USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 620 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 50 HIS :FLIP no HE2:sc= -4.64! C(o=-7.2!,f=-4.8!) USER MOD Set 1.2: A 60 SER OG : rot -155:sc= -0.184 USER MOD Set 1.3: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 53 SER OG : rot -121:sc= -1.01 USER MOD Set 2.2: A 54 MET CE :methyl -158:sc= -1.32 (180deg=-1.83) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0984 (180deg=0) USER MOD Single : A 2 SER OG : rot 16:sc= 0.725 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.143 X(o=0.14,f=-0.1) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.0601 X(o=-0.06,f=-0.06) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -1.28 X(o=-1.3,f=-1.1) USER MOD Single : A 47 THR OG1 : rot 93:sc= 0.0512 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -140:sc=-0.000787 (180deg=-0.189) USER MOD Single : A 61 SER OG : rot 23:sc= 0.677 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.437 K(o=-0.44,f=-3.8!) USER MOD Single : A 73 ASN : amide:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 ASN : amide:sc= -0.142 K(o=-0.14,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.137 0.261 3.793 1.00 0.00 N ATOM 2 CA GLY A 1 16.702 -1.001 3.351 1.00 0.00 C ATOM 3 C GLY A 1 16.248 -1.382 1.956 1.00 0.00 C ATOM 4 O GLY A 1 15.616 -0.586 1.262 1.00 0.00 O ATOM 0 H1 GLY A 1 16.902 0.949 3.947 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.487 0.623 3.067 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.617 0.116 4.682 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.790 -0.935 3.371 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.418 -1.788 4.050 1.00 0.00 H new ATOM 8 N SER A 2 16.573 -2.603 1.543 1.00 0.00 N ATOM 9 CA SER A 2 16.199 -3.087 0.219 1.00 0.00 C ATOM 10 C SER A 2 16.164 -4.612 0.188 1.00 0.00 C ATOM 11 O SER A 2 16.534 -5.272 1.159 1.00 0.00 O ATOM 12 CB SER A 2 17.180 -2.566 -0.833 1.00 0.00 C ATOM 13 OG SER A 2 16.920 -1.208 -1.144 1.00 0.00 O ATOM 0 H SER A 2 17.094 -3.275 2.106 1.00 0.00 H new ATOM 0 HA SER A 2 15.201 -2.714 -0.009 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.201 -2.669 -0.466 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.104 -3.170 -1.737 1.00 0.00 H new ATOM 0 HG SER A 2 16.350 -0.817 -0.449 1.00 0.00 H new ATOM 19 N SER A 3 15.718 -5.164 -0.935 1.00 0.00 N ATOM 20 CA SER A 3 15.630 -6.611 -1.093 1.00 0.00 C ATOM 21 C SER A 3 15.982 -7.024 -2.519 1.00 0.00 C ATOM 22 O SER A 3 15.963 -6.206 -3.438 1.00 0.00 O ATOM 23 CB SER A 3 14.224 -7.100 -0.741 1.00 0.00 C ATOM 24 OG SER A 3 14.222 -8.490 -0.462 1.00 0.00 O ATOM 0 H SER A 3 15.412 -4.631 -1.749 1.00 0.00 H new ATOM 0 HA SER A 3 16.347 -7.070 -0.412 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.851 -6.552 0.124 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.545 -6.891 -1.568 1.00 0.00 H new ATOM 0 HG SER A 3 13.312 -8.777 -0.238 1.00 0.00 H new ATOM 30 N GLY A 4 16.305 -8.302 -2.696 1.00 0.00 N ATOM 31 CA GLY A 4 16.657 -8.803 -4.012 1.00 0.00 C ATOM 32 C GLY A 4 15.861 -10.034 -4.396 1.00 0.00 C ATOM 33 O GLY A 4 14.749 -10.239 -3.910 1.00 0.00 O ATOM 0 H GLY A 4 16.329 -8.999 -1.952 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.489 -8.020 -4.752 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.721 -9.040 -4.034 1.00 0.00 H new ATOM 37 N SER A 5 16.430 -10.855 -5.273 1.00 0.00 N ATOM 38 CA SER A 5 15.763 -12.070 -5.727 1.00 0.00 C ATOM 39 C SER A 5 16.698 -13.272 -5.628 1.00 0.00 C ATOM 40 O SER A 5 17.912 -13.119 -5.490 1.00 0.00 O ATOM 41 CB SER A 5 15.280 -11.903 -7.169 1.00 0.00 C ATOM 42 OG SER A 5 14.163 -11.034 -7.235 1.00 0.00 O ATOM 0 H SER A 5 17.351 -10.701 -5.683 1.00 0.00 H new ATOM 0 HA SER A 5 14.903 -12.246 -5.081 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.089 -11.508 -7.783 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.013 -12.876 -7.581 1.00 0.00 H new ATOM 0 HG SER A 5 13.874 -10.942 -8.167 1.00 0.00 H new ATOM 48 N SER A 6 16.123 -14.468 -5.698 1.00 0.00 N ATOM 49 CA SER A 6 16.903 -15.697 -5.613 1.00 0.00 C ATOM 50 C SER A 6 16.755 -16.524 -6.887 1.00 0.00 C ATOM 51 O SER A 6 15.719 -16.485 -7.549 1.00 0.00 O ATOM 52 CB SER A 6 16.462 -16.522 -4.402 1.00 0.00 C ATOM 53 OG SER A 6 15.084 -16.844 -4.478 1.00 0.00 O ATOM 0 H SER A 6 15.120 -14.612 -5.813 1.00 0.00 H new ATOM 0 HA SER A 6 17.952 -15.425 -5.497 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.050 -17.438 -4.349 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.658 -15.963 -3.487 1.00 0.00 H new ATOM 0 HG SER A 6 14.828 -17.373 -3.694 1.00 0.00 H new ATOM 59 N GLY A 7 17.801 -17.273 -7.223 1.00 0.00 N ATOM 60 CA GLY A 7 17.769 -18.098 -8.416 1.00 0.00 C ATOM 61 C GLY A 7 18.432 -17.428 -9.603 1.00 0.00 C ATOM 62 O GLY A 7 19.089 -16.398 -9.456 1.00 0.00 O ATOM 0 H GLY A 7 18.669 -17.323 -6.690 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.268 -19.045 -8.212 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.734 -18.330 -8.666 1.00 0.00 H new ATOM 66 N MET A 8 18.262 -18.015 -10.784 1.00 0.00 N ATOM 67 CA MET A 8 18.850 -17.468 -12.001 1.00 0.00 C ATOM 68 C MET A 8 18.020 -16.303 -12.530 1.00 0.00 C ATOM 69 O MET A 8 16.864 -16.478 -12.914 1.00 0.00 O ATOM 70 CB MET A 8 18.965 -18.555 -13.071 1.00 0.00 C ATOM 71 CG MET A 8 19.894 -19.694 -12.682 1.00 0.00 C ATOM 72 SD MET A 8 21.633 -19.288 -12.931 1.00 0.00 S ATOM 73 CE MET A 8 22.067 -20.439 -14.232 1.00 0.00 C ATOM 0 H MET A 8 17.722 -18.869 -10.923 1.00 0.00 H new ATOM 0 HA MET A 8 19.847 -17.100 -11.759 1.00 0.00 H new ATOM 0 HB2 MET A 8 17.973 -18.959 -13.275 1.00 0.00 H new ATOM 0 HB3 MET A 8 19.323 -18.105 -13.997 1.00 0.00 H new ATOM 0 HG2 MET A 8 19.731 -19.949 -11.635 1.00 0.00 H new ATOM 0 HG3 MET A 8 19.644 -20.578 -13.268 1.00 0.00 H new ATOM 0 HE1 MET A 8 23.116 -20.310 -14.497 1.00 0.00 H new ATOM 0 HE2 MET A 8 21.903 -21.459 -13.885 1.00 0.00 H new ATOM 0 HE3 MET A 8 21.446 -20.250 -15.107 1.00 0.00 H new ATOM 83 N ALA A 9 18.616 -15.116 -12.546 1.00 0.00 N ATOM 84 CA ALA A 9 17.932 -13.923 -13.030 1.00 0.00 C ATOM 85 C ALA A 9 17.862 -13.910 -14.553 1.00 0.00 C ATOM 86 O ALA A 9 18.707 -13.311 -15.218 1.00 0.00 O ATOM 87 CB ALA A 9 18.629 -12.671 -12.521 1.00 0.00 C ATOM 0 H ALA A 9 19.572 -14.954 -12.229 1.00 0.00 H new ATOM 0 HA ALA A 9 16.912 -13.939 -12.646 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.107 -11.788 -12.891 1.00 0.00 H new ATOM 0 HB2 ALA A 9 18.621 -12.668 -11.431 1.00 0.00 H new ATOM 0 HB3 ALA A 9 19.659 -12.658 -12.876 1.00 0.00 H new ATOM 93 N SER A 10 16.849 -14.575 -15.100 1.00 0.00 N ATOM 94 CA SER A 10 16.672 -14.644 -16.546 1.00 0.00 C ATOM 95 C SER A 10 15.650 -13.613 -17.017 1.00 0.00 C ATOM 96 O SER A 10 14.505 -13.606 -16.566 1.00 0.00 O ATOM 97 CB SER A 10 16.226 -16.047 -16.961 1.00 0.00 C ATOM 98 OG SER A 10 16.600 -16.327 -18.299 1.00 0.00 O ATOM 0 H SER A 10 16.139 -15.073 -14.564 1.00 0.00 H new ATOM 0 HA SER A 10 17.630 -14.422 -17.016 1.00 0.00 H new ATOM 0 HB2 SER A 10 16.671 -16.785 -16.294 1.00 0.00 H new ATOM 0 HB3 SER A 10 15.144 -16.134 -16.857 1.00 0.00 H new ATOM 0 HG SER A 10 16.305 -17.230 -18.539 1.00 0.00 H new ATOM 104 N GLY A 11 16.073 -12.744 -17.930 1.00 0.00 N ATOM 105 CA GLY A 11 15.183 -11.721 -18.448 1.00 0.00 C ATOM 106 C GLY A 11 14.238 -12.256 -19.506 1.00 0.00 C ATOM 107 O GLY A 11 14.184 -11.734 -20.620 1.00 0.00 O ATOM 0 H GLY A 11 17.015 -12.730 -18.320 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.603 -11.299 -17.627 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.775 -10.909 -18.871 1.00 0.00 H new ATOM 111 N ILE A 12 13.493 -13.300 -19.158 1.00 0.00 N ATOM 112 CA ILE A 12 12.547 -13.905 -20.086 1.00 0.00 C ATOM 113 C ILE A 12 11.128 -13.865 -19.529 1.00 0.00 C ATOM 114 O ILE A 12 10.881 -14.287 -18.398 1.00 0.00 O ATOM 115 CB ILE A 12 12.922 -15.366 -20.400 1.00 0.00 C ATOM 116 CG1 ILE A 12 13.000 -16.183 -19.109 1.00 0.00 C ATOM 117 CG2 ILE A 12 14.243 -15.424 -21.151 1.00 0.00 C ATOM 118 CD1 ILE A 12 11.696 -16.854 -18.738 1.00 0.00 C ATOM 0 H ILE A 12 13.527 -13.744 -18.240 1.00 0.00 H new ATOM 0 HA ILE A 12 12.590 -13.321 -21.006 1.00 0.00 H new ATOM 0 HB ILE A 12 12.147 -15.797 -21.034 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.773 -16.944 -19.216 1.00 0.00 H new ATOM 0 HG13 ILE A 12 13.308 -15.529 -18.293 1.00 0.00 H new ATOM 0 HG21 ILE A 12 14.494 -16.463 -21.366 1.00 0.00 H new ATOM 0 HG22 ILE A 12 14.154 -14.871 -22.086 1.00 0.00 H new ATOM 0 HG23 ILE A 12 15.029 -14.979 -20.540 1.00 0.00 H new ATOM 0 HD11 ILE A 12 11.826 -17.415 -17.813 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.924 -16.097 -18.598 1.00 0.00 H new ATOM 0 HD13 ILE A 12 11.397 -17.534 -19.536 1.00 0.00 H new ATOM 130 N LEU A 13 10.198 -13.357 -20.330 1.00 0.00 N ATOM 131 CA LEU A 13 8.802 -13.263 -19.917 1.00 0.00 C ATOM 132 C LEU A 13 7.919 -14.162 -20.777 1.00 0.00 C ATOM 133 O LEU A 13 7.948 -14.087 -22.005 1.00 0.00 O ATOM 134 CB LEU A 13 8.318 -11.814 -20.010 1.00 0.00 C ATOM 135 CG LEU A 13 8.497 -10.965 -18.752 1.00 0.00 C ATOM 136 CD1 LEU A 13 7.675 -11.532 -17.604 1.00 0.00 C ATOM 137 CD2 LEU A 13 9.967 -10.883 -18.368 1.00 0.00 C ATOM 0 H LEU A 13 10.385 -13.004 -21.269 1.00 0.00 H new ATOM 0 HA LEU A 13 8.731 -13.597 -18.882 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.846 -11.328 -20.830 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.260 -11.821 -20.272 1.00 0.00 H new ATOM 0 HG LEU A 13 8.141 -9.957 -18.964 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.815 -10.915 -16.717 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.620 -11.538 -17.880 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.000 -12.551 -17.392 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.075 -10.275 -17.470 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.349 -11.885 -18.175 