USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 769 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 72 HIS : no HD1:sc= -0.914 K(o=-1.2,f=-0.39) USER MOD Set 1.2: A 112 MET CE :methyl 151:sc= -0.238 (180deg=-1.92) USER MOD Set 2.1: A 11 THR OG1 : rot 136:sc= 0.765 USER MOD Set 2.2: A 76 CYS SG : rot -95:sc= -2.31! USER MOD Single : A 3 SER OG : rot -26:sc= 0.0609 USER MOD Single : A 7 MET CE :methyl 159:sc= -0.0864 (180deg=-0.605) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 160:sc= -0.216 (180deg=-1.04) USER MOD Single : A 17 THR OG1 : rot 78:sc= 1.22 USER MOD Single : A 19 GLN : amide:sc= -1.22 K(o=-1.2,f=-3.8!) USER MOD Single : A 20 MET CE :methyl -132:sc= -0.252 (180deg=-0.806) USER MOD Single : A 26 GLN : amide:sc= 0.917 K(o=0.92,f=-0.64) USER MOD Single : A 27 GLN : amide:sc= 0.626 K(o=0.63,f=-0.38) USER MOD Single : A 31 SER OG : rot 75:sc= 1.27 USER MOD Single : A 32 ASN : amide:sc= 1.2 K(o=1.2,f=-0.14) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.0164 K(o=0.016,f=-1.4) USER MOD Single : A 68 CYS SG : rot 72:sc= -1.62! USER MOD Single : A 70 LYS NZ :NH3+ 172:sc= 0.351 (180deg=0.202) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.0268 K(o=-0.027,f=-0.8) USER MOD Single : A 90 GLN : amide:sc= -3.64! C(o=-3.6!,f=-6.3!) USER MOD Single : A 95 GLN : amide:sc= -0.962 X(o=-0.96,f=-0.56) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.621! K(o=-0.62!,f=-0.029) USER MOD Single : A 103 SER OG : rot -80:sc= -1.46! USER MOD Single : A 106 GLN : amide:sc= -0.388 K(o=-0.39,f=-2.2!) USER MOD Single : A 113 LYS NZ :NH3+ 168:sc= -0.0129 (180deg=-0.182) USER MOD Single : A 114 GLN : amide:sc= -0.0169 X(o=-0.017,f=-0.41) USER MOD Single : A 119 HIS : no HD1:sc= -0.578 K(o=-0.58,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 37 N SER A 3 -22.481 3.597 -3.323 1.00 0.00 N ATOM 38 CA SER A 3 -22.279 3.530 -1.898 1.00 0.00 C ATOM 39 C SER A 3 -20.906 4.100 -1.536 1.00 0.00 C ATOM 40 O SER A 3 -19.965 4.022 -2.338 1.00 0.00 O ATOM 41 CB SER A 3 -22.401 2.075 -1.419 1.00 0.00 C ATOM 42 OG SER A 3 -21.451 1.234 -2.062 1.00 0.00 O ATOM 0 HA SER A 3 -23.044 4.126 -1.400 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.255 2.033 -0.340 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.408 1.708 -1.619 1.00 0.00 H new ATOM 0 HG SER A 3 -21.217 1.613 -2.935 1.00 0.00 H new ATOM 48 N PRO A 4 -20.767 4.684 -0.329 1.00 0.00 N ATOM 49 CA PRO A 4 -19.493 5.247 0.134 1.00 0.00 C ATOM 50 C PRO A 4 -18.406 4.181 0.200 1.00 0.00 C ATOM 51 O PRO A 4 -17.216 4.489 0.168 1.00 0.00 O ATOM 52 CB PRO A 4 -19.813 5.771 1.543 1.00 0.00 C ATOM 53 CG PRO A 4 -21.058 5.058 1.939 1.00 0.00 C ATOM 54 CD PRO A 4 -21.830 4.849 0.671 1.00 0.00 C ATOM 0 HA PRO A 4 -19.116 6.019 -0.537 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -18.999 5.562 2.237 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -19.959 6.851 1.540 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -20.828 4.106 2.418 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -21.634 5.645 2.655 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -22.473 3.970 0.728 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -22.472 5.699 0.443 1.00 0.00 H new ATOM 62 N ALA A 5 -18.840 2.923 0.275 1.00 0.00 N ATOM 63 CA ALA A 5 -17.939 1.786 0.315 1.00 0.00 C ATOM 64 C ALA A 5 -17.053 1.757 -0.920 1.00 0.00 C ATOM 65 O ALA A 5 -15.885 1.384 -0.842 1.00 0.00 O ATOM 66 CB ALA A 5 -18.733 0.494 0.427 1.00 0.00 C ATOM 0 H ALA A 5 -19.828 2.670 0.309 1.00 0.00 H new ATOM 0 HA ALA A 5 -17.298 1.884 1.191 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -18.048 -0.353 0.456 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -19.328 0.511 1.340 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -19.393 0.397 -0.435 1.00 0.00 H new ATOM 72 N GLU A 6 -17.608 2.172 -2.065 1.00 0.00 N ATOM 73 CA GLU A 6 -16.851 2.199 -3.304 1.00 0.00 C ATOM 74 C GLU A 6 -15.745 3.233 -3.207 1.00 0.00 C ATOM 75 O GLU A 6 -14.591 2.969 -3.549 1.00 0.00 O ATOM 76 CB GLU A 6 -17.774 2.519 -4.469 1.00 0.00 C ATOM 77 CG GLU A 6 -17.114 2.426 -5.827 1.00 0.00 C ATOM 78 CD GLU A 6 -18.065 2.765 -6.938 1.00 0.00 C ATOM 79 OE1 GLU A 6 -17.749 3.671 -7.744 1.00 0.00 O ATOM 80 OE2 GLU A 6 -19.144 2.142 -7.006 1.00 0.00 O ATOM 0 H GLU A 6 -18.573 2.490 -2.151 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.403 1.220 -3.473 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -18.624 1.837 -4.443 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.170 3.526 -4.338 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.260 3.102 -5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.729 1.417 -5.975 1.00 0.00 H new ATOM 87 N MET A 7 -16.122 4.414 -2.750 1.00 0.00 N ATOM 88 CA MET A 7 -15.179 5.503 -2.520 1.00 0.00 C ATOM 89 C MET A 7 -14.031 5.035 -1.631 1.00 0.00 C ATOM 90 O MET A 7 -12.865 5.273 -1.936 1.00 0.00 O ATOM 91 CB MET A 7 -15.894 6.690 -1.865 1.00 0.00 C ATOM 92 CG MET A 7 -14.988 7.878 -1.581 1.00 0.00 C ATOM 93 SD MET A 7 -15.843 9.214 -0.715 1.00 0.00 S ATOM 94 CE MET A 7 -16.208 8.425 0.855 1.00 0.00 C ATOM 0 H MET A 7 -17.089 4.649 -2.527 1.00 0.00 H new ATOM 0 HA MET A 7 -14.773 5.817 -3.481 1.00 0.00 H new ATOM 0 HB2 MET A 7 -16.708 7.014 -2.514 1.00 0.00 H new ATOM 0 HB3 MET A 7 -16.345 6.358 -0.930 1.00 0.00 H new ATOM 0 HG2 MET A 7 -14.139 7.548 -0.983 1.00 0.00 H new ATOM 0 HG3 MET A 7 -14.587 8.257 -2.521 1.00 0.00 H new ATOM 0 HE1 MET A 7 -16.385 9.188 1.613 1.00 0.00 H new ATOM 0 HE2 MET A 7 -17.097 7.803 0.752 1.00 0.00 H new ATOM 0 HE3 MET A 7 -15.364 7.804 1.155 1.00 0.00 H new ATOM 104 N VAL A 8 -14.381 4.354 -0.537 1.00 0.00 N ATOM 105 CA VAL A 8 -13.395 3.813 0.395 1.00 0.00 C ATOM 106 C VAL A 8 -12.447 2.858 -0.328 1.00 0.00 C ATOM 107 O VAL A 8 -11.226 2.961 -0.202 1.00 0.00 O ATOM 108 CB VAL A 8 -14.082 3.070 1.575 1.00 0.00 C ATOM 109 CG1 VAL A 8 -13.052 2.428 2.495 1.00 0.00 C ATOM 110 CG2 VAL A 8 -14.971 4.022 2.363 1.00 0.00 C ATOM 0 H VAL A 8 -15.349 4.164 -0.276 1.00 0.00 H new ATOM 0 HA VAL A 8 -12.827 4.651 0.798 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.702 2.279 1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.562 1.916 3.311 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.458 1.709 1.931 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.398 3.199 2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.443 3.483 3.185 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -14.367 4.837 2.763 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.740 4.429 1.707 1.00 0.00 H new ATOM 120 N LEU A 9 -13.017 1.954 -1.106 1.00 0.00 N ATOM 121 CA LEU A 9 -12.246 0.982 -1.862 1.00 0.00 C ATOM 122 C LEU A 9 -11.225 1.653 -2.758 1.00 0.00 C ATOM 123 O LEU A 9 -10.070 1.229 -2.809 1.00 0.00 O ATOM 124 CB LEU A 9 -13.177 0.095 -2.684 1.00 0.00 C ATOM 125 CG LEU A 9 -13.948 -0.937 -1.878 1.00 0.00 C ATOM 126 CD1 LEU A 9 -15.119 -1.481 -2.666 1.00 0.00 C ATOM 127 CD2 LEU A 9 -13.031 -2.067 -1.467 1.00 0.00 C ATOM 0 H LEU A 9 -14.026 1.873 -1.231 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.701 0.362 -1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -13.889 0.730 -3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.588 -0.422 -3.442 1.00 0.00 H new ATOM 0 HG LEU A 9 -14.337 -0.447 -0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -15.652 -2.217 -2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -15.794 -0.665 -2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.755 -1.953 -3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.594 -2.801 -0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.619 -2.543 -2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.218 -1.672 -0.858 1.00 0.00 H new ATOM 139 N GLU A 10 -11.640 2.704 -3.458 1.00 0.00 N ATOM 140 CA GLU A 10 -10.763 3.427 -4.340 1.00 0.00 C ATOM 141 C GLU A 10 -9.602 4.009 -3.575 1.00 0.00 C ATOM 142 O GLU A 10 -8.471 3.780 -3.929 1.00 0.00 O ATOM 143 CB GLU A 10 -11.529 4.540 -5.060 1.00 0.00 C ATOM 144 CG GLU A 10 -10.697 5.297 -6.086 1.00 0.00 C ATOM 145 CD GLU A 10 -10.261 4.422 -7.245 1.00 0.00 C ATOM 146 OE1 GLU A 10 -11.027 4.305 -8.225 1.00 0.00 O ATOM 147 OE2 GLU A 10 -9.151 3.860 -7.191 1.00 0.00 O ATOM 0 H GLU A 10 -12.592 3.069 -3.423 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.375 2.730 -5.083 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.397 4.107 -5.558 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.906 5.246 -4.320 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.276 6.138 -6.468 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.815 5.713 -5.598 1.00 0.00 H new ATOM 154 N THR A 11 -9.890 4.738 -2.503 1.00 0.00 N ATOM 155 CA THR A 11 -8.839 5.363 -1.713 1.00 0.00 C ATOM 156 C THR A 11 -7.762 4.358 -1.296 1.00 0.00 C ATOM 157 O THR A 11 -6.566 4.616 -1.446 1.00 0.00 O ATOM 158 CB THR A 11 -9.401 6.085 -0.470 1.00 0.00 C ATOM 159 OG1 THR A 11 -10.695 5.572 -0.137 1.00 0.00 O ATOM 160 CG2 THR A 11 -9.489 7.584 -0.707 1.00 0.00 C ATOM 0 H THR A 11 -10.836 4.909 -2.163 1.00 0.00 H new ATOM 0 HA THR A 11 -8.377 6.109 -2.359 1.00 0.00 H new ATOM 0 HB THR A 11 -8.719 5.903 0.361 1.00 0.00 H new ATOM 0 HG1 THR A 11 -10.751 5.429 0.831 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.888 8.070 0.183 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.495 7.977 -0.921 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.147 7.781 -1.553 1.00 0.00 H new ATOM 168 N LEU A 12 -8.190 3.189 -0.852 1.00 0.00 N ATOM 169 CA LEU A 12 -7.262 2.172 -0.394 1.00 0.00 C ATOM 170 C LEU A 12 -6.524 1.537 -1.553 1.00 0.00 C ATOM 171 O LEU A 12 -5.312 1.401 -1.519 1.00 0.00 O ATOM 172 CB LEU A 12 -7.973 1.086 0.418 1.00 0.00 C ATOM 173 CG LEU A 12 -8.232 1.399 1.891 1.00 0.00 C ATOM 174 CD1 LEU A 12 -9.367 2.381 2.052 1.00 0.00 C ATOM 175 CD2 LEU A 12 -8.523 0.131 2.653 1.00 0.00 C ATOM 0 H LEU A 12 -9.173 2.922 -0.799 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.540 2.673 0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.930 0.874 -0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.379 0.174 0.362 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.332 1.858 2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.526 2.583 3.111 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.120 3.310 1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.276 1.960 1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.705 0.370 3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.405 -0.352 2.232 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.669 -0.543 2.578 1.00 0.00 H new ATOM 187 N MET A 13 -7.257 1.194 -2.600 1.00 0.00 N ATOM 188 CA MET A 13 -6.680 0.493 -3.748 1.00 0.00 C ATOM 189 C MET A 13 -5.885 1.424 -4.633 1.00 0.00 C ATOM 190 O MET A 13 -5.082 0.989 -5.446 1.00 0.00 O ATOM 191 CB MET A 13 -7.763 -0.224 -4.549 1.00 0.00 C ATOM 192 CG MET A 13 -8.299 -1.447 -3.842 1.00 0.00 C ATOM 193 SD MET A 13 -7.034 -2.714 -3.640 1.00 0.00 S ATOM 194 CE MET A 13 -7.661 -3.589 -2.217 1.00 0.00 C ATOM 0 H MET A 13 -8.255 1.388 -2.684 1.00 0.00 H new ATOM 0 HA MET A 13 -5.989 -0.255 -3.358 1.00 0.00 H new ATOM 0 HB2 MET A 13 -8.583 0.467 -4.743 1.00 0.00 H new ATOM 0 HB3 MET A 13 -7.358 -0.518 -5.518 1.00 0.00 H new ATOM 0 HG2 MET A 13 -8.686 -1.161 -2.864 1.00 0.00 H new ATOM 0 HG3 MET A 13 -9.136 -1.856 -4.408 1.00 0.00 H new ATOM 0 HE1 MET A 13 -6.985 -4.407 -1.966 1.00 0.00 H new ATOM 0 HE2 MET A 13 -7.732 -2.905 -1.372 1.00 0.00 H new ATOM 0 HE3 MET A 13 -8.649 -3.991 -2.443 1.00 0.00 H new ATOM 204 N MET A 14 -6.082 2.692 -4.439 1.00 0.00 N ATOM 205 CA MET A 14 -5.424 3.694 -5.234 1.00 0.00 C ATOM 206 C MET A 14 -4.035 3.926 -4.713 1.00 0.00 C ATOM 207 O MET A 14 -3.070 3.931 -5.484 1.00 0.00 O ATOM 208 CB MET A 14 -6.225 4.991 -5.240 1.00 0.00 C ATOM 209 CG