1.00 0.00 C ATOM 746 CG2 VAL A 49 7.053 -4.399 3.529 1.00 0.00 C ATOM 0 H VAL A 49 9.145 -5.079 4.690 1.00 0.00 H new ATOM 0 HA VAL A 49 6.906 -6.678 5.174 1.00 0.00 H new ATOM 0 HB VAL A 49 8.092 -5.932 2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.747 -5.958 1.728 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.260 -7.542 2.356 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.241 -6.477 3.354 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.737 -3.879 2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.275 -4.313 4.287 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.974 -3.951 3.902 1.00 0.00 H new ATOM 756 N CYS A 50 9.246 -8.130 3.316 1.00 0.00 N ATOM 757 CA CYS A 50 9.758 -9.422 2.875 1.00 0.00 C ATOM 758 C CYS A 50 10.140 -10.293 4.068 1.00 0.00 C ATOM 759 O CYS A 50 10.070 -11.520 4.001 1.00 0.00 O ATOM 760 CB CYS A 50 10.970 -9.228 1.961 1.00 0.00 C ATOM 761 SG CYS A 50 11.589 -10.757 1.220 1.00 0.00 S ATOM 0 H CYS A 50 9.781 -7.328 2.982 1.00 0.00 H new ATOM 0 HA CYS A 50 8.968 -9.927 2.319 1.00 0.00 H new ATOM 0 HB2 CYS A 50 10.703 -8.533 1.165 1.00 0.00 H new ATOM 0 HB3 CYS A 50 11.773 -8.764 2.534 1.00 0.00 H new ATOM 0 HG CYS A 50 11.257 -11.767 1.968 1.00 0.00 H new ATOM 767 N ALA A 51 10.544 -9.649 5.159 1.00 0.00 N ATOM 768 CA ALA A 51 10.937 -10.364 6.368 1.00 0.00 C ATOM 769 C ALA A 51 9.811 -11.260 6.875 1.00 0.00 C ATOM 770 O ALA A 51 10.054 -12.226 7.598 1.00 0.00 O ATOM 771 CB ALA A 51 11.355 -9.377 7.449 1.00 0.00 C ATOM 0 H ALA A 51 10.608 -8.633 5.230 1.00 0.00 H new ATOM 0 HA ALA A 51 11.785 -11.002 6.121 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.646 -9.922 8.347 1.00 0.00 H new ATOM 0 HB2 ALA A 51 12.199 -8.785 7.094 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.520 -8.716 7.681 1.00 0.00 H new ATOM 777 N CYS A 52 8.579 -10.937 6.492 1.00 0.00 N ATOM 778 CA CYS A 52 7.418 -11.716 6.911 1.00 0.00 C ATOM 779 C CYS A 52 7.584 -13.189 6.539 1.00 0.00 C ATOM 780 O CYS A 52 8.159 -13.514 5.502 1.00 0.00 O ATOM 781 CB CYS A 52 6.145 -11.157 6.271 1.00 0.00 C ATOM 782 SG CYS A 52 5.598 -9.582 6.970 1.00 0.00 S ATOM 0 H CYS A 52 8.359 -10.142 5.893 1.00 0.00 H new ATOM 0 HA CYS A 52 7.335 -11.642 7.995 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.315 -11.028 5.202 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.344 -11.889 6.381 1.00 0.00 H new ATOM 0 HG CYS A 52 6.141 -8.602 6.310 1.00 0.00 H new ATOM 788 N PRO A 53 7.080 -14.103 7.388 1.00 0.00 N ATOM 789 CA PRO A 53 7.177 -15.544 7.143 1.00 0.00 C ATOM 790 C PRO A 53 6.189 -16.021 6.083 1.00 0.00 C ATOM 791 O PRO A 53 6.503 -16.895 5.276 1.00 0.00 O ATOM 792 CB PRO A 53 6.836 -16.150 8.503 1.00 0.00 C ATOM 793 CG PRO A 53 5.927 -15.157 9.138 1.00 0.00 C ATOM 794 CD PRO A 53 6.377 -13.804 8.651 1.00 0.00 C ATOM 0 HA PRO A 53 8.158 -15.831 6.763 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.350 -17.120 8.395 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.732 -16.308 9.103 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.890 -15.345 8.861 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.982 -15.218 10.225 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.532 -13.135 8.490 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.036 -13.318 9.371 1.00 0.00 H new ATOM 802 N THR A 54 4.993 -15.441 6.093 1.00 0.00 N ATOM 803 CA THR A 54 3.958 -15.809 5.133 1.00 0.00 C ATOM 804 C THR A 54 3.483 -14.590 4.348 1.00 0.00 C ATOM 805 O THR A 54 4.001 -13.487 4.521 1.00 0.00 O ATOM 806 CB THR A 54 2.775 -16.459 5.852 1.00 0.00 C ATOM 807 OG1 THR A 54 2.224 -15.575 6.812 1.00 0.00 O ATOM 808 CG2 THR A 54 3.141 -17.742 6.566 1.00 0.00 C ATOM 0 H THR A 54 4.717 -14.715 6.754 1.00 0.00 H new ATOM 0 HA THR A 54 4.387 -16.525 4.432 1.00 0.00 H new ATOM 0 HB THR A 54 2.053 -16.691 5.069 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.468 -16.009 7.260 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.257 -18.151 7.055 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.523 -18.464 5.844 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.907 -17.536 7.314 1.00 0.00 H new ATOM 816 N GLN A 55 2.494 -14.798 3.485 1.00 0.00 N ATOM 817 CA GLN A 55 1.946 -13.718 2.673 1.00 0.00 C ATOM 818 C GLN A 55 1.026 -12.822 3.500 1.00 0.00 C ATOM 819 O GLN A 55 1.191 -11.603 3.523 1.00 0.00 O ATOM 820 CB GLN A 55 1.184 -14.288 1.475 1.00 0.00 C ATOM 821 CG GLN A 55 1.546 -13.629 0.153 1.00 0.00 C ATOM 822 CD GLN A 55 2.989 -13.871 -0.242 1.00 0.00 C ATOM 823 OE1 GLN A 55 3.409 -15.011 -0.435 1.00 0.00 O ATOM 824 NE2 GLN A 55 3.757 -12.794 -0.365 1.00 0.00 N ATOM 0 H GLN A 55 2.055 -15.706 3.330 1.00 0.00 H new ATOM 0 HA GLN A 55 2.778 -13.113 2.311 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.382 -15.357 1.404 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.114 -14.173 1.648 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.890 -14.009 -0.630 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.368 -12.556 0.225 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.367 -11.867 -0.195 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.737 -12.894 -0.629 1.00 0.00 H new ATOM 833 N PRO A 56 0.039 -13.418 4.195 1.00 0.00 N ATOM 834 CA PRO A 56 -0.907 -12.666 5.025 1.00 0.00 C ATOM 835 C PRO A 56 -0.205 -11.704 5.979 1.00 0.00 C ATOM 836 O PRO A 56 -0.763 -10.675 6.360 1.00 0.00 O ATOM 837 CB PRO A 56 -1.638 -13.758 5.807 1.00 0.00 C ATOM 838 CG PRO A 56 -1.550 -14.966 4.940 1.00 0.00 C ATOM 839 CD PRO A 56 -0.231 -14.868 4.226 1.00 0.00 C ATOM 0 HA PRO A 56 -1.567 -12.039 4.425 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.171 -13.931 6.776 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.675 -13.482 5.998 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.605 -15.878 5.535 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.377 -14.998 4.230 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.553 -15.411 4.755 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.287 -15.287 3.221 1.00 0.00 H new ATOM 847 N ASP A 57 1.021 -12.047 6.360 1.00 0.00 N ATOM 848 CA ASP A 57 1.800 -11.214 7.268 1.00 0.00 C ATOM 849 C ASP A 57 2.326 -9.974 6.551 1.00 0.00 C ATOM 850 O ASP A 57 2.402 -8.893 7.135 1.00 0.00 O ATOM 851 CB ASP A 57 2.964 -12.014 7.856 1.00 0.00 C ATOM 852 CG ASP A 57 2.652 -12.560 9.235 1.00 0.00 C ATOM 853 OD1 ASP A 57 1.825 -13.492 9.332 1.00 0.00 O ATOM 854 OD2 ASP A 57 3.234 -12.058 10.219 1.00 0.00 O ATOM 