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.531 -10.430 -19.183 1.00 0.00 H new ATOM 149 N VAL A 14 7.132 -15.010 -20.123 1.00 0.00 N ATOM 150 CA VAL A 14 6.237 -15.922 -20.826 1.00 0.00 C ATOM 151 C VAL A 14 4.838 -15.330 -20.951 1.00 0.00 C ATOM 152 O VAL A 14 4.036 -15.405 -20.021 1.00 0.00 O ATOM 153 CB VAL A 14 6.146 -17.282 -20.111 1.00 0.00 C ATOM 154 CG1 VAL A 14 5.168 -18.199 -20.830 1.00 0.00 C ATOM 155 CG2 VAL A 14 7.521 -17.926 -20.014 1.00 0.00 C ATOM 0 H VAL A 14 7.096 -15.085 -19.106 1.00 0.00 H new ATOM 0 HA VAL A 14 6.655 -16.072 -21.821 1.00 0.00 H new ATOM 0 HB VAL A 14 5.775 -17.117 -19.099 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.117 -19.156 -20.310 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.180 -17.739 -20.842 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.506 -18.360 -21.854 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.438 -18.887 -19.506 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.923 -18.079 -21.016 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.189 -17.274 -19.451 1.00 0.00 H new ATOM 165 N ASN A 15 4.551 -14.743 -22.109 1.00 0.00 N ATOM 166 CA ASN A 15 3.247 -14.138 -22.356 1.00 0.00 C ATOM 167 C ASN A 15 3.112 -13.714 -23.815 1.00 0.00 C ATOM 168 O ASN A 15 4.107 -13.577 -24.528 1.00 0.00 O ATOM 169 CB ASN A 15 3.040 -12.930 -21.440 1.00 0.00 C ATOM 170 CG ASN A 15 3.709 -11.679 -21.975 1.00 0.00 C ATOM 171 OD1 ASN A 15 4.897 -11.450 -21.744 1.00 0.00 O ATOM 172 ND2 ASN A 15 2.948 -10.861 -22.693 1.00 0.00 N ATOM 0 H ASN A 15 5.203 -14.674 -22.890 1.00 0.00 H new ATOM 0 HA ASN A 15 2.481 -14.883 -22.141 1.00 0.00 H new ATOM 0 HB2 ASN A 15 1.972 -12.746 -21.322 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.436 -13.156 -20.450 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.343 -10.003 -23.078 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.968 -11.091 -22.859 1.00 0.00 H new ATOM 179 N VAL A 16 1.875 -13.506 -24.254 1.00 0.00 N ATOM 180 CA VAL A 16 1.609 -13.095 -25.627 1.00 0.00 C ATOM 181 C VAL A 16 0.970 -11.712 -25.673 1.00 0.00 C ATOM 182 O VAL A 16 0.815 -11.053 -24.645 1.00 0.00 O ATOM 183 CB VAL A 16 0.687 -14.099 -26.345 1.00 0.00 C ATOM 184 CG1 VAL A 16 1.195 -15.520 -26.155 1.00 0.00 C ATOM 185 CG2 VAL A 16 -0.742 -13.963 -25.843 1.00 0.00 C ATOM 0 H VAL A 16 1.040 -13.616 -23.678 1.00 0.00 H new ATOM 0 HA VAL A 16 2.570 -13.065 -26.140 1.00 0.00 H new ATOM 0 HB VAL A 16 0.695 -13.875 -27.412 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.531 -16.215 -26.669 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.200 -15.605 -26.568 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.218 -15.759 -25.092 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.379 -14.680 -26.361 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.771 -14.160 -24.771 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.101 -12.952 -26.036 1.00 0.00 H new ATOM 195 N LYS A 17 0.599 -11.277 -26.873 1.00 0.00 N ATOM 196 CA LYS A 17 -0.026 -9.973 -27.055 1.00 0.00 C ATOM 197 C LYS A 17 -1.503 -10.020 -26.680 1.00 0.00 C ATOM 198 O LYS A 17 -2.369 -10.136 -27.547 1.00 0.00 O ATOM 199 CB LYS A 17 0.129 -9.508 -28.505 1.00 0.00 C ATOM 200 CG LYS A 17 -0.348 -10.528 -29.524 1.00 0.00 C ATOM 201 CD LYS A 17 0.811 -11.322 -30.103 1.00 0.00 C ATOM 202 CE LYS A 17 0.340 -12.636 -30.708 1.00 0.00 C ATOM 203 NZ LYS A 17 1.480 -13.472 -31.175 1.00 0.00 N ATOM 0 H LYS A 17 0.721 -11.810 -27.734 1.00 0.00 H new ATOM 0 HA LYS A 17 0.475 -9.263 -26.397 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.428 -8.581 -28.642 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.178 -9.280 -28.695 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.058 -11.209 -29.054 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.879 -10.019 -30.328 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.314 -10.729 -30.866 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.543 -11.522 -29.321 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.237 -13.190 -29.968 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.327 -12.432 -31.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.117 -14.358 -31.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.017 -12.954 -31.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.104 -13.689 -30.371 1.00 0.00 H new ATOM 217 N GLU A 18 -1.784 -9.928 -25.384 1.00 0.00 N ATOM 218 CA GLU A 18 -3.157 -9.960 -24.896 1.00 0.00 C ATOM 219 C GLU A 18 -4.097 -9.254 -25.869 1.00 0.00 C ATOM 220 O GLU A 18 -3.684 -8.359 -26.606 1.00 0.00 O ATOM 221 CB GLU A 18 -3.247 -9.305 -23.516 1.00 0.00 C ATOM 222 CG GLU A 18 -2.259 -9.869 -22.509 1.00 0.00 C ATOM 223 CD GLU A 18 -2.401 -11.368 -22.328 1.00 0.00 C ATOM 224 OE1 GLU A 18 -3.360 -11.796 -21.653 1.00 0.00 O ATOM 225 OE2 GLU A 18 -1.552 -12.112 -22.862 1.00 0.00 O ATOM 0 H GLU A 18 -1.079 -9.831 -24.653 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.462 -11.003 -24.815 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.075 -8.234 -23.620 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.258 -9.430 -23.129 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.244 -9.641 -22.835 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.404 -9.376 -21.548 1.00 0.00 H new ATOM 232 N GLU A 19 -5.362 -9.663 -25.863 1.00 0.00 N ATOM 233 CA GLU A 19 -6.359 -9.070 -26.747 1.00 0.00 C ATOM 234 C GLU A 19 -6.666 -7.633 -26.334 1.00 0.00 C ATOM 235 O GLU A 19 -6.772 -6.742 -27.177 1.00 0.00 O ATOM 236 CB GLU A 19 -7.644 -9.902 -26.732 1.00 0.00 C ATOM 237 CG GLU A 19 -8.191 -10.153 -25.337 1.00 0.00 C ATOM 238 CD GLU A 19 -9.469 -10.969 -25.350 1.00 0.00 C ATOM 239 OE1 GLU A 19 -9.382 -12.207 -25.483 1.00 0.00 O ATOM 240 OE2 GLU A 19 -10.557 -10.367 -25.228 1.00 0.00 O ATOM 0 H GLU A 19 -5.720 -10.401 -25.257 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.952 -9.060 -27.758 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.404 -9.392 -27.325 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.452 -10.860 -27.216 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.439 -10.673 -24.744 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.379 -9.198 -24.847 1.00 0.00 H new ATOM 247 N VAL A 20 -6.808 -7.416 -25.030 1.00 0.00 N ATOM 248 CA VAL A 20 -7.102 -6.088 -24.504 1.00 0.00 C ATOM 249 C VAL A 20 -6.002 -5.615 -23.561 1.00 0.00 C ATOM 250 O VAL A 20 -5.700 -6.269 -22.562 1.00 0.00 O ATOM 251 CB VAL A 20 -8.449 -6.066 -23.757 1.00 0.00 C ATOM 252 CG1 VAL A 20 -8.895 -4.634 -23.502 1.00 0.00 C ATOM 253 CG2 VAL A 20 -9.505 -6.831 -24.540 1.00 0.00 C ATOM 0 H VAL A 20 -6.724 -8.142 -24.319 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.158 -5.414 -25.359 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.318 -6.557 -22.793 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.848 -4.638 -22.973 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.147 -4.122 -22.897 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.010 -4.114 -24.453 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.450 -6.805 -23.998 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.636 -6.371 -25.519 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.187 -7.866 -24.665 1.00 0.00 H new ATOM 263 N THR A 21 -5.405 -4.471 -23.884 1.00 0.00 N ATOM 264 CA THR A 21 -4.337 -3.910 -23.066 1.00 0.00 C ATOM 265 C THR A 21 -4.741 -2.558 -22.487 1.00 0.00 C ATOM 266 O THR A 21 -5.446 -1.781 -23.132 1.00 0.00 O ATOM 267 CB THR A 21 -3.039 -3.740 -23.877 1.00 0.00 C ATOM 268 OG1 THR A 21 -2.755 -4.941 -24.603 1.00 0.00 O ATOM 269 CG2 THR A 21 -1.869 -3.407 -22.962 1.00 0.00 C ATOM 0 H THR A 21 -5.643 -3.916 -24.706 1.00 0.00 H new ATOM 0 HA THR A 21 -4.159 -4.613 -22.252 1.00 0.00 H new ATOM 0 HB THR A 21 -3.179 -2.916 -24.577 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.929 -4.825 -25.118 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.963 -3.292 -23.557 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.075 -2.478 -22.431 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.730 -4.213 -22.242 1.00 0.00 H new ATOM 277 N CYS A 22 -4.290 -2.284 -21.268 1.00 0.00 N ATOM 278 CA CYS A 22 -4.604 -1.026 -20.601 1.00 0.00 C ATOM 279 C CYS A 22 -3.735 0.107 -21.140 1.00 0.00 C ATOM 280 O CYS A 22 -2.507 0.025 -21.161 1.00 0.00 O ATOM 281 CB CYS A 22 -4.405 -1.161 -19.090 1.00 0.00 C ATOM 282 SG CYS A 22 -4.787 0.352 -18.151 1.00 0.00 S ATOM 0 H CYS A 22 -3.706 -2.916 -20.721 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.648 -0.788 -20.803 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.034 -1.972 -18.723 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.371 -1.446 -18.895 1.00 0.00 H new ATOM 287 N PRO A 23 -4.387 1.191 -21.587 1.00 0.00 N ATOM 288 CA PRO A 23 -3.694 2.362 -22.133 1.00 0.00 C ATOM 289 C PRO A 23 -2.934 3.138 -21.062 1.00 0.00 C ATOM 290 O PRO A 23 -2.299 4.152 -21.351 1.00 0.00 O ATOM 291 CB PRO A 23 -4.831 3.212 -22.705 1.00 0.00 C ATOM 292 CG PRO A 23 -6.033 2.814 -21.920 1.00 0.00 C ATOM 293 CD PRO A 23 -5.850 1.358 -21.592 1.00 0.00 C ATOM 0 HA PRO A 23 -2.940 2.083 -22.869 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.622 4.276 -22.597 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.972 3.021 -23.769 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.121 3.410 -21.012 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.945 2.973 -22.495 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.287 1.106 -20.626 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.325 0.716 -22.334 1.00 0.00 H new ATOM 301 N ILE A 24 -3.004 2.655 -19.827 1.00 0.00 N ATOM 302 CA ILE A 24 -2.322 3.303 -18.714 1.00 0.00 C ATOM 303 C ILE A 24 -1.098 2.505 -18.279 1.00 0.00 C ATOM 304 O ILE A 24 0.040 2.924 -18.493 1.00 0.00 O ATOM 305 CB ILE A 24 -3.260 3.483 -17.505 1.00 0.00 C ATOM 306 CG1 ILE A 24 -4.267 4.603 -17.776 1.00 0.00 C