USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 740 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 31 HIS : no HE2:sc= -2.76! C(o=-2.2!,f=-4.4!) USER MOD Set 1.2: A 33 SER OG : rot 94:sc= 0.585 USER MOD Set 2.1: A 13 HIS : no HD1:sc= 0.0954 K(o=-1.3,f=-3.2) USER MOD Set 2.2: A 21 ASN : amide:sc= -1.42 K(o=-1.3,f=-2.6!) USER MOD Single : A 6 MET CE :methyl 165:sc= -0.087 (180deg=-0.464) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc=-3.62e-05 K(o=-3.6e-05,f=-1.4) USER MOD Single : A 19 LYS NZ :NH3+ -130:sc= -0.128 (180deg=-0.633) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0191 USER MOD Single : A 24 ASN : amide:sc= -1.33 K(o=-1.3,f=0.84) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 54:sc= 0.0388 USER MOD Single : A 41 LYS NZ :NH3+ 151:sc= -0.517 (180deg=-1.7!) USER MOD Single : A 42 ASN : amide:sc= -1.7 K(o=-1.7,f=-0.85) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.295 X(o=-0.29,f=-0.037) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.105 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 167:sc= -0.0147 (180deg=-0.165) USER MOD Single : A 61 SER OG : rot 56:sc= 0.0431 USER MOD Single : A 63 TYR OH : rot 15:sc= -0.624 USER MOD Single : A 66 TYR OH : rot -164:sc= 0.497 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 28:sc= 0.552 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -148:sc= 1.46 USER MOD Single : A 75 LYS NZ :NH3+ -125:sc= -3.99! (180deg=-8.19!) USER MOD Single : A 78 TYR OH : rot 17:sc= 0.00597 USER MOD Single : A 83 ASN : amide:sc=-0.00871 K(o=-0.0087,f=-1.4) USER MOD Single : A 84 HIS : no HD1:sc= -3.23! C(o=-3.2!,f=-8!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.53! K(o=-1.5!,f=-0.27) USER MOD Single : A 91 LYS NZ :NH3+ 154:sc= -0.0677 (180deg=-0.425) USER MOD Single : A 94 LYS NZ :NH3+ -159:sc= -0.163 (180deg=-0.876) USER MOD Single : A 99 MET CE :methyl -174:sc= -0.53 (180deg=-0.817) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 5.533 -8.530 8.015 1.00 0.00 N ATOM 2 CA MET A 6 4.434 -8.216 7.115 1.00 0.00 C ATOM 3 C MET A 6 4.139 -6.727 7.138 1.00 0.00 C ATOM 4 O MET A 6 4.660 -5.991 7.979 1.00 0.00 O ATOM 5 CB MET A 6 3.172 -9.000 7.487 1.00 0.00 C ATOM 6 CG MET A 6 2.604 -8.647 8.853 1.00 0.00 C ATOM 7 SD MET A 6 0.986 -9.391 9.147 1.00 0.00 S ATOM 8 CE MET A 6 1.378 -11.130 8.973 1.00 0.00 C ATOM 0 HA MET A 6 4.736 -8.507 6.109 1.00 0.00 H new ATOM 0 HB2 MET A 6 2.409 -8.820 6.730 1.00 0.00 H new ATOM 0 HB3 MET A 6 3.399 -10.066 7.464 1.00 0.00 H new ATOM 0 HG2 MET A 6 3.297 -8.977 9.627 1.00 0.00 H new ATOM 0 HG3 MET A 6 2.522 -7.563 8.939 1.00 0.00 H new ATOM 0 HE1 MET A 6 0.564 -11.729 9.381 1.00 0.00 H new ATOM 0 HE2 MET A 6 1.511 -11.369 7.918 1.00 0.00 H new ATOM 0 HE3 MET A 6 2.298 -11.352 9.514 1.00 0.00 H new ATOM 17 N ILE A 7 3.293 -6.299 6.218 1.00 0.00 N ATOM 18 CA ILE A 7 2.932 -4.897 6.087 1.00 0.00 C ATOM 19 C ILE A 7 1.714 -4.603 6.956 1.00 0.00 C ATOM 20 O ILE A 7 1.027 -5.529 7.392 1.00 0.00 O ATOM 21 CB ILE A 7 2.581 -4.562 4.610 1.00 0.00 C ATOM 22 CG1 ILE A 7 3.526 -5.281 3.648 1.00 0.00 C ATOM 23 CG2 ILE A 7 2.622 -3.063 4.344 1.00 0.00 C ATOM 24 CD1 ILE A 7 2.833 -5.770 2.389 1.00 0.00 C ATOM 0 H ILE A 7 2.837 -6.911 5.542 1.00 0.00 H new ATOM 0 HA ILE A 7 3.780 -4.290 6.404 1.00 0.00 H new ATOM 0 HB ILE A 7 1.562 -4.911 4.439 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.336 -4.606 3.371 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.979 -6.130 4.160 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.371 -2.872 3.301 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.902 -2.559 4.989 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.623 -2.684 4.552 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.557 -6.272 1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.041 -6.469 2.658 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.403 -4.921 1.857 1.00 0.00 H new ATOM 36 N GLN A 8 1.451 -3.331 7.211 1.00 0.00 N ATOM 37 CA GLN A 8 0.258 -2.924 7.933 1.00 0.00 C ATOM 38 C GLN A 8 -0.382 -1.730 7.231 1.00 0.00 C ATOM 39 O GLN A 8 0.190 -0.639 7.194 1.00 0.00 O ATOM 40 CB GLN A 8 0.597 -2.578 9.385 1.00 0.00 C ATOM 41 CG GLN A 8 1.047 -3.787 10.202 1.00 0.00 C ATOM 42 CD GLN A 8 1.301 -3.449 11.656 1.00 0.00 C ATOM 43 OE1 GLN A 8 1.684 -2.329 11.994 1.00 0.00 O ATOM 44 NE2 GLN A 8 1.087 -4.423 12.528 1.00 0.00 N ATOM 0 H GLN A 8 2.053 -2.559 6.926 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.451 -3.752 7.943 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.385 -1.825 9.398 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.277 -2.132 9.859 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.286 -4.565 10.142 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.957 -4.197 9.764 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.770 -5.337 12.204 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.240 -4.259 13.523 1.00 0.00 H new ATOM 53 N VAL A 9 -1.546 -1.953 6.639 1.00 0.00 N ATOM 54 CA VAL A 9 -2.266 -0.894 5.944 1.00 0.00 C ATOM 55 C VAL A 9 -3.262 -0.205 6.866 1.00 0.00 C ATOM 56 O VAL A 9 -3.809 -0.824 7.779 1.00 0.00 O ATOM 57 CB VAL A 9 -3.012 -1.421 4.693 1.00 0.00 C ATOM 58 CG1 VAL A 9 -2.053 -1.585 3.531 1.00 0.00 C ATOM 59 CG2 VAL A 9 -3.699 -2.741 4.996 1.00 0.00 C ATOM 0 H VAL A 9 -2.014 -2.859 6.626 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.514 -0.174 5.622 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.772 -0.690 4.417 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.595 -1.956 2.661 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.601 -0.622 3.293 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.272 -2.295 3.802 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.217 -3.094 4.105 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.955 -3.477 5.299 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.419 -2.600 5.802 1.00 0.00 H new ATOM 69 N TYR A 10 -3.501 1.066 6.592 1.00 0.00 N ATOM 70 CA TYR A 10 -4.358 1.909 7.420 1.00 0.00 C ATOM 71 C TYR A 10 -5.022 2.963 6.548 1.00 0.00 C ATOM 72 O TYR A 10 -4.738 3.063 5.351 1.00 0.00 O ATOM 73 CB TYR A 10 -3.559 2.624 8.524 1.00 0.00 C ATOM 74 CG TYR A 10 -3.060 1.728 9.651 1.00 0.00 C ATOM 75 CD1 TYR A 10 -1.749 1.830 10.115 1.00 0.00 C ATOM 76 CD2 TYR A 10 -3.890 0.778 10.249 1.00 0.00 C ATOM 77 CE1 TYR A 10 -1.283 1.017 11.134 1.00 0.00 C ATOM 78 CE2 TYR A 10 -3.427 -0.038 11.269 1.00 0.00 C ATOM 79 CZ TYR A 10 -2.124 0.086 11.703 1.00 0.00 C ATOM 80 OH TYR A 10 -1.657 -0.722 12.715 1.00 0.00 O ATOM 0 H TYR A 10 -3.105 1.548 5.785 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.101 1.265 7.890 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.701 3.117 8.067 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.185 3.406 8.954 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.085 2.557 9.671 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.911 0.677 9.911 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.265 1.112 11.481 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.083 -0.767 11.721 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.372 -1.323 13.010 1.00 0.00 H new ATOM 90 N SER A 11 -5.913 3.741 7.137 1.00 0.00 N ATOM 91 CA SER A 11 -6.520 4.864 6.445 1.00 0.00 C ATOM 92 C SER A 11 -6.584 6.084 7.359 1.00 0.00 C ATOM 93 O SER A 11 -6.565 5.957 8.582 1.00 0.00 O ATOM 94 CB SER A 11 -7.925 4.485 5.986 1.00 0.00 C ATOM 95 OG SER A 11 -7.886 3.386 5.091 1.00 0.00 O ATOM 0 H SER A 11 -6.233 3.615 8.097 1.00 0.00 H new ATOM 0 HA SER A 11 -5.910 5.113 5.577 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.539 4.233 6.851 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.396 5.339 5.499 1.00 0.00 H new ATOM 0 HG SER A 11 -8.797 3.159 4.811 1.00 0.00 H new ATOM 101 N ARG A 12 -6.658 7.270 6.756 1.00 0.00 N ATOM 102 CA ARG A 12 -6.687 8.514 7.527 1.00 0.00 C ATOM 103 C ARG A 12 -8.117 8.861 7.931 1.00 0.00 C ATOM 104 O ARG A 12 -8.345 9.626 8.864 1.00 0.00 O ATOM 105 CB ARG A 12 -6.083 9.668 6.709 1.00 0.00 C ATOM 106 CG ARG A 12 -5.239 10.638 7.535 1.00 0.00 C ATOM 107 CD ARG A 12 -6.078 11.416 8.538 1.00 0.00 C ATOM 108 NE ARG A 12 -5.261 12.200 9.461 1.00 0.00 N ATOM 109 CZ ARG A 12 -5.726 12.761 10.577 1.00 0.00 C ATOM 110 NH1 ARG A 12 -7.004 12.626 10.920 1.00 0.00 N ATOM 111 NH2 ARG A 12 -4.905 13.456 11.356 1.00 0.00 N ATOM 0 H ARG A 12 -6.699 7.396 5.745 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.091 8.369 8.428 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.466 9.252 5.913 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.890 10.222 6.230 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.464 10.083 8.064 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.733 11.336 6.868 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.755 12.081 8.002 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.697 10.721 9.106 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.274 12.326 9.238 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.637 12.089 10.327 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.351 13.059 11.776 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.923 13.559 11.099 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.256 13.887 12.211 1.00 0.00 H new ATOM 125 N HIS A 13 -9.081 8.288 7.232 1.00 0.00 N ATOM 126 CA HIS A 13 -10.477 8.642 7.437 1.00 0.00 C ATOM 127 C HIS A 13 -11.312 7.403 7.731 1.00 0.00 C ATOM 128 O HIS A 13 -10.873 6.280 7.470 1.00 0.00 O ATOM 129 CB HIS A 13 -11.019 9.359 6.199 1.00 0.00 C ATOM 130 CG HIS A 13 -10.347 10.667 5.911 1.00 0.00 C ATOM 131 ND1 HIS A 13 -9.665 10.879 4.739 1.00 0.00 N ATOM 132 CD2 HIS A 13 -10.292 11.788 6.668 1.00 0.00 C ATOM 133 CE1 HIS A 13 -9.212 12.121 4.806 1.00 0.00 C ATOM 134 NE2 HIS A 13 -9.568 12.710 5.957 1.00 0.00 N ATOM 0 H HIS A 13 -8.925 7.576 6.518 1.00 0.00 H new ATOM 0 HA HIS A 13 -10.542 9.310 8.296 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -10.906 8.705 5.334 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.087 9.532 6.330 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -10.733 11.929 7.644 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -8.630 12.599 4.032 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -9.343 13.661 6.248 1.00 0.00 H new ATOM 142 N PRO A 14 -12.522 7.593 8.287 1.00 0.00 N ATOM 143 CA PRO A 14 -13.434 6.489 8.584 1.00 0.00 C ATOM 144 C PRO A 14 -14.045 5.921 7.303 1.00 0.00 C ATOM 145 O PRO A 14 -14.409 6.682 6.404 1.00 0.00 O ATOM 146 CB PRO A 14 -14.531 7.110 9.459 1.00 0.00 C ATOM 147 CG PRO A 14 -14.175 8.557 9.641 1.00 0.00 C ATOM 148 CD PRO A 14 -13.095 8.898 8.648 1.00 0.00 C ATOM 0 HA PRO A 14 -12.920 5.664 9.077 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -15.507 7.009 8.985 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -14.591 6.603 10.422 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -15.050 9.188 9.484 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -13.829 8.739 10.658 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.501 9.411 7.776 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.344 9.557 9.085 1.00 0.00 H new ATOM 156 N ALA A 15 -14.119 4.594 7.199 1.00 0.00 N ATOM 157 CA ALA A 15 -14.694 3.943 6.022 1.00 0.00 C ATOM 158 C ALA A 15 -16.158 4.336 5.805 1.00 0.00 C ATOM 159 O ALA A 15 -17.053 3.771 6.436 1.00 0.00 O ATOM 160 CB ALA A 15 -14.599 2.427 6.185 1.00 0.00 C ATOM 0 H ALA A 15 -13.788 3.949 7.916 1.00 0.00 H new ATOM 0 HA ALA A 15 -14.127 4.272 5.151 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.027 1.939 5.309 