MET A 14 -5.548 6.160 -5.932 1.00 0.00 C ATOM 210 SD MET A 14 -6.673 7.550 -6.191 1.00 0.00 S ATOM 211 CE MET A 14 -7.449 7.672 -4.575 1.00 0.00 C ATOM 0 H MET A 14 -6.705 3.067 -3.723 1.00 0.00 H new ATOM 0 HA MET A 14 -5.358 3.339 -6.263 1.00 0.00 H new ATOM 0 HB2 MET A 14 -7.183 4.806 -5.726 1.00 0.00 H new ATOM 0 HB3 MET A 14 -6.439 5.273 -4.209 1.00 0.00 H new ATOM 0 HG2 MET A 14 -4.698 6.490 -5.335 1.00 0.00 H new ATOM 0 HG3 MET A 14 -5.153 5.831 -6.893 1.00 0.00 H new ATOM 0 HE1 MET A 14 -7.886 8.663 -4.455 1.00 0.00 H new ATOM 0 HE2 MET A 14 -8.231 6.918 -4.489 1.00 0.00 H new ATOM 0 HE3 MET A 14 -6.701 7.509 -3.799 1.00 0.00 H new ATOM 221 N GLU A 15 -3.901 4.084 -3.399 1.00 0.00 N ATOM 222 CA GLU A 15 -2.596 4.308 -2.861 1.00 0.00 C ATOM 223 C GLU A 15 -1.880 3.012 -2.616 1.00 0.00 C ATOM 224 O GLU A 15 -0.667 2.960 -2.708 1.00 0.00 O ATOM 225 CB GLU A 15 -2.591 5.238 -1.656 1.00 0.00 C ATOM 226 CG GLU A 15 -3.667 4.986 -0.639 1.00 0.00 C ATOM 227 CD GLU A 15 -3.863 6.192 0.236 1.00 0.00 C ATOM 228 OE1 GLU A 15 -4.629 7.100 -0.161 1.00 0.00 O ATOM 229 OE2 GLU A 15 -3.225 6.270 1.294 1.00 0.00 O ATOM 0 H GLU A 15 -4.662 4.060 -2.720 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.028 4.845 -3.620 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.623 5.158 -1.162 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.684 6.264 -2.011 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.601 4.741 -1.144 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.401 4.125 -0.026 1.00 0.00 H new ATOM 236 N LEU A 16 -2.633 1.946 -2.325 1.00 0.00 N ATOM 237 CA LEU A 16 -2.033 0.625 -2.237 1.00 0.00 C ATOM 238 C LEU A 16 -1.298 0.340 -3.525 1.00 0.00 C ATOM 239 O LEU A 16 -0.150 -0.068 -3.516 1.00 0.00 O ATOM 240 CB LEU A 16 -3.090 -0.463 -2.013 1.00 0.00 C ATOM 241 CG LEU A 16 -2.571 -1.904 -2.094 1.00 0.00 C ATOM 242 CD1 LEU A 16 -1.649 -2.217 -0.927 1.00 0.00 C ATOM 243 CD2 LEU A 16 -3.724 -2.890 -2.157 1.00 0.00 C ATOM 0 H LEU A 16 -3.638 1.976 -2.151 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.351 0.613 -1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.542 -0.311 -1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.881 -0.336 -2.752 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.992 -2.003 -3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.295 -3.245 -1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.797 -1.537 -0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.193 -2.094 0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.332 -3.905 -2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.339 -2.788 -1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.330 -2.685 -3.039 1.00 0.00 H new ATOM 255 N THR A 17 -1.975 0.588 -4.634 1.00 0.00 N ATOM 256 CA THR A 17 -1.384 0.369 -5.941 1.00 0.00 C ATOM 257 C THR A 17 -0.194 1.312 -6.188 1.00 0.00 C ATOM 258 O THR A 17 0.890 0.866 -6.568 1.00 0.00 O ATOM 259 CB THR A 17 -2.419 0.522 -7.069 1.00 0.00 C ATOM 260 OG1 THR A 17 -3.479 -0.427 -6.880 1.00 0.00 O ATOM 261 CG2 THR A 17 -1.780 0.299 -8.436 1.00 0.00 C ATOM 0 H THR A 17 -2.932 0.940 -4.654 1.00 0.00 H new ATOM 0 HA THR A 17 -1.019 -0.658 -5.949 1.00 0.00 H new ATOM 0 HB THR A 17 -2.814 1.537 -7.034 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.081 -0.109 -6.175 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.535 0.413 -9.214 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.986 1.030 -8.590 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.361 -0.706 -8.482 1.00 0.00 H new ATOM 269 N GLY A 18 -0.401 2.606 -5.951 1.00 0.00 N ATOM 270 CA GLY A 18 0.642 3.587 -6.170 1.00 0.00 C ATOM 271 C GLY A 18 1.857 3.348 -5.314 1.00 0.00 C ATOM 272 O GLY A 18 2.983 3.600 -5.742 1.00 0.00 O ATOM 0 H GLY A 18 -1.281 2.992 -5.608 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.934 3.572 -7.220 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.248 4.582 -5.963 1.00 0.00 H new ATOM 276 N GLN A 19 1.640 2.832 -4.114 1.00 0.00 N ATOM 277 CA GLN A 19 2.727 2.579 -3.211 1.00 0.00 C ATOM 278 C GLN A 19 3.319 1.209 -3.469 1.00 0.00 C ATOM 279 O GLN A 19 4.474 0.973 -3.182 1.00 0.00 O ATOM 280 CB GLN A 19 2.300 2.741 -1.753 1.00 0.00 C ATOM 281 CG GLN A 19 1.892 4.168 -1.395 1.00 0.00 C ATOM 282 CD GLN A 19 1.495 4.319 0.059 1.00 0.00 C ATOM 283 OE1 GLN A 19 1.014 3.387 0.678 1.00 0.00 O ATOM 284 NE2 GLN A 19 1.690 5.501 0.606 1.00 0.00 N ATOM 0 H GLN A 19 0.719 2.584 -3.753 1.00 0.00 H new ATOM 0 HA GLN A 19 3.500 3.324 -3.397 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.465 2.071 -1.550 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.121 2.433 -1.105 1.00 0.00 H new ATOM 0 HG2 GLN A 19 2.720 4.843 -1.613 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.058 4.472 -2.028 1.00 0.00 H new ATOM 0 HE21 GLN A 19 2.096 6.257 0.055 1.00 0.00 H new ATOM 0 HE22 GLN A 19 1.435 5.660 1.581 1.00 0.00 H new ATOM 293 N MET A 20 2.506 0.301 -3.994 1.00 0.00 N ATOM 294 CA MET A 20 2.985 -1.015 -4.409 1.00 0.00 C ATOM 295 C MET A 20 3.945 -0.842 -5.566 1.00 0.00 C ATOM 296 O MET A 20 4.974 -1.512 -5.660 1.00 0.00 O ATOM 297 CB MET A 20 1.803 -1.904 -4.816 1.00 0.00 C ATOM 298 CG MET A 20 2.182 -3.321 -5.208 1.00 0.00 C ATOM 299 SD MET A 20 0.741 -4.347 -5.576 1.00 0.00 S ATOM 300 CE MET A 20 -0.078 -4.378 -3.981 1.00 0.00 C ATOM 0 H MET A 20 1.508 0.451 -4.144 1.00 0.00 H new ATOM 0 HA MET A 20 3.501 -1.499 -3.580 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.096 -1.947 -3.988 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.285 -1.436 -5.653 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.835 -3.291 -6.081 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.752 -3.778 -4.399 1.00 0.00 H new ATOM 0 HE1 MET A 20 -0.345 -5.404 -3.729 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.593 -3.981 -3.220 1.00 0.00 H new ATOM 0 HE3 MET A 20 -0.980 -3.768 -4.023 1.00 0.00 H new ATOM 310 N ARG A 21 3.598 0.088 -6.428 1.00 0.00 N ATOM 311 CA ARG A 21 4.442 0.444 -7.554 1.00 0.00 C ATOM 312 C ARG A 21 5.648 1.221 -7.054 1.00 0.00 C ATOM 313 O ARG A 21 6.782 0.940 -7.437 1.00 0.00 O ATOM 314 CB ARG A 21 3.666 1.258 -8.590 1.00 0.00 C ATOM 315 CG ARG A 21 2.575 0.465 -9.287 1.00 0.00 C ATOM 316 CD ARG A 21 1.897 1.281 -10.369 1.00 0.00 C ATOM 317 NE ARG A 21 2.837 1.706 -11.413 1.00 0.00 N ATOM 318 CZ ARG A 21 2.472 2.305 -12.549 1.00 0.00 C ATOM 319 NH1 ARG A 21 1.187 2.536 -12.799 1.00 0.00 N ATOM 320 NH2 ARG A 21 3.390 2.674 -13.432 1.00 0.00 N ATOM 0 H ARG A 21 2.728 0.618 -6.372 1.00 0.00 H new ATOM 0 HA ARG A 21 4.780 -0.470 -8.043 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.219 2.123 -8.101 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.362 1.639 -9.338 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.003 -0.437 -9.725 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.834 0.143 -8.555 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.098 0.692 -10.819 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.432 2.159 -9.922 1.00 0.00 H new ATOM 0 HE ARG A 21 3.831 1.533 -11.261 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.477 2.255 -12.122 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.911 2.994 -13.668 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.377 2.500 -13.244 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.109 3.131 -14.299 1.00 0.00 H new ATOM 334 N GLU A 22 5.386 2.212 -6.199 1.00 0.00 N ATOM 335 CA GLU A 22 6.449 2.990 -5.559 1.00 0.00 C ATOM 336 C GLU A 22 7.453 2.060 -4.894 1.00 0.00 C ATOM 337 O GLU A 22 8.660 2.208 -5.061 1.00 0.00 O ATOM 338 CB GLU A 22 5.853 3.935 -4.512 1.00 0.00 C ATOM 339 CG GLU A 22 6.835 4.950 -3.954 1.00 0.00 C ATOM 340 CD GLU A 22 7.385 5.869 -5.018 1.00 0.00 C ATOM 341 OE1 GLU A 22 6.578 6.493 -5.747 1.00 0.00 O ATOM 342 OE2 GLU A 22 8.617 5.985 -5.129 1.00 0.00 O ATOM 0 H GLU A 22 4.443 2.495 -5.933 1.00 0.00 H new ATOM 0 HA GLU A 22 6.958 3.577 -6.323 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.012 4.467 -4.957 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.455 3.342 -3.689 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.341 5.544 -3.186 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.659 4.425 -3.470 1.00 0.00 H new ATOM 349 N ALA A 23 6.934 1.090 -4.151 1.00 0.00 N ATOM 350 CA ALA A 23 7.765 0.111 -3.460 1.00 0.00 C ATOM 351 C ALA A 23 8.652 -0.648 -4.435 1.00 0.00 C ATOM 352 O ALA A 23 9.827 -0.883 -4.154 1.00 0.00 O ATOM 353 CB ALA A 23 6.906 -0.858 -2.665 1.00 0.00 C ATOM 0 H ALA A 23 5.932 0.960 -4.011 1.00 0.00 H new ATOM 0 HA ALA A 23 8.410 0.654 -2.769 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.546 -1.580 -2.158 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.324 -0.307 -1.926 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.231 -1.384 -3.340 1.00 0.00 H new ATOM 359 N GLU A 24 8.092 -1.025 -5.581 1.00 0.00 N ATOM 360 CA GLU A 24 8.864 -1.726 -6.602 1.00 0.00 C ATOM 361 C GLU A 24 9.972 -0.821 -7.132 1.00 0.00 C ATOM 362 O GLU A 24 11.121 -1.243 -7.285 1.00 0.00 O ATOM 363 CB GLU A 24 7.966 -2.181 -7.755 1.00 0.00 C ATOM 364 CG GLU A 24 8.723 -2.898 -8.865 1.00 0.00 C ATOM 365 CD GLU A 24 7.850 -3.255 -10.041 1.00 0.00 C ATOM 366 OE1 GLU A 24 7.326 -4.384 -10.074 1.00 0.00 O ATOM 367 OE2 GLU A 24 7.696 -2.413 -10.950 1.00 0.00 O ATOM 0 H GLU A 24 7.116 -0.859 -5.825 1.00 0.00 H new ATOM 0 HA GLU A 24 9.308 -2.611 -6.145 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.194 -2.844 -7.365 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.458 -1.313 -8.174 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.541 -2.264 -9.207 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.170 -3.807 -8.463 1.00 0.00 H new ATOM 374 N ARG A 25 9.618 0.432 -7.393 1.00 0.00 N ATOM 375 CA ARG A 25 10.569 1.418 -7.886 1.00 0.00 C ATOM 376 C ARG A 25 11.703 1.624 -6.891 1.00 0.00 C ATOM 377 O ARG A 25 12.872 1.716 -7.278 1.00 0.00 O ATOM 378 CB ARG A 25 9.867 2.748 -8.173 1.00 0.00 C ATOM 379 CG ARG A 25 8.939 2.711 -9.378 1.00 0.00 C ATOM 380 CD ARG A 25 9.709 2.454 -10.665 1.00 0.00 C ATOM 381 NE ARG A 25 8.839 2.463 -11.839 1.00 0.00 N ATOM 382 CZ ARG A 25 9.275 2.490 -13.101 1.00 0.00 C ATOM 383 NH1 ARG A 25 10.578 2.507 -13.361 1.00 0.00 N ATOM 384 NH2 ARG A 25 8.404 2.498 -14.098 1.00 0.00 N ATOM 0 H ARG A 25 8.671 0.790 -7.270 1.00 0.00 H new ATOM 0 HA ARG A 25 10.993 1.040 -8.816 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.293 3.041 -7.294 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.622 3.518 -8.332 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.190 1.931 -9.238 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.403 3.657 -9.456 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.482 3.213 -10.782 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.216 1.491 -10.597 1.00 0.00 H new ATOM 0 HE ARG A 25 7.831 2.448 -11.684 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.251 2.499 -12.595 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.905 2.528 -14.327 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.403 2.484 -13.901 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.734 2.519 -15.063 1.00 0.00 H new ATOM 398 N GLN A 26 11.358 1.682 -5.614 1.00 0.00 N ATOM 399 CA GLN A 26 12.348 1.851 -4.561 1.00 0.00 C ATOM 400 C GLN A 26 13.257 0.636 -4.483 1.00 0.00 C ATOM 401 O GLN A 26 14.481 0.769 -4.441 1.00 0.00 O ATOM 402 CB GLN A 26 11.672 2.104 -3.213 1.00 0.00 C ATOM 403 CG GLN A 26 10.878 3.399 -3.163 1.00 0.00 C ATOM 404 CD GLN A 26 11.740 4.625 -3.400 1.00 0.00 C ATOM 405 OE1 GLN A 26 12.925 4.650 -3.047 1.00 0.00 O ATOM 406 NE2 GLN A 26 11.162 5.642 -4.008 1.00 0.00 N ATOM 0 H GLN A 26 10.396 1.614 -5.281 1.00 0.00 H new ATOM 0 HA GLN A 26 12.957 2.722 -4.804 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.006 