USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=15 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 50 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 58 LYS NZ :NH3+ 180:sc=-0.00192 (180deg=-0.00192) USER MOD Single : A 8 HIS : no HD1:sc= -3.9! C(o=-3.9!,f=-4!) USER MOD Single : A 10 HIS : no HD1:sc= -1.49 X(o=-1.5,f=-1.7) USER MOD Single : A 12 GLN : amide:sc=-0.00153 X(o=-0.0015,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.393 K(o=0.39,f=-0.68) USER MOD Single : A 23 THR OG1 : rot 74:sc= 0.0257 USER MOD Single : A 24 HIS : no HD1:sc= -1.74 X(o=-1.7,f=-2.1) USER MOD Single : A 27 ASN : amide:sc= -0.535 K(o=-0.53,f=-4.8!) USER MOD Single : A 28 THR OG1 : rot 150:sc= 0.0368 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -2.48 K(o=-2.5,f=-0.6) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -1.99 K(o=-2,f=-3.5) USER MOD Single : A 40 TYR OH : rot 21:sc= 0.737 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 95:sc= -1.62 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.316 X(o=-0.32,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -137:sc= -0.389 (180deg=-1.48!) USER MOD Single : A 67 GLN : amide:sc= -0.306 X(o=-0.31,f=-0.57) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 153:sc= 0.0498 (180deg=0) USER MOD Single : A 74 SER OG : rot 131:sc= -0.511 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.234 K(o=-0.23,f=-2.2!) USER MOD Single : A 83 GLN : amide:sc=-0.00492 X(o=-0.0049,f=0) USER MOD Single : A 88 TYR OH : rot 154:sc= -0.792 USER MOD ----------------------------------------------------------------- ATOM 68 N HIS A 8 -8.046 11.571 8.986 1.00 0.00 N ATOM 69 CA HIS A 8 -7.359 10.756 7.992 1.00 0.00 C ATOM 70 C HIS A 8 -8.313 9.744 7.363 1.00 0.00 C ATOM 71 O HIS A 8 -8.444 8.619 7.848 1.00 0.00 O ATOM 72 CB HIS A 8 -6.173 10.029 8.629 1.00 0.00 C ATOM 73 CG HIS A 8 -5.205 10.945 9.310 1.00 0.00 C ATOM 74 ND1 HIS A 8 -4.736 10.752 10.590 1.00 0.00 N ATOM 75 CD2 HIS A 8 -4.614 12.083 8.863 1.00 0.00 C ATOM 76 CE1 HIS A 8 -3.894 11.754 10.875 1.00 0.00 C ATOM 77 NE2 HIS A 8 -3.785 12.589 9.859 1.00 0.00 N ATOM 0 HA HIS A 8 -6.992 11.418 7.208 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.547 9.306 9.354 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.647 9.465 7.859 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -4.764 12.525 7.889 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.372 11.864 11.814 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -3.211 13.431 9.813 1.00 0.00 H new ATOM 85 N PRO A 9 -8.994 10.129 6.270 1.00 0.00 N ATOM 86 CA PRO A 9 -9.940 9.247 5.577 1.00 0.00 C ATOM 87 C PRO A 9 -9.246 8.078 4.885 1.00 0.00 C ATOM 88 O PRO A 9 -9.866 7.052 4.610 1.00 0.00 O ATOM 89 CB PRO A 9 -10.597 10.166 4.545 1.00 0.00 C ATOM 90 CG PRO A 9 -9.602 11.250 4.313 1.00 0.00 C ATOM 91 CD PRO A 9 -8.897 11.452 5.625 1.00 0.00 C ATOM 0 HA PRO A 9 -10.647 8.788 6.268 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.820 9.630 3.623 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.540 10.567 4.916 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.897 10.971 3.530 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.093 12.167 3.988 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.860 11.755 5.482 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.375 12.227 6.223 1.00 0.00 H new ATOM 99 N HIS A 10 -7.956 8.239 4.603 1.00 0.00 N ATOM 100 CA HIS A 10 -7.182 7.195 3.941 1.00 0.00 C ATOM 101 C HIS A 10 -6.476 6.308 4.961 1.00 0.00 C ATOM 102 O HIS A 10 -6.372 5.095 4.776 1.00 0.00 O ATOM 103 CB HIS A 10 -6.157 7.816 2.991 1.00 0.00 C ATOM 104 CG HIS A 10 -6.763 8.398 1.752 1.00 0.00 C ATOM 105 ND1 HIS A 10 -6.944 9.747 1.547 1.00 0.00 N ATOM 106 CD2 HIS A 10 -7.235 7.783 0.638 1.00 0.00 C ATOM 107 CE1 HIS A 10 -7.507 9.908 0.342 1.00 0.00 C ATOM 108 NE2 HIS A 10 -7.704 8.746 -0.251 1.00 0.00 N ATOM 0 H HIS A 10 -7.426 9.082 4.823 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.872 6.577 3.367 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.611 8.597 3.520 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.430 7.055 2.707 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.245 6.716 0.468 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -7.766 10.864 -0.088 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -8.115 8.586 -1.171 1.00 0.00 H new ATOM 116 N ILE A 11 -5.991 6.920 6.037 1.00 0.00 N ATOM 117 CA ILE A 11 -5.293 6.184 7.085 1.00 0.00 C ATOM 118 C ILE A 11 -6.266 5.359 7.921 1.00 0.00 C ATOM 119 O ILE A 11 -5.920 4.284 8.412 1.00 0.00 O ATOM 120 CB ILE A 11 -4.513 7.133 8.015 1.00 0.00 C ATOM 121 CG1 ILE A 11 -3.668 8.109 7.194 1.00 0.00 C ATOM 122 CG2 ILE A 11 -3.635 6.336 8.969 1.00 0.00 C ATOM 123 CD1 ILE A 11 -2.878 9.084 8.039 1.00 0.00 C ATOM 0 H ILE A 11 -6.069 7.923 6.206 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.590 5.517 6.586 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.227 7.708 8.604 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.979 7.542 6.568 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.321 8.668 6.524 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.090 7.020 9.620 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.259 5.679 9.575 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.926 5.737 8.397 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.303 9.745 7.390 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.562 9.677 8.646 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.199 8.534 8.690 1.00 0.00 H new ATOM 135 N GLN A 12 -7.483 5.868 8.079 1.00 0.00 N ATOM 136 CA GLN A 12 -8.505 5.177 8.857 1.00 0.00 C ATOM 137 C GLN A 12 -9.016 3.948 8.113 1.00 0.00 C ATOM 138 O GLN A 12 -9.267 2.904 8.716 1.00 0.00 O ATOM 139 CB GLN A 12 -9.666 6.122 9.167 1.00 0.00 C ATOM 140 CG GLN A 12 -9.521 6.851 10.493 1.00 0.00 C ATOM 141 CD GLN A 12 -10.308 6.192 11.608 1.00 0.00 C ATOM 142 OE1 GLN A 12 -11.369 6.675 12.004 1.00 0.00 O ATOM 143 NE2 GLN A 12 -9.790 5.083 12.124 1.00 0.00 N ATOM 0 H GLN A 12 -7.786 6.756 7.679 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.054 4.850 9.794 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.750 6.856 8.366 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -10.595 5.552 9.175 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.467 6.889 10.770 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.857 7.881 10.376 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.908 4.717 11.765 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.274 4.597 12.879 1.00 0.00 H new ATOM 152 N LEU A 13 -9.171 4.079 6.800 1.00 0.00 N ATOM 153 CA LEU A 13 -9.653 2.978 5.973 1.00 0.00 C ATOM 154 C LEU A 13 -8.716 1.778 6.063 1.00 0.00 C ATOM 155 O LEU A 13 -9.150 0.631 5.960 1.00 0.00 O ATOM 156 CB LEU A 13 -9.788 3.427 4.517 1.00 0.00 C ATOM 157 CG LEU A 13 -11.010 4.298 4.219 1.00 0.00 C ATOM 158 CD1 LEU A 13 -10.956 4.823 2.793 1.00 0.00 C ATOM 159 CD2 LEU A 13 -12.292 3.512 4.451 1.00 0.00 C ATOM 0 H LEU A 13 -8.970 4.936 6.285 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.633 2.679 6.346 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.890 3.979 4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.828 2.542 3.882 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.000 5.150 4.899 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.833 5.440 2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.055 5.421 2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.941 3.984 2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.152 4.146 4.235 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.309 2.642 3.795 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.335 3.185 5.490 1.00 0.00 H new ATOM 171 N LEU A 14 -7.430 2.052 6.255 1.00 0.00 N ATOM 172 CA LEU A 14 -6.432 0.994 6.358 1.00 0.00 C ATOM 173 C LEU A 14 -6.532 0.279 7.702 1.00 0.00 C ATOM 174 O LEU A 14 -6.491 -0.950 7.767 1.00 0.00 O ATOM 175 CB LEU A 14 -5.026 1.571 6.177 1.00 0.00 C ATOM 176 CG LEU A 14 -4.741 2.156 4.793 1.00 0.00 C ATOM 177 CD1 LEU A 14 -3.482 3.009 4.823 1.00 0.00 C ATOM 178 CD2 LEU A 14 -4.609 1.046 3.762 1.00 0.00 C ATOM 0 H LEU A 14 -7.055 2.996 6.342 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.625 0.269 5.567 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.870 2.350 6.923 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.298 0.785 6.380 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.580 2.791 4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.295 3.417 3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.613 3.826 5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.634 2.396 5.129 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.406 1.481 2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.789 0.385 4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.537 0.476 3.721 1.00 0.00 H new ATOM 190 N LYS A 15 -6.662 1.056 8.771 1.00 0.00 N ATOM 191 CA LYS A 15 -6.768 0.497 10.115 1.00 0.00 C ATOM 192 C LYS A 15 -8.114 -0.192 10.313 1.00 0.00 C ATOM 193 O LYS A 15 -8.175 -1.351 10.725 1.00 0.00 O ATOM 194 CB LYS A 15 -6.585 1.596 11.163 1.00 0.00 C ATOM 195 CG LYS A 15 -5.269 2.347 11.035 1.00 0.00 C ATOM 196 CD LYS A 15 -5.369 3.747 11.616 1.00 0.00 C ATOM 197 CE LYS A 15 -4.009 4.268 12.051 1.00 0.00 C ATOM 198 NZ LYS A 15 -4.081 5.676 12.532 1.00 0.00 N ATOM 0 H LYS A 15 -6.697 2.075 8.734 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.979 -0.245 10.236 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.408 2.306 11.080 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.645 1.152 12.157 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.482 1.794 11.548 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.984 2.407 9.985 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.797 4.420 10.874 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.047 3.740 12.469 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.614 3.633 12.844 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.312 4.205 11.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.133 5.994 12.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.434 6.286 11.