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.553 2.137 6.287 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.149 2.122 7.075 1.00 0.00 H new ATOM 166 N GLU A 16 -16.411 5.279 4.897 1.00 0.00 N ATOM 167 CA GLU A 16 -17.785 5.647 4.564 1.00 0.00 C ATOM 168 C GLU A 16 -18.105 5.232 3.122 1.00 0.00 C ATOM 169 O GLU A 16 -17.698 5.903 2.175 1.00 0.00 O ATOM 170 CB GLU A 16 -18.017 7.163 4.758 1.00 0.00 C ATOM 171 CG GLU A 16 -18.798 7.555 6.008 1.00 0.00 C ATOM 172 CD GLU A 16 -18.116 7.166 7.307 1.00 0.00 C ATOM 173 OE1 GLU A 16 -17.252 7.934 7.783 1.00 0.00 O ATOM 174 OE2 GLU A 16 -18.466 6.110 7.876 1.00 0.00 O ATOM 0 H GLU A 16 -15.694 5.794 4.386 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.456 5.118 5.241 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -17.047 7.660 4.786 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.546 7.546 3.886 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.957 8.633 6.002 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.782 7.087 5.971 1.00 0.00 H new ATOM 181 N ASN A 17 -18.769 4.078 2.983 1.00 0.00 N ATOM 182 CA ASN A 17 -19.281 3.561 1.704 1.00 0.00 C ATOM 183 C ASN A 17 -19.814 4.677 0.781 1.00 0.00 C ATOM 184 O ASN A 17 -20.944 5.145 0.936 1.00 0.00 O ATOM 185 CB ASN A 17 -20.379 2.499 2.037 1.00 0.00 C ATOM 186 CG ASN A 17 -19.803 1.186 2.543 1.00 0.00 C ATOM 187 OD1 ASN A 17 -18.697 1.137 3.079 1.00 0.00 O ATOM 188 ND2 ASN A 17 -20.573 0.115 2.400 1.00 0.00 N ATOM 0 H ASN A 17 -18.970 3.463 3.772 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.468 3.102 1.142 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -21.054 2.907 2.789 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -20.974 2.308 1.144 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -20.254 -0.792 2.741 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -21.484 0.199 1.949 1.00 0.00 H new ATOM 195 N GLY A 18 -18.970 5.090 -0.185 1.00 0.00 N ATOM 196 CA GLY A 18 -19.335 6.151 -1.129 1.00 0.00 C ATOM 197 C GLY A 18 -18.383 7.333 -1.112 1.00 0.00 C ATOM 198 O GLY A 18 -18.483 8.215 -1.959 1.00 0.00 O ATOM 0 H GLY A 18 -18.037 4.704 -0.327 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.366 5.735 -2.136 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.341 6.502 -0.897 1.00 0.00 H new ATOM 202 N LYS A 19 -17.465 7.374 -0.157 1.00 0.00 N ATOM 203 CA LYS A 19 -16.501 8.482 -0.096 1.00 0.00 C ATOM 204 C LYS A 19 -15.196 8.120 -0.768 1.00 0.00 C ATOM 205 O LYS A 19 -14.833 6.948 -0.866 1.00 0.00 O ATOM 206 CB LYS A 19 -16.166 8.860 1.347 1.00 0.00 C ATOM 207 CG LYS A 19 -17.351 9.099 2.265 1.00 0.00 C ATOM 208 CD LYS A 19 -17.937 10.500 2.182 1.00 0.00 C ATOM 209 CE LYS A 19 -18.441 10.850 0.796 1.00 0.00 C ATOM 210 NZ LYS A 19 -19.598 10.012 0.394 1.00 0.00 N ATOM 0 H LYS A 19 -17.361 6.672 0.576 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.978 9.317 -0.609 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.553 8.067 1.776 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.555 9.763 1.333 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.132 8.377 2.026 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.043 8.907 3.293 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -18.758 10.587 2.894 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -17.178 11.224 2.480 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -18.729 11.901 0.770 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.634 10.723 0.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -19.426 9.613 -0.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.722 9.239 1.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -20.458 10.596 0.372 1.00 0.00 H new ATOM 224 N SER A 20 -14.501 9.138 -1.233 1.00 0.00 N ATOM 225 CA SER A 20 -13.128 8.988 -1.648 1.00 0.00 C ATOM 226 C SER A 20 -12.193 9.504 -0.562 1.00 0.00 C ATOM 227 O SER A 20 -12.460 10.522 0.083 1.00 0.00 O ATOM 228 CB SER A 20 -12.869 9.673 -2.988 1.00 0.00 C ATOM 229 OG SER A 20 -13.670 10.834 -3.142 1.00 0.00 O ATOM 0 H SER A 20 -14.871 10.083 -1.332 1.00 0.00 H new ATOM 0 HA SER A 20 -12.927 7.927 -1.795 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.816 9.944 -3.062 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.076 8.976 -3.800 1.00 0.00 H new ATOM 0 HG SER A 20 -13.480 11.250 -4.009 1.00 0.00 H new ATOM 235 N ASN A 21 -11.093 8.795 -0.385 1.00 0.00 N ATOM 236 CA ASN A 21 -10.147 9.037 0.700 1.00 0.00 C ATOM 237 C ASN A 21 -8.816 8.449 0.247 1.00 0.00 C ATOM 238 O ASN A 21 -8.676 8.091 -0.925 1.00 0.00 O ATOM 239 CB ASN A 21 -10.586 8.357 2.010 1.00 0.00 C ATOM 240 CG ASN A 21 -12.036 8.603 2.418 1.00 0.00 C ATOM 241 OD1 ASN A 21 -12.954 7.957 1.914 1.00 0.00 O ATOM 242 ND2 ASN A 21 -12.248 9.485 3.379 1.00 0.00 N ATOM 0 H ASN A 21 -10.824 8.024 -0.996 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.083 10.106 0.904 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.431 7.283 1.912 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.936 8.701 2.814 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.194 9.646 3.724 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.465 10.005 3.776 1.00 0.00 H new ATOM 249 N PHE A 22 -7.856 8.306 1.151 1.00 0.00 N ATOM 250 CA PHE A 22 -6.539 7.799 0.765 1.00 0.00 C ATOM 251 C PHE A 22 -6.190 6.503 1.488 1.00 0.00 C ATOM 252 O PHE A 22 -6.339 6.408 2.709 1.00 0.00 O ATOM 253 CB PHE A 22 -5.460 8.848 1.042 1.00 0.00 C ATOM 254 CG PHE A 22 -5.445 9.974 0.048 1.00 0.00 C ATOM 255 CD1 PHE A 22 -5.026 11.244 0.417 1.00 0.00 C ATOM 256 CD2 PHE A 22 -5.843 9.757 -1.263 1.00 0.00 C ATOM 257 CE1 PHE A 22 -5.001 12.273 -0.505 1.00 0.00 C ATOM 258 CE2 PHE A 22 -5.823 10.784 -2.187 1.00 0.00 C ATOM 259 CZ PHE A 22 -5.400 12.043 -1.808 1.00 0.00 C ATOM 0 H PHE A 22 -7.957 8.529 2.141 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.578 7.587 -0.304 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.612 9.258 2.040 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.484 8.362 1.042 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.716 11.430 1.435 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.172 8.774 -1.565 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.670 13.257 -0.207 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -6.138 10.603 -3.204 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.381 12.847 -2.529 1.00 0.00 H new ATOM 269 N LEU A 23 -5.719 5.510 0.728 1.00 0.00 N ATOM 270 CA LEU A 23 -5.240 4.252 1.317 1.00 0.00 C ATOM 271 C LEU A 23 -3.749 4.362 1.608 1.00 0.00 C ATOM 272 O LEU A 23 -2.959 4.732 0.739 1.00 0.00 O ATOM 273 CB LEU A 23 -5.524 3.046 0.394 1.00 0.00 C ATOM 274 CG LEU A 23 -4.847 1.701 0.773 1.00 0.00 C ATOM 275 CD1 LEU A 23 -5.195 1.263 2.192 1.00 0.00 C ATOM 276 CD2 LEU A 23 -5.251 0.611 -0.213 1.00 0.00 C ATOM 0 H LEU A 23 -5.658 5.550 -0.289 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.781 4.082 2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.602 2.887 0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.212 3.311 -0.616 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.769 1.859 0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.699 0.318 2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.861 2.022 2.899 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.274 1.136 2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.770 -0.327 0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.333 0.484 -0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.939 0.896 -1.218 1.00 0.00 H new ATOM 288 N ASN A 24 -3.376 4.058 2.838 1.00 0.00 N ATOM 289 CA ASN A 24 -1.980 4.164 3.260 1.00 0.00 C ATOM 290 C ASN A 24 -1.399 2.790 3.549 1.00 0.00 C ATOM 291 O ASN A 24 -2.007 1.968 4.235 1.00 0.00 O ATOM 292 CB ASN A 24 -1.834 5.090 4.490 1.00 0.00 C ATOM 293 CG ASN A 24 -0.700 4.676 5.403 1.00 0.00 C ATOM 294 OD1 ASN A 24 -0.889 3.873 6.312 1.00 0.00 O ATOM 295 ND2 ASN A 24 0.482 5.225 5.173 1.00 0.00 N ATOM 0 H ASN A 24 -4.015 3.736 3.565 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.417 4.609 2.439 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.667 6.113 4.152 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.767 5.089 5.053 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.279 4.985 5.762 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.596 5.888 4.406 1.00 0.00 H new ATOM 302 N CYS A 25 -0.230 2.540 2.988 1.00 0.00 N ATOM 303 CA CYS A 25 0.506 1.313 3.239 1.00 0.00 C ATOM 304 C CYS A 25 1.859 1.664 3.855 1.00 0.00 C ATOM 305 O CYS A 25 2.677 2.328 3.215 1.00 0.00 O ATOM 306 CB CYS A 25 0.706 0.555 1.917 1.00 0.00 C ATOM 307 SG CYS A 25 1.813 -0.885 2.032 1.00 0.00 S ATOM 0 H CYS A 25 0.236 3.181 2.346 1.00 0.00 H new ATOM 0 HA CYS A 25 -0.051 0.677 3.928 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.266 0.222 1.553 1.00 0.00 H new ATOM 0 HB3 CYS A 25 1.105 1.245 1.174 1.00 0.00 H new ATOM 312 N TYR A 26 2.093 1.251 5.097 1.00 0.00 N ATOM 313 CA TYR A 26 3.379 1.511 5.739 1.00 0.00 C ATOM 314 C TYR A 26 4.288 0.313 5.554 1.00 0.00 C ATOM 315 O TYR A 26 3.984 -0.785 6.024 1.00 0.00 O ATOM 316 CB TYR A 26 3.258 1.776 7.248 1.00 0.00 C ATOM 317 CG TYR A 26 2.597 3.079 7.664 1.00 0.00 C ATOM 318 CD1 TYR A 26 1.370 3.075 8.316 1.00 0.00 C ATOM 319 CD2 TYR A 26 3.219 4.308 7.446 1.00 0.00 C ATOM 320 CE1 TYR A 26 0.776 4.254 8.733 1.00 0.00 C ATOM 321 CE2 TYR A 26 2.626 5.492 7.859 1.00 0.00 C ATOM 322 CZ TYR A 26 1.409 5.457 8.502 1.00 0.00 C ATOM 323 OH TYR A 26 0.823 6.632 8.913 1.00 0.00 O ATOM 0 H TYR A 26 1.421 0.743 5.672 1.00 0.00 H new ATOM 0 HA TYR A 26 3.783 2.406 5.266 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.698 0.954 7.693 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.259 1.750 7.679 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.871 2.135 8.501 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.177 4.338 6.948 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.179 4.232 9.237 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.117 6.437 7.677 1.00 0.00 H new ATOM 0 HH TYR A 26 1.401 7.387 8.674 1.00 0.00 H new ATOM 333 N VAL A 27 5.399 0.521 4.884 1.00 0.00 N ATOM 334 CA VAL A 27 6.381 -0.527 4.692 1.00 0.00 C ATOM 335 C VAL A 27 7.675 -0.067 5.361 1.00 0.00 C ATOM 336 O VAL A 27 8.293 0.879 4.909 1.00 0.00 O ATOM 337 CB VAL A 27 6.617 -0.791 3.181 1.00 0.00 C ATOM 338 CG1 VAL A 27 7.642 -1.890 2.963 1.00 0.00 C ATOM 339 CG2 VAL A 27 5.317 -1.144 2.473 1.00 0.00 C ATOM 0 H VAL A 27 5.648 1.414 4.459 1.00 0.00 H new ATOM 0 HA VAL A 27 6.030 -1.460 5.132 1.00 0.00 H new ATOM 0 HB VAL A 27 7.006 0.132 2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.783 -2.049 1.894 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.590 -1.598 3.415 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.290 -2.813 3.424 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.515 -1.323 1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.892 -2.043 2.920 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.612 -0.319 2.575 1.00 0.00 H new ATOM 349 N SER A 28 8.067 -0.681 6.464 1.00 0.00 N ATOM 350 CA SER A 28 9.200 -0.161 7.218 1.00 0.00 C ATOM 351 C SER A 28 10.266 -1.229 7.459 1.00 0.00 C ATOM 352 O SER A 28 9.961 -2.419 7.570 1.00 0.00 O ATOM 353 CB SER A 28 8.717 0.427 8.547 1.00 0.00 C ATOM 354 OG SER A 28 9.747 1.158 9.195 1.00 0.00 O ATOM 0 H SER A 28 7.633 -1.518 6.852 1.00 0.00 H new ATOM 0 HA SER A 28 9.663 0.626 6.623 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.863 1.080 8.369 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.374 -0.376 9.199 1.00 0.00 H new ATOM 0 HG SER