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 HD1:sc= 0.465 F(o=-2.4,f=0.77) USER MOD Set 1.2: A 60 SER OG : rot 123:sc= 0.301 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 23:sc= 1.18 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 17:sc= 1.02 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -100:sc= -0.339 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.0477 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.534 X(o=-0.53,f=-0.26) USER MOD Single : A 47 THR OG1 : rot 91:sc= 0.0806 USER MOD Single : A 49 ASN : amide:sc= -0.447 K(o=-0.45,f=-2.5!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -176:sc= 0.0246 (180deg=0.023) USER MOD Single : A 53 SER OG : rot 140:sc= -0.405 USER MOD Single : A 54 MET CE :methyl 167:sc= -0.0141 (180deg=-0.234) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 130:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 77 ASN :FLIP amide:sc= 0.337 F(o=-0.73,f=0.34) USER MOD Single : A 79 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-2.6!) USER MOD Single : A 82 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.849 -17.900 1.526 1.00 0.00 N ATOM 2 CA GLY A 1 22.634 -18.008 0.309 1.00 0.00 C ATOM 3 C GLY A 1 22.076 -19.039 -0.651 1.00 0.00 C ATOM 4 O GLY A 1 22.772 -19.978 -1.038 1.00 0.00 O ATOM 0 H1 GLY A 1 22.271 -17.182 2.149 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.876 -17.622 1.288 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.837 -18.818 2.014 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.668 -17.037 -0.185 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.660 -18.272 0.564 1.00 0.00 H new ATOM 8 N SER A 2 20.815 -18.867 -1.035 1.00 0.00 N ATOM 9 CA SER A 2 20.162 -19.794 -1.952 1.00 0.00 C ATOM 10 C SER A 2 19.313 -19.042 -2.972 1.00 0.00 C ATOM 11 O SER A 2 18.595 -18.103 -2.627 1.00 0.00 O ATOM 12 CB SER A 2 19.290 -20.783 -1.176 1.00 0.00 C ATOM 13 OG SER A 2 19.123 -21.991 -1.897 1.00 0.00 O ATOM 0 H SER A 2 20.225 -18.094 -0.725 1.00 0.00 H new ATOM 0 HA SER A 2 20.937 -20.345 -2.485 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.746 -20.993 -0.209 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.316 -20.336 -0.978 1.00 0.00 H new ATOM 0 HG SER A 2 18.563 -22.607 -1.379 1.00 0.00 H new ATOM 19 N SER A 3 19.401 -19.461 -4.230 1.00 0.00 N ATOM 20 CA SER A 3 18.644 -18.825 -5.303 1.00 0.00 C ATOM 21 C SER A 3 17.406 -19.645 -5.654 1.00 0.00 C ATOM 22 O SER A 3 17.414 -20.872 -5.562 1.00 0.00 O ATOM 23 CB SER A 3 19.523 -18.652 -6.542 1.00 0.00 C ATOM 24 OG SER A 3 20.682 -17.893 -6.243 1.00 0.00 O ATOM 0 H SER A 3 19.989 -20.238 -4.532 1.00 0.00 H new ATOM 0 HA SER A 3 18.322 -17.844 -4.955 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.814 -19.630 -6.925 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.954 -18.158 -7.329 1.00 0.00 H new ATOM 0 HG SER A 3 21.228 -17.798 -7.051 1.00 0.00 H new ATOM 30 N GLY A 4 16.343 -18.956 -6.057 1.00 0.00 N ATOM 31 CA GLY A 4 15.112 -19.636 -6.417 1.00 0.00 C ATOM 32 C GLY A 4 14.284 -18.848 -7.413 1.00 0.00 C ATOM 33 O GLY A 4 13.162 -18.440 -7.113 1.00 0.00 O ATOM 0 H GLY A 4 16.312 -17.940 -6.141 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.350 -20.612 -6.839 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.522 -19.813 -5.518 1.00 0.00 H new ATOM 37 N SER A 5 14.839 -18.633 -8.601 1.00 0.00 N ATOM 38 CA SER A 5 14.148 -17.883 -9.644 1.00 0.00 C ATOM 39 C SER A 5 14.040 -18.706 -10.924 1.00 0.00 C ATOM 40 O SER A 5 15.019 -18.870 -11.653 1.00 0.00 O ATOM 41 CB SER A 5 14.879 -16.570 -9.928 1.00 0.00 C ATOM 42 OG SER A 5 14.511 -15.569 -8.994 1.00 0.00 O ATOM 0 H SER A 5 15.766 -18.967 -8.866 1.00 0.00 H new ATOM 0 HA SER A 5 13.141 -17.660 -9.290 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.956 -16.733 -9.886 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.647 -16.232 -10.938 1.00 0.00 H new ATOM 0 HG SER A 5 14.993 -14.740 -9.196 1.00 0.00 H new ATOM 48 N SER A 6 12.845 -19.222 -11.190 1.00 0.00 N ATOM 49 CA SER A 6 12.609 -20.031 -12.380 1.00 0.00 C ATOM 50 C SER A 6 11.115 -20.161 -12.662 1.00 0.00 C ATOM 51 O SER A 6 10.300 -20.202 -11.742 1.00 0.00 O ATOM 52 CB SER A 6 13.230 -21.419 -12.210 1.00 0.00 C ATOM 53 OG SER A 6 14.616 -21.398 -12.504 1.00 0.00 O ATOM 0 H SER A 6 12.025 -19.094 -10.597 1.00 0.00 H new ATOM 0 HA SER A 6 13.079 -19.532 -13.227 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.077 -21.766 -11.188 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.727 -22.129 -12.867 1.00 0.00 H new ATOM 0 HG SER A 6 14.959 -20.486 -12.399 1.00 0.00 H new ATOM 59 N GLY A 7 10.764 -20.226 -13.943 1.00 0.00 N ATOM 60 CA GLY A 7 9.369 -20.350 -14.324 1.00 0.00 C ATOM 61 C GLY A 7 8.768 -21.674 -13.899 1.00 0.00 C ATOM 62 O GLY A 7 8.873 -22.067 -12.737 1.00 0.00 O ATOM 0 H GLY A 7 11.420 -20.195 -14.723 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.799 -19.536 -13.876 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.280 -20.244 -15.405 1.00 0.00 H new ATOM 66 N MET A 8 8.133 -22.364 -14.841 1.00 0.00 N ATOM 67 CA MET A 8 7.511 -23.652 -14.556 1.00 0.00 C ATOM 68 C MET A 8 7.738 -24.631 -15.704 1.00 0.00 C ATOM 69 O MET A 8 8.174 -24.241 -16.787 1.00 0.00 O ATOM 70 CB MET A 8 6.012 -23.476 -14.309 1.00 0.00 C ATOM 71 CG MET A 8 5.680 -22.992 -12.907 1.00 0.00 C ATOM 72 SD MET A 8 4.015 -23.451 -12.389 1.00 0.00 S ATOM 73 CE MET A 8 3.828 -22.446 -10.919 1.00 0.00 C ATOM 0 H MET A 8 8.036 -22.053 -15.808 1.00 0.00 H new ATOM 0 HA MET A 8 7.974 -24.060 -13.657 1.00 0.00 H new ATOM 0 HB2 MET A 8 5.614 -22.766 -15.034 1.00 0.00 H new ATOM 0 HB3 MET A 8 5.509 -24.427 -14.485 1.00 0.00 H new ATOM 0 HG2 MET A 8 6.402 -23.406 -12.203 1.00 0.00 H new ATOM 0 HG3 MET A 8 5.782 -21.908 -12.868 1.00 0.00 H new ATOM 0 HE1 MET A 8 2.844 -22.619 -10.482 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.598 -22.713 -10.195 1.00 0.00 H new ATOM 0 HE3 MET A 8 3.927 -21.393 -11.183 1.00 0.00 H new ATOM 83 N ALA A 9 7.438 -25.902 -15.460 1.00 0.00 N ATOM 84 CA ALA A 9 7.607 -26.935 -16.475 1.00 0.00 C ATOM 85 C ALA A 9 6.483 -26.883 -17.504 1.00 0.00 C ATOM 86 O ALA A 9 5.511 -27.634 -17.414 1.00 0.00 O ATOM 87 CB ALA A 9 7.667 -28.309 -15.824 1.00 0.00 C ATOM 0 H ALA A 9 7.077 -26.241 -14.569 1.00 0.00 H new ATOM 0 HA ALA A 9 8.547 -26.750 -16.994 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.793 -29.071 -16.593 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.509 -28.348 -15.133 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.742 -28.494 -15.279 1.00 0.00 H new ATOM 93 N SER A 10 6.621 -25.992 -18.480 1.00 0.00 N ATOM 94 CA SER A 10 5.615 -25.840 -19.524 1.00 0.00 C ATOM 95 C SER A 10 6.201 -25.140 -20.747 1.00 0.00 C ATOM 96 O SER A 10 7.094 -24.302 -20.627 1.00 0.00 O ATOM 97 CB SER A 10 4.417 -25.048 -18.995 1.00 0.00 C ATOM 98 OG SER A 10 3.582 -25.864 -18.191 1.00 0.00 O ATOM 0 H SER A 10 7.420 -25.364 -18.570 1.00 0.00 H new ATOM 0 HA SER A 10 5.283 -26.835 -19.821 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.768 -24.196 -18.413 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.844 -24.648 -19.831 1.00 0.00 H new ATOM 0 HG SER A 10 4.072 -26.669 -17.922 1.00 0.00 H new ATOM 104 N GLY A 11 