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.726 5.732 13.346 1.00 0.00 H new ATOM 212 N SER A 16 -9.190 0.529 10.020 1.00 0.00 N ATOM 213 CA SER A 16 -10.537 -0.012 10.168 1.00 0.00 C ATOM 214 C SER A 16 -10.733 -1.240 9.285 1.00 0.00 C ATOM 215 O SER A 16 -11.414 -2.190 9.670 1.00 0.00 O ATOM 216 CB SER A 16 -11.578 1.053 9.818 1.00 0.00 C ATOM 217 OG SER A 16 -12.892 0.528 9.896 1.00 0.00 O ATOM 0 H SER A 16 -9.157 1.490 9.679 1.00 0.00 H new ATOM 0 HA SER A 16 -10.668 -0.311 11.208 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.480 1.899 10.498 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.393 1.430 8.812 1.00 0.00 H new ATOM 0 HG SER A 16 -13.538 1.229 9.669 1.00 0.00 H new ATOM 223 N ASN A 17 -10.133 -1.214 8.099 1.00 0.00 N ATOM 224 CA ASN A 17 -10.243 -2.326 7.161 1.00 0.00 C ATOM 225 C ASN A 17 -8.885 -2.983 6.934 1.00 0.00 C ATOM 226 O ASN A 17 -8.542 -3.352 5.811 1.00 0.00 O ATOM 227 CB ASN A 17 -10.820 -1.843 5.829 1.00 0.00 C ATOM 228 CG ASN A 17 -12.022 -0.937 6.010 1.00 0.00 C ATOM 229 OD1 ASN A 17 -13.125 -1.399 6.297 1.00 0.00 O ATOM 230 ND2 ASN A 17 -11.811 0.364 5.845 1.00 0.00 N ATOM 0 H ASN A 17 -9.566 -0.435 7.765 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.916 -3.067 7.592 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.048 -1.310 5.274 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.107 -2.705 5.227 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.581 1.024 5.956 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.879 0.703 5.607 1.00 0.00 H new ATOM 237 N ARG A 18 -8.116 -3.125 8.009 1.00 0.00 N ATOM 238 CA ARG A 18 -6.795 -3.736 7.927 1.00 0.00 C ATOM 239 C ARG A 18 -6.903 -5.246 7.741 1.00 0.00 C ATOM 240 O ARG A 18 -6.330 -5.810 6.809 1.00 0.00 O ATOM 241 CB ARG A 18 -5.987 -3.423 9.188 1.00 0.00 C ATOM 242 CG ARG A 18 -4.483 -3.520 8.987 1.00 0.00 C ATOM 243 CD ARG A 18 -3.745 -3.546 10.315 1.00 0.00 C ATOM 244 NE ARG A 18 -3.853 -2.275 11.028 1.00 0.00 N ATOM 245 CZ ARG A 18 -3.409 -2.081 12.268 1.00 0.00 C ATOM 246 NH1 ARG A 18 -2.829 -3.071 12.936 1.00 0.00 N ATOM 247 NH2 ARG A 18 -3.547 -0.893 12.842 1.00 0.00 N ATOM 0 H ARG A 18 -8.385 -2.825 8.946 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.282 -3.318 7.061 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.236 -2.418 9.528 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.284 -4.110 9.980 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.248 -4.421 8.421 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.138 -2.672 8.394 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.147 -4.346 10.937 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.694 -3.775 10.141 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.294 -1.491 10.548 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.721 -3.987 12.499 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.491 -2.916 13.886 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.993 -0.130 12.333 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.207 -0.743 13.792 1.00 0.00 H new ATOM 261 N GLU A 19 -7.642 -5.895 8.635 1.00 0.00 N ATOM 262 CA GLU A 19 -7.825 -7.341 8.571 1.00 0.00 C ATOM 263 C GLU A 19 -8.486 -7.750 7.258 1.00 0.00 C ATOM 264 O GLU A 19 -8.206 -8.820 6.718 1.00 0.00 O ATOM 265 CB GLU A 19 -8.669 -7.823 9.752 1.00 0.00 C ATOM 266 CG GLU A 19 -7.860 -8.082 11.013 1.00 0.00 C ATOM 267 CD GLU A 19 -8.499 -9.121 11.913 1.00 0.00 C ATOM 268 OE1 GLU A 19 -9.451 -8.770 12.641 1.00 0.00 O ATOM 269 OE2 GLU A 19 -8.048 -10.285 11.889 1.00 0.00 O ATOM 0 H GLU A 19 -8.124 -5.443 9.412 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.841 -7.808 8.622 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.435 -7.078 9.968 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.187 -8.739 9.468 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.859 -8.413 10.736 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.746 -7.149 11.565 1.00 0.00 H new ATOM 276 N LEU A 20 -9.366 -6.892 6.752 1.00 0.00 N ATOM 277 CA LEU A 20 -10.067 -7.167 5.502 1.00 0.00 C ATOM 278 C LEU A 20 -9.096 -7.191 4.327 1.00 0.00 C ATOM 279 O LEU A 20 -9.189 -8.049 3.450 1.00 0.00 O ATOM 280 CB LEU A 20 -11.151 -6.114 5.261 1.00 0.00 C ATOM 281 CG LEU A 20 -12.176 -6.477 4.185 1.00 0.00 C ATOM 282 CD1 LEU A 20 -13.030 -7.652 4.636 1.00 0.00 C ATOM 283 CD2 LEU A 20 -13.049 -5.275 3.857 1.00 0.00 C ATOM 0 H LEU A 20 -9.611 -6.002 7.187 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.533 -8.149 5.584 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.678 -5.936 6.198 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.670 -5.176 4.982 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.640 -6.770 3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.753 -7.896 3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.392 -8.516 4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.558 -7.388 5.552 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.773 -5.550 3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -13.576 -4.952 4.755 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.424 -4.460 3.491 1.00 0.00 H new ATOM 295 N LEU A 21 -8.163 -6.243 4.316 1.00 0.00 N ATOM 296 CA LEU A 21 -7.174 -6.157 3.247 1.00 0.00 C ATOM 297 C LEU A 21 -6.261 -7.378 3.250 1.00 0.00 C ATOM 298 O LEU A 21 -5.776 -7.805 2.202 1.00 0.00 O ATOM 299 CB LEU A 21 -6.341 -4.883 3.399 1.00 0.00 C ATOM 300 CG LEU A 21 -6.951 -3.631 2.767 1.00 0.00 C ATOM 301 CD1 LEU A 21 -6.018 -2.441 2.934 1.00 0.00 C ATOM 302 CD2 LEU A 21 -7.253 -3.871 1.296 1.00 0.00 C ATOM 0 H LEU A 21 -8.072 -5.525 5.034 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.705 -6.126 2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.183 -4.695 4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.360 -5.054 2.956 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.887 -3.407 3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.468 -1.559 2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.851 -2.256 3.995 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.066 -2.654 2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.687 -2.970 0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.331 -4.119 0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.959 -4.696 1.199 1.00 0.00 H new ATOM 314 N VAL A 22 -6.028 -7.935 4.434 1.00 0.00 N ATOM 315 CA VAL A 22 -5.171 -9.106 4.573 1.00 0.00 C ATOM 316 C VAL A 22 -5.796 -10.328 3.911 1.00 0.00 C ATOM 317 O VAL A 22 -5.091 -11.203 3.409 1.00 0.00 O ATOM 318 CB VAL A 22 -4.891 -9.425 6.054 1.00 0.00 C ATOM 319 CG1 VAL A 22 -3.841 -10.518 6.175 1.00 0.00 C ATOM 320 CG2 VAL A 22 -4.456 -8.171 6.797 1.00 0.00 C ATOM 0 H VAL A 22 -6.421 -7.594 5.311 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.230 -8.869 4.076 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.812 -9.787 6.510 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.656 -10.730 7.228 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.197 -11.421 5.680 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.916 -10.187 5.704 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.263 -8.416 7.841 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.547 -7.776 6.343 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.246 -7.422 6.740 1.00 0.00 H new ATOM 330 N THR A 23 -7.124 -10.382 3.911 1.00 0.00 N ATOM 331 CA THR A 23 -7.844 -11.500 3.309 1.00 0.00 C ATOM 332 C THR A 23 -8.110 -11.242 1.830 1.00 0.00 C ATOM 333 O THR A 23 -8.082 -12.164 1.014 1.00 0.00 O ATOM 334 CB THR A 23 -9.164 -11.738 4.044 1.00 0.00 C ATOM 335 OG1 THR A 23 -8.962 -11.757 5.445 1.00 0.00 O ATOM 336 CG2 THR A 23 -9.837 -13.037 3.659 1.00 0.00 C ATOM 0 H THR A 23 -7.724 -9.666 4.321 1.00 0.00 H new ATOM 0 HA THR A 23 -7.222 -12.391 3.397 1.00 0.00 H new ATOM 0 HB THR A 23 -9.811 -10.911 3.750 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.803 -10.844 5.765 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.768 -13.144 4.216 1.00 0.00 H new ATOM 0 HG22 THR A 23 -10.053 -13.032 2.591 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.176 -13.872 3.892 1.00 0.00 H new ATOM 344 N HIS A 24 -8.371 -9.984 1.491 1.00 0.00 N ATOM 345 CA HIS A 24 -8.642 -9.606 0.109 1.00 0.00 C ATOM 346 C HIS A 24 -7.361 -9.610 -0.720 1.00 0.00 C ATOM 347 O HIS A 24 -7.301 -10.223 -1.785 1.00 0.00 O ATOM 348 CB HIS A 24 -9.293 -8.223 0.055 1.00 0.00 C ATOM 349 CG HIS A 24 -10.703 -8.204 0.558 1.00 0.00 C ATOM 350 ND1 HIS A 24 -11.427 -9.338 0.855 1.00 0.00 N ATOM 351 CD2 HIS A 24 -11.526 -7.157 0.817 1.00 0.00 C ATOM 352 CE1 HIS A 24 -12.640 -8.952 1.275 1.00 0.00 C ATOM 353 NE2 HIS A 24 -12.751 -7.638 1.271 1.00 0.00 N ATOM 0 H HIS A 24 -8.401 -9.209 2.154 1.00 0.00 H new ATOM 0 HA HIS A 24 -9.328 -10.341 -0.313 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.696 -7.527 0.644 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.278 -7.864 -0.974 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.271 -6.115 0.691 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -13.425 -9.629 1.578 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -13.566 -7.088 1.544 1.00 0.00 H new ATOM 361 N ILE A 25 -6.340 -8.922 -0.221 1.00 0.00 N ATOM 362 CA ILE A 25 -5.060 -8.845 -0.915 1.00 0.00 C ATOM 363 C ILE A 25 -4.329 -10.182 -0.867 1.00 0.00 C ATOM 364 O ILE A 25 -4.242 -10.817 0.185 1.00 0.00 O ATOM 365 CB ILE A 25 -4.156 -7.754 -0.308 1.00 0.00 C ATOM 366 CG1 ILE A 25 -4.915 -6.429 -0.213 1.00 0.00 C ATOM 367 CG2 ILE A 25 -2.892 -7.588 -1.139 1.00 0.00 C ATOM 368 CD1 ILE A 25 -4.145 -5.340 0.503 1.00 0.00 C ATOM 0 H ILE A 25 -6.374 -8.410 0.661 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.276 -8.589 -1.952 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.867 -8.060 0.697 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.161 -6.088 -1.219 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.859 -6.597 0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.265 -6.814 -0.697 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.344 -8.530 -1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.160 -7.301 -2.156 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.744 -4.430 0.533 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.922 -5.661 1.521 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.213 -5.144 -0.028 1.00 0.00 H new ATOM 380 N ARG A 26 -3.805 -10.605 -2.012 1.00 0.00 N ATOM 381 CA ARG A 26 -3.080 -11.868 -2.103 1.00 0.00 C ATOM 382 C ARG A 26 -1.619 -11.630 -2.470 1.00 0.00 C ATOM 383 O ARG A 26 -0.712 -12.154 -1.821 1.00 0.00 O ATOM 384 CB ARG A 26 -3.739 -12.784 -3.138 1.00 0.00 C ATOM 385 CG ARG A 26 -4.129 -14.145 -2.584 1.00 0.00 C ATOM 386 CD ARG A 26 -5.279 -14.757 -3.368 1.00 0.00 C ATOM 387 NE ARG A 26 -5.109 -16.196 -3.558 1.00 0.00 N ATOM 388 CZ ARG A 26 -5.754 -16.904 -4.481 1.00 0.00 C ATOM 389 NH1 ARG A 26 -6.614 -16.311 -5.301 1.00 0.00 N ATOM 390 NH2 ARG A 26 -5.542 -18.208 -4.586 1.00 0.00 N ATOM 0 H ARG A 26 -3.869 -10.092 -2.891 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.115 -12.352 -1.127 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.629 -12.293 -3.532 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.055 -12.924 -3.975 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.268 -14.813 -2.618 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.414 -14.045 -1.537 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.216 -14.569 -2.843 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.355 -14.270 -4.340 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.457 -16.687 -2.946 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.783 -15.308 -5.225 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.106 -16.859 -6.007 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -4.884 -18.670 -3.959 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.037 -18.750 -5.294 1.00 0.00 H new ATOM 404 N ASN A 27 -1.397 -10.838 -3.513 1.00 0.00 N ATOM 405 CA ASN A 27 -0.045 -10.531 -3.966 1.00 0.00 C ATOM 406 C ASN A 27 0.441 -9.211 -3.375 1.00 0.00 C ATOM 407 O ASN A 27 -0.182 -8.167 -3.564 1.00 0.00 O ATOM 408 CB ASN A 27 0.000 -10.464 -5.494 1.00 0.00 C ATOM 409 CG ASN A 27 -0.411 -11.773 -6.142 1.00 0.00 C ATOM 410 OD1 ASN A 27 -1.366 -12.419 -5.710 1.00 0.00 O ATOM 411 ND2 ASN A 27 0.310 -12.169 -7.184 1.00 0.00 N ATOM 0 H ASN A 27 -2.136 -10.397 -4.061 1.00 0.00 H new ATOM 0 HA ASN A 27 0.615 -11.328 -3.623 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.659 -9.668 -5.840 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.009 -10.204 -5.814 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.081 -13.041 -7.661 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.093 -11.601 -7.508 1.00 0.00 H new ATOM 418 N THR A 28 1.558 -9.268 -2.657 1.00 0.00 N ATOM 419 CA THR A 28 2.129 -8.078 -2.036 1.00 0.00 C ATOM 420 C THR A 28 3.225 -7.477 -2.913 1.00 0.00 C ATOM 421 O THR A 28 3.478 -6.273 -2.868 1.00 0.00 O ATOM 422 CB THR A 28 2.695 -8.417 -0.657 1.00 0.00 C ATOM 423 OG1 THR A 28 3.255 -9.719 -0.652 1.00 0.00 O ATOM 424 CG2 THR A 28 1.659 -8.360 0.446 1.00 0.00 C ATOM 0 H THR A 28 2.086 -10.125 -2.491 1.00 0.00 H new ATOM 0 HA THR A 28 1.333 -7.342 -1.924 1.00 0.00 H new ATOM 0 HB THR A 28 3.453 -7.659 -0.461 