1.271 -2.988 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.433 2.124 -2.433 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.088 3.365 -3.913 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.391 3.485 -2.191 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.182 5.581 -4.283 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.695 6.489 -4.203 1.00 0.00 H new ATOM 415 N GLN A 27 12.657 -0.557 -4.482 1.00 0.00 N ATOM 416 CA GLN A 27 13.430 -1.794 -4.444 1.00 0.00 C ATOM 417 C GLN A 27 14.349 -1.887 -5.650 1.00 0.00 C ATOM 418 O GLN A 27 15.476 -2.365 -5.542 1.00 0.00 O ATOM 419 CB GLN A 27 12.518 -3.023 -4.377 1.00 0.00 C ATOM 420 CG GLN A 27 11.820 -3.202 -3.039 1.00 0.00 C ATOM 421 CD GLN A 27 11.042 -4.503 -2.954 1.00 0.00 C ATOM 422 OE1 GLN A 27 10.527 -5.006 -3.956 1.00 0.00 O ATOM 423 NE2 GLN A 27 10.955 -5.057 -1.761 1.00 0.00 N ATOM 0 H GLN A 27 11.646 -0.689 -4.507 1.00 0.00 H new ATOM 0 HA GLN A 27 14.037 -1.776 -3.539 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.765 -2.947 -5.161 1.00 0.00 H new ATOM 0 HB3 GLN A 27 13.109 -3.914 -4.589 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.561 -3.174 -2.240 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.141 -2.366 -2.873 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.395 -4.609 -0.957 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.448 -5.934 -1.642 1.00 0.00 H new ATOM 432 N ARG A 28 13.864 -1.420 -6.797 1.00 0.00 N ATOM 433 CA ARG A 28 14.650 -1.407 -8.023 1.00 0.00 C ATOM 434 C ARG A 28 15.929 -0.587 -7.828 1.00 0.00 C ATOM 435 O ARG A 28 17.032 -1.072 -8.082 1.00 0.00 O ATOM 436 CB ARG A 28 13.820 -0.829 -9.179 1.00 0.00 C ATOM 437 CG ARG A 28 14.541 -0.795 -10.521 1.00 0.00 C ATOM 438 CD ARG A 28 14.803 -2.195 -11.057 1.00 0.00 C ATOM 439 NE ARG A 28 15.520 -2.160 -12.331 1.00 0.00 N ATOM 440 CZ ARG A 28 15.561 -3.167 -13.206 1.00 0.00 C ATOM 441 NH1 ARG A 28 14.912 -4.298 -12.961 1.00 0.00 N ATOM 442 NH2 ARG A 28 16.252 -3.035 -14.329 1.00 0.00 N ATOM 0 H ARG A 28 12.922 -1.043 -6.901 1.00 0.00 H new ATOM 0 HA ARG A 28 14.928 -2.432 -8.269 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.909 -1.418 -9.285 1.00 0.00 H new ATOM 0 HB3 ARG A 28 13.515 0.185 -8.919 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.943 -0.236 -11.241 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.487 -0.264 -10.412 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.383 -2.761 -10.328 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.856 -2.718 -11.187 1.00 0.00 H new ATOM 0 HE ARG A 28 16.024 -1.306 -12.568 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.377 -4.402 -12.099 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.948 -5.063 -13.635 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.750 -2.166 -14.522 1.00 0.00 H new ATOM 0 HH22 ARG A 28 16.286 -3.802 -15.000 1.00 0.00 H new ATOM 456 N GLU A 29 15.769 0.645 -7.355 1.00 0.00 N ATOM 457 CA GLU A 29 16.905 1.537 -7.115 1.00 0.00 C ATOM 458 C GLU A 29 17.875 0.925 -6.109 1.00 0.00 C ATOM 459 O GLU A 29 19.088 0.915 -6.321 1.00 0.00 O ATOM 460 CB GLU A 29 16.416 2.890 -6.604 1.00 0.00 C ATOM 461 CG GLU A 29 15.575 3.661 -7.604 1.00 0.00 C ATOM 462 CD GLU A 29 15.066 4.970 -7.044 1.00 0.00 C ATOM 463 OE1 GLU A 29 13.840 5.160 -6.988 1.00 0.00 O ATOM 464 OE2 GLU A 29 15.900 5.818 -6.647 1.00 0.00 O ATOM 0 H GLU A 29 14.862 1.052 -7.129 1.00 0.00 H new ATOM 0 HA GLU A 29 17.429 1.678 -8.060 1.00 0.00 H new ATOM 0 HB2 GLU A 29 15.832 2.735 -5.697 1.00 0.00 H new ATOM 0 HB3 GLU A 29 17.279 3.496 -6.327 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.168 3.858 -8.497 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.728 3.047 -7.912 1.00 0.00 H new ATOM 471 N ARG A 30 17.325 0.396 -5.030 1.00 0.00 N ATOM 472 CA ARG A 30 18.121 -0.213 -3.971 1.00 0.00 C ATOM 473 C ARG A 30 18.909 -1.415 -4.488 1.00 0.00 C ATOM 474 O ARG A 30 20.112 -1.521 -4.254 1.00 0.00 O ATOM 475 CB ARG A 30 17.222 -0.616 -2.810 1.00 0.00 C ATOM 476 CG ARG A 30 16.623 0.571 -2.075 1.00 0.00 C ATOM 477 CD ARG A 30 15.418 0.165 -1.252 1.00 0.00 C ATOM 478 NE ARG A 30 15.728 -0.879 -0.275 1.00 0.00 N ATOM 479 CZ ARG A 30 14.835 -1.768 0.170 1.00 0.00 C ATOM 480 NH1 ARG A 30 13.575 -1.708 -0.242 1.00 0.00 N ATOM 481 NH2 ARG A 30 15.195 -2.698 1.042 1.00 0.00 N ATOM 0 H ARG A 30 16.319 0.375 -4.861 1.00 0.00 H new ATOM 0 HA ARG A 30 18.843 0.524 -3.619 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.416 -1.247 -3.185 1.00 0.00 H new ATOM 0 HB3 ARG A 30 17.797 -1.218 -2.106 1.00 0.00 H new ATOM 0 HG2 ARG A 30 17.376 1.015 -1.424 1.00 0.00 H new ATOM 0 HG3 ARG A 30 16.332 1.336 -2.794 1.00 0.00 H new ATOM 0 HD2 ARG A 30 15.027 1.039 -0.732 1.00 0.00 H new ATOM 0 HD3 ARG A 30 14.631 -0.188 -1.918 1.00 0.00 H new ATOM 0 HE ARG A 30 16.680 -0.931 0.087 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.287 -0.983 -0.899 1.00 0.00 H new ATOM 0 HH12 ARG A 30 12.894 -2.387 0.098 1.00 0.00 H new ATOM 0 HH21 ARG A 30 16.158 -2.738 1.377 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.510 -3.374 1.379 1.00 0.00 H new ATOM 495 N SER A 31 18.227 -2.308 -5.201 1.00 0.00 N ATOM 496 CA SER A 31 18.864 -3.498 -5.773 1.00 0.00 C ATOM 497 C SER A 31 20.012 -3.125 -6.719 1.00 0.00 C ATOM 498 O SER A 31 20.945 -3.902 -6.910 1.00 0.00 O ATOM 499 CB SER A 31 17.831 -4.353 -6.505 1.00 0.00 C ATOM 500 OG SER A 31 16.780 -4.732 -5.632 1.00 0.00 O ATOM 0 H SER A 31 17.229 -2.232 -5.399 1.00 0.00 H new ATOM 0 HA SER A 31 19.286 -4.075 -4.950 1.00 0.00 H new ATOM 0 HB2 SER A 31 17.425 -3.797 -7.350 1.00 0.00 H new ATOM 0 HB3 SER A 31 18.311 -5.243 -6.911 1.00 0.00 H new ATOM 0 HG SER A 31 16.197 -3.962 -5.468 1.00 0.00 H new ATOM 506 N ASN A 32 19.935 -1.938 -7.306 1.00 0.00 N ATOM 507 CA ASN A 32 20.990 -1.460 -8.195 1.00 0.00 C ATOM 508 C ASN A 32 22.172 -0.949 -7.396 1.00 0.00 C ATOM 509 O ASN A 32 23.323 -1.186 -7.750 1.00 0.00 O ATOM 510 CB ASN A 32 20.479 -0.364 -9.135 1.00 0.00 C ATOM 511 CG ASN A 32 19.814 -0.918 -10.378 1.00 0.00 C ATOM 512 OD1 ASN A 32 20.467 -1.145 -11.393 1.00 0.00 O ATOM 513 ND2 ASN A 32 18.519 -1.137 -10.313 1.00 0.00 N ATOM 0 H ASN A 32 19.157 -1.289 -7.185 1.00 0.00 H new ATOM 0 HA ASN A 32 21.312 -2.305 -8.804 1.00 0.00 H new ATOM 0 HB2 ASN A 32 19.769 0.266 -8.599 1.00 0.00 H new ATOM 0 HB3 ASN A 32 21.313 0.274 -9.428 1.00 0.00 H new ATOM 0 HD21 ASN A 32 18.023 -1.508 -11.124 1.00 0.00 H new ATOM 0 HD22 ASN A 32 18.010 -0.936 -9.452 1.00 0.00 H new ATOM 862 N LEU A 56 -2.191 -9.218 -6.231 1.00 0.00 N ATOM 863 CA LEU A 56 -3.490 -9.052 -5.629 1.00 0.00 C ATOM 864 C LEU A 56 -4.439 -10.102 -6.178 1.00 0.00 C ATOM 865 O LEU A 56 -5.083 -9.904 -7.205 1.00 0.00 O ATOM 866 CB LEU A 56 -4.033 -7.647 -5.873 1.00 0.00 C ATOM 867 CG LEU A 56 -5.283 -7.270 -5.074 1.00 0.00 C ATOM 868 CD1 LEU A 56 -4.993 -7.314 -3.582 1.00 0.00 C ATOM 869 CD2 LEU A 56 -5.783 -5.892 -5.479 1.00 0.00 C ATOM 0 HA LEU A 56 -3.398 -9.183 -4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.247 -6.928 -5.642 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.258 -7.544 -6.935 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.065 -7.997 -5.296 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.892 -7.043 -3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.683 -8.321 -3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.196 -6.610 -3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.672 -5.643 -4.900 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.006 -5.152 -5.287 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.030 -5.892 -6.541 1.00 0.00 H new ATOM 881 N SER A 57 -4.486 -11.226 -5.505 1.00 0.00 N ATOM 882 CA SER A 57 -5.298 -12.335 -5.920 1.00 0.00 C ATOM 883 C SER A 57 -6.772 -12.055 -5.644 1.00 0.00 C ATOM 884 O SER A 57 -7.100 -11.273 -4.746 1.00 0.00 O ATOM 885 CB SER A 57 -4.838 -13.595 -5.190 1.00 0.00 C ATOM 886 OG SER A 57 -3.443 -13.792 -5.367 1.00 0.00 O ATOM 0 H SER A 57 -3.957 -11.394 -4.649 1.00 0.00 H new ATOM 0 HA SER A 57 -5.185 -12.483 -6.994 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.067 -13.511 -4.128 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.384 -14.460 -5.566 1.00 0.00 H new ATOM 0 HG SER A 57 -3.164 -14.602 -4.892 1.00 0.00 H new ATOM 892 N PRO A 58 -7.677 -12.678 -6.428 1.00 0.00 N ATOM 893 CA PRO A 58 -9.125 -12.506 -6.280 1.00 0.00 C ATOM 894 C PRO A 58 -9.598 -12.613 -4.840 1.00 0.00 C ATOM 895 O PRO A 58 -10.451 -11.841 -4.402 1.00 0.00 O ATOM 896 CB PRO A 58 -9.701 -13.648 -7.109 1.00 0.00 C ATOM 897 CG PRO A 58 -8.688 -13.886 -8.168 1.00 0.00 C ATOM 898 CD PRO A 58 -7.350 -13.585 -7.549 1.00 0.00 C ATOM 0 HA PRO A 58 -9.441 -11.513 -6.601 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.858 -14.540 -6.502 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.667 -13.380 -7.537 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.730 -14.916 -8.521 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.870 -13.245 -9.031 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -6.858 -14.492 -7.199 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -6.676 -13.112 -8.263 1.00 0.00 H new ATOM 906 N ILE A 59 -9.031 -13.548 -4.093 1.00 0.00 N ATOM 907 CA ILE A 59 -9.440 -13.749 -2.712 1.00 0.00 C ATOM 908 C ILE A 59 -8.951 -12.622 -1.821 1.00 0.00 C ATOM 909 O ILE A 59 -9.699 -12.126 -0.987 1.00 0.00 O ATOM 910 CB ILE A 59 -8.980 -15.124 -2.156 1.00 0.00 C ATOM 911 CG1 ILE A 59 -7.448 -15.281 -2.224 1.00 0.00 C ATOM 912 CG2 ILE A 59 -9.665 -16.232 -2.928 1.00 0.00 C ATOM 913 CD1 ILE A 59 -6.947 -16.625 -1.738 1.00 0.00 C ATOM 0 H ILE A 59 -8.293 -14.174 -4.416 1.00 0.00 H new ATOM 0 HA ILE A 59 -10.530 -13.743 -2.707 1.00 0.00 H new ATOM 0 HB ILE A 59 -9.263 -15.184 -1.105 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.123 -15.134 -3.254 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.985 -14.494 -1.628 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -9.344 -17.198 -2.540 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.745 -16.138 -2.818 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -9.400 -16.158 -3.983 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.860 -16.658 -1.817 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.240 -16.768 -0.698 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.380 -17.417 -2.349 1.00 0.00 H new ATOM 925 N GLU A 60 -7.699 -12.214 -2.012 1.00 0.00 N ATOM 926 CA GLU A 60 -7.131 -11.105 -1.268 1.00 0.00 C ATOM 927 C GLU A 60 -7.973 -9.871 -1.527 1.00 0.00 C ATOM 928 O GLU A 60 -8.342 -9.147 -0.610 1.00 0.00 O ATOM 929 CB GLU A 60 -5.680 -10.862 -1.707 1.00 0.00 C ATOM 930 CG GLU A 60 -4.888 -9.946 -0.782 1.00 0.00 C ATOM 931 CD GLU A 60 -4.538 -10.609 0.538 1.00 0.00 C ATOM 932 OE1 GLU A 60 -3.425 -11.169 0.649 1.00 0.00 O ATOM 933 OE2 GLU A 60 -5.367 -10.581 1.462 1.00 0.00 O ATOM 0 H GLU A 60 -7.059 -12.641 -2.681 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.129 -11.334 -0.202 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.168 -11.822 -1.774 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.683 -10.432 -2.709 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.971 -9.635 -1.283 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.467 -9.043 -0.588 1.00 0.00 H new ATOM 940 N ARG A 61 -8.302 -9.666 -2.791 1.00 0.00 N ATOM 941 CA ARG A 61 -9.146 -8.556 -3.203 1.00 0.00 C ATOM 942 C ARG A 61 -10.482 -8.593 -2.478 1.00 0.00 C ATOM 943 O ARG A 61 -10.875 -7.633 -1.832 1.00 0.00 O ATOM 944 CB ARG A 61 -9.374 -8.600 -4.724 1.00 0.00 C ATOM 945 CG ARG A 61 -10.520 -7.718 -5.204 1.00 0.00 C ATOM 946 CD ARG A 61 -10.271 -6.261 -4.880 1.00 0.00 C ATOM 947 NE ARG A 61 -11.469 -5.441 -5.069 1.00 0.00 N ATOM 948 CZ ARG A 61 -11.470 -4.182 -5.510 1.00 0.00 C ATOM 949 NH1 ARG A 61 -10.338 -3.607 -5.923 1.00 0.00 N ATOM 950 NH2 ARG A 61 -12.610 -3.510 -5.561 1.00 0.00 N ATOM 0 H ARG A 61 -7.993 -10.262 -3.559 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.638 -7.627 -2.943 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.457 -8.293 -5.228 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.572 -9.630 -5.022 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.645 -7.836 -6.280 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.450 -8.042 -4.737 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.931 -6.173 -3.848 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.469 -5.881 -5.513 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.370 -5.864 -4.847 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.463 -4.131 -5.903 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.348 -2.644 -6.259 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.478 -3.955 -5.264 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.620 -2.547 -5.897 1.00 0.00 H new ATOM 964 N LEU A 62 -11.157 -9.706 -2.605 1.00 0.00 N ATOM 965 CA LEU A 62 -12.472 -9.908 -2.005 1.00 0.00 C ATOM 966 C LEU A 62 -12.455 -9.709 -0.495 1.00 0.00 C ATOM 967 O LEU A 62 -13.306 -9.005 0.049 1.00 0.00 O ATOM 968 CB LEU A 62 -12.996 -11.302 -2.322 1.00 0.00 C ATOM 969 CG LEU A 62 -14.324 -11.655 -1.661 1.00 0.00 C ATOM 970 CD1 LEU A 62 -15.468 -10.881 -2.298 1.00 0.00 C ATOM 971 CD2 LEU A 62 -14.575 -13.151 -1.719 1.00 0.00 C ATOM 0 H LEU A 62 -10.816 -10.511 -3.130 1.00 0.00 H new ATOM 0 HA LEU A 62 -13.132 -9.156 -2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -13.109 -11.395 -3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -12.248 -12.034 -2.015 1.00 0.00 H new ATOM 0 HG LEU A 62 -14.269 -11.366 -0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.405 -11.149 -1.810 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.292 -9.811 -2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -15.528 -11.127 -3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -15.528 -13.379 -1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -14.604 -13.475 -2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -13.774 -13.675 -1.198 1.00 0.00 H new ATOM 983 N GLN A 63 -11.490 -10.322 0.178 1.00 0.00 N ATOM 984 CA GLN A 63 -11.408 -10.221 1.632 1.00 0.00 C ATOM 985 C GLN A 63 -11.235 -8.774 2.052 1.00 0.00 C ATOM 986 O GLN A 63 -11.898 -8.294 2.973 1.00 0.00 O ATOM 987 CB GLN A 63 -10.260 -11.065 2.178 1.00 0.00 C ATOM 988 CG GLN A 63 -10.444 -12.559 1.983 1.00 0.00 C ATOM 989 CD GLN A 63 -9.292 -13.355 2.551 1.00 0.00 C ATOM 990 OE1 GLN A 63 -8.661 -12.945 3.524 1.00 0.00 O ATOM 991 NE2 GLN A 63 -9.012 -14.495 1.958 1.00 0.00 N ATOM 0 H GLN A 63 -10.760 -10.889 -0.252 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.340 -10.603 2.048 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.334 -10.757 1.693 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -10.146 -10.859 3.242 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -11.372 -12.874 2.460 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -10.543 -12.775 0.919 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -9.560 -14.799 1.153 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -8.247 -15.075 2.303 1.00 0.00 H new ATOM 1000 N LEU A 64 -10.357 -8.086 1.353 1.00 0.00 N ATOM 1001 CA LEU A 64 -10.077 -6.694 1.622 1.00 0.00 C ATOM 1002 C LEU A 64 -11.265 -5.826 1.252 1.00 0.00 C ATOM 1003 O LEU A 64 -11.561 -4.844 1.935 1.00 0.00 O ATOM 1004 CB LEU A 64 -8.814 -6.236 0.874 1.00 0.00 C ATOM 1005 CG LEU A 64 -7.466 -6.465 1.594 1.00 0.00 C ATOM 1006 CD1 LEU A 64 -7.366 -5.591 2.824 1.00 0.00 C ATOM 1007 CD2 LEU A 64 -7.276 -7.926 1.975 1.00 0.00 C ATOM 0 H LEU A 64 -9.817 -8.478 0.581 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.896 -6.585 2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.780 -6.751 -0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.911 -5.171 0.661 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.673 -6.193 0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.410 -5.766 3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.437 -4.543 2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.178 -5.833 3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.317 -8.049 2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.080 -8.235 2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.295 -8.542 1.076 1.00 0.00 H new ATOM 1019 N GLU A 65 -11.953 -6.191 0.173 1.00 0.00 N ATOM 1020 CA GLU A 65 -13.111 -5.454 -0.277 1.00 0.00 C ATOM 1021 C GLU A 65 -14.202 -5.531 0.751 1.00 0.00 C ATOM 1022 O GLU A 65 -14.825 -4.526 1.090 1.00 0.00 O ATOM 1023 CB GLU A 65 -13.588 -5.986 -1.638 1.00 0.00 C ATOM 1024 CG GLU A 65 -14.745 -5.212 -2.249 1.00 0.00 C ATOM 1025 CD GLU A 65 -15.099 -5.699 -3.638 1.00 0.00 C ATOM 1026 OE1 GLU A 65 -15.951 -6.599 -3.759 1.00 0.00 O ATOM 1027 OE2 GLU A 65 -14.522 -5.180 -4.626 1.00 0.00 O ATOM 0 H GLU A 65 -11.719 -7.000 -0.403 1.00 0.00 H new ATOM 0 HA GLU A 65 -12.839 -4.406 -0.405 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.749 -5.970 -2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -13.886 -7.028 -1.522 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -15.618 -5.300 -1.603 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -14.487 -4.154 -2.293 1.00 0.00 H new ATOM 1034 N ASP A 66 -14.397 -6.720 1.270 1.00 0.00 N ATOM 1035 CA ASP A 66 -15.384 -6.960 2.305 1.00 0.00 C ATOM 1036 C ASP A 66 -15.120 -6.064 3.507 1.00 0.00 C ATOM 1037 O ASP A 66 -16.046 -5.492 4.106 1.00 0.00 O ATOM 1038 CB ASP A 66 -15.363 -8.435 2.724 1.00 0.00 C ATOM 1039 CG ASP A 66 -16.294 -8.734 3.879 1.00 0.00 C ATOM 1040 OD1 ASP A 66 -17.474 -9.053 3.633 1.00 0.00 O ATOM 1041 OD2 ASP A 66 -15.846 -8.664 5.050 1.00 0.00 O ATOM 0 H ASP A 66 -13.877 -7.551 0.989 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.371 -6.724 1.908 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.641 -9.054 1.871 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.347 -8.714 3.002 1.00 0.00 H new ATOM 1046 N VAL A 67 -13.849 -5.917 3.833 1.00 0.00 N ATOM 1047 CA VAL A 67 -13.446 -5.092 4.957 1.00 0.00 C ATOM 1048 C VAL A 67 -13.733 -3.618 4.702 1.00 0.00 C ATOM 1049 O VAL A 67 -14.243 -2.933 5.578 1.00 0.00 O ATOM 1050 CB VAL A 67 -11.948 -5.269 5.308 1.00 0.00 C ATOM 1051 CG1 VAL A 67 -11.572 -4.395 6.493 1.00 0.00 C ATOM 1052 CG2 VAL A 67 -11.634 -6.722 5.607 1.00 0.00 C ATOM 0 H VAL A 67 -13.077 -6.359 3.334 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.041 -5.430 5.806 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.358 -4.960 4.445 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.516 -4.532 6.726 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.757 -3.349 6.247 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.173 -4.676 7.358 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.576 -6.823 5.851 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.235 -7.058 6.452 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.865 -7.331 4.733 1.00 0.00 H new ATOM 1062 N CYS A 68 -13.444 -3.140 3.492 1.00 0.00 N ATOM 1063 CA CYS A 68 -13.628 -1.732 3.175 1.00 0.00 C ATOM 1064 C CYS A 68 -15.099 -1.389 3.162 1.00 0.00 C ATOM 1065 O CYS A 68 -15.498 -0.292 3.545 1.00 0.00 O ATOM 1066 CB CYS A 68 -12.996 -1.400 1.833 1.00 0.00 C ATOM 1067 SG CYS A 68 -11.257 -1.878 1.699 1.00 0.00 S ATOM 0 H CYS A 68 -13.084 -3.706 2.723 1.00 0.00 H new ATOM 0 HA CYS A 68 -13.136 -1.136 3.943 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -13.560 -1.898 1.044 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -13.082 -0.328 1.658 1.00 0.00 H new ATOM 0 HG CYS A 68 -11.168 -3.172 1.611 1.00 0.00 H new ATOM 1073 N VAL A 69 -15.902 -2.341 2.713 1.00 0.00 N ATOM 1074 CA VAL A 69 -17.345 -2.189 2.714 1.00 0.00 C ATOM 1075 C VAL A 69 -17.865 -1.978 4.146 1.00 0.00 C ATOM 1076 O VAL A 69 -18.841 -1.264 4.366 1.00 0.00 O ATOM 1077 CB VAL A 69 -18.038 -3.424 2.072 1.00 0.00 C ATOM 1078 CG1 VAL A 69 -19.544 -3.358 2.241 1.00 0.00 C ATOM 1079 CG2 VAL A 69 -17.682 -3.525 0.596 1.00 0.00 C ATOM 0 H VAL A 69 -15.574 -3.232 2.341 1.00 0.00 H new ATOM 0 HA VAL A 69 -17.588 -1.310 2.117 1.00 0.00 H new ATOM 0 HB VAL A 69 -17.677 -4.314 2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -20.000 -4.235 1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -19.790 -3.334 3.303 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -19.925 -2.457 1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -18.175 -4.395 0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -18.013 -2.624 0.079 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -16.602 -3.629 0.488 1.00 0.00 H new ATOM 1089 N LYS A 70 -17.192 -2.594 5.115 1.00 0.00 N ATOM 1090 CA LYS A 70 -17.587 -2.468 6.518 1.00 0.00 C ATOM 1091 C LYS A 70 -16.933 -1.264 7.209 1.00 0.00 C ATOM 1092 O LYS A 70 -17.152 -1.045 8.388 1.00 0.00 O ATOM 1093 CB LYS A 70 -17.236 -3.736 7.293 1.00 0.00 C ATOM 1094 CG LYS A 70 -18.023 -4.961 6.881 1.00 0.00 C ATOM 1095 CD LYS A 70 -17.685 -6.143 7.771 1.00 0.00 C ATOM 1096 CE LYS A 70 -18.518 -7.359 7.424 1.00 0.00 C ATOM 1097 NZ LYS A 70 -18.242 -7.849 6.053 1.00 0.00 N ATOM 0 H LYS A 70 -16.374 -3.183 4.957 1.00 0.00 H new ATOM 0 HA LYS A 70 -18.666 -2.314 6.519 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -16.173 -3.942 7.165 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -17.400 -3.555 8.355 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -19.091 -4.750 6.940 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -17.803 -5.208 5.842 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -16.627 -6.385 7.669 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.851 -5.873 8.814 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.314 -8.154 8.141 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -19.576 -7.112 7.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -18.728 -8.756 5.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -18.586 -7.154 5.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -17.218 -7.981 5.931 1.00 0.00 H new ATOM 1111 N ILE A 71 -16.165 -0.478 6.485 1.00 0.00 N ATOM 1112 CA ILE A 71 -15.471 0.643 7.099 1.00 0.00 C ATOM 1113 C ILE A 71 -16.236 1.934 6.904 1.00 0.00 C ATOM 1114 O ILE A 71 -16.714 2.228 5.810 1.00 0.00 O ATOM 1115 CB ILE A 71 -14.027 0.805 6.566 1.00 0.00 C ATOM 1116 CG1 ILE A 71 -13.196 -0.425 6.920 1.00 0.00 C ATOM 1117 CG2 ILE A 71 -13.372 2.070 7.128 1.00 0.00 C ATOM 1118 CD1 ILE A 71 -11.772 -0.360 6.430 1.00 0.00 C ATOM 0 H ILE A 71 -16.004 -0.588 5.484 1.00 0.00 H new ATOM 0 HA ILE A 71 -15.412 0.420 8.164 1.00 0.00 H new ATOM 0 HB ILE A 71 -14.072 0.902 5.481 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -13.192 -0.550 8.003 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -13.675 -1.309 6.499 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.358 2.159 6.737 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -13.953 2.943 6.832 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.338 2.009 8.216 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.246 -1.269 6.720 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -11.765 -0.267 5.344 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.274 0.504 6.871 1.00 0.00 H new ATOM 1130 N HIS A 72 -16.363 2.693 7.980 1.00 0.00 N ATOM 1131 CA HIS A 72 -17.043 3.981 7.947 1.00 0.00 C ATOM 1132 C HIS A 72 -16.369 4.918 6.957 1.00 0.00 C ATOM 1133 O HIS A 72 -15.138 5.030 6.935 1.00 0.00 O ATOM 1134 CB HIS A 72 -17.059 4.628 9.337 1.00 0.00 C ATOM 1135 CG HIS A 72 -17.899 3.907 10.344 1.00 0.00 C ATOM 1136 ND1 HIS A 72 -17.365 3.208 11.401 1.00 0.00 N ATOM 1137 CD2 HIS A 72 -19.245 3.794 10.462 1.00 0.00 C ATOM 1138 CE1 HIS A 72 -18.344 2.692 12.127 1.00 0.00 C ATOM 1139 NE2 HIS A 72 -19.491 3.034 11.579 1.00 0.00 N ATOM 0 H HIS A 72 -16.000 2.437 8.898 1.00 0.00 H new ATOM 0 HA HIS A 72 -18.071 3.805 7.629 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -16.036 4.686 9.709 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -17.423 5.651 9.244 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -19.985 4.221 9.801 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -18.223 2.093 13.017 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -20.414 2.776 11.928 1.00 0.00 H new ATOM 1147 N PRO A 73 -17.174 5.620 6.145 1.00 0.00 N ATOM 1148 CA PRO A 73 -16.679 6.513 5.099 1.00 0.00 C ATOM 1149 C PRO A 73 -15.621 7.508 5.583 1.00 0.00 C ATOM 1150 O PRO A 73 -14.565 7.639 4.962 1.00 0.00 O ATOM 1151 CB PRO A 73 -17.938 7.259 4.612 1.00 0.00 C ATOM 1152 CG PRO A 73 -19.011 6.921 5.596 1.00 0.00 C ATOM 1153 CD PRO A 73 -18.642 5.594 6.179 1.00 0.00 C ATOM 0 HA PRO A 73 -16.174 5.944 4.319 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.766 8.335 4.574 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -18.215 6.944 3.606 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -19.079 7.682 6.373 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.985 6.875 5.109 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -19.021 5.479 7.194 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.046 4.768 5.593 1.00 0.00 H new ATOM 1161 N SER A 74 -15.880 8.194 6.690 1.00 0.00 N ATOM 1162 CA SER A 74 -14.965 9.217 7.173 1.00 0.00 C ATOM 1163 C SER A 74 -13.737 8.612 7.871 1.00 0.00 C ATOM 1164 O SER A 74 -12.669 9.216 7.878 1.00 0.00 O ATOM 1165 CB SER A 74 -15.707 10.173 8.121 1.00 0.00 C ATOM 1166 OG SER A 74 -14.909 11.293 8.469 1.00 0.00 O ATOM 0 H SER A 74 -16.711 8.061 7.266 1.00 0.00 H new ATOM 0 HA SER A 74 -14.600 9.772 6.309 1.00 0.00 H new ATOM 0 HB2 SER A 74 -16.626 10.515 7.646 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.996 9.637 9.025 1.00 0.00 H new ATOM 0 HG SER A 74 -15.413 11.879 9.071 1.00 0.00 H new ATOM 1172 N TYR A 75 -13.883 7.415 8.436 1.00 0.00 N ATOM 1173 CA TYR A 75 -12.778 6.777 9.159 1.00 0.00 C ATOM 1174 C TYR A 75 -11.701 6.312 8.192 1.00 0.00 C ATOM 1175 O TYR A 75 -10.539 6.150 8.568 1.00 0.00 O ATOM 1176 CB TYR A 75 -13.276 5.611 10.018 1.00 0.00 C ATOM 1177 CG TYR A 75 -12.218 5.050 10.952 1.00 0.00 C ATOM 1178 CD1 TYR A 75 -11.840 5.740 12.097 1.00 0.00 C ATOM 1179 CD2 TYR A 75 -11.599 3.839 10.687 1.00 0.00 C ATOM 1180 CE1 TYR A 75 -10.876 5.236 12.951 1.00 0.00 C ATOM 1181 CE2 TYR A 75 -10.634 3.330 11.537 1.00 0.00 C ATOM 1182 CZ TYR A 75 -10.276 4.031 12.664 1.00 0.00 C ATOM 1183 OH TYR A 75 -9.319 3.518 13.514 1.00 0.00 O ATOM 0 H TYR A 75 -14.745 6.870 8.410 1.00 0.00 H new ATOM 0 HA TYR A 75 -12.343 7.520 9.827 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -14.130 5.944 10.608 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -13.631 4.814 9.364 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -12.307 6.687 12.324 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -11.874 3.284 9.803 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -10.596 5.785 13.838 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -10.163 2.384 11.316 1.00 0.00 H new ATOM 0 HH TYR A 75 -8.998 2.660 13.165 1.00 0.00 H new ATOM 1193 N CYS A 76 -12.101 6.099 6.949 1.00 0.00 N ATOM 1194 CA CYS A 76 -11.184 5.732 5.890 1.00 0.00 C ATOM 1195 C CYS A 76 -10.078 6.780 5.767 1.00 0.00 C ATOM 1196 O CYS A 76 -8.911 6.443 5.615 1.00 0.00 O ATOM 1197 CB CYS A 76 -11.951 5.595 4.564 1.00 0.00 C ATOM 1198 SG CYS A 76 -10.918 5.258 3.123 1.00 0.00 S ATOM 0 H CYS A 76 -13.073 6.177 6.649 1.00 0.00 H new ATOM 0 HA CYS A 76 -10.723 4.773 6.128 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -12.682 4.793 4.665 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -12.509 6.514 4.387 1.00 0.00 H new ATOM 0 HG CYS A 76 -10.637 6.375 2.520 1.00 0.00 H new ATOM 1204 N GLY A 77 -10.474 8.049 5.838 1.00 0.00 N ATOM 1205 CA GLY A 77 -9.527 9.168 5.778 1.00 0.00 C ATOM 1206 C GLY A 77 -8.314 8.978 6.681 1.00 0.00 C ATOM 1207 O GLY A 77 -7.190 8.859 6.185 1.00 0.00 O ATOM 0 H GLY A 77 -11.449 8.332 5.938 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.190 9.295 4.749 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.042 10.086 6.060 1.00 0.00 H new ATOM 1211 N PRO A 78 -8.505 8.976 8.019 1.00 0.00 N ATOM 1212 CA PRO A 78 -7.422 8.716 8.967 1.00 0.00 C ATOM 1213 C PRO A 78 -6.697 7.415 8.641 1.00 0.00 C ATOM 1214 O PRO A 78 -5.473 7.388 8.571 1.00 0.00 O ATOM 1215 CB PRO A 78 -8.145 8.603 10.311 1.00 0.00 C ATOM 1216 CG PRO A 78 -9.370 9.424 10.141 1.00 0.00 C ATOM 1217 CD PRO A 78 -9.774 9.268 8.704 1.00 0.00 C ATOM 0 HA PRO A 78 -6.658 9.493 8.950 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -8.390 7.567 10.544 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -7.527 8.976 11.128 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -10.163 9.086 10.808 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -9.176 10.469 10.381 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -10.494 8.460 8.575 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -10.239 10.175 8.317 1.00 0.00 H new ATOM 1225 N ALA A 79 -7.472 6.325 8.476 1.00 0.00 N ATOM 1226 CA ALA A 79 -6.914 5.017 8.096 1.00 0.00 C ATOM 1227 C ALA A 79 -5.915 5.137 6.940 1.00 0.00 C ATOM 1228 O ALA A 79 -4.866 4.486 6.944 1.00 0.00 O ATOM 1229 CB ALA A 79 -8.032 4.039 7.741 1.00 0.00 C ATOM 0 H ALA A 79 -8.484 6.327 8.600 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.370 4.631 8.958 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.600 3.078 7.463 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.687 3.907 8.602 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.608 4.433 6.904 1.00 0.00 H new ATOM 1235 N ILE A 80 -6.235 5.981 5.975 1.00 0.00 N ATOM 1236 CA ILE A 80 -5.362 6.207 4.835 1.00 0.00 C ATOM 1237 C ILE A 80 -4.038 6.852 5.263 1.00 0.00 C ATOM 1238 O ILE A 80 -2.953 6.366 4.935 1.00 0.00 O ATOM 1239 CB ILE A 80 -6.084 7.047 3.722 1.00 0.00 C ATOM 1240 CG1 ILE A 80 -6.547 6.138 2.585 1.00 0.00 C ATOM 1241 CG2 ILE A 80 -5.210 8.169 3.178 1.00 0.00 C ATOM 1242 CD1 ILE A 80 -7.455 5.023 3.027 1.00 0.00 C ATOM 0 H ILE A 80 -7.098 6.524 5.958 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.122 5.235 4.404 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.952 7.514 4.188 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.065 6.741 1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.672 5.709 2.097 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.758 8.718 2.412 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.942 8.847 3.988 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.304 7.746 2.744 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -7.740 4.422 2.163 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.935 4.395 3.750 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.349 5.443 3.488 1.00 0.00 H new ATOM 1254 N LEU A 81 -4.144 7.920 6.021 1.00 0.00 N ATOM 1255 CA LEU A 81 -2.979 8.645 6.515 1.00 0.00 C ATOM 1256 C LEU A 81 -2.160 7.775 7.456 1.00 0.00 C ATOM 1257 O LEU A 81 -0.946 7.948 7.591 1.00 0.00 O ATOM 1258 CB LEU A 81 -3.419 9.930 7.219 1.00 0.00 C ATOM 1259 CG LEU A 81 -4.215 10.911 6.356 1.00 0.00 C ATOM 1260 CD1 LEU A 81 -4.628 12.127 7.166 1.00 0.00 C ATOM 1261 CD2 LEU A 81 -3.404 11.329 5.139 1.00 0.00 C ATOM 0 H LEU A 81 -5.036 8.316 6.316 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.350 8.908 5.665 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.024 9.661 8.085 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.532 10.440 7.595 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.119 10.408 6.012 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.193 12.811 6.533 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.249 11.812 8.004 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.739 12.632 7.543 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.985 12.027 4.536 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.482 11.811 5.464 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.162 10.449 4.543 1.00 0.00 H new ATOM 1273 N ARG A 82 -2.831 6.835 8.088 1.00 0.00 N ATOM 1274 CA ARG A 82 -2.201 5.908 8.991 1.00 0.00 C ATOM 1275 C ARG A 82 -1.333 4.948 8.198 1.00 0.00 C ATOM 1276 O ARG A 82 -0.180 4.706 8.547 1.00 0.00 O ATOM 1277 CB ARG A 82 -3.272 5.134 9.774 1.00 0.00 C ATOM 1278 CG ARG A 82 -2.726 4.209 10.851 1.00 0.00 C ATOM 1279 CD ARG A 82 -2.045 4.991 11.962 1.00 0.00 C ATOM 1280 NE ARG A 82 -1.588 4.116 13.039 1.00 0.00 N ATOM 1281 CZ ARG A 82 -0.910 4.532 14.108 1.00 0.00 C ATOM 1282 NH1 ARG A 82 -0.602 5.818 14.249 1.00 0.00 N ATOM 1283 NH2 ARG A 82 -0.540 3.660 15.036 1.00 0.00 N ATOM 0 H ARG A 82 -3.836 6.696 7.986 1.00 0.00 H new ATOM 0 HA ARG A 82 -1.578 6.453 9.700 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.951 5.849 10.238 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.861 4.544 9.072 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -3.539 3.615 11.268 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.016 3.511 10.407 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -1.196 5.539 11.553 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -2.738 5.731 12.364 1.00 0.00 H new ATOM 0 HE ARG A 82 -1.802 3.121 12.968 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -0.885 6.491 13.537 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -0.083 6.131 15.069 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -0.774 2.673 14.931 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -0.021 3.976 15.855 1.00 0.00 H new ATOM 1297 N PHE A 83 -1.891 4.425 7.110 1.00 0.00 N ATOM 1298 CA PHE A 83 -1.174 3.498 6.255 1.00 0.00 C ATOM 1299 C PHE A 83 0.079 4.150 5.686 1.00 0.00 C ATOM 1300 O PHE A 83 1.165 3.566 5.702 1.00 0.00 O ATOM 1301 CB PHE A 83 -2.065 3.001 5.101 1.00 0.00 C ATOM 1302 CG PHE A 83 -1.403 1.932 4.300 1.00 0.00 C ATOM 1303 CD1 PHE A 83 -1.294 0.652 4.802 1.00 0.00 C ATOM 1304 CD2 PHE A 83 -0.865 2.210 3.059 1.00 0.00 C ATOM 1305 CE1 PHE A 83 -0.658 -0.330 4.084 1.00 0.00 C ATOM 1306 CE2 PHE A 83 -0.233 1.226 2.335 1.00 0.00 C ATOM 1307 CZ PHE A 83 -0.128 -0.042 2.851 1.00 0.00 C ATOM 0 H PHE A 83 -2.841 4.632 6.803 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.887 2.643 6.867 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -3.003 2.621 5.506 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.315 3.839 4.450 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.713 0.420 5.770 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.941 3.208 2.654 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.575 -1.328 4.489 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.180 1.450 1.363 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.373 -0.814 2.286 1.00 0.00 H new ATOM 1317 N ARG A 84 -0.081 5.376 5.214 1.00 0.00 N ATOM 1318 CA ARG A 84 1.009 6.117 4.598 1.00 0.00 C ATOM 1319 C ARG A 84 2.117 6.361 5.584 1.00 0.00 C ATOM 1320 O ARG A 84 3.292 6.109 5.293 1.00 0.00 O ATOM 1321 CB ARG A 84 0.519 7.455 4.052 1.00 0.00 C ATOM 1322 CG ARG A 84 -0.596 7.349 3.036 1.00 0.00 C ATOM 1323 CD ARG A 84 -1.041 8.724 2.581 1.00 0.00 C ATOM 1324 NE ARG A 84 -2.211 8.664 1.720 1.00 0.00 N ATOM 1325 CZ ARG A 84 -2.780 9.722 1.149 1.00 0.00 C ATOM 1326 NH1 ARG A 84 -2.275 10.938 1.339 1.00 0.00 N ATOM 1327 NH2 ARG A 84 -3.853 9.563 0.389 1.00 0.00 N ATOM 0 H ARG A 84 -0.965 5.884 5.246 1.00 0.00 H new ATOM 0 HA ARG A 84 1.389 5.512 3.775 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.177 8.069 4.885 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.360 7.977 3.596 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.258 6.769 2.178 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.440 6.814 