A 28 10.106 1.832 8.581 1.00 0.00 H new ATOM 360 N GLY A 29 11.518 -0.784 7.529 1.00 0.00 N ATOM 361 CA GLY A 29 12.637 -1.684 7.754 1.00 0.00 C ATOM 362 C GLY A 29 13.350 -2.036 6.467 1.00 0.00 C ATOM 363 O GLY A 29 14.467 -2.551 6.481 1.00 0.00 O ATOM 0 H GLY A 29 11.780 0.197 7.432 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.342 -1.220 8.444 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.278 -2.596 8.231 1.00 0.00 H new ATOM 367 N PHE A 30 12.706 -1.736 5.351 1.00 0.00 N ATOM 368 CA PHE A 30 13.244 -2.059 4.040 1.00 0.00 C ATOM 369 C PHE A 30 13.857 -0.823 3.406 1.00 0.00 C ATOM 370 O PHE A 30 13.524 0.301 3.781 1.00 0.00 O ATOM 371 CB PHE A 30 12.135 -2.599 3.137 1.00 0.00 C ATOM 372 CG PHE A 30 11.422 -3.809 3.707 1.00 0.00 C ATOM 373 CD1 PHE A 30 11.800 -5.095 3.339 1.00 0.00 C ATOM 374 CD2 PHE A 30 10.379 -3.660 4.617 1.00 0.00 C ATOM 375 CE1 PHE A 30 11.149 -6.204 3.861 1.00 0.00 C ATOM 376 CE2 PHE A 30 9.728 -4.765 5.143 1.00 0.00 C ATOM 377 CZ PHE A 30 10.115 -6.036 4.762 1.00 0.00 C ATOM 0 H PHE A 30 11.802 -1.265 5.328 1.00 0.00 H new ATOM 0 HA PHE A 30 14.015 -2.820 4.158 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.406 -1.809 2.959 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.562 -2.862 2.169 1.00 0.00 H new ATOM 0 HD1 PHE A 30 12.610 -5.233 2.638 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.073 -2.669 4.918 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.450 -7.197 3.563 1.00 0.00 H new ATOM 0 HE2 PHE A 30 8.921 -4.633 5.848 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.609 -6.899 5.169 1.00 0.00 H new ATOM 387 N HIS A 31 14.736 -1.032 2.435 1.00 0.00 N ATOM 388 CA HIS A 31 15.374 0.097 1.745 1.00 0.00 C ATOM 389 C HIS A 31 14.585 0.421 0.484 1.00 0.00 C ATOM 390 O HIS A 31 14.578 -0.355 -0.468 1.00 0.00 O ATOM 391 CB HIS A 31 16.875 -0.147 1.435 1.00 0.00 C ATOM 392 CG HIS A 31 17.431 0.776 0.394 1.00 0.00 C ATOM 393 ND1 HIS A 31 17.855 0.306 -0.817 1.00 0.00 N ATOM 394 CD2 HIS A 31 17.605 2.119 0.434 1.00 0.00 C ATOM 395 CE1 HIS A 31 18.277 1.360 -1.488 1.00 0.00 C ATOM 396 NE2 HIS A 31 18.143 2.486 -0.771 1.00 0.00 N ATOM 0 H HIS A 31 15.024 -1.954 2.107 1.00 0.00 H new ATOM 0 HA HIS A 31 15.356 0.955 2.417 1.00 0.00 H new ATOM 0 HB2 HIS A 31 17.450 -0.033 2.354 1.00 0.00 H new ATOM 0 HB3 HIS A 31 17.006 -1.177 1.103 1.00 0.00 H new ATOM 0 HD1 HIS A 31 17.847 -0.663 -1.137 1.00 0.00 H new ATOM 0 HD2 HIS A 31 17.365 2.775 1.258 1.00 0.00 H new ATOM 0 HE1 HIS A 31 18.680 1.322 -2.489 1.00 0.00 H new ATOM 404 N PRO A 32 13.932 1.597 0.486 1.00 0.00 N ATOM 405 CA PRO A 32 12.912 1.987 -0.501 1.00 0.00 C ATOM 406 C PRO A 32 13.256 1.659 -1.954 1.00 0.00 C ATOM 407 O PRO A 32 12.399 1.191 -2.707 1.00 0.00 O ATOM 408 CB PRO A 32 12.822 3.503 -0.320 1.00 0.00 C ATOM 409 CG PRO A 32 13.166 3.734 1.108 1.00 0.00 C ATOM 410 CD PRO A 32 14.158 2.665 1.483 1.00 0.00 C ATOM 0 HA PRO A 32 11.988 1.436 -0.327 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.514 4.023 -0.983 1.00 0.00 H new ATOM 0 HB3 PRO A 32 11.822 3.871 -0.551 1.00 0.00 H new ATOM 0 HG2 PRO A 32 13.593 4.727 1.249 1.00 0.00 H new ATOM 0 HG3 PRO A 32 12.277 3.677 1.736 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.181 3.039 1.442 1.00 0.00 H new ATOM 0 HD3 PRO A 32 13.991 2.305 2.498 1.00 0.00 H new ATOM 418 N SER A 33 14.498 1.890 -2.342 1.00 0.00 N ATOM 419 CA SER A 33 14.878 1.816 -3.741 1.00 0.00 C ATOM 420 C SER A 33 14.958 0.359 -4.247 1.00 0.00 C ATOM 421 O SER A 33 14.814 0.118 -5.445 1.00 0.00 O ATOM 422 CB SER A 33 16.208 2.561 -3.939 1.00 0.00 C ATOM 423 OG SER A 33 16.343 3.599 -2.976 1.00 0.00 O ATOM 0 H SER A 33 15.260 2.130 -1.708 1.00 0.00 H new ATOM 0 HA SER A 33 14.105 2.297 -4.340 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.040 1.863 -3.849 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.251 2.981 -4.944 1.00 0.00 H new ATOM 0 HG SER A 33 16.849 3.267 -2.206 1.00 0.00 H new ATOM 429 N ASP A 34 15.178 -0.614 -3.352 1.00 0.00 N ATOM 430 CA ASP A 34 15.266 -2.021 -3.777 1.00 0.00 C ATOM 431 C ASP A 34 14.017 -2.830 -3.427 1.00 0.00 C ATOM 432 O ASP A 34 14.079 -4.059 -3.360 1.00 0.00 O ATOM 433 CB ASP A 34 16.491 -2.728 -3.169 1.00 0.00 C ATOM 434 CG ASP A 34 17.801 -2.308 -3.804 1.00 0.00 C ATOM 435 OD1 ASP A 34 18.505 -1.453 -3.231 1.00 0.00 O ATOM 436 OD2 ASP A 34 18.147 -2.847 -4.876 1.00 0.00 O ATOM 0 H ASP A 34 15.296 -0.460 -2.351 1.00 0.00 H new ATOM 0 HA ASP A 34 15.362 -1.982 -4.862 1.00 0.00 H new ATOM 0 HB2 ASP A 34 16.530 -2.518 -2.100 1.00 0.00 H new ATOM 0 HB3 ASP A 34 16.371 -3.806 -3.278 1.00 0.00 H new ATOM 441 N ILE A 35 12.889 -2.169 -3.197 1.00 0.00 N ATOM 442 CA ILE A 35 11.663 -2.899 -2.881 1.00 0.00 C ATOM 443 C ILE A 35 10.545 -2.563 -3.864 1.00 0.00 C ATOM 444 O ILE A 35 10.600 -1.557 -4.573 1.00 0.00 O ATOM 445 CB ILE A 35 11.168 -2.641 -1.425 1.00 0.00 C ATOM 446 CG1 ILE A 35 10.053 -1.578 -1.379 1.00 0.00 C ATOM 447 CG2 ILE A 35 12.322 -2.256 -0.507 1.00 0.00 C ATOM 448 CD1 ILE A 35 9.499 -1.352 0.012 1.00 0.00 C ATOM 0 H ILE A 35 12.795 -1.154 -3.222 1.00 0.00 H new ATOM 0 HA ILE A 35 11.915 -3.956 -2.969 1.00 0.00 H new ATOM 0 HB ILE A 35 10.745 -3.577 -1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.442 -0.636 -1.765 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.242 -1.883 -2.041 1.00 0.00 H new ATOM 0 HG21 ILE A 35 11.943 -2.083 0.500 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.055 -3.063 -0.486 1.00 0.00 H new ATOM 0 HG23 ILE A 35 12.794 -1.347 -0.878 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.718 -0.592 -0.026 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.080 -2.284 0.393 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.299 -1.017 0.672 1.00 0.00 H new ATOM 460 N GLU A 36 9.535 -3.423 -3.901 1.00 0.00 N ATOM 461 CA GLU A 36 8.378 -3.223 -4.759 1.00 0.00 C ATOM 462 C GLU A 36 7.098 -3.306 -3.934 1.00 0.00 C ATOM 463 O GLU A 36 6.794 -4.351 -3.363 1.00 0.00 O ATOM 464 CB GLU A 36 8.354 -4.274 -5.866 1.00 0.00 C ATOM 465 CG GLU A 36 9.504 -4.139 -6.858 1.00 0.00 C ATOM 466 CD GLU A 36 9.587 -5.316 -7.802 1.00 0.00 C ATOM 467 OE1 GLU A 36 10.269 -6.306 -7.461 1.00 0.00 O ATOM 468 OE2 GLU A 36 8.962 -5.261 -8.879 1.00 0.00 O ATOM 0 H GLU A 36 9.496 -4.274 -3.340 1.00 0.00 H new ATOM 0 HA GLU A 36 8.445 -2.235 -5.214 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.388 -5.266 -5.415 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.409 -4.201 -6.405 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.379 -3.222 -7.434 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.443 -4.047 -6.312 1.00 0.00 H new ATOM 475 N VAL A 37 6.369 -2.201 -3.857 1.00 0.00 N ATOM 476 CA VAL A 37 5.118 -2.149 -3.103 1.00 0.00 C ATOM 477 C VAL A 37 4.016 -1.513 -3.950 1.00 0.00 C ATOM 478 O VAL A 37 4.232 -0.479 -4.584 1.00 0.00 O ATOM 479 CB VAL A 37 5.282 -1.385 -1.752 1.00 0.00 C ATOM 480 CG1 VAL A 37 6.519 -0.507 -1.785 1.00 0.00 C ATOM 481 CG2 VAL A 37 4.043 -0.556 -1.423 1.00 0.00 C ATOM 0 H VAL A 37 6.622 -1.322 -4.309 1.00 0.00 H new ATOM 0 HA VAL A 37 4.835 -3.174 -2.862 1.00 0.00 H new ATOM 0 HB VAL A 37 5.401 -2.127 -0.963 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.618 0.018 -0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.401 -1.126 -1.951 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.429 0.219 -2.593 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.193 -0.038 -0.476 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.874 0.175 -2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.176 -1.212 -1.344 1.00 0.00 H new ATOM 491 N ASP A 38 2.845 -2.142 -3.969 1.00 0.00 N ATOM 492 CA ASP A 38 1.711 -1.633 -4.734 1.00 0.00 C ATOM 493 C ASP A 38 0.459 -1.633 -3.860 1.00 0.00 C ATOM 494 O ASP A 38 0.402 -2.332 -2.847 1.00 0.00 O ATOM 495 CB ASP A 38 1.418 -2.500 -5.982 1.00 0.00 C ATOM 496 CG ASP A 38 2.567 -2.635 -6.957 1.00 0.00 C ATOM 497 OD1 ASP A 38 3.060 -1.606 -7.458 1.00 0.00 O ATOM 498 OD2 ASP A 38 2.933 -3.793 -7.276 1.00 0.00 O ATOM 0 H ASP A 38 2.656 -3.007 -3.462 1.00 0.00 H new ATOM 0 HA ASP A 38 1.969 -0.624 -5.056 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.124 -3.496 -5.652 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.564 -2.074 -6.508 1.00 0.00 H new ATOM 503 N LEU A 39 -0.548 -0.875 -4.273 1.00 0.00 N ATOM 504 CA LEU A 39 -1.838 -0.878 -3.589 1.00 0.00 C ATOM 505 C LEU A 39 -2.844 -1.680 -4.424 1.00 0.00 C ATOM 506 O LEU A 39 -3.012 -1.423 -5.618 1.00 0.00 O ATOM 507 CB LEU A 39 -2.342 0.552 -3.342 1.00 0.00 C ATOM 508 CG LEU A 39 -1.839 1.228 -2.044 1.00 0.00 C ATOM 509 CD1 LEU A 39 -0.343 1.513 -2.081 1.00 0.00 C ATOM 510 CD2 LEU A 39 -2.598 2.513 -1.784 1.00 0.00 C ATOM 0 H LEU A 39 -0.498 -0.250 -5.078 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.723 -1.348 -2.612 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.049 1.172 -4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.432 0.535 -3.322 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.022 0.525 -1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.040 1.987 -1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.203 0.578 -2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.120 2.178 -2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.230 2.974 -0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.450 3.198 -2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.660 2.293 -1.679 1.00 0.00 H new ATOM 522 N LEU A 40 -3.487 -2.668 -3.803 1.00 0.00 N ATOM 523 CA LEU A 40 -4.318 -3.633 -4.526 1.00 0.00 C ATOM 524 C LEU A 40 -5.775 -3.660 -4.065 1.00 0.00 C ATOM 525 O LEU A 40 -6.147 -3.084 -3.041 1.00 0.00 O ATOM 526 CB LEU A 40 -3.794 -5.060 -4.338 1.00 0.00 C ATOM 527 CG LEU A 40 -2.352 -5.348 -4.748 1.00 0.00 C ATOM 528 CD1 LEU A 40 -2.197 -6.843 -4.980 1.00 0.00 C ATOM 529 CD2 LEU A 40 -1.937 -4.581 -5.995 1.00 0.00 C ATOM 0 H LEU A 40 -3.449 -2.822 -2.795 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.269 -3.305 -5.564 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.901 -5.320 -3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.443 -5.732 -4.900 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.699 -5.015 -3.942 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.170 -7.061 -5.274 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.434 -7.380 -4.062 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.876 -7.161 -5.771 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.903 -4.822 -6.243 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.584 -4.860 -6.826 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.026 -3.510 -5.810 1.00 0.00 H new ATOM 541 N LYS A 41 -6.575 -4.379 -4.851 1.00 0.00 N ATOM 542 CA LYS A 41 -7.921 -4.788 -4.485 1.00 0.00 C ATOM 543 C LYS A 41 -7.990 -6.279 -4.656 1.00 0.00 C ATOM 544 O LYS A 41 -7.987 -6.733 -5.792 1.00 0.00 O ATOM 545 CB LYS A 41 -8.980 -4.193 -5.425 1.00 0.00 C ATOM 546 CG LYS A 41 -8.595 -2.844 -6.011 1.00 0.00 C ATOM 547 CD LYS A 41 -9.629 -2.285 -7.017 1.00 0.00 C ATOM 548 CE LYS A 41 -11.071 -2.234 -6.468 1.00 0.00 C ATOM 549 NZ LYS A 41 -11.158 -1.500 -5.178 1.00 0.00 N ATOM 0 H LYS A 41 -6.295 -4.698 -5.779 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.119 -4.451 -3.468 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.163 -4.893 -6.240 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.918 -4.087 -4.879 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.468 -2.128 -5.199 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.630 -2.936 -6.509 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.327 -1.280 -7.312 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.615 -2.900 -7.917 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.720 -1.754 -7.201 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.441 -3.250 -6.