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.991 -9.756 -0.006 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.127 -8.611 1.398 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.241 -7.355 0.501 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.862 -9.073 0.234 1.00 0.00 H new ATOM 432 N GLN A 29 3.872 -8.324 -3.709 1.00 0.00 N ATOM 433 CA GLN A 29 4.942 -7.877 -4.595 1.00 0.00 C ATOM 434 C GLN A 29 4.458 -6.766 -5.524 1.00 0.00 C ATOM 435 O GLN A 29 5.200 -5.832 -5.830 1.00 0.00 O ATOM 436 CB GLN A 29 5.474 -9.053 -5.418 1.00 0.00 C ATOM 437 CG GLN A 29 6.814 -9.579 -4.929 1.00 0.00 C ATOM 438 CD GLN A 29 7.966 -8.664 -5.294 1.00 0.00 C ATOM 439 OE1 GLN A 29 8.574 -8.037 -4.426 1.00 0.00 O ATOM 440 NE2 GLN A 29 8.272 -8.583 -6.583 1.00 0.00 N ATOM 0 H GLN A 29 3.674 -9.323 -3.758 1.00 0.00 H new ATOM 0 HA GLN A 29 5.747 -7.479 -3.977 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.744 -9.862 -5.394 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.572 -8.743 -6.458 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.780 -9.700 -3.846 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.990 -10.567 -5.355 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.741 -9.121 -7.268 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.038 -7.983 -6.889 1.00 0.00 H new ATOM 449 N CYS A 30 3.210 -6.874 -5.968 1.00 0.00 N ATOM 450 CA CYS A 30 2.630 -5.879 -6.862 1.00 0.00 C ATOM 451 C CYS A 30 2.629 -4.498 -6.212 1.00 0.00 C ATOM 452 O CYS A 30 3.108 -3.526 -6.796 1.00 0.00 O ATOM 453 CB CYS A 30 1.202 -6.276 -7.245 1.00 0.00 C ATOM 454 SG CYS A 30 1.093 -7.275 -8.748 1.00 0.00 S ATOM 0 H CYS A 30 2.582 -7.640 -5.724 1.00 0.00 H new ATOM 0 HA CYS A 30 3.242 -5.837 -7.763 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.757 -6.831 -6.419 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.608 -5.372 -7.378 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.152 -7.563 -8.989 1.00 0.00 H new ATOM 460 N LEU A 31 2.088 -4.421 -5.002 1.00 0.00 N ATOM 461 CA LEU A 31 2.025 -3.161 -4.270 1.00 0.00 C ATOM 462 C LEU A 31 3.425 -2.663 -3.923 1.00 0.00 C ATOM 463 O LEU A 31 3.665 -1.458 -3.847 1.00 0.00 O ATOM 464 CB LEU A 31 1.200 -3.329 -2.993 1.00 0.00 C ATOM 465 CG LEU A 31 -0.298 -3.556 -3.214 1.00 0.00 C ATOM 466 CD1 LEU A 31 -0.825 -4.615 -2.257 1.00 0.00 C ATOM 467 CD2 LEU A 31 -1.065 -2.253 -3.044 1.00 0.00 C ATOM 0 H LEU A 31 1.686 -5.217 -4.506 1.00 0.00 H new ATOM 0 HA LEU A 31 1.544 -2.422 -4.910 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.600 -4.171 -2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.330 -2.440 -2.375 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.445 -3.912 -4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.891 -4.763 -2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.297 -5.553 -2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.665 -4.289 -1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.128 -2.433 -3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.910 -1.869 -2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.707 -1.523 -3.770 1.00 0.00 H new ATOM 479 N VAL A 32 4.343 -3.600 -3.710 1.00 0.00 N ATOM 480 CA VAL A 32 5.718 -3.258 -3.368 1.00 0.00 C ATOM 481 C VAL A 32 6.486 -2.776 -4.593 1.00 0.00 C ATOM 482 O VAL A 32 7.284 -1.843 -4.511 1.00 0.00 O ATOM 483 CB VAL A 32 6.460 -4.461 -2.752 1.00 0.00 C ATOM 484 CG1 VAL A 32 7.838 -4.045 -2.259 1.00 0.00 C ATOM 485 CG2 VAL A 32 5.644 -5.073 -1.622 1.00 0.00 C ATOM 0 H VAL A 32 4.159 -4.602 -3.768 1.00 0.00 H new ATOM 0 HA VAL A 32 5.670 -2.454 -2.633 1.00 0.00 H new ATOM 0 HB VAL A 32 6.590 -5.217 -3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.346 -4.908 -1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.423 -3.660 -3.095 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.734 -3.269 -1.501 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.185 -5.920 -1.200 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.479 -4.325 -0.846 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.683 -5.412 -2.009 1.00 0.00 H new ATOM 495 N ASP A 33 6.240 -3.419 -5.731 1.00 0.00 N ATOM 496 CA ASP A 33 6.910 -3.054 -6.974 1.00 0.00 C ATOM 497 C ASP A 33 6.546 -1.633 -7.392 1.00 0.00 C ATOM 498 O ASP A 33 7.419 -0.826 -7.712 1.00 0.00 O ATOM 499 CB ASP A 33 6.538 -4.037 -8.086 1.00 0.00 C ATOM 500 CG ASP A 33 7.704 -4.331 -9.010 1.00 0.00 C ATOM 501 OD1 ASP A 33 8.228 -3.380 -9.626 1.00 0.00 O ATOM 502 OD2 ASP A 33 8.093 -5.514 -9.117 1.00 0.00 O ATOM 0 H ASP A 33 5.583 -4.194 -5.818 1.00 0.00 H new ATOM 0 HA ASP A 33 7.986 -3.099 -6.804 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.186 -4.968 -7.642 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.711 -3.629 -8.667 1.00 0.00 H new ATOM 507 N ASN A 34 5.251 -1.333 -7.385 1.00 0.00 N ATOM 508 CA ASN A 34 4.772 -0.008 -7.763 1.00 0.00 C ATOM 509 C ASN A 34 5.246 1.046 -6.767 1.00 0.00 C ATOM 510 O ASN A 34 5.712 2.117 -7.157 1.00 0.00 O ATOM 511 CB ASN A 34 3.245 0.001 -7.843 1.00 0.00 C ATOM 512 CG ASN A 34 2.711 -1.031 -8.817 1.00 0.00 C ATOM 513 OD1 ASN A 34 3.228 -1.183 -9.923 1.00 0.00 O ATOM 514 ND2 ASN A 34 1.670 -1.747 -8.409 1.00 0.00 N ATOM 0 H ASN A 34 4.515 -1.989 -7.122 1.00 0.00 H new ATOM 0 HA ASN A 34 5.182 0.233 -8.744 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.831 -0.189 -6.853 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.906 0.992 -8.145 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.268 -2.457 -9.021 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.273 -1.588 -7.483 1.00 0.00 H new ATOM 521 N LEU A 35 5.125 0.735 -5.480 1.00 0.00 N ATOM 522 CA LEU A 35 5.541 1.655 -4.429 1.00 0.00 C ATOM 523 C LEU A 35 7.027 1.976 -4.547 1.00 0.00 C ATOM 524 O LEU A 35 7.444 3.118 -4.352 1.00 0.00 O ATOM 525 CB LEU A 35 5.244 1.058 -3.052 1.00 0.00 C ATOM 526 CG LEU A 35 3.765 1.028 -2.665 1.00 0.00 C ATOM 527 CD1 LEU A 35 3.528 0.033 -1.540 1.00 0.00 C ATOM 528 CD2 LEU A 35 3.292 2.416 -2.262 1.00 0.00 C ATOM 0 H LEU A 35 4.742 -0.147 -5.141 1.00 0.00 H new ATOM 0 HA LEU A 35 4.976 2.580 -4.545 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.632 0.040 -3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.789 1.629 -2.300 1.00 0.00 H new ATOM 0 HG LEU A 35 3.188 0.707 -3.532 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.470 0.025 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.828 -0.963 -1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.116 0.322 -0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.237 2.376 -1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.874 2.765 -1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.425 3.103 -3.098 1.00 0.00 H new ATOM 540 N LEU A 36 7.824 0.961 -4.866 1.00 0.00 N ATOM 541 CA LEU A 36 9.264 1.134 -5.011 1.00 0.00 C ATOM 542 C LEU A 36 9.590 1.977 -6.240 1.00 0.00 C ATOM 543 O LEU A 36 10.461 2.846 -6.195 1.00 0.00 O ATOM 544 CB LEU A 36 9.955 -0.227 -5.112 1.00 0.00 C ATOM 545 CG LEU A 36 10.038 -1.010 -3.800 1.00 0.00 C ATOM 546 CD1 LEU A 36 10.375 -2.469 -4.070 1.00 0.00 C ATOM 547 CD2 LEU A 36 11.069 -0.386 -2.873 1.00 0.00 C ATOM 0 H LEU A 36 7.496 0.009 -5.029 1.00 0.00 H new ATOM 0 HA LEU A 36 9.633 1.655 -4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.424 -0.833 -5.846 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.965 -0.077 -5.493 1.00 0.00 H new ATOM 0 HG LEU A 36 9.065 -0.968 -3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.430 -3.011 -3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.601 -2.911 -4.697 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.336 -2.532 -4.581 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.115 -0.955 -1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.046 -0.398 -3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.785 0.643 -2.654 1.00 0.00 H new ATOM 559 N LYS A 37 8.884 1.715 -7.334 1.00 0.00 N ATOM 560 CA LYS A 37 9.097 2.450 -8.576 1.00 0.00 C ATOM 561 C LYS A 37 8.828 3.938 -8.375 1.00 0.00 C ATOM 562 O LYS A 37 9.480 4.785 -8.987 1.00 0.00 O ATOM 563 CB LYS A 37 8.194 1.900 -9.681 1.00 0.00 C ATOM 564 CG LYS A 37 8.618 2.319 -11.078 1.00 0.00 C ATOM 565 CD LYS A 37 7.726 1.696 -12.141 1.00 0.00 C ATOM 566 CE LYS A 37 8.082 0.237 -12.384 1.00 0.00 C ATOM 567 NZ LYS A 37 6.870 -0.623 -12.473 1.00 0.00 N ATOM 0 H LYS A 37 8.159 0.999 -7.387 1.00 0.00 H new ATOM 0 HA LYS A 37 10.138 2.322 -8.873 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.186 0.812 -9.624 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.172 2.236 -9.504 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.580 3.405 -11.161 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.653 2.022 -11.250 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.683 1.770 -11.832 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.823 2.255 -13.072 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.656 0.152 -13.307 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.722 -0.120 -11.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.156 -1.609 -12.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.335 -0.562 -11.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.271 -0.299 -13.259 1.00 0.00 H new ATOM 581 N ASN A 38 7.864 4.248 -7.515 1.00 0.00 N ATOM 582 CA ASN A 38 7.507 5.634 -7.230 1.00 0.00 C ATOM 583 C ASN A 38 8.440 6.247 -6.184 1.00 0.00 C ATOM 584 O ASN A 38 8.285 7.410 -5.813 1.00 0.00 O ATOM 585 CB ASN A 38 6.058 5.716 -6.746 1.00 0.00 C ATOM 586 CG ASN A 38 5.064 5.680 -7.890 1.00 0.00 C ATOM 587 OD1 ASN A 38 4.388 6.669 -8.172 1.00 0.00 O ATOM 588 ND2 ASN A 38 4.971 4.535 -8.556 1.00 0.00 N ATOM 0 H ASN A 38 7.315 3.558 -7.002 1.00 0.00 H new ATOM 0 HA ASN A 38 7.613 6.203 -8.154 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.857 4.887 -6.067 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.919 6.635 -6.177 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.319 4.450 -9.336 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.551 3.740 -8.287 1.00 0.00 H new ATOM 595 N ASP A 39 9.405 5.459 -5.710 1.00 0.00 N ATOM 596 CA ASP A 39 10.353 5.931 -4.707 1.00 0.00 C ATOM 597 C ASP A 39 9.639 6.290 -3.408 1.00 0.00 C ATOM 598 O ASP A 39 9.994 7.261 -2.739 1.00 0.00 O ATOM 599 CB ASP A 39 11.128 7.143 -5.230 1.00 0.00 C ATOM 600 CG ASP A 39 12.264 6.746 -6.154 1.00 0.00 C ATOM 601 OD1 ASP A 39 13.350 6.399 -5.644 1.00 0.00 O ATOM 602 OD2 ASP A 39 12.067 6.784 -7.387 1.00 0.00 O ATOM 0 H ASP A 39 9.549 4.493 -6.005 1.00 0.00 H new ATOM 0 HA ASP A 39 11.056 5.123 -4.503 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.445 7.806 -5.761 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.528 7.707 -4.387 1.00 0.00 H new ATOM 607 N TYR A 40 8.630 5.499 -3.057 1.00 0.00 N ATOM 608 CA TYR A 40 7.866 5.731 -1.837 1.00 0.00 C ATOM 609 C TYR A 40 8.390 4.865 -0.697 1.00 0.00 C ATOM 610 O TYR A 40 8.662 5.360 0.397 1.00 0.00 O ATOM 611 CB TYR A 40 6.383 5.438 -2.077 1.00 0.00 C ATOM 612 CG TYR A 40 5.574 6.664 -2.438 1.00 0.00 C ATOM 613 CD1 TYR A 40 5.392 7.693 -1.523 1.00 0.00 C ATOM 614 CD2 TYR A 40 4.993 6.791 -3.693 1.00 0.00 C ATOM 615 CE1 TYR A 40 4.652 8.814 -1.850 1.00 0.00 C ATOM 616 CE2 TYR A 40 4.252 7.909 -4.027 1.00 0.00 C ATOM 617 CZ TYR A 40 4.085 8.917 -3.102 1.00 0.00 C ATOM 618 OH TYR A 40 3.347 10.032 -3.431 1.00 0.00 O ATOM 0 H TYR A 40 8.323 4.692 -3.600 1.00 0.00 H new ATOM 0 HA TYR A 40 7.981 6.778 -1.557 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.291 4.704 -2.877 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.961 4.986 -1.180 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.835 7.616 -0.541 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.122 6.003 -4.420 