USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 809 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 32 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 82 SER OG : rot -2:sc= -1.56! USER MOD Set 1.3: A 84 ASN : amide:sc= -6.07! C(o=-7.6!,f=-11!) USER MOD Single : A 1 ASP N :NH3+ -106:sc= 1.02! (180deg=-0.967) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 90:sc= -4.36! USER MOD Single : A 12 ASN : amide:sc= -2.49! C(o=-2.5!,f=-4.6!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.243) USER MOD Single : A 20 ASN : amide:sc= -3.79! C(o=-3.8!,f=-8.1!) USER MOD Single : A 23 GLN : amide:sc= 1.14 K(o=1.1,f=-0.7) USER MOD Single : A 25 LYS NZ :NH3+ -114:sc= -0.583 (180deg=-3.88!) USER MOD Single : A 26 SER OG : rot 180:sc= -0.431! USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 30 LYS NZ :NH3+ 157:sc= -0.0657 (180deg=-0.451) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot -173:sc= -7.51! USER MOD Single : A 37 SER OG : rot 38:sc= 0.0799 USER MOD Single : A 39 THR OG1 : rot 66:sc= -1.6 USER MOD Single : A 41 GLN : amide:sc= -1.09 K(o=-1.1,f=-2.4) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -160:sc= -0.835 USER MOD Single : A 61 LYS NZ :NH3+ -149:sc= -0.258 (180deg=-1.32!) USER MOD Single : A 63 THR OG1 : rot -60:sc= 0.687 USER MOD Single : A 64 GLN : amide:sc= -0.112 K(o=-0.11,f=-0.64) USER MOD Single : A 73 LYS NZ :NH3+ 151:sc= -0.346 (180deg=-1.43) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.0725 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.338 USER MOD Single : A 79 HIS : no HE2:sc= -5.5! C(o=-5.5!,f=-8.5!) USER MOD Single : A 83 SER OG : rot 170:sc= 0 USER MOD Single : A 92 MET CE :methyl -117:sc= -0.0102 (180deg=-2.04!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -1.46! C(o=-1.5!,f=-3!) USER MOD Single : A 102 ASN : amide:sc= -3.02! C(o=-3!,f=-7.1!) USER MOD Single : A 104 ASN :FLIP amide:sc= 0.0125 F(o=-1.4,f=0.013) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 11.614 -11.724 -4.062 1.00 0.00 N ATOM 2 CA ASP A 1 10.749 -12.372 -5.075 1.00 0.00 C ATOM 3 C ASP A 1 9.538 -11.502 -5.359 1.00 0.00 C ATOM 4 O ASP A 1 9.224 -10.606 -4.600 1.00 0.00 O ATOM 5 CB ASP A 1 10.273 -13.723 -4.523 1.00 0.00 C ATOM 6 CG ASP A 1 9.982 -13.585 -3.027 1.00 0.00 C ATOM 7 OD1 ASP A 1 10.953 -13.507 -2.292 1.00 0.00 O ATOM 8 OD2 ASP A 1 8.806 -13.567 -2.704 1.00 0.00 O ATOM 0 H1 ASP A 1 12.464 -11.342 -4.524 1.00 0.00 H new ATOM 0 H2 ASP A 1 11.092 -10.950 -3.604 1.00 0.00 H new ATOM 0 H3 ASP A 1 11.894 -12.424 -3.346 1.00 0.00 H new ATOM 0 HA ASP A 1 11.313 -12.513 -5.997 1.00 0.00 H new ATOM 0 HB2 ASP A 1 9.377 -14.049 -5.051 1.00 0.00 H new ATOM 0 HB3 ASP A 1 11.035 -14.485 -4.688 1.00 0.00 H new ATOM 13 N TRP A 2 8.872 -11.771 -6.443 1.00 0.00 N ATOM 14 CA TRP A 2 7.684 -10.954 -6.767 1.00 0.00 C ATOM 15 C TRP A 2 6.436 -11.485 -6.052 1.00 0.00 C ATOM 16 O TRP A 2 5.683 -12.258 -6.607 1.00 0.00 O ATOM 17 CB TRP A 2 7.466 -11.023 -8.303 1.00 0.00 C ATOM 18 CG TRP A 2 8.169 -9.831 -8.985 1.00 0.00 C ATOM 19 CD1 TRP A 2 9.108 -9.085 -8.411 1.00 0.00 C ATOM 20 CD2 TRP A 2 7.880 -9.381 -10.191 1.00 0.00 C ATOM 21 NE1 TRP A 2 9.374 -8.143 -9.335 1.00 0.00 N ATOM 22 CE2 TRP A 2 8.635 -8.261 -10.496 1.00 0.00 C ATOM 23 CE3 TRP A 2 6.992 -9.877 -11.134 1.00 0.00 C ATOM 24 CZ2 TRP A 2 8.499 -7.641 -11.719 1.00 0.00 C ATOM 25 CZ3 TRP A 2 6.866 -9.254 -12.360 1.00 0.00 C ATOM 26 CH2 TRP A 2 7.620 -8.139 -12.650 1.00 0.00 C ATOM 0 H TRP A 2 9.097 -12.511 -7.108 1.00 0.00 H new ATOM 0 HA TRP A 2 7.848 -9.928 -6.437 1.00 0.00 H new ATOM 0 HB2 TRP A 2 7.860 -11.961 -8.694 1.00 0.00 H new ATOM 0 HB3 TRP A 2 6.400 -11.006 -8.529 1.00 0.00 H new ATOM 0 HD1 TRP A 2 9.552 -9.206 -7.434 1.00 0.00 H new ATOM 0 HE1 TRP A 2 10.063 -7.405 -9.190 1.00 0.00 H new ATOM 0 HE3 TRP A 2 6.399 -10.751 -10.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 9.084 -6.762 -11.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 6.174 -9.642 -13.093 1.00 0.00 H new ATOM 0 HH2 TRP A 2 7.520 -7.655 -13.610 1.00 0.00 H new ATOM 37 N VAL A 3 6.233 -11.025 -4.827 1.00 0.00 N ATOM 38 CA VAL A 3 5.041 -11.482 -4.043 1.00 0.00 C ATOM 39 C VAL A 3 4.743 -10.523 -2.880 1.00 0.00 C ATOM 40 O VAL A 3 5.338 -10.633 -1.825 1.00 0.00 O ATOM 41 CB VAL A 3 5.344 -12.870 -3.440 1.00 0.00 C ATOM 42 CG1 VAL A 3 4.292 -13.181 -2.365 1.00 0.00 C ATOM 43 CG2 VAL A 3 5.285 -13.938 -4.540 1.00 0.00 C ATOM 0 H VAL A 3 6.839 -10.360 -4.347 1.00 0.00 H new ATOM 0 HA VAL A 3 4.183 -11.514 -4.714 1.00 0.00 H new ATOM 0 HB VAL A 3 6.340 -12.871 -2.998 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.494 -14.160 -1.930 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.334 -12.422 -1.584 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.300 -13.183 -2.816 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.500 -14.916 -4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.290 -13.948 -4.985 1.00 0.00 H new ATOM 0 HG23 VAL A 3 6.024 -13.710 -5.309 1.00 0.00 H new ATOM 53 N ILE A 4 3.833 -9.602 -3.081 1.00 0.00 N ATOM 54 CA ILE A 4 3.516 -8.657 -1.976 1.00 0.00 C ATOM 55 C ILE A 4 2.147 -7.976 -2.176 1.00 0.00 C ATOM 56 O ILE A 4 2.053 -6.909 -2.749 1.00 0.00 O ATOM 57 CB ILE A 4 4.603 -7.589 -1.963 1.00 0.00 C ATOM 58 CG1 ILE A 4 4.340 -6.596 -0.839 1.00 0.00 C ATOM 59 CG2 ILE A 4 4.579 -6.840 -3.304 1.00 0.00 C ATOM 60 CD1 ILE A 4 5.529 -5.640 -0.723 1.00 0.00 C ATOM 0 H ILE A 4 3.308 -9.468 -3.945 1.00 0.00 H new ATOM 0 HA ILE A 4 3.474 -9.209 -1.037 1.00 0.00 H new ATOM 0 HB ILE A 4 5.573 -8.061 -1.809 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.426 -6.036 -1.039 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.190 -7.125 0.102 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.353 -6.073 -3.306 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.762 -7.543 -4.117 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.604 -6.372 -3.442 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.345 -4.927 0.081 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.433 -6.208 -0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.657 -5.103 -1.663 1.00 0.00 H new ATOM 72 N PRO A 5 1.103 -8.624 -1.688 1.00 0.00 N ATOM 73 CA PRO A 5 -0.263 -8.089 -1.807 1.00 0.00 C ATOM 74 C PRO A 5 -0.484 -6.749 -1.045 1.00 0.00 C ATOM 75 O PRO A 5 -1.134 -5.853 -1.551 1.00 0.00 O ATOM 76 CB PRO A 5 -1.169 -9.191 -1.203 1.00 0.00 C ATOM 77 CG PRO A 5 -0.253 -10.406 -0.840 1.00 0.00 C ATOM 78 CD PRO A 5 1.203 -9.970 -1.084 1.00 0.00 C ATOM 0 HA PRO A 5 -0.482 -7.856 -2.849 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.684 -8.821 -0.317 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.937 -9.490 -1.916 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.397 -10.699 0.200 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.503 -11.272 -1.453 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.769 -9.944 -0.153 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.717 -10.664 -1.749 1.00 0.00 H new ATOM 86 N PRO A 6 0.054 -6.647 0.158 1.00 0.00 N ATOM 87 CA PRO A 6 -0.091 -5.431 0.972 1.00 0.00 C ATOM 88 C PRO A 6 0.753 -4.269 0.446 1.00 0.00 C ATOM 89 O PRO A 6 1.873 -4.454 0.014 1.00 0.00 O ATOM 90 CB PRO A 6 0.419 -5.832 2.366 1.00 0.00 C ATOM 91 CG PRO A 6 1.013 -7.270 2.243 1.00 0.00 C ATOM 92 CD PRO A 6 0.810 -7.725 0.787 1.00 0.00 C ATOM 0 HA PRO A 6 -1.125 -5.086 0.962 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.177 -5.131 2.715 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.393 -5.812 3.093 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.072 -7.272 2.502 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.515 -7.952 2.932 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.765 -7.882 0.286 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.266 -8.668 0.740 1.00 0.00 H new ATOM 100 N ILE A 7 0.190 -3.085 0.499 1.00 0.00 N ATOM 101 CA ILE A 7 0.934 -1.890 0.013 1.00 0.00 C ATOM 102 C ILE A 7 0.612 -0.667 0.881 1.00 0.00 C ATOM 103 O ILE A 7 -0.358 -0.665 1.615 1.00 0.00 O ATOM 104 CB ILE A 7 0.500 -1.586 -1.433 1.00 0.00 C ATOM 105 CG1 ILE A 7 0.678 -2.819 -2.332 1.00 0.00 C ATOM 106 CG2 ILE A 7 1.381 -0.450 -1.973 1.00 0.00 C ATOM 107 CD1 ILE A 7 2.166 -3.028 -2.650 1.00 0.00 C ATOM 0 H ILE A 7 -0.747 -2.900 0.856 1.00 0.00 H new ATOM 0 HA ILE A 7 2.003 -2.097 0.063 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.553 -1.304 -1.435 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.276 -3.702 -1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.115 -2.689 -3.256 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.089 -0.219 -2.998 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.254 0.436 -1.351 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.426 -0.760 -1.954 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.282 -3.904 -3.288 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.555 -2.150 -3.166 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.719 -3.178 -1.723 1.00 0.00 H new ATOM 119 N SER A 8 1.443 0.350 0.777 1.00 0.00 N ATOM 120 CA SER A 8 1.218 1.592 1.582 1.00 0.00 C ATOM 121 C SER A 8 1.247 2.828 0.679 1.00 0.00 C ATOM 122 O SER A 8 1.974 2.861 -0.293 1.00 0.00 O ATOM 123 CB SER A 8 2.353 1.703 2.613 1.00 0.00 C ATOM 124 OG SER A 8 3.377 2.409 1.929 1.00 0.00 O ATOM 0 H SER A 8 2.263 0.370 0.171 1.00 0.00 H new ATOM 0 HA SER A 8 0.246 1.539 2.072 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.029 2.237 3.506 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.695 0.720 2.936 1.00 0.00 H new ATOM 0 HG SER A 8 4.147 2.525 2.524 1.00 0.00 H new ATOM 130 N CYS A 9 0.454 3.825 1.021 1.00 0.00 N ATOM 131 CA CYS A 9 0.430 5.064 0.182 1.00 0.00 C ATOM 132 C CYS A 9 0.331 6.354 1.047 1.00 0.00 C ATOM 133 O CYS A 9 -0.652 6.564 1.729 1.00 0.00 O ATOM 134 CB CYS A 9 -0.816 4.981 -0.701 1.00 0.00 C ATOM 135 SG CYS A 9 -0.767 5.843 -2.289 1.00 0.00 S ATOM 0 H CYS A 9 -0.166 3.831 1.831 1.00 0.00 H new ATOM 0 HA CYS A 9 1.353 5.121 -0.395 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.022 3.928 -0.895 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.659 5.371 -0.131 1.00 0.00 H new ATOM 0 HG CYS A 9 -0.308 5.042 -3.204 1.00 0.00 H new ATOM 141 N PRO A 10 1.371 7.201 0.999 1.00 0.00 N ATOM 142 CA PRO A 10 1.382 8.451 1.778 1.00 0.00 C ATOM 143 C PRO A 10 0.349 9.467 1.261 1.00 0.00 C ATOM 144 O PRO A 10 -0.077 9.408 0.116 1.00 0.00 O ATOM 145 CB PRO A 10 2.799 9.032 1.574 1.00 0.00 C ATOM 146 CG PRO A 10 3.540 8.110 0.558 1.00 0.00 C ATOM 147 CD PRO A 10 2.591 6.949 0.214 1.00 0.00 C ATOM 0 HA PRO A 10 1.133 8.255 2.821 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.744 10.053 1.196 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.338 9.071 2.521 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.808 8.666 -0.340 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.468 7.733 0.988 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.373 6.922 -0.854 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.035 5.988 0.474 1.00 0.00 H new ATOM 155 N GLU A 11 -0.022 10.390 2.124 1.00 0.00 N ATOM 156 CA GLU A 11 -1.020 11.426 1.727 1.00 0.00 C ATOM 157 C GLU A 11 -0.409 12.814 1.756 1.00 0.00 C ATOM 158 O GLU A 11 0.691 13.007 2.237 1.00 0.00 O ATOM 159 CB GLU A 11 -2.184 11.387 2.726 1.00 0.00 C ATOM 160 CG GLU A 11 -1.629 11.153 4.134 1.00 0.00 C ATOM 161 CD GLU A 11 -2.500 11.888 5.158 1.00 0.00 C ATOM 162 OE1 GLU A 11 -2.909 12.991 4.833 1.00 0.00 O ATOM 163 OE2 GLU A 11 -2.704 11.305 6.210 1.00 0.00 O ATOM 0 H GLU A 11 0.325 10.465 3.080 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.359 11.214 0.713 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.740 12.324 2.692 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.881 10.593 2.460 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.611 10.086 4.356 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.600 11.509 4.194 1.00 0.00 H new ATOM 170 N ASN A 12 -1.136 13.760 1.234 1.00 0.00 N ATOM 171 CA ASN A 12 -0.626 15.146 1.215 1.00 0.00 C ATOM 172 C ASN A 12 0.758 15.201 0.589 1.00 0.00 C ATOM 173 O ASN A 12 1.571 16.032 0.939 1.00 0.00 O ATOM 174 CB ASN A 12 -0.537 15.650 2.663 1.00 0.00 C ATOM 175 CG ASN A 12 -1.770 15.178 3.439 1.00 0.00 C ATOM 176 OD1 ASN A 12 -2.805 14.897 2.867 1.00 0.00 O ATOM 177 ND2 ASN A 12 -1.703 15.077 4.739 1.00 0.00 N ATOM 0 H ASN A 12 -2.060 13.628 0.822 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.301 15.767 0.626 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.370 15.275 3.136 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.478 16.738 2.679 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.516 