ATOM 307 CG2 ILE A 24 -2.454 3.779 -16.249 1.00 0.00 C ATOM 308 CD1 ILE A 24 -5.591 4.407 -17.072 1.00 0.00 C ATOM 0 H ILE A 24 -3.526 1.817 -19.571 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.006 4.285 -19.067 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.811 2.555 -17.349 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.835 5.553 -17.462 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.442 4.672 -18.850 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.131 3.904 -15.403 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.773 2.951 -16.050 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.880 4.694 -16.392 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.256 5.238 -17.309 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.045 3.473 -17.404 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.428 4.369 -15.995 1.00 0.00 H new ATOM 320 N CYS A 25 -1.339 1.349 -17.668 1.00 0.00 N ATOM 321 CA CYS A 25 -0.257 0.489 -17.204 1.00 0.00 C ATOM 322 C CYS A 25 0.329 -0.319 -18.358 1.00 0.00 C ATOM 323 O CYS A 25 1.340 -1.005 -18.200 1.00 0.00 O ATOM 324 CB CYS A 25 -0.761 -0.454 -16.110 1.00 0.00 C ATOM 325 SG CYS A 25 -2.164 -1.499 -16.618 1.00 0.00 S ATOM 0 H CYS A 25 -2.274 0.987 -17.483 1.00 0.00 H new ATOM 0 HA CYS A 25 0.528 1.124 -16.794 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.060 -1.096 -15.792 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.057 0.137 -15.244 1.00 0.00 H new ATOM 330 N LEU A 26 -0.312 -0.234 -19.518 1.00 0.00 N ATOM 331 CA LEU A 26 0.145 -0.956 -20.700 1.00 0.00 C ATOM 332 C LEU A 26 0.635 -2.352 -20.328 1.00 0.00 C ATOM 333 O LEU A 26 1.711 -2.775 -20.752 1.00 0.00 O ATOM 334 CB LEU A 26 1.262 -0.179 -21.397 1.00 0.00 C ATOM 335 CG LEU A 26 1.048 1.329 -21.530 1.00 0.00 C ATOM 336 CD1 LEU A 26 2.309 2.003 -22.051 1.00 0.00 C ATOM 337 CD2 LEU A 26 -0.132 1.622 -22.445 1.00 0.00 C ATOM 0 H LEU A 26 -1.150 0.328 -19.666 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.698 -1.057 -21.383 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.190 -0.347 -20.851 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.399 -0.596 -22.395 1.00 0.00 H new ATOM 0 HG LEU A 26 0.825 1.733 -20.543 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.138 3.076 -22.139 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.131 1.822 -21.358 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.562 1.594 -23.029 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.269 2.700 -22.528 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.061 1.204 -23.433 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.034 1.172 -22.031 1.00 0.00 H new ATOM 349 N GLU A 27 -0.162 -3.063 -19.537 1.00 0.00 N ATOM 350 CA GLU A 27 0.192 -4.412 -19.110 1.00 0.00 C ATOM 351 C GLU A 27 -0.785 -5.436 -19.680 1.00 0.00 C ATOM 352 O GLU A 27 -0.449 -6.191 -20.593 1.00 0.00 O ATOM 353 CB GLU A 27 0.208 -4.500 -17.583 1.00 0.00 C ATOM 354 CG GLU A 27 1.270 -3.628 -16.934 1.00 0.00 C ATOM 355 CD GLU A 27 1.767 -4.195 -15.619 1.00 0.00 C ATOM 356 OE1 GLU A 27 2.222 -5.358 -15.607 1.00 0.00 O ATOM 357 OE2 GLU A 27 1.702 -3.475 -14.600 1.00 0.00 O ATOM 0 H GLU A 27 -1.056 -2.728 -19.179 1.00 0.00 H new ATOM 0 HA GLU A 27 1.189 -4.636 -19.489 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.771 -4.211 -17.201 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.372 -5.537 -17.289 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.111 -3.517 -17.618 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.863 -2.631 -16.765 1.00 0.00 H new ATOM 364 N LEU A 28 -1.996 -5.457 -19.133 1.00 0.00 N ATOM 365 CA LEU A 28 -3.023 -6.389 -19.585 1.00 0.00 C ATOM 366 C LEU A 28 -4.390 -6.006 -19.027 1.00 0.00 C ATOM 367 O LEU A 28 -4.497 -5.512 -17.903 1.00 0.00 O ATOM 368 CB LEU A 28 -2.668 -7.815 -19.161 1.00 0.00 C ATOM 369 CG LEU A 28 -3.831 -8.807 -19.101 1.00 0.00 C ATOM 370 CD1 LEU A 28 -4.503 -8.924 -20.461 1.00 0.00 C ATOM 371 CD2 LEU A 28 -3.346 -10.168 -18.625 1.00 0.00 C ATOM 0 H LEU A 28 -2.290 -4.840 -18.376 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.069 -6.341 -20.673 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.921 -8.203 -19.853 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.200 -7.774 -18.177 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.565 -8.435 -18.387 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.328 -9.634 -20.399 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.885 -7.949 -20.763 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.778 -9.273 -21.196 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.186 -10.861 -18.588 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.592 -10.547 -19.315 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.911 -10.072 -17.630 1.00 0.00 H new ATOM 383 N LEU A 29 -5.432 -6.238 -19.817 1.00 0.00 N ATOM 384 CA LEU A 29 -6.793 -5.919 -19.401 1.00 0.00 C ATOM 385 C LEU A 29 -7.702 -7.137 -19.530 1.00 0.00 C ATOM 386 O LEU A 29 -8.217 -7.430 -20.610 1.00 0.00 O ATOM 387 CB LEU A 29 -7.347 -4.765 -20.239 1.00 0.00 C ATOM 388 CG LEU A 29 -6.962 -3.358 -19.781 1.00 0.00 C ATOM 389 CD1 LEU A 29 -7.775 -2.312 -20.528 1.00 0.00 C ATOM 390 CD2 LEU A 29 -7.157 -3.214 -18.278 1.00 0.00 C ATOM 0 H LEU A 29 -5.361 -6.646 -20.749 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.765 -5.619 -18.354 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.011 -4.895 -21.268 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.435 -4.838 -20.247 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.908 -3.199 -20.008 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.487 -1.317 -20.189 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.585 -2.400 -21.598 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.836 -2.469 -20.334 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.878 -2.206 -17.970 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.203 -3.394 -18.028 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.530 -3.939 -17.759 1.00 0.00 H new ATOM 402 N THR A 30 -7.896 -7.845 -18.421 1.00 0.00 N ATOM 403 CA THR A 30 -8.743 -9.031 -18.410 1.00 0.00 C ATOM 404 C THR A 30 -10.163 -8.688 -17.976 1.00 0.00 C ATOM 405 O THR A 30 -11.133 -9.156 -18.571 1.00 0.00 O ATOM 406 CB THR A 30 -8.179 -10.115 -17.472 1.00 0.00 C ATOM 407 OG1 THR A 30 -9.042 -11.257 -17.468 1.00 0.00 O ATOM 408 CG2 THR A 30 -8.030 -9.580 -16.055 1.00 0.00 C ATOM 0 H THR A 30 -7.478 -7.617 -17.519 1.00 0.00 H new ATOM 0 HA THR A 30 -8.761 -9.417 -19.429 1.00 0.00 H new ATOM 0 HB THR A 30 -7.195 -10.406 -17.839 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.675 -11.942 -16.871 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.630 -10.363 -15.411 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.349 -8.729 -16.057 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.004 -9.264 -15.681 1.00 0.00 H new ATOM 416 N GLN A 31 -10.278 -7.867 -16.936 1.00 0.00 N ATOM 417 CA GLN A 31 -11.581 -7.462 -16.423 1.00 0.00 C ATOM 418 C GLN A 31 -11.655 -5.948 -16.260 1.00 0.00 C ATOM 419 O GLN A 31 -11.939 -5.428 -15.181 1.00 0.00 O ATOM 420 CB GLN A 31 -11.860 -8.146 -15.083 1.00 0.00 C ATOM 421 CG GLN A 31 -12.354 -9.577 -15.222 1.00 0.00 C ATOM 422 CD GLN A 31 -13.783 -9.655 -15.723 1.00 0.00 C ATOM 423 OE1 GLN A 31 -14.726 -9.336 -14.997 1.00 0.00 O ATOM 424 NE2 GLN A 31 -13.951 -10.080 -16.969 1.00 0.00 N ATOM 0 H GLN A 31 -9.485 -7.470 -16.433 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.339 -7.769 -17.144 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.948 -8.141 -14.485 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.603 -7.565 -14.536 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.702 -10.117 -15.909 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.284 -10.077 -14.256 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.141 -10.334 -17.535 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -14.890 -10.153 -17.361 1.00 0.00 H new ATOM 433 N PRO A 32 -11.393 -5.221 -17.357 1.00 0.00 N ATOM 434 CA PRO A 32 -11.424 -3.755 -17.360 1.00 0.00 C ATOM 435 C PRO A 32 -12.839 -3.205 -17.213 1.00 0.00 C ATOM 436 O PRO A 32 -13.809 -3.962 -17.163 1.00 0.00 O ATOM 437 CB PRO A 32 -10.849 -3.392 -18.731 1.00 0.00 C ATOM 438 CG PRO A 32 -11.130 -4.579 -19.587 1.00 0.00 C ATOM 439 CD PRO A 32 -11.048 -5.773 -18.677 1.00 0.00 C ATOM 0 HA PRO A 32 -10.867 -3.333 -16.523 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.319 -2.494 -19.132 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.779 -3.192 -18.671 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -12.116 -4.505 -20.046 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.406 -4.656 -20.398 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -11.743 -6.557 -18.979 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -10.051 -6.213 -18.680 1.00 0.00 H new ATOM 447 N LEU A 33 -12.950 -1.883 -17.145 1.00 0.00 N ATOM 448 CA LEU A 33 -14.247 -1.230 -17.004 1.00 0.00 C ATOM 449 C LEU A 33 -14.690 -0.608 -18.325 1.00 0.00 C ATOM 450 O LEU A 33 -13.898 -0.479 -19.258 1.00 0.00 O ATOM 451 CB LEU A 33 -14.185 -0.156 -15.917 1.00 0.00 C ATOM 452 CG LEU A 33 -13.582 -0.589 -14.580 1.00 0.00 C ATOM 453 CD1 LEU A 33 -13.641 0.551 -13.575 1.00 0.00 C ATOM 454 CD2 LEU A 33 -14.304 -1.815 -14.042 1.00 0.00 C ATOM 0 H LEU A 33 -12.158 -1.242 -17.185 1.00 0.00 H new ATOM 0 HA LEU A 33 -14.977 -1.987 -16.717 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -13.607 0.686 -16.298 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -15.196 0.208 -15.736 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.536 -0.850 -14.742 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -13.208 0.225 -12.629 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.079 1.403 -13.958 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -14.679 