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.519 9.606 -1.128 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.806 7.992 -5.007 1.00 0.00 H new ATOM 0 HH TYR A 40 3.593 10.774 -2.840 1.00 0.00 H new ATOM 628 N PHE A 41 8.530 3.570 -0.961 1.00 0.00 N ATOM 629 CA PHE A 41 9.023 2.634 0.043 1.00 0.00 C ATOM 630 C PHE A 41 10.548 2.570 0.024 1.00 0.00 C ATOM 631 O PHE A 41 11.151 2.218 -0.990 1.00 0.00 O ATOM 632 CB PHE A 41 8.436 1.242 -0.197 1.00 0.00 C ATOM 633 CG PHE A 41 7.235 0.943 0.655 1.00 0.00 C ATOM 634 CD1 PHE A 41 6.163 1.820 0.696 1.00 0.00 C ATOM 635 CD2 PHE A 41 7.179 -0.214 1.415 1.00 0.00 C ATOM 636 CE1 PHE A 41 5.057 1.548 1.478 1.00 0.00 C ATOM 637 CE2 PHE A 41 6.076 -0.491 2.200 1.00 0.00 C ATOM 638 CZ PHE A 41 5.013 0.391 2.231 1.00 0.00 C ATOM 0 H PHE A 41 8.309 3.145 -1.861 1.00 0.00 H new ATOM 0 HA PHE A 41 8.706 2.989 1.024 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.159 1.149 -1.247 1.00 0.00 H new ATOM 0 HB3 PHE A 41 9.205 0.494 -0.003 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.192 2.727 0.110 1.00 0.00 H new ATOM 0 HD2 PHE A 41 8.007 -0.907 1.394 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.228 2.239 1.500 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.045 -1.396 2.789 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.149 0.176 2.843 1.00 0.00 H new ATOM 648 N SER A 42 11.162 2.912 1.151 1.00 0.00 N ATOM 649 CA SER A 42 12.615 2.893 1.265 1.00 0.00 C ATOM 650 C SER A 42 13.148 1.465 1.202 1.00 0.00 C ATOM 651 O SER A 42 12.379 0.509 1.105 1.00 0.00 O ATOM 652 CB SER A 42 13.055 3.556 2.571 1.00 0.00 C ATOM 653 OG SER A 42 12.802 4.951 2.545 1.00 0.00 O ATOM 0 H SER A 42 10.676 3.206 1.998 1.00 0.00 H new ATOM 0 HA SER A 42 13.026 3.453 0.425 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.526 3.103 3.409 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.118 3.379 2.732 1.00 0.00 H new ATOM 0 HG SER A 42 13.090 5.352 3.392 1.00 0.00 H new ATOM 659 N ALA A 43 14.469 1.329 1.258 1.00 0.00 N ATOM 660 CA ALA A 43 15.105 0.018 1.208 1.00 0.00 C ATOM 661 C ALA A 43 14.864 -0.758 2.499 1.00 0.00 C ATOM 662 O ALA A 43 14.679 -1.975 2.478 1.00 0.00 O ATOM 663 CB ALA A 43 16.596 0.166 0.949 1.00 0.00 C ATOM 0 H ALA A 43 15.119 2.111 1.338 1.00 0.00 H new ATOM 0 HA ALA A 43 14.659 -0.545 0.388 1.00 0.00 H new ATOM 0 HB1 ALA A 43 17.059 -0.820 0.914 1.00 0.00 H new ATOM 0 HB2 ALA A 43 16.751 0.674 -0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 43 17.048 0.751 1.750 1.00 0.00 H new ATOM 669 N GLU A 44 14.869 -0.045 3.621 1.00 0.00 N ATOM 670 CA GLU A 44 14.651 -0.667 4.922 1.00 0.00 C ATOM 671 C GLU A 44 13.230 -1.209 5.035 1.00 0.00 C ATOM 672 O GLU A 44 13.017 -2.331 5.493 1.00 0.00 O ATOM 673 CB GLU A 44 14.916 0.339 6.042 1.00 0.00 C ATOM 674 CG GLU A 44 15.529 -0.283 7.287 1.00 0.00 C ATOM 675 CD GLU A 44 14.516 -0.483 8.397 1.00 0.00 C ATOM 676 OE1 GLU A 44 13.910 0.517 8.836 1.00 0.00 O ATOM 677 OE2 GLU A 44 14.328 -1.641 8.827 1.00 0.00 O ATOM 0 H GLU A 44 15.021 0.963 3.655 1.00 0.00 H new ATOM 0 HA GLU A 44 15.347 -1.500 5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 44 15.582 1.118 5.670 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.978 0.824 6.313 1.00 0.00 H new ATOM 0 HG2 GLU A 44 15.973 -1.244 7.028 1.00 0.00 H new ATOM 0 HG3 GLU A 44 16.336 0.354 7.647 1.00 0.00 H new ATOM 684 N ASP A 45 12.259 -0.403 4.612 1.00 0.00 N ATOM 685 CA ASP A 45 10.856 -0.800 4.666 1.00 0.00 C ATOM 686 C ASP A 45 10.624 -2.099 3.899 1.00 0.00 C ATOM 687 O ASP A 45 9.989 -3.024 4.405 1.00 0.00 O ATOM 688 CB ASP A 45 9.970 0.308 4.093 1.00 0.00 C ATOM 689 CG ASP A 45 9.667 1.389 5.112 1.00 0.00 C ATOM 690 OD1 ASP A 45 10.539 1.666 5.962 1.00 0.00 O ATOM 691 OD2 ASP A 45 8.557 1.960 5.060 1.00 0.00 O ATOM 0 H ASP A 45 12.419 0.528 4.228 1.00 0.00 H new ATOM 0 HA ASP A 45 10.593 -0.966 5.711 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.463 0.754 3.229 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.035 -0.125 3.738 1.00 0.00 H new ATOM 696 N ALA A 46 11.144 -2.161 2.678 1.00 0.00 N ATOM 697 CA ALA A 46 10.993 -3.347 1.844 1.00 0.00 C ATOM 698 C ALA A 46 11.593 -4.576 2.517 1.00 0.00 C ATOM 699 O ALA A 46 11.152 -5.701 2.285 1.00 0.00 O ATOM 700 CB ALA A 46 11.637 -3.119 0.484 1.00 0.00 C ATOM 0 H ALA A 46 11.673 -1.404 2.244 1.00 0.00 H new ATOM 0 HA ALA A 46 9.927 -3.529 1.705 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.517 -4.012 -0.129 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.157 -2.273 -0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.698 -2.908 0.615 1.00 0.00 H new ATOM 706 N GLU A 47 12.603 -4.353 3.354 1.00 0.00 N ATOM 707 CA GLU A 47 13.265 -5.444 4.060 1.00 0.00 C ATOM 708 C GLU A 47 12.368 -6.008 5.159 1.00 0.00 C ATOM 709 O GLU A 47 12.313 -7.219 5.368 1.00 0.00 O ATOM 710 CB GLU A 47 14.589 -4.962 4.658 1.00 0.00 C ATOM 711 CG GLU A 47 15.809 -5.646 4.064 1.00 0.00 C ATOM 712 CD GLU A 47 16.922 -5.836 5.075 1.00 0.00 C ATOM 713 OE1 GLU A 47 17.369 -4.828 5.663 1.00 0.00 O ATOM 714 OE2 GLU A 47 17.347 -6.992 5.281 1.00 0.00 O ATOM 0 H GLU A 47 12.980 -3.428 3.559 1.00 0.00 H new ATOM 0 HA GLU A 47 13.467 -6.239 3.342 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.676 -3.886 4.507 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.575 -5.132 5.735 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.517 -6.617 3.664 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.181 -5.055 3.227 1.00 0.00 H new ATOM 721 N ILE A 48 11.666 -5.121 5.857 1.00 0.00 N ATOM 722 CA ILE A 48 10.772 -5.531 6.934 1.00 0.00 C ATOM 723 C ILE A 48 9.587 -6.325 6.391 1.00 0.00 C ATOM 724 O ILE A 48 9.178 -7.327 6.978 1.00 0.00 O ATOM 725 CB ILE A 48 10.244 -4.317 7.723 1.00 0.00 C ATOM 726 CG1 ILE A 48 11.404 -3.422 8.163 1.00 0.00 C ATOM 727 CG2 ILE A 48 9.438 -4.777 8.929 1.00 0.00 C ATOM 728 CD1 ILE A 48 10.964 -2.200 8.940 1.00 0.00 C ATOM 0 H ILE A 48 11.699 -4.114 5.696 1.00 0.00 H new ATOM 0 HA ILE A 48 11.355 -6.163 7.604 1.00 0.00 H new ATOM 0 HB ILE A 48 9.589 -3.738 7.072 1.00 0.00 H new ATOM 0 HG12 ILE A 48 12.090 -4.006 8.777 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.960 -3.102 7.282 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.072 -3.908 9.475 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.592 -5.377 8.594 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.072 -5.376 9.583 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.838 -1.612 9.219 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.302 -1.594 8.321 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.434 -2.512 9.840 1.00 0.00 H new ATOM 740 N VAL A 49 9.042 -5.871 5.267 1.00 0.00 N ATOM 741 CA VAL A 49 7.905 -6.540 4.647 1.00 0.00 C ATOM 742 C VAL A 49 8.257 -7.970 4.251 1.00 0.00 C ATOM 743 O VAL A 49 7.633 -8.924 4.715 1.00 0.00 O ATOM 744 CB VAL A 49 7.418 -5.778 3.399 1.00 0.00 C ATOM 745 CG1 VAL A 49 6.119 -6.376 2.881 1.00 0.00 C ATOM 746 CG2 VAL A 49 7.248 -4.299 3.712 1.00 0.00 C ATOM 0 H VAL A 49 9.369 -5.044 4.768 1.00 0.00 H new ATOM 0 HA VAL A 49 7.106 -6.558 5.388 1.00 0.00 H new ATOM 0 HB VAL A 49 8.171 -5.876 2.617 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.791 -5.825 2.000 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.280 -7.421 2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.354 -6.311 3.655 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.904 -3.776 2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.515 -4.178 4.510 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.203 -3.882 4.031 1.00 0.00 H new ATOM 756 N CYS A 50 9.261 -8.110 3.392 1.00 0.00 N ATOM 757 CA CYS A 50 9.697 -9.424 2.934 1.00 0.00 C ATOM 758 C CYS A 50 10.148 -10.290 4.108 1.00 0.00 C ATOM 759 O CYS A 50 10.062 -11.517 4.055 1.00 0.00 O ATOM 760 CB CYS A 50 10.836 -9.283 1.922 1.00 0.00 C ATOM 761 SG CYS A 50 11.133 -10.767 0.934 1.00 0.00 S ATOM 0 H CYS A 50 9.788 -7.330 2.999 1.00 0.00 H new ATOM 0 HA CYS A 50 8.850 -9.911 2.452 1.00 0.00 H new ATOM 0 HB2 CYS A 50 10.612 -8.453 1.252 1.00 0.00 H new ATOM 0 HB3 CYS A 50 11.751 -9.025 2.455 1.00 0.00 H new ATOM 0 HG CYS A 50 12.112 -10.549 0.107 1.00 0.00 H new ATOM 767 N ALA A 51 10.629 -9.643 5.165 1.00 0.00 N ATOM 768 CA ALA A 51 11.095 -10.355 6.350 1.00 0.00 C ATOM 769 C ALA A 51 9.996 -11.239 6.934 1.00 0.00 C ATOM 770 O ALA A 51 10.276 -12.201 7.649 1.00 0.00 O ATOM 771 CB ALA A 51 11.592 -9.369 7.396 1.00 0.00 C ATOM 0 H ALA A 51 10.706 -8.628 5.225 1.00 0.00 H new ATOM 0 HA ALA A 51 11.921 -11.001 6.051 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.937 -9.914 8.275 1.00 0.00 H new ATOM 0 HB2 ALA A 51 12.416 -8.786 6.984 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.780 -8.699 7.680 1.00 0.00 H new ATOM 777 N CYS A 52 8.744 -10.907 6.626 1.00 0.00 N ATOM 778 CA CYS A 52 7.605 -11.674 7.123 1.00 0.00 C ATOM 779 C CYS A 52 7.736 -13.151 6.756 1.00 0.00 C ATOM 780 O CYS A 52 8.423 -13.502 5.797 1.00 0.00 O ATOM 781 CB CYS A 52 6.300 -11.110 6.556 1.00 0.00 C ATOM 782 SG CYS A 52 5.633 -9.714 7.490 1.00 0.00 S ATOM 0 H CYS A 52 8.493 -10.114 6.036 1.00 0.00 H new ATOM 0 HA CYS A 52 7.590 -11.590 8.210 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.469 -10.797 5.526 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.555 -11.905 6.529 1.00 0.00 H new ATOM 0 HG CYS A 52 6.029 -8.601 6.949 1.00 0.00 H new ATOM 788 N PRO A 53 7.077 -14.038 7.521 1.00 0.00 N ATOM 789 CA PRO A 53 7.124 -15.480 7.276 1.00 0.00 C ATOM 790 C PRO A 53 6.228 -15.904 6.115 1.00 0.00 C ATOM 791 O PRO A 53 6.599 -16.760 5.313 1.00 0.00 O ATOM 792 CB PRO A 53 6.614 -16.070 8.588 1.00 0.00 C ATOM 793 CG PRO A 53 5.684 -15.037 9.124 1.00 0.00 C ATOM 794 CD PRO A 53 6.236 -13.704 8.687 1.00 0.00 C ATOM 0 HA PRO A 53 8.123 -15.816 6.997 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.102 -17.018 8.424 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.433 -16.265 9.281 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.675 -15.185 8.739 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.623 -15.095 10.211 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.440 -13.009 8.420 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.818 -13.233 9.479 1.00 0.00 H new ATOM 802 N THR A 54 5.047 -15.299 6.035 1.00 0.00 N ATOM 803 CA THR A 54 4.098 -15.616 4.974 1.00 0.00 C ATOM 804 C THR A 54 3.626 -14.350 4.266 1.00 0.00 C ATOM 805 O THR A 54 4.075 -13.247 4.579 1.00 0.00 O ATOM 806 CB THR A 54 2.898 -16.372 5.544 1.00 0.00 C ATOM 807 OG1 THR A 54 2.290 -15.633 6.588 1.00 0.00 O ATOM 808 CG2 THR A 54 3.258 -17.735 6.095 1.00 0.00 C ATOM 0 H THR A 54 4.725 -14.588 6.691 1.00 0.00 H new ATOM 0 HA THR A 54 4.606 -16.249 4.246 1.00 0.00 H new ATOM 0 HB THR A 54 2.215 -16.505 4.705 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.523 -16.132 6.939 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.362 -18.219 6.484 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.685 -18.347 5.301 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.987 -17.622 6.898 1.00 0.00 H new ATOM 816 N GLN A 55 2.715 -14.516 3.312 1.00 0.00 N ATOM 817 CA GLN A 55 2.180 -13.386 2.559 1.00 0.00 C ATOM 818 C GLN A 55 1.217 -12.565 3.415 1.00 0.00 C ATOM 819 O GLN A 55 1.373 -11.351 3.544 1.00 0.00 O ATOM 820 CB GLN A 55 1.471 -13.879 1.295 1.00 0.00 C ATOM 821 CG GLN A 55 1.906 -13.154 0.032 1.00 0.00 C ATOM 822 CD GLN A 55 3.053 -13.852 -0.675 1.00 0.00 C ATOM 823 OE1 GLN A 55 2.938 -14.235 -1.838 1.00 0.00 O ATOM 824 NE2 GLN A 55 4.166 -14.019 0.029 1.00 0.00 N ATOM 0 H GLN A 55 2.332 -15.422 3.042 1.00 0.00 H new ATOM 0 HA GLN A 55 3.014 -12.745 2.272 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.660 -14.946 1.175 