14.764 5.269 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.837 15.311 5.225 1.00 0.00 H new ATOM 184 N GLU A 13 1.001 14.308 -0.330 1.00 0.00 N ATOM 185 CA GLU A 13 2.324 14.290 -0.992 1.00 0.00 C ATOM 186 C GLU A 13 2.519 15.534 -1.839 1.00 0.00 C ATOM 187 O GLU A 13 1.814 15.748 -2.802 1.00 0.00 O ATOM 188 CB GLU A 13 2.387 13.056 -1.904 1.00 0.00 C ATOM 189 CG GLU A 13 3.819 12.883 -2.412 1.00 0.00 C ATOM 190 CD GLU A 13 4.645 12.155 -1.351 1.00 0.00 C ATOM 191 OE1 GLU A 13 4.338 12.362 -0.189 1.00 0.00 O ATOM 192 OE2 GLU A 13 5.535 11.430 -1.761 1.00 0.00 O ATOM 0 H GLU A 13 0.342 13.596 -0.646 1.00 0.00 H new ATOM 0 HA GLU A 13 3.105 14.259 -0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.072 12.167 -1.357 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.702 13.173 -2.743 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.821 12.317 -3.343 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.260 13.856 -2.629 1.00 0.00 H new ATOM 199 N LYS A 14 3.475 16.335 -1.464 1.00 0.00 N ATOM 200 CA LYS A 14 3.731 17.572 -2.237 1.00 0.00 C ATOM 201 C LYS A 14 4.809 17.332 -3.283 1.00 0.00 C ATOM 202 O LYS A 14 5.457 16.304 -3.278 1.00 0.00 O ATOM 203 CB LYS A 14 4.208 18.663 -1.265 1.00 0.00 C ATOM 204 CG LYS A 14 5.468 18.180 -0.540 1.00 0.00 C ATOM 205 CD LYS A 14 6.394 19.376 -0.305 1.00 0.00 C ATOM 206 CE LYS A 14 7.271 19.584 -1.542 1.00 0.00 C ATOM 207 NZ LYS A 14 8.354 20.567 -1.255 1.00 0.00 N ATOM 0 H LYS A 14 4.085 16.185 -0.660 1.00 0.00 H new ATOM 0 HA LYS A 14 2.815 17.879 -2.742 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.418 19.584 -1.809 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.424 18.891 -0.543 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.202 17.717 0.410 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.977 17.420 -1.134 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.807 20.272 -0.106 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.017 19.202 0.572 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.707 18.634 -1.850 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.660 19.939 -2.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.940 20.696 -2.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.933 21.478 -0.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.947 20.213 -0.477 1.00 0.00 H new ATOM 221 N GLY A 15 4.977 18.288 -4.164 1.00 0.00 N ATOM 222 CA GLY A 15 6.015 18.142 -5.232 1.00 0.00 C ATOM 223 C GLY A 15 5.358 18.119 -6.612 1.00 0.00 C ATOM 224 O GLY A 15 4.238 18.564 -6.778 1.00 0.00 O ATOM 0 H GLY A 15 4.444 19.157 -4.190 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.725 18.967 -5.174 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.580 17.223 -5.076 1.00 0.00 H new ATOM 228 N GLU A 16 6.073 17.597 -7.578 1.00 0.00 N ATOM 229 CA GLU A 16 5.516 17.531 -8.954 1.00 0.00 C ATOM 230 C GLU A 16 4.968 16.141 -9.257 1.00 0.00 C ATOM 231 O GLU A 16 5.675 15.156 -9.173 1.00 0.00 O ATOM 232 CB GLU A 16 6.647 17.844 -9.944 1.00 0.00 C ATOM 233 CG GLU A 16 7.272 19.190 -9.574 1.00 0.00 C ATOM 234 CD GLU A 16 8.173 19.663 -10.715 1.00 0.00 C ATOM 235 OE1 GLU A 16 9.077 18.911 -11.036 1.00 0.00 O ATOM 236 OE2 GLU A 16 7.907 20.750 -11.201 1.00 0.00 O ATOM 0 H GLU A 16 7.013 17.217 -7.469 1.00 0.00 H new ATOM 0 HA GLU A 16 4.701 18.250 -9.043 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.401 17.058 -9.915 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.259 17.876 -10.962 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.491 19.926 -9.384 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.850 19.094 -8.655 1.00 0.00 H new ATOM 243 N PHE A 17 3.714 16.091 -9.607 1.00 0.00 N ATOM 244 CA PHE A 17 3.087 14.784 -9.922 1.00 0.00 C ATOM 245 C PHE A 17 3.289 14.440 -11.402 1.00 0.00 C ATOM 246 O PHE A 17 3.509 15.313 -12.217 1.00 0.00 O ATOM 247 CB PHE A 17 1.577 14.915 -9.633 1.00 0.00 C ATOM 248 CG PHE A 17 1.336 14.751 -8.128 1.00 0.00 C ATOM 249 CD1 PHE A 17 1.365 15.853 -7.288 1.00 0.00 C ATOM 250 CD2 PHE A 17 1.092 13.502 -7.584 1.00 0.00 C ATOM 251 CE1 PHE A 17 1.154 15.703 -5.933 1.00 0.00 C ATOM 252 CE2 PHE A 17 0.882 13.359 -6.228 1.00 0.00 C ATOM 253 CZ PHE A 17 0.914 14.456 -5.407 1.00 0.00 C ATOM 0 H PHE A 17 3.098 16.900 -9.688 1.00 0.00 H new ATOM 0 HA PHE A 17 3.538 13.995 -9.320 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.213 15.886 -9.968 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.021 14.158 -10.187 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.554 16.835 -7.697 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.066 12.633 -8.225 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.177 16.566 -5.285 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.692 12.380 -5.812 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.750 14.341 -4.346 1.00 0.00 H new ATOM 263 N PRO A 18 3.211 13.161 -11.720 1.00 0.00 N ATOM 264 CA PRO A 18 2.989 12.094 -10.736 1.00 0.00 C ATOM 265 C PRO A 18 4.249 11.783 -9.931 1.00 0.00 C ATOM 266 O PRO A 18 5.289 12.374 -10.144 1.00 0.00 O ATOM 267 CB PRO A 18 2.629 10.857 -11.587 1.00 0.00 C ATOM 268 CG PRO A 18 2.902 11.228 -13.077 1.00 0.00 C ATOM 269 CD PRO A 18 3.293 12.716 -13.111 1.00 0.00 C ATOM 0 HA PRO A 18 2.221 12.382 -10.018 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.228 9.997 -11.289 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.584 10.582 -11.444 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.701 10.611 -13.487 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.016 11.049 -13.687 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.298 12.851 -13.510 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.618 13.287 -13.748 1.00 0.00 H new ATOM 277 N LYS A 19 4.120 10.855 -9.019 1.00 0.00 N ATOM 278 CA LYS A 19 5.286 10.472 -8.178 1.00 0.00 C ATOM 279 C LYS A 19 5.312 8.962 -7.969 1.00 0.00 C ATOM 280 O LYS A 19 4.292 8.355 -7.715 1.00 0.00 O ATOM 281 CB LYS A 19 5.145 11.157 -6.811 1.00 0.00 C ATOM 282 CG LYS A 19 6.469 11.044 -6.052 1.00 0.00 C ATOM 283 CD LYS A 19 6.580 12.202 -5.060 1.00 0.00 C ATOM 284 CE LYS A 19 7.517 11.797 -3.920 1.00 0.00 C ATOM 285 NZ LYS A 19 8.832 11.348 -4.459 1.00 0.00 N ATOM 0 H LYS A 19 3.257 10.348 -8.822 1.00 0.00 H new ATOM 0 HA LYS A 19 6.207 10.780 -8.674 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.876 12.205 -6.942 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.343 10.691 -6.238 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.519 10.091 -5.525 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.305 11.066 -6.751 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.961 13.092 -5.562 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.596 12.455 -4.666 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.663 12.640 -3.245 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.064 10.996 -3.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.531 11.321 -3.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.732 10.398 -4.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.151 12.012 -5.193 1.00 0.00 H new ATOM 299 N ASN A 20 6.474 8.379 -8.083 1.00 0.00 N ATOM 300 CA ASN A 20 6.572 6.908 -7.892 1.00 0.00 C ATOM 301 C ASN A 20 6.483 6.530 -6.415 1.00 0.00 C ATOM 302 O ASN A 20 7.040 7.203 -5.569 1.00 0.00 O ATOM 303 CB ASN A 20 7.922 6.443 -8.436 1.00 0.00 C ATOM 304 CG ASN A 20 8.126 7.015 -9.841 1.00 0.00 C ATOM 305 OD1 ASN A 20 7.990 8.201 -10.067 1.00 0.00 O ATOM 306 ND2 ASN A 20 8.448 6.206 -10.813 1.00 0.00 N ATOM 0 H ASN A 20 7.351 8.854 -8.298 1.00 0.00 H new ATOM 0 HA ASN A 20 5.745 6.431 -8.418 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.725 6.772 -7.777 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.960 5.354 -8.465 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.584 6.570 -11.756 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.564 5.209 -10.630 1.00 0.00 H new ATOM 313 N LEU A 21 5.777 5.449 -6.133 1.00 0.00 N ATOM 314 CA LEU A 21 5.634 4.999 -4.711 1.00 0.00 C ATOM 315 C LEU A 21 6.172 3.585 -4.526 1.00 0.00 C ATOM 316 O LEU A 21 7.074 3.357 -3.745 1.00 0.00 O ATOM 317 CB LEU A 21 4.139 4.983 -4.347 1.00 0.00 C ATOM 318 CG LEU A 21 3.659 6.406 -4.049 1.00 0.00 C ATOM 319 CD1 LEU A 21 4.469 6.991 -2.878 1.00 0.00 C ATOM 320 CD2 LEU A 21 3.834 7.269 -5.303 1.00 0.00 C ATOM 0 H LEU A 21 5.300 4.868 -6.823 1.00 0.00 H new ATOM 0 HA LEU A 21 6.196 5.684 -4.076 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.561 4.559 -5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.974 4.345 -3.479 1.00 0.00 H new ATOM 0 HG LEU A 21 2.605 6.391 -3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.125 8.004 -2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.330 6.370 -1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.526 7.014 -3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.494 8.284 -5.097 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.886 7.290 -5.586 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.247 6.848 -6.119 1.00 0.00 H new ATOM 332 N VAL A 22 5.604 2.660 -5.252 1.00 0.00 N ATOM 333 CA VAL A 22 6.064 1.251 -5.135 1.00 0.00 C ATOM 334 C VAL A 22 5.962 0.539 -6.475 1.00 0.00 C ATOM 335 O VAL A 22 5.273 0.989 -7.357 1.00 0.00 O ATOM 336 CB VAL A 22 5.163 0.530 -4.123 1.00 0.00 C ATOM 337 CG1 VAL A 22 3.823 0.205 -4.784 1.00 0.00 C ATOM 338 CG2 VAL A 22 5.835 -0.772 -3.687 1.00 0.00 C ATOM 0 H VAL A 22 4.847 2.820 -5.916 1.00 0.00 H new ATOM 0 HA VAL A 22 7.105 1.240 -4.811 1.00 0.00 H new ATOM 0 HB VAL A 22 5.001 1.170 -3.255 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.179 -0.307 -4.069 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.343 1.129 -5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.990 -0.438 -5.648 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.198 -1.287 -2.968 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.990 -1.410 -4.557 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.796 -0.548 -3.225 1.00 0.00 H new ATOM 348 N GLN A 23 6.660 -0.558 -6.600 1.00 0.00 N ATOM 349 CA GLN A 23 6.619 -1.318 -7.881 1.00 0.00 C ATOM 350 C GLN A 23 5.657 -2.511 -7.795 1.00 0.00 C ATOM 351 O GLN A 23 5.427 -3.050 -6.732 1.00 0.00 O ATOM 352 CB GLN A 23 8.035 -1.852 -8.152 1.00 0.00 C ATOM 353 CG GLN A 23 8.328 -1.786 -9.653 1.00 0.00 C ATOM 354 CD GLN A 23 9.466 -2.756 -9.981 1.00 0.00 C ATOM 355 OE1 GLN A 23 10.285 -3.076 -9.143 1.00 0.00 O ATOM 356 NE2 GLN A 23 9.552 -3.251 -11.186 1.00 0.00 N ATOM 0 H GLN A 23 7.254 -0.959 -5.874 1.00 0.00 H new ATOM 0 HA GLN A 23 6.273 -0.657 -8.676 1.00 0.00 H new ATOM 0 HB2 GLN A 23 8.769 -1.263 -7.601 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.121 -2.880 -7.799 1.00 0.00 H new ATOM 0 HG2 GLN A 23 7.436 -2.046 -10.223 1.00 0.00 H new ATOM 0 HG3 GLN A 23 8.604 -0.771 -9.939 1.00 0.00 H new ATOM 0 HE21 GLN A 23 8.868 -2.987 -11.896 1.00 0.00 H new ATOM 0 HE22 GLN A 23 10.303 -3.901 -11.418 1.00 0.00 H new ATOM 365 N ILE A 24 5.109 -2.894 -8.927 1.00 0.00 N ATOM 366 CA ILE A 24 4.161 -4.049 -8.936 1.00 0.00 C ATOM 367 C ILE A 24 4.912 -5.364 -9.158 1.00 0.00 C ATOM 368 O ILE A 24 5.953 -5.385 -9.786 1.00 0.00 O ATOM 369 CB ILE A 24 3.148 -3.834 -10.077 1.00 0.00 C ATOM 370 CG1 ILE A 24 1.909 -3.132 -9.550 1.00 0.00 C ATOM 371 CG2 ILE A 24 2.726 -5.185 -10.649 1.00 0.00 C ATOM 372 CD1 ILE A 24 2.303 -1.780 -8.983 1.00 0.00 C ATOM 0 H ILE A 24 5.277 -2.460 -9.834 1.00 0.00 H new ATOM 0 HA ILE A 24 3.650 -4.107 -7.975 1.00 0.00 H new ATOM 0 HB ILE A 24 3.619 -3.225 -10.849 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.180 -3.005 -10.351 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.433 -3.738 -8.779 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.010 -5.031 -11.456 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.602 -5.706 -11.036 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.265 -5.784 -9.864 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.416 -1.272 -8.603 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.017 -1.920 -8.171 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.759 -1.176 -9.767 1.00 0.00 H new ATOM 384 N LYS A 25 4.364 -6.444 -8.633 1.00 0.00 N ATOM 385 CA LYS A 25 5.035 -7.763 -8.803 1.00 0.00 C ATOM 386 C LYS A 25 4.030 -8.901 -9.059 1.00 0.00 C ATOM 387 O LYS A 25 3.002 -8.981 -8.414 1.00 0.00 O ATOM 388 CB LYS A 25 5.789 -8.055 -7.505 1.00 0.00 C ATOM 389 CG LYS A 25 6.680 -6.852 -7.173 1.00 0.00 C ATOM 390 CD LYS A 25 7.524 -7.167 -5.936 1.00 0.00 C ATOM 391 CE LYS A 25 8.077 -5.859 -5.362 1.00 0.00 C ATOM 392 NZ LYS A 25 6.967 -4.957 -4.952 1.00 0.00 N ATOM 0 H LYS A 25 3.493 -6.461 -8.103 1.00 0.00 H new ATOM 0 HA LYS A 25 5.697 -7.715 -9.668 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.086 -8.240 -6.693 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.394 -8.955 -7.614 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.328 -6.621 -8.019 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.066 -5.970 -6.992 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.919 -7.680 -5.188 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.342 -7.838 -6.199 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.715 -6.073 -4.504 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.700 -5.363 -6.