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.099 -1.066 -5.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.006 -2.162 -4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.430 -0.757 -5.151 1.00 0.00 H new ATOM 563 N ASN A 42 -8.077 -7.037 -3.562 1.00 0.00 N ATOM 564 CA ASN A 42 -8.129 -8.503 -3.640 1.00 0.00 C ATOM 565 C ASN A 42 -7.221 -9.051 -4.748 1.00 0.00 C ATOM 566 O ASN A 42 -7.642 -9.848 -5.588 1.00 0.00 O ATOM 567 CB ASN A 42 -9.589 -8.986 -3.808 1.00 0.00 C ATOM 568 CG ASN A 42 -10.398 -8.162 -4.798 1.00 0.00 C ATOM 569 OD1 ASN A 42 -10.536 -8.523 -5.963 1.00 0.00 O ATOM 570 ND2 ASN A 42 -10.915 -7.031 -4.330 1.00 0.00 N ATOM 0 H ASN A 42 -8.113 -6.665 -2.613 1.00 0.00 H new ATOM 0 HA ASN A 42 -7.747 -8.900 -2.700 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.583 -10.026 -4.135 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.084 -8.960 -2.837 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.453 -6.422 -4.947 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.774 -6.772 -3.354 1.00 0.00 H new ATOM 577 N GLY A 43 -5.961 -8.623 -4.710 1.00 0.00 N ATOM 578 CA GLY A 43 -4.990 -9.056 -5.698 1.00 0.00 C ATOM 579 C GLY A 43 -5.141 -8.432 -7.082 1.00 0.00 C ATOM 580 O GLY A 43 -4.742 -9.040 -8.072 1.00 0.00 O ATOM 0 H GLY A 43 -5.595 -7.980 -4.008 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.991 -8.831 -5.324 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.057 -10.139 -5.797 1.00 0.00 H new ATOM 584 N GLU A 44 -5.719 -7.242 -7.166 1.00 0.00 N ATOM 585 CA GLU A 44 -5.853 -6.545 -8.444 1.00 0.00 C ATOM 586 C GLU A 44 -5.258 -5.141 -8.318 1.00 0.00 C ATOM 587 O GLU A 44 -5.674 -4.369 -7.453 1.00 0.00 O ATOM 588 CB GLU A 44 -7.336 -6.487 -8.851 1.00 0.00 C ATOM 589 CG GLU A 44 -7.609 -5.829 -10.206 1.00 0.00 C ATOM 590 CD GLU A 44 -6.869 -6.497 -11.346 1.00 0.00 C ATOM 591 OE1 GLU A 44 -6.012 -5.833 -11.969 1.00 0.00 O ATOM 592 OE2 GLU A 44 -7.136 -7.685 -11.623 1.00 0.00 O ATOM 0 H GLU A 44 -6.103 -6.737 -6.367 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.310 -7.083 -9.222 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.732 -7.502 -8.871 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.887 -5.945 -8.083 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.680 -5.857 -10.409 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.321 -4.779 -10.159 1.00 0.00 H new ATOM 599 N ARG A 45 -4.256 -4.835 -9.149 1.00 0.00 N ATOM 600 CA ARG A 45 -3.569 -3.552 -9.094 1.00 0.00 C ATOM 601 C ARG A 45 -4.543 -2.412 -9.387 1.00 0.00 C ATOM 602 O ARG A 45 -5.141 -2.339 -10.460 1.00 0.00 O ATOM 603 CB ARG A 45 -2.387 -3.535 -10.098 1.00 0.00 C ATOM 604 CG ARG A 45 -1.259 -2.584 -9.700 1.00 0.00 C ATOM 605 CD ARG A 45 -0.003 -2.683 -10.595 1.00 0.00 C ATOM 606 NE ARG A 45 1.100 -3.378 -9.933 1.00 0.00 N ATOM 607 CZ ARG A 45 2.188 -3.813 -10.571 1.00 0.00 C ATOM 608 NH1 ARG A 45 2.226 -3.824 -11.898 1.00 0.00 N ATOM 609 NH2 ARG A 45 3.239 -4.236 -9.880 1.00 0.00 N ATOM 0 H ARG A 45 -3.905 -5.466 -9.870 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.171 -3.410 -8.089 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.985 -4.544 -10.190 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.761 -3.250 -11.081 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.634 -1.561 -9.730 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.973 -2.788 -8.668 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.257 -3.206 -11.517 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.319 -1.680 -10.876 1.00 0.00 H new ATOM 0 HE ARG A 45 1.034 -3.539 -8.928 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.421 -3.499 -12.434 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.060 -4.157 -12.382 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.215 -4.229 -8.860 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.070 -4.568 -10.369 1.00 0.00 H new ATOM 623 N ILE A 46 -4.688 -1.540 -8.388 1.00 0.00 N ATOM 624 CA ILE A 46 -5.624 -0.420 -8.427 1.00 0.00 C ATOM 625 C ILE A 46 -5.374 0.500 -9.623 1.00 0.00 C ATOM 626 O ILE A 46 -6.248 0.623 -10.474 1.00 0.00 O ATOM 627 CB ILE A 46 -5.562 0.374 -7.098 1.00 0.00 C ATOM 628 CG1 ILE A 46 -5.961 -0.554 -5.940 1.00 0.00 C ATOM 629 CG2 ILE A 46 -6.462 1.610 -7.143 1.00 0.00 C ATOM 630 CD1 ILE A 46 -5.883 0.066 -4.568 1.00 0.00 C ATOM 0 H ILE A 46 -4.153 -1.594 -7.521 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.626 -0.832 -8.549 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.543 0.728 -6.945 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.981 -0.901 -6.108 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.318 -1.434 -5.961 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.395 2.144 -6.195 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.140 2.265 -7.952 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.494 1.303 -7.314 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.184 -0.667 -3.820 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.860 0.387 -4.371 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.549 0.928 -4.520 1.00 0.00 H new ATOM 642 N GLU A 47 -4.245 1.224 -9.578 1.00 0.00 N ATOM 643 CA GLU A 47 -3.618 1.917 -10.738 1.00 0.00 C ATOM 644 C GLU A 47 -3.368 3.381 -10.399 1.00 0.00 C ATOM 645 O GLU A 47 -2.360 3.950 -10.810 1.00 0.00 O ATOM 646 CB GLU A 47 -4.418 1.873 -12.060 1.00 0.00 C ATOM 647 CG GLU A 47 -4.501 0.509 -12.733 1.00 0.00 C ATOM 648 CD GLU A 47 -4.609 0.613 -14.238 1.00 0.00 C ATOM 649 OE1 GLU A 47 -3.563 0.780 -14.904 1.00 0.00 O ATOM 650 OE2 GLU A 47 -5.738 0.531 -14.766 1.00 0.00 O ATOM 0 H GLU A 47 -3.720 1.354 -8.713 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.697 1.361 -10.912 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.431 2.223 -11.863 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.968 2.577 -12.760 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.618 -0.075 -12.475 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.365 -0.032 -12.346 1.00 0.00 H new ATOM 657 N LYS A 48 -4.278 3.997 -9.640 1.00 0.00 N ATOM 658 CA LYS A 48 -4.183 5.422 -9.347 1.00 0.00 C ATOM 659 C LYS A 48 -3.248 5.652 -8.169 1.00 0.00 C ATOM 660 O LYS A 48 -3.622 6.303 -7.193 1.00 0.00 O ATOM 661 CB LYS A 48 -5.563 6.007 -8.996 1.00 0.00 C ATOM 662 CG LYS A 48 -6.713 5.593 -9.923 1.00 0.00 C ATOM 663 CD LYS A 48 -6.339 5.721 -11.387 1.00 0.00 C ATOM 664 CE LYS A 48 -7.562 5.613 -12.289 1.00 0.00 C ATOM 665 NZ LYS A 48 -7.188 5.493 -13.722 1.00 0.00 N ATOM 0 H LYS A 48 -5.083 3.531 -9.221 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.797 5.918 -10.238 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.816 5.710 -7.978 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.489 7.094 -9.002 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.996 4.562 -9.710 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.586 6.213 -9.717 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.846 6.678 -11.555 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.622 4.943 -11.650 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.154 4.746 -11.995 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.193 6.491 -12.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.049 5.422 -14.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.645 6.332 -14.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.608 4.641 -13.859 1.00 0.00 H new ATOM 679 N VAL A 49 -2.035 5.143 -8.259 1.00 0.00 N ATOM 680 CA VAL A 49 -1.112 5.233 -7.149 1.00 0.00 C ATOM 681 C VAL A 49 0.139 5.949 -7.619 1.00 0.00 C ATOM 682 O VAL A 49 0.684 5.636 -8.676 1.00 0.00 O ATOM 683 CB VAL A 49 -0.781 3.840 -6.527 1.00 0.00 C ATOM 684 CG1 VAL A 49 0.656 3.408 -6.772 1.00 0.00 C ATOM 685 CG2 VAL A 49 -1.059 3.854 -5.036 1.00 0.00 C ATOM 0 H VAL A 49 -1.669 4.667 -9.083 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.583 5.802 -6.348 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.426 3.115 -7.024 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.825 2.433 -6.316 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.839 3.344 -7.845 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.335 4.138 -6.331 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.825 2.877 -4.613 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.441 4.614 -4.558 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.111 4.081 -4.864 1.00 0.00 H new ATOM 695 N GLU A 50 0.551 6.941 -6.865 1.00 0.00 N ATOM 696 CA GLU A 50 1.694 7.754 -7.254 1.00 0.00 C ATOM 697 C GLU A 50 2.493 8.242 -6.059 1.00 0.00 C ATOM 698 O GLU A 50 2.005 9.022 -5.244 1.00 0.00 O ATOM 699 CB GLU A 50 1.239 8.950 -8.094 1.00 0.00 C ATOM 700 CG GLU A 50 1.164 8.654 -9.583 1.00 0.00 C ATOM 701 CD GLU A 50 2.518 8.290 -10.162 1.00 0.00 C ATOM 702 OE1 GLU A 50 2.637 7.224 -10.801 1.00 0.00 O ATOM 703 OE2 GLU A 50 3.478 9.070 -9.969 1.00 0.00 O ATOM 0 H GLU A 50 0.118 7.209 -5.981 1.00 0.00 H new ATOM 0 HA GLU A 50 2.347 7.115 -7.848 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.258 9.275 -7.747 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.926 9.780 -7.931 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.465 7.835 -9.755 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.769 9.525 -10.106 1.00 0.00 H new ATOM 710 N HIS A 51 3.717 7.758 -5.960 1.00 0.00 N ATOM 711 CA HIS A 51 4.698 8.302 -5.049 1.00 0.00 C ATOM 712 C HIS A 51 6.059 7.895 -5.564 1.00 0.00 C ATOM 713 O HIS A 51 6.255 6.742 -5.950 1.00 0.00 O ATOM 714 CB HIS A 51 4.480 7.786 -3.626 1.00 0.00 C ATOM 715 CG HIS A 51 5.105 8.655 -2.566 1.00 0.00 C ATOM 716 ND1 HIS A 51 4.333 9.502 -1.801 1.00 0.00 N ATOM 717 CD2 HIS A 51 6.405 8.780 -2.180 1.00 0.00 C ATOM 718 CE1 HIS A 51 5.168 10.113 -0.981 1.00 0.00 C ATOM 719 NE2 HIS A 51 6.429 9.709 -1.175 1.00 0.00 N ATOM 0 H HIS A 51 4.057 6.972 -6.514 1.00 0.00 H new ATOM 0 HA HIS A 51 4.610 9.388 -5.004 1.00 0.00 H new ATOM 0 HB2 HIS A 51 3.409 7.710 -3.436 1.00 0.00 H new ATOM 0 HB3 HIS A 51 4.890 6.779 -3.547 1.00 0.00 H new ATOM 0 HD2 HIS A 51 7.253 8.249 -2.588 1.00 0.00 H new ATOM 0 HE1 HIS A 51 4.871 10.847 -0.246 1.00 0.00 H new ATOM 0 HE2 HIS A 51 7.253 10.033 -0.669 1.00 0.00 H new ATOM 727 N SER A 52 6.989 8.823 -5.592 1.00 0.00 N ATOM 728 CA SER A 52 8.268 8.554 -6.206 1.00 0.00 C ATOM 729 C SER A 52 9.281 8.130 -5.160 1.00 0.00 C ATOM 730 O SER A 52 9.623 8.888 -4.250 1.00 0.00 O ATOM 731 CB SER A 52 8.753 9.802 -6.944 1.00 0.00 C ATOM 732 OG SER A 52 7.745 10.299 -7.812 1.00 0.00 O ATOM 0 H SER A 52 6.886 9.760 -5.202 1.00 0.00 H new ATOM 0 HA SER A 52 8.156 7.738 -6.920 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.030 10.571 -6.223 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.649 9.565 -7.518 1.00 0.00 H new ATOM 0 HG SER A 52 8.075 11.098 -8.273 1.00 0.00 H new ATOM 738 N ASP A 53 9.731 6.893 -5.297 1.00 0.00 N ATOM 739 CA ASP A 53 10.773 6.338 -4.452 1.00 0.00 C ATOM 740 C ASP A 53 12.095 7.032 -4.722 1.00 0.00 C ATOM 741 O ASP A 53 12.267 7.690 -5.749 1.00 0.00 O ATOM 742 CB ASP A 53 10.906 4.823 -4.671 1.00 0.00 C ATOM 743 CG ASP A 53 10.306 4.360 -5.984 1.00 0.00 C ATOM 744 OD1 ASP A 53 10.990 4.432 -7.022 1.00 0.00 O ATOM 745 OD2 ASP A 53 9.138 3.919 -5.977 1.00 0.00 O ATOM 0 H ASP A 53 9.381 6.244 -6.001 1.00 0.00 H new ATOM 0 HA ASP A 53 10.496 6.507 -3.411 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.960 