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.395 -13.758 1.421 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.058 -13.076 -0.648 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.205 -12.137 0.286 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.216 -13.685 0.991 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.971 -14.482 -0.392 1.00 0.00 H new ATOM 833 N PRO A 56 0.205 -13.219 4.012 1.00 0.00 N ATOM 834 CA PRO A 56 -0.782 -12.539 4.858 1.00 0.00 C ATOM 835 C PRO A 56 -0.131 -11.646 5.909 1.00 0.00 C ATOM 836 O PRO A 56 -0.723 -10.666 6.358 1.00 0.00 O ATOM 837 CB PRO A 56 -1.529 -13.695 5.526 1.00 0.00 C ATOM 838 CG PRO A 56 -1.398 -14.830 4.572 1.00 0.00 C ATOM 839 CD PRO A 56 -0.055 -14.668 3.913 1.00 0.00 C ATOM 0 HA PRO A 56 -1.424 -11.873 4.281 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.094 -13.940 6.495 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.575 -13.443 5.700 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.464 -15.786 5.092 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.199 -14.813 3.833 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.714 -15.249 4.421 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.074 -15.002 2.876 1.00 0.00 H new ATOM 847 N ASP A 57 1.092 -11.993 6.296 1.00 0.00 N ATOM 848 CA ASP A 57 1.825 -11.223 7.294 1.00 0.00 C ATOM 849 C ASP A 57 2.435 -9.970 6.672 1.00 0.00 C ATOM 850 O ASP A 57 2.533 -8.927 7.321 1.00 0.00 O ATOM 851 CB ASP A 57 2.924 -12.080 7.924 1.00 0.00 C ATOM 852 CG ASP A 57 2.426 -12.873 9.118 1.00 0.00 C ATOM 853 OD1 ASP A 57 1.679 -13.852 8.910 1.00 0.00 O ATOM 854 OD2 ASP A 57 2.782 -12.514 10.259 1.00 0.00 O ATOM 0 H ASP A 57 1.596 -12.802 5.934 1.00 0.00 H new ATOM 0 HA ASP A 57 1.123 -10.918 8.070 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.320 -12.766 7.175 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.748 -11.438 8.236 1.00 0.00 H new ATOM 859 N LYS A 58 2.845 -10.079 5.413 1.00 0.00 N ATOM 860 CA LYS A 58 3.445 -8.954 4.704 1.00 0.00 C ATOM 861 C LYS A 58 2.419 -7.850 4.467 1.00 0.00 C ATOM 862 O LYS A 58 2.750 -6.664 4.497 1.00 0.00 O ATOM 863 CB LYS A 58 4.028 -9.417 3.368 1.00 0.00 C ATOM 864 CG LYS A 58 5.057 -10.527 3.507 1.00 0.00 C ATOM 865 CD LYS A 58 5.107 -11.402 2.263 1.00 0.00 C ATOM 866 CE LYS A 58 6.405 -11.210 1.497 1.00 0.00 C ATOM 867 NZ LYS A 58 7.456 -12.171 1.936 1.00 0.00 N ATOM 0 H LYS A 58 2.773 -10.935 4.862 1.00 0.00 H new ATOM 0 HA LYS A 58 4.247 -8.554 5.324 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.217 -9.763 2.727 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.489 -8.566 2.867 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.040 -10.092 3.687 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.816 -11.141 4.375 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.004 -12.449 2.549 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.263 -11.164 1.616 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.219 -11.337 0.430 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.763 -10.190 1.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.326 -12.008 1.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.652 -12.033 2.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.125 -13.144 1.777 1.00 0.00 H new ATOM 881 N VAL A 59 1.173 -8.247 4.233 1.00 0.00 N ATOM 882 CA VAL A 59 0.099 -7.292 3.991 1.00 0.00 C ATOM 883 C VAL A 59 -0.073 -6.346 5.175 1.00 0.00 C ATOM 884 O VAL A 59 -0.114 -5.127 5.009 1.00 0.00 O ATOM 885 CB VAL A 59 -1.238 -8.006 3.721 1.00 0.00 C ATOM 886 CG1 VAL A 59 -2.297 -7.009 3.277 1.00 0.00 C ATOM 887 CG2 VAL A 59 -1.058 -9.103 2.683 1.00 0.00 C ATOM 0 H VAL A 59 0.882 -9.224 4.206 1.00 0.00 H new ATOM 0 HA VAL A 59 0.380 -6.718 3.108 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.575 -8.468 4.649 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.235 -7.533 3.091 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.446 -6.264 4.059 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.970 -6.514 2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.014 -9.596 2.505 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.696 -8.667 1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.335 -9.833 3.047 1.00 0.00 H new ATOM 897 N ARG A 60 -0.173 -6.918 6.371 1.00 0.00 N ATOM 898 CA ARG A 60 -0.342 -6.126 7.584 1.00 0.00 C ATOM 899 C ARG A 60 0.896 -5.277 7.857 1.00 0.00 C ATOM 900 O ARG A 60 0.799 -4.176 8.402 1.00 0.00 O ATOM 901 CB ARG A 60 -0.624 -7.039 8.780 1.00 0.00 C ATOM 902 CG ARG A 60 -1.720 -6.519 9.696 1.00 0.00 C ATOM 903 CD ARG A 60 -1.419 -6.825 11.155 1.00 0.00 C ATOM 904 NE ARG A 60 -2.626 -6.812 11.977 1.00 0.00 N ATOM 905 CZ ARG A 60 -2.619 -6.694 13.303 1.00 0.00 C ATOM 906 NH1 ARG A 60 -1.472 -6.577 13.960 1.00 0.00 N ATOM 907 NH2 ARG A 60 -3.763 -6.690 13.975 1.00 0.00 N ATOM 0 H ARG A 60 -0.140 -7.926 6.526 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.192 -5.459 7.437 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.905 -8.027 8.414 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.293 -7.162 9.357 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.826 -5.442 9.563 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.673 -6.970 9.418 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.940 -7.801 11.229 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.710 -6.092 11.540 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.527 -6.898 11.508 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.589 -6.577 13.449 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.473 -6.487 14.976 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.648 -6.777 13.476 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.757 -6.600 14.991 1.00 0.00 H new ATOM 921 N LYS A 61 2.060 -5.795 7.476 1.00 0.00 N ATOM 922 CA LYS A 61 3.317 -5.085 7.680 1.00 0.00 C ATOM 923 C LYS A 61 3.362 -3.807 6.849 1.00 0.00 C ATOM 924 O LYS A 61 3.751 -2.748 7.341 1.00 0.00 O ATOM 925 CB LYS A 61 4.500 -5.985 7.320 1.00 0.00 C ATOM 926 CG LYS A 61 5.854 -5.352 7.597 1.00 0.00 C ATOM 927 CD LYS A 61 6.044 -5.072 9.079 1.00 0.00 C ATOM 928 CE LYS A 61 6.137 -6.359 9.883 1.00 0.00 C ATOM 929 NZ LYS A 61 4.808 -6.792 10.396 1.00 0.00 N ATOM 0 H LYS A 61 2.158 -6.704 7.024 1.00 0.00 H new ATOM 0 HA LYS A 61 3.385 -4.813 8.733 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.422 -6.916 7.882 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.439 -6.245 6.263 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.645 -6.014 7.246 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.944 -4.422 7.035 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.950 -4.484 9.226 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.212 -4.472 9.446 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.559 -7.147 9.259 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.820 -6.215 10.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.903 -7.108 11.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.142 -5.995 10.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.450 -7.576 9.814 1.00 0.00 H new ATOM 943 N ILE A 62 2.962 -3.913 5.586 1.00 0.00 N ATOM 944 CA ILE A 62 2.955 -2.765 4.687 1.00 0.00 C ATOM 945 C ILE A 62 1.987 -1.693 5.175 1.00 0.00 C ATOM 946 O ILE A 62 2.306 -0.504 5.168 1.00 0.00 O ATOM 947 CB ILE A 62 2.573 -3.175 3.251 1.00 0.00 C ATOM 948 CG1 ILE A 62 3.458 -4.328 2.772 1.00 0.00 C ATOM 949 CG2 ILE A 62 2.690 -1.986 2.308 1.00 0.00 C ATOM 950 CD1 ILE A 62 2.747 -5.290 1.846 1.00 0.00 C ATOM 0 H ILE A 62 2.638 -4.782 5.162 1.00 0.00 H new ATOM 0 HA ILE A 62 3.967 -2.361 4.681 1.00 0.00 H new ATOM 0 HB ILE A 62 1.536 -3.512 3.252 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.328 -3.919 2.259 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.827 -4.876 3.639 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.417 -2.294 1.299 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.021 -1.192 2.639 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.717 -1.620 2.310 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.434 -6.081 1.546 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.893 -5.728 2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.401 -4.755 0.961 1.00 0.00 H new ATOM 962 N LEU A 63 0.803 -2.123 5.599 1.00 0.00 N ATOM 963 CA LEU A 63 -0.213 -1.201 6.093 1.00 0.00 C ATOM 964 C LEU A 63 0.297 -0.426 7.304 1.00 0.00 C ATOM 965 O LEU A 63 0.008 0.760 7.462 1.00 0.00 O ATOM 966 CB LEU A 63 -1.487 -1.963 6.460 1.00 0.00 C ATOM 967 CG LEU A 63 -2.169 -2.683 5.295 1.00 0.00 C ATOM 968 CD1 LEU A 63 -2.883 -3.932 5.785 1.00 0.00 C ATOM 969 CD2 LEU A 63 -3.143 -1.750 4.590 1.00 0.00 C ATOM 0 H LEU A 63 0.524 -3.104 5.610 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.439 -0.490 5.299 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.245 -2.697 7.229 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.197 -1.263 6.900 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.404 -2.985 4.580 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.362 -4.431 4.943 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.161 -4.607 6.244 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.639 -3.654 6.520 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.619 -2.278 3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.904 -1.418 5.296 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.604 -0.885 4.205 1.00 0.00 H new ATOM 981 N ASP A 64 1.057 -1.105 8.157 1.00 0.00 N ATOM 982 CA ASP A 64 1.609 -0.480 9.354 1.00 0.00 C ATOM 983 C ASP A 64 2.641 0.581 8.988 1.00 0.00 C ATOM 984 O ASP A 64 2.691 1.649 9.599 1.00 0.00 O ATOM 985 CB ASP A 64 2.247 -1.537 10.258 1.00 0.00 C ATOM 986 CG ASP A 64 2.038 -1.239 11.730 1.00 0.00 C ATOM 987 OD1 ASP A 64 0.968 -0.701 12.081 1.00 0.00 O ATOM 988 OD2 ASP A 64 2.946 -1.544 12.532 1.00 0.00 O ATOM 0 H ASP A 64 1.305 -2.088 8.042 1.00 0.00 H new ATOM 0 HA ASP A 64 0.792 0.003 9.890 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.825 -2.514 10.024 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.315 -1.593 10.049 1.00 0.00 H new ATOM 993 N LEU A 65 3.461 0.281 7.987 1.00 0.00 N ATOM 994 CA LEU A 65 4.492 1.210 7.539 1.00 0.00 C ATOM 995 C LEU A 65 3.871 2.488 6.987 1.00 0.00 C ATOM 996 O LEU A 65 4.188 3.589 7.436 1.00 0.00 O ATOM 997 CB LEU A 65 5.370 0.554 6.472 1.00 0.00 C ATOM 998 CG LEU A 65 6.432 -0.407 7.007 1.00 0.00 C ATOM 999 CD1 LEU A 65 6.991 -1.265 5.884 1.00 0.00 C ATOM 1000 CD2 LEU A 65 7.548 0.365 7.697 1.00 0.00 C ATOM 0 H LEU A 65 3.432 -0.598 7.470 1.00 0.00 H new ATOM 0 HA LEU A 65 5.109 1.470 8.399 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.728 0.011 5.778 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.867 1.338 5.900 1.00 0.00 H new ATOM 0 HG LEU A 65 5.964 -1.065 7.739 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.745 -1.942 6.285 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.185 -1.845 5.433 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.444 -0.624 5.127 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.296 -0.334 8.072 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.013 1.047 6.985 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.135 0.936 8.529 1.00 0.00 H new ATOM 1012 N VAL A 66 2.982 2.334 6.010 1.00 0.00 N ATOM 1013 CA VAL A 66 2.315 3.475 5.394 1.00 0.00 C ATOM 1014 C VAL A 66 1.569 4.304 6.435 1.00 0.00 C ATOM 1015 O VAL A 66 1.516 5.530 6.344 1.00 0.00 O ATOM 1016 CB VAL A 66 1.323 3.025 4.306 1.00 0.00 C ATOM 1017 CG1 VAL A 66 0.767 4.227 3.556 1.00 0.00 C ATOM 1018 CG2 VAL A 66 1.991 2.051 3.345 1.00 0.00 C ATOM 0 H VAL A 66 2.707 1.429 5.628 1.00 0.00 H new ATOM 0 HA VAL A 66 3.093 4.086 4.936 1.00 0.00 