3.470 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.264 9.339 3.453 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.224 9.211 2.048 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.624 7.748 1.542 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.449 11.061 1.924 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.714 11.747 0.899 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.241 8.631 0.243 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.291 10.373 -0.050 1.00 0.00 H new ATOM 1341 N GLN A 85 1.743 6.851 6.749 1.00 0.00 N ATOM 1342 CA GLN A 85 2.691 7.136 7.794 1.00 0.00 C ATOM 1343 C GLN A 85 3.468 5.884 8.159 1.00 0.00 C ATOM 1344 O GLN A 85 4.687 5.922 8.290 1.00 0.00 O ATOM 1345 CB GLN A 85 1.969 7.687 9.030 1.00 0.00 C ATOM 1346 CG GLN A 85 2.887 8.042 10.195 1.00 0.00 C ATOM 1347 CD GLN A 85 3.853 9.165 9.869 1.00 0.00 C ATOM 1348 OE1 GLN A 85 4.966 8.931 9.406 1.00 0.00 O ATOM 1349 NE2 GLN A 85 3.435 10.388 10.113 1.00 0.00 N ATOM 0 H GLN A 85 0.775 7.060 6.992 1.00 0.00 H new ATOM 0 HA GLN A 85 3.391 7.888 7.431 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.409 8.577 8.741 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.242 6.949 9.369 1.00 0.00 H new ATOM 0 HG2 GLN A 85 2.280 8.330 11.053 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.453 7.157 10.487 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.503 10.541 10.498 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.043 11.183 9.917 1.00 0.00 H new ATOM 1358 N LEU A 86 2.770 4.762 8.276 1.00 0.00 N ATOM 1359 CA LEU A 86 3.429 3.530 8.706 1.00 0.00 C ATOM 1360 C LEU A 86 4.377 2.991 7.657 1.00 0.00 C ATOM 1361 O LEU A 86 5.525 2.668 7.959 1.00 0.00 O ATOM 1362 CB LEU A 86 2.410 2.462 9.110 1.00 0.00 C ATOM 1363 CG LEU A 86 2.043 2.413 10.600 1.00 0.00 C ATOM 1364 CD1 LEU A 86 3.273 2.136 11.445 1.00 0.00 C ATOM 1365 CD2 LEU A 86 1.371 3.701 11.047 1.00 0.00 C ATOM 0 H LEU A 86 1.772 4.676 8.085 1.00 0.00 H new ATOM 0 HA LEU A 86 4.023 3.786 9.583 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.497 2.623 8.536 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.801 1.487 8.820 1.00 0.00 H new ATOM 0 HG LEU A 86 1.333 1.598 10.740 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.992 2.105 12.498 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.704 1.177 11.156 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.007 2.926 11.289 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.124 3.634 12.107 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.048 4.540 10.885 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.459 3.854 10.471 1.00 0.00 H new ATOM 1377 N LEU A 87 3.899 2.916 6.433 1.00 0.00 N ATOM 1378 CA LEU A 87 4.681 2.402 5.313 1.00 0.00 C ATOM 1379 C LEU A 87 5.992 3.143 5.186 1.00 0.00 C ATOM 1380 O LEU A 87 7.036 2.563 4.912 1.00 0.00 O ATOM 1381 CB LEU A 87 3.859 2.521 4.018 1.00 0.00 C ATOM 1382 CG LEU A 87 4.586 2.186 2.715 1.00 0.00 C ATOM 1383 CD1 LEU A 87 3.621 1.559 1.730 1.00 0.00 C ATOM 1384 CD2 LEU A 87 5.204 3.439 2.097 1.00 0.00 C ATOM 0 H LEU A 87 2.955 3.209 6.179 1.00 0.00 H new ATOM 0 HA LEU A 87 4.912 1.352 5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.992 1.866 4.103 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.482 3.541 3.946 1.00 0.00 H new ATOM 0 HG LEU A 87 5.385 1.480 2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.147 1.324 0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.209 0.644 2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.811 2.257 1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.715 3.174 1.171 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.419 4.164 1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.919 3.874 2.795 1.00 0.00 H new ATOM 1396 N ALA A 88 5.914 4.409 5.407 1.00 0.00 N ATOM 1397 CA ALA A 88 7.038 5.293 5.297 1.00 0.00 C ATOM 1398 C ALA A 88 7.996 5.126 6.451 1.00 0.00 C ATOM 1399 O ALA A 88 9.205 5.295 6.293 1.00 0.00 O ATOM 1400 CB ALA A 88 6.559 6.724 5.210 1.00 0.00 C ATOM 0 H ALA A 88 5.049 4.877 5.676 1.00 0.00 H new ATOM 0 HA ALA A 88 7.579 5.038 4.386 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.417 7.391 5.127 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.922 6.842 4.334 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.992 6.973 6.107 1.00 0.00 H new ATOM 1406 N GLU A 89 7.469 4.776 7.599 1.00 0.00 N ATOM 1407 CA GLU A 89 8.304 4.621 8.778 1.00 0.00 C ATOM 1408 C GLU A 89 8.992 3.288 8.775 1.00 0.00 C ATOM 1409 O GLU A 89 10.134 3.164 9.222 1.00 0.00 O ATOM 1410 CB GLU A 89 7.516 4.803 10.070 1.00 0.00 C ATOM 1411 CG GLU A 89 7.024 6.216 10.296 1.00 0.00 C ATOM 1412 CD GLU A 89 6.532 6.432 11.704 1.00 0.00 C ATOM 1413 OE1 GLU A 89 5.574 5.761 12.113 1.00 0.00 O ATOM 1414 OE2 GLU A 89 7.112 7.282 12.417 1.00 0.00 O ATOM 0 H GLU A 89 6.477 4.593 7.748 1.00 0.00 H new ATOM 0 HA GLU A 89 9.056 5.409 8.737 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.660 4.128 10.060 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.144 4.509 10.911 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.831 6.918 10.084 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.219 6.435 9.595 1.00 0.00 H new ATOM 1421 N GLN A 90 8.303 2.284 8.293 1.00 0.00 N ATOM 1422 CA GLN A 90 8.885 0.954 8.227 1.00 0.00 C ATOM 1423 C GLN A 90 9.650 0.735 6.932 1.00 0.00 C ATOM 1424 O GLN A 90 10.178 -0.360 6.699 1.00 0.00 O ATOM 1425 CB GLN A 90 7.825 -0.124 8.441 1.00 0.00 C ATOM 1426 CG GLN A 90 6.773 -0.213 7.353 1.00 0.00 C ATOM 1427 CD GLN A 90 5.413 -0.566 7.916 1.00 0.00 C ATOM 1428 OE1 GLN A 90 4.644 -1.293 7.302 1.00 0.00 O ATOM 1429 NE2 GLN A 90 5.088 -0.008 9.069 1.00 0.00 N ATOM 0 H GLN A 90 7.348 2.354 7.942 1.00 0.00 H new ATOM 0 HA GLN A 90 9.607 0.875 9.040 1.00 0.00 H new ATOM 0 HB2 GLN A 90 8.323 -1.090 8.524 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.327 0.061 9.393 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.713 0.739 6.826 1.00 0.00 H new ATOM 0 HG3 GLN A 90 7.070 -0.964 6.621 1.00 0.00 H new ATOM 0 HE21 GLN A 90 5.757 0.593 9.551 1.00 0.00 H new ATOM 0 HE22 GLN A 90 4.169 -0.178 9.477 1.00 0.00 H new ATOM 1438 N GLU A 91 9.700 1.792 6.091 1.00 0.00 N ATOM 1439 CA GLU A 91 10.470 1.784 4.832 1.00 0.00 C ATOM 1440 C GLU A 91 9.733 1.007 3.740 1.00 0.00 C ATOM 1441 O GLU A 91 9.261 -0.108 3.974 1.00 0.00 O ATOM 1442 CB GLU A 91 11.888 1.198 5.066 1.00 0.00 C ATOM 1443 CG GLU A 91 12.801 1.184 3.844 1.00 0.00 C ATOM 1444 CD GLU A 91 13.228 2.566 3.409 1.00 0.00 C ATOM 1445 OE1 GLU A 91 13.648 3.367 4.273 1.00 0.00 O ATOM 1446 OE2 GLU A 91 13.169 2.858 2.200 1.00 0.00 O ATOM 0 H GLU A 91 9.210 2.669 6.267 1.00 0.00 H new ATOM 0 HA GLU A 91 10.575 2.814 4.493 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.374 1.772 5.855 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.784 0.177 5.433 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.687 0.589 4.066 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.286 0.692 3.019 1.00 0.00 H new ATOM 1453 N PRO A 92 9.586 1.617 2.538 1.00 0.00 N ATOM 1454 CA PRO A 92 8.947 0.973 1.396 1.00 0.00 C ATOM 1455 C PRO A 92 9.452 -0.452 1.180 1.00 0.00 C ATOM 1456 O PRO A 92 10.657 -0.697 1.115 1.00 0.00 O ATOM 1457 CB PRO A 92 9.329 1.867 0.221 1.00 0.00 C ATOM 1458 CG PRO A 92 9.494 3.218 0.824 1.00 0.00 C ATOM 1459 CD PRO A 92 10.011 2.995 2.222 1.00 0.00 C ATOM 0 HA PRO A 92 7.870 0.873 1.532 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.250 1.528 -0.253 1.00 0.00 H new ATOM 0 HB3 PRO A 92 8.556 1.866 -0.547 1.00 0.00 H new ATOM 0 HG2 PRO A 92 10.192 3.821 0.243 1.00 0.00 H new ATOM 0 HG3 PRO A 92 8.546 3.755 0.841 1.00 0.00 H new ATOM 0 HD2 PRO A 92 11.095 3.100 2.269 1.00 0.00 H new ATOM 0 HD3 PRO A 92 9.590 3.715 2.924 1.00 0.00 H new ATOM 1467 N GLU A 93 8.505 -1.354 1.015 1.00 0.00 N ATOM 1468 CA GLU A 93 8.744 -2.779 0.884 1.00 0.00 C ATOM 1469 C GLU A 93 7.458 -3.418 0.435 1.00 0.00 C ATOM 1470 O GLU A 93 6.554 -3.575 1.216 1.00 0.00 O ATOM 1471 CB GLU A 93 9.198 -3.403 2.220 1.00 0.00 C ATOM 1472 CG GLU A 93 10.705 -3.426 2.425 1.00 0.00 C ATOM 1473 CD GLU A 93 11.411 -4.232 1.359 1.00 0.00 C ATOM 1474 OE1 GLU A 93 11.448 -5.469 1.476 1.00 0.00 O ATOM 1475 OE2 GLU A 93 11.912 -3.634 0.388 1.00 0.00 O ATOM 0 H GLU A 93 7.516 -1.108 0.967 1.00 0.00 H new ATOM 0 HA GLU A 93 9.542 -2.947 0.160 1.00 0.00 H new ATOM 0 HB2 GLU A 93 8.741 -2.848 3.039 1.00 0.00 H new ATOM 0 HB3 GLU A 93 8.821 -4.424 2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.087 -2.405 2.420 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.931 -3.846 3.405 1.00 0.00 H new ATOM 1482 N VAL A 94 7.381 -3.741 -0.835 1.00 0.00 N ATOM 1483 CA VAL A 94 6.166 -4.290 -1.449 1.00 0.00 C ATOM 1484 C VAL A 94 5.564 -5.444 -0.649 1.00 0.00 C ATOM 1485 O VAL A 94 4.344 -5.550 -0.521 1.00 0.00 O ATOM 1486 CB VAL A 94 6.423 -4.716 -2.912 1.00 0.00 C ATOM 1487 CG1 VAL A 94 7.193 -6.030 -3.011 1.00 0.00 C ATOM 1488 CG2 VAL A 94 5.127 -4.766 -3.690 1.00 0.00 C ATOM 0 H VAL A 94 8.158 -3.634 -1.487 1.00 0.00 H new ATOM 0 HA VAL A 94 5.431 -3.485 -1.443 1.00 0.00 H new ATOM 0 HB VAL A 94 7.061 -3.956 -3.364 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.347 -6.283 -4.060 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.159 -5.924 -2.518 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.624 -6.823 -2.526 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.331 -5.068 -4.717 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.452 -5.486 -3.227 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.663 -3.780 -3.687 1.00 0.00 H new ATOM 1498 N GLN A 95 6.413 -6.277 -0.094 1.00 0.00 N ATOM 1499 CA GLN A 95 5.951 -7.400 0.713 1.00 0.00 C ATOM 1500 C GLN A 95 5.338 -6.880 2.007 1.00 0.00 C ATOM 1501 O GLN A 95 4.354 -7.417 2.501 1.00 0.00 O ATOM 1502 CB GLN A 95 7.100 -8.375 1.034 1.00 0.00 C ATOM 1503 CG GLN A 95 8.012 -8.680 -0.149 1.00 0.00 C ATOM 1504 CD GLN A 95 9.369 -8.001 -0.026 1.00 0.00 C ATOM 1505 OE1 GLN A 95 10.368 -8.474 -0.562 1.00 0.00 O ATOM 1506 NE2 GLN A 95 9.414 -6.903 0.707 1.00 0.00 N ATOM 0 H GLN A 95 7.427 -6.205 -0.182 1.00 0.00 H new ATOM 0 HA GLN A 95 5.200 -7.944 0.140 1.00 0.00 H new ATOM 0 HB2 GLN A 95 7.700 -7.957 1.842 1.00 0.00 H new ATOM 0 HB3 GLN A 95 6.676 -9.310 1.402 1.00 0.00 H new ATOM 0 HG2 GLN A 95 8.154 -9.758 -0.226 1.00 0.00 H new ATOM 0 HG3 GLN A 95 7.528 -8.355 -1.070 1.00 0.00 H new ATOM 0 HE21 GLN A 95 8.562 -6.541 1.136 1.00 0.00 H new ATOM 0 HE22 GLN A 95 10.300 -6.417 0.844 1.00 0.00 H new ATOM 1515 N GLU A 96 5.898 -5.790 2.512 1.00 0.00 N ATOM 1516 CA GLU A 96 5.450 -5.205 3.750 1.00 0.00 C ATOM 1517 C GLU A 96 4.204 -4.393 3.499 1.00 0.00 C ATOM 1518 O GLU A 96 3.310 -4.345 4.326 1.00 0.00 O ATOM 1519 CB GLU A 96 6.544 -4.314 4.338 1.00 0.00 C ATOM 1520 CG GLU A 96 6.229 -3.785 5.720 1.00 0.00 C ATOM 1521 CD GLU A 96 6.167 -4.883 6.746 1.00 0.00 C ATOM 1522 OE1 GLU A 96 7.193 -5.129 7.414 1.00 0.00 O ATOM 1523 OE2 GLU A 96 5.106 -5.514 6.888 1.00 0.00 O ATOM 0 H GLU A 96 6.672 -5.294 2.071 1.00 0.00 H new ATOM 0 HA GLU A 96 5.227 -6.000 4.462 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.475 -4.879 4.380 1.00 0.00 H new ATOM 0 HB3 GLU A 96 6.712 -3.472 3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.988 -3.059 6.012 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.276 -3.257 5.697 1.00 0.00 H new ATOM 1530 N VAL A 97 4.162 -3.765 2.333 1.00 0.00 N ATOM 1531 CA VAL A 97 3.025 -2.960 1.933 1.00 0.00 C ATOM 1532 C VAL A 97 1.760 -3.778 2.040 1.00 0.00 C ATOM 1533 O VAL A 97 0.789 -3.365 2.660 1.00 0.00 O ATOM 1534 CB VAL A 97 3.169 -2.431 0.478 1.00 0.00 C ATOM 1535 CG1 VAL A 97 1.940 -1.632 0.064 1.00 0.00 C ATOM 1536 CG2 VAL A 97 4.420 -1.583 0.333 1.00 0.00 C ATOM 0 H VAL A 97 4.913 -3.801 