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.966 -4.111 -5.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.060 -5.455 -5.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.099 -4.673 -3.960 1.00 0.00 H new ATOM 406 N SER A 26 4.364 -9.765 -10.009 1.00 0.00 N ATOM 407 CA SER A 26 3.459 -10.914 -10.339 1.00 0.00 C ATOM 408 C SER A 26 4.129 -12.252 -10.036 1.00 0.00 C ATOM 409 O SER A 26 4.505 -12.525 -8.913 1.00 0.00 O ATOM 410 CB SER A 26 3.150 -10.874 -11.846 1.00 0.00 C ATOM 411 OG SER A 26 2.381 -12.046 -12.074 1.00 0.00 O ATOM 0 H SER A 26 5.220 -9.717 -10.561 1.00 0.00 H new ATOM 0 HA SER A 26 2.555 -10.824 -9.737 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.596 -9.975 -12.115 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.064 -10.875 -12.440 1.00 0.00 H new ATOM 0 HG SER A 26 2.137 -12.098 -13.022 1.00 0.00 H new ATOM 417 N ASN A 27 4.262 -13.061 -11.057 1.00 0.00 N ATOM 418 CA ASN A 27 4.899 -14.388 -10.871 1.00 0.00 C ATOM 419 C ASN A 27 5.414 -14.928 -12.205 1.00 0.00 C ATOM 420 O ASN A 27 6.510 -15.444 -12.287 1.00 0.00 O ATOM 421 CB ASN A 27 3.844 -15.358 -10.320 1.00 0.00 C ATOM 422 CG ASN A 27 4.537 -16.632 -9.842 1.00 0.00 C ATOM 423 OD1 ASN A 27 4.796 -17.537 -10.610 1.00 0.00 O ATOM 424 ND2 ASN A 27 4.855 -16.745 -8.582 1.00 0.00 N ATOM 0 H ASN A 27 3.956 -12.855 -12.008 1.00 0.00 H new ATOM 0 HA ASN A 27 5.738 -14.290 -10.183 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.300 -14.894 -9.497 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.112 -15.595 -11.092 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.318 -17.590 -8.247 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.640 -15.989 -7.932 1.00 0.00 H new ATOM 431 N ARG A 28 4.606 -14.800 -13.226 1.00 0.00 N ATOM 432 CA ARG A 28 5.029 -15.300 -14.564 1.00 0.00 C ATOM 433 C ARG A 28 6.325 -14.633 -14.995 1.00 0.00 C ATOM 434 O ARG A 28 6.916 -14.988 -16.005 1.00 0.00 O ATOM 435 CB ARG A 28 3.934 -14.941 -15.581 1.00 0.00 C ATOM 436 CG ARG A 28 2.743 -15.879 -15.392 1.00 0.00 C ATOM 437 CD ARG A 28 2.837 -17.017 -16.407 1.00 0.00 C ATOM 438 NE ARG A 28 2.269 -18.251 -15.799 1.00 0.00 N ATOM 439 CZ ARG A 28 0.982 -18.444 -15.830 1.00 0.00 C ATOM 440 NH1 ARG A 28 0.188 -17.426 -15.643 1.00 0.00 N ATOM 441 NH2 ARG A 28 0.530 -19.649 -16.044 1.00 0.00 N ATOM 0 H ARG A 28 3.680 -14.374 -13.190 1.00 0.00 H new ATOM 0 HA ARG A 28 5.183 -16.378 -14.514 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.621 -13.906 -15.446 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.322 -15.027 -16.596 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.737 -16.279 -14.378 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.809 -15.333 -15.525 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.292 -16.759 -17.315 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.876 -17.182 -16.694 1.00 0.00 H new ATOM 0 HE ARG A 28 2.882 -18.939 -15.362 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.578 -16.499 -15.476 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.823 -17.557 -15.664 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.182 -20.421 -16.184 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.475 -19.819 -16.072 1.00 0.00 H new ATOM 455 N ASP A 29 6.745 -13.680 -14.218 1.00 0.00 N ATOM 456 CA ASP A 29 7.994 -12.960 -14.544 1.00 0.00 C ATOM 457 C ASP A 29 9.197 -13.908 -14.543 1.00 0.00 C ATOM 458 O ASP A 29 10.328 -13.466 -14.505 1.00 0.00 O ATOM 459 CB ASP A 29 8.202 -11.875 -13.466 1.00 0.00 C ATOM 460 CG ASP A 29 9.028 -12.448 -12.308 1.00 0.00 C ATOM 461 OD1 ASP A 29 8.524 -13.372 -11.689 1.00 0.00 O ATOM 462 OD2 ASP A 29 10.114 -11.929 -12.109 1.00 0.00 O ATOM 0 H ASP A 29 6.273 -13.370 -13.369 1.00 0.00 H new ATOM 0 HA ASP A 29 7.913 -12.524 -15.539 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.712 -11.013 -13.897 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.238 -11.524 -13.099 1.00 0.00 H new ATOM 467 N LYS A 30 8.925 -15.197 -14.590 1.00 0.00 N ATOM 468 CA LYS A 30 10.035 -16.191 -14.592 1.00 0.00 C ATOM 469 C LYS A 30 10.135 -16.926 -15.929 1.00 0.00 C ATOM 470 O LYS A 30 10.931 -17.834 -16.069 1.00 0.00 O ATOM 471 CB LYS A 30 9.753 -17.226 -13.493 1.00 0.00 C ATOM 472 CG LYS A 30 10.102 -16.624 -12.131 1.00 0.00 C ATOM 473 CD LYS A 30 9.544 -17.522 -11.026 1.00 0.00 C ATOM 474 CE LYS A 30 10.501 -18.695 -10.804 1.00 0.00 C ATOM 475 NZ LYS A 30 11.756 -18.228 -10.148 1.00 0.00 N ATOM 0 H LYS A 30 7.986 -15.594 -14.627 1.00 0.00 H new ATOM 0 HA LYS A 30 10.972 -15.662 -14.421 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.704 -17.521 -13.515 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.341 -18.127 -13.667 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.183 -16.530 -12.028 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.685 -15.621 -12.046 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.425 -16.954 -10.104 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.556 -17.890 -11.303 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.020 -19.452 -10.185 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.736 -19.166 -11.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.210 -19.026 -9.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.404 -17.848 -10.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.531 -17.483 -9.458 1.00 0.00 H new ATOM 489 N GLU A 31 9.328 -16.530 -16.890 1.00 0.00 N ATOM 490 CA GLU A 31 9.389 -17.220 -18.218 1.00 0.00 C ATOM 491 C GLU A 31 9.204 -16.249 -19.372 1.00 0.00 C ATOM 492 O GLU A 31 9.605 -16.528 -20.484 1.00 0.00 O ATOM 493 CB GLU A 31 8.265 -18.266 -18.282 1.00 0.00 C ATOM 494 CG GLU A 31 7.003 -17.706 -17.621 1.00 0.00 C ATOM 495 CD GLU A 31 5.971 -18.828 -17.478 1.00 0.00 C ATOM 496 OE1 GLU A 31 6.310 -19.793 -16.814 1.00 0.00 O ATOM 497 OE2 GLU A 31 4.904 -18.657 -18.043 1.00 0.00 O ATOM 0 H GLU A 31 8.645 -15.776 -16.814 1.00 0.00 H new ATOM 0 HA GLU A 31 10.372 -17.681 -18.312 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.058 -18.529 -19.319 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.577 -19.181 -17.777 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.244 -17.290 -16.643 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.594 -16.893 -18.221 1.00 0.00 H new ATOM 504 N THR A 32 8.606 -15.130 -19.101 1.00 0.00 N ATOM 505 CA THR A 32 8.399 -14.152 -20.193 1.00 0.00 C ATOM 506 C THR A 32 8.215 -12.747 -19.646 1.00 0.00 C ATOM 507 O THR A 32 7.460 -12.539 -18.718 1.00 0.00 O ATOM 508 CB THR A 32 7.125 -14.555 -20.952 1.00 0.00 C ATOM 509 OG1 THR A 32 7.190 -13.866 -22.185 1.00 0.00 O ATOM 510 CG2 THR A 32 5.871 -13.994 -20.263 1.00 0.00 C ATOM 0 H THR A 32 8.256 -14.853 -18.184 1.00 0.00 H new ATOM 0 HA THR A 32 9.273 -14.154 -20.844 1.00 0.00 H new ATOM 0 HB THR A 32 7.067 -15.641 -21.020 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.400 -14.083 -22.723 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.984 -14.294 -20.821 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.809 -14.383 -19.247 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.929 -12.906 -20.232 1.00 0.00 H new ATOM 518 N LYS A 33 8.918 -11.799 -20.221 1.00 0.00 N ATOM 519 CA LYS A 33 8.772 -10.413 -19.729 1.00 0.00 C ATOM 520 C LYS A 33 7.297 -10.100 -19.603 1.00 0.00 C ATOM 521 O LYS A 33 6.606 -9.972 -20.593 1.00 0.00 O ATOM 522 CB LYS A 33 9.412 -9.451 -20.746 1.00 0.00 C ATOM 523 CG LYS A 33 9.944 -8.218 -20.005 1.00 0.00 C ATOM 524 CD LYS A 33 10.885 -7.441 -20.930 1.00 0.00 C ATOM 525 CE LYS A 33 11.576 -6.331 -20.130 1.00 0.00 C ATOM 526 NZ LYS A 33 12.957 -6.744 -19.753 1.00 0.00 N ATOM 0 H LYS A 33 9.571 -11.931 -20.993 1.00 0.00 H new ATOM 0 HA LYS A 33 9.261 -10.300 -18.761 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.223 -9.950 -21.276 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.678 -9.152 -21.494 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.116 -7.582 -19.692 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.472 -8.522 -19.101 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.628 -8.113 -21.360 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.325 -7.012 -21.761 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.612 -5.416 -20.722 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.999 -6.108 -19.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.412 -5.981 -19.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.915 -7.605 -19.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.509 -6.935 -20.613 1.00 0.00 H new ATOM 540 N VAL A 34 6.839 -9.977 -18.391 1.00 0.00 N ATOM 541 CA VAL A 34 5.403 -9.675 -18.184 1.00 0.00 C ATOM 542 C VAL A 34 5.154 -8.197 -17.927 1.00 0.00 C ATOM 543 O VAL A 34 5.831 -7.567 -17.137 1.00 0.00 O ATOM 544 CB VAL A 34 4.918 -10.481 -16.959 1.00 0.00 C ATOM 545 CG1 VAL A 34 5.803 -10.170 -15.755 1.00 0.00 C ATOM 546 CG2 VAL A 34 3.478 -10.089 -16.630 1.00 0.00 C ATOM 0 H VAL A 34 7.395 -10.072 -17.541 1.00 0.00 H new ATOM 0 HA VAL A 34 4.862 -9.946 -19.090 1.00 0.00 H new ATOM 0 HB VAL A 34 4.970 -11.545 -17.188 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.458 -10.740 -14.893 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.834 -10.442 -15.981 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.750 -9.105 -15.530 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.135 -10.657 -15.766 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.433 -9.023 -16.405 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.837 -10.306 -17.485 1.00 0.00 H new ATOM 556 N PHE A 35 4.172 -7.674 -18.616 1.00 0.00 N ATOM 557 CA PHE A 35 3.823 -6.251 -18.458 1.00 0.00 C ATOM 558 C PHE A 35 2.668 -6.145 -17.483 1.00 0.00 C ATOM 559 O PHE A 35 1.958 -7.122 -17.271 1.00 0.00 O ATOM 560 CB PHE A 35 3.378 -5.685 -19.825 1.00 0.00 C ATOM 561 CG PHE A 35 4.609 -5.351 -20.682 1.00 0.00 C ATOM 562 CD1 PHE A 35 5.838 -5.935 -20.420 1.00 0.00 C ATOM 563 CD2 PHE A 35 4.506 -4.451 -21.733 1.00 0.00 C ATOM 564 CE1 PHE A 35 6.938 -5.624 -21.192 1.00 0.00 C ATOM 565 CE2 PHE A 35 5.609 -4.145 -22.502 1.00 0.00 C ATOM 566 CZ PHE A 35 6.823 -4.730 -22.231 1.00 0.00 C ATOM 0 H PHE A 35 3.598 -8.186 -19.285 1.00 0.00 H new ATOM 0 HA PHE A 35 4.683 -5.691 -18.090 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.751 -6.412 -20.342 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.774 -4.790 -19.678 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.935 -6.638 -19.606 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.555 -3.987 -21.950 1.00 0.00 H new ATOM 0 HE1 PHE A 35 7.892 -6.084 -20.980 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.519 -3.444 -23.319 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.686 -4.488 -22.833 1.00 0.00 H new ATOM 576 N TYR A 36 2.473 -4.970 -16.919 1.00 0.00 N ATOM 577 CA TYR A 36 1.354 -4.813 -15.943 1.00 0.00 C ATOM 578 C TYR A 36 0.253 -3.870 -16.395 1.00 0.00 C ATOM 579 O TYR A 36 0.406 -3.089 -17.309 1.00 0.00 O ATOM 580 CB TYR A 36 1.952 -4.266 -14.652 1.00 0.00 C ATOM 581 CG TYR A 36 2.605 -5.418 -13.912 1.00 0.00 C ATOM 582 CD1 TYR A 36 1.835 -6.315 -13.213 1.00 0.00 C ATOM 583 CD2 TYR A 36 3.968 -5.596 -13.958 1.00 0.00 C ATOM 584 CE1 TYR A 36 2.416 -7.378 -12.569 1.00 0.00 C ATOM 585 CE2 TYR A 36 4.552 -6.659 -13.315 1.00 0.00 C ATOM 586 CZ TYR A 36 3.784 -7.562 -12.615 1.00 0.00 C ATOM 587 OH TYR A 36 4.374 -8.633 -11.980 1.00 0.00 O ATOM 0 H TYR A 36 3.030 -4.133 -17.091 1.00 0.00 H new ATOM 0 HA TYR A 36 0.888 -5.791 -15.826 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.685 -3.489 -14.871 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.177 -3.809 -14.037 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.764 -6.183 -13.170 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.583 -4.895 -14.503 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.799 -8.076 -12.022 1.00 0.00 H new ATOM 0 HE2 TYR A 36 5.623 -6.788 -13.359 1.00 0.00 H new ATOM 0 HH TYR A 36 5.349 -8.543 -12.024 1.00 0.00 H new ATOM 597 N SER A 37 -0.851 -3.990 -15.704 1.00 0.00 N ATOM 598 CA SER A 37 -2.041 -3.159 -15.985 1.00 0.00 C ATOM 599 C SER A 37 -2.830 -3.018 -14.689 1.00 0.00 C ATOM 600 O SER A 37 -2.754 -3.885 -13.838 1.00 0.00 O ATOM 601 CB SER A 37 -2.911 -3.879 -17.032 1.00 0.00 C ATOM 602 OG SER A 37 -2.582 -3.240 -18.257 1.00 0.00 O ATOM 0 H SER A 37 -0.972 -4.651 -14.936 1.00 0.00 H new ATOM 0 HA SER A 37 -1.750 -2.179 -16.362 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.690 -4.946 -17.067 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.972 -3.780 -16.804 1.00 0.00 H new ATOM 0 HG SER A 37 -1.623 -3.039 -18.274 1.00 0.00 H new ATOM 608 N ILE A 38 -3.565 -1.946 -14.543 1.00 0.00 N ATOM 609 CA ILE A 38 -4.346 -1.776 -13.282 1.00 0.00 C ATOM 610 C ILE A 38 -5.726 -1.192 -13.535 1.00 0.00 C ATOM 611 O ILE A 38 -5.932 -0.437 -14.465 1.00 0.00 O ATOM 612 CB ILE A 38 -3.561 -0.833 -12.371 1.00 0.00 C ATOM 613 CG1 ILE A 38 -4.472 -0.285 -11.257 1.00 0.00 C ATOM 614 CG2 ILE A 38 -3.003 0.323 -13.229 1.00 0.00 C ATOM 615 CD1 ILE A 38 -5.163 1.022 -11.691 1.00 0.00 C ATOM 0 H ILE A 38 -3.658 -1.195 -15.227 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.488 -2.755 -12.824 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.740 -1.371 -11.898 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.226 -1.030 -11.001 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.883 -0.106 -10.358 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.439 1.007 -12.595 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.347 -0.080 -14.001 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.828 0.859 -13.698 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.799 1.383 -10.883 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.408 1.773 -11.922 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.772 0.835 -12.576 1.00 0.00 H new ATOM 627 N THR A 39 -6.650 -1.560 -12.688 1.00 0.00 N ATOM 628 CA THR A 39 -8.032 -1.053 -12.835 1.00 0.00 C ATOM 629 C THR A 39 -8.761 -1.104 -11.496 1.00 0.00 C ATOM 630 O THR A 39 -8.355 -1.818 -10.598 1.00 0.00 O ATOM 631 CB THR A 39 -8.767 -1.951 -13.834 1.00 0.00 C ATOM 632 OG1 THR A 39 -10.071 -1.415 -13.933 1.00 0.00 O ATOM 633 CG2 THR A 39 -8.969 -3.359 -13.255 1.00 0.00 C ATOM 0 H THR A 39 -6.500 -2.192 -11.901 1.00 0.00 H new ATOM 0 HA THR A 39 -8.007 -0.020 -13.183 1.00 0.00 H new ATOM 0 HB THR A 39 -8.208 -1.999 -14.768 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.029 -0.525 -14.341 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.493 -3.980 -13.982 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.999 -3.803 -13.031 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.558 -3.295 -12.340 1.00 0.00 H new ATOM 641 N GLY A 40 -9.819 -0.337 -11.385 1.00 0.00 N ATOM 642 CA GLY A 40 -10.599 -0.323 -10.104 1.00 0.00 C ATOM 643 C GLY A 40 -10.546 1.063 -9.453 1.00 0.00 C ATOM 644 O GLY A 40 -10.116 2.026 -10.064 1.00 0.00 O ATOM 0 H GLY A 40 -10.175 0.276 -12.119 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.635 -0.599 -10.300 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.195 -1.068 -9.418 1.00 0.00 H new ATOM 648 N GLN A 41 -10.982 1.136 -8.221 1.00 0.00 N ATOM 649 CA GLN A 41 -10.963 2.443 -7.521 1.00 0.00 C ATOM 650 C GLN A 41 -9.599 3.099 -7.663 1.00 0.00 C ATOM 651 O GLN A 41 -8.591 2.511 -7.327 1.00 0.00 O ATOM 652 CB GLN A 41 -11.242 2.205 -6.025 1.00 0.00 C ATOM 653 CG GLN A 41 -11.162 3.543 -5.283 1.00 0.00 C ATOM 654 CD GLN A 41 -11.259 3.304 -3.775 1.00 0.00 C ATOM 655 OE1 GLN A 41 -10.841 2.283 -3.269 1.00 0.00 O ATOM 656 NE2 GLN A 41 -11.801 4.224 -3.023 1.00 0.00 N ATOM 0 H GLN A 41 -11.346 0.352 -7.679 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.720 3.094 -7.958 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -12.228 1.759 -5.892 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.517 1.503 -5.614 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.225 4.046 -5.521 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -11.969 4.199 -5.609 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.154 5.084 -3.443 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.872 4.083 -2.015 1.00 0.00 H new ATOM 665 N GLY A 42 -9.594 4.311 -8.158 1.00 0.00 N ATOM 666 CA GLY A 42 -8.296 5.032 -8.333 1.00 0.00 C ATOM 667 C GLY A 42 -7.906 5.064 -9.810 1.00 0.00 C ATOM 668 O GLY A 42 -6.964 5.737 -10.195 1.00 0.00 O ATOM 0 H GLY A 42 -10.424 4.829 -8.446 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.382 6.049 -7.950 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.516 4.538 -7.754 1.00 0.00 H new ATOM 672 N ALA A 43 -8.639 4.324 -10.604 1.00 0.00 N ATOM 673 CA ALA A 43 -8.347 4.283 -12.059 1.00 0.00 C ATOM 674 C ALA A 43 -9.637 4.387 -12.858 1.00 0.00 C ATOM 675 O ALA A 43 -9.903 5.396 -13.482 1.00 0.00 O ATOM 676 CB ALA A 43 -7.672 2.942 -12.384 1.00 0.00 C ATOM 0 H ALA A 43 -9.425 3.749 -10.302 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.697 5.118 -12.320 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.450 2.895 -13.450 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.746 2.854 -11.817 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.341 2.124 -12.116 1.00 0.00 H new ATOM 682 N ASP A 44 -10.423 3.340 -12.818 1.00 0.00 N ATOM 683 CA ASP A 44 -11.704 3.357 -13.570 1.00 0.00 C ATOM 684 C ASP A 44 -12.861 3.751 -12.657 1.00 0.00 C ATOM 685 O ASP A 44 -13.844 4.302 -13.107 1.00 0.00 O ATOM 686 CB ASP A 44 -11.967 1.948 -14.127 1.00 0.00 C ATOM 687 CG ASP A 44 -11.867 0.923 -12.994 1.00 0.00 C ATOM 688 OD1 ASP A 44 -11.577 1.361 -11.892 1.00 0.00 O ATOM 689 OD2 ASP A 44 -12.085 -0.239 -13.295 1.00 0.00 O ATOM 0 H ASP A 44 -10.231 2.483 -12.300 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.631 4.085 -14.378 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.956 1.905 -14.584 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.244 1.714 -14.908 1.00 0.00 H new ATOM 694 N LYS A 45 -12.716 3.457 -11.385 1.00 0.00 N ATOM 695 CA LYS A 45 -13.794 3.803 -10.412 1.00 0.00 C ATOM 696 C LYS A 45 -13.380 5.006 -9.553 1.00 0.00 C ATOM 697 O LYS A 45 -12.208 5.226 -9.308 1.00 0.00 O ATOM 698 CB LYS A 45 -14.021 2.590 -9.488 1.00 0.00 C ATOM 699 CG LYS A 45 -15.094 1.676 -10.097 1.00 0.00 C ATOM 700 CD LYS A 45 -14.582 0.237 -10.107 1.00 0.00 C ATOM 701 CE LYS A 45 -14.478 -0.273 -8.666 1.00 0.00 C ATOM 702 NZ LYS A 45 -15.455 -1.375 -8.438 1.00 0.00 N ATOM 0 H LYS A 45 -11.900 2.995 -10.983 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.703 4.056 -10.958 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.090 2.039 -9.358 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.333 2.926 -8.499 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.016 1.743 -9.519 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.330 1.998 -11.111 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.257 -0.397 -10.682 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.608 0.189 -10.593 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.466 -0.628 -8.470 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.670 0.543 -7.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.375 -1.713 -7.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.420 -1.024 -8.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.253 -2.159 -9.091 1.00 0.00 H new ATOM 716 N PRO A 46 -14.368 5.770 -9.105 1.00 0.00 N ATOM 717 CA PRO A 46 -14.113 6.949 -8.277 1.00 0.00 C ATOM 718 C PRO A 46 -13.284 6.588 -7.027 1.00 0.00 C ATOM 719 O PRO A 46 -13.639 5.681 -6.303 1.00 0.00 O ATOM 720 CB PRO A 46 -15.515 7.425 -7.832 1.00 0.00 C ATOM 721 CG PRO A 46 -16.563 6.489 -8.507 1.00 0.00 C ATOM 722 CD PRO A 46 -15.786 5.483 -9.369 1.00 0.00 C ATOM 0 HA PRO A 46 -13.552 7.705 -8.826 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -15.607 7.384 -6.747 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.680 8.461 -8.127 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -17.158 5.972 -7.754 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.256 7.066 -9.120 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.037 4.457 -9.101 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -16.023 5.603 -10.426 1.00 0.00 H new ATOM 730 N PRO A 47 -12.189 7.313 -6.783 1.00 0.00 N ATOM 731 CA PRO A 47 -11.712 8.411 -7.647 1.00 0.00 C ATOM 732 C PRO A 47 -11.232 7.898 -9.011 1.00 0.00 C ATOM 733 O PRO A 47 -10.330 7.090 -9.090 1.00 0.00 O ATOM 734 CB PRO A 47 -10.511 9.011 -6.886 1.00 0.00 C ATOM 735 CG PRO A 47 -10.302 8.164 -5.596 1.00 0.00 C ATOM 736 CD PRO A 47 -11.382 7.072 -5.587 1.00 0.00 C ATOM 0 HA PRO A 47 -12.510 9.127 -7.844 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -9.615 8.991 -7.507 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -10.700 10.054 -6.633 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.307 7.720 -5.585 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -10.382 8.791 -4.708 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -10.936 6.078 -5.608 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.991 7.129 -4.685 1.00 0.00 H new ATOM 744 N VAL A 48 -11.852 8.378 -10.055 1.00 0.00 N ATOM 745 CA VAL A 48 -11.454 7.939 -11.408 1.00 0.00 C ATOM 746 C VAL A 48 -10.219 8.696 -11.894 1.00 0.00 C ATOM 747 O VAL A 48 -10.255 9.899 -12.065 1.00 0.00 O ATOM 748 CB VAL A 48 -12.625 8.235 -12.365 1.00 0.00 C ATOM 749 CG1 VAL A 48 -12.089 8.355 -13.789 1.00 0.00 C ATOM 750 CG2 VAL A 48 -13.649 7.091 -12.305 1.00 0.00 C ATOM 0 H VAL A 48 -12.615 9.054 -10.022 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.215 6.876 -11.383 1.00 0.00 H new ATOM 0 HB VAL A 48 -13.108 9.166 -12.069 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -12.913 8.564 -14.471 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.363 9.166 -13.837 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.608 7.420 -14.077 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -14.475 7.306 -12.984 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -13.170 6.158 -12.601 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -14.030 6.997 -11.288 1.00 0.00 H new ATOM 760 N GLY A 49 -9.151 7.978 -12.107 1.00 0.00 N ATOM 761 CA GLY A 49 -7.905 8.643 -12.585 1.00 0.00 C ATOM 762 C GLY A 49 -7.080 9.193 -11.416 1.00 0.00 C ATOM 763 O GLY A 49 -7.160 10.362 -11.095 1.00 0.00 O ATOM 0 H GLY A 49 -9.086 6.969 -11.973 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.305 7.931 -13.152 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.162 9.455 -13.265 1.00 0.00 H new ATOM 767 N VAL A 50 -6.303 8.339 -10.806 1.00 0.00 N ATOM 768 CA VAL A 50 -5.472 8.802 -9.666 1.00 0.00 C ATOM 769 C VAL A 50 -4.174 8.010 -9.589 1.00 0.00 C ATOM 770 O VAL A 50 -3.143 8.552 -9.233 1.00 0.00 O ATOM 771 CB VAL A 50 -6.256 8.613 -8.365 1.00 0.00 C ATOM 772 CG1 VAL A 50 -5.282 8.656 -7.185 1.00 0.00 C ATOM 773 CG2 VAL A 50 -7.256 9.757 -8.226 1.00 0.00 C ATOM 0 H VAL A 50 -6.210 7.352 -11.047 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.230 9.855 -9.812 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.779 7.657 -8.378 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.832 8.522 -6.254 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.547 7.858 -7.290 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.772 9.619 -7.169 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.822 9.635 -7.303 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.721 10.707 -8.201 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.940 9.748 -9.075 1.00 0.00 H new ATOM 783 N PHE A 51 -4.253 6.731 -9.913 1.00 0.00 N ATOM 784 CA PHE A 51 -3.025 5.873 -9.869 1.00 0.00 C ATOM 785 C PHE A 51 -2.594 5.484 -11.278 1.00 0.00 C ATOM 786 O PHE A 51 -3.414 5.336 -12.163 1.00 0.00 O ATOM 787 CB PHE A 51 -3.333 4.566 -9.104 1.00 0.00 C ATOM 788 CG PHE A 51 -3.477 4.850 -7.615 1.00 0.00 C ATOM 789 CD1 PHE A 51 -4.689 5.258 -7.096 1.00 0.00 C ATOM 790 CD2 PHE A 51 -2.403 4.679 -6.759 1.00 0.00 C ATOM 791 CE1 PHE A 51 -4.827 5.491 -5.746 1.00 0.00 C ATOM 792 CE2 PHE A 51 -2.544 4.911 -5.410 1.00 0.00 C ATOM 793 CZ PHE A 51 -3.756 5.316 -4.905 1.00 0.00 C ATOM 0 H PHE A 51 -5.107 6.254 -10.202 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.235 6.440 -9.376 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.251 4.119 -9.487 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.534 3.843 -9.268 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.535 5.395 -7.753 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.449 4.362 -7.152 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.779 5.812 -5.348 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.702 4.775 -4.748 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.866 5.497 -3.846 1.00 0.00 H new ATOM 803 N ILE A 52 -1.313 5.330 -11.459 1.00 0.00 N ATOM 804 CA ILE A 52 -0.789 4.948 -12.797 1.00 0.00 C ATOM 805 C ILE A 52 0.348 3.952 -12.628 1.00 0.00 C ATOM 806 O ILE A 52 1.051 3.992 -11.641 1.00 0.00 O ATOM 807 CB ILE A 52 -0.264 6.202 -13.494 1.00 0.00 C ATOM 808 CG1 ILE A 52 0.494 7.060 -12.500 1.00 0.00 C ATOM 809 CG2 ILE A 52 -1.462 7.006 -14.024 1.00 0.00 C ATOM 810 CD1 ILE A 52 1.219 8.179 -13.252 1.00 0.00 C ATOM 0 H ILE A 52 -0.605 5.453 -10.735 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.582 4.494 -13.392 1.00 0.00 H new ATOM 0 HB ILE A 52 0.399 5.917 -14.310 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.194 7.484 -11.768 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.211 6.452 -11.949 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.104 7.905 -14.525 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.025 6.397 -14.731 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.108 7.287 -13.192 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.766 8.799 -12.542 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.917 7.744 -13.967 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.491 8.792 -13.783 1.00 0.00 H new ATOM 822 N ILE A 53 0.515 3.076 -13.590 1.00 0.00 N ATOM 823 CA ILE A 53 1.613 2.071 -13.477 1.00 0.00 C ATOM 824 C ILE A 53 2.344 1.883 -14.794 1.00 0.00 C ATOM 825 O ILE A 53 1.751 1.936 -15.854 1.00 0.00 O ATOM 826 CB ILE A 53 0.987 0.740 -13.071 1.00 0.00 C ATOM 827 CG1 ILE A 53 0.047 0.957 -11.903 1.00 0.00 C ATOM 828 CG2 ILE A 53 2.099 -0.224 -12.628 1.00 0.00 C ATOM 829 CD1 ILE A 53 -0.370 -0.401 -11.341 1.00 0.00 C ATOM 0 H ILE A 53 -0.053 3.015 -14.435 1.00 0.00 H new ATOM 0 HA ILE A 53 2.336 2.422 -12.740 1.00 0.00 H new ATOM 0 HB ILE A 53 0.439 0.326 -13.917 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.537 1.550 -11.131 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.831 1.517 -12.225 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.659 -1.178 -12.336 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.794 -0.382 -13.453 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.634 0.203 -11.780 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.047 -0.254 -10.499 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.875 -0.976 -12.117 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.514 -0.943 -11.005 1.00 0.00 H new ATOM 841 N GLU A 54 3.632 1.661 -14.703 1.00 0.00 N ATOM 842 CA GLU A 54 4.422 1.464 -15.945 1.00 0.00 C ATOM 843 C GLU A 54 4.225 0.052 -16.490 1.00 0.00 C ATOM 844 O GLU A 54 4.727 -0.907 -15.940 1.00 0.00 O ATOM 845 CB GLU A 54 5.910 1.674 -15.620 1.00 0.00 C ATOM 846 CG GLU A 54 6.420 2.894 -16.389 1.00 0.00 C ATOM 847 CD GLU A 54 6.499 2.557 -17.881 1.00 0.00 C ATOM 848 OE1 GLU A 54 6.765 1.400 -18.162 1.00 0.00 O ATOM 849 OE2 GLU A 54 6.290 3.477 -18.657 1.00 0.00 O ATOM 0 H GLU A 54 4.160 1.609 -13.832 1.00 0.00 H new ATOM 0 HA GLU A 54 4.088 2.178 -16.697 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.044 1.821 -14.548 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.484 0.789 -15.894 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.754 3.742 -16.231 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.402 3.187 -16.018 1.00 0.00 H new ATOM 856 N ARG A 55 3.496 -0.042 -17.566 1.00 0.00 N ATOM 857 CA ARG A 55 3.244 -1.370 -18.174 1.00 0.00 C ATOM 858 C ARG A 55 4.515 -2.208 -18.252 1.00 0.00 C ATOM 859 O ARG A 55 4.452 -3.416 -18.255 1.00 0.00 O ATOM 860 CB ARG A 55 2.728 -1.150 -19.607 1.00 0.00 C ATOM 861 CG ARG A 55 1.219 -0.912 -19.577 1.00 0.00 C ATOM 862 CD ARG A 55 0.748 -0.531 -20.981 1.00 0.00 C ATOM 863 NE ARG A 55 -0.167 0.640 -20.885 1.00 0.00 N ATOM 864 CZ ARG A 55 -1.181 0.594 -20.065 1.00 0.00 C ATOM 865 NH1 ARG A 55 -2.257 -0.050 -20.429 1.00 0.00 N ATOM 866 NH2 ARG A 55 -1.085 1.190 -18.908 1.00 0.00 N ATOM 0 H ARG A 55 3.065 0.746 -18.049 1.00 0.00 H new ATOM 0 HA ARG A 55 2.520 -1.900 -17.555 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.232 -0.296 -20.059 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.957 -2.019 -20.224 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.703 -1.810 -19.237 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.977 -0.118 -18.870 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.603 -0.290 -21.612 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.235 -1.372 -21.447 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.003 1.470 -21.455 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.295 -0.506 -21.341 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.060 -0.097 -19.802 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.227 1.682 -18.657 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.868 1.164 -18.255 1.00 0.00 H new ATOM 880 N GLU A 56 5.649 -1.555 -18.306 1.00 0.00 N ATOM 881 CA GLU A 56 6.926 -2.320 -18.387 1.00 0.00 C ATOM 882 C GLU A 56 7.545 -2.564 -17.013 1.00 0.00 C ATOM 883 O GLU A 56 7.606 -3.685 -16.548 1.00 0.00 O ATOM 884 CB GLU A 56 7.920 -1.503 -19.224 1.00 0.00 C ATOM 885 CG GLU A 56 7.490 -1.538 -20.690 1.00 0.00 C ATOM 886 CD GLU A 56 8.362 -0.571 -21.496 1.00 0.00 C ATOM 887 OE1 GLU A 56 9.560 -0.806 -21.508 1.00 0.00 O ATOM 888 OE2 GLU A 56 7.782 0.346 -22.052 1.00 0.00 O ATOM 0 H GLU A 56 5.744 -0.539 -18.298 1.00 0.00 H new ATOM 0 HA GLU A 56 6.711 -3.290 -18.835 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.954 -0.474 -18.867 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.925 -1.911 -19.118 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.587 -2.549 -21.085 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.440 -1.260 -20.780 1.00 0.00 H new ATOM 895 N THR A 57 7.995 -1.511 -16.390 1.00 0.00 N ATOM 896 CA THR A 57 8.616 -1.667 -15.049 1.00 0.00 C ATOM 897 C THR A 57 7.562 -1.801 -13.961 1.00 0.00 C ATOM 898 O THR A 57 7.874 -1.776 -12.789 1.00 0.00 O ATOM 899 CB THR A 57 9.462 -0.424 -14.768 1.00 0.00 C ATOM 900 OG1 THR A 57 8.536 0.605 -14.492 1.00 0.00 O ATOM 901 CG2 THR A 57 10.186 0.041 -16.039 1.00 0.00 C ATOM 0 H THR A 57 7.960 -0.557 -16.749 1.00 0.00 H new ATOM 0 HA THR A 57 9.224 -2.571 -15.045 1.00 0.00 H new ATOM 0 HB THR A 57 10.179 -0.637 -13.975 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.969 1.476 -14.615 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.781 0.926 -15.815 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.839 -0.755 -16.397 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.452 0.282 -16.808 1.00 0.00 H new ATOM 909 N GLY A 58 6.336 -1.946 -14.365 1.00 0.00 N ATOM 910 CA GLY A 58 5.244 -2.084 -13.359 1.00 0.00 C ATOM 911 C GLY A 58 5.416 -1.071 -12.219 1.00 0.00 C ATOM 912 O GLY A 58 4.825 -1.217 -11.168 1.00 0.00 O ATOM 0 H GLY A 58 6.040 -1.975 -15.341 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.279 -1.933 -13.842 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.243 -3.096 -12.954 1.00 0.00 H new ATOM 916 N TRP A 59 6.224 -0.066 -12.444 1.00 0.00 N ATOM 917 CA TRP A 59 6.427 0.945 -11.376 1.00 0.00 C ATOM 918 C TRP A 59 5.104 1.608 -11.029 1.00 0.00 C ATOM 919 O TRP A 59 4.487 2.236 -11.870 1.00 0.00 O ATOM 920 CB TRP A 59 7.398 2.026 -11.890 1.00 0.00 C ATOM 921 CG TRP A 59 8.749 1.885 -11.178 1.00 0.00 C ATOM 922 CD1 TRP A 59 9.905 1.697 -11.800 1.00 0.00 C ATOM 923 CD2 TRP A 59 8.917 1.948 -9.879 1.00 0.00 C ATOM 924 NE1 TRP A 59 10.802 1.649 -10.798 1.00 0.00 N ATOM 925 CE2 TRP A 59 10.250 1.800 -9.539 1.00 0.00 C ATOM 926 CE3 TRP A 59 7.973 2.135 -8.889 1.00 0.00 C ATOM 927 CZ2 TRP A 59 10.635 1.839 -8.215 1.00 0.00 C ATOM 928 CZ3 TRP A 59 8.362 2.174 -7.562 1.00 0.00 C ATOM 929 CH2 TRP A 59 9.693 2.027 -7.227 1.00 0.00 C ATOM 0 H TRP A 59 6.742 0.093 -13.308 1.00 0.00 H new ATOM 0 HA TRP A 59 6.832 0.455 -10.491 1.00 0.00 H new ATOM 0 HB2 TRP A 59 7.531 1.927 -12.967 1.00 0.00 H new ATOM 0 HB3 TRP A 59 6.983 3.018 -11.710 1.00 0.00 H new ATOM 0 HD1 TRP A 59 10.084 1.604 -12.861 1.00 0.00 H new ATOM 0 HE1 TRP A 59 11.801 1.513 -10.953 1.00 0.00 H new ATOM 0 HE3 TRP A 59 6.932 2.251 -9.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 11.676 1.722 -7.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 7.624 2.320 -6.787 1.00 0.00 H new ATOM 0 HH2 TRP A 59 9.996 2.059 -6.191 1.00 0.00 H new ATOM 940 N LEU A 60 4.682 1.451 -9.799 1.00 0.00 N ATOM 941 CA LEU A 60 3.395 2.070 -9.387 1.00 0.00 C ATOM 942 C LEU A 60 3.594 3.503 -8.942 1.00 0.00 C ATOM 943 O LEU A 60 4.257 3.762 -7.948 1.00 0.00 O ATOM 944 CB LEU A 60 2.804 1.284 -8.202 1.00 0.00 C ATOM 945 CG LEU A 60 1.276 1.225 -8.350 1.00 0.00 C ATOM 946 CD1 LEU A 60 0.658 0.608 -7.096 1.00 0.00 C ATOM 947 CD2 LEU A 60 0.730 2.646 -8.513 1.00 0.00 C ATOM 0 H LEU A 60 5.170 0.926 -9.073 1.00 0.00 H new ATOM 0 HA LEU A 60 2.725 2.048 -10.246 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.218 0.276 -8.175 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.072 1.764 -7.261 1.00 0.00 H new ATOM 0 HG LEU A 60 1.025 0.620 -9.221 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.426 0.569 -7.206 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.046 -0.401 -6.958 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.913 1.216 -6.228 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.354 2.609 -8.618 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.989 3.238 -7.636 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.166 3.103 -9.401 1.00 0.00 H new ATOM 959 N LYS A 61 3.016 4.407 -9.684 1.00 0.00 N ATOM 960 CA LYS A 61 3.141 5.837 -9.340 1.00 0.00 C ATOM 961 C LYS A 61 1.766 6.442 -9.180 1.00 0.00 C ATOM 962 O LYS A 61 0.805 5.939 -9.727 1.00 0.00 O ATOM 963 CB LYS A 61 3.890 6.554 -10.474 1.00 0.00 C ATOM 964 CG LYS A 61 4.848 5.565 -11.145 1.00 0.00 C ATOM 965 CD LYS A 61 5.821 6.334 -12.041 1.00 0.00 C ATOM 966 CE LYS A 61 5.109 6.719 -13.341 1.00 0.00 C ATOM 967 NZ LYS A 61 4.581 5.505 -14.027 1.00 0.00 N ATOM 0 H LYS A 61 2.461 4.208 -10.517 1.00 0.00 H new ATOM 0 HA LYS A 61 3.690 5.947 -8.405 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.182 6.946 -11.204 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.444 7.406 -10.079 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.397 5.003 -10.389 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.287 4.841 -11.735 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.177 7.228 -11.529 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.696 5.721 -12.259 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.291 7.406 -13.125 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.801 7.244 -14.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.587 5.657 -15.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.179 4.687 -13.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.607 5.323 -13.710 1.00 0.00 H new ATOM 981 N VAL A 62 1.690 7.504 -8.425 1.00 0.00 N ATOM 982 CA VAL A 62 0.369 8.162 -8.211 1.00 0.00 C ATOM 983 C VAL A 62 0.350 9.583 -8.750 1.00 0.00 C ATOM 984 O VAL A 62 1.322 10.310 -8.654 1.00 0.00 O ATOM 985 CB VAL A 62 0.094 8.204 -6.700 1.00 0.00 C ATOM 986 CG1 VAL A 62 0.476 6.856 -6.083 1.00 0.00 C ATOM 987 CG2 VAL A 62 0.936 9.311 -6.064 1.00 0.00 C ATOM 0 H VAL A 62 2.479 7.942 -7.950 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.392 7.591 -8.743 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.963 8.403 -6.522 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.283 6.879 -5.010 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.117 6.065 -6.541 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.535 6.663 -6.257 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.744 9.344 -4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.993 9.109 -6.237 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.672 10.270 -6.510 1.00 0.00 H new ATOM 997 N THR A 63 -0.763 9.947 -9.322 1.00 0.00 N ATOM 998 CA THR A 63 -0.893 11.306 -9.878 1.00 0.00 C ATOM 999 C THR A 63 -1.463 12.246 -8.825 1.00 0.00 C ATOM 1000 O THR A 63 -1.191 13.431 -8.835 1.00 0.00 O ATOM 1001 CB THR A 63 -1.853 11.253 -11.067 1.00 0.00 C ATOM 1002 OG1 THR A 63 -3.133 11.056 -10.503 1.00 0.00 O ATOM 1003 CG2 THR A 63 -1.607 9.994 -11.911 1.00 0.00 C ATOM 0 H THR A 63 -1.587 9.354 -9.425 1.00 0.00 H new ATOM 0 HA THR A 63 0.086 11.669 -10.190 1.00 0.00 H new ATOM 0 HB THR A 63 -1.738 12.150 -11.675 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.143 10.215 -10.000 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.301 9.978 -12.751 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.584 10.002 -12.286 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.761 9.108 -11.296 1.00 0.00 H new ATOM 1011 N GLN A 64 -2.261 11.688 -7.934 1.00 0.00 N ATOM 1012 CA GLN A 64 -2.875 