5.692 -25.491 -21.923 1.00 0.00 N ATOM 105 CA GLY A 11 6.176 -24.888 -23.151 1.00 0.00 C ATOM 106 C GLY A 11 5.305 -23.738 -23.616 1.00 0.00 C ATOM 107 O GLY A 11 4.769 -23.765 -24.724 1.00 0.00 O ATOM 0 H GLY A 11 4.953 -26.183 -22.048 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.194 -24.530 -22.999 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.218 -25.647 -23.932 1.00 0.00 H new ATOM 111 N ILE A 12 5.161 -22.726 -22.767 1.00 0.00 N ATOM 112 CA ILE A 12 4.347 -21.563 -23.097 1.00 0.00 C ATOM 113 C ILE A 12 5.217 -20.331 -23.326 1.00 0.00 C ATOM 114 O ILE A 12 6.177 -20.090 -22.593 1.00 0.00 O ATOM 115 CB ILE A 12 3.326 -21.256 -21.985 1.00 0.00 C ATOM 116 CG1 ILE A 12 4.037 -21.091 -20.641 1.00 0.00 C ATOM 117 CG2 ILE A 12 2.282 -22.360 -21.906 1.00 0.00 C ATOM 118 CD1 ILE A 12 3.175 -20.451 -19.575 1.00 0.00 C ATOM 0 H ILE A 12 5.597 -22.688 -21.846 1.00 0.00 H new ATOM 0 HA ILE A 12 3.811 -21.803 -24.015 1.00 0.00 H new ATOM 0 HB ILE A 12 2.820 -20.320 -22.224 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.367 -22.069 -20.291 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.932 -20.486 -20.785 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.567 -22.129 -21.116 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.758 -22.434 -22.859 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.772 -23.309 -21.687 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.744 -20.366 -18.649 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.866 -19.459 -19.904 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.292 -21.067 -19.403 1.00 0.00 H new ATOM 130 N LEU A 13 4.875 -19.554 -24.348 1.00 0.00 N ATOM 131 CA LEU A 13 5.623 -18.345 -24.674 1.00 0.00 C ATOM 132 C LEU A 13 4.680 -17.199 -25.026 1.00 0.00 C ATOM 133 O LEU A 13 3.501 -17.416 -25.308 1.00 0.00 O ATOM 134 CB LEU A 13 6.578 -18.611 -25.839 1.00 0.00 C ATOM 135 CG LEU A 13 7.877 -19.338 -25.489 1.00 0.00 C ATOM 136 CD1 LEU A 13 7.585 -20.746 -24.993 1.00 0.00 C ATOM 137 CD2 LEU A 13 8.807 -19.377 -26.693 1.00 0.00 C ATOM 0 H LEU A 13 4.084 -19.740 -24.965 1.00 0.00 H new ATOM 0 HA LEU A 13 6.202 -18.058 -23.796 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.048 -19.197 -26.590 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.832 -17.656 -26.300 1.00 0.00 H new ATOM 0 HG LEU A 13 8.373 -18.789 -24.689 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.522 -21.247 -24.749 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.958 -20.695 -24.103 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.066 -21.306 -25.771 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.726 -19.898 -26.426 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.318 -19.902 -27.514 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.044 -18.359 -27.003 1.00 0.00 H new ATOM 149 N VAL A 14 5.207 -15.979 -25.010 1.00 0.00 N ATOM 150 CA VAL A 14 4.414 -14.799 -25.331 1.00 0.00 C ATOM 151 C VAL A 14 4.947 -14.101 -26.577 1.00 0.00 C ATOM 152 O VAL A 14 6.124 -13.753 -26.650 1.00 0.00 O ATOM 153 CB VAL A 14 4.399 -13.797 -24.161 1.00 0.00 C ATOM 154 CG1 VAL A 14 3.610 -12.551 -24.535 1.00 0.00 C ATOM 155 CG2 VAL A 14 3.824 -14.447 -22.911 1.00 0.00 C ATOM 0 H VAL A 14 6.181 -15.782 -24.778 1.00 0.00 H new ATOM 0 HA VAL A 14 3.397 -15.143 -25.518 1.00 0.00 H new ATOM 0 HB VAL A 14 5.425 -13.498 -23.948 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.610 -11.855 -23.696 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.070 -12.076 -25.401 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.584 -12.829 -24.776 