0 H ASP A 57 1.496 -12.896 6.054 1.00 0.00 H new ATOM 0 HA ASP A 57 1.146 -10.892 8.079 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.208 -12.840 7.188 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.847 -11.378 7.911 1.00 0.00 H new ATOM 859 N LYS A 58 2.685 -10.139 5.283 1.00 0.00 N ATOM 860 CA LYS A 58 3.203 -9.034 4.485 1.00 0.00 C ATOM 861 C LYS A 58 2.143 -7.955 4.297 1.00 0.00 C ATOM 862 O LYS A 58 2.422 -6.764 4.438 1.00 0.00 O ATOM 863 CB LYS A 58 3.679 -9.540 3.122 1.00 0.00 C ATOM 864 CG LYS A 58 4.837 -10.521 3.208 1.00 0.00 C ATOM 865 CD LYS A 58 5.014 -11.290 1.907 1.00 0.00 C ATOM 866 CE LYS A 58 6.483 -11.482 1.567 1.00 0.00 C ATOM 867 NZ LYS A 58 6.930 -12.883 1.803 1.00 0.00 N ATOM 0 H LYS A 58 2.627 -11.027 4.785 1.00 0.00 H new ATOM 0 HA LYS A 58 4.048 -8.599 5.019 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.845 -10.020 2.610 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.980 -8.688 2.512 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.755 -9.982 3.441 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.662 -11.221 4.025 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.529 -12.263 1.989 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.519 -10.755 1.097 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.651 -11.218 0.523 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.087 -10.802 2.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.937 -12.972 1.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.794 -13.127 2.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.372 -13.530 1.210 1.00 0.00 H new ATOM 881 N VAL A 59 0.924 -8.379 3.979 1.00 0.00 N ATOM 882 CA VAL A 59 -0.180 -7.450 3.772 1.00 0.00 C ATOM 883 C VAL A 59 -0.440 -6.618 5.023 1.00 0.00 C ATOM 884 O VAL A 59 -0.874 -5.469 4.937 1.00 0.00 O ATOM 885 CB VAL A 59 -1.474 -8.191 3.385 1.00 0.00 C ATOM 886 CG1 VAL A 59 -2.564 -7.201 3.005 1.00 0.00 C ATOM 887 CG2 VAL A 59 -1.211 -9.167 2.249 1.00 0.00 C ATOM 0 H VAL A 59 0.676 -9.361 3.859 1.00 0.00 H new ATOM 0 HA VAL A 59 0.111 -6.791 2.954 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.817 -8.759 4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.470 -7.743 2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.772 -6.546 3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.232 -6.603 2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.136 -9.681 1.989 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.842 -8.623 1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.466 -9.898 2.563 1.00 0.00 H new ATOM 897 N ARG A 60 -0.173 -7.205 6.184 1.00 0.00 N ATOM 898 CA ARG A 60 -0.380 -6.519 7.454 1.00 0.00 C ATOM 899 C ARG A 60 0.768 -5.557 7.748 1.00 0.00 C ATOM 900 O ARG A 60 0.584 -4.545 8.426 1.00 0.00 O ATOM 901 CB ARG A 60 -0.517 -7.536 8.589 1.00 0.00 C ATOM 902 CG ARG A 60 -1.816 -7.404 9.370 1.00 0.00 C ATOM 903 CD ARG A 60 -1.569 -6.917 10.788 1.00 0.00 C ATOM 904 NE ARG A 60 -2.682 -7.238 11.679 1.00 0.00 N ATOM 905 CZ ARG A 60 -2.614 -7.166 13.006 1.00 0.00 C ATOM 906 NH1 ARG A 60 -1.490 -6.783 13.600 1.00 0.00 N ATOM 907 NH2 ARG A 60 -3.672 -7.475 13.742 1.00 0.00 N ATOM 0 H ARG A 60 0.188 -8.155 6.272 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.301 -5.941 7.381 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.453 -8.542 8.174 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.323 -7.419 9.274 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -2.481 -6.709 8.857 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.323 -8.368 9.399 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.655 -7.369 11.173 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.412 -5.838 10.779 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.563 -7.535 11.259 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.673 -6.542 13.039 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.444 -6.730 14.618 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.539 -7.768 13.291 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.619 -7.420 14.759 1.00 0.00 H new ATOM 921 N LYS A 61 1.951 -5.878 7.237 1.00 0.00 N ATOM 922 CA LYS A 61 3.128 -5.041 7.448 1.00 0.00 C ATOM 923 C LYS A 61 3.106 -3.825 6.528 1.00 0.00 C ATOM 924 O LYS A 61 3.427 -2.712 6.946 1.00 0.00 O ATOM 925 CB LYS A 61 4.404 -5.851 7.211 1.00 0.00 C ATOM 926 CG LYS A 61 5.673 -5.112 7.603 1.00 0.00 C ATOM 927 CD LYS A 61 5.717 -4.834 9.097 1.00 0.00 C ATOM 928 CE LYS A 61 5.784 -6.122 9.901 1.00 0.00 C ATOM 929 NZ LYS A 61 4.430 -6.605 10.291 1.00 0.00 N ATOM 0 H LYS A 61 2.121 -6.711 6.674 1.00 0.00 H new ATOM 0 HA LYS A 61 3.113 -4.692 8.480 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.345 -6.781 7.777 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.462 -6.122 6.157 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.543 -5.703 7.316 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.732 -4.172 7.055 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.584 -4.214 9.328 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.833 -4.267 9.389 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.288 -6.890 9.315 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.383 -5.960 10.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.416 -6.812 11.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.725 -5.871 10.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.203 -7.469 9.759 1.00 0.00 H new ATOM 943 N ILE A 62 2.726 -4.043 5.273 1.00 0.00 N ATOM 944 CA ILE A 62 2.663 -2.963 4.295 1.00 0.00 C ATOM 945 C ILE A 62 1.704 -1.867 4.748 1.00 0.00 C ATOM 946 O ILE A 62 1.882 -0.696 4.414 1.00 0.00 O ATOM 947 CB ILE A 62 2.220 -3.482 2.912 1.00 0.00 C ATOM 948 CG1 ILE A 62 3.122 -4.632 2.460 1.00 0.00 C ATOM 949 CG2 ILE A 62 2.242 -2.355 1.888 1.00 0.00 C ATOM 950 CD1 ILE A 62 2.413 -5.652 1.595 1.00 0.00 C ATOM 0 H ILE A 62 2.457 -4.957 4.910 1.00 0.00 H new ATOM 0 HA ILE A 62 3.668 -2.550 4.213 1.00 0.00 H new ATOM 0 HB ILE A 62 1.199 -3.854 2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.968 -4.224 1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.528 -5.132 3.339 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.927 -2.739 0.918 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.562 -1.563 2.203 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.253 -1.955 1.809 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.113 -6.438 1.312 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.584 -6.088 2.152 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.031 -5.165 0.698 1.00 0.00 H new ATOM 962 N LEU A 63 0.687 -2.255 5.512 1.00 0.00 N ATOM 963 CA LEU A 63 -0.300 -1.304 6.011 1.00 0.00 C ATOM 964 C LEU A 63 0.274 -0.474 7.154 1.00 0.00 C ATOM 965 O LEU A 63 0.038 0.732 7.240 1.00 0.00 O ATOM 966 CB LEU A 63 -1.555 -2.041 6.480 1.00 0.00 C ATOM 967 CG LEU A 63 -2.230 -2.909 5.418 1.00 0.00 C ATOM 968 CD1 LEU A 63 -2.967 -4.070 6.067 1.00 0.00 C ATOM 969 CD2 LEU A 63 -3.184 -2.074 4.576 1.00 0.00 C ATOM 0 H LEU A 63 0.525 -3.220 5.799 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.565 -0.631 5.196 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.292 -2.672 7.329 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.276 -1.307 6.840 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.459 -3.315 4.764 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.441 -4.677 5.296 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.260 -4.682 6.627 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.729 -3.684 6.744 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.656 -2.707 3.825 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.950 -1.639 5.218 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.630 -1.276 4.081 1.00 0.00 H new ATOM 981 N ASP A 64 1.028 -1.127 8.033 1.00 0.00 N ATOM 982 CA ASP A 64 1.634 -0.450 9.173 1.00 0.00 C ATOM 983 C ASP A 64 2.692 0.548 8.714 1.00 0.00 C ATOM 984 O ASP A 64 2.911 1.575 9.357 1.00 0.00 O ATOM 985 CB ASP A 64 2.258 -1.473 10.126 1.00 0.00 C ATOM 986 CG ASP A 64 1.951 -1.168 11.579 1.00 0.00 C ATOM 987 OD1 ASP A 64 0.758 -1.180 11.949 1.00 0.00 O ATOM 988 OD2 ASP A 64 2.903 -0.920 12.348 1.00 0.00 O ATOM 0 H ASP A 64 1.234 -2.124 7.977 1.00 0.00 H new ATOM 0 HA ASP A 64 0.851 0.096 9.699 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.888 -2.468 9.880 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.338 -1.490 9.981 1.00 0.00 H new ATOM 993 N LEU A 65 3.347 0.241 7.600 1.00 0.00 N ATOM 994 CA LEU A 65 4.383 1.112 7.056 1.00 0.00 C ATOM 995 C LEU A 65 3.772 2.363 6.435 1.00 0.00 C ATOM 996 O LEU A 65 4.159 3.485 6.765 1.00 0.00 O ATOM 997 CB LEU A 65 5.213 0.363 6.012 1.00 0.00 C ATOM 998 CG LEU A 65 6.258 -0.597 6.582 1.00 0.00 C ATOM 999 CD1 LEU A 65 6.762 -1.540 5.502 1.00 0.00 C ATOM 1000 CD2 LEU A 65 7.414 0.180 7.196 1.00 0.00 C ATOM 0 H LEU A 65 3.179 -0.605 7.055 1.00 0.00 H new ATOM 0 HA LEU A 65 5.033 1.416 7.876 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.537 -0.200 5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.719 1.093 5.381 1.00 0.00 H new ATOM 0 HG LEU A 65 5.789 -1.193 7.365 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.505 -2.215 5.926 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.928 -2.120 5.107 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.215 -0.962 4.697 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.149 -0.518 7.597 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.882 0.800 6.432 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.040 0.815 7.999 1.00 0.00 H new ATOM 1012 N VAL A 66 2.816 2.164 5.535 1.00 0.00 N ATOM 1013 CA VAL A 66 2.151 3.275 4.866 1.00 0.00 C ATOM 1014 C VAL A 66 1.444 4.178 5.872 1.00 0.00 C ATOM 1015 O VAL A 66 1.315 5.383 5.657 1.00 0.00 O ATOM 1016 CB VAL A 66 1.125 2.776 3.831 1.00 0.00 C ATOM 1017 CG1 VAL A 66 0.552 3.943 3.039 1.00 0.00 C ATOM 1018 CG2 VAL A 66 1.757 1.751 2.901 1.00 0.00 C ATOM 0 H VAL A 66 2.484 1.242 5.252 1.00 0.00 H new ATOM 0 HA VAL A 66 2.926 3.844 4.352 1.00 0.00 H new ATOM 0 HB VAL A 66 0.307 2.292 4.364 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.171 3.570 2.313 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.058 4.637 3.719 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.358 4.459 2.517 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.016 1.411 2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.596 2.206 2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.112 0.901 3.484 1.00 0.00 H new ATOM 1028 N GLN A 67 0.987 3.587 6.972 1.00 0.00 N ATOM 1029 CA GLN A 67 0.293 4.339 8.011 1.00 0.00 C ATOM 1030 C GLN A 67 1.264 5.221 8.788 1.00 0.00 C ATOM 1031 O GLN A 67 0.897 6.293 9.269 1.00 0.00 O ATOM 1032 CB GLN A 67 -0.423 3.384 8.968 1.00 0.00 C ATOM 1033 CG GLN A 67 -1.710 2.807 8.402 1.00 0.00 C ATOM 1034 CD GLN A 67 -2.323 1.753 9.303 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -2.318 1.886 10.526 1.00 0.00 O ATOM 1036 NE2 GLN A 67 -2.856 0.695 8.700 1.00 0.00 N ATOM 0 H GLN A 67 1.085 2.590 7.166 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.444 4.981 7.528 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.251 2.566 9.223 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.648 3.912 9.894 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.429 3.612 8.250 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.509 2.371 7.424 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.838 0.625 7.683 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.283 -0.047 9.255 1.00 0.00 H new ATOM 1045 N SER A 68 2.507 4.763 8.906 1.00 0.00 N ATOM 1046 CA SER A 68 3.533 5.511 9.624 1.00 0.00 C ATOM 1047 C SER A 68 3.995 6.717 8.812 1.00 0.00 C ATOM 1048 O SER A 68 4.373 7.747 9.370 1.00 0.00 O ATOM 1049 CB SER A 68 4.725 4.606 9.943 1.00 0.00 C ATOM 1050 OG SER A 68 4.677 4.155 11.285 1.00 0.00 O ATOM 0 H SER A 68 2.828 3.878 8.514 1.00 0.00 H new ATOM 0 HA SER A 68 3.100 5.870 10.558 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.727 3.750 9.268 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.654 5.149 9.771 1.00 0.00 H new ATOM 0 HG SER A 68 5.448 3.577 11.464 1.00 0.00 H new ATOM 1056 N LYS A 69 3.964 6.582 7.491 1.00 0.00 N ATOM 1057 CA LYS A 69 4.381 7.660 6.601 1.00 0.00 C ATOM 1058 C LYS A 69 3.429 8.848 6.703 1.00 0.00 C ATOM 1059 O LYS A 69 3.788 9.900 7.231 1.00 0.00 O ATOM 1060 CB LYS A 69 4.443 7.162 5.156 1.00 0.00 C ATOM 1061 CG LYS A 69 5.385 5.986 4.959 1.00 0.00 C ATOM 1062 CD LYS A 69 5.500 5.603 3.491 1.00 0.00 C ATOM 1063 CE LYS A 69 6.057 4.199 3.322 1.00 0.00 C ATOM 1064 NZ LYS A 69 7.217 4.171 2.388 1.00 0.00 N ATOM 0 H LYS A 69 3.654 5.736 7.012 1.00 0.00 H new ATOM 0 HA LYS A 69 5.375 7.987 6.907 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.442 6.873 4.837 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.759 7.982 4.511 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.371 6.239 5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.026 5.131 5.532 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.519 5.665 3.020 1.00 0.00 H new ATOM 0 HD3 LYS A 69 6.146 6.316 2.978 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.363 3.811 4.293 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.273 3.540 2.