4.548 -4.643 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.418 4.298 -3.850 1.00 0.00 H new ATOM 750 N LEU A 54 13.039 6.875 -3.811 1.00 0.00 N ATOM 751 CA LEU A 54 14.287 7.619 -3.890 1.00 0.00 C ATOM 752 C LEU A 54 15.399 6.723 -4.425 1.00 0.00 C ATOM 753 O LEU A 54 16.482 6.650 -3.863 1.00 0.00 O ATOM 754 CB LEU A 54 14.668 8.272 -2.529 1.00 0.00 C ATOM 755 CG LEU A 54 14.475 7.457 -1.214 1.00 0.00 C ATOM 756 CD1 LEU A 54 13.014 7.406 -0.765 1.00 0.00 C ATOM 757 CD2 LEU A 54 15.029 6.044 -1.325 1.00 0.00 C ATOM 0 H LEU A 54 12.968 6.244 -3.013 1.00 0.00 H new ATOM 0 HA LEU A 54 14.146 8.442 -4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 54 15.718 8.560 -2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 54 14.090 9.191 -2.433 1.00 0.00 H new ATOM 0 HG LEU A 54 15.045 7.992 -0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 54 12.936 6.827 0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 54 12.652 8.419 -0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 54 12.411 6.936 -1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 54 14.871 5.516 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 54 14.517 5.515 -2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 54 16.096 6.088 -1.542 1.00 0.00 H new ATOM 769 N SER A 55 15.088 6.022 -5.507 1.00 0.00 N ATOM 770 CA SER A 55 16.040 5.164 -6.214 1.00 0.00 C ATOM 771 C SER A 55 17.410 5.832 -6.405 1.00 0.00 C ATOM 772 O SER A 55 18.445 5.170 -6.349 1.00 0.00 O ATOM 773 CB SER A 55 15.444 4.796 -7.569 1.00 0.00 C ATOM 774 OG SER A 55 14.041 4.616 -7.451 1.00 0.00 O ATOM 0 H SER A 55 14.158 6.031 -5.926 1.00 0.00 H new ATOM 0 HA SER A 55 16.210 4.273 -5.609 1.00 0.00 H new ATOM 0 HB2 SER A 55 15.658 5.581 -8.295 1.00 0.00 H new ATOM 0 HB3 SER A 55 15.906 3.882 -7.942 1.00 0.00 H new ATOM 0 HG SER A 55 13.667 4.382 -8.326 1.00 0.00 H new ATOM 780 N PHE A 56 17.406 7.147 -6.611 1.00 0.00 N ATOM 781 CA PHE A 56 18.639 7.909 -6.815 1.00 0.00 C ATOM 782 C PHE A 56 19.454 8.020 -5.524 1.00 0.00 C ATOM 783 O PHE A 56 20.600 8.473 -5.537 1.00 0.00 O ATOM 784 CB PHE A 56 18.305 9.318 -7.317 1.00 0.00 C ATOM 785 CG PHE A 56 17.389 9.342 -8.508 1.00 0.00 C ATOM 786 CD1 PHE A 56 16.022 9.510 -8.343 1.00 0.00 C ATOM 787 CD2 PHE A 56 17.891 9.198 -9.790 1.00 0.00 C ATOM 788 CE1 PHE A 56 15.176 9.533 -9.434 1.00 0.00 C ATOM 789 CE2 PHE A 56 17.050 9.220 -10.886 1.00 0.00 C ATOM 790 CZ PHE A 56 15.691 9.387 -10.707 1.00 0.00 C ATOM 0 H PHE A 56 16.557 7.712 -6.641 1.00 0.00 H new ATOM 0 HA PHE A 56 19.236 7.376 -7.556 1.00 0.00 H new ATOM 0 HB2 PHE A 56 17.844 9.882 -6.506 1.00 0.00 H new ATOM 0 HB3 PHE A 56 19.232 9.830 -7.574 1.00 0.00 H new ATOM 0 HD1 PHE A 56 15.615 9.624 -7.349 1.00 0.00 H new ATOM 0 HD2 PHE A 56 18.953 9.067 -9.935 1.00 0.00 H new ATOM 0 HE1 PHE A 56 14.114 9.665 -9.292 1.00 0.00 H new ATOM 0 HE2 PHE A 56 17.455 9.107 -11.881 1.00 0.00 H new ATOM 0 HZ PHE A 56 15.031 9.403 -11.562 1.00 0.00 H new ATOM 800 N SER A 57 18.864 7.599 -4.418 1.00 0.00 N ATOM 801 CA SER A 57 19.477 7.749 -3.110 1.00 0.00 C ATOM 802 C SER A 57 19.414 6.425 -2.351 1.00 0.00 C ATOM 803 O SER A 57 18.386 6.064 -1.778 1.00 0.00 O ATOM 804 CB SER A 57 18.754 8.854 -2.325 1.00 0.00 C ATOM 805 OG SER A 57 19.442 9.191 -1.131 1.00 0.00 O ATOM 0 H SER A 57 17.950 7.146 -4.402 1.00 0.00 H new ATOM 0 HA SER A 57 20.523 8.030 -3.230 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.658 9.741 -2.951 1.00 0.00 H new ATOM 0 HB3 SER A 57 17.744 8.525 -2.081 1.00 0.00 H new ATOM 0 HG SER A 57 18.953 9.898 -0.660 1.00 0.00 H new ATOM 811 N LYS A 58 20.514 5.692 -2.360 1.00 0.00 N ATOM 812 CA LYS A 58 20.563 4.398 -1.701 1.00 0.00 C ATOM 813 C LYS A 58 21.501 4.442 -0.500 1.00 0.00 C ATOM 814 O LYS A 58 22.615 3.918 -0.532 1.00 0.00 O ATOM 815 CB LYS A 58 20.968 3.302 -2.695 1.00 0.00 C ATOM 816 CG LYS A 58 22.185 3.643 -3.543 1.00 0.00 C ATOM 817 CD LYS A 58 22.448 2.568 -4.584 1.00 0.00 C ATOM 818 CE LYS A 58 23.687 2.880 -5.408 1.00 0.00 C ATOM 819 NZ LYS A 58 24.925 2.852 -4.585 1.00 0.00 N ATOM 0 H LYS A 58 21.383 5.970 -2.815 1.00 0.00 H new ATOM 0 HA LYS A 58 19.566 4.156 -1.331 1.00 0.00 H new ATOM 0 HB2 LYS A 58 21.170 2.384 -2.143 1.00 0.00 H new ATOM 0 HB3 LYS A 58 20.125 3.098 -3.356 1.00 0.00 H new ATOM 0 HG2 LYS A 58 22.030 4.602 -4.038 1.00 0.00 H new ATOM 0 HG3 LYS A 58 23.059 3.753 -2.901 1.00 0.00 H new ATOM 0 HD2 LYS A 58 22.572 1.604 -4.090 1.00 0.00 H new ATOM 0 HD3 LYS A 58 21.584 2.480 -5.243 1.00 0.00 H new ATOM 0 HE2 LYS A 58 23.774 2.157 -6.219 1.00 0.00 H new ATOM 0 HE3 LYS A 58 23.579 3.863 -5.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 25.757 2.850 -5.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 24.954 3.692 -3.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 24.931 1.995 -3.996 1.00 0.00 H new ATOM 833 N ASP A 59 21.035 5.088 0.560 1.00 0.00 N ATOM 834 CA ASP A 59 21.839 5.255 1.765 1.00 0.00 C ATOM 835 C ASP A 59 21.024 5.012 3.042 1.00 0.00 C ATOM 836 O ASP A 59 21.580 4.676 4.088 1.00 0.00 O ATOM 837 CB ASP A 59 22.470 6.659 1.781 1.00 0.00 C ATOM 838 CG ASP A 59 23.127 6.996 3.107 1.00 0.00 C ATOM 839 OD1 ASP A 59 22.568 7.814 3.868 1.00 0.00 O ATOM 840 OD2 ASP A 59 24.205 6.438 3.398 1.00 0.00 O ATOM 0 H ASP A 59 20.106 5.505 0.611 1.00 0.00 H new ATOM 0 HA ASP A 59 22.629 4.504 1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 59 23.212 6.727 0.986 1.00 0.00 H new ATOM 0 HB3 ASP A 59 21.701 7.400 1.564 1.00 0.00 H new ATOM 845 N TRP A 60 19.705 5.146 2.956 1.00 0.00 N ATOM 846 CA TRP A 60 18.860 5.058 4.144 1.00 0.00 C ATOM 847 C TRP A 60 17.564 4.323 3.828 1.00 0.00 C ATOM 848 O TRP A 60 17.162 4.219 2.669 1.00 0.00 O ATOM 849 CB TRP A 60 18.555 6.465 4.650 1.00 0.00 C ATOM 850 CG TRP A 60 18.465 6.608 6.145 1.00 0.00 C ATOM 851 CD1 TRP A 60 18.158 7.763 6.807 1.00 0.00 C ATOM 852 CD2 TRP A 60 18.691 5.606 7.172 1.00 0.00 C ATOM 853 NE1 TRP A 60 18.173 7.558 8.157 1.00 0.00 N ATOM 854 CE2 TRP A 60 18.498 6.252 8.416 1.00 0.00 C ATOM 855 CE3 TRP A 60 19.032 4.235 7.177 1.00 0.00 C ATOM 856 CZ2 TRP A 60 18.638 5.593 9.632 1.00 0.00 C ATOM 857 CZ3 TRP A 60 19.168 3.588 8.392 1.00 0.00 C ATOM 858 CH2 TRP A 60 18.969 4.264 9.602 1.00 0.00 C ATOM 0 H TRP A 60 19.200 5.314 2.086 1.00 0.00 H new ATOM 0 HA TRP A 60 19.389 4.499 4.916 1.00 0.00 H new ATOM 0 HB2 TRP A 60 19.328 7.140 4.283 1.00 0.00 H new ATOM 0 HB3 TRP A 60 17.612 6.793 4.213 1.00 0.00 H new ATOM 0 HD1 TRP A 60 17.935 8.706 6.330 1.00 0.00 H new ATOM 0 HE1 TRP A 60 17.973 8.267 8.863 1.00 0.00 H new ATOM 0 HE3 TRP A 60 19.184 3.702 6.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 18.491 6.111 10.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 19.433 2.541 8.408 1.00 0.00 H new ATOM 0 HH2 TRP A 60 19.079 3.726 10.532 1.00 0.00 H new ATOM 869 N SER A 61 16.915 3.835 4.870 1.00 0.00 N ATOM 870 CA SER A 61 15.727 3.017 4.734 1.00 0.00 C ATOM 871 C SER A 61 14.835 3.154 5.974 1.00 0.00 C ATOM 872 O SER A 61 14.951 2.357 6.906 1.00 0.00 O ATOM 873 CB SER A 61 16.156 1.563 4.547 1.00 0.00 C ATOM 874 OG SER A 61 17.223 1.227 5.420 1.00 0.00 O ATOM 0 H SER A 61 17.199 3.996 5.836 1.00 0.00 H new ATOM 0 HA SER A 61 15.151 3.347 3.869 1.00 0.00 H new ATOM 0 HB2 SER A 61 15.308 0.904 4.734 1.00 0.00 H new ATOM 0 HB3 SER A 61 16.463 1.402 3.514 1.00 0.00 H new ATOM 0 HG SER A 61 16.961 1.417 6.345 1.00 0.00 H new ATOM 880 N PHE A 62 13.964 4.164 6.014 1.00 0.00 N ATOM 881 CA PHE A 62 13.162 4.425 7.200 1.00 0.00 C ATOM 882 C PHE A 62 11.658 4.397 6.877 1.00 0.00 C ATOM 883 O PHE A 62 10.959 3.423 7.166 1.00 0.00 O ATOM 884 CB PHE A 62 13.566 5.789 7.803 1.00 0.00 C ATOM 885 CG PHE A 62 13.753 6.897 6.784 1.00 0.00 C ATOM 886 CD1 PHE A 62 12.778 7.868 6.599 1.00 0.00 C ATOM 887 CD2 PHE A 62 14.893 6.950 5.996 1.00 0.00 C ATOM 888 CE1 PHE A 62 12.935 8.862 5.654 1.00 0.00 C ATOM 889 CE2 PHE A 62 15.057 7.946 5.052 1.00 0.00 C ATOM 890 CZ PHE A 62 14.075 8.901 4.878 1.00 0.00 C ATOM 0 H PHE A 62 13.800 4.809 5.241 1.00 0.00 H new ATOM 0 HA PHE A 62 13.352 3.637 7.929 1.00 0.00 H new ATOM 0 HB2 PHE A 62 12.803 6.096 8.519 1.00 0.00 H new ATOM 0 HB3 PHE A 62 14.494 5.665 8.360 1.00 0.00 H new ATOM 0 HD1 PHE A 62 11.883 7.845 7.203 1.00 0.00 H new ATOM 0 HD2 PHE A 62 15.663 6.203 6.122 1.00 0.00 H new ATOM 0 HE1 PHE A 62 12.166 9.609 5.522 1.00 0.00 H new ATOM 0 HE2 PHE A 62 15.953 7.977 4.450 1.00 0.00 H new ATOM 0 HZ PHE A 62 14.199 9.676 4.136 1.00 0.00 H new ATOM 900 N TYR A 63 11.184 5.483 6.279 1.00 0.00 N ATOM 901 CA TYR A 63 9.781 5.680 5.947 1.00 0.00 C ATOM 902 C TYR A 63 9.496 5.247 4.509 1.00 0.00 C ATOM 903 O TYR A 63 10.420 4.983 3.740 1.00 0.00 O ATOM 904 CB TYR A 63 9.461 7.167 6.199 1.00 0.00 C ATOM 905 CG TYR A 63 7.988 7.547 6.198 1.00 0.00 C ATOM 906 CD1 TYR A 63 7.565 8.720 5.581 1.00 0.00 C ATOM 907 CD2 TYR A 63 7.029 6.750 6.822 1.00 0.00 C ATOM 908 CE1 TYR A 63 6.225 9.089 5.583 1.00 0.00 C ATOM 909 CE2 TYR A 63 5.691 7.113 6.826 1.00 0.00 C ATOM 910 CZ TYR A 63 5.298 8.281 6.207 1.00 0.00 C ATOM 911 OH TYR A 63 3.973 8.648 6.216 1.00 0.00 O ATOM 0 H TYR A 63 11.777 6.267 6.006 1.00 0.00 H new ATOM 0 HA TYR A 63 9.135 5.061 6.570 1.00 0.00 H new ATOM 0 HB2 TYR A 63 9.887 7.451 7.161 1.00 0.00 H new ATOM 0 HB3 TYR A 63 9.968 7.760 5.438 1.00 0.00 H new ATOM 0 HD1 TYR A 63 8.290 9.354 5.092 1.00 0.00 H new ATOM 0 HD2 TYR A 63 7.333 5.836 7.310 1.00 0.00 H new ATOM 0 HE1 TYR A 63 5.912 10.002 5.099 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.960 6.484 7.312 1.00 0.00 H new ATOM 0 HH TYR A 63 3.825 9.354 5.553 1.00 0.00 H new ATOM 921 N LEU A 64 8.210 5.279 4.155 1.00 0.00 N ATOM 922 CA LEU A 64 7.686 4.530 3.003 1.00 0.00 C ATOM 923 C LEU A 64 6.182 4.821 2.931 1.00 0.00 C ATOM 924 O LEU A 64 5.523 4.892 3.970 1.00 0.00 O ATOM 925 CB LEU A 64 8.082 3.038 2.985 1.00 0.00 C ATOM 926 CG LEU A 64 9.459 2.788 2.304 1.00 0.00 C ATOM 927 CD1 LEU A 64 10.149 1.515 2.780 1.00 0.00 C ATOM 928 CD2 LEU A 64 9.324 2.741 0.789 1.00 0.00 C ATOM 0 H LEU A 64 7.503 5.820 4.653 1.00 0.00 H new ATOM 0 HA LEU A 64 8.155 4.871 2.080 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.114 2.663 4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.314 2.469 2.461 1.00 0.00 H new ATOM 0 HG LEU A 64 10.082 3.632 2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.103 1.404 2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.322 1.575 3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.516 0.655 2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.302 2.565 0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.647 1.934 0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.926 3.690 0.430 1.00 0.00 H new ATOM 940 N LEU A 65 5.643 4.972 1.733 1.00 0.00 N ATOM 941 CA LEU A 65 4.364 5.677 1.618 1.00 0.00 C ATOM 942 C LEU A 65 3.907 5.761 0.171 1.00 0.00 C ATOM 943 O LEU A 65 4.617 6.312 -0.663 1.00 0.00 O ATOM 944 CB LEU A 65 4.440 7.052 2.247 1.00 0.00 C ATOM 945 CG LEU A 65 3.127 7.848 2.294 1.00 0.00 C ATOM 946 CD1 LEU A 65 2.306 7.479 3.524 1.00 0.00 C ATOM 947 CD2 LEU A 65 3.401 9.340 2.285 1.00 0.00 C ATOM 0 H LEU A 65 6.044 4.635 0.858 1.00 0.00 H new ATOM 0 HA LEU A 65 3.619 5.100 2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.812 6.943 3.266 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.178 7.639 1.700 1.00 0.00 H new ATOM 0 HG LEU A 65 2.553 7.590 1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.382 8.057 3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.068 6.416 3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.880 7.700 4.424 