1.643 1.00 0.00 H new ATOM 0 HA VAL A 97 2.980 -2.101 2.602 1.00 0.00 H new ATOM 0 HB VAL A 97 3.257 -3.294 -0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.066 -1.273 -0.958 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.057 -2.269 0.119 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.816 -0.781 0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.499 -1.224 -0.693 1.00 0.00 H new ATOM 0 HG22 VAL A 97 4.363 -0.732 1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 97 5.297 -2.183 0.576 1.00 0.00 H new ATOM 1546 N SER A 98 1.794 -4.951 1.446 1.00 0.00 N ATOM 1547 CA SER A 98 0.660 -5.842 1.458 1.00 0.00 C ATOM 1548 C SER A 98 0.342 -6.326 2.884 1.00 0.00 C ATOM 1549 O SER A 98 -0.818 -6.376 3.293 1.00 0.00 O ATOM 1550 CB SER A 98 0.900 -7.029 0.515 1.00 0.00 C ATOM 1551 OG SER A 98 -0.312 -7.687 0.206 1.00 0.00 O ATOM 0 H SER A 98 2.606 -5.311 0.944 1.00 0.00 H new ATOM 0 HA SER A 98 -0.208 -5.288 1.100 1.00 0.00 H new ATOM 0 HB2 SER A 98 1.371 -6.678 -0.403 1.00 0.00 H new ATOM 0 HB3 SER A 98 1.591 -7.732 0.979 1.00 0.00 H new ATOM 0 HG SER A 98 -0.132 -8.438 -0.397 1.00 0.00 H new ATOM 1557 N GLN A 99 1.381 -6.647 3.634 1.00 0.00 N ATOM 1558 CA GLN A 99 1.226 -7.130 5.015 1.00 0.00 C ATOM 1559 C GLN A 99 0.612 -6.061 5.893 1.00 0.00 C ATOM 1560 O GLN A 99 -0.276 -6.331 6.688 1.00 0.00 O ATOM 1561 CB GLN A 99 2.569 -7.555 5.607 1.00 0.00 C ATOM 1562 CG GLN A 99 3.191 -8.771 4.952 1.00 0.00 C ATOM 1563 CD GLN A 99 4.538 -9.130 5.557 1.00 0.00 C ATOM 1564 OE1 GLN A 99 4.932 -10.294 5.576 1.00 0.00 O ATOM 1565 NE2 GLN A 99 5.247 -8.138 6.069 1.00 0.00 N ATOM 0 H GLN A 99 2.349 -6.585 3.318 1.00 0.00 H new ATOM 0 HA GLN A 99 0.564 -7.995 4.982 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.266 -6.720 5.529 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.434 -7.760 6.669 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.514 -9.619 5.050 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.313 -8.583 3.885 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.888 -7.184 6.035 1.00 0.00 H new ATOM 0 HE22 GLN A 99 6.153 -8.327 6.498 1.00 0.00 H new ATOM 1574 N LEU A 100 1.075 -4.844 5.718 1.00 0.00 N ATOM 1575 CA LEU A 100 0.614 -3.716 6.486 1.00 0.00 C ATOM 1576 C LEU A 100 -0.774 -3.370 6.061 1.00 0.00 C ATOM 1577 O LEU A 100 -1.598 -2.942 6.862 1.00 0.00 O ATOM 1578 CB LEU A 100 1.539 -2.514 6.281 1.00 0.00 C ATOM 1579 CG LEU A 100 1.098 -1.209 6.951 1.00 0.00 C ATOM 1580 CD1 LEU A 100 1.155 -1.325 8.465 1.00 0.00 C ATOM 1581 CD2 LEU A 100 1.948 -0.049 6.466 1.00 0.00 C ATOM 0 H LEU A 100 1.790 -4.610 5.030 1.00 0.00 H new ATOM 0 HA LEU A 100 0.620 -3.976 7.544 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.530 -2.775 6.654 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.638 -2.335 5.210 1.00 0.00 H new ATOM 0 HG LEU A 100 0.062 -1.017 6.671 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.837 -0.384 8.914 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.493 -2.126 8.794 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.176 -1.548 8.775 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.621 0.870 6.952 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.993 -0.237 6.711 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.841 0.054 5.386 1.00 0.00 H new ATOM 1593 N PHE A 101 -1.036 -3.587 4.798 1.00 0.00 N ATOM 1594 CA PHE A 101 -2.325 -3.295 4.243 1.00 0.00 C ATOM 1595 C PHE A 101 -3.370 -4.243 4.792 1.00 0.00 C ATOM 1596 O PHE A 101 -4.450 -3.831 5.191 1.00 0.00 O ATOM 1597 CB PHE A 101 -2.282 -3.382 2.733 1.00 0.00 C ATOM 1598 CG PHE A 101 -3.529 -2.900 2.076 1.00 0.00 C ATOM 1599 CD1 PHE A 101 -3.876 -1.566 2.138 1.00 0.00 C ATOM 1600 CD2 PHE A 101 -4.344 -3.772 1.386 1.00 0.00 C ATOM 1601 CE1 PHE A 101 -5.019 -1.105 1.520 1.00 0.00 C ATOM 1602 CE2 PHE A 101 -5.493 -3.322 0.767 1.00 0.00 C ATOM 1603 CZ PHE A 101 -5.831 -1.985 0.832 1.00 0.00 C ATOM 0 H PHE A 101 -0.364 -3.969 4.132 1.00 0.00 H new ATOM 0 HA PHE A 101 -2.597 -2.278 4.527 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -1.438 -2.797 2.367 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -2.103 -4.417 2.441 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.245 -0.875 2.677 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -4.081 -4.818 1.329 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -5.279 -0.058 1.574 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.126 -4.015 0.233 1.00 0.00 H new ATOM 0 HZ PHE A 101 -6.727 -1.629 0.346 1.00 0.00 H new ATOM 1613 N ARG A 102 -3.026 -5.505 4.845 1.00 0.00 N ATOM 1614 CA ARG A 102 -3.936 -6.516 5.317 1.00 0.00 C ATOM 1615 C ARG A 102 -4.044 -6.442 6.838 1.00 0.00 C ATOM 1616 O ARG A 102 -5.108 -6.673 7.412 1.00 0.00 O ATOM 1617 CB ARG A 102 -3.460 -7.902 4.847 1.00 0.00 C ATOM 1618 CG ARG A 102 -4.327 -9.063 5.300 1.00 0.00 C ATOM 1619 CD ARG A 102 -3.927 -10.358 4.609 1.00 0.00 C ATOM 1620 NE ARG A 102 -4.495 -11.539 5.274 1.00 0.00 N ATOM 1621 CZ ARG A 102 -5.329 -12.419 4.700 1.00 0.00 C ATOM 1622 NH1 ARG A 102 -5.753 -12.243 3.455 1.00 0.00 N ATOM 1623 NH2 ARG A 102 -5.739 -13.482 5.382 1.00 0.00 N ATOM 0 H ARG A 102 -2.112 -5.859 4.564 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.930 -6.345 4.903 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.415 -7.905 3.758 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -2.444 -8.063 5.209 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.241 -9.184 6.380 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -5.373 -8.843 5.086 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -4.260 -10.332 3.571 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -2.840 -10.439 4.594 1.00 0.00 H new ATOM 0 HE ARG A 102 -4.235 -11.702 6.247 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.445 -11.430 2.921 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -6.387 -12.921 3.032 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -5.420 -13.628 6.340 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -6.373 -14.153 4.948 1.00 0.00 H new ATOM 1637 N SER A 103 -2.940 -6.094 7.481 1.00 0.00 N ATOM 1638 CA SER A 103 -2.926 -5.982 8.926 1.00 0.00 C ATOM 1639 C SER A 103 -3.804 -4.841 9.431 1.00 0.00 C ATOM 1640 O SER A 103 -4.727 -5.070 10.210 1.00 0.00 O ATOM 1641 CB SER A 103 -1.508 -5.892 9.488 1.00 0.00 C ATOM 1642 OG SER A 103 -0.768 -4.872 8.868 1.00 0.00 O ATOM 0 H SER A 103 -2.050 -5.886 7.027 1.00 0.00 H new ATOM 0 HA SER A 103 -3.361 -6.907 9.304 1.00 0.00 H new ATOM 0 HB2 SER A 103 -1.553 -5.708 10.561 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.000 -6.846 9.349 1.00 0.00 H new ATOM 0 HG SER A 103 -0.440 -5.187 8.000 1.00 0.00 H new ATOM 1648 N VAL A 104 -3.526 -3.612 8.993 1.00 0.00 N ATOM 1649 CA VAL A 104 -4.316 -2.455 9.428 1.00 0.00 C ATOM 1650 C VAL A 104 -5.791 -2.616 9.079 1.00 0.00 C ATOM 1651 O VAL A 104 -6.669 -2.233 9.858 1.00 0.00 O ATOM 1652 CB VAL A 104 -3.759 -1.102 8.877 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -3.907 -1.000 7.367 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -4.429 0.080 9.568 1.00 0.00 C ATOM 0 H VAL A 104 -2.770 -3.391 8.345 1.00 0.00 H new ATOM 0 HA VAL A 104 -4.226 -2.419 10.514 1.00 0.00 H new ATOM 0 HB VAL A 104 -2.693 -1.075 9.101 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -3.508 -0.045 7.026 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -3.358 -1.813 6.892 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.961 -1.069 7.099 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -4.026 1.011 9.169 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -5.504 0.044 9.390 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.237 0.031 10.640 1.00 0.00 H new ATOM 1664 N LEU A 105 -6.065 -3.187 7.919 1.00 0.00 N ATOM 1665 CA LEU A 105 -7.435 -3.452 7.510 1.00 0.00 C ATOM 1666 C LEU A 105 -8.115 -4.425 8.454 1.00 0.00 C ATOM 1667 O LEU A 105 -9.299 -4.293 8.737 1.00 0.00 O ATOM 1668 CB LEU A 105 -7.484 -3.967 6.077 1.00 0.00 C ATOM 1669 CG LEU A 105 -7.706 -2.902 4.988 1.00 0.00 C ATOM 1670 CD1 LEU A 105 -9.114 -2.351 5.065 1.00 0.00 C ATOM 1671 CD2 LEU A 105 -6.693 -1.773 5.108 1.00 0.00 C ATOM 0 H LEU A 105 -5.358 -3.476 7.243 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.981 -2.509 7.554 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.549 -4.486 5.866 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.282 -4.706 6.004 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.567 -3.381 4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.254 -1.599 4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.830 -3.160 4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.274 -1.896 6.043 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.875 -1.036 4.326 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.792 -1.298 6.084 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.686 -2.175 5.000 1.00 0.00 H new ATOM 1683 N GLN A 106 -7.374 -5.399 8.955 1.00 0.00 N ATOM 1684 CA GLN A 106 -7.947 -6.322 9.916 1.00 0.00 C ATOM 1685 C GLN A 106 -8.067 -5.664 11.268 1.00 0.00 C ATOM 1686 O GLN A 106 -8.954 -5.992 12.052 1.00 0.00 O ATOM 1687 CB GLN A 106 -7.161 -7.629 10.012 1.00 0.00 C ATOM 1688 CG GLN A 106 -7.795 -8.773 9.235 1.00 0.00 C ATOM 1689 CD GLN A 106 -7.701 -8.596 7.736 1.00 0.00 C ATOM 1690 OE1 GLN A 106 -6.771 -9.079 7.108 1.00 0.00 O ATOM 1691 NE2 GLN A 106 -8.654 -7.894 7.157 1.00 0.00 N ATOM 0 H GLN A 106 -6.396 -5.568 8.719 1.00 0.00 H new ATOM 0 HA GLN A 106 -8.944 -6.583 9.560 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -6.149 -7.464 9.641 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.073 -7.916 11.060 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -7.310 -9.708 9.516 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -8.844 -8.860 9.519 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -9.414 -7.507 7.716 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.632 -7.738 6.149 1.00 0.00 H new ATOM 1700 N GLU A 107 -7.193 -4.709 11.517 1.00 0.00 N ATOM 1701 CA GLU A 107 -7.216 -3.969 12.771 1.00 0.00 C ATOM 1702 C GLU A 107 -8.523 -3.206 12.892 1.00 0.00 C ATOM 1703 O GLU A 107 -9.253 -3.332 13.891 1.00 0.00 O ATOM 1704 CB GLU A 107 -6.034 -3.001 12.867 1.00 0.00 C ATOM 1705 CG GLU A 107 -6.028 -2.174 14.144 1.00 0.00 C ATOM 1706 CD GLU A 107 -4.875 -1.205 14.210 1.00 0.00 C ATOM 1707 OE1 GLU A 107 -4.971 -0.121 13.604 1.00 0.00 O ATOM 1708 OE2 GLU A 107 -3.871 -1.518 14.880 1.00 0.00 O ATOM 0 H GLU A 107 -6.457 -4.425 10.871 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.133 -4.683 13.590 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -5.105 -3.568 12.806 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -6.054 -2.329 12.009 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -6.965 -1.622 14.218 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -5.984 -2.843 15.004 1.00 0.00 H new ATOM 1715 N VAL A 108 -8.831 -2.436 11.861 1.00 0.00 N ATOM 1716 CA VAL A 108 -10.052 -1.665 11.832 1.00 0.00 C ATOM 1717 C VAL A 108 -11.275 -2.586 11.710 1.00 0.00 C ATOM 1718 O VAL A 108 -12.358 -2.251 12.170 1.00 0.00 O ATOM 1719 CB VAL A 108 -10.038 -0.599 10.691 1.00 0.00 C ATOM 1720 CG1 VAL A 108 -9.835 -1.226 9.328 1.00 0.00 C ATOM 1721 CG2 VAL A 108 -11.304 0.217 10.702 1.00 0.00 C ATOM 0 H VAL A 108 -8.246 -2.332 11.032 1.00 0.00 H new ATOM 0 HA VAL A 108 -10.121 -1.126 12.777 1.00 0.00 H new ATOM 0 HB VAL A 108 -9.190 0.059 10.883 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -9.832 -0.447 8.566 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -8.882 -1.755 9.309 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -10.644 -1.928 9.126 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -11.270 0.952 9.898 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -12.162 -0.440 