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.166 3.317 1.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.194 5.014 1.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.102 4.162 2.934 1.00 0.00 H new ATOM 1078 N GLY A 70 2.214 8.673 6.193 1.00 0.00 N ATOM 1079 CA GLY A 70 1.231 9.740 6.237 1.00 0.00 C ATOM 1080 C GLY A 70 0.217 9.643 5.115 1.00 0.00 C ATOM 1081 O GLY A 70 0.110 8.612 4.453 1.00 0.00 O ATOM 0 H GLY A 70 1.893 7.812 5.750 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.712 9.712 7.195 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.741 10.702 6.179 1.00 0.00 H new ATOM 1085 N GLU A 71 -0.531 10.722 4.903 1.00 0.00 N ATOM 1086 CA GLU A 71 -1.543 10.756 3.854 1.00 0.00 C ATOM 1087 C GLU A 71 -0.898 10.767 2.471 1.00 0.00 C ATOM 1088 O GLU A 71 -1.488 10.296 1.498 1.00 0.00 O ATOM 1089 CB GLU A 71 -2.438 11.986 4.022 1.00 0.00 C ATOM 1090 CG GLU A 71 -3.674 11.729 4.869 1.00 0.00 C ATOM 1091 CD GLU A 71 -4.956 11.779 4.061 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -5.036 11.078 3.031 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -5.880 12.518 4.459 1.00 0.00 O ATOM 0 H GLU A 71 -0.455 11.583 5.444 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.151 9.856 3.942 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.857 12.788 4.477 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.749 12.336 3.038 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.587 10.752 5.345 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.723 12.469 5.667 1.00 0.00 H new ATOM 1100 N GLU A 72 0.314 11.307 2.390 1.00 0.00 N ATOM 1101 CA GLU A 72 1.038 11.379 1.125 1.00 0.00 C ATOM 1102 C GLU A 72 1.188 9.995 0.499 1.00 0.00 C ATOM 1103 O GLU A 72 1.246 9.858 -0.722 1.00 0.00 O ATOM 1104 CB GLU A 72 2.416 12.006 1.337 1.00 0.00 C ATOM 1105 CG GLU A 72 2.907 12.816 0.148 1.00 0.00 C ATOM 1106 CD GLU A 72 3.726 14.023 0.562 1.00 0.00 C ATOM 1107 OE1 GLU A 72 3.422 14.611 1.621 1.00 0.00 O ATOM 1108 OE2 GLU A 72 4.671 14.379 -0.173 1.00 0.00 O ATOM 0 H GLU A 72 0.816 11.701 3.186 1.00 0.00 H new ATOM 0 HA GLU A 72 0.461 12.004 0.443 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.381 12.651 2.215 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.136 11.216 1.550 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.509 12.177 -0.498 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.051 13.147 -0.440 1.00 0.00 H new ATOM 1115 N VAL A 73 1.250 8.971 1.345 1.00 0.00 N ATOM 1116 CA VAL A 73 1.393 7.599 0.875 1.00 0.00 C ATOM 1117 C VAL A 73 0.084 6.829 1.019 1.00 0.00 C ATOM 1118 O VAL A 73 -0.205 5.925 0.236 1.00 0.00 O ATOM 1119 CB VAL A 73 2.502 6.852 1.641 1.00 0.00 C ATOM 1120 CG1 VAL A 73 2.748 5.481 1.030 1.00 0.00 C ATOM 1121 CG2 VAL A 73 3.784 7.672 1.662 1.00 0.00 C ATOM 0 H VAL A 73 1.203 9.066 2.359 1.00 0.00 H new ATOM 0 HA VAL A 73 1.666 7.654 -0.179 1.00 0.00 H new ATOM 0 HB VAL A 73 2.171 6.710 2.670 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.535 4.971 1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.831 4.893 1.075 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.054 5.596 -0.010 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.555 7.128 2.207 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.119 7.850 0.640 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.597 8.627 2.154 1.00 0.00 H new ATOM 1131 N SER A 74 -0.704 7.195 2.024 1.00 0.00 N ATOM 1132 CA SER A 74 -1.984 6.539 2.272 1.00 0.00 C ATOM 1133 C SER A 74 -2.893 6.637 1.052 1.00 0.00 C ATOM 1134 O SER A 74 -3.642 5.708 0.747 1.00 0.00 O ATOM 1135 CB SER A 74 -2.673 7.160 3.488 1.00 0.00 C ATOM 1136 OG SER A 74 -3.835 6.431 3.845 1.00 0.00 O ATOM 0 H SER A 74 -0.479 7.943 2.681 1.00 0.00 H new ATOM 0 HA SER A 74 -1.790 5.485 2.473 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.981 7.182 4.330 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.942 8.193 3.269 1.00 0.00 H new ATOM 0 HG SER A 74 -3.865 5.594 3.337 1.00 0.00 H new ATOM 1142 N GLU A 75 -2.824 7.767 0.356 1.00 0.00 N ATOM 1143 CA GLU A 75 -3.642 7.985 -0.831 1.00 0.00 C ATOM 1144 C GLU A 75 -3.122 7.167 -2.008 1.00 0.00 C ATOM 1145 O GLU A 75 -3.893 6.507 -2.707 1.00 0.00 O ATOM 1146 CB GLU A 75 -3.661 9.471 -1.197 1.00 0.00 C ATOM 1147 CG GLU A 75 -4.972 9.928 -1.815 1.00 0.00 C ATOM 1148 CD GLU A 75 -5.356 11.333 -1.393 1.00 0.00 C ATOM 1149 OE1 GLU A 75 -4.448 12.178 -1.248 1.00 0.00 O ATOM 1150 OE2 GLU A 75 -6.565 11.589 -1.211 1.00 0.00 O ATOM 0 H GLU A 75 -2.210 8.546 0.594 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.658 7.660 -0.606 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.467 10.060 -0.301 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.849 9.675 -1.895 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.891 9.888 -2.901 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.765 9.237 -1.529 1.00 0.00 H new ATOM 1157 N PHE A 76 -1.812 7.212 -2.222 1.00 0.00 N ATOM 1158 CA PHE A 76 -1.189 6.474 -3.315 1.00 0.00 C ATOM 1159 C PHE A 76 -1.367 4.971 -3.127 1.00 0.00 C ATOM 1160 O PHE A 76 -1.612 4.239 -4.086 1.00 0.00 O ATOM 1161 CB PHE A 76 0.299 6.816 -3.407 1.00 0.00 C ATOM 1162 CG PHE A 76 0.960 6.291 -4.650 1.00 0.00 C ATOM 1163 CD1 PHE A 76 0.920 7.016 -5.831 1.00 0.00 C ATOM 1164 CD2 PHE A 76 1.619 5.073 -4.638 1.00 0.00 C ATOM 1165 CE1 PHE A 76 1.527 6.536 -6.975 1.00 0.00 C ATOM 1166 CE2 PHE A 76 2.227 4.588 -5.780 1.00 0.00 C ATOM 1167 CZ PHE A 76 2.182 5.320 -6.950 1.00 0.00 C ATOM 0 H PHE A 76 -1.160 7.752 -1.653 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.679 6.766 -4.244 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.417 7.899 -3.372 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.811 6.411 -2.534 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.408 7.967 -5.857 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.658 4.496 -3.726 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.490 7.111 -7.888 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.737 3.636 -5.758 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.658 4.943 -7.843 1.00 0.00 H new