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.457 9.884 2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.003 9.605 3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.940 9.605 1.376 1.00 0.00 H new ATOM 959 N TYR A 66 2.766 5.202 -0.142 1.00 0.00 N ATOM 960 CA TYR A 66 2.162 5.406 -1.454 1.00 0.00 C ATOM 961 C TYR A 66 0.684 5.787 -1.285 1.00 0.00 C ATOM 962 O TYR A 66 0.056 5.354 -0.318 1.00 0.00 O ATOM 963 CB TYR A 66 2.317 4.125 -2.293 1.00 0.00 C ATOM 964 CG TYR A 66 3.773 3.798 -2.637 1.00 0.00 C ATOM 965 CD1 TYR A 66 4.642 3.250 -1.688 1.00 0.00 C ATOM 966 CD2 TYR A 66 4.277 4.044 -3.910 1.00 0.00 C ATOM 967 CE1 TYR A 66 5.964 2.960 -2.005 1.00 0.00 C ATOM 968 CE2 TYR A 66 5.593 3.757 -4.232 1.00 0.00 C ATOM 969 CZ TYR A 66 6.428 3.216 -3.278 1.00 0.00 C ATOM 970 OH TYR A 66 7.734 2.924 -3.599 1.00 0.00 O ATOM 0 H TYR A 66 2.230 4.602 0.485 1.00 0.00 H new ATOM 0 HA TYR A 66 2.665 6.220 -1.976 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.883 3.287 -1.747 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.748 4.233 -3.217 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.279 3.049 -0.691 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.629 4.468 -4.663 1.00 0.00 H new ATOM 0 HE1 TYR A 66 6.622 2.538 -1.260 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.964 3.956 -5.227 1.00 0.00 H new ATOM 0 HH TYR A 66 7.978 3.385 -4.429 1.00 0.00 H new ATOM 980 N TYR A 67 0.118 6.590 -2.201 1.00 0.00 N ATOM 981 CA TYR A 67 -1.265 7.038 -2.035 1.00 0.00 C ATOM 982 C TYR A 67 -2.115 6.746 -3.273 1.00 0.00 C ATOM 983 O TYR A 67 -1.658 6.919 -4.405 1.00 0.00 O ATOM 984 CB TYR A 67 -1.356 8.534 -1.640 1.00 0.00 C ATOM 985 CG TYR A 67 -0.778 9.564 -2.616 1.00 0.00 C ATOM 986 CD1 TYR A 67 0.389 10.260 -2.307 1.00 0.00 C ATOM 987 CD2 TYR A 67 -1.417 9.881 -3.819 1.00 0.00 C ATOM 988 CE1 TYR A 67 0.897 11.226 -3.157 1.00 0.00 C ATOM 989 CE2 TYR A 67 -0.906 10.842 -4.673 1.00 0.00 C ATOM 990 CZ TYR A 67 0.246 11.509 -4.335 1.00 0.00 C ATOM 991 OH TYR A 67 0.753 12.472 -5.175 1.00 0.00 O ATOM 0 H TYR A 67 0.585 6.932 -3.041 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.675 6.458 -1.208 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.407 8.776 -1.481 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.851 8.659 -0.682 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.907 10.041 -1.385 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.327 9.365 -4.087 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.801 11.756 -2.897 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.411 11.067 -5.601 1.00 0.00 H new ATOM 0 HH TYR A 67 0.179 12.552 -5.965 1.00 0.00 H new ATOM 1001 N THR A 68 -3.345 6.276 -3.045 1.00 0.00 N ATOM 1002 CA THR A 68 -4.300 6.035 -4.123 1.00 0.00 C ATOM 1003 C THR A 68 -5.713 6.429 -3.671 1.00 0.00 C ATOM 1004 O THR A 68 -6.088 6.227 -2.510 1.00 0.00 O ATOM 1005 CB THR A 68 -4.289 4.552 -4.593 1.00 0.00 C ATOM 1006 OG1 THR A 68 -4.879 4.449 -5.890 1.00 0.00 O ATOM 1007 CG2 THR A 68 -5.055 3.641 -3.656 1.00 0.00 C ATOM 0 H THR A 68 -3.702 6.054 -2.115 1.00 0.00 H new ATOM 0 HA THR A 68 -3.999 6.651 -4.970 1.00 0.00 H new ATOM 0 HB THR A 68 -3.246 4.237 -4.607 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.760 5.294 -6.372 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.016 2.618 -4.030 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.608 3.681 -2.663 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.094 3.967 -3.600 1.00 0.00 H new ATOM 1015 N GLU A 69 -6.457 7.058 -4.577 1.00 0.00 N ATOM 1016 CA GLU A 69 -7.866 7.396 -4.357 1.00 0.00 C ATOM 1017 C GLU A 69 -8.695 6.129 -4.152 1.00 0.00 C ATOM 1018 O GLU A 69 -8.608 5.206 -4.963 1.00 0.00 O ATOM 1019 CB GLU A 69 -8.400 8.125 -5.598 1.00 0.00 C ATOM 1020 CG GLU A 69 -9.667 8.937 -5.362 1.00 0.00 C ATOM 1021 CD GLU A 69 -9.379 10.310 -4.799 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -8.878 11.172 -5.556 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -9.664 10.541 -3.611 1.00 0.00 O ATOM 0 H GLU A 69 -6.102 7.350 -5.488 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.942 8.025 -3.470 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.623 8.790 -5.974 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.596 7.390 -6.379 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.209 9.040 -6.302 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.319 8.396 -4.676 1.00 0.00 H new ATOM 1030 N PHE A 70 -9.497 6.060 -3.089 1.00 0.00 N ATOM 1031 CA PHE A 70 -10.380 4.912 -2.913 1.00 0.00 C ATOM 1032 C PHE A 70 -11.818 5.326 -2.661 1.00 0.00 C ATOM 1033 O PHE A 70 -12.081 6.443 -2.229 1.00 0.00 O ATOM 1034 CB PHE A 70 -9.885 4.012 -1.776 1.00 0.00 C ATOM 1035 CG PHE A 70 -10.108 4.504 -0.360 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -9.032 4.674 0.490 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -11.379 4.765 0.127 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -9.221 5.094 1.798 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -11.570 5.190 1.424 1.00 0.00 C ATOM 1040 CZ PHE A 70 -10.495 5.350 2.263 1.00 0.00 C ATOM 0 H PHE A 70 -9.553 6.767 -2.355 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.357 4.351 -3.848 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -10.370 3.041 -1.877 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.816 3.850 -1.914 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.032 4.478 0.132 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -12.233 4.633 -0.520 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.371 5.221 2.453 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -12.568 5.398 1.781 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.646 5.675 3.282 1.00 0.00 H new ATOM 1050 N THR A 71 -12.740 4.434 -2.991 1.00 0.00 N ATOM 1051 CA THR A 71 -14.128 4.564 -2.570 1.00 0.00 C ATOM 1052 C THR A 71 -14.693 3.196 -2.158 1.00 0.00 C ATOM 1053 O THR A 71 -14.848 2.314 -3.006 1.00 0.00 O ATOM 1054 CB THR A 71 -14.960 5.183 -3.717 1.00 0.00 C ATOM 1055 OG1 THR A 71 -14.373 6.436 -4.096 1.00 0.00 O ATOM 1056 CG2 THR A 71 -16.404 5.409 -3.305 1.00 0.00 C ATOM 0 H THR A 71 -12.550 3.605 -3.554 1.00 0.00 H new ATOM 0 HA THR A 71 -14.182 5.223 -1.703 1.00 0.00 H new ATOM 0 HB THR A 71 -14.956 4.487 -4.556 1.00 0.00 H new ATOM 0 HG1 THR A 71 -14.894 6.834 -4.824 1.00 0.00 H new ATOM 0 HG21 THR A 71 -16.956 5.845 -4.138 1.00 0.00 H new ATOM 0 HG22 THR A 71 -16.857 4.457 -3.028 1.00 0.00 H new ATOM 0 HG23 THR A 71 -16.437 6.088 -2.453 1.00 0.00 H new ATOM 1064 N PRO A 72 -14.975 2.973 -0.845 1.00 0.00 N ATOM 1065 CA PRO A 72 -15.428 1.666 -0.366 1.00 0.00 C ATOM 1066 C PRO A 72 -16.858 1.342 -0.751 1.00 0.00 C ATOM 1067 O PRO A 72 -17.744 2.196 -0.739 1.00 0.00 O ATOM 1068 CB PRO A 72 -15.292 1.723 1.161 1.00 0.00 C ATOM 1069 CG PRO A 72 -14.941 3.142 1.524 1.00 0.00 C ATOM 1070 CD PRO A 72 -14.871 3.962 0.258 1.00 0.00 C ATOM 0 HA PRO A 72 -14.828 0.878 -0.822 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -16.223 1.422 1.642 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.519 1.036 1.504 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.689 3.555 2.201 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.986 3.173 2.048 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.681 4.690 0.214 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.937 4.521 0.201 1.00 0.00 H new ATOM 1078 N THR A 73 -17.042 0.081 -1.086 1.00 0.00 N ATOM 1079 CA THR A 73 -18.339 -0.486 -1.405 1.00 0.00 C ATOM 1080 C THR A 73 -18.492 -1.748 -0.578 1.00 0.00 C ATOM 1081 O THR A 73 -17.514 -2.218 -0.012 1.00 0.00 O ATOM 1082 CB THR A 73 -18.445 -0.840 -2.907 1.00 0.00 C ATOM 1083 OG1 THR A 73 -17.592 -1.956 -3.191 1.00 0.00 O ATOM 1084 CG2 THR A 73 -18.047 0.349 -3.768 1.00 0.00 C ATOM 0 H THR A 73 -16.279 -0.593 -1.146 1.00 0.00 H new ATOM 0 HA THR A 73 -19.122 0.239 -1.182 1.00 0.00 H new ATOM 0 HB THR A 73 -19.478 -1.099 -3.138 1.00 0.00 H new ATOM 0 HG1 THR A 73 -17.247 -1.880 -4.105 1.00 0.00 H new ATOM 0 HG21 THR A 73 -18.128 0.079 -4.821 1.00 0.00 H new ATOM 0 HG22 THR A 73 -18.709 1.189 -3.556 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.018 0.632 -3.544 1.00 0.00 H new ATOM 1092 N GLU A 74 -19.685 -2.295 -0.487 1.00 0.00 N ATOM 1093 CA GLU A 74 -19.886 -3.561 0.199 1.00 0.00 C ATOM 1094 C GLU A 74 -19.013 -4.701 -0.396 1.00 0.00 C ATOM 1095 O GLU A 74 -18.871 -5.763 0.207 1.00 0.00 O ATOM 1096 CB GLU A 74 -21.393 -3.901 0.174 1.00 0.00 C ATOM 1097 CG GLU A 74 -21.719 -5.293 0.670 1.00 0.00 C ATOM 1098 CD GLU A 74 -21.438 -5.472 2.146 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -20.442 -6.144 2.489 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -22.211 -4.937 2.964 1.00 0.00 O ATOM 0 H GLU A 74 -20.533 -1.886 -0.878 1.00 0.00 H new ATOM 0 HA GLU A 74 -19.559 -3.463 1.234 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -21.929 -3.174 0.784 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -21.762 -3.794 -0.846 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -22.771 -5.505 0.477 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.138 -6.021 0.104 1.00 0.00 H new ATOM 1107 N LYS A 75 -18.395 -4.487 -1.561 1.00 0.00 N ATOM 1108 CA LYS A 75 -17.644 -5.575 -2.209 1.00 0.00 C ATOM 1109 C LYS A 75 -16.114 -5.385 -2.328 1.00 0.00 C ATOM 1110 O LYS A 75 -15.391 -6.381 -2.369 1.00 0.00 O ATOM 1111 CB LYS A 75 -18.215 -5.869 -3.598 1.00 0.00 C ATOM 1112 CG LYS A 75 -19.620 -6.484 -3.618 1.00 0.00 C ATOM 1113 CD LYS A 75 -19.631 -7.985 -3.284 1.00 0.00 C ATOM 1114 CE LYS A 75 -19.634 -8.295 -1.784 1.00 0.00 C ATOM 1115 NZ LYS A 75 -18.279 -8.274 -1.163 1.00 0.00 N ATOM 0 H LYS A 75 -18.395 -3.600 -2.065 1.00 0.00 H new ATOM 0 HA LYS A 75 -17.777 -6.414 -1.527 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -18.236 -4.940 -4.167 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -17.534 -6.545 -4.116 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.251 -5.955 -2.904 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.061 -6.335 -4.604 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -20.510 -8.441 -3.739 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -18.758 -8.453 -3.739 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -20.269 -7.570 -1.274 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -20.081 -9.277 -1.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -18.104 -9.179 -0.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -17.561 -8.130 -1.