0.843 -13.417 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.862 -2.109 -13.090 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -15.358 -1.581 -13.895 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.210 -2.635 -14.754 1.00 0.00 H new ATOM 466 N SER A 34 -15.961 -0.224 -18.395 1.00 0.00 N ATOM 467 CA SER A 34 -16.510 0.383 -19.602 1.00 0.00 C ATOM 468 C SER A 34 -16.893 1.839 -19.352 1.00 0.00 C ATOM 469 O SER A 34 -17.249 2.216 -18.234 1.00 0.00 O ATOM 470 CB SER A 34 -17.731 -0.402 -20.083 1.00 0.00 C ATOM 471 OG SER A 34 -18.288 0.183 -21.248 1.00 0.00 O ATOM 0 H SER A 34 -16.629 -0.322 -17.631 1.00 0.00 H new ATOM 0 HA SER A 34 -15.742 0.355 -20.375 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.445 -1.433 -20.291 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.482 -0.433 -19.293 1.00 0.00 H new ATOM 0 HG SER A 34 -19.066 -0.339 -21.536 1.00 0.00 H new ATOM 477 N LEU A 35 -16.818 2.652 -20.399 1.00 0.00 N ATOM 478 CA LEU A 35 -17.157 4.067 -20.295 1.00 0.00 C ATOM 479 C LEU A 35 -18.080 4.491 -21.433 1.00 0.00 C ATOM 480 O LEU A 35 -18.287 3.744 -22.389 1.00 0.00 O ATOM 481 CB LEU A 35 -15.887 4.919 -20.309 1.00 0.00 C ATOM 482 CG LEU A 35 -14.740 4.428 -19.425 1.00 0.00 C ATOM 483 CD1 LEU A 35 -13.483 5.245 -19.679 1.00 0.00 C ATOM 484 CD2 LEU A 35 -15.133 4.494 -17.956 1.00 0.00 C ATOM 0 H LEU A 35 -16.525 2.356 -21.330 1.00 0.00 H new ATOM 0 HA LEU A 35 -17.680 4.221 -19.351 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -15.527 4.982 -21.336 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -16.149 5.931 -20.001 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.531 3.389 -19.678 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.678 4.881 -19.041 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.190 5.147 -20.724 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.679 6.293 -19.454 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.305 4.141 -17.342 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.370 5.524 -17.689 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.006 3.865 -17.784 1.00 0.00 H new ATOM 496 N ASP A 36 -18.630 5.695 -21.324 1.00 0.00 N ATOM 497 CA ASP A 36 -19.529 6.221 -22.345 1.00 0.00 C ATOM 498 C ASP A 36 -18.745 6.926 -23.448 1.00 0.00 C ATOM 499 O ASP A 36 -19.291 7.747 -24.185 1.00 0.00 O ATOM 500 CB ASP A 36 -20.536 7.187 -21.721 1.00 0.00 C ATOM 501 CG ASP A 36 -21.357 6.539 -20.624 1.00 0.00 C ATOM 502 OD1 ASP A 36 -21.695 5.345 -20.763 1.00 0.00 O ATOM 503 OD2 ASP A 36 -21.662 7.225 -19.626 1.00 0.00 O ATOM 0 H ASP A 36 -18.469 6.326 -20.539 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.068 5.382 -22.786 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -20.005 8.047 -21.313 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.203 7.562 -22.497 1.00 0.00 H new ATOM 508 N CYS A 37 -17.461 6.601 -23.555 1.00 0.00 N ATOM 509 CA CYS A 37 -16.600 7.204 -24.565 1.00 0.00 C ATOM 510 C CYS A 37 -16.141 6.161 -25.581 1.00 0.00 C ATOM 511 O CYS A 37 -15.984 6.458 -26.764 1.00 0.00 O ATOM 512 CB CYS A 37 -15.385 7.859 -23.906 1.00 0.00 C ATOM 513 SG CYS A 37 -14.127 6.677 -23.324 1.00 0.00 S ATOM 0 H CYS A 37 -16.994 5.923 -22.954 1.00 0.00 H new ATOM 0 HA CYS A 37 -17.176 7.967 -25.088 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -14.923 8.543 -24.618 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -15.723 8.459 -23.061 1.00 0.00 H new ATOM 518 N GLY A 38 -15.928 4.936 -25.108 1.00 0.00 N ATOM 519 CA GLY A 38 -15.489 3.868 -25.987 1.00 0.00 C ATOM 520 C GLY A 38 -14.065 3.433 -25.705 1.00 0.00 C ATOM 521 O GLY A 38 -13.262 3.276 -26.625 1.00 0.00 O ATOM 0 H GLY A 38 -16.052 4.665 -24.133 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -16.156 3.013 -25.875 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.566 4.199 -27.023 1.00 0.00 H new ATOM 525 N HIS A 39 -13.749 3.238 -24.428 1.00 0.00 N ATOM 526 CA HIS A 39 -12.411 2.820 -24.027 1.00 0.00 C ATOM 527 C HIS A 39 -12.445 2.114 -22.674 1.00 0.00 C ATOM 528 O HIS A 39 -13.168 2.526 -21.766 1.00 0.00 O ATOM 529 CB HIS A 39 -11.474 4.026 -23.962 1.00 0.00 C ATOM 530 CG HIS A 39 -11.195 4.639 -25.300 1.00 0.00 C ATOM 531 ND1 HIS A 39 -11.491 5.952 -25.602 1.00 0.00 N ATOM 532 CD2 HIS A 39 -10.642 4.113 -26.417 1.00 0.00 C ATOM 533 CE1 HIS A 39 -11.133 6.205 -26.849 1.00 0.00 C ATOM 534 NE2 HIS A 39 -10.615 5.106 -27.365 1.00 0.00 N ATOM 0 H HIS A 39 -14.402 3.363 -23.654 1.00 0.00 H new ATOM 0 HA HIS A 39 -12.037 2.120 -24.774 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -11.912 4.781 -23.309 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.532 3.720 -23.508 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.288 3.100 -26.540 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.245 7.150 -27.359 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -10.253 5.010 -28.314 1.00 0.00 H new ATOM 542 N SER A 40 -11.660 1.049 -22.547 1.00 0.00 N ATOM 543 CA SER A 40 -11.604 0.284 -21.307 1.00 0.00 C ATOM 544 C SER A 40 -10.374 0.666 -20.489 1.00 0.00 C ATOM 545 O SER A 40 -9.431 1.264 -21.006 1.00 0.00 O ATOM 546 CB SER A 40 -11.585 -1.215 -21.609 1.00 0.00 C ATOM 547 OG SER A 40 -12.274 -1.502 -22.813 1.00 0.00 O ATOM 0 H SER A 40 -11.054 0.696 -23.288 1.00 0.00 H new ATOM 0 HA SER A 40 -12.494 0.518 -20.723 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.554 -1.561 -21.685 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.044 -1.761 -20.785 1.00 0.00 H new ATOM 0 HG SER A 40 -12.246 -2.467 -22.984 1.00 0.00 H new ATOM 553 N PHE A 41 -10.392 0.314 -19.207 1.00 0.00 N ATOM 554 CA PHE A 41 -9.280 0.620 -18.315 1.00 0.00 C ATOM 555 C PHE A 41 -9.316 -0.270 -17.076 1.00 0.00 C ATOM 556 O PHE A 41 -10.171 -1.148 -16.953 1.00 0.00 O ATOM 557 CB PHE A 41 -9.320 2.092 -17.901 1.00 0.00 C ATOM 558 CG PHE A 41 -9.271 3.043 -19.062 1.00 0.00 C ATOM 559 CD1 PHE A 41 -10.409 3.305 -19.809 1.00 0.00 C ATOM 560 CD2 PHE A 41 -8.088 3.675 -19.408 1.00 0.00 C ATOM 561 CE1 PHE A 41 -10.366 4.179 -20.878 1.00 0.00 C ATOM 562 CE2 PHE A 41 -8.039 4.551 -20.476 1.00 0.00 C ATOM 563 CZ PHE A 41 -9.180 4.804 -21.212 1.00 0.00 C ATOM 0 H PHE A 41 -11.164 -0.183 -18.763 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.352 0.427 -18.853 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.230 2.276 -17.329 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.480 2.297 -17.238 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -11.339 2.820 -19.552 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.193 3.481 -18.836 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -11.259 4.374 -21.453 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -7.110 5.037 -20.735 1.00 0.00 H new ATOM 0 HZ PHE A 41 -9.145 5.489 -22.047 1.00 0.00 H new ATOM 573 N CYS A 42 -8.382 -0.037 -16.160 1.00 0.00 N ATOM 574 CA CYS A 42 -8.305 -0.816 -14.931 1.00 0.00 C ATOM 575 C CYS A 42 -9.081 -0.137 -13.806 1.00 0.00 C ATOM 576 O CYS A 42 -8.937 1.064 -13.577 1.00 0.00 O ATOM 577 CB CYS A 42 -6.845 -1.007 -14.514 1.00 0.00 C ATOM 578 SG CYS A 42 -5.853 -1.968 -15.702 1.00 0.00 S ATOM 0 H CYS A 42 -7.668 0.686 -16.246 1.00 0.00 H new ATOM 0 HA CYS A 42 -8.753 -1.791 -15.121 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.385 -0.028 -14.381 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -6.817 -1.506 -13.546 1.00 0.00 H new ATOM 583 N GLN A 43 -9.903 -0.914 -13.108 1.00 0.00 N ATOM 584 CA GLN A 43 -10.702 -0.387 -12.008 1.00 0.00 C ATOM 585 C GLN A 43 -9.862 0.513 -11.108 1.00 0.00 C ATOM 586 O GLN A 43 -10.393 1.365 -10.396 1.00 0.00 O ATOM 587 CB GLN A 43 -11.300 -1.533 -11.190 1.00 0.00 C ATOM 588 CG GLN A 43 -12.007 -1.073 -9.925 1.00 0.00 C ATOM 589 CD GLN A 43 -13.373 -0.477 -10.204 1.00 0.00 C ATOM 590 OE1 GLN A 43 -14.346 -1.201 -10.419 1.00 0.00 O ATOM 591 NE2 GLN A 43 -13.453 0.848 -10.202 1.00 0.00 N ATOM 0 H GLN A 43 -10.033 -1.910 -13.285 1.00 0.00 H new ATOM 0 HA GLN A 43 -11.511 0.208 -12.432 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -12.007 -2.082 -11.812 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.506 -2.229 -10.920 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -12.116 -1.919 -9.246 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.389 -0.333 -9.416 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.621 1.409 -10.019 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -14.347 1.305 -10.383 1.00 0.00 H new ATOM 600 N ALA A 44 -8.548 0.317 -11.144 1.00 0.00 N ATOM 601 CA ALA A 44 -7.635 1.112 -10.332 1.00 0.00 C ATOM 602 C ALA A 44 -7.061 2.277 -11.132 1.00 0.00 C ATOM 603 O ALA A 44 -7.224 3.439 -10.759 1.00 0.00 O ATOM 604 CB ALA A 44 -6.513 0.238 -9.791 1.00 0.00 C ATOM 0 H ALA A 44 -8.092 -0.385 -11.727 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.198 1.523 -9.494 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.839 0.844 -9.186 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.935 -0.557 -9.177 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.960 -0.200 -10.622 1.00 0.00 H new ATOM 610 N CYS A 45 -6.389 1.958 -12.233 1.00 0.00 N ATOM 611 CA CYS A 45 -5.790 2.978 -13.086 1.00 0.00 C ATOM 612 C CYS A 45 -6.753 4.142 -13.299 1.00 0.00 C ATOM 613 O CYS A 45 -6.342 5.303 -13.337 1.00 0.00 O ATOM 614 CB CYS A 45 -5.393 2.375 -14.435 1.00 0.00 C ATOM 615 SG CYS A 45 -4.071 1.126 -14.332 1.00 0.00 S ATOM 0 H CYS A 45 -6.245 1.001 -12.556 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.897 3.355 -12.588 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.273 1.920 -14.891 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.069 3.177 -15.098 1.00 0.00 H new ATOM 620 N LEU A 46 -8.035 3.824 -13.439 1.00 0.00 N ATOM 621 CA LEU A 46 -9.057 4.844 -13.649 1.00 0.00 C ATOM 622 C LEU A 46 -9.172 5.758 -12.433 1.00 0.00 C ATOM 623 O LEU A 46 -9.231 6.981 -12.565 1.00 0.00 O ATOM 624 CB LEU A 