ATOM 1177 N PHE A 77 -1.242 4.516 -1.884 1.00 0.00 N ATOM 1178 CA PHE A 77 -1.390 3.100 -1.569 1.00 0.00 C ATOM 1179 C PHE A 77 -2.820 2.633 -1.816 1.00 0.00 C ATOM 1180 O PHE A 77 -3.047 1.516 -2.280 1.00 0.00 O ATOM 1181 CB PHE A 77 -1.000 2.837 -0.113 1.00 0.00 C ATOM 1182 CG PHE A 77 -0.897 1.377 0.228 1.00 0.00 C ATOM 1183 CD1 PHE A 77 0.178 0.623 -0.216 1.00 0.00 C ATOM 1184 CD2 PHE A 77 -1.875 0.759 0.990 1.00 0.00 C ATOM 1185 CE1 PHE A 77 0.276 -0.720 0.096 1.00 0.00 C ATOM 1186 CE2 PHE A 77 -1.783 -0.583 1.304 1.00 0.00 C ATOM 1187 CZ PHE A 77 -0.706 -1.323 0.857 1.00 0.00 C ATOM 0 H PHE A 77 -1.039 5.108 -1.079 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.725 2.537 -2.224 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.043 3.317 0.090 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.736 3.303 0.542 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.948 1.090 -0.812 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.719 1.333 1.343 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.119 -1.297 -0.255 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.552 -1.053 1.898 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.632 -2.372 1.102 1.00 0.00 H new ATOM 1197 N LEU A 78 -3.781 3.497 -1.505 1.00 0.00 N ATOM 1198 CA LEU A 78 -5.191 3.172 -1.694 1.00 0.00 C ATOM 1199 C LEU A 78 -5.589 3.307 -3.160 1.00 0.00 C ATOM 1200 O LEU A 78 -6.467 2.591 -3.644 1.00 0.00 O ATOM 1201 CB LEU A 78 -6.065 4.083 -0.829 1.00 0.00 C ATOM 1202 CG LEU A 78 -6.358 3.555 0.576 1.00 0.00 C ATOM 1203 CD1 LEU A 78 -6.418 4.700 1.575 1.00 0.00 C ATOM 1204 CD2 LEU A 78 -7.660 2.767 0.587 1.00 0.00 C ATOM 0 H LEU A 78 -3.610 4.427 -1.121 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.344 2.137 -1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.576 5.053 -0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.012 4.248 -1.343 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.548 2.887 0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.627 4.305 2.569 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.462 5.223 1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.208 5.394 1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.854 2.398 1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.479 3.414 0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.581 1.924 -0.099 1.00 0.00 H new ATOM 1216 N TYR A 79 -4.939 4.228 -3.863 1.00 0.00 N ATOM 1217 CA TYR A 79 -5.225 4.457 -5.274 1.00 0.00 C ATOM 1218 C TYR A 79 -4.780 3.267 -6.120 1.00 0.00 C ATOM 1219 O TYR A 79 -5.430 2.916 -7.105 1.00 0.00 O ATOM 1220 CB TYR A 79 -4.529 5.730 -5.757 1.00 0.00 C ATOM 1221 CG TYR A 79 -5.297 6.471 -6.828 1.00 0.00 C ATOM 1222 CD1 TYR A 79 -5.517 5.900 -8.074 1.00 0.00 C ATOM 1223 CD2 TYR A 79 -5.803 7.744 -6.591 1.00 0.00 C ATOM 1224 CE1 TYR A 79 -6.219 6.574 -9.055 1.00 0.00 C ATOM 1225 CE2 TYR A 79 -6.507 8.424 -7.567 1.00 0.00 C ATOM 1226 CZ TYR A 79 -6.711 7.835 -8.796 1.00 0.00 C ATOM 1227 OH TYR A 79 -7.411 8.510 -9.770 1.00 0.00 O ATOM 0 H TYR A 79 -4.210 4.828 -3.478 1.00 0.00 H new ATOM 0 HA TYR A 79 -6.303 4.576 -5.386 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.375 6.395 -4.907 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.543 5.471 -6.142 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.133 4.912 -8.280 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -5.644 8.209 -5.629 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -6.381 6.115 -10.019 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.895 9.412 -7.367 1.00 0.00 H new ATOM 0 HH TYR A 79 -7.689 9.385 -9.426 1.00 0.00 H new ATOM 1237 N LEU A 80 -3.669 2.652 -5.731 1.00 0.00 N ATOM 1238 CA LEU A 80 -3.137 1.503 -6.454 1.00 0.00 C ATOM 1239 C LEU A 80 -4.143 0.357 -6.468 1.00 0.00 C ATOM 1240 O LEU A 80 -4.333 -0.303 -7.490 1.00 0.00 O ATOM 1241 CB LEU A 80 -1.825 1.038 -5.822 1.00 0.00 C ATOM 1242 CG LEU A 80 -0.637 1.981 -6.026 1.00 0.00 C ATOM 1243 CD1 LEU A 80 0.473 1.662 -5.039 1.00 0.00 C ATOM 1244 CD2 LEU A 80 -0.126 1.889 -7.456 1.00 0.00 C ATOM 0 H LEU A 80 -3.119 2.930 -4.918 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.947 1.809 -7.483 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.983 0.903 -4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.568 0.061 -6.232 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.971 3.003 -5.845 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.309 2.343 -5.199 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.100 1.779 -4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.808 0.635 -5.187 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.719 2.566 -7.585 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.192 0.867 -7.664 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.923 2.168 -8.146 1.00 0.00 H new ATOM 1256 N LEU A 81 -4.783 0.124 -5.326 1.00 0.00 N ATOM 1257 CA LEU A 81 -5.769 -0.944 -5.208 1.00 0.00 C ATOM 1258 C LEU A 81 -6.920 -0.736 -6.187 1.00 0.00 C ATOM 1259 O LEU A 81 -7.534 -1.696 -6.651 1.00 0.00 O ATOM 1260 CB LEU A 81 -6.308 -1.012 -3.777 1.00 0.00 C ATOM 1261 CG LEU A 81 -5.247 -1.228 -2.696 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -5.636 -0.508 -1.415 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -5.050 -2.715 -2.435 1.00 0.00 C ATOM 0 H LEU A 81 -4.636 0.660 -4.471 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.277 -1.886 -5.450 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.842 -0.086 -3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.036 -1.821 -3.717 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.304 -0.812 -3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.870 -0.673 -0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.728 0.560 -1.612 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.590 -0.894 -1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.292 -2.852 -1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.990 -3.154 -2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.726 -3.206 -3.353 1.00 0.00 H new ATOM 1275 N GLN A 82 -7.208 0.525 -6.496 1.00 0.00 N ATOM 1276 CA GLN A 82 -8.287 0.859 -7.420 1.00 0.00 C ATOM 1277 C GLN A 82 -7.915 0.482 -8.851 1.00 0.00 C ATOM 1278 O GLN A 82 -8.679 -0.189 -9.544 1.00 0.00 O ATOM 1279 CB GLN A 82 -8.611 2.352 -7.341 1.00 0.00 C ATOM 1280 CG GLN A 82 -10.057 2.679 -7.675 1.00 0.00 C ATOM 1281 CD GLN A 82 -10.186 3.607 -8.868 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -9.534 