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -18.226 -7.498 -0.472 1.00 0.00 H new ATOM 1129 N ASP A 76 -15.600 -4.159 -2.402 1.00 0.00 N ATOM 1130 CA ASP A 76 -14.200 -3.977 -2.781 1.00 0.00 C ATOM 1131 C ASP A 76 -13.254 -3.982 -1.564 1.00 0.00 C ATOM 1132 O ASP A 76 -13.367 -3.153 -0.663 1.00 0.00 O ATOM 1133 CB ASP A 76 -13.995 -2.685 -3.580 1.00 0.00 C ATOM 1134 CG ASP A 76 -14.789 -2.639 -4.868 1.00 0.00 C ATOM 1135 OD1 ASP A 76 -15.787 -1.897 -4.938 1.00 0.00 O ATOM 1136 OD2 ASP A 76 -14.391 -3.326 -5.827 1.00 0.00 O ATOM 0 H ASP A 76 -16.114 -3.299 -2.211 1.00 0.00 H new ATOM 0 HA ASP A 76 -13.949 -4.831 -3.411 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.276 -1.835 -2.959 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -12.936 -2.575 -3.811 1.00 0.00 H new ATOM 1141 N GLU A 77 -12.282 -4.879 -1.609 1.00 0.00 N ATOM 1142 CA GLU A 77 -11.284 -5.078 -0.546 1.00 0.00 C ATOM 1143 C GLU A 77 -10.022 -4.308 -0.928 1.00 0.00 C ATOM 1144 O GLU A 77 -9.741 -4.146 -2.116 1.00 0.00 O ATOM 1145 CB GLU A 77 -10.956 -6.572 -0.440 1.00 0.00 C ATOM 1146 CG GLU A 77 -9.923 -6.938 0.624 1.00 0.00 C ATOM 1147 CD GLU A 77 -9.598 -8.409 0.590 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -8.694 -8.805 -0.177 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -10.255 -9.180 1.317 1.00 0.00 O ATOM 0 H GLU A 77 -12.154 -5.509 -2.401 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.668 -4.723 0.411 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.877 -7.116 -0.231 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.594 -6.918 -1.408 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.013 -6.359 0.465 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.303 -6.670 1.610 1.00 0.00 H new ATOM 1156 N TYR A 78 -9.277 -3.823 0.051 1.00 0.00 N ATOM 1157 CA TYR A 78 -8.039 -3.099 -0.235 1.00 0.00 C ATOM 1158 C TYR A 78 -6.841 -3.764 0.440 1.00 0.00 C ATOM 1159 O TYR A 78 -6.888 -4.093 1.627 1.00 0.00 O ATOM 1160 CB TYR A 78 -8.163 -1.629 0.195 1.00 0.00 C ATOM 1161 CG TYR A 78 -9.179 -0.850 -0.613 1.00 0.00 C ATOM 1162 CD1 TYR A 78 -10.537 -0.969 -0.349 1.00 0.00 C ATOM 1163 CD2 TYR A 78 -8.785 -0.010 -1.649 1.00 0.00 C ATOM 1164 CE1 TYR A 78 -11.472 -0.276 -1.096 1.00 0.00 C ATOM 1165 CE2 TYR A 78 -9.718 0.689 -2.392 1.00 0.00 C ATOM 1166 CZ TYR A 78 -11.056 0.549 -2.113 1.00 0.00 C ATOM 1167 OH TYR A 78 -11.986 1.233 -2.860 1.00 0.00 O ATOM 0 H TYR A 78 -9.500 -3.913 1.042 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.871 -3.130 -1.312 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.439 -1.588 1.249 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.190 -1.148 0.102 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -10.868 -1.613 0.452 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -7.735 0.098 -1.876 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -12.525 -0.383 -0.881 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -9.396 1.343 -3.189 1.00 0.00 H new ATOM 0 HH TYR A 78 -12.844 1.242 -2.386 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.775 -3.963 -0.336 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.578 -4.642 0.137 1.00 0.00 C ATOM 1179 C ALA A 79 -3.314 -3.907 -0.316 1.00 0.00 C ATOM 1180 O ALA A 79 -3.371 -3.077 -1.217 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.564 -6.065 -0.391 1.00 0.00 C ATOM 0 H ALA A 79 -5.721 -3.657 -1.308 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.592 -4.652 1.227 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.668 -6.575 -0.038 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.448 -6.594 -0.034 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.566 -6.049 -1.481 1.00 0.00 H new ATOM 1187 N CYS A 80 -2.179 -4.200 0.315 1.00 0.00 N ATOM 1188 CA CYS A 80 -0.899 -3.672 -0.150 1.00 0.00 C ATOM 1189 C CYS A 80 0.106 -4.815 -0.333 1.00 0.00 C ATOM 1190 O CYS A 80 0.266 -5.656 0.551 1.00 0.00 O ATOM 1191 CB CYS A 80 -0.361 -2.609 0.813 1.00 0.00 C ATOM 1192 SG CYS A 80 1.315 -2.015 0.421 1.00 0.00 S ATOM 0 H CYS A 80 -2.119 -4.794 1.142 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.051 -3.190 -1.116 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -1.043 -1.759 0.814 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.361 -3.019 1.823 1.00 0.00 H new ATOM 1197 N ARG A 81 0.728 -4.863 -1.506 1.00 0.00 N ATOM 1198 CA ARG A 81 1.656 -5.937 -1.873 1.00 0.00 C ATOM 1199 C ARG A 81 3.100 -5.445 -1.794 1.00 0.00 C ATOM 1200 O ARG A 81 3.420 -4.410 -2.368 1.00 0.00 O ATOM 1201 CB ARG A 81 1.351 -6.373 -3.307 1.00 0.00 C ATOM 1202 CG ARG A 81 1.893 -7.745 -3.715 1.00 0.00 C ATOM 1203 CD ARG A 81 1.288 -8.190 -5.051 1.00 0.00 C ATOM 1204 NE ARG A 81 1.583 -7.207 -6.095 1.00 0.00 N ATOM 1205 CZ ARG A 81 1.897 -7.511 -7.352 1.00 0.00 C ATOM 1206 NH1 ARG A 81 1.879 -8.772 -7.766 1.00 0.00 N ATOM 1207 NH2 ARG A 81 2.233 -6.544 -8.198 1.00 0.00 N ATOM 0 H ARG A 81 0.605 -4.159 -2.234 1.00 0.00 H new ATOM 0 HA ARG A 81 1.533 -6.772 -1.183 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.270 -6.375 -3.444 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.757 -5.625 -3.988 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.979 -7.703 -3.798 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.661 -8.478 -2.942 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.690 -9.163 -5.334 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.209 -8.309 -4.948 1.00 0.00 H new ATOM 0 HE ARG A 81 1.545 -6.220 -5.841 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.623 -9.518 -7.119 1.00 0.00 H new ATOM 0 HH12 ARG A 81 2.121 -8.995 -8.731 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.250 -5.574 -7.883 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.475 -6.771 -9.163 1.00 0.00 H new ATOM 1221 N VAL A 82 3.974 -6.173 -1.100 1.00 0.00 N ATOM 1222 CA VAL A 82 5.380 -5.773 -1.035 1.00 0.00 C ATOM 1223 C VAL A 82 6.314 -6.953 -1.286 1.00 0.00 C ATOM 1224 O VAL A 82 6.092 -8.063 -0.798 1.00 0.00 O ATOM 1225 CB VAL A 82 5.744 -5.080 0.310 1.00 0.00 C ATOM 1226 CG1 VAL A 82 6.055 -6.087 1.406 1.00 0.00 C ATOM 1227 CG2 VAL A 82 6.907 -4.122 0.123 1.00 0.00 C ATOM 0 H VAL A 82 3.742 -7.023 -0.586 1.00 0.00 H new ATOM 0 HA VAL A 82 5.520 -5.042 -1.831 1.00 0.00 H new ATOM 0 HB VAL A 82 4.868 -4.513 0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.304 -5.558 2.326 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.185 -6.721 1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.900 -6.705 1.103 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.145 -3.648 1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.777 -4.672 -0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.635 -3.357 -0.605 1.00 0.00 H new ATOM 1237 N ASN A 83 7.335 -6.694 -2.090 1.00 0.00 N ATOM 1238 CA ASN A 83 8.348 -7.693 -2.396 1.00 0.00 C ATOM 1239 C ASN A 83 9.743 -7.119 -2.289 1.00 0.00 C ATOM 1240 O ASN A 83 9.998 -5.970 -2.664 1.00 0.00 O ATOM 1241 CB ASN A 83 8.137 -8.283 -3.796 1.00 0.00 C ATOM 1242 CG ASN A 83 9.001 -9.509 -4.035 1.00 0.00 C ATOM 1243 OD1 ASN A 83 9.335 -10.236 -3.098 1.00 0.00 O ATOM 1244 ND2 ASN A 83 9.363 -9.752 -5.285 1.00 0.00 N ATOM 0 H ASN A 83 7.484 -5.793 -2.545 1.00 0.00 H new ATOM 0 HA ASN A 83 8.244 -8.489 -1.658 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.088 -8.549 -3.922 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.366 -7.526 -4.546 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.939 -10.566 -5.500 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.066 -9.126 -6.033 1.00 0.00 H new ATOM 1251 N HIS A 84 10.635 -7.938 -1.774 1.00 0.00 N ATOM 1252 CA HIS A 84 12.035 -7.603 -1.671 1.00 0.00 C ATOM 1253 C HIS A 84 12.831 -8.756 -2.264 1.00 0.00 C ATOM 1254 O HIS A 84 12.291 -9.858 -2.394 1.00 0.00 O ATOM 1255 CB HIS A 84 12.425 -7.374 -0.203 1.00 0.00 C ATOM 1256 CG HIS A 84 13.801 -6.805 -0.008 1.00 0.00 C ATOM 1257 ND1 HIS A 84 14.909 -7.617 0.041 1.00 0.00 N ATOM 1258 CD2 HIS A 84 14.189 -5.515 0.144 1.00 0.00 C ATOM 1259 CE1 HIS A 84 15.941 -6.810 0.220 1.00 0.00 C ATOM 1260 NE2 HIS A 84 15.554 -5.529 0.288 1.00 0.00 N ATOM 0 H HIS A 84 10.404 -8.863 -1.412 1.00 0.00 H new ATOM 0 HA HIS A 84 12.247 -6.681 -2.213 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.699 -6.701 0.252 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.358 -8.322 0.330 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.549 -4.645 0.151 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.966 -7.141 0.301 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.159 -4.718 0.421 1.00 0.00 H new ATOM 1268 N VAL A 85 14.079 -8.516 -2.631 1.00 0.00 N ATOM 1269 CA VAL A 85 14.932 -9.562 -3.207 1.00 0.00 C ATOM 1270 C VAL A 85 14.912 -10.842 -2.360 1.00 0.00 C ATOM 1271 O VAL A 85 14.982 -11.952 -2.894 1.00 0.00 O ATOM 1272 CB VAL A 85 16.395 -9.081 -3.362 1.00 0.00 C ATOM 1273 CG1 VAL A 85 17.273 -10.166 -3.981 1.00 0.00 C ATOM 1274 CG2 VAL A 85 16.454 -7.812 -4.195 1.00 0.00 C ATOM 0 H VAL A 85 14.532 -7.606 -2.543 1.00 0.00 H new ATOM 0 HA VAL A 85 14.522 -9.783 -4.193 1.00 0.00 H new ATOM 0 HB VAL A 85 16.782 -8.864 -2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 85 18.294 -9.797 -4.077 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.264 -11.049 -3.342 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.888 -10.427 -4.967 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.490 -7.489 -4.293 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.039 -8.006 -5.184 1.00 0.00 H new ATOM 0 HG23 VAL A 85 15.875 -7.029 -3.706 1.00 0.00 H new ATOM 1284 N THR A 86 14.767 -10.688 -1.048 1.00 0.00 N ATOM 1285 CA THR A 86 14.880 -11.826 -0.134 1.00 0.00 C ATOM 1286 C THR A 86 13.640 -12.736 -0.171 1.00 0.00 C ATOM 1287 O THR A 86 13.769 -13.936 -0.426 1.00 0.00 O ATOM 1288 CB THR A 86 15.159 -11.373 1.327 1.00 0.00 C ATOM 1289 OG1 THR A 86 15.129 -12.502 2.209 1.00 0.00 O ATOM 1290 CG2 THR A 86 14.155 -10.322 1.797 1.00 0.00 C ATOM 0 H THR A 86 14.573 -9.796 -0.594 1.00 0.00 H new ATOM 0 HA THR A 86 15.733 -12.405 -0.487 1.00 0.00 H new ATOM 0 HB THR A 86 16.151 -10.921 1.346 1.00 0.00 H new ATOM 0 HG1 THR A 86 15.307 -12.206 3.126 1.00 0.00 H new ATOM 0 HG21 THR A 86 14.385 -10.032 2.822 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.215 -9.447 1.150 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.148 -10.736 1.754 1.00 0.00 H new ATOM 1298 N LEU A 87 12.457 -12.170 0.110 1.00 0.00 N ATOM 1299 CA LEU A 87 11.212 -12.947 0.220 1.00 0.00 C ATOM 1300 C LEU A 87 11.032 -13.988 -0.879 1.00 0.00 C ATOM 1301 O LEU A 87 10.697 -15.132 -0.582 1.00 0.00 O ATOM 1302 CB LEU A 87 9.998 -12.022 0.210 1.00 0.00 C ATOM 1303 CG LEU A 87 9.989 -10.932 1.277 1.00 0.00 C ATOM 1304 CD1 LEU A 87 8.820 -9.999 1.048 1.00 0.00 C ATOM 1305 CD2 LEU A 87 9.926 -11.536 2.672 1.00 0.00 C ATOM 0 H LEU A 87 12.336 -11.169 0.266 1.00 0.00 H new ATOM 0 HA LEU A 87 11.292 -13.480 1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.934 -11.547 -0.769 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.101 -12.629 0.329 1.00 0.00 H new ATOM 0 HG LEU A 87 10.916 -10.364 1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.819 -9.223 1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.909 -9.539 0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.889 -10.563 1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.921 -10.738 3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.017 -12.129 2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.795 -12.174 2.832 1.00 0.00 H new ATOM 1317 N SER A 88 11.239 -13.575 -2.134 1.00 0.00 N ATOM 1318 CA SER A 88 10.983 -14.415 -3.313 1.00 0.00 C ATOM 1319 C SER A 88 9.488 -14.427 -3.648 1.00 0.00 C ATOM 1320 O SER A 88 9.102 -14.543 -4.813 1.00 0.00 O ATOM 1321 CB SER A 88 11.515 -15.847 -3.122 1.00 0.00 C ATOM 1322 OG SER A 88 11.210 -16.672 -4.235 1.00 0.00 O ATOM 0 H SER A 88 11.590 -12.645 -2.363 1.00 0.00 H new ATOM 0 HA SER A 88 11.524 -13.980 -4.153 1.00 0.00 H new ATOM 0 HB2 SER A 88 12.595 -15.818 -2.976 1.00 0.00 H new ATOM 0 HB3 SER A 88 11.082 -16.279 -2.219 1.00 0.00 H new ATOM 0 HG SER A 88 11.563 -17.573 -4.081 1.00 0.00 H new ATOM 1328 N GLN A 89 8.649 -14.305 -2.626 1.00 0.00 N ATOM 1329 CA GLN A 89 7.213 -14.188 -2.831 1.00 0.00 C ATOM 1330 C GLN A 89 6.675 -12.972 -2.057 1.00 0.00 C ATOM 1331 O GLN A 89 6.813 -12.910 -0.834 1.00 0.00 O ATOM 1332 CB GLN A 89 6.472 -15.486 -2.417 1.00 0.00 C ATOM 1333 CG GLN A 89 6.494 -15.811 -0.923 1.00 0.00 C ATOM 1334 CD GLN A 89 7.827 -16.343 -0.428 1.00 0.00 C ATOM 1335 OE1 GLN A 89 8.202 -16.122 0.721 1.00 0.00 O ATOM 1336 NE2 GLN A 89 8.537 -17.066 -1.277 1.00 0.00 N ATOM 0 H GLN A 89 8.939 -14.285 -1.648 