46 -10.408 4.187 -13.937 1.00 0.00 C ATOM 625 CG LEU A 46 -10.748 3.969 -15.412 1.00 0.00 C ATOM 626 CD1 LEU A 46 -11.846 2.927 -15.559 1.00 0.00 C ATOM 627 CD2 LEU A 46 -11.163 5.280 -16.063 1.00 0.00 C ATOM 0 H LEU A 46 -8.392 2.869 -13.411 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.763 5.448 -14.507 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.435 3.221 -13.432 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.190 4.801 -13.491 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.857 3.601 -15.920 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -12.074 2.786 -16.615 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.511 1.982 -15.130 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.741 3.265 -15.037 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.401 5.106 -17.112 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -12.040 5.678 -15.553 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.345 5.997 -15.991 1.00 0.00 H new ATOM 639 N THR A 47 -9.202 5.157 -11.248 1.00 0.00 N ATOM 640 CA THR A 47 -9.308 5.916 -10.008 1.00 0.00 C ATOM 641 C THR A 47 -8.051 6.741 -9.759 1.00 0.00 C ATOM 642 O THR A 47 -8.129 7.911 -9.387 1.00 0.00 O ATOM 643 CB THR A 47 -9.549 4.990 -8.801 1.00 0.00 C ATOM 644 OG1 THR A 47 -10.772 4.266 -8.975 1.00 0.00 O ATOM 645 CG2 THR A 47 -9.607 5.790 -7.509 1.00 0.00 C ATOM 0 H THR A 47 -9.154 4.146 -11.121 1.00 0.00 H new ATOM 0 HA THR A 47 -10.162 6.585 -10.119 1.00 0.00 H new ATOM 0 HB THR A 47 -8.718 4.288 -8.738 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.583 3.400 -9.393 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.778 5.115 -6.670 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.664 6.317 -7.364 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.421 6.513 -7.565 1.00 0.00 H new ATOM 653 N ALA A 48 -6.893 6.123 -9.967 1.00 0.00 N ATOM 654 CA ALA A 48 -5.618 6.801 -9.767 1.00 0.00 C ATOM 655 C ALA A 48 -5.438 7.938 -10.769 1.00 0.00 C ATOM 656 O ALA A 48 -5.053 9.047 -10.400 1.00 0.00 O ATOM 657 CB ALA A 48 -4.469 5.810 -9.879 1.00 0.00 C ATOM 0 H ALA A 48 -6.812 5.154 -10.274 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.616 7.230 -8.765 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.523 6.331 -9.727 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.582 5.035 -9.121 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.477 5.354 -10.869 1.00 0.00 H new ATOM 663 N ASN A 49 -5.718 7.653 -12.036 1.00 0.00 N ATOM 664 CA ASN A 49 -5.586 8.651 -13.091 1.00 0.00 C ATOM 665 C ASN A 49 -6.413 9.893 -12.772 1.00 0.00 C ATOM 666 O ASN A 49 -5.949 11.021 -12.937 1.00 0.00 O ATOM 667 CB ASN A 49 -6.023 8.065 -14.435 1.00 0.00 C ATOM 668 CG ASN A 49 -5.557 8.902 -15.610 1.00 0.00 C ATOM 669 OD1 ASN A 49 -6.349 9.606 -16.238 1.00 0.00 O ATOM 670 ND2 ASN A 49 -4.266 8.830 -15.913 1.00 0.00 N ATOM 0 H ASN A 49 -6.038 6.739 -12.357 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.537 8.941 -13.153 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.628 7.054 -14.533 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.110 7.986 -14.457 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.894 9.371 -16.694 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.646 8.233 -15.365 1.00 0.00 H new ATOM 677 N HIS A 50 -7.642 9.677 -12.314 1.00 0.00 N ATOM 678 CA HIS A 50 -8.535 10.778 -11.970 1.00 0.00 C ATOM 679 C HIS A 50 -7.891 11.697 -10.937 1.00 0.00 C ATOM 680 O HIS A 50 -7.636 12.871 -11.207 1.00 0.00 O ATOM 681 CB HIS A 50 -9.861 10.239 -11.433 1.00 0.00 C ATOM 682 CG HIS A 50 -10.526 9.260 -12.352 1.00 0.00 C ATOM 683 ND1 HIS A 50 -10.350 9.027 -13.674 1.00 0.00 N flip ATOM 684 CD2 HIS A 50 -11.502 8.381 -11.936 1.00 0.00 C flip ATOM 685 CE1 HIS A 50 -11.214 8.020 -14.028 1.00 0.00 C flip ATOM 686 NE2 HIS A 50 -11.897 7.647 -12.961 1.00 0.00 N flip ATOM 0 H HIS A 50 -8.042 8.750 -12.172 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.726 11.354 -12.875 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -9.686 9.759 -10.470 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.538 11.075 -11.254 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -9.697 9.509 -14.292 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -11.885 8.304 -10.929 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -11.318 7.601 -15.018 1.00 0.00 H new ATOM 694 N LYS A 51 -7.630 11.156 -9.751 1.00 0.00 N ATOM 695 CA LYS A 51 -7.015 11.926 -8.677 1.00 0.00 C ATOM 696 C LYS A 51 -5.801 12.697 -9.186 1.00 0.00 C ATOM 697 O LYS A 51 -5.415 13.716 -8.613 1.00 0.00 O ATOM 698 CB LYS A 51 -6.600 11.001 -7.531 1.00 0.00 C ATOM 699 CG LYS A 51 -7.769 10.292 -6.868 1.00 0.00 C ATOM 700 CD LYS A 51 -7.351 8.952 -6.286 1.00 0.00 C ATOM 701 CE LYS A 51 -6.774 9.108 -4.888 1.00 0.00 C ATOM 702 NZ LYS A 51 -7.827 9.023 -3.839 1.00 0.00 N ATOM 0 H LYS A 51 -7.835 10.186 -9.510 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.751 12.642 -8.310 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.902 10.255 -7.912 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.066 11.583 -6.780 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.177 10.922 -6.077 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.565 10.141 -7.597 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.212 8.284 -6.253 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.611 8.486 -6.937 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.027 8.334 -4.715 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.262 10.067 -4.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.392 9.134 -2.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.527 9.778 -3.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.298 8.098 -3.895 1.00 0.00 H new ATOM 716 N LYS A 52 -5.204 12.205 -10.266 1.00 0.00 N ATOM 717 CA LYS A 52 -4.035 12.849 -10.855 1.00 0.00 C ATOM 718 C LYS A 52 -4.391 14.229 -11.400 1.00 0.00 C ATOM 719 O LYS A 52 -3.778 15.230 -11.029 1.00 0.00 O ATOM 720 CB LYS A 52 -3.458 11.980 -11.974 1.00 0.00 C ATOM 721 CG LYS A 52 -1.947 12.068 -12.096 1.00 0.00 C ATOM 722 CD LYS A 52 -1.529 13.159 -13.067 1.00 0.00 C ATOM 723 CE LYS A 52 -1.171 14.446 -12.339 1.00 0.00 C ATOM 724 NZ LYS A 52 0.270 14.492 -11.968 1.00 0.00 N ATOM 0 H LYS A 52 -5.510 11.362 -10.752 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.285 12.969 -10.073 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.740 10.942 -11.798 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.908 12.276 -12.921 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.513 12.266 -11.116 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.552 11.109 -12.432 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.673 12.820 -13.651 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.339 13.351 -13.771 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.410 15.300 -12.973 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.780 14.536 -11.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.473 15.384 -11.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.493 13.692 -11.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.852 14.432 -12.828 1.00 0.00 H new ATOM 738 N SER A 53 -5.385 14.274 -12.281 1.00 0.00 N ATOM 739 CA SER A 53 -5.821 15.530 -12.878 1.00 0.00 C ATOM 740 C SER A 53 -6.652 16.342 -11.890 1.00 0.00 C ATOM 741 O SER A 53 -7.706 16.874 -12.239 1.00 0.00 O ATOM 742 CB SER A 53 -6.633 15.262 -14.146 1.00 0.00 C ATOM 743 OG SER A 53 -7.673 14.331 -13.899 1.00 0.00 O ATOM 0 H SER A 53 -5.904 13.455 -12.597 1.00 0.00 H new ATOM 0 HA SER A 53 -4.934 16.107 -13.139 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.057 16.196 -14.514 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.977 14.880 -14.928 1.00 0.00 H new ATOM 0 HG SER A 53 -7.562 13.553 -14.485 1.00 0.00 H new ATOM 749 N MET A 54 -6.170 16.433 -10.655 1.00 0.00 N ATOM 750 CA MET A 54 -6.868 17.181 -9.615 1.00 0.00 C ATOM 751 C MET A 54 -6.004 18.326 -9.097 1.00 0.00 C ATOM 752 O MET A 54 -6.517 19.367 -8.685 1.00 0.00 O ATOM 753 CB MET A 54 -7.252 16.254 -8.461 1.00 0.00 C ATOM 754 CG MET A 54 -8.292 15.211 -8.839 1.00 0.00 C ATOM 755 SD MET A 54 -9.898 15.938 -9.220 1.00 0.00 S ATOM 756 CE MET A 54 -10.159 15.329 -10.884 1.00 0.00 C ATOM 0 H MET A 54 -5.299 15.998 -10.350 1.00 0.00 H new ATOM 0 HA MET A 54 -7.774 17.601 -10.051 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.357 15.748 -8.099 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.635 16.854 -7.636 1.00 0.00 H new ATOM 0 HG2 MET A 54 -7.939 14.647 -9.702 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.404 14.501 -8.019 1.00 0.00 H new ATOM 0 HE1 MET A 54 -10.874 15.971 -11.398 1.00 0.00 H new ATOM 0 HE2 MET A 54 -9.213 15.333 -11.425 1.00 0.00 H new ATOM 0 HE3 MET A 54 -10.549 14.312 -10.842 1.00 0.00 H new ATOM 766 N LEU A 55 -4.691 18.127 -9.119 1.00 0.00 N ATOM 767 CA LEU A 55 -3.755 19.144 -8.651 1.00 0.00 C ATOM 768 C LEU A 55 -3.188 19.942 -9.821 1.00 0.00 C ATOM 769 O LEU A 55 -2.913 21.136 -9.696 1.00 0.00 O ATOM 770 CB LEU A 55 -2.617 18.493 -7.863 1.00 0.00 C ATOM 771 CG LEU A 55 -1.526 17.816 -8.694 1.00 0.00 C ATOM 772 CD1 LEU A 55 -0.318 17.495 -7.829 1.00 0.00 C ATOM 773 CD2 LEU A 55 -2.064 16.554 -9.352 1.00 0.00 C ATOM 0 H LEU A 55 -4.250 17.271 -9.456 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.296 19.828 -7.998 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.150 19.256 -7.240 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.046 17.751 -7.190 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.212 18.505 -9.478 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.448 17.014 -8.437 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.081 18.416 -7.405 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.616 16.824 -7.023 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.275 16.085 -9.939 