3.413 -9.894 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -11.030 4.624 -8.738 1.00 0.00 N ATOM 0 H GLN A 82 -6.710 1.332 -6.120 1.00 0.00 H new ATOM 0 HA GLN A 82 -9.169 0.287 -7.131 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.389 2.711 -6.336 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.957 2.894 -8.025 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.597 1.754 -7.879 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.531 3.140 -6.808 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -11.550 4.747 -7.869 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -11.158 5.282 -9.507 1.00 0.00 H new ATOM 1292 N GLN A 83 -6.738 0.919 -9.287 1.00 0.00 N ATOM 1293 CA GLN A 83 -6.267 0.627 -10.636 1.00 0.00 C ATOM 1294 C GLN A 83 -5.942 -0.854 -10.789 1.00 0.00 C ATOM 1295 O GLN A 83 -6.364 -1.497 -11.751 1.00 0.00 O ATOM 1296 CB GLN A 83 -5.030 1.468 -10.960 1.00 0.00 C ATOM 1297 CG GLN A 83 -5.233 2.959 -10.740 1.00 0.00 C ATOM 1298 CD GLN A 83 -5.167 3.755 -12.030 1.00 0.00 C ATOM 1299 OE1 GLN A 83 -5.887 3.469 -12.987 1.00 0.00 O ATOM 1300 NE2 GLN A 83 -4.300 4.760 -12.062 1.00 0.00 N ATOM 0 H GLN A 83 -6.093 1.476 -8.726 1.00 0.00 H new ATOM 0 HA GLN A 83 -7.064 0.880 -11.335 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.198 1.128 -10.343 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -4.747 1.298 -11.999 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.200 3.124 -10.265 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.473 3.327 -10.051 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -3.723 4.962 -11.246 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -4.211 5.330 -12.903 1.00 0.00 H new ATOM 1309 N LEU A 84 -5.189 -1.391 -9.835 1.00 0.00 N ATOM 1310 CA LEU A 84 -4.806 -2.799 -9.862 1.00 0.00 C ATOM 1311 C LEU A 84 -6.011 -3.708 -9.622 1.00 0.00 C ATOM 1312 O LEU A 84 -5.937 -4.917 -9.841 1.00 0.00 O ATOM 1313 CB LEU A 84 -3.729 -3.074 -8.812 1.00 0.00 C ATOM 1314 CG LEU A 84 -2.442 -2.264 -8.975 1.00 0.00 C ATOM 1315 CD1 LEU A 84 -1.659 -2.237 -7.671 1.00 0.00 C ATOM 1316 CD2 LEU A 84 -1.591 -2.835 -10.098 1.00 0.00 C ATOM 0 H LEU A 84 -4.831 -0.873 -9.033 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.408 -3.018 -10.853 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.145 -2.871 -7.825 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.479 -4.134 -8.840 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.711 -1.240 -9.235 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.747 -1.656 -7.806 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.268 -1.780 -6.891 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.401 -3.255 -7.380 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.680 -2.246 -10.199 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.332 -3.868 -9.868 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.151 -2.801 -11.032 1.00 0.00 H new ATOM 1328 N ALA A 85 -7.118 -3.124 -9.168 1.00 0.00 N ATOM 1329 CA ALA A 85 -8.332 -3.889 -8.899 1.00 0.00 C ATOM 1330 C ALA A 85 -8.749 -4.715 -10.113 1.00 0.00 C ATOM 1331 O ALA A 85 -9.384 -5.760 -9.977 1.00 0.00 O ATOM 1332 CB ALA A 85 -9.459 -2.958 -8.478 1.00 0.00 C ATOM 0 H ALA A 85 -7.199 -2.125 -8.979 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.120 -4.580 -8.083 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.358 -3.541 -8.281 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.169 -2.421 -7.575 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.658 -2.243 -9.277 1.00 0.00 H new ATOM 1338 N ASP A 86 -8.388 -4.237 -11.301 1.00 0.00 N ATOM 1339 CA ASP A 86 -8.727 -4.933 -12.538 1.00 0.00 C ATOM 1340 C ASP A 86 -8.155 -6.348 -12.544 1.00 0.00 C ATOM 1341 O ASP A 86 -8.730 -7.256 -13.144 1.00 0.00 O ATOM 1342 CB ASP A 86 -8.203 -4.153 -13.745 1.00 0.00 C ATOM 1343 CG ASP A 86 -8.985 -2.879 -13.994 1.00 0.00 C ATOM 1344 OD1 ASP A 86 -10.107 -2.968 -14.537 1.00 0.00 O ATOM 1345 OD2 ASP A 86 -8.477 -1.792 -13.647 1.00 0.00 O ATOM 0 H ASP A 86 -7.862 -3.373 -11.433 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.813 -5.001 -12.601 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.153 -3.906 -13.587 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.252 -4.785 -14.632 1.00 0.00 H new ATOM 1350 N ALA A 87 -7.023 -6.526 -11.872 1.00 0.00 N ATOM 1351 CA ALA A 87 -6.375 -7.830 -11.801 1.00 0.00 C ATOM 1352 C ALA A 87 -6.557 -8.457 -10.423 1.00 0.00 C ATOM 1353 O ALA A 87 -5.670 -9.151 -9.923 1.00 0.00 O ATOM 1354 CB ALA A 87 -4.897 -7.703 -12.134 1.00 0.00 C ATOM 0 H ALA A 87 -6.536 -5.784 -11.369 1.00 0.00 H new ATOM 0 HA ALA A 87 -6.846 -8.484 -12.535 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.426 -8.684 -12.077 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.784 -7.304 -13.142 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.420 -7.030 -11.422 1.00 0.00 H new ATOM 1360 N TYR A 88 -7.711 -8.210 -9.813 1.00 0.00 N ATOM 1361 CA TYR A 88 -8.011 -8.750 -8.492 1.00 0.00 C ATOM 1362 C TYR A 88 -9.392 -9.396 -8.471 1.00 0.00 C ATOM 1363 O TYR A 88 -10.315 -8.933 -9.141 1.00 0.00 O ATOM 1364 CB TYR A 88 -7.934 -7.646 -7.436 1.00 0.00 C ATOM 1365 CG TYR A 88 -6.574 -7.519 -6.789 1.00 0.00 C ATOM 1366 CD1 TYR A 88 -6.073 -8.529 -5.977 1.00 0.00 C ATOM 1367 CD2 TYR A 88 -5.792 -6.388 -6.988 1.00 0.00 C ATOM 1368 CE1 TYR A 88 -4.829 -8.415 -5.383 1.00 0.00 C ATOM 1369 CE2 TYR A 88 -4.548 -6.268 -6.398 1.00 0.00 C ATOM 1370 CZ TYR A 88 -4.072 -7.283 -5.596 1.00 0.00 C ATOM 1371 OH TYR A 88 -2.834 -7.168 -5.006 1.00 0.00 O ATOM 0 H TYR A 88 -8.455 -7.638 -10.213 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.268 -9.514 -8.261 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.197 -6.694 -7.898 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.677 -7.842 -6.663 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.664 -9.417 -5.807 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.162 -5.590 -7.614 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.453 -9.209 -4.755 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -3.952 -5.383 -6.565 1.00 0.00 H new ATOM 0 HH TYR A 88 -2.430 -6.311 -5.258 1.00 0.00 H new ATOM 1381 N VAL A 89 -9.527 -10.468 -7.696 1.00 0.00 N ATOM 1382 CA VAL A 89 -10.796 -11.176 -7.587 1.00 0.00 C ATOM 1383 C VAL A 89 -11.518 -10.813 -6.294 1.00 0.00 C ATOM 1384 O VAL A 89 -12.688 -10.429 -6.312 1.00 0.00 O ATOM 1385 CB VAL A 89 -10.594 -12.702 -7.637 