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.821 -13.725 -22.094 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.804 -14.776 -23.108 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.435 -15.306 -22.634 1.00 0.00 H new ATOM 165 N ASN A 15 4.070 -13.898 -27.555 1.00 0.00 N ATOM 166 CA ASN A 15 4.453 -13.240 -28.800 1.00 0.00 C ATOM 167 C ASN A 15 3.821 -11.856 -28.900 1.00 0.00 C ATOM 168 O ASN A 15 4.507 -10.864 -29.149 1.00 0.00 O ATOM 169 CB ASN A 15 4.035 -14.092 -30.000 1.00 0.00 C ATOM 170 CG ASN A 15 4.941 -15.291 -30.202 1.00 0.00 C ATOM 171 OD1 ASN A 15 6.072 -15.157 -30.669 1.00 0.00 O ATOM 172 ND2 ASN A 15 4.446 -16.472 -29.849 1.00 0.00 N ATOM 0 H ASN A 15 3.091 -14.179 -27.510 1.00 0.00 H new ATOM 0 HA ASN A 15 5.537 -13.126 -28.804 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.010 -14.434 -29.859 1.00 0.00 H new ATOM 0 HB3 ASN A 15 4.045 -13.477 -30.900 1.00 0.00 H new ATOM 0 HD21 ASN A 15 5.009 -17.315 -29.961 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.503 -16.536 -29.466 1.00 0.00 H new ATOM 179 N VAL A 16 2.507 -11.795 -28.703 1.00 0.00 N ATOM 180 CA VAL A 16 1.782 -10.532 -28.769 1.00 0.00 C ATOM 181 C VAL A 16 1.057 -10.245 -27.459 1.00 0.00 C ATOM 182 O VAL A 16 0.928 -11.121 -26.603 1.00 0.00 O ATOM 183 CB VAL A 16 0.759 -10.532 -29.920 1.00 0.00 C ATOM 184 CG1 VAL A 16 1.418 -10.964 -31.221 1.00 0.00 C ATOM 185 CG2 VAL A 16 -0.420 -11.433 -29.584 1.00 0.00 C ATOM 0 H VAL A 16 1.924 -12.606 -28.496 1.00 0.00 H new ATOM 0 HA VAL A 16 2.521 -9.752 -28.950 1.00 0.00 H new ATOM 0 HB VAL A 16 0.385 -9.517 -30.051 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.679 -10.958 -32.023 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.226 -10.274 -31.466 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.822 -11.970 -31.108 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.133 -11.421 -30.408 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.066 -12.452 -29.425 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.907 -11.073 -28.678 1.00 0.00 H new ATOM 195 N LYS A 17 0.584 -9.012 -27.308 1.00 0.00 N ATOM 196 CA LYS A 17 -0.130 -8.609 -26.103 1.00 0.00 C ATOM 197 C LYS A 17 -1.493 -9.291 -26.024 1.00 0.00 C ATOM 198 O LYS A 17 -1.922 -9.949 -26.970 1.00 0.00 O ATOM 199 CB LYS A 17 -0.307 -7.089 -26.075 1.00 0.00 C ATOM 200 CG LYS A 17 -0.993 -6.533 -27.311 1.00 0.00 C ATOM 201 CD LYS A 17 -2.504 -6.644 -27.208 1.00 0.00 C ATOM 202 CE LYS A 17 -3.191 -6.055 -28.430 1.00 0.00 C ATOM 203 NZ LYS A 17 -3.271 -4.570 -28.359 1.00 0.00 N ATOM 0 H LYS A 17 0.683 -8.275 -28.006 1.00 0.00 H new ATOM 0 HA LYS A 17 0.461 -8.916 -25.241 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.887 -6.816 -25.194 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.671 -6.620 -25.971 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.712 -5.488 -27.445 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.647 -7.071 -28.193 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.786 -7.691 -27.100 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.848 -6.127 -26.312 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.647 -6.347 -29.328 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.196 -6.469 -28.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.746 -4.207 -29.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.812 -4.291 -27.