12.520 -6.855 1.00 0.00 C ATOM 1013 C GLN A 64 -2.504 11.960 -5.461 1.00 0.00 C ATOM 1014 O GLN A 64 -2.474 10.759 -5.270 1.00 0.00 O ATOM 1015 CB GLN A 64 -4.405 12.461 -7.015 1.00 0.00 C ATOM 1016 CG GLN A 64 -4.780 12.902 -8.432 1.00 0.00 C ATOM 1017 CD GLN A 64 -6.027 13.787 -8.370 1.00 0.00 C ATOM 1018 OE1 GLN A 64 -6.128 14.680 -7.554 1.00 0.00 O ATOM 1019 NE2 GLN A 64 -6.998 13.573 -9.215 1.00 0.00 N ATOM 0 H GLN A 64 -2.508 10.699 -7.913 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.508 13.543 -6.935 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.763 11.448 -6.830 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.885 13.108 -6.281 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.954 13.449 -8.886 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.969 12.031 -9.059 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.919 12.824 -9.903 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.836 14.154 -9.187 1.00 0.00 H new ATOM 1028 N PRO A 65 -2.229 12.850 -4.505 1.00 0.00 N ATOM 1029 CA PRO A 65 -1.867 12.425 -3.148 1.00 0.00 C ATOM 1030 C PRO A 65 -3.014 11.666 -2.494 1.00 0.00 C ATOM 1031 O PRO A 65 -4.123 11.674 -2.993 1.00 0.00 O ATOM 1032 CB PRO A 65 -1.617 13.738 -2.373 1.00 0.00 C ATOM 1033 CG PRO A 65 -1.960 14.917 -3.332 1.00 0.00 C ATOM 1034 CD PRO A 65 -2.269 14.308 -4.711 1.00 0.00 C ATOM 0 HA PRO A 65 -1.001 11.763 -3.154 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.237 13.779 -1.477 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.579 13.799 -2.046 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.816 15.479 -2.959 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.125 15.614 -3.398 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.246 14.628 -5.073 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.535 14.621 -5.454 1.00 0.00 H new ATOM 1042 N LEU A 66 -2.737 11.020 -1.387 1.00 0.00 N ATOM 1043 CA LEU A 66 -3.819 10.265 -0.709 1.00 0.00 C ATOM 1044 C LEU A 66 -4.505 11.129 0.318 1.00 0.00 C ATOM 1045 O LEU A 66 -3.989 12.153 0.721 1.00 0.00 O ATOM 1046 CB LEU A 66 -3.214 9.046 0.005 1.00 0.00 C ATOM 1047 CG LEU A 66 -2.753 7.998 -1.022 1.00 0.00 C ATOM 1048 CD1 LEU A 66 -3.911 7.055 -1.332 1.00 0.00 C ATOM 1049 CD2 LEU A 66 -2.293 8.675 -2.320 1.00 0.00 C ATOM 0 H LEU A 66 -1.823 10.986 -0.935 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.546 9.951 -1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.370 9.358 0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.952 8.607 0.677 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.915 7.442 -0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.589 6.310 -2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.228 6.555 -0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.745 7.625 -1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.971 7.915 -3.032 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.119 9.245 -2.746 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.462 9.346 -2.105 1.00 0.00 H new ATOM 1061 N ASP A 67 -5.663 10.699 0.716 1.00 0.00 N ATOM 1062 CA ASP A 67 -6.431 11.476 1.731 1.00 0.00 C ATOM 1063 C ASP A 67 -7.021 10.559 2.796 1.00 0.00 C ATOM 1064 O ASP A 67 -8.105 10.038 2.640 1.00 0.00 O ATOM 1065 CB ASP A 67 -7.574 12.206 1.017 1.00 0.00 C ATOM 1066 CG ASP A 67 -8.381 12.984 2.049 1.00 0.00 C ATOM 1067 OD1 ASP A 67 -8.018 12.874 3.207 1.00 0.00 O ATOM 1068 OD2 ASP A 67 -9.314 13.647 1.624 1.00 0.00 O ATOM 0 H ASP A 67 -6.114 9.846 0.386 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.758 12.181 2.219 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.176 12.883 0.261 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.213 11.491 0.499 1.00 0.00 H new ATOM 1073 N ARG A 68 -6.298 10.395 3.870 1.00 0.00 N ATOM 1074 CA ARG A 68 -6.792 9.519 4.962 1.00 0.00 C ATOM 1075 C ARG A 68 -8.199 9.918 5.409 1.00 0.00 C ATOM 1076 O ARG A 68 -8.939 9.101 5.920 1.00 0.00 O ATOM 1077 CB ARG A 68 -5.837 9.653 6.160 1.00 0.00 C ATOM 1078 CG ARG A 68 -5.824 8.335 6.939 1.00 0.00 C ATOM 1079 CD ARG A 68 -5.755 8.636 8.439 1.00 0.00 C ATOM 1080 NE ARG A 68 -7.060 9.212 8.876 1.00 0.00 N ATOM 1081 CZ ARG A 68 -7.590 8.819 10.004 1.00 0.00 C ATOM 1082 NH1 ARG A 68 -8.026 7.593 10.104 1.00 0.00 N ATOM 1083 NH2 ARG A 68 -7.667 9.667 10.994 1.00 0.00 N ATOM 0 H ARG A 68 -5.390 10.829 4.035 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.829 8.493 4.595 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.832 9.896 5.815 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.158 10.469 6.807 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.720 7.757 6.713 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.969 7.729 6.638 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.539 7.725 8.997 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.946 9.336 8.646 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.535 9.907 8.299 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.950 6.958 9.309 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.443 7.269 10.977 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.317 10.618 10.879 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.078 9.378 11.882 1.00 0.00 H new ATOM 1097 N GLU A 69 -8.550 11.166 5.213 1.00 0.00 N ATOM 1098 CA GLU A 69 -9.910 11.607 5.631 1.00 0.00 C ATOM 1099 C GLU A 69 -10.973 11.084 4.670 1.00 0.00 C ATOM 1100 O GLU A 69 -12.109 10.879 5.051 1.00 0.00 O ATOM 1101 CB GLU A 69 -9.954 13.146 5.639 1.00 0.00 C ATOM 1102 CG GLU A 69 -9.208 13.660 6.870 1.00 0.00 C ATOM 1103 CD GLU A 69 -9.920 13.170 8.133 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -11.117 12.959 8.034 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -9.226 13.033 9.128 1.00 0.00 O ATOM 0 H GLU A 69 -7.963 11.884 4.789 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.116 11.211 6.625 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.498 13.540 4.731 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.987 13.493 5.653 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.177 13.306 6.859 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.171 14.749 6.859 1.00 0.00 H new ATOM 1112 N ALA A 70 -10.586 10.877 3.440 1.00 0.00 N ATOM 1113 CA ALA A 70 -11.562 10.367 2.443 1.00 0.00 C ATOM 1114 C ALA A 70 -11.469 8.854 2.350 1.00 0.00 C ATOM 1115 O ALA A 70 -12.459 8.157 2.453 1.00 0.00 O ATOM 1116 CB ALA A 70 -11.221 10.970 1.071 1.00 0.00 C ATOM 0 H ALA A 70 -9.643 11.038 3.087 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.571 10.647 2.746 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.929 10.605 0.327 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.281 12.057 1.126 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.211 10.676 0.785 1.00 0.00 H new ATOM 1122 N ILE A 71 -10.271 8.378 2.158 1.00 0.00 N ATOM 1123 CA ILE A 71 -10.061 6.918 2.052 1.00 0.00 C ATOM 1124 C ILE A 71 -8.771 6.525 2.764 1.00 0.00 C ATOM 1125 O ILE A 71 -7.700 6.955 2.388 1.00 0.00 O ATOM 1126 CB ILE A 71 -9.940 6.554 0.566 1.00 0.00 C ATOM 1127 CG1 ILE A 71 -11.289 6.722 -0.120 1.00 0.00 C ATOM 1128 CG2 ILE A 71 -9.513 5.081 0.452 1.00 0.00 C ATOM 1129 CD1 ILE A 71 -11.073 6.885 -1.628 1.00 0.00 C ATOM 0 H ILE A 71 -9.427 8.945 2.070 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.898 6.392 2.511 1.00 0.00 H new ATOM 0 HB ILE A 71 -9.206 7.206 0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.921 5.856 0.077 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -11.808 7.593 0.281 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -9.423 4.809 -0.600 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.552 4.942 0.946 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.261 4.447 0.928 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.037 7.006 -2.123 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -10.457 7.765 -1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -10.571 6.001 -2.021 1.00 0.00 H new ATOM 1141 N ALA A 72 -8.893 5.729 3.787 1.00 0.00 N ATOM 1142 CA ALA A 72 -7.676 5.309 4.523 1.00 0.00 C ATOM 1143 C ALA A 72 -7.104 4.037 3.923 1.00 0.00 C ATOM 1144 O ALA A 72 -6.096 3.535 4.372 1.00 0.00 O ATOM 1145 CB ALA A 72 -8.059 5.036 5.985 1.00 0.00 C ATOM 0 H ALA A 72 -9.774 5.355 4.141 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.928 6.099 4.458 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.174 4.726 6.541 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.467 5.944 6.430 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.808 4.245 6.023 1.00 0.00 H new ATOM 1151 N LYS A 73 -7.768 3.532 2.925 1.00 0.00 N ATOM 1152 CA LYS A 73 -7.282 2.292 2.278 1.00 0.00 C ATOM 1153 C LYS A 73 -7.906 2.138 0.894 1.00 0.00 C ATOM 1154 O LYS A 73 -9.111 2.044 0.761 1.00 0.00 O ATOM 1155 CB LYS A 73 -7.687 1.105 3.167 1.00 0.00 C ATOM 1156 CG LYS A 73 -7.243 -0.208 2.515 1.00 0.00 C ATOM 1157 CD LYS A 73 -8.368 -1.239 2.652 1.00 0.00 C ATOM 1158 CE LYS A 73 -8.462 -1.693 4.113 1.00 0.00 C ATOM 1159 NZ LYS A 73 -9.418 -0.833 4.869 1.00 0.00 N ATOM 0 H LYS A 73 -8.623 3.925 2.532 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.199 2.331 2.161 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.231 1.205 4.152 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.767 1.101 3.314 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.008 -0.045 1.463 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.335 -0.577 2.992 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.315 -0.805 2.332 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.174 -2.094 2.005 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.787 -2.733 4.156 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.477 -1.647 4.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.845 -1.384 5.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.911 -0.017 5.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.165 -0.498 4.228 1.00 0.00 H new ATOM 1173 N TYR A 74 -7.069 2.108 -0.112 1.00 0.00 N ATOM 1174 CA TYR A 74 -7.587 1.963 -1.498 1.00 0.00 C ATOM 1175 C TYR A 74 -7.472 0.526 -2.002 1.00 0.00 C ATOM 1176 O TYR A 74 -6.481 -0.149 -1.769 1.00 0.00 O ATOM 1177 CB TYR A 74 -6.743 2.858 -2.427 1.00 0.00 C ATOM 1178 CG TYR A 74 -6.953 4.333 -2.070 1.00 0.00 C ATOM 1179 CD1 TYR A 74 -6.582 4.814 -0.833 1.00 0.00 C ATOM 1180 CD2 TYR A 74 -7.506 5.207 -2.986 1.00 0.00 C ATOM 1181 CE1 TYR A 74 -6.759 6.143 -0.516 1.00 0.00 C ATOM 1182 CE2 TYR A 74 -7.681 6.539 -2.667 1.00 0.00 C ATOM 1183 CZ TYR A 74 -7.308 7.015 -1.428 1.00 0.00 C ATOM 1184 OH TYR A 74 -7.478 8.348 -1.105 1.00 0.00 O ATOM 0 H TYR A 74 -6.055 2.178 -0.030 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.639 2.248 -1.498 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.688 2.600 -2.334 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.023 2.684 -3.466 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.149 4.143 -0.106 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.804 4.846 -3.959 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.464 6.504 0.458 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.113 7.212 -3.393 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.878 8.820 -1.865 1.00 0.00 H new ATOM 1194 N ILE A 75 -8.500 0.092 -2.690 1.00 0.00 N ATOM 1195 CA ILE A 75 -8.506 -1.289 -3.238 1.00 0.00 C ATOM 1196 C ILE A 75 -8.235 -1.233 -4.732 1.00 0.00 C ATOM 1197 O ILE A 75 -8.908 -0.515 -5.447 1.00 0.00 O ATOM 1198 CB ILE A 75 -9.893 -1.895 -3.017 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -10.281 -1.782 -1.550 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -9.845 -3.385 -3.400 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -11.636 -2.462 -1.338 1.00 0.00 C ATOM 0 H ILE A 75 -9.335 0.641 -2.893 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.743 -1.890 -2.743 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.623 -1.363 -3.627 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.523 -2.251 -0.923 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -10.336 -0.734 -1.255 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -10.828 -3.832 -3.248 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.561 -3.482 -4.448 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -9.113 -3.898 -2.776 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.921 -2.385 -0.289 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -12.389 -1.973 -1.956 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -11.564 -3.513 -1.619 1.00 0.00 H new ATOM 1213 N LEU A 76 -7.258 -1.985 -5.181 1.00 0.00 N ATOM 1214 CA LEU A 76 -6.936 -1.974 -6.643 1.00 0.00 C ATOM 1215 C LEU A 76 -6.927 -3.374 -7.236 1.00 0.00 C ATOM 1216 