10.557 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -11.398 0.730 11.659 1.00 0.00 H new ATOM 1731 N LEU A 109 -11.070 -3.767 11.134 1.00 0.00 N ATOM 1732 CA LEU A 109 -12.144 -4.742 10.964 1.00 0.00 C ATOM 1733 C LEU A 109 -12.616 -5.269 12.317 1.00 0.00 C ATOM 1734 O LEU A 109 -13.819 -5.366 12.571 1.00 0.00 O ATOM 1735 CB LEU A 109 -11.681 -5.906 10.085 1.00 0.00 C ATOM 1736 CG LEU A 109 -12.723 -6.991 9.807 1.00 0.00 C ATOM 1737 CD1 LEU A 109 -13.875 -6.441 8.977 1.00 0.00 C ATOM 1738 CD2 LEU A 109 -12.080 -8.185 9.120 1.00 0.00 C ATOM 0 H LEU A 109 -10.166 -4.073 10.775 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.978 -4.240 10.474 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -11.342 -5.503 9.131 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.817 -6.372 10.559 1.00 0.00 H new ATOM 0 HG LEU A 109 -13.130 -7.325 10.762 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -14.602 -7.232 8.794 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -14.356 -5.625 9.517 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -13.494 -6.071 8.025 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -12.836 -8.946 8.930 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -11.640 -7.867 8.175 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.302 -8.598 9.762 1.00 0.00 H new ATOM 1750 N GLU A 110 -11.663 -5.610 13.182 1.00 0.00 N ATOM 1751 CA GLU A 110 -11.981 -6.101 14.523 1.00 0.00 C ATOM 1752 C GLU A 110 -12.745 -5.049 15.302 1.00 0.00 C ATOM 1753 O GLU A 110 -13.779 -5.331 15.915 1.00 0.00 O ATOM 1754 CB GLU A 110 -10.707 -6.450 15.283 1.00 0.00 C ATOM 1755 CG GLU A 110 -9.868 -7.539 14.649 1.00 0.00 C ATOM 1756 CD GLU A 110 -8.603 -7.793 15.430 1.00 0.00 C ATOM 1757 OE1 GLU A 110 -7.562 -7.185 15.103 1.00 0.00 O ATOM 1758 OE2 GLU A 110 -8.647 -8.575 16.398 1.00 0.00 O ATOM 0 H GLU A 110 -10.665 -5.556 12.979 1.00 0.00 H new ATOM 0 HA GLU A 110 -12.595 -6.995 14.416 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -10.099 -5.550 15.377 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -10.976 -6.760 16.293 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -10.450 -8.459 14.589 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -9.615 -7.255 13.628 1.00 0.00 H new ATOM 1765 N ARG A 111 -12.245 -3.823 15.244 1.00 0.00 N ATOM 1766 CA ARG A 111 -12.843 -2.713 15.970 1.00 0.00 C ATOM 1767 C ARG A 111 -14.193 -2.350 15.375 1.00 0.00 C ATOM 1768 O ARG A 111 -15.049 -1.762 16.046 1.00 0.00 O ATOM 1769 CB ARG A 111 -11.913 -1.501 15.940 1.00 0.00 C ATOM 1770 CG ARG A 111 -10.594 -1.726 16.661 1.00 0.00 C ATOM 1771 CD ARG A 111 -9.643 -0.556 16.467 1.00 0.00 C ATOM 1772 NE ARG A 111 -10.216 0.709 16.933 1.00 0.00 N ATOM 1773 CZ ARG A 111 -9.525 1.845 17.062 1.00 0.00 C ATOM 1774 NH1 ARG A 111 -8.219 1.867 16.805 1.00 0.00 N ATOM 1775 NH2 ARG A 111 -10.138 2.951 17.464 1.00 0.00 N ATOM 0 H ARG A 111 -11.421 -3.571 14.698 1.00 0.00 H new ATOM 0 HA ARG A 111 -12.992 -3.019 17.005 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -11.709 -1.236 14.903 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -12.424 -0.651 16.392 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -10.781 -1.871 17.725 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -10.128 -2.639 16.291 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -8.715 -0.752 17.004 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -9.388 -0.469 15.411 1.00 0.00 H new ATOM 0 HE ARG A 111 -11.207 0.723 17.175 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -7.743 1.015 16.509 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -7.694 2.736 16.904 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -11.136 2.933 17.674 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -9.611 3.819 17.563 1.00 0.00 H new ATOM 1789 N MET A 112 -14.382 -2.715 14.124 1.00 0.00 N ATOM 1790 CA MET A 112 -15.609 -2.425 13.424 1.00 0.00 C ATOM 1791 C MET A 112 -16.718 -3.344 13.874 1.00 0.00 C ATOM 1792 O MET A 112 -17.836 -2.904 14.121 1.00 0.00 O ATOM 1793 CB MET A 112 -15.409 -2.541 11.928 1.00 0.00 C ATOM 1794 CG MET A 112 -16.500 -1.880 11.134 1.00 0.00 C ATOM 1795 SD MET A 112 -16.626 -0.110 11.482 1.00 0.00 S ATOM 1796 CE MET A 112 -14.972 0.438 11.061 1.00 0.00 C ATOM 0 H MET A 112 -13.691 -3.219 13.569 1.00 0.00 H new ATOM 0 HA MET A 112 -15.896 -1.400 13.660 1.00 0.00 H new ATOM 0 HB2 MET A 112 -14.451 -2.095 11.660 1.00 0.00 H new ATOM 0 HB3 MET A 112 -15.357 -3.595 11.655 1.00 0.00 H new ATOM 0 HG2 MET A 112 -16.312 -2.026 10.070 1.00 0.00 H new ATOM 0 HG3 MET A 112 -17.452 -2.361 11.359 1.00 0.00 H new ATOM 0 HE1 MET A 112 -15.007 1.474 10.723 1.00 0.00 H new ATOM 0 HE2 MET A 112 -14.330 0.364 11.939 1.00 0.00 H new ATOM 0 HE3 MET A 112 -14.572 -0.190 10.265 1.00 0.00 H new ATOM 1806 N LYS A 113 -16.402 -4.622 13.989 1.00 0.00 N ATOM 1807 CA LYS A 113 -17.383 -5.601 14.446 1.00 0.00 C ATOM 1808 C LYS A 113 -17.872 -5.245 15.828 1.00 0.00 C ATOM 1809 O LYS A 113 -19.055 -5.374 16.127 1.00 0.00 O ATOM 1810 CB LYS A 113 -16.823 -7.018 14.442 1.00 0.00 C ATOM 1811 CG LYS A 113 -16.668 -7.620 13.063 1.00 0.00 C ATOM 1812 CD LYS A 113 -16.484 -9.123 13.152 1.00 0.00 C ATOM 1813 CE LYS A 113 -16.305 -9.748 11.785 1.00 0.00 C ATOM 1814 NZ LYS A 113 -15.079 -9.263 11.111 1.00 0.00 N ATOM 0 H LYS A 113 -15.482 -5.008 13.775 1.00 0.00 H new ATOM 0 HA LYS A 113 -18.218 -5.574 13.746 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -15.851 -7.014 14.936 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -17.478 -7.657 15.034 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -17.547 -7.391 12.460 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -15.811 -7.173 12.560 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -15.615 -9.347 13.771 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -17.349 -9.567 13.644 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -16.259 -10.832 11.885 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -17.173 -9.521 11.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -14.883 -9.855 10.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -15.215 -8.277 10.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -14.276 -9.316 11.770 1.00 0.00 H new ATOM 1828 N GLN A 114 -16.949 -4.788 16.670 1.00 0.00 N ATOM 1829 CA GLN A 114 -17.294 -4.342 18.009 1.00 0.00 C ATOM 1830 C GLN A 114 -18.355 -3.253 17.926 1.00 0.00 C ATOM 1831 O GLN A 114 -19.371 -3.303 18.622 1.00 0.00 O ATOM 1832 CB GLN A 114 -16.053 -3.810 18.721 1.00 0.00 C ATOM 1833 CG GLN A 114 -14.965 -4.850 18.918 1.00 0.00 C ATOM 1834 CD GLN A 114 -13.682 -4.253 19.453 1.00 0.00 C ATOM 1835 OE1 GLN A 114 -13.698 -3.252 20.175 1.00 0.00 O ATOM 1836 NE2 GLN A 114 -12.565 -4.857 19.101 1.00 0.00 N ATOM 0 H GLN A 114 -15.957 -4.718 16.445 1.00 0.00 H new ATOM 0 HA GLN A 114 -17.688 -5.185 18.577 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -15.646 -2.977 18.148 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -16.345 -3.415 19.694 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -15.320 -5.616 19.607 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -14.763 -5.344 17.968 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -12.598 -5.682 18.502 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -11.667 -4.499 19.427 1.00 0.00 H new ATOM 1845 N GLU A 115 -18.089 -2.261 17.080 1.00 0.00 N ATOM 1846 CA GLU A 115 -19.026 -1.174 16.813 1.00 0.00 C ATOM 1847 C GLU A 115 -20.393 -1.722 16.378 1.00 0.00 C ATOM 1848 O GLU A 115 -21.432 -1.277 16.867 1.00 0.00 O ATOM 1849 CB GLU A 115 -18.464 -0.262 15.722 1.00 0.00 C ATOM 1850 CG GLU A 115 -19.149 1.087 15.626 1.00 0.00 C ATOM 1851 CD GLU A 115 -18.960 1.916 16.873 1.00 0.00 C ATOM 1852 OE1 GLU A 115 -17.814 1.991 17.367 1.00 0.00 O ATOM 1853 OE2 GLU A 115 -19.944 2.513 17.351 1.00 0.00 O ATOM 0 H GLU A 115 -17.215 -2.189 16.559 1.00 0.00 H new ATOM 0 HA GLU A 115 -19.161 -0.604 17.732 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -17.401 -0.105 15.907 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -18.549 -0.769 14.761 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -18.756 1.631 14.768 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -20.214 0.939 15.449 1.00 0.00 H new ATOM 1860 N GLU A 116 -20.379 -2.705 15.479 1.00 0.00 N ATOM 1861 CA GLU A 116 -21.616 -3.309 14.981 1.00 0.00 C ATOM 1862 C GLU A 116 -22.403 -3.909 16.138 1.00 0.00 C ATOM 1863 O GLU A 116 -23.582 -3.588 16.338 1.00 0.00 O ATOM 1864 CB GLU A 116 -21.312 -4.394 13.945 1.00 0.00 C ATOM 1865 CG GLU A 116 -20.603 -3.892 12.698 1.00 0.00 C ATOM 1866 CD GLU A 116 -20.338 -5.002 11.704 1.00 0.00 C ATOM 1867 OE1 GLU A 116 -19.190 -5.486 11.632 1.00 0.00 O ATOM 1868 OE2 GLU A 116 -21.291 -5.419 11.000 1.00 0.00 O ATOM 0 H GLU A 116 -19.527 -3.100 15.081 1.00 0.00 H new ATOM 0 HA GLU A 116 -22.210 -2.530 14.503 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -20.697 -5.163 14.412 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -22.247 -4.869 13.650 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -21.209 -3.119 12.224 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -19.659 -3.428 12.981 1.00 0.00 H new ATOM 1875 N GLU A 117 -21.734 -4.781 16.887 1.00 0.00 N ATOM 1876 CA GLU A 117 -22.309 -5.411 18.076 1.00 0.00 C ATOM 1877 C GLU A 117 -22.896 -4.354 19.007 1.00 0.00 C ATOM 1878 O GLU A 117 -24.058 -4.447 19.420 1.00 0.00 O ATOM 1879 CB GLU A 117 -21.241 -6.204 18.828 1.00 0.00 C ATOM 1880 CG GLU A 117 -20.561 -7.282 18.004 1.00 0.00 C ATOM 1881 CD GLU A 117 -19.403 -7.921 18.739 1.00 0.00 C ATOM 1882 OE1 GLU A 117 -19.195 -9.141 18.590 1.00 0.00 O ATOM 1883 OE2 GLU A 117 -18.693 -7.203 19.478 1.00 0.00 O ATOM 0 H GLU A 117 -20.777 -5.072 16.688 1.00 0.00 H new ATOM 0 HA GLU A 117 -23.100 -6.087 17.752 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -20.483 -5.512 19.194 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -21.699 -6.667 19.702 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -21.289 -8.049 17.741 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -20.202 -6.850 17.070 1.00 0.00 H new ATOM 1890 N ALA A 118 -22.092 -3.329 19.299 1.00 0.00 N ATOM 1891 CA ALA A 118 -22.487 -2.246 20.195 1.00 0.00 C ATOM 1892 C ALA A 118 -23.815 -1.627 19.777 1.00 0.00 C ATOM 1893 O ALA A 118 -24.675 -1.344 20.617 1.00 0.00 O ATOM 1894 CB ALA A 118 -21.402 -1.179 20.250 1.00 0.00 C ATOM 0 H ALA A 118 -21.150 -3.229 18.920 1.00 0.00 H new ATOM 0 HA ALA A 118 -22.617 -2.672 21.190 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -21.712 -0.379 20.922 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -20.475 -1.621 20.615 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -21.241 -0.772 19.252 1.00 0.00 H new ATOM 1900 N HIS A 119 -23.998 -1.440 18.481 1.00 0.00 N ATOM 1901 CA HIS A 119 -25.222 -0.845 17.976 1.00 0.00 C ATOM 1902 C HIS A 119 -26.341 -1.874 17.851 1.00 0.00 C ATOM 1903 O HIS A 119 -27.483 -1.523 17.721 1.00 0.00 O ATOM 1904 CB HIS A 119 -24.994 -0.142 16.636 1.00 0.00 C ATOM 1905 CG HIS A 119 -24.139 1.082 16.726 1.00 0.00 C ATOM 1906 ND1 HIS A 119 -24.615 2.309 17.130 1.00 0.00 N ATOM 1907 CD2 HIS A 119 -22.831 1.259 16.469 1.00 0.00 C ATOM 1908 CE1 HIS A 119 -23.627 3.184 17.118 1.00 0.00 C ATOM 1909 NE2 HIS A 119 -22.532 2.568 16.721 1.00 0.00 N ATOM 0 H HIS A 119 -23.318 -1.690 17.763 1.00 0.00 H new ATOM 0 HA HIS A 119 -25.531 -0.097 18.706 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -24.531 -0.845 15.943 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -25.960 0.133 16.213 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -22.141 0.503 16.125 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -23.703 4.227 17.388 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -21.613 2.998 16.619 1.00 0.00 H new