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.406 15.860 -8.584 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.898 16.811 -10.005 1.00 0.00 H new ATOM 785 N ASP A 56 -3.017 19.276 -10.957 1.00 0.00 N ATOM 786 CA ASP A 56 -2.486 19.924 -12.151 1.00 0.00 C ATOM 787 C ASP A 56 -3.604 20.577 -12.958 1.00 0.00 C ATOM 788 O ASP A 56 -3.673 21.802 -13.065 1.00 0.00 O ATOM 789 CB ASP A 56 -1.740 18.909 -13.019 1.00 0.00 C ATOM 790 CG ASP A 56 -0.640 19.549 -13.843 1.00 0.00 C ATOM 791 OD1 ASP A 56 0.502 19.635 -13.344 1.00 0.00 O ATOM 792 OD2 ASP A 56 -0.921 19.964 -14.986 1.00 0.00 O ATOM 0 H ASP A 56 -3.238 18.288 -11.077 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.790 20.701 -11.834 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.310 18.137 -12.381 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.448 18.415 -13.685 1.00 0.00 H new ATOM 797 N LYS A 57 -4.477 19.752 -13.525 1.00 0.00 N ATOM 798 CA LYS A 57 -5.593 20.248 -14.322 1.00 0.00 C ATOM 799 C LYS A 57 -6.809 20.524 -13.444 1.00 0.00 C ATOM 800 O LYS A 57 -7.335 21.636 -13.427 1.00 0.00 O ATOM 801 CB LYS A 57 -5.956 19.237 -15.412 1.00 0.00 C ATOM 802 CG LYS A 57 -4.811 18.926 -16.360 1.00 0.00 C ATOM 803 CD LYS A 57 -4.510 20.101 -17.275 1.00 0.00 C ATOM 804 CE LYS A 57 -3.793 19.653 -18.539 1.00 0.00 C ATOM 805 NZ LYS A 57 -4.716 18.975 -19.490 1.00 0.00 N ATOM 0 H LYS A 57 -4.433 18.736 -13.447 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.286 21.183 -14.790 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.288 18.312 -14.941 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.798 19.622 -15.987 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.920 18.674 -15.785 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.062 18.051 -16.960 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.440 20.604 -17.541 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.895 20.828 -16.745 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.341 20.517 -19.026 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.981 18.975 -18.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.233 18.161 -19.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.560 18.646 -18.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.000 19.644 -20.234 1.00 0.00 H new ATOM 819 N GLY A 58 -7.250 19.504 -12.714 1.00 0.00 N ATOM 820 CA GLY A 58 -8.400 19.658 -11.842 1.00 0.00 C ATOM 821 C GLY A 58 -9.556 18.763 -12.243 1.00 0.00 C ATOM 822 O GLY A 58 -10.255 18.222 -11.387 1.00 0.00 O ATOM 0 H GLY A 58 -6.831 18.574 -12.711 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.108 19.431 -10.817 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.727 20.698 -11.857 1.00 0.00 H new ATOM 826 N GLU A 59 -9.757 18.608 -13.548 1.00 0.00 N ATOM 827 CA GLU A 59 -10.838 17.773 -14.059 1.00 0.00 C ATOM 828 C GLU A 59 -10.289 16.494 -14.684 1.00 0.00 C ATOM 829 O GLU A 59 -9.265 16.513 -15.367 1.00 0.00 O ATOM 830 CB GLU A 59 -11.662 18.545 -15.092 1.00 0.00 C ATOM 831 CG GLU A 59 -12.412 19.731 -14.509 1.00 0.00 C ATOM 832 CD GLU A 59 -11.487 20.859 -14.095 1.00 0.00 C ATOM 833 OE1 GLU A 59 -10.969 21.561 -14.988 1.00 0.00 O ATOM 834 OE2 GLU A 59 -11.283 21.039 -12.876 1.00 0.00 O ATOM 0 H GLU A 59 -9.187 19.049 -14.269 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.480 17.501 -13.221 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.000 18.898 -15.883 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.377 17.865 -15.555 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.125 20.102 -15.245 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.988 19.402 -13.644 1.00 0.00 H new ATOM 841 N SER A 60 -10.977 15.382 -14.443 1.00 0.00 N ATOM 842 CA SER A 60 -10.557 14.092 -14.977 1.00 0.00 C ATOM 843 C SER A 60 -11.286 13.780 -16.280 1.00 0.00 C ATOM 844 O SER A 60 -12.469 14.085 -16.431 1.00 0.00 O ATOM 845 CB SER A 60 -10.819 12.984 -13.956 1.00 0.00 C ATOM 846 OG SER A 60 -10.425 11.720 -14.462 1.00 0.00 O ATOM 0 H SER A 60 -11.828 15.349 -13.881 1.00 0.00 H new ATOM 0 HA SER A 60 -9.488 14.143 -15.182 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.274 13.197 -13.036 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.879 12.963 -13.701 1.00 0.00 H new ATOM 0 HG SER A 60 -10.931 11.014 -14.008 1.00 0.00 H new ATOM 852 N SER A 61 -10.570 13.171 -17.220 1.00 0.00 N ATOM 853 CA SER A 61 -11.147 12.821 -18.513 1.00 0.00 C ATOM 854 C SER A 61 -10.359 11.693 -19.172 1.00 0.00 C ATOM 855 O SER A 61 -9.147 11.574 -18.985 1.00 0.00 O ATOM 856 CB SER A 61 -11.172 14.044 -19.432 1.00 0.00 C ATOM 857 OG SER A 61 -12.245 14.909 -19.100 1.00 0.00 O ATOM 0 H SER A 61 -9.590 12.910 -17.111 1.00 0.00 H new ATOM 0 HA SER A 61 -12.168 12.479 -18.346 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.228 14.583 -19.351 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.268 13.722 -20.469 1.00 0.00 H new ATOM 0 HG SER A 61 -12.516 14.753 -18.171 1.00 0.00 H new ATOM 863 N CYS A 62 -11.055 10.865 -19.943 1.00 0.00 N ATOM 864 CA CYS A 62 -10.424 9.745 -20.630 1.00 0.00 C ATOM 865 C CYS A 62 -9.016 10.113 -21.090 1.00 0.00 C ATOM 866 O CYS A 62 -8.818 11.011 -21.909 1.00 0.00 O ATOM 867 CB CYS A 62 -11.268 9.314 -21.831 1.00 0.00 C ATOM 868 SG CYS A 62 -10.812 7.688 -22.515 1.00 0.00 S ATOM 0 H CYS A 62 -12.058 10.949 -20.108 1.00 0.00 H new ATOM 0 HA CYS A 62 -10.353 8.914 -19.928 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -12.317 9.291 -21.535 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -11.175 10.065 -22.615 1.00 0.00 H new ATOM 873 N PRO A 63 -8.013 9.403 -20.552 1.00 0.00 N ATOM 874 CA PRO A 63 -6.607 9.636 -20.893 1.00 0.00 C ATOM 875 C PRO A 63 -6.277 9.206 -22.318 1.00 0.00 C ATOM 876 O PRO A 63 -5.122 9.260 -22.742 1.00 0.00 O ATOM 877 CB PRO A 63 -5.849 8.769 -19.884 1.00 0.00 C ATOM 878 CG PRO A 63 -6.809 7.692 -19.514 1.00 0.00 C ATOM 879 CD PRO A 63 -8.175 8.318 -19.570 1.00 0.00 C ATOM 0 HA PRO A 63 -6.347 10.693 -20.848 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.940 8.356 -20.321 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.548 9.348 -19.011 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -6.737 6.851 -20.203 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.597 7.306 -18.517 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.933 7.601 -19.885 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.482 8.700 -18.596 1.00 0.00 H new ATOM 887 N VAL A 64 -7.298 8.781 -23.055 1.00 0.00 N ATOM 888 CA VAL A 64 -7.117 8.343 -24.434 1.00 0.00 C ATOM 889 C VAL A 64 -7.729 9.340 -25.411 1.00 0.00 C ATOM 890 O VAL A 64 -7.064 9.811 -26.334 1.00 0.00 O ATOM 891 CB VAL A 64 -7.744 6.957 -24.670 1.00 0.00 C ATOM 892 CG1 VAL A 64 -7.981 6.723 -26.154 1.00 0.00 C ATOM 893 CG2 VAL A 64 -6.861 5.866 -24.084 1.00 0.00 C ATOM 0 H VAL A 64 -8.260 8.731 -22.720 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.043 8.281 -24.608 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.708 6.923 -24.163 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.425 5.738 -26.301 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.657 7.486 -26.539 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.032 6.776 -26.687 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.320 4.893 -24.260 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.881 5.897 -24.560 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.749 6.026 -23.012 1.00 0.00 H new ATOM 903 N CYS A 65 -9.003 9.658 -25.203 1.00 0.00 N ATOM 904 CA CYS A 65 -9.707 10.599 -26.066 1.00 0.00 C ATOM 905 C CYS A 65 -10.003 11.899 -25.324 1.00 0.00 C ATOM 906 O CYS A 65 -10.848 12.689 -25.747 1.00 0.00 O ATOM 907 CB CYS A 65 -11.011 9.980 -26.572 1.00 0.00 C ATOM 908 SG CYS A 65 -12.190 9.544 -25.253 1.00 0.00 S ATOM 0 H CYS A 65 -9.569 9.278 -24.444 1.00 0.00 H new ATOM 0 HA CYS A 65 -9.065 10.825 -26.917 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -11.491 10.680 -27.256 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -10.776 9.083 -27.145 1.00 0.00 H new ATOM 913 N ARG A 66 -9.301 12.116 -24.217 1.00 0.00 N ATOM 914 CA ARG A 66 -9.488 13.319 -23.416 1.00 0.00 C ATOM 915 C ARG A 66 -10.928 13.815 -23.508 1.00 0.00 C ATOM 916 O ARG A 66 -11.177 14.969 -23.857 1.00 0.00 O ATOM 917 CB ARG A 66 -8.529 14.419 -23.877 1.00 0.00 C ATOM 918 CG ARG A 66 -8.042 15.314 -22.750 1.00 0.00 C ATOM 919 CD ARG A 66 -7.105 14.569 -21.812 1.00 0.00 C ATOM 920 NE ARG A 66 -5.710 14.678 -22.230 1.00 0.00 N ATOM 921 CZ ARG A 66 -5.020 15.812 -22.198 1.00 0.00 C ATOM 922 NH1 ARG A 66 -5.592 16.928 -21.769 1.00 0.00 N ATOM 923 NH2 ARG A 66 -3.754 15.831 -22.595 1.00 0.00 N ATOM 0 H ARG A 66 -8.597 11.473 -23.854 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.273 13.070 -22.377 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.668 13.959 -24.362 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.027 15.033 -24.627 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.528 16.180 -23.168 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.897 15.691 -22.188 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.213 14.965 -20.802 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.391 13.518 -21.774 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.240 13.837 -22.565 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.565 16.917 -21.462 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.059 17.798 -21.746 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.310 14.974 -22.925 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.225 16.703 -22.570 1.00 0.00 H new ATOM 937 N ILE A 67 -11.872 12.934 -23.193 1.00 0.00 N ATOM 938 CA ILE A 67 -13.287 13.283 -23.240 1.00 0.00 C ATOM 939 C ILE A 67 -13.823 13.591 -21.846 1.00 0.00 C ATOM 940 O ILE A 67 -13.342 13.050 -20.851 1.00 0.00 O ATOM 941 CB ILE A 67 -14.125 12.150 -23.861 1.00 0.00 