H new ATOM 0 HB VAL A 66 0.491 2.512 4.789 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.068 3.887 2.792 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.249 4.884 4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.585 4.771 3.084 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.275 1.743 2.583 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.843 2.537 2.868 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.334 1.175 3.895 1.00 0.00 H new ATOM 1028 N GLN A 67 0.996 3.625 7.424 1.00 0.00 N ATOM 1029 CA GLN A 67 0.254 4.300 8.481 1.00 0.00 C ATOM 1030 C GLN A 67 1.160 5.243 9.265 1.00 0.00 C ATOM 1031 O GLN A 67 0.708 6.261 9.792 1.00 0.00 O ATOM 1032 CB GLN A 67 -0.373 3.273 9.427 1.00 0.00 C ATOM 1033 CG GLN A 67 -1.689 2.705 8.921 1.00 0.00 C ATOM 1034 CD GLN A 67 -2.080 1.422 9.629 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -1.604 1.135 10.726 1.00 0.00 O ATOM 1036 NE2 GLN A 67 -2.952 0.642 8.999 1.00 0.00 N ATOM 0 H GLN A 67 1.032 2.610 7.515 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.537 4.888 8.017 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.331 2.455 9.581 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.537 3.739 10.399 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.477 3.446 9.058 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.611 2.516 7.850 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.321 0.920 8.090 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.252 -0.235 9.425 1.00 0.00 H new ATOM 1045 N SER A 68 2.442 4.900 9.339 1.00 0.00 N ATOM 1046 CA SER A 68 3.412 5.718 10.060 1.00 0.00 C ATOM 1047 C SER A 68 3.959 6.826 9.166 1.00 0.00 C ATOM 1048 O SER A 68 4.273 7.919 9.639 1.00 0.00 O ATOM 1049 CB SER A 68 4.561 4.849 10.574 1.00 0.00 C ATOM 1050 OG SER A 68 5.635 5.646 11.041 1.00 0.00 O ATOM 0 H SER A 68 2.834 4.062 8.909 1.00 0.00 H new ATOM 0 HA SER A 68 2.904 6.177 10.909 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.203 4.207 11.379 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.911 4.194 9.776 1.00 0.00 H new ATOM 0 HG SER A 68 6.356 5.066 11.365 1.00 0.00 H new ATOM 1056 N LYS A 69 4.071 6.538 7.875 1.00 0.00 N ATOM 1057 CA LYS A 69 4.582 7.510 6.915 1.00 0.00 C ATOM 1058 C LYS A 69 3.707 8.761 6.890 1.00 0.00 C ATOM 1059 O LYS A 69 4.120 9.828 7.346 1.00 0.00 O ATOM 1060 CB LYS A 69 4.649 6.893 5.517 1.00 0.00 C ATOM 1061 CG LYS A 69 5.622 5.729 5.414 1.00 0.00 C ATOM 1062 CD LYS A 69 5.946 5.402 3.965 1.00 0.00 C ATOM 1063 CE LYS A 69 6.930 4.247 3.862 1.00 0.00 C ATOM 1064 NZ LYS A 69 8.336 4.723 3.749 1.00 0.00 N ATOM 0 H LYS A 69 3.815 5.639 7.468 1.00 0.00 H new ATOM 0 HA LYS A 69 5.587 7.796 7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.654 6.551 5.231 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.939 7.663 4.802 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.541 5.973 5.948 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.195 4.852 5.900 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.028 5.148 3.434 1.00 0.00 H new ATOM 0 HD3 LYS A 69 6.364 6.282 3.477 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.833 3.608 4.740 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.683 3.636 2.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.979 3.999 4.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 8.564 4.898 2.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.449 5.604 4.290 1.00 0.00 H new ATOM 1078 N GLY A 70 2.498 8.621 6.356 1.00 0.00 N ATOM 1079 CA GLY A 70 1.586 9.747 6.283 1.00 0.00 C ATOM 1080 C GLY A 70 0.487 9.540 5.261 1.00 0.00 C ATOM 1081 O GLY A 70 0.298 8.432 4.759 1.00 0.00 O ATOM 0 H GLY A 70 2.134 7.749 5.973 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.139 9.912 7.263 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.146 10.648 6.032 1.00 0.00 H new ATOM 1085 N GLU A 71 -0.242 10.607 4.954 1.00 0.00 N ATOM 1086 CA GLU A 71 -1.330 10.539 3.985 1.00 0.00 C ATOM 1087 C GLU A 71 -0.791 10.497 2.558 1.00 0.00 C ATOM 1088 O GLU A 71 -1.428 9.948 1.660 1.00 0.00 O ATOM 1089 CB GLU A 71 -2.268 11.735 4.155 1.00 0.00 C ATOM 1090 CG GLU A 71 -3.333 11.527 5.219 1.00 0.00 C ATOM 1091 CD GLU A 71 -4.578 12.355 4.967 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -5.382 11.967 4.093 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -4.749 13.390 5.643 1.00 0.00 O ATOM 0 H GLU A 71 -0.099 11.531 5.363 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.887 9.620 4.168 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.678 12.615 4.411 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.754 11.943 3.202 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.604 10.472 5.255 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.921 11.784 6.195 1.00 0.00 H new ATOM 1100 N GLU A 72 0.387 11.082 2.357 1.00 0.00 N ATOM 1101 CA GLU A 72 1.011 11.111 1.038 1.00 0.00 C ATOM 1102 C GLU A 72 1.199 9.698 0.491 1.00 0.00 C ATOM 1103 O GLU A 72 1.055 9.463 -0.708 1.00 0.00 O ATOM 1104 CB GLU A 72 2.361 11.829 1.106 1.00 0.00 C ATOM 1105 CG GLU A 72 2.632 12.728 -0.089 1.00 0.00 C ATOM 1106 CD GLU A 72 4.076 12.670 -0.546 1.00 0.00 C ATOM 1107 OE1 GLU A 72 4.916 13.376 0.049 1.00 0.00 O ATOM 1108 OE2 GLU A 72 4.367 11.917 -1.500 1.00 0.00 O ATOM 0 H GLU A 72 0.928 11.542 3.090 1.00 0.00 H new ATOM 0 HA GLU A 72 0.350 11.656 0.363 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.400 12.427 2.016 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.155 11.086 1.179 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.982 12.436 -0.914 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.377 13.756 0.169 1.00 0.00 H new ATOM 1115 N VAL A 73 1.521 8.763 1.379 1.00 0.00 N ATOM 1116 CA VAL A 73 1.727 7.375 0.986 1.00 0.00 C ATOM 1117 C VAL A 73 0.438 6.571 1.113 1.00 0.00 C ATOM 1118 O VAL A 73 0.158 5.695 0.295 1.00 0.00 O ATOM 1119 CB VAL A 73 2.822 6.706 1.838 1.00 0.00 C ATOM 1120 CG1 VAL A 73 3.156 5.326 1.293 1.00 0.00 C ATOM 1121 CG2 VAL A 73 4.065 7.580 1.894 1.00 0.00 C ATOM 0 H VAL A 73 1.645 8.942 2.376 1.00 0.00 H new ATOM 0 HA VAL A 73 2.045 7.386 -0.057 1.00 0.00 H new ATOM 0 HB VAL A 73 2.443 6.588 2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.931 4.870 1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.263 4.701 1.312 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.513 5.417 0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.827 7.090 2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.448 7.734 0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.813 8.543 2.337 1.00 0.00 H new ATOM 1131 N SER A 74 -0.343 6.875 2.145 1.00 0.00 N ATOM 1132 CA SER A 74 -1.603 6.180 2.381 1.00 0.00 C ATOM 1133 C SER A 74 -2.552 6.358 1.200 1.00 0.00 C ATOM 1134 O SER A 74 -3.249 5.423 0.804 1.00 0.00 O ATOM 1135 CB SER A 74 -2.262 6.697 3.661 1.00 0.00 C ATOM 1136 OG SER A 74 -3.567 6.165 3.815 1.00 0.00 O ATOM 0 H SER A 74 -0.125 7.598 2.831 1.00 0.00 H new ATOM 0 HA SER A 74 -1.388 5.118 2.494 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.652 6.426 4.523 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.311 7.786 3.634 1.00 0.00 H new ATOM 0 HG SER A 74 -3.670 5.808 4.722 1.00 0.00 H new ATOM 1142 N GLU A 75 -2.575 7.563 0.641 1.00 0.00 N ATOM 1143 CA GLU A 75 -3.439 7.864 -0.495 1.00 0.00 C ATOM 1144 C GLU A 75 -2.967 7.133 -1.747 1.00 0.00 C ATOM 1145 O GLU A 75 -3.768 6.552 -2.478 1.00 0.00 O ATOM 1146 CB GLU A 75 -3.473 9.372 -0.751 1.00 0.00 C ATOM 1147 CG GLU A 75 -4.418 9.778 -1.870 1.00 0.00 C ATOM 1148 CD GLU A 75 -4.707 11.266 -1.878 1.00 0.00 C ATOM 1149 OE1 GLU A 75 -3.799 12.045 -2.236 1.00 0.00 O ATOM 1150 OE2 GLU A 75 -5.841 11.653 -1.526 1.00 0.00 O ATOM 0 H GLU A 75 -2.005 8.348 0.956 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.445 7.521 -0.255 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.769 9.881 0.166 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.467 9.714 -0.994 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.985 9.491 -2.828 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.355 9.230 -1.766 1.00 0.00 H new ATOM 1157 N PHE A 76 -1.660 7.168 -1.988 1.00 0.00 N ATOM 1158 CA PHE A 76 -1.080 6.509 -3.154 1.00 0.00 C ATOM 1159 C PHE A 76 -1.216 4.994 -3.046 1.00 0.00 C ATOM 1160 O PHE A 76 -1.410 4.305 -4.047 1.00 0.00 O ATOM 1161 CB PHE A 76 0.393 6.892 -3.300 1.00 0.00 C ATOM 1162 CG PHE A 76 1.042 6.325 -4.532 1.00 0.00 C ATOM 1163 CD1 PHE A 76 0.953 6.989 -5.745 1.00 0.00 C ATOM 1164 CD2 PHE A 76 1.739 5.129 -4.476 1.00 0.00 C ATOM 1165 CE1 PHE A 76 1.548 6.471 -6.880 1.00 0.00 C ATOM 1166 CE2 PHE A 76 2.337 4.606 -5.607 1.00 0.00 C ATOM 1167 CZ PHE A 76 2.241 5.278 -6.810 1.00 0.00 C ATOM 0 H PHE A 76 -0.983 7.645 -1.392 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.624 6.842 -4.038 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.477 7.979 -3.322 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.938 6.548 -2.421 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.412 7.922 -5.804 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.816 4.599 -3.538 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.471 6.998 -7.820 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.879 3.673 -5.550 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.707 4.871 -7.695 1.00 0.00 H new ATOM 1177 N PHE A 77 -1.115 4.481 -1.823 1.00 0.00 N ATOM 1178 CA PHE A 77 -1.228 3.048 -1.584 1.00 0.00 C ATOM 1179 C PHE A 77 -2.637 2.553 -1.894 1.00 0.00 C ATOM 1180 O PHE A 77 -2.816 1.562 -2.602 1.00 0.00 O ATOM 1181 CB PHE A 77 -0.867 2.721 -0.134 1.00 0.00 C ATOM 1182 CG PHE A 77 -0.748 1.248 0.138 1.00 0.00 C ATOM 1183 CD1 PHE A 77 0.344 0.532 -0.325 1.00 0.00 C ATOM 1184 CD2 PHE A 77 -1.728 0.581 0.855 1.00 0.00 C ATOM 1185 CE1 PHE A 77 0.456 -0.823 -0.078 1.00 0.00 C ATOM 1186 CE2 PHE A 77 -1.621 -0.774 1.105 1.00 0.00 C ATOM 1187 CZ PHE A 77 -0.528 -1.477 0.638 1.00 0.00 C ATOM 0 H PHE A 77 -0.955 5.037 -0.983 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.530 2.539 -2.248 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.077 3.206 0.115 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.626 3.144 0.525 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.116 1.038 -0.885 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.585 1.126 1.223 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.312 -1.370 -0.444 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.392 -1.283 1.665 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.443 -2.536 0.832 1.00 0.00 H new ATOM 1197 N LEU A 78 -3.634 3.250 -1.359 1.00 0.00 N ATOM 1198 CA LEU A 78 -5.027 2.881 -1.579 1.00 0.00 C ATOM 1199 C LEU A 78 -5.411 3.052 -3.045 1.00 0.00 C ATOM 1200 O LEU A 78 -6.258 2.324 -3.565 1.00 0.00 O ATOM 1201 CB LEU A 78 -5.946 3.730 -0.697 1.00 0.00 C ATOM 1202 CG LEU A 78 -6.209 3.161 0.700 1.00 0.00 C ATOM 1203 CD1 LEU A 78 -6.036 4.238 1.760 1.00 0.00 C ATOM 1204 CD2 LEU A 78 -7.603 2.556 0.776 1.00 0.00 C ATOM 0 H LEU A 78 -3.503 4.073 -0.771 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.145 1.831 -1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.508 4.723 -0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.901 3.855 -1.208 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.480 2.373 0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.227 3.813 2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.017 4.624 1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.739 5.050 1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.772 2.157 1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.345 3.325 0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.691 1.753 0.045 1.00 0.00 H new ATOM 1216 N TYR A 79 -4.783 4.018 -3.707 1.00 0.00 N ATOM 1217 CA TYR A 79 -5.058 4.285 -5.114 1.00 0.00 C ATOM 1218 C TYR A 79 -4.633 3.108 -5.986 1.00 0.00 C ATOM 1219 O TYR A 79 -5.290 2.787 -6.977 1.00 0.00 O ATOM 1220 CB TYR A 79 -4.336 5.555 -5.565 1.00 0.00 C ATOM 1221 CG TYR A 79 -5.055 6.305 -6.663 1.00 0.00 C ATOM 1222 CD1 TYR A 79 -5.258 5.724 -7.908 1.00 0.00 C ATOM 1223 CD2 TYR A 79 -5.534 7.593 -6.454 1.00 0.00 C ATOM 1224 CE1 TYR A 79 -5.915 6.406 -8.915 1.00 0.00 C ATOM 1225 CE2 TYR A 79 -6.191 8.281 -7.455 1.00 0.00 C ATOM 1226 CZ TYR A 79 -6.380 7.684 -8.683 1.00 0.00 C ATOM 1227 OH TYR A 79 -7.034 8.365 -9.683 1.00 0.00 O ATOM 0 H TYR A 79 -4.080 4.629 -3.292 1.00 0.00 H new ATOM 0 HA TYR A 79 -6.133 4.427 -5.226 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.211 6.216 -4.707 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.337 5.291 -5.912 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -4.897 4.723 -8.092 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -5.390 8.064 -5.493 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -6.064 5.941 -9.878 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.555 9.282 -7.277 1.00 0.00 H new ATOM 0 HH TYR A 79 -7.298 9.251 -9.357 1.00 0.00 H new ATOM 1237 N LEU A 80 -3.529 2.468 -5.611 1.00 0.00 N ATOM 1238 CA LEU A 80 -3.015 1.328 -6.361 1.00 0.00 C ATOM 1239 C LEU A 80 -4.028 0.187 -6.378 1.00 0.00 C ATOM 1240 O LEU A 80 -4.252 -0.443 -7.411 1.00 0.00 O ATOM 1241 CB LEU A 80 -1.696 0.845 -5.755 1.00 0.00 C ATOM 1242 CG LEU A 80 -0.452 1.587 -6.243 1.00 0.00 C ATOM 1243 CD1 LEU A 80 0.668 1.480 -5.220 1.00 0.00 C ATOM 1244 CD2 LEU A 80 -0.001 1.042 -7.588 1.00 0.00 C ATOM 0 H LEU A 80 -2.974 2.720 -4.793 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.839 1.650 -7.388 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.755 0.940 -4.671 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.578 -0.216 -5.976 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.705 2.640 -6.366 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.546 2.014 -5.584 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.342 1.918 -4.277 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.920 0.431 -5.065 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.886 1.582 -7.920 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.234 -0.018 -7.491 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.799 1.171 -8.319 1.00 0.00 H new ATOM 1256 N LEU A 81 -4.638 -0.072 -5.226 1.00 0.00 N ATOM 1257 CA LEU A 81 -5.629 -1.137 -5.107 1.00 0.00 C ATOM 1258 C LEU A 81 -6.788 -0.917 -6.077 1.00 0.00 C ATOM 1259 O LEU A 81 -7.444 -1.869 -6.500 1.00 0.00 O ATOM 1260 CB LEU A 81 -6.156 -1.215 -3.674 1.00 0.00 C ATOM 1261 CG LEU A 81 -5.170 -1.790 -2.651 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -4.862 -0.768 -1.568 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -5.723 -3.069 -2.036 1.00 0.00 C ATOM 0 H LEU A 81 -4.464 0.440 -4.361 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.143 -2.079 -5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.445 -0.214 -3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.059 -1.825 -3.668 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.241 -2.030 -3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.160 -1.197 -0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.421 0.120 -2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.783 -0.494 -1.054 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.009 -3.463 -1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.667 -2.853 -1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.889 -3.807 -2.820 1.00 0.00 H new ATOM 1275 N GLN A 82 -7.034 0.343 -6.424 1.00 0.00 N ATOM 1276 CA GLN A 82 -8.115 0.684 -7.342 1.00 0.00 C ATOM 1277 C GLN A 82 -7.689 0.464 -8.790 1.00 0.00 C ATOM 1278 O GLN A 82 -8.465 -0.027 -9.610 1.00 0.00 O ATOM 1279 CB GLN A 82 -8.542 2.138 -7.140 1.00 0.00 C ATOM 1280 CG GLN A 82 -9.853 2.488 -7.827 1.00 0.00 C ATOM 1281 CD GLN A 82 -9.778 3.792 -8.597 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -8.696 4.244 -8.971 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -10.932 4.404 -8.837 1.00 0.00 N ATOM 0 H GLN A 82 -6.500 1.143 -6.084 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.960 0.030 -7.128 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.637 2.335 -6.072 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.757 2.794 -7.517 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.128 1.683 -8.509 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.644 2.557 -7.080 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -11.805 3.993 -8.508 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -10.945 5.285 -9.350 1.00 0.00 H new ATOM 1292 N GLN A 83 -6.448 0.829 -9.099 1.00 0.00 N ATOM 1293 CA GLN A 83 -5.918 0.673 -10.449 1.00 0.00 C ATOM 1294 C GLN A 83 -5.618 -0.794 -10.747 1.00 0.00 C ATOM 1295 O GLN A 83 -5.940 -1.297 -11.823 1.00 0.00 O ATOM 1296 CB GLN A 83 -4.650 1.511 -10.622 1.00 0.00 C ATOM 1297 CG GLN A 83 -4.522 2.141 -11.999 1.00 0.00 C ATOM 1298 CD GLN A 83 -3.105 2.084 -12.535 1.00 0.00 C ATOM 1299 OE1 GLN A 83 -2.431 3.107 -12.653 1.00 0.00 O ATOM 1300 NE2 GLN A 83 -2.645 0.883 -12.865 1.00 0.00 N ATOM 0 H GLN A 83 -5.791 1.235 -8.433 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.673 1.022 -11.153 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.639 2.299 -9.869 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -3.780 0.881 -10.437 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -5.190 1.630 -12.692 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.847 3.180 -11.951 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -3.238 0.061 -12.751 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -1.699 0.783 -13.232 1.00 0.00 H new ATOM 1309 N LEU A 84 -4.998 -1.471 -9.786 1.00 0.00 N ATOM 1310 CA LEU A 84 -4.653 -2.880 -9.945 1.00 0.00 C ATOM 1311 C LEU A 84 -5.894 -3.765 -9.851 1.00 0.00 C ATOM 1312 O LEU A 84 -5.879 -4.916 -10.288 1.00 0.00 O ATOM 1313 CB LEU A 84 -3.632 -3.298 -8.885 1.00 0.00 C ATOM 1314 CG LEU A 84 -2.259 -2.637 -9.013 1.00 0.00 C ATOM 1315 CD1 LEU A 84 -1.604 -2.501 -7.647 1.00 0.00 C ATOM 1316 CD2 LEU A 84 -1.371 -3.434 -9.957 1.00 0.00 C ATOM 0 H LEU A 84 -4.724 -1.068 -8.890 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.215 -3.009 -10.935 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.039 -3.068 -7.900 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.504 -4.379 -8.932 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.393 -1.639 -9.429 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.628 -2.029 -7.757 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.233 -1.888 -7.001 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.481 -3.489 -7.202 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.398 -2.950 -10.037 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.243 -4.445 -9.570 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.835 -3.479 -10.942 1.00 0.00 H new ATOM 1328 N ALA A 85 -6.967 -3.225 -9.275 1.00 0.00 N ATOM 1329 CA ALA A 85 -8.213 -3.969 -9.125 1.00 0.00 C ATOM 1330 C ALA A 85 -8.658 -4.584 -10.449 1.00 0.00 C ATOM 1331 O ALA A 85 -9.350 -5.603 -10.470 1.00 0.00 O ATOM 1332 CB ALA A 85 -9.303 -3.064 -8.571 1.00 0.00 C ATOM 0 H ALA A 85 -6.997 -2.275 -8.905 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.034 -4.783 -8.422 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.227 -3.631 -8.464 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -8.998 -2.681 -7.597 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.466 -2.230 -9.254 1.00 0.00 H new ATOM 1338 N ASP A 86 -8.257 -3.960 -11.553 1.00 0.00 N ATOM 1339 CA ASP A 86 -8.615 -4.448 -12.879 1.00 0.00 C ATOM 1340 C ASP A 86 -8.122 -5.878 -13.085 1.00 0.00 C ATOM 1341 O ASP A 86 -8.738 -6.659 -13.811 1.00 0.00 O ATOM 1342 CB ASP A 86 -8.029 -3.533 -13.957 1.00 0.00 C ATOM 1343 CG ASP A 86 -9.001 -3.280 -15.092 1.00 0.00 C ATOM 1344 OD1 ASP A 86 -9.955 -4.072 -15.245 1.00 0.00 O ATOM 1345 OD2 ASP A 86 -8.810 -2.289 -15.827 1.00 0.00 O ATOM 0 H ASP A 86 -7.684 -3.116 -11.555 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.702 -4.443 -12.960 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.745 -2.582 -13.507 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.119 -3.982 -14.355 1.00 0.00 H new ATOM 1350 N ALA A 87 -7.007 -6.213 -12.443 1.00 0.00 N ATOM 1351 CA ALA A 87 -6.431 -7.546 -12.557 1.00 0.00 C ATOM 1352 C ALA A 87 -6.960 -8.468 -11.462 1.00 0.00 C ATOM 1353 O ALA A 87 -7.352 -9.604 -11.729 1.00 0.00 O ATOM 1354 CB ALA A 87 -4.914 -7.473 -12.498 1.00 0.00 C ATOM 0 H ALA A 87 -6.485 -5.578 -11.838 1.00 0.00 H new ATOM 0 HA ALA A 87 -6.727 -7.961 -13.521 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.498 -8.477 -12.584 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.547 -6.856 -13.318 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.608 -7.034 -11.549 1.00 0.00 H new ATOM 1360 N TYR A 88 -6.969 -7.970 -10.230 1.00 0.00 N ATOM 1361 CA TYR A 88 -7.449 -8.748 -9.094 1.00 0.00 C ATOM 1362 C TYR A 88 -8.920 -9.110 -9.266 1.00 0.00 C ATOM 1363 O TYR A 88 -9.723 -8.291 -9.714 1.00 0.00 O ATOM 1364 CB TYR A 88 -7.252 -7.966 -7.795 1.00 0.00 C ATOM 1365 CG TYR A 88 -5.814 -7.913 -7.331 1.00 0.00 C ATOM 1366 CD1 TYR A 88 -4.886 -7.101 -7.971 1.00 0.00 C ATOM 1367 CD2 TYR A 88 -5.383 -8.676 -6.252 1.00 0.00 C ATOM 1368 CE1 TYR A 88 -3.571 -7.051 -7.551 1.00 0.00 C ATOM 1369 CE2 TYR A 88 -4.070 -8.631 -5.824 1.00 0.00 C ATOM 1370 CZ TYR A 88 -3.168 -7.817 -6.478 1.00 0.00 C ATOM 1371 OH TYR A 88 -1.859 -7.770 -6.056 1.00 0.00 O ATOM 0 H TYR A 88 -6.649 -7.031 -9.993 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.870 -9.670 -9.046 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.617 -6.949 -7.935 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.861 -8.419 -7.012 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -5.198 -6.499 -8.811 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.087 -9.315 -5.739 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.862 -6.415 -8.061 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -3.752 -9.229 -4.983 1.00 0.00 H new ATOM 0 HH TYR A 88 -1.813 -8.003 -5.105 1.00 0.00 H new ATOM 1381 N VAL A 89 -9.268 -10.341 -8.907 1.00 0.00 N ATOM 1382 CA VAL A 89 -10.643 -10.811 -9.021 1.00 0.00 C ATOM 1383 C VAL A 89 -11.285 -10.973 -7.647 1.00 0.00 C ATOM 1384 O VAL A 89 -12.158 -11.820 -7.455 1.00 0.00 O ATOM 1385 CB VAL A 89 -10.718 -12.155 -9.770 1.00 0.00 C ATOM 1386 CG1 VAL A 89 -10.326 -11.977 -11.229 1.00 0.00 C ATOM 1387 CG2 VAL A 89 -9.834 -13.192 -9.095 1.00 0.00 C ATOM 0 H VAL A 89 -8.616 -11.031 -8.534 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.188 -10.056 -9.588 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.747 -12.512 -9.736 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.385 -12.937 -11.741 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.005 -11.269 -11.705 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.306 -11.597 -11.288 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.900 -14.135 -9.638 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.801 -12.845 -9.095 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.167 -13.341 -8.068 1.00 0.00 H new ATOM 1397 N ASP A 90 -10.849 -10.154 -6.696 1.00 0.00 N ATOM 1398 CA ASP A 90 -11.384 -10.206 -5.339 1.00 0.00 C ATOM 1399 C ASP A 90 -11.808 -8.819 -4.869 1.00 0.00 C ATOM 1400 O ASP A 90 -12.963 -8.603 -4.504 1.00 0.00 O ATOM 1401 CB ASP A 90 -10.342 -10.786 -4.381 1.00 0.00 C ATOM 1402 CG ASP A 90 -10.331 -12.302 -4.386 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -9.989 -12.889 -5.434 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -10.665 -12.901 -3.343 1.00 0.00 O ATOM 0 H ASP A 90 -10.128 -9.447 -6.839 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.262 -10.852 -5.345 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.354 -10.418 -4.657 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.544 -10.430 -3.371 1.00 0.00 H new ATOM 1409 N LEU A 91 -10.864 -7.883 -4.881 1.00 0.00 N ATOM 1410 CA LEU A 91 -11.141 -6.515 -4.455 1.00 0.00 C ATOM 1411 C LEU A 91 -12.074 -5.818 -5.439 1.00 0.00 C ATOM 1412 O LEU A 91 -11.712 -5.582 -6.592 1.00 0.00 O ATOM 1413 CB LEU A 91 -9.836 -5.726 -4.324 1.00 0.00 C ATOM 1414 CG LEU A 91 -8.865 -6.252 -3.263 1.00 0.00 C ATOM 1415 CD1 LEU A 91 -7.523 -6.601 -3.889 1.00 0.00 C ATOM 1416 CD2 LEU A 91 -8.683 -5.229 -2.150 1.00 0.00 C ATOM 0 H LEU A 91 -9.903 -8.046 -5.180 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.632 -6.555 -3.483 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.330 -5.726 -5.290 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -10.078 -4.689 -4.091 1.00 0.00 H new ATOM 0 HG LEU A 91 -9.289 -7.159 -2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.848 -6.973 -3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.665 -7.370 -4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.094 -5.711 -4.349 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.990 -5.621 -1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.283 -4.305 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.645 -5.028 -1.679 1.00 0.00 H new ATOM 1428 N ARG A 92 -13.275 -5.487 -4.976 1.00 0.00 N ATOM 1429 CA ARG A 92 -14.259 -4.813 -5.816 1.00 0.00 C ATOM 1430 C ARG A 92 -15.427 -4.292 -4.979 1.00 0.00 C ATOM 1431 O ARG A 92 -15.731 -3.099 -5.005 1.00 0.00 O ATOM 1432 CB ARG A 92 -14.767 -5.758 -6.907 1.00 0.00 C ATOM 1433 CG ARG A 92 -14.606 -5.208 -8.315 1.00 0.00 C ATOM 1434 CD ARG A 92 -15.306 -6.088 -9.338 1.00 0.00 C ATOM 1435 NE ARG A 92 -15.307 -5.486 -10.669 1.00 0.00 N ATOM 1436 CZ ARG A 92 -15.593 -6.154 -11.784 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -15.902 -7.444 -11.733 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -15.573 -5.531 -12.955 1.00 0.00 N ATOM 0 H ARG A 92 -13.590 -5.674 -4.024 1.00 0.00 H new ATOM 0 HA ARG A 92 -13.772 -3.960 -6.290 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -14.232 -6.705 -6.833 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -15.821 -5.972 -6.728 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -15.014 -4.198 -8.362 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.546 -5.135 -8.560 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -14.812 -7.059 -9.380 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -16.333 -6.267 -9.020 1.00 0.00 H new ATOM 0 HE ARG A 92 -15.075 -4.496 -10.748 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -15.921 -7.929 -10.836 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -16.120 -7.950 -12.591 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.338 -4.539 -13.001 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -15.792 -6.044 -13.809 1.00 0.00 H new ATOM 1452 N PRO A 93 -16.099 -5.177 -4.218 1.00 0.00 N ATOM 1453 CA PRO A 93 -17.232 -4.786 -3.374 1.00 0.00 C ATOM 1454 C PRO A 93 -16.817 -3.809 -2.279 1.00 0.00 C ATOM 1455 O PRO A 93 -17.599 -2.955 -1.863 1.00 0.00 O ATOM 1456 CB PRO A 93 -17.709 -6.107 -2.754 1.00 0.00 C ATOM 1457 CG PRO A 93 -17.105 -7.178 -3.598 1.00 0.00 C ATOM 1458 CD PRO A 93 -15.812 -6.618 -4.114 1.00 0.00 C ATOM 0 HA PRO A 93 -18.004 -4.274 -3.948 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -17.386 -6.194 -1.717 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.797 -6.172 -2.755 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.933 -8.083 -3.016 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -17.769 -7.448 -4.419 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -14.984 -6.818 -3.433 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -15.542 -7.047 -5.079 1.00 0.00 H new ATOM 1466 N TRP A 94 -15.578 -3.944 -1.818 1.00 0.00 N ATOM 1467 CA TRP A 94 -15.049 -3.077 -0.771 1.00 0.00 C ATOM 1468 C TRP A 94 -14.778 -1.676 -1.312 1.00 0.00 C ATOM 1469 O TRP A 94 -15.102 -0.678 -0.668 1.00 0.00 O ATOM 1470 CB TRP A 94 -13.765 -3.675 -0.193 1.00 0.00 C ATOM 1471 CG TRP A 94 -13.163 -2.850 0.905 1.00 0.00 C ATOM 1472 CD1 TRP A 94 -13.690 -2.623 2.144 1.00 0.00 C ATOM 1473 CD2 TRP A 94 -11.918 -2.145 0.861 1.00 0.00 C ATOM 1474 NE1 TRP A 94 -12.848 -1.819 2.872 1.00 0.00 N ATOM 1475 CE2 TRP A 94 -11.754 -1.512 2.107 1.00 0.00 C ATOM 1476 CE3 TRP A 94 -10.926 -1.987 -0.111 1.00 0.00 C ATOM 1477 CZ2 TRP A 94 -10.637 -0.735 2.407 1.00 0.00 C ATOM 1478 CZ3 TRP A 94 -9.818 -1.216 0.187 1.00 0.00 C ATOM 1479 CH2 TRP A 94 -9.682 -0.599 1.437 1.00 0.00 C ATOM 0 H TRP A 94 -14.920 -4.647 -2.154 1.00 0.00 H new ATOM 0 HA TRP A 94 -15.795 -3.000 0.020 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -13.978 -4.674 0.189 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -13.034 -3.789 -0.994 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -14.631 -3.018 2.499 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -13.011 -1.502 3.828 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -11.023 -2.459 -1.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -10.529 -0.258 3.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -9.045 -1.087 -0.556 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -8.804 -0.003 1.639 1.00 0.00 H new ATOM 1490 N LEU A 95 -14.181 -1.610 -2.497 1.00 0.00 N ATOM 1491 CA LEU A 95 -13.866 -0.332 -3.125 1.00 0.00 C ATOM 1492 C LEU A 95 -15.128 0.498 -3.334 1.00 0.00 C ATOM 1493 O LEU A 95 -15.163 1.686 -3.012 1.00 0.00 O ATOM 1494 CB LEU A 95 -13.163 -0.558 -4.465 1.00 0.00 C ATOM 1495 CG LEU A 95 -11.783 -1.211 -4.372 1.00 0.00 C ATOM 1496 CD1 LEU A 95 -11.502 -2.043 -5.614 1.00 0.00 C ATOM 1497 CD2 LEU A 95 -10.706 -0.155 -4.181 1.00 0.00 C ATOM 0 H LEU A 95 -13.905 -2.427 -3.042 1.00 0.00 H new ATOM 0 HA LEU A 95 -13.199 0.216 -2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.801 -1.181 -5.092 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -13.060 0.402 -4.970 1.00 0.00 H new ATOM 0 HG LEU A 95 -11.772 -1.873 -3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -10.516 -2.500 -5.530 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -12.257 -2.824 -5.708 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -11.531 -1.402 -6.495 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -9.731 -0.637 -4.117 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.716 0.532 -5.027 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -10.898 0.399 -3.262 1.00 0.00 H new ATOM 1509 N LEU A 96 -16.163 -0.135 -3.874 1.00 0.00 N ATOM 1510 CA LEU A 96 -17.429 0.544 -4.125 1.00 0.00 C ATOM 1511 C LEU A 96 -18.134 0.883 -2.816 1.00 0.00 C ATOM 1512 O LEU A 96 -18.846 1.883 -2.724 1.00 0.00 O ATOM 1513 CB LEU A 96 -18.336 -0.327 -4.997 1.00 0.00 C ATOM 1514 CG LEU A 96 -17.702 -0.825 -6.296 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -18.710 -1.617 -7.113 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -17.158 0.343 -7.105 1.00 0.00 C ATOM 0 H LEU A 96 -16.151 -1.118 -4.147 1.00 0.00 H new ATOM 0 HA LEU A 96 -17.215 1.474 -4.652 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -18.656 -1.190 -4.413 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -19.233 0.242 -5.243 1.00 0.00 H new ATOM 0 HG LEU A 96 -16.872 -1.485 -6.043 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -18.240 -1.963 -8.034 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -19.052 -2.476 -6.535 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -19.561 -0.981 -7.357 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -16.710 -0.030 -8.026 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -17.971 1.027 -7.348 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -16.403 0.869 -6.522 1.00 0.00 H new ATOM 1528 N GLU A 97 -17.931 0.044 -1.806 1.00 0.00 N ATOM 1529 CA GLU A 97 -18.548 0.255 -0.502 1.00 0.00 C ATOM 1530 C GLU A 97 -18.086 1.573 0.111 1.00 0.00 C ATOM 1531 O GLU A 97 -18.902 2.415 0.486 1.00 0.00 O ATOM 1532 CB GLU A 97 -18.210 -0.903 0.439 1.00 0.00 C ATOM 1533 CG GLU A 97 -19.014 -0.893 1.730 1.00 0.00 C ATOM 1534 CD GLU A 97 -19.558 -2.262 2.090 1.00 0.00 C ATOM 1535 OE1 GLU A 97 -20.635 -2.628 1.572 1.00 0.00 O ATOM 1536 OE2 GLU A 97 -18.909 -2.967 2.890 1.00 0.00 O ATOM 0 H GLU A 97 -17.344 -0.788 -1.865 1.00 0.00 H new ATOM 0 HA GLU A 97 -19.628 0.298 -0.642 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -18.384 -1.845 -0.081 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -17.148 -0.865 0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -18.384 -0.531 2.543 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -19.842 -0.191 1.632 1.00 0.00 H new ATOM 1543 N ILE A 98 -16.772 1.745 0.209 1.00 0.00 N ATOM 1544 CA ILE A 98 -16.200 2.960 0.776 1.00 0.00 C ATOM 1545 C ILE A 98 -16.285 4.120 -0.210 1.00 0.00 C ATOM 1546 O ILE A 98 -16.458 5.273 0.184 1.00 0.00 O ATOM 1547 CB ILE A 98 -14.728 2.752 1.182 1.00 0.00 C ATOM 1548 CG1 ILE A 98 -13.894 2.334 -0.030 1.00 0.00 C ATOM 1549 CG2 ILE A 98 -14.626 1.712 2.287 1.00 0.00 C ATOM 1550 CD1 ILE A 98 -12.410 2.257 0.254 1.00 0.00 C ATOM 0 H ILE A 98 -16.083 1.058 -0.097 1.00 0.00 H new ATOM 0 HA ILE A 98 -16.784 3.199 1.665 1.00 0.00 H new ATOM 0 HB ILE A 98 -14.335 3.696 1.560 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -14.239 1.361 -0.380 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -14.064 3.043 -0.840 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -13.580 1.576 2.563 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.190 2.049 3.157 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -15.034 0.765 1.934 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.882 1.955 -0.650 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -12.050 3.234 0.575 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -12.228 1.526 1.042 1.00 0.00 H new ATOM 1562 N GLY A 99 -16.159 3.806 -1.496 1.00 0.00 N ATOM 1563 CA GLY A 99 -16.223 4.833 -2.519 1.00 0.00 C ATOM 1564 C GLY A 99 -14.956 5.661 -2.588 1.00 0.00 C ATOM 1565 O GLY A 99 -14.823 6.665 -1.888 1.00 0.00 O ATOM 0 H GLY A 99 -16.014 2.859 -1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.402 4.366 -3.488 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -17.071 5.488 -2.320 1.00 0.00 H new ATOM 1569 N PHE A 100 -14.021 5.239 -3.433 1.00 0.00 N ATOM 1570 CA PHE A 100 -12.757 5.948 -3.591 1.00 0.00 C ATOM 1571 C PHE A 100 -12.820 6.920 -4.766 1.00 0.00 C ATOM 1572 O PHE A 100 -11.886 7.012 -5.562 1.00 0.00 O ATOM 1573 CB PHE A 100 -11.613 4.953 -3.798 1.00 0.00 C ATOM 1574 CG PHE A 100 -10.323 5.382 -3.161 1.00 0.00 C ATOM 1575 CD1 PHE A 100 -10.033 5.035 -1.851 1.00 0.00 C ATOM 1576 CD2 PHE A 100 -9.399 6.131 -3.872 1.00 0.00 C ATOM 1577 CE1 PHE A 100 -8.846 5.429 -1.262 1.00 0.00 C ATOM 1578 CE2 PHE A 100 -8.211 6.528 -3.289 1.00 0.00 C ATOM 1579 CZ PHE A 100 -7.933 6.176 -1.982 1.00 0.00 C ATOM 0 H PHE A 100 -14.115 4.409 -4.019 1.00 0.00 H new ATOM 0 HA PHE A 100 -12.573 6.519 -2.681 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -11.906 3.985 -3.391 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -11.452 4.814 -4.867 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -10.742 4.450 -1.284 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -9.610 6.408 -4.894 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.632 5.153 -0.240 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -7.500 7.113 -3.854 1.00 0.00 H new ATOM 0 HZ PHE A 100 -7.005 6.484 -1.524 1.00 0.00 H new