O LEU A 76 -6.722 -4.342 -6.543 1.00 0.00 O ATOM 1217 CB LEU A 76 -5.527 -1.366 -6.798 1.00 0.00 C ATOM 1218 CG LEU A 76 -5.538 -0.289 -7.888 1.00 0.00 C ATOM 1219 CD1 LEU A 76 -6.601 0.765 -7.559 1.00 0.00 C ATOM 1220 CD2 LEU A 76 -4.163 0.385 -7.934 1.00 0.00 C ATOM 0 H LEU A 76 -6.677 -2.597 -4.608 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.697 -1.397 -7.168 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.202 -0.934 -5.851 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.811 -2.147 -7.054 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.765 -0.746 -8.851 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.607 1.530 -8.335 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.581 0.290 -7.509 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.372 1.225 -6.598 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.160 1.154 -8.707 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.949 0.841 -6.968 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.400 -0.360 -8.160 1.00 0.00 H new ATOM 1232 N TYR A 77 -7.171 -3.439 -8.524 1.00 0.00 N ATOM 1233 CA TYR A 77 -7.186 -4.753 -9.225 1.00 0.00 C ATOM 1234 C TYR A 77 -6.140 -4.727 -10.324 1.00 0.00 C ATOM 1235 O TYR A 77 -6.216 -3.914 -11.226 1.00 0.00 O ATOM 1236 CB TYR A 77 -8.576 -4.972 -9.847 1.00 0.00 C ATOM 1237 CG TYR A 77 -9.601 -5.181 -8.726 1.00 0.00 C ATOM 1238 CD1 TYR A 77 -10.159 -4.099 -8.077 1.00 0.00 C ATOM 1239 CD2 TYR A 77 -9.978 -6.456 -8.348 1.00 0.00 C ATOM 1240 CE1 TYR A 77 -11.079 -4.286 -7.064 1.00 0.00 C ATOM 1241 CE2 TYR A 77 -10.898 -6.641 -7.334 1.00 0.00 C ATOM 1242 CZ TYR A 77 -11.455 -5.557 -6.685 1.00 0.00 C ATOM 1243 OH TYR A 77 -12.373 -5.744 -5.671 1.00 0.00 O ATOM 0 H TYR A 77 -7.361 -2.632 -9.118 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.969 -5.559 -8.524 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.855 -4.112 -10.456 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.560 -5.839 -10.508 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.874 -3.097 -8.363 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.551 -7.313 -8.848 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.507 -3.429 -6.565 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -11.184 -7.642 -7.047 1.00 0.00 H new ATOM 0 HH TYR A 77 -12.521 -6.703 -5.537 1.00 0.00 H new ATOM 1253 N SER A 78 -5.181 -5.619 -10.239 1.00 0.00 N ATOM 1254 CA SER A 78 -4.116 -5.647 -11.278 1.00 0.00 C ATOM 1255 C SER A 78 -4.261 -6.808 -12.254 1.00 0.00 C ATOM 1256 O SER A 78 -4.910 -7.810 -11.974 1.00 0.00 O ATOM 1257 CB SER A 78 -2.765 -5.781 -10.563 1.00 0.00 C ATOM 1258 OG SER A 78 -2.664 -7.165 -10.259 1.00 0.00 O ATOM 0 H SER A 78 -5.094 -6.319 -9.502 1.00 0.00 H new ATOM 0 HA SER A 78 -4.193 -4.727 -11.858 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.944 -5.453 -11.200 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.731 -5.172 -9.660 1.00 0.00 H new ATOM 0 HG SER A 78 -1.817 -7.337 -9.797 1.00 0.00 H new ATOM 1264 N HIS A 79 -3.631 -6.631 -13.392 1.00 0.00 N ATOM 1265 CA HIS A 79 -3.663 -7.659 -14.458 1.00 0.00 C ATOM 1266 C HIS A 79 -2.273 -7.765 -15.089 1.00 0.00 C ATOM 1267 O HIS A 79 -1.543 -6.792 -15.117 1.00 0.00 O ATOM 1268 CB HIS A 79 -4.668 -7.205 -15.533 1.00 0.00 C ATOM 1269 CG HIS A 79 -6.001 -6.863 -14.867 1.00 0.00 C ATOM 1270 ND1 HIS A 79 -7.034 -7.562 -14.933 1.00 0.00 N ATOM 1271 CD2 HIS A 79 -6.344 -5.771 -14.094 1.00 0.00 C ATOM 1272 CE1 HIS A 79 -7.993 -7.036 -14.290 1.00 0.00 C ATOM 1273 NE2 HIS A 79 -7.646 -5.883 -13.715 1.00 0.00 N ATOM 0 H HIS A 79 -3.088 -5.798 -13.622 1.00 0.00 H new ATOM 0 HA HIS A 79 -3.955 -8.626 -14.047 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.281 -6.336 -16.065 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.809 -7.994 -16.271 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -7.099 -8.445 -15.440 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.684 -4.958 -13.832 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -8.978 -7.472 -14.216 1.00 0.00 H new ATOM 1281 N ALA A 80 -1.927 -8.936 -15.581 1.00 0.00 N ATOM 1282 CA ALA A 80 -0.575 -9.103 -16.211 1.00 0.00 C ATOM 1283 C ALA A 80 -0.669 -9.635 -17.640 1.00 0.00 C ATOM 1284 O ALA A 80 -1.505 -10.453 -17.949 1.00 0.00 O ATOM 1285 CB ALA A 80 0.224 -10.114 -15.368 1.00 0.00 C ATOM 0 H ALA A 80 -2.513 -9.771 -15.574 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.091 -8.127 -16.246 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.212 -10.253 -15.806 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.328 -9.737 -14.350 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.302 -11.069 -15.350 1.00 0.00 H new ATOM 1291 N VAL A 81 0.199 -9.142 -18.488 1.00 0.00 N ATOM 1292 CA VAL A 81 0.195 -9.599 -19.912 1.00 0.00 C ATOM 1293 C VAL A 81 1.623 -9.835 -20.374 1.00 0.00 C ATOM 1294 O VAL A 81 2.520 -9.199 -19.904 1.00 0.00 O ATOM 1295 CB VAL A 81 -0.429 -8.495 -20.791 1.00 0.00 C ATOM 1296 CG1 VAL A 81 -1.865 -8.881 -21.169 1.00 0.00 C ATOM 1297 CG2 VAL A 81 -0.451 -7.181 -20.013 1.00 0.00 C ATOM 0 H VAL A 81 0.908 -8.446 -18.257 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.379 -10.522 -19.996 1.00 0.00 H new ATOM 0 HB VAL A 81 0.165 -8.379 -21.697 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.301 -8.098 -21.790 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.856 -9.820 -21.723 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.460 -9.000 -20.264 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.891 -6.399 -20.632 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.045 -7.304 -19.107 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.567 -6.900 -19.744 1.00 0.00 H new ATOM 1307 N SER A 82 1.818 -10.745 -21.283 1.00 0.00 N ATOM 1308 CA SER A 82 3.211 -10.993 -21.749 1.00 0.00 C ATOM 1309 C SER A 82 3.610 -9.972 -22.825 1.00 0.00 C ATOM 1310 O SER A 82 2.842 -9.667 -23.720 1.00 0.00 O ATOM 1311 CB SER A 82 3.301 -12.409 -22.328 1.00 0.00 C ATOM 1312 OG SER A 82 2.785 -12.280 -23.642 1.00 0.00 O ATOM 0 H SER A 82 1.093 -11.317 -21.716 1.00 0.00 H new ATOM 0 HA SER A 82 3.892 -10.891 -20.904 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.329 -12.771 -22.337 1.00 0.00 H new ATOM 0 HB3 SER A 82 2.719 -13.118 -21.739 1.00 0.00 H new ATOM 0 HG SER A 82 2.498 -11.355 -23.791 1.00 0.00 H new ATOM 1318 N SER A 83 4.817 -9.472 -22.711 1.00 0.00 N ATOM 1319 CA SER A 83 5.312 -8.466 -23.698 1.00 0.00 C ATOM 1320 C SER A 83 5.322 -8.995 -25.135 1.00 0.00 C ATOM 1321 O SER A 83 5.928 -8.390 -25.999 1.00 0.00 O ATOM 1322 CB SER A 83 6.749 -8.081 -23.309 1.00 0.00 C ATOM 1323 OG SER A 83 7.538 -9.155 -23.792 1.00 0.00 O ATOM 0 H SER A 83 5.480 -9.718 -21.976 1.00 0.00 H new ATOM 0 HA SER A 83 4.635 -7.612 -23.671 1.00 0.00 H new ATOM 0 HB2 SER A 83 7.044 -7.134 -23.762 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.852 -7.964 -22.230 1.00 0.00 H new ATOM 0 HG SER A 83 8.487 -8.918 -23.730 1.00 0.00 H new ATOM 1329 N ASN A 84 4.660 -10.109 -25.367 1.00 0.00 N ATOM 1330 CA ASN A 84 4.631 -10.676 -26.756 1.00 0.00 C ATOM 1331 C ASN A 84 3.204 -10.768 -27.287 1.00 0.00 C ATOM 1332 O ASN A 84 2.982 -11.236 -28.387 1.00 0.00 O ATOM 1333 CB ASN A 84 5.273 -12.079 -26.748 1.00 0.00 C ATOM 1334 CG ASN A 84 4.892 -12.816 -25.474 1.00 0.00 C ATOM 1335 OD1 ASN A 84 5.336 -12.476 -24.403 1.00 0.00 O ATOM 1336 ND2 ASN A 84 4.085 -13.840 -25.545 1.00 0.00 N ATOM 0 H ASN A 84 4.146 -10.642 -24.665 1.00 0.00 H new ATOM 0 HA ASN A 84 5.193 -10.011 -27.411 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.942 -12.645 -27.619 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.357 -11.993 -26.818 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.832 -14.349 -24.698 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.708 -14.130 -26.447 1.00 0.00 H new ATOM 1343 N GLY A 85 2.257 -10.319 -26.492 1.00 0.00 N ATOM 1344 CA GLY A 85 0.827 -10.370 -26.943 1.00 0.00 C ATOM 1345 C GLY A 85 0.051 -11.509 -26.270 1.00 0.00 C ATOM 1346 O GLY A 85 -1.113 -11.707 -26.558 1.00 0.00 O ATOM 0 H GLY A 85 2.410 -9.925 -25.564 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.342 -9.420 -26.719 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.793 -10.498 -28.025 1.00 0.00 H new ATOM 1350 N GLU A 86 0.699 -12.227 -25.386 1.00 0.00 N ATOM 1351 CA GLU A 86 -0.009 -13.348 -24.701 1.00 0.00 C ATOM 1352 C GLU A 86 -0.487 -12.928 -23.320 1.00 0.00 C ATOM 1353 O GLU A 86 0.297 -12.736 -22.415 1.00 0.00 O ATOM 1354 CB GLU A 86 0.963 -14.531 -24.566 1.00 0.00 C ATOM 1355 CG GLU A 86 1.484 -14.902 -25.958 1.00 0.00 C ATOM 1356 CD GLU A 86 0.302 -15.276 -26.854 1.00 0.00 C ATOM 1357 OE1 GLU A 86 -0.555 -15.984 -26.353 1.00 0.00 O ATOM 1358 OE2 GLU A 86 0.322 -14.831 -27.990 1.00 0.00 O ATOM 0 H GLU A 86 1.672 -12.088 -25.113 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.880 -13.631 -25.291 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.793 -14.265 -23.911 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.459 -15.384 -24.112 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.032 -14.064 -26.389 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.181 -15.737 -25.888 1.00 0.00 H new ATOM 1365 N ALA A 87 -1.781 -12.800 -23.191 1.00 0.00 N ATOM 1366 CA ALA A 87 -2.363 -12.392 -21.889 1.00 0.00 C ATOM 1367 C ALA A 87 -2.107 -13.426 -20.798 1.00 0.00 C ATOM 1368 O ALA A 87 -2.364 -14.602 -20.972 1.00 0.00 O ATOM 1369 CB ALA A 87 -3.881 -12.237 -22.076 1.00 0.00 C ATOM 0 H ALA A 87 -2.458 -12.962 -23.936 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.895 -11.458 -21.578 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.335 -11.937 -21.132 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.079 -11.477 -22.832 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.307 -13.187 -22.397 1.00 0.00 H new ATOM 1375 N VAL A 88 -1.605 -12.952 -19.690 1.00 0.00 N ATOM 1376 CA VAL A 88 -1.311 -13.857 -18.548 1.00 0.00 C ATOM 1377 C VAL A 88 -1.779 -13.204 -17.255 1.00 0.00 C ATOM 1378 O VAL A 88 -1.239 -13.448 -16.196 1.00 0.00 O ATOM 1379 CB VAL A 88 0.219 -14.068 -18.471 1.00 0.00 C ATOM 1380 CG1 VAL A 88 0.792 -14.162 -19.881 1.00 0.00 C ATOM 1381 CG2 VAL A 88 0.870 -12.874 -17.764 1.00 0.00 C ATOM 0 H VAL A 88 -1.385 -11.969 -19.528 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.823 -14.809 -18.686 1.00 0.00 H new ATOM 0 HB VAL A 88 0.422 -14.986 -17.919 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.870 -14.311 -19.826 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.336 -15.003 -20.404 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.580 -13.240 -20.422 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.948 -13.026 -17.711 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.659 -11.962 -18.322 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.467 -12.784 -16.755 1.00 0.00 H new ATOM 1391 N GLU A 89 -2.793 -12.391 -17.369 1.00 0.00 N ATOM 1392 CA GLU A 89 -3.319 -11.703 -16.168 1.00 0.00 C ATOM 1393 C GLU A 89 -4.216 -12.587 -15.327 1.00 0.00 C ATOM 1394 O GLU A 89 -4.601 -13.670 -15.721 1.00 0.00 O ATOM 1395 CB GLU A 89 -4.153 -10.490 -16.620 1.00 0.00 C ATOM 1396 CG GLU A 89 -5.143 -10.926 -17.707 1.00 0.00 C ATOM 1397 CD GLU A 89 -6.123 -11.944 -17.121 1.00 0.00 C ATOM 1398 OE1 GLU A 89 -6.716 -11.604 -16.112 1.00 0.00 O ATOM 1399 OE2 GLU A 89 -6.223 -13.004 -17.718 1.00 0.00 O ATOM 0 H GLU A 89 -3.276 -12.177 -18.242 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.460 -11.415 -15.562 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.691 -10.069 -15.771 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.498 -9.707 -17.003 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.685 -10.061 -18.089 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.607 -11.364 -18.549 1.00 0.00 H new ATOM 1406 N ASP A 90 -4.524 -12.083 -14.171 1.00 0.00 N ATOM 1407 CA ASP A 90 -5.391 -12.816 -13.235 1.00 0.00 C ATOM 1408 C ASP A 90 -5.972 -11.816 -12.227 1.00 0.00 C ATOM 1409 O ASP A 90 -5.278 -10.933 -11.765 1.00 0.00 O ATOM 1410 CB ASP A 90 -4.540 -13.857 -12.487 1.00 0.00 C ATOM 1411 CG ASP A 90 -4.343 -15.084 -13.381 1.00 0.00 C ATOM 1412 OD1 ASP A 90 -5.289 -15.850 -13.466 1.00 0.00 O ATOM 1413 OD2 ASP A 90 -3.257 -15.184 -13.930 1.00 0.00 O ATOM 0 H ASP A 90 -4.202 -11.176 -13.834 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.198 -13.316 -13.771 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.574 -13.429 -12.218 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.031 -14.145 -11.557 1.00 0.00 H new ATOM 1418 N PRO A 91 -7.239 -11.963 -11.900 1.00 0.00 N ATOM 1419 CA PRO A 91 -7.878 -11.060 -10.954 1.00 0.00 C ATOM 1420 C PRO A 