1.00 0.00 C ATOM 1386 CG1 VAL A 89 -11.934 -13.417 -7.723 1.00 0.00 C ATOM 1387 CG2 VAL A 89 -9.701 -13.085 -8.807 1.00 0.00 C ATOM 0 H VAL A 89 -8.773 -10.864 -7.135 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.403 -10.869 -8.438 1.00 0.00 H new ATOM 0 HB VAL A 89 -10.101 -13.014 -6.716 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.770 -14.494 -7.757 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -12.535 -13.169 -6.848 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -12.458 -13.101 -8.625 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.570 -14.167 -8.826 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -10.163 -12.759 -9.739 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.729 -12.604 -8.696 1.00 0.00 H new ATOM 1397 N ASP A 90 -10.814 -10.938 -5.173 1.00 0.00 N ATOM 1398 CA ASP A 90 -11.388 -10.623 -3.871 1.00 0.00 C ATOM 1399 C ASP A 90 -11.669 -9.128 -3.748 1.00 0.00 C ATOM 1400 O ASP A 90 -12.608 -8.718 -3.064 1.00 0.00 O ATOM 1401 CB ASP A 90 -10.446 -11.070 -2.753 1.00 0.00 C ATOM 1402 CG ASP A 90 -10.721 -12.490 -2.299 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -11.867 -12.955 -2.467 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -9.789 -13.136 -1.775 1.00 0.00 O ATOM 0 H ASP A 90 -9.845 -11.255 -5.141 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.331 -11.161 -3.778 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.415 -10.995 -3.099 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.547 -10.394 -1.904 1.00 0.00 H new ATOM 1409 N LEU A 91 -10.851 -8.320 -4.414 1.00 0.00 N ATOM 1410 CA LEU A 91 -11.012 -6.871 -4.379 1.00 0.00 C ATOM 1411 C LEU A 91 -11.824 -6.387 -5.575 1.00 0.00 C ATOM 1412 O LEU A 91 -11.483 -6.666 -6.725 1.00 0.00 O ATOM 1413 CB LEU A 91 -9.644 -6.185 -4.365 1.00 0.00 C ATOM 1414 CG LEU A 91 -8.801 -6.449 -3.116 1.00 0.00 C ATOM 1415 CD1 LEU A 91 -7.361 -6.015 -3.343 1.00 0.00 C ATOM 1416 CD2 LEU A 91 -9.393 -5.729 -1.914 1.00 0.00 C ATOM 0 H LEU A 91 -10.070 -8.644 -4.984 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.550 -6.611 -3.467 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.082 -6.511 -5.240 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.792 -5.110 -4.464 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.808 -7.520 -2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.776 -6.210 -2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.940 -6.574 -4.179 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.334 -4.949 -3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.782 -5.927 -1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.415 -4.656 -2.107 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.408 -6.087 -1.739 1.00 0.00 H new ATOM 1428 N ARG A 92 -12.900 -5.657 -5.297 1.00 0.00 N ATOM 1429 CA ARG A 92 -13.763 -5.132 -6.349 1.00 0.00 C ATOM 1430 C ARG A 92 -14.917 -4.328 -5.754 1.00 0.00 C ATOM 1431 O ARG A 92 -15.055 -3.134 -6.021 1.00 0.00 O ATOM 1432 CB ARG A 92 -14.308 -6.275 -7.211 1.00 0.00 C ATOM 1433 CG ARG A 92 -13.838 -6.226 -8.655 1.00 0.00 C ATOM 1434 CD ARG A 92 -14.464 -7.337 -9.482 1.00 0.00 C ATOM 1435 NE ARG A 92 -14.130 -7.222 -10.899 1.00 0.00 N ATOM 1436 CZ ARG A 92 -14.588 -8.047 -11.838 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -15.400 -9.046 -11.515 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -14.235 -7.872 -13.104 1.00 0.00 N ATOM 0 H ARG A 92 -13.195 -5.416 -4.351 1.00 0.00 H new ATOM 0 HA ARG A 92 -13.168 -4.468 -6.977 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -14.006 -7.226 -6.772 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -15.397 -6.246 -7.191 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -14.093 -5.259 -9.089 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.752 -6.314 -8.689 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -14.125 -8.303 -9.107 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -15.547 -7.311 -9.362 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.509 -6.465 -11.186 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -15.676 -9.185 -10.543 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -15.748 -9.675 -12.239 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.612 -7.105 -13.359 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.586 -8.504 -13.823 1.00 0.00 H new ATOM 1452 N PRO A 93 -15.765 -4.974 -4.934 1.00 0.00 N ATOM 1453 CA PRO A 93 -16.908 -4.312 -4.302 1.00 0.00 C ATOM 1454 C PRO A 93 -16.489 -3.399 -3.154 1.00 0.00 C ATOM 1455 O PRO A 93 -17.178 -2.431 -2.835 1.00 0.00 O ATOM 1456 CB PRO A 93 -17.743 -5.481 -3.778 1.00 0.00 C ATOM 1457 CG PRO A 93 -16.753 -6.564 -3.522 1.00 0.00 C ATOM 1458 CD PRO A 93 -15.674 -6.399 -4.560 1.00 0.00 C ATOM 0 HA PRO A 93 -17.442 -3.664 -4.997 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -18.278 -5.210 -2.868 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.491 -5.792 -4.507 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.341 -6.485 -2.516 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -17.221 -7.546 -3.599 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -14.691 -6.646 -4.159 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -15.841 -7.050 -5.418 1.00 0.00 H new ATOM 1466 N TRP A 94 -15.355 -3.714 -2.539 1.00 0.00 N ATOM 1467 CA TRP A 94 -14.841 -2.922 -1.427 1.00 0.00 C ATOM 1468 C TRP A 94 -14.600 -1.478 -1.852 1.00 0.00 C ATOM 1469 O TRP A 94 -14.822 -0.547 -1.077 1.00 0.00 O ATOM 1470 CB TRP A 94 -13.543 -3.534 -0.896 1.00 0.00 C ATOM 1471 CG TRP A 94 -12.975 -2.800 0.281 1.00 0.00 C ATOM 1472 CD1 TRP A 94 -13.596 -2.557 1.472 1.00 0.00 C ATOM 1473 CD2 TRP A 94 -11.674 -2.210 0.378 1.00 0.00 C ATOM 1474 NE1 TRP A 94 -12.759 -1.854 2.305 1.00 0.00 N ATOM 1475 CE2 TRP A 94 -11.573 -1.629 1.656 1.00 0.00 C ATOM 1476 CE3 TRP A 94 -10.583 -2.118 -0.491 1.00 0.00 C ATOM 1477 CZ2 TRP A 94 -10.426 -0.966 2.085 1.00 0.00 C ATOM 1478 CZ3 TRP A 94 -9.444 -1.460 -0.064 1.00 0.00 C ATOM 1479 CH2 TRP A 94 -9.374 -0.892 1.214 1.00 0.00 C ATOM 0 H TRP A 94 -14.773 -4.513 -2.792 1.00 0.00 H new ATOM 0 HA TRP A 94 -15.589 -2.927 -0.634 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -13.728 -4.570 -0.613 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -12.803 -3.549 -1.696 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -14.598 -2.871 1.723 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -12.984 -1.549 3.252 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.629 -2.553 -1.