C ATOM 942 CG1 ILE A 67 -15.488 12.682 -24.310 1.00 0.00 C ATOM 943 CG2 ILE A 67 -14.297 11.011 -22.867 1.00 0.00 C ATOM 944 CD1 ILE A 67 -16.245 11.726 -25.206 1.00 0.00 C ATOM 0 H ILE A 67 -11.683 11.975 -22.903 1.00 0.00 H new ATOM 0 HA ILE A 67 -13.373 14.172 -23.865 1.00 0.00 H new ATOM 0 HB ILE A 67 -13.599 11.767 -24.735 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -16.093 12.898 -23.429 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -15.345 13.625 -24.837 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -14.892 10.218 -23.321 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -13.318 10.618 -22.591 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -14.804 11.380 -21.976 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -17.201 12.169 -25.485 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -15.660 11.529 -26.105 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -16.420 10.790 -24.675 1.00 0.00 H new ATOM 956 N SER A 68 -14.824 14.463 -21.783 1.00 0.00 N ATOM 957 CA SER A 68 -15.426 14.846 -20.511 1.00 0.00 C ATOM 958 C SER A 68 -16.482 13.832 -20.082 1.00 0.00 C ATOM 959 O SER A 68 -17.334 13.433 -20.876 1.00 0.00 O ATOM 960 CB SER A 68 -16.053 16.238 -20.617 1.00 0.00 C ATOM 961 OG SER A 68 -15.111 17.247 -20.297 1.00 0.00 O ATOM 0 H SER A 68 -15.235 14.918 -22.598 1.00 0.00 H new ATOM 0 HA SER A 68 -14.639 14.866 -19.757 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.429 16.395 -21.628 1.00 0.00 H new ATOM 0 HB3 SER A 68 -16.908 16.308 -19.944 1.00 0.00 H new ATOM 0 HG SER A 68 -15.535 18.127 -20.374 1.00 0.00 H new ATOM 967 N TYR A 69 -16.418 13.418 -18.821 1.00 0.00 N ATOM 968 CA TYR A 69 -17.366 12.448 -18.286 1.00 0.00 C ATOM 969 C TYR A 69 -17.152 12.246 -16.789 1.00 0.00 C ATOM 970 O TYR A 69 -16.147 11.674 -16.368 1.00 0.00 O ATOM 971 CB TYR A 69 -17.229 11.112 -19.018 1.00 0.00 C ATOM 972 CG TYR A 69 -16.036 10.297 -18.571 1.00 0.00 C ATOM 973 CD1 TYR A 69 -14.751 10.822 -18.628 1.00 0.00 C ATOM 974 CD2 TYR A 69 -16.195 9.003 -18.092 1.00 0.00 C ATOM 975 CE1 TYR A 69 -13.658 10.080 -18.222 1.00 0.00 C ATOM 976 CE2 TYR A 69 -15.108 8.255 -17.682 1.00 0.00 C ATOM 977 CZ TYR A 69 -13.842 8.797 -17.749 1.00 0.00 C ATOM 978 OH TYR A 69 -12.756 8.056 -17.343 1.00 0.00 O ATOM 0 H TYR A 69 -15.720 13.739 -18.151 1.00 0.00 H new ATOM 0 HA TYR A 69 -18.372 12.837 -18.441 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -18.136 10.528 -18.864 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -17.149 11.300 -20.089 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -14.604 11.827 -18.996 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -17.185 8.574 -18.039 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -12.665 10.502 -18.275 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -15.249 7.251 -17.311 1.00 0.00 H new ATOM 0 HH TYR A 69 -13.057 7.175 -17.037 1.00 0.00 H new ATOM 988 N GLN A 70 -18.104 12.719 -15.993 1.00 0.00 N ATOM 989 CA GLN A 70 -18.021 12.590 -14.543 1.00 0.00 C ATOM 990 C GLN A 70 -17.694 11.155 -14.142 1.00 0.00 C ATOM 991 O GLN A 70 -18.324 10.200 -14.595 1.00 0.00 O ATOM 992 CB GLN A 70 -19.335 13.027 -13.894 1.00 0.00 C ATOM 993 CG GLN A 70 -19.179 13.490 -12.454 1.00 0.00 C ATOM 994 CD GLN A 70 -18.609 14.891 -12.350 1.00 0.00 C ATOM 995 OE1 GLN A 70 -17.601 15.212 -12.979 1.00 0.00 O ATOM 996 NE2 GLN A 70 -19.254 15.734 -11.552 1.00 0.00 N ATOM 0 H GLN A 70 -18.942 13.195 -16.327 1.00 0.00 H new ATOM 0 HA GLN A 70 -17.218 13.238 -14.192 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -19.769 13.836 -14.482 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -20.040 12.196 -13.925 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -20.150 13.459 -11.959 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -18.528 12.796 -11.922 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -20.086 15.425 -11.049 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -18.917 16.691 -11.442 1.00 0.00 H new ATOM 1005 N PRO A 71 -16.686 10.999 -13.271 1.00 0.00 N ATOM 1006 CA PRO A 71 -16.254 9.683 -12.789 1.00 0.00 C ATOM 1007 C PRO A 71 -17.281 9.037 -11.866 1.00 0.00 C ATOM 1008 O PRO A 71 -17.631 7.869 -12.034 1.00 0.00 O ATOM 1009 CB PRO A 71 -14.966 9.993 -12.021 1.00 0.00 C ATOM 1010 CG PRO A 71 -15.109 11.414 -11.599 1.00 0.00 C ATOM 1011 CD PRO A 71 -15.892 12.093 -12.688 1.00 0.00 C ATOM 0 HA PRO A 71 -16.121 8.974 -13.606 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -14.850 9.334 -11.160 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -14.087 9.853 -12.650 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -15.627 11.487 -10.643 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -14.133 11.883 -11.470 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -16.528 12.884 -12.292 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -15.236 12.552 -13.428 1.00 0.00 H new ATOM 1019 N GLU A 72 -17.761 9.804 -10.893 1.00 0.00 N ATOM 1020 CA GLU A 72 -18.749 9.304 -9.944 1.00 0.00 C ATOM 1021 C GLU A 72 -19.850 8.528 -10.662 1.00 0.00 C ATOM 1022 O GLU A 72 -20.398 7.567 -10.124 1.00 0.00 O ATOM 1023 CB GLU A 72 -19.360 10.462 -9.152 1.00 0.00 C ATOM 1024 CG GLU A 72 -19.799 10.076 -7.750 1.00 0.00 C ATOM 1025 CD GLU A 72 -20.221 11.273 -6.920 1.00 0.00 C ATOM 1026 OE1 GLU A 72 -20.874 12.181 -7.476 1.00 0.00 O ATOM 1027 OE2 GLU A 72 -19.898 11.302 -5.714 1.00 0.00 O ATOM 0 H GLU A 72 -17.482 10.773 -10.741 1.00 0.00 H new ATOM 0 HA GLU A 72 -18.243 8.629 -9.254 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -18.631 11.270 -9.086 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -20.219 10.851 -9.698 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -20.629 9.372 -7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -18.982 9.560 -7.247 1.00 0.00 H new ATOM 1034 N ASN A 73 -20.167 8.954 -11.880 1.00 0.00 N ATOM 1035 CA ASN A 73 -21.203 8.301 -12.672 1.00 0.00 C ATOM 1036 C ASN A 73 -20.798 6.873 -13.025 1.00 0.00 C ATOM 1037 O ASN A 73 -21.394 5.910 -12.541 1.00 0.00 O ATOM 1038 CB ASN A 73 -21.474 9.096 -13.951 1.00 0.00 C ATOM 1039 CG ASN A 73 -22.515 10.180 -13.747 1.00 0.00 C ATOM 1040 OD1 ASN A 73 -23.536 10.213 -14.434 1.00 0.00 O ATOM 1041 ND2 ASN A 73 -22.260 11.074 -12.799 1.00 0.00 N ATOM 0 H ASN A 73 -19.722 9.748 -12.340 1.00 0.00 H new ATOM 0 HA ASN A 73 -22.114 8.265 -12.074 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -20.545 9.549 -14.298 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -21.810 8.416 -14.734 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -22.924 11.827 -12.616 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -21.401 11.008 -12.254 1.00 0.00 H new ATOM 1048 N ILE A 74 -19.781 6.744 -13.871 1.00 0.00 N ATOM 1049 CA ILE A 74 -19.295 5.434 -14.287 1.00 0.00 C ATOM 1050 C ILE A 74 -19.459 4.407 -13.171 1.00 0.00 C ATOM 1051 O ILE A 74 -19.204 4.699 -12.003 1.00 0.00 O ATOM 1052 CB ILE A 74 -17.814 5.489 -14.704 1.00 0.00 C ATOM 1053 CG1 ILE A 74 -17.628 6.454 -15.878 1.00 0.00 C ATOM 1054 CG2 ILE A 74 -17.314 4.100 -15.069 1.00 0.00 C ATOM 1055 CD1 ILE A 74 -17.330 7.874 -15.451 1.00 0.00 C ATOM 0 H ILE A 74 -19.278 7.531 -14.282 1.00 0.00 H new ATOM 0 HA ILE A 74 -19.895 5.133 -15.146 1.00 0.00 H new ATOM 0 HB ILE A 74 -17.228 5.854 -13.861 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -16.815 6.094 -16.508 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -18.531 6.449 -16.489 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -16.265 4.156 -15.362 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -17.416 3.439 -14.208 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -17.902 3.708 -15.899 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -17.210 8.502 -16.334 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -18.154 8.252 -14.846 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -16.411 7.893 -14.865 1.00 0.00 H new ATOM 1067 N ARG A 75 -19.885 3.204 -13.540 1.00 0.00 N ATOM 1068 CA ARG A 75 -20.083 2.133 -12.571 1.00 0.00 C ATOM 1069 C ARG A 75 -19.946 0.766 -13.236 1.00 0.00 C ATOM 1070 O ARG A 75 -20.324 0.570 -14.391 1.00 0.00 O ATOM 1071 CB ARG A 75 -21.459 2.257 -11.915 1.00 0.00 C ATOM 1072 CG ARG A 75 -22.611 1.910 -12.844 1.00 0.00 C ATOM 1073 CD ARG A 75 -23.899 2.594 -12.414 1.00 0.00 C ATOM 1074 NE ARG A 75 -25.024 2.231 -13.272 1.00 0.00 N ATOM 1075 CZ ARG A 75 -26.257 2.696 -13.103 1.00 0.00 C ATOM 1076 NH1 ARG A 75 -26.521 3.538 -12.114 1.00 0.00 N ATOM 1077 NH2 ARG A 75 -27.227 2.319 -13.926 1.00 0.00 N ATOM 0 H ARG A 75 -20.100 2.946 -14.503 1.00 0.00 H new ATOM 0 HA ARG A 75 -19.313 2.224 -11.804 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -21.497 1.603 -11.044 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -21.589 3.277 -11.554 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -22.361 2.209 -13.862 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -22.758 0.830 -12.856 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -24.127 2.323 -11.383 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -23.760 3.675 -12.436 1.00 0.00 H new ATOM 0 HE ARG A 75 -24.854 1.585 -14.043 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -25.777 3.830 -11.481 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -27.468 3.894 -11.986 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -27.026 1.672 -14.689 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -28.174 2.676 -13.796 1.00 0.00 H new ATOM 1091 N PRO A 76 -19.393 -0.202 -12.490 1.00 0.00 N ATOM 1092 CA PRO A 76 -19.194 -1.567 -12.987 1.00 0.00 C ATOM 1093 C PRO A 76 -20.510 -2.318 -13.161 1.00 0.00 C ATOM 1094 O PRO A 76 -21.570 -1.832 -12.770 1.00 0.00 O ATOM 1095 CB PRO A 76 -18.346 -2.222 -11.894 1.00 0.00 C ATOM 1096 CG PRO A 76 -18.660 -1.451 -10.658 1.00 0.00 C ATOM 1097 CD PRO A 76 -18.920 -0.039 -11.105 1.00 0.00 C ATOM 0 HA PRO