91 -7.107 -10.984 -9.630 1.00 0.00 C ATOM 1421 O PRO A 91 -7.306 -11.794 -8.745 1.00 0.00 O ATOM 1422 CB PRO A 91 -9.292 -11.658 -10.727 1.00 0.00 C ATOM 1423 CG PRO A 91 -9.404 -12.928 -11.625 1.00 0.00 C ATOM 1424 CD PRO A 91 -8.094 -13.039 -12.421 1.00 0.00 C ATOM 0 HA PRO A 91 -7.911 -10.040 -11.337 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.438 -11.915 -9.678 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -10.063 -10.933 -10.988 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.560 -13.818 -11.015 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -10.258 -12.849 -12.298 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.629 -14.015 -12.281 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.271 -12.920 -13.490 1.00 0.00 H new ATOM 1432 N MET A 92 -6.224 -10.004 -9.531 1.00 0.00 N ATOM 1433 CA MET A 92 -5.423 -9.848 -8.278 1.00 0.00 C ATOM 1434 C MET A 92 -5.804 -8.556 -7.572 1.00 0.00 C ATOM 1435 O MET A 92 -5.683 -7.487 -8.134 1.00 0.00 O ATOM 1436 CB MET A 92 -3.933 -9.790 -8.653 1.00 0.00 C ATOM 1437 CG MET A 92 -3.446 -11.198 -9.008 1.00 0.00 C ATOM 1438 SD MET A 92 -4.027 -12.569 -7.972 1.00 0.00 S ATOM 1439 CE MET A 92 -3.480 -13.921 -9.044 1.00 0.00 C ATOM 0 H MET A 92 -6.031 -9.317 -10.260 1.00 0.00 H new ATOM 0 HA MET A 92 -5.620 -10.690 -7.614 1.00 0.00 H new ATOM 0 HB2 MET A 92 -3.785 -9.117 -9.498 1.00 0.00 H new ATOM 0 HB3 MET A 92 -3.352 -9.390 -7.822 1.00 0.00 H new ATOM 0 HG2 MET A 92 -3.739 -11.406 -10.037 1.00 0.00 H new ATOM 0 HG3 MET A 92 -2.356 -11.194 -8.981 1.00 0.00 H new ATOM 0 HE1 MET A 92 -4.346 -14.487 -9.387 1.00 0.00 H new ATOM 0 HE2 MET A 92 -2.951 -13.512 -9.904 1.00 0.00 H new ATOM 0 HE3 MET A 92 -2.813 -14.580 -8.487 1.00 0.00 H new ATOM 1449 N GLU A 93 -6.254 -8.674 -6.346 1.00 0.00 N ATOM 1450 CA GLU A 93 -6.649 -7.454 -5.593 1.00 0.00 C ATOM 1451 C GLU A 93 -5.528 -6.943 -4.698 1.00 0.00 C ATOM 1452 O GLU A 93 -5.103 -7.613 -3.779 1.00 0.00 O ATOM 1453 CB GLU A 93 -7.861 -7.792 -4.701 1.00 0.00 C ATOM 1454 CG GLU A 93 -7.898 -9.298 -4.429 1.00 0.00 C ATOM 1455 CD GLU A 93 -6.665 -9.696 -3.618 1.00 0.00 C ATOM 1456 OE1 GLU A 93 -6.524 -9.140 -2.540 1.00 0.00 O ATOM 1457 OE2 GLU A 93 -5.934 -10.534 -4.119 1.00 0.00 O ATOM 0 H GLU A 93 -6.362 -9.555 -5.843 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.887 -6.678 -6.320 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.797 -7.244 -3.761 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.783 -7.478 -5.190 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.805 -9.558 -3.884 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.922 -9.848 -5.369 1.00 0.00 H new ATOM 1464 N ILE A 94 -5.067 -5.762 -4.993 1.00 0.00 N ATOM 1465 CA ILE A 94 -3.982 -5.172 -4.187 1.00 0.00 C ATOM 1466 C ILE A 94 -4.582 -4.260 -3.118 1.00 0.00 C ATOM 1467 O ILE A 94 -5.372 -3.378 -3.424 1.00 0.00 O ATOM 1468 CB ILE A 94 -3.085 -4.350 -5.128 1.00 0.00 C ATOM 1469 CG1 ILE A 94 -1.975 -5.237 -5.674 1.00 0.00 C ATOM 1470 CG2 ILE A 94 -2.447 -3.191 -4.338 1.00 0.00 C ATOM 1471 CD1 ILE A 94 -1.261 -4.509 -6.815 1.00 0.00 C ATOM 0 H ILE A 94 -5.401 -5.182 -5.763 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.400 -5.953 -3.697 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.686 -3.959 -5.949 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.266 -5.481 -4.883 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.390 -6.179 -6.032 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.810 -2.606 -5.001 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.231 -2.553 -3.931 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.847 -3.594 -3.522 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.465 -5.141 -7.209 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.975 -4.288 -7.609 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.834 -3.578 -6.442 1.00 0.00 H new ATOM 1483 N VAL A 95 -4.202 -4.492 -1.881 1.00 0.00 N ATOM 1484 CA VAL A 95 -4.738 -3.652 -0.777 1.00 0.00 C ATOM 1485 C VAL A 95 -3.734 -2.585 -0.394 1.00 0.00 C ATOM 1486 O VAL A 95 -2.696 -2.883 0.167 1.00 0.00 O ATOM 1487 CB VAL A 95 -4.995 -4.556 0.443 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -3.701 -5.282 0.812 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -5.444 -3.696 1.628 1.00 0.00 C ATOM 0 H VAL A 95 -3.549 -5.222 -1.597 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.660 -3.171 -1.103 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.771 -5.282 0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.877 -5.924 1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.372 -5.890 -0.031 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.930 -4.551 1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.626 -4.334 2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.665 -2.973 1.869 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.361 -3.168 1.367 1.00 0.00 H new ATOM 1499 N ILE A 96 -4.064 -1.358 -0.699 1.00 0.00 N ATOM 1500 CA ILE A 96 -3.144 -0.244 -0.365 1.00 0.00 C ATOM 1501 C ILE A 96 -3.662 0.569 0.814 1.00 0.00 C ATOM 1502 O ILE A 96 -4.687 1.211 0.725 1.00 0.00 O ATOM 1503 CB ILE A 96 -3.050 0.663 -1.587 1.00 0.00 C ATOM 1504 CG1 ILE A 96 -2.395 -0.092 -2.736 1.00 0.00 C ATOM 1505 CG2 ILE A 96 -2.175 1.867 -1.231 1.00 0.00 C ATOM 1506 CD1 ILE A 96 -3.151 0.214 -4.031 1.00 0.00 C ATOM 0 H ILE A 96 -4.930 -1.084 -1.164 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.171 -0.653 -0.092 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.048 0.986 -1.884 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.350 0.202 -2.832 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.407 -1.164 -2.537 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.096 2.528 -2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.624 2.409 -0.399 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.181 1.523 -0.946 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.688 -0.323 -4.858 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -4.189 -0.102 -3.929 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.115 1.285 -4.229 1.00 0.00 H new ATOM 1518 N THR A 97 -2.939 0.524 1.903 1.00 0.00 N ATOM 1519 CA THR A 97 -3.372 1.291 3.098 1.00 0.00 C ATOM 1520 C THR A 97 -2.728 2.672 3.114 1.00 0.00 C ATOM 1521 O THR A 97 -1.631 2.856 2.618 1.00 0.00 O ATOM 1522 CB THR A 97 -2.940 0.523 4.355 1.00 0.00 C ATOM 1523 OG1 THR A 97 -3.812 0.963 5.378 1.00 0.00 O ATOM 1524 CG2 THR A 97 -1.544 0.967 4.822 1.00 0.00 C ATOM 0 H THR A 97 -2.075 -0.007 2.012 1.00 0.00 H new ATOM 0 HA THR A 97 -4.455 1.411 3.071 1.00 0.00 H new ATOM 0 HB THR A 97 -2.950 -0.548 4.152 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.590 0.506 6.216 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.263 0.407 5.714 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.818 0.777 4.031 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.559 2.032 5.053 1.00 0.00 H new ATOM 1532 N VAL A 98 -3.421 3.621 3.677 1.00 0.00 N ATOM 1533 CA VAL A 98 -2.860 4.996 3.733 1.00 0.00 C ATOM 1534 C VAL A 98 -2.050 5.206 5.005 1.00 0.00 C ATOM 1535 O VAL A 98 -2.366 4.653 6.041 1.00 0.00 O ATOM 1536 CB VAL A 98 -4.020 6.000 3.728 1.00 0.00 C ATOM 1537 CG1 VAL A 98 -3.463 7.405 3.964 1.00 0.00 C ATOM 1538 CG2 VAL A 98 -4.718 5.960 2.372 1.00 0.00 C ATOM 0 H VAL A 98 -4.343 3.505 4.097 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.208 5.140 2.872 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.732 5.745 4.513 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.281 8.126 3.962 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.953 7.437 4.927 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.758 7.655 3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.543 6.673 2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.007 6.222 1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.104 4.957 2.191 1.00 0.00 H new ATOM 1548 N THR A 99 -1.018 6.008 4.897 1.00 0.00 N ATOM 1549 CA THR A 99 -0.157 6.285 6.081 1.00 0.00 C ATOM 1550 C THR A 99 -0.221 7.761 6.453 1.00 0.00 C ATOM 1551 O THR A 99 -0.287 8.614 5.593 1.00 0.00 O ATOM 1552 CB THR A 99 1.287 5.936 5.714 1.00 0.00 C ATOM 1553 OG1 THR A 99 1.190 5.028 4.634 1.00 0.00 O ATOM 1554 CG2 THR A 99 1.958 5.131 6.836 1.00 0.00 C ATOM 0 H THR A 99 -0.738 6.481 4.038 1.00 0.00 H new ATOM 0 HA THR A 99 -0.503 5.691 6.927 1.00 0.00 H new ATOM 0 HB THR A 99 1.847 6.849 5.513 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.089 4.764 4.347 1.00 0.00 H new ATOM 0 HG21 THR A 99 2.983 4.895 6.551 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.962 5.719 7.753 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.405 4.206 7.001 1.00 0.00 H new ATOM 1562 N ASP A 100 -0.202 8.039 7.729 1.00 0.00 N ATOM 1563 CA ASP A 100 -0.262 9.459 8.165 1.00 0.00 C ATOM 1564 C ASP A 100 0.938 10.245 7.646 1.00 0.00 C ATOM 1565 O ASP A 100 1.616 9.817 6.734 1.00 0.00 O ATOM 1566 CB ASP A 100 -0.248 9.496 9.702 1.00 0.00 C ATOM 1567 CG ASP A 100 -1.512 8.821 10.235 1.00 0.00 C ATOM 1568 OD1 ASP A 100 -2.505 8.896 9.530 1.00 0.00 O ATOM 1569 OD2 ASP A 100 -1.415 8.270 11.319 1.00 0.00 O ATOM 0 H ASP A 100 -0.148 7.350 8.480 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.171 9.911 7.767 1.00 0.00 H new ATOM 0 HB2 ASP A 100 0.638 8.987 10.081 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -0.197 10.527 10.052 1.00 0.00 H new ATOM 1574 N GLN A 101 1.173 11.388 8.243 1.00 0.00 N ATOM 1575 CA GLN A 101 2.321 12.231 7.809 1.00 0.00 C ATOM 1576 C GLN A 101 3.046 12.814 9.015 1.00 0.00 C ATOM 1577 O GLN A 101 2.666 12.574 10.144 1.00 0.00 O ATOM 1578 CB GLN A 101 1.773 13.391 6.956 1.00 0.00 C ATOM 1579 CG GLN A 101 2.285 13.251 5.520 1.00 0.00 C ATOM 1580 CD GLN A 101 3.690 13.849 5.422 1.00 0.00 C ATOM 1581 OE1 GLN A 101 4.653 13.283 5.903 1.00 0.00 O ATOM 1582 NE2 GLN A 101 3.852 14.992 4.810 1.00 0.00 N ATOM 0 H GLN A 101 0.619 11.770 9.010 1.00 0.00 H new ATOM 0 HA GLN A 101 3.020 11.619 7.240 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.683 13.383 6.968 1.00 0.00 H new ATOM 0 HB3 GLN A 101 2.089 14.346 7.375 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.304 12.201 5.229 1.00 0.00 H new ATOM 0 HG3 GLN A 101 1.612 13.761 4.831 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.048 15.472 4.404 1.00 0.00 H new ATOM 0 HE22 GLN A 101 4.782 15.405 4.738 1.00 0.00 H new ATOM 1591 N ASN A 102 4.079 13.572 8.754 1.00 0.00 N ATOM 1592 CA ASN A 102 4.840 14.181 9.872 1.00 0.00 C ATOM 1593 C ASN A 102 5.366 15.558 9.484 1.00 0.00 C ATOM 1594 O ASN A 102 6.106 16.175 10.223 1.00 0.00 O ATOM 1595 CB ASN A 102 6.033 13.268 10.197 1.00 0.00 C ATOM 1596 CG ASN A 102 5.519 11.936 10.751 1.00 0.00 C ATOM 1597 OD1 ASN A 102 4.797 11.216 10.094 1.00 0.00 O ATOM 1598 ND2 ASN A 102 5.871 11.573 11.951 1.00 0.00 N ATOM 0 H ASN A 102 4.423 13.792 7.819 1.00 0.00 H new ATOM 0 HA ASN A 102 4.182 14.290 10.734 1.00 0.00 H new ATOM 0 HB2 ASN A 102 6.628 13.096 9.300 1.00 0.00 H new ATOM 0 HB3 ASN A 102 6.686 13.750 10.925 1.00 0.00 H new ATOM 0 HD21 ASN A 102 5.540 10.687 12.334 1.00 0.00 H new ATOM 0 HD22 ASN A 102 6.478 12.174 12.508 1.00 0.00 H new ATOM 1605 N ASP A 103 4.971 16.017 8.326 1.00 0.00 N ATOM 1606 CA ASP A 103 5.438 17.351 7.873 1.00 0.00 C ATOM 1607 C ASP A 103 4.537 18.453 8.413 1.00 0.00 C ATOM 1608 O ASP A 103 3.639 18.199 9.192 1.00 0.00 O ATOM 1609 CB ASP A 103 5.392 17.383 6.339 1.00 0.00 C ATOM 1610 CG ASP A 103 6.531 18.261 5.816 1.00 0.00 C ATOM 1611 OD1 ASP A 103 7.609 18.141 6.376 1.00 0.00 O ATOM 1612 OD2 ASP A 103 6.261 19.004 4.886 1.00 0.00 O ATOM 0 H ASP A 103 4.350 15.527 7.682 1.00 0.00 H new ATOM 0 HA ASP A 103 6.451 17.518 8.240 1.00 0.00 H new ATOM 0 HB2 ASP A 103 5.484 16.373 5.940 1.00 0.00 H new ATOM 0 HB3 ASP A 103 4.432 17.773 6.001 1.00 0.00 H new ATOM 1617 N ASN A 104 4.790 19.662 7.986 1.00 0.00 N ATOM 1618 CA ASN A 104 3.958 20.790 8.464 1.00 0.00 C ATOM 1619 C ASN A 104 3.994 20.874 9.987 1.00 0.00 C ATOM 1620 O ASN A 104 2.990 21.299 10.531 1.00 0.00 O ATOM 1621 CB ASN A 104 2.509 20.546 8.011 1.00 0.00 C ATOM 1622 CG ASN A 104 1.754 21.880 7.985 1.00 0.00 C ATOM 1623 OD1 ASN A 104 1.046 22.185 6.932 1.00 0.00 O flip ATOM 1624 ND2 ASN A 104 1.800 22.653 8.920 1.00 0.00 N flip ATOM 1625 OXT ASN A 104 5.026 20.505 10.523 1.00 0.00 O ATOM 0 H ASN A 104 5.532 19.910 7.332 1.00 0.00 H new ATOM 0 HA ASN A 104 4.343 21.723 8.053 1.00 0.00 H new ATOM 0 HB2 ASN A 104 2.497 20.089 7.021 1.00 0.00 H new ATOM 0 HB3 ASN A 104 2.016 19.849 8.689 1.00 0.00 H new ATOM 0 HD21 ASN A 104 2.351 22.422 9.746 1.00 0.00 H new ATOM 0 HD22 ASN A 104 1.287 23.534 8.879 1.00 0.00 H new TER 1632 ASN A 104