1.00 0.00 H new ATOM 0 HA GLN A 89 7.027 -14.040 -3.895 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.433 -15.408 -2.739 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.912 -16.323 -2.959 1.00 0.00 H new ATOM 0 HG2 GLN A 89 6.242 -14.911 -0.362 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.719 -16.547 -0.710 1.00 0.00 H new ATOM 0 HE21 GLN A 89 8.191 -17.227 -2.223 1.00 0.00 H new ATOM 0 HE22 GLN A 89 9.430 -17.463 -0.986 1.00 0.00 H new ATOM 1345 N PRO A 90 6.099 -11.960 -2.744 1.00 0.00 N ATOM 1346 CA PRO A 90 5.530 -10.791 -2.058 1.00 0.00 C ATOM 1347 C PRO A 90 4.306 -11.129 -1.230 1.00 0.00 C ATOM 1348 O PRO A 90 3.613 -12.115 -1.486 1.00 0.00 O ATOM 1349 CB PRO A 90 5.135 -9.831 -3.170 1.00 0.00 C ATOM 1350 CG PRO A 90 5.049 -10.662 -4.412 1.00 0.00 C ATOM 1351 CD PRO A 90 5.983 -11.853 -4.216 1.00 0.00 C ATOM 0 HA PRO A 90 6.258 -10.377 -1.361 1.00 0.00 H new ATOM 0 HB2 PRO A 90 4.180 -9.352 -2.953 1.00 0.00 H new ATOM 0 HB3 PRO A 90 5.872 -9.036 -3.281 1.00 0.00 H new ATOM 0 HG2 PRO A 90 4.026 -10.998 -4.582 1.00 0.00 H new ATOM 0 HG3 PRO A 90 5.343 -10.081 -5.286 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.572 -12.763 -4.654 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.953 -11.684 -4.684 1.00 0.00 H new ATOM 1359 N LYS A 91 4.035 -10.289 -0.244 1.00 0.00 N ATOM 1360 CA LYS A 91 2.915 -10.516 0.654 1.00 0.00 C ATOM 1361 C LYS A 91 1.810 -9.493 0.421 1.00 0.00 C ATOM 1362 O LYS A 91 2.068 -8.356 0.024 1.00 0.00 O ATOM 1363 CB LYS A 91 3.351 -10.450 2.124 1.00 0.00 C ATOM 1364 CG LYS A 91 4.555 -11.319 2.489 1.00 0.00 C ATOM 1365 CD LYS A 91 4.461 -12.724 1.904 1.00 0.00 C ATOM 1366 CE LYS A 91 4.932 -13.790 2.892 1.00 0.00 C ATOM 1367 NZ LYS A 91 4.063 -13.844 4.099 1.00 0.00 N ATOM 0 H LYS A 91 4.574 -9.446 -0.046 1.00 0.00 H new ATOM 0 HA LYS A 91 2.537 -11.515 0.439 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.584 -9.414 2.370 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.508 -10.745 2.749 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.466 -10.840 2.131 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.635 -11.385 3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.430 -12.928 1.615 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.063 -12.780 0.997 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.936 -14.764 2.402 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.959 -13.580 3.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.107 -14.796 4.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.393 -13.146 4.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.082 -13.628 3.830 1.00 0.00 H new ATOM 1381 N ILE A 92 0.584 -9.922 0.668 1.00 0.00 N ATOM 1382 CA ILE A 92 -0.563 -9.025 0.632 1.00 0.00 C ATOM 1383 C ILE A 92 -1.052 -8.728 2.044 1.00 0.00 C ATOM 1384 O ILE A 92 -1.192 -9.633 2.872 1.00 0.00 O ATOM 1385 CB ILE A 92 -1.738 -9.560 -0.254 1.00 0.00 C ATOM 1386 CG1 ILE A 92 -1.739 -8.878 -1.625 1.00 0.00 C ATOM 1387 CG2 ILE A 92 -3.094 -9.359 0.407 1.00 0.00 C ATOM 1388 CD1 ILE A 92 -1.406 -7.413 -1.560 1.00 0.00 C ATOM 0 H ILE A 92 0.355 -10.889 0.897 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.219 -8.102 0.165 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.573 -10.631 -0.376 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.020 -9.379 -2.273 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.720 -9.001 -2.084 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.877 -9.745 -0.245 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.118 -9.891 1.358 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.259 -8.296 0.582 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.424 -6.991 -2.565 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.140 -6.900 -0.938 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.413 -7.284 -1.130 1.00 0.00 H new ATOM 1400 N VAL A 93 -1.293 -7.456 2.315 1.00 0.00 N ATOM 1401 CA VAL A 93 -1.874 -7.034 3.575 1.00 0.00 C ATOM 1402 C VAL A 93 -3.201 -6.357 3.296 1.00 0.00 C ATOM 1403 O VAL A 93 -3.262 -5.390 2.546 1.00 0.00 O ATOM 1404 CB VAL A 93 -0.953 -6.063 4.341 1.00 0.00 C ATOM 1405 CG1 VAL A 93 -0.584 -4.857 3.497 1.00 0.00 C ATOM 1406 CG2 VAL A 93 -1.599 -5.618 5.643 1.00 0.00 C ATOM 0 H VAL A 93 -1.092 -6.692 1.670 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.011 -7.916 4.200 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.035 -6.603 4.572 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.066 -4.196 4.071 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.063 -5.187 2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.489 -4.320 3.214 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.931 -4.934 6.166 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.540 -5.112 5.428 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.790 -6.489 6.271 1.00 0.00 H new ATOM 1416 N LYS A 94 -4.263 -6.874 3.866 1.00 0.00 N ATOM 1417 CA LYS A 94 -5.574 -6.339 3.587 1.00 0.00 C ATOM 1418 C LYS A 94 -6.070 -5.521 4.766 1.00 0.00 C ATOM 1419 O LYS A 94 -5.746 -5.812 5.917 1.00 0.00 O ATOM 1420 CB LYS A 94 -6.540 -7.469 3.256 1.00 0.00 C ATOM 1421 CG LYS A 94 -6.019 -8.378 2.158 1.00 0.00 C ATOM 1422 CD LYS A 94 -6.647 -9.749 2.242 1.00 0.00 C ATOM 1423 CE LYS A 94 -6.056 -10.526 3.404 1.00 0.00 C ATOM 1424 NZ LYS A 94 -4.668 -10.982 3.126 1.00 0.00 N ATOM 0 H LYS A 94 -4.247 -7.657 4.520 1.00 0.00 H new ATOM 0 HA LYS A 94 -5.514 -5.679 2.722 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.725 -8.059 4.154 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.497 -7.046 2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.232 -7.936 1.185 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.935 -8.466 2.238 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.726 -9.656 2.369 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.481 -10.291 1.311 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.059 -9.900 4.297 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.685 -11.390 3.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.433 -11.779 3.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.595 -11.287 2.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.005 -10.200 3.298 1.00 0.00 H new ATOM 1438 N TRP A 95 -6.828 -4.487 4.466 1.00 0.00 N ATOM 1439 CA TRP A 95 -7.344 -3.588 5.490 1.00 0.00 C ATOM 1440 C TRP A 95 -8.602 -4.185 6.121 1.00 0.00 C ATOM 1441 O TRP A 95 -9.584 -4.470 5.427 1.00 0.00 O ATOM 1442 CB TRP A 95 -7.619 -2.202 4.875 1.00 0.00 C ATOM 1443 CG TRP A 95 -8.226 -1.185 5.807 1.00 0.00 C ATOM 1444 CD1 TRP A 95 -7.797 -0.831 7.062 1.00 0.00 C ATOM 1445 CD2 TRP A 95 -9.370 -0.358 5.531 1.00 0.00 C ATOM 1446 NE1 TRP A 95 -8.613 0.140 7.583 1.00 0.00 N ATOM 1447 CE2 TRP A 95 -9.588 0.445 6.670 1.00 0.00 C ATOM 1448 CE3 TRP A 95 -10.240 -0.221 4.432 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 -10.635 1.361 6.746 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 -11.272 0.690 4.507 1.00 0.00 C ATOM 1451 CH2 TRP A 95 -11.470 1.467 5.654 1.00 0.00 C ATOM 0 H TRP A 95 -7.105 -4.243 3.515 1.00 0.00 H new ATOM 0 HA TRP A 95 -6.603 -3.464 6.279 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.681 -1.802 4.491 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.285 -2.329 4.021 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.941 -1.256 7.566 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -8.510 0.567 8.504 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -10.101 -0.820 3.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.787 1.966 7.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -11.939 0.806 3.666 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -12.294 2.164 5.684 1.00 0.00 H new ATOM 1462 N ASP A 96 -8.553 -4.387 7.436 1.00 0.00 N ATOM 1463 CA ASP A 96 -9.649 -5.015 8.181 1.00 0.00 C ATOM 1464 C ASP A 96 -10.921 -4.188 8.092 1.00 0.00 C ATOM 1465 O ASP A 96 -11.076 -3.207 8.819 1.00 0.00 O ATOM 1466 CB ASP A 96 -9.280 -5.192 9.658 1.00 0.00 C ATOM 1467 CG ASP A 96 -8.267 -6.291 9.888 1.00 0.00 C ATOM 1468 OD1 ASP A 96 -8.684 -7.449 10.107 1.00 0.00 O ATOM 1469 OD2 ASP A 96 -7.052 -6.001 9.872 1.00 0.00 O ATOM 0 H ASP A 96 -7.757 -4.122 8.016 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.821 -5.992 7.728 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.882 -4.253 10.042 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -10.182 -5.413 10.228 1.00 0.00 H new ATOM 1474 N ARG A 97 -11.830 -4.588 7.206 1.00 0.00 N ATOM 1475 CA ARG A 97 -13.120 -3.917 7.088 1.00 0.00 C ATOM 1476 C ARG A 97 -14.020 -4.679 6.110 1.00 0.00 C ATOM 1477 O ARG A 97 -15.224 -4.438 6.032 1.00 0.00 O ATOM 1478 CB ARG A 97 -12.903 -2.453 6.637 1.00 0.00 C ATOM 1479 CG ARG A 97 -12.852 -2.261 5.115 1.00 0.00 C ATOM 1480 CD ARG A 97 -14.239 -2.113 4.501 1.00 0.00 C ATOM 1481 NE ARG A 97 -14.207 -2.172 3.052 1.00 0.00 N ATOM 1482 CZ ARG A 97 -15.296 -2.321 2.315 1.00 0.00 C ATOM 1483 NH1 ARG A 97 -16.491 -2.316 2.891 1.00 0.00 N ATOM 1484 NH2 ARG A 97 -15.200 -2.475 1.011 1.00 0.00 N ATOM 0 H ARG A 97 -11.698 -5.369 6.563 1.00 0.00 H new ATOM 0 HA ARG A 97 -13.619 -3.904 8.057 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -13.706 -1.838 7.042 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -11.972 -2.086 7.069 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.259 -1.377 4.883 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -12.346 -3.113 4.661 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -14.888 -2.902 4.881 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -14.674 -1.164 4.815 1.00 0.00 H new ATOM 0 HE ARG A 97 -13.306 -2.095 2.581 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -16.570 -2.197 3.901 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -17.331 -2.431 2.324 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -14.283 -2.480 0.564 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -16.043 -2.589 0.448 1.00 0.00 H new ATOM 1498 N ASP A 98 -13.427 -5.637 5.414 1.00 0.00 N ATOM 1499 CA ASP A 98 -14.100 -6.350 4.325 1.00 0.00 C ATOM 1500 C ASP A 98 -13.446 -7.718 4.102 1.00 0.00 C ATOM 1501 O ASP A 98 -13.946 -8.540 3.342 1.00 0.00 O ATOM 1502 CB ASP A 98 -14.028 -5.530 3.036 1.00 0.00 C ATOM 1503 CG ASP A 98 -14.849 -6.129 1.903 1.00 0.00 C ATOM 1504 OD1 ASP A 98 -16.080 -5.892 1.870 1.00 0.00 O ATOM 1505 OD2 ASP A 98 -14.270 -6.824 1.043 1.00 0.00 O ATOM 0 H ASP A 98 -12.470 -5.945 5.583 1.00 0.00 H new ATOM 0 HA ASP A 98 -15.145 -6.496 4.599 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.379 -4.518 3.236 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -12.988 -5.450 2.721 1.00 0.00 H new ATOM 1510 N MET A 99 -12.348 -7.975 4.812 1.00 0.00 N ATOM 1511 CA MET A 99 -11.588 -9.210 4.619 1.00 0.00 C ATOM 1512 C MET A 99 -12.067 -10.274 5.602 1.00 0.00 C ATOM 1513 CB MET A 99 -10.077 -8.980 4.789 1.00 0.00 C ATOM 1514 CG MET A 99 -9.694 -8.301 6.105 1.00 0.00 C ATOM 1515 SD MET A 99 -7.916 -8.302 6.402 1.00 0.00 S ATOM 1516 CE MET A 99 -7.606 -10.054 6.611 1.00 0.00 C ATOM 0 H MET A 99 -11.967 -7.349 5.522 1.00 0.00 H new ATOM 0 HA MET A 99 -11.760 -9.551 3.598 1.00 0.00 H new ATOM 0 HB2 MET A 99 -9.565 -9.940 4.725 1.00 0.00 H new ATOM 0 HB3 MET A 99 -9.717 -8.371 3.960 1.00 0.00 H new ATOM 0 HG2 MET A 99 -10.055 -7.273 6.096 1.00 0.00 H new ATOM 0 HG3 MET A 99 -10.195 -8.808 6.929 1.00 0.00 H new ATOM 0 HE1 MET A 99 -6.568 -10.207 6.907 1.00 0.00 H new ATOM 0 HE2 MET A 99 -8.266 -10.451 7.382 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.795 -10.572 5.671 1.00 0.00 H new TER 1525 MET A 99