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -10.369 -0.526 3.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -8.595 -1.383 -0.727 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -8.470 -0.385 1.518 1.00 0.00 H new ATOM 1490 N LEU A 95 -14.146 -1.298 -3.088 1.00 0.00 N ATOM 1491 CA LEU A 95 -13.873 0.034 -3.616 1.00 0.00 C ATOM 1492 C LEU A 95 -15.133 0.896 -3.598 1.00 0.00 C ATOM 1493 O LEU A 95 -15.062 2.114 -3.435 1.00 0.00 O ATOM 1494 CB LEU A 95 -13.329 -0.062 -5.043 1.00 0.00 C ATOM 1495 CG LEU A 95 -12.107 -0.967 -5.209 1.00 0.00 C ATOM 1496 CD1 LEU A 95 -11.940 -1.374 -6.664 1.00 0.00 C ATOM 1497 CD2 LEU A 95 -10.854 -0.267 -4.703 1.00 0.00 C ATOM 0 H LEU A 95 -13.959 -2.058 -3.743 1.00 0.00 H new ATOM 0 HA LEU A 95 -13.124 0.503 -2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -14.123 -0.426 -5.695 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -13.070 0.940 -5.385 1.00 0.00 H new ATOM 0 HG LEU A 95 -12.261 -1.868 -4.616 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -11.066 -2.018 -6.764 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -12.827 -1.913 -6.995 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -11.807 -0.483 -7.278 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -9.994 -0.925 -4.828 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.695 0.650 -5.270 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -10.974 -0.024 -3.647 1.00 0.00 H new ATOM 1509 N LEU A 96 -16.285 0.255 -3.764 1.00 0.00 N ATOM 1510 CA LEU A 96 -17.560 0.963 -3.765 1.00 0.00 C ATOM 1511 C LEU A 96 -18.020 1.258 -2.341 1.00 0.00 C ATOM 1512 O LEU A 96 -18.689 2.259 -2.089 1.00 0.00 O ATOM 1513 CB LEU A 96 -18.623 0.141 -4.497 1.00 0.00 C ATOM 1514 CG LEU A 96 -18.316 -0.151 -5.968 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -18.860 -1.514 -6.366 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -18.897 0.938 -6.857 1.00 0.00 C ATOM 0 H LEU A 96 -16.362 -0.753 -3.900 1.00 0.00 H new ATOM 0 HA LEU A 96 -17.421 1.910 -4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -18.752 -0.806 -3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -19.574 0.670 -4.438 1.00 0.00 H new ATOM 0 HG LEU A 96 -17.234 -0.163 -6.100 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -18.632 -1.704 -7.415 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -18.398 -2.285 -5.749 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -19.940 -1.531 -6.220 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -18.670 0.716 -7.900 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -19.978 0.980 -6.722 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -18.460 1.899 -6.587 1.00 0.00 H new ATOM 1528 N GLU A 97 -17.657 0.377 -1.413 1.00 0.00 N ATOM 1529 CA GLU A 97 -18.034 0.543 -0.015 1.00 0.00 C ATOM 1530 C GLU A 97 -17.213 1.648 0.643 1.00 0.00 C ATOM 1531 O GLU A 97 -17.738 2.448 1.417 1.00 0.00 O ATOM 1532 CB GLU A 97 -17.843 -0.770 0.746 1.00 0.00 C ATOM 1533 CG GLU A 97 -18.562 -1.951 0.114 1.00 0.00 C ATOM 1534 CD GLU A 97 -18.706 -3.123 1.064 1.00 0.00 C ATOM 1535 OE1 GLU A 97 -19.330 -2.948 2.132 1.00 0.00 O ATOM 1536 OE2 GLU A 97 -18.196 -4.216 0.741 1.00 0.00 O ATOM 0 H GLU A 97 -17.103 -0.458 -1.605 1.00 0.00 H new ATOM 0 HA GLU A 97 -19.086 0.826 0.020 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -16.778 -0.994 0.806 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -18.200 -0.643 1.768 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -19.551 -1.634 -0.218 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -18.015 -2.272 -0.773 1.00 0.00 H new ATOM 1543 N ILE A 98 -15.922 1.685 0.329 1.00 0.00 N ATOM 1544 CA ILE A 98 -15.029 2.692 0.891 1.00 0.00 C ATOM 1545 C ILE A 98 -15.337 4.076 0.328 1.00 0.00 C ATOM 1546 O ILE A 98 -15.176 5.085 1.015 1.00 0.00 O ATOM 1547 CB ILE A 98 -13.552 2.353 0.611 1.00 0.00 C ATOM 1548 CG1 ILE A 98 -13.300 2.270 -0.896 1.00 0.00 C ATOM 1549 CG2 ILE A 98 -13.171 1.046 1.290 1.00 0.00 C ATOM 1550 CD1 ILE A 98 -11.859 1.974 -1.253 1.00 0.00 C ATOM 0 H ILE A 98 -15.471 1.030 -0.311 1.00 0.00 H new ATOM 0 HA ILE A 98 -15.195 2.696 1.968 1.00 0.00 H new ATOM 0 HB ILE A 98 -12.929 3.148 1.020 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -13.938 1.495 -1.321 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -13.594 3.213 -1.358 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -12.125 0.820 1.083 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -13.316 1.139 2.366 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -13.799 0.241 0.908 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.754 1.930 -2.337 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -11.217 2.762 -0.858 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -11.566 1.017 -0.821 1.00 0.00 H new ATOM 1562 N GLY A 99 -15.778 4.116 -0.925 1.00 0.00 N ATOM 1563 CA GLY A 99 -16.101 5.381 -1.557 1.00 0.00 C ATOM 1564 C GLY A 99 -14.909 5.998 -2.262 1.00 0.00 C ATOM 1565 O GLY A 99 -14.546 7.143 -1.995 1.00 0.00 O ATOM 0 H GLY A 99 -15.917 3.295 -1.514 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.906 5.229 -2.276 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -16.473 6.075 -0.804 1.00 0.00 H new ATOM 1569 N PHE A 100 -14.300 5.236 -3.165 1.00 0.00 N ATOM 1570 CA PHE A 100 -13.142 5.714 -3.912 1.00 0.00 C ATOM 1571 C PHE A 100 -13.402 5.655 -5.414 1.00 0.00 C ATOM 1572 O PHE A 100 -13.641 4.584 -5.971 1.00 0.00 O ATOM 1573 CB PHE A 100 -11.907 4.880 -3.562 1.00 0.00 C ATOM 1574 CG PHE A 100 -10.666 5.701 -3.358 1.00 0.00 C ATOM 1575 CD1 PHE A 100 -10.147 6.466 -4.391 1.00 0.00 C ATOM 1576 CD2 PHE A 100 -10.017 5.709 -2.134 1.00 0.00 C ATOM 1577 CE1 PHE A 100 -9.007 7.223 -4.207 1.00 0.00 C ATOM 1578 CE2 PHE A 100 -8.875 6.464 -1.943 1.00 0.00 C ATOM 1579 CZ PHE A 100 -8.369 7.222 -2.981 1.00 0.00 C ATOM 0 H PHE A 100 -14.589 4.286 -3.397 1.00 0.00 H new ATOM 0 HA PHE A 100 -12.962 6.753 -3.634 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -12.109 4.310 -2.655 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -11.728 4.158 -4.359 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -10.640 6.470 -5.352 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -10.408 5.118 -1.319 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.614 7.815 -5.020 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -8.379 6.461 -0.984 1.00 0.00 H new ATOM 0 HZ PHE A 100 -7.477 7.813 -2.835 1.00 0.00 H new