A 76 -18.728 -1.578 -13.972 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -18.596 -3.276 -11.777 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -17.284 -2.171 -12.133 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -19.531 -1.866 -10.150 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -17.830 -1.490 -9.952 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -19.668 0.449 -10.480 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -18.017 0.570 -11.058 1.00 0.00 H new ATOM 1105 N ASN A 77 -20.433 -3.507 -13.751 1.00 0.00 N ATOM 1106 CA ASN A 77 -21.619 -4.325 -13.978 1.00 0.00 C ATOM 1107 C ASN A 77 -22.285 -4.696 -12.656 1.00 0.00 C ATOM 1108 O ASN A 77 -23.455 -4.384 -12.430 1.00 0.00 O ATOM 1109 CB ASN A 77 -21.249 -5.594 -14.748 1.00 0.00 C ATOM 1110 CG ASN A 77 -20.617 -5.290 -16.093 1.00 0.00 C ATOM 1111 OD1 ASN A 77 -21.270 -4.764 -16.994 1.00 0.00 O ATOM 1112 ND2 ASN A 77 -19.339 -5.622 -16.234 1.00 0.00 N ATOM 0 H ASN A 77 -19.563 -3.925 -14.080 1.00 0.00 H new ATOM 0 HA ASN A 77 -22.324 -3.741 -14.569 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -20.558 -6.190 -14.151 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -22.143 -6.199 -14.898 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -18.860 -5.443 -17.116 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -18.837 -6.056 -15.460 1.00 0.00 H new ATOM 1119 N ARG A 78 -21.532 -5.361 -11.786 1.00 0.00 N ATOM 1120 CA ARG A 78 -22.049 -5.774 -10.487 1.00 0.00 C ATOM 1121 C ARG A 78 -20.911 -6.009 -9.498 1.00 0.00 C ATOM 1122 O ARG A 78 -19.866 -6.554 -9.856 1.00 0.00 O ATOM 1123 CB ARG A 78 -22.886 -7.047 -10.629 1.00 0.00 C ATOM 1124 CG ARG A 78 -23.996 -7.164 -9.597 1.00 0.00 C ATOM 1125 CD ARG A 78 -23.524 -7.897 -8.352 1.00 0.00 C ATOM 1126 NE ARG A 78 -23.667 -9.345 -8.482 1.00 0.00 N ATOM 1127 CZ ARG A 78 -24.840 -9.966 -8.533 1.00 0.00 C ATOM 1128 NH1 ARG A 78 -25.966 -9.270 -8.465 1.00 0.00 N ATOM 1129 NH2 ARG A 78 -24.888 -11.287 -8.652 1.00 0.00 N ATOM 0 H ARG A 78 -20.562 -5.625 -11.957 1.00 0.00 H new ATOM 0 HA ARG A 78 -22.680 -4.972 -10.104 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -23.324 -7.074 -11.627 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -22.231 -7.914 -10.545 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -24.346 -6.169 -9.324 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -24.844 -7.692 -10.032 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -22.479 -7.652 -8.161 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -24.095 -7.552 -7.490 1.00 0.00 H new ATOM 0 HE ARG A 78 -22.820 -9.910 -8.537 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -25.933 -8.255 -8.373 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -26.865 -9.750 -8.504 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -24.024 -11.826 -8.704 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -25.789 -11.763 -8.691 1.00 0.00 H new ATOM 1143 N HIS A 79 -21.120 -5.592 -8.253 1.00 0.00 N ATOM 1144 CA HIS A 79 -20.111 -5.757 -7.213 1.00 0.00 C ATOM 1145 C HIS A 79 -19.919 -7.231 -6.871 1.00 0.00 C ATOM 1146 O HIS A 79 -20.775 -7.850 -6.239 1.00 0.00 O ATOM 1147 CB HIS A 79 -20.511 -4.979 -5.958 1.00 0.00 C ATOM 1148 CG HIS A 79 -20.167 -3.523 -6.022 1.00 0.00 C ATOM 1149 ND1 HIS A 79 -19.831 -2.779 -4.911 1.00 0.00 N ATOM 1150 CD2 HIS A 79 -20.108 -2.672 -7.074 1.00 0.00 C ATOM 1151 CE1 HIS A 79 -19.581 -1.534 -5.275 1.00 0.00 C ATOM 1152 NE2 HIS A 79 -19.742 -1.443 -6.583 1.00 0.00 N ATOM 0 H HIS A 79 -21.978 -5.138 -7.940 1.00 0.00 H new ATOM 0 HA HIS A 79 -19.167 -5.364 -7.591 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -21.585 -5.084 -5.802 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -20.018 -5.423 -5.093 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -20.311 -2.915 -8.107 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -19.294 -0.728 -4.616 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -19.615 -0.597 -7.138 1.00 0.00 H new ATOM 1160 N VAL A 80 -18.789 -7.789 -7.295 1.00 0.00 N ATOM 1161 CA VAL A 80 -18.484 -9.191 -7.034 1.00 0.00 C ATOM 1162 C VAL A 80 -17.109 -9.344 -6.393 1.00 0.00 C ATOM 1163 O VAL A 80 -16.214 -8.530 -6.619 1.00 0.00 O ATOM 1164 CB VAL A 80 -18.531 -10.026 -8.328 1.00 0.00 C ATOM 1165 CG1 VAL A 80 -19.907 -9.940 -8.969 1.00 0.00 C ATOM 1166 CG2 VAL A 80 -17.452 -9.567 -9.297 1.00 0.00 C ATOM 0 H VAL A 80 -18.070 -7.292 -7.820 1.00 0.00 H new ATOM 0 HA VAL A 80 -19.245 -9.558 -6.346 1.00 0.00 H new ATOM 0 HB VAL A 80 -18.340 -11.069 -8.075 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -19.921 -10.536 -9.882 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -20.656 -10.321 -8.275 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -20.132 -8.901 -9.211 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -17.500 -10.167 -10.205 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -17.610 -8.518 -9.547 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -16.472 -9.686 -8.834 1.00 0.00 H new ATOM 1176 N ALA A 81 -16.948 -10.393 -5.593 1.00 0.00 N ATOM 1177 CA ALA A 81 -15.682 -10.654 -4.921 1.00 0.00 C ATOM 1178 C ALA A 81 -14.892 -11.742 -5.642 1.00 0.00 C ATOM 1179 O ALA A 81 -14.234 -12.566 -5.010 1.00 0.00 O ATOM 1180 CB ALA A 81 -15.925 -11.049 -3.472 1.00 0.00 C ATOM 0 H ALA A 81 -17.679 -11.076 -5.395 1.00 0.00 H new ATOM 0 HA ALA A 81 -15.092 -9.738 -4.942 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -14.970 -11.241 -2.982 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -16.441 -10.240 -2.956 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -16.538 -11.950 -3.438 1.00 0.00 H new ATOM 1186 N ASN A 82 -14.963 -11.737 -6.969 1.00 0.00 N ATOM 1187 CA ASN A 82 -14.255 -12.724 -7.776 1.00 0.00 C ATOM 1188 C ASN A 82 -12.820 -12.281 -8.042 1.00 0.00 C ATOM 1189 O ASN A 82 -12.513 -11.739 -9.104 1.00 0.00 O ATOM 1190 CB ASN A 82 -14.986 -12.948 -9.102 1.00 0.00 C ATOM 1191 CG ASN A 82 -16.075 -13.997 -8.992 1.00 0.00 C ATOM 1192 OD1 ASN A 82 -16.235 -14.635 -7.951 1.00 0.00 O ATOM 1193 ND2 ASN A 82 -16.831 -14.180 -10.068 1.00 0.00 N ATOM 0 H ASN A 82 -15.504 -11.061 -7.508 1.00 0.00 H new ATOM 0 HA ASN A 82 -14.230 -13.661 -7.220 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -15.424 -12.007 -9.436 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -14.267 -13.253 -9.863 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -17.580 -14.872 -10.053 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.663 -13.629 -10.909 1.00 0.00 H new ATOM 1200 N ILE A 83 -11.944 -12.516 -7.070 1.00 0.00 N ATOM 1201 CA ILE A 83 -10.541 -12.143 -7.200 1.00 0.00 C ATOM 1202 C ILE A 83 -9.701 -13.322 -7.676 1.00 0.00 C ATOM 1203 O ILE A 83 -9.707 -14.390 -7.064 1.00 0.00 O ATOM 1204 CB ILE A 83 -9.971 -11.625 -5.867 1.00 0.00 C ATOM 1205 CG1 ILE A 83 -10.763 -10.407 -5.387 1.00 0.00 C ATOM 1206 CG2 ILE A 83 -8.497 -11.279 -6.020 1.00 0.00 C ATOM 1207 CD1 ILE A 83 -10.490 -10.039 -3.945 1.00 0.00 C ATOM 0 H ILE A 83 -12.181 -12.963 -6.184 1.00 0.00 H new ATOM 0 HA ILE A 83 -10.494 -11.344 -7.940 1.00 0.00 H new ATOM 0 HB ILE A 83 -10.064 -12.412 -5.119 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -10.524 -9.555 -6.023 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -11.828 -10.606 -5.508 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -8.108 -10.914 -5.069 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -7.944 -12.169 -6.321 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -8.382 -10.506 -6.780 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -11.085 -9.167 -3.673 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -10.756 -10.876 -3.299 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.432 -9.808 -3.822 1.00 0.00 H new ATOM 1219 N VAL A 84 -8.975 -13.121 -8.772 1.00 0.00 N ATOM 1220 CA VAL A 84 -8.126 -14.167 -9.329 1.00 0.00 C ATOM 1221 C VAL A 84 -6.659 -13.753 -9.309 1.00 0.00 C ATOM 1222 O VAL A 84 -6.260 -12.815 -9.998 1.00 0.00 O ATOM 1223 CB VAL A 84 -8.532 -14.509 -10.775 1.00 0.00 C ATOM 1224 CG1 VAL A 84 -9.947 -15.066 -10.815 1.00 0.00 C ATOM 1225 CG2 VAL A 84 -8.408 -13.283 -11.667 1.00 0.00 C ATOM 0 H VAL A 84 -8.958 -12.243 -9.291 1.00 0.00 H new ATOM 0 HA VAL A 84 -8.260 -15.050 -8.704 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.855 -15.275 -11.152 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -10.216 -15.302 -11.845 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -9.999 -15.971 -10.210 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.641 -14.325 -10.419 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -8.699 -13.543 -12.685 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.060 -12.494 -11.293 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -7.376 -12.933 -11.663 1.00 0.00 H new ATOM 1235 N GLU A 85 -5.861 -14.459 -8.515 1.00 0.00 N ATOM 1236 CA GLU A 85 -4.437 -14.164 -8.406 1.00 0.00 C ATOM 1237 C GLU A 85 -3.599 -15.316 -8.953 1.00 0.00 C ATOM 1238 O GLU A 85 -2.983 -15.165 -10.007 1.00 0.00 O ATOM 1239 CB GLU A 85 -4.060 -13.892 -6.948 1.00 0.00 C ATOM 1240 CG GLU A 85 -4.319 -15.069 -6.023 1.00 0.00 C ATOM 1241 CD GLU A 85 -3.267 -16.154 -6.151 1.00 0.00 C ATOM 1242 OE1 GLU A 85 -2.068 -15.810 -6.229 1.00 0.00 O ATOM 1243 OE2 GLU A 85 -3.641 -17.344 -6.173 1.00 0.00 O ATOM 0 H GLU A 85 -6.176 -15.239 -7.938 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.230 -13.273 -9.000 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.004 -13.627 -6.898 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.622 -13.029 -6.591 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -4.348 -14.716 -4.992 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.299 -15.491 -6.244 1.00 0.00 H new TER 1250 GLU A 85 HETATM 1251 ZN ZN A 201 -4.044 -0.389 -15.982 1.00 0.00 ZN HETATM 1252 ZN ZN A 401 -12.164 7.447 -24.446 1.00 0.00 ZN