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.311 -4.173 -28.302 1.00 0.00 H new ATOM 217 N GLU A 18 -2.166 -9.127 -24.889 1.00 0.00 N ATOM 218 CA GLU A 18 -3.480 -9.728 -24.689 1.00 0.00 C ATOM 219 C GLU A 18 -4.547 -8.979 -25.483 1.00 0.00 C ATOM 220 O GLU A 18 -4.442 -7.773 -25.698 1.00 0.00 O ATOM 221 CB GLU A 18 -3.843 -9.730 -23.202 1.00 0.00 C ATOM 222 CG GLU A 18 -2.822 -10.438 -22.328 1.00 0.00 C ATOM 223 CD GLU A 18 -3.114 -11.918 -22.170 1.00 0.00 C ATOM 224 OE1 GLU A 18 -4.284 -12.267 -21.906 1.00 0.00 O ATOM 225 OE2 GLU A 18 -2.173 -12.726 -22.312 1.00 0.00 O ATOM 0 H GLU A 18 -1.824 -8.584 -24.096 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.440 -10.757 -25.048 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.949 -8.700 -22.861 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.813 -10.210 -23.074 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.829 -10.312 -22.760 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.803 -9.968 -21.345 1.00 0.00 H new ATOM 232 N GLU A 19 -5.573 -9.706 -25.915 1.00 0.00 N ATOM 233 CA GLU A 19 -6.658 -9.111 -26.687 1.00 0.00 C ATOM 234 C GLU A 19 -6.908 -7.670 -26.252 1.00 0.00 C ATOM 235 O GLU A 19 -7.083 -6.780 -27.085 1.00 0.00 O ATOM 236 CB GLU A 19 -7.938 -9.933 -26.525 1.00 0.00 C ATOM 237 CG GLU A 19 -8.338 -10.159 -25.076 1.00 0.00 C ATOM 238 CD GLU A 19 -9.660 -10.890 -24.943 1.00 0.00 C ATOM 239 OE1 GLU A 19 -9.720 -12.080 -25.314 1.00 0.00 O ATOM 240 OE2 GLU A 19 -10.634 -10.270 -24.466 1.00 0.00 O ATOM 0 H GLU A 19 -5.676 -10.706 -25.744 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.365 -9.110 -27.737 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.753 -9.427 -27.043 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.803 -10.899 -27.011 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.559 -10.731 -24.573 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.406 -9.197 -24.568 1.00 0.00 H new ATOM 247 N VAL A 20 -6.923 -7.447 -24.942 1.00 0.00 N ATOM 248 CA VAL A 20 -7.150 -6.114 -24.396 1.00 0.00 C ATOM 249 C VAL A 20 -6.083 -5.751 -23.370 1.00 0.00 C ATOM 250 O VAL A 20 -5.904 -6.448 -22.370 1.00 0.00 O ATOM 251 CB VAL A 20 -8.538 -6.007 -23.737 1.00 0.00 C ATOM 252 CG1 VAL A 20 -8.861 -4.559 -23.404 1.00 0.00 C ATOM 253 CG2 VAL A 20 -9.605 -6.606 -24.641 1.00 0.00 C ATOM 0 H VAL A 20 -6.781 -8.172 -24.239 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.098 -5.416 -25.232 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.523 -6.574 -22.806 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.845 -4.503 -22.939 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.112 -4.168 -22.715 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.858 -3.966 -24.318 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.579 -6.522 -24.159 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.621 -6.069 -25.590 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.380 -7.657 -24.823 1.00 0.00 H new ATOM 263 N THR A 21 -5.375 -4.655 -23.623 1.00 0.00 N ATOM 264 CA THR A 21 -4.324 -4.199 -22.722 1.00 0.00 C ATOM 265 C THR A 21 -4.647 -2.822 -22.153 1.00 0.00 C ATOM 266 O THR A 21 -5.247 -1.985 -22.828 1.00 0.00 O ATOM 267 CB THR A 21 -2.959 -4.141 -23.434 1.00 0.00 C ATOM 268 OG1 THR A 21 -2.679 -5.398 -24.058 1.00 0.00 O ATOM 269 CG2 THR A 21 -1.850 -3.799 -22.451 1.00 0.00 C ATOM 0 H THR A 21 -5.510 -4.066 -24.445 1.00 0.00 H new ATOM 0 HA THR A 21 -4.270 -4.922 -21.908 1.00 0.00 H new ATOM 0 HB THR A 21 -3.003 -3.360 -24.193 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.065 -5.913 -23.494 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.896 -3.764 -22.977 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.051 -2.828 -21.999 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.807 -4.560 -21.672 1.00 0.00 H new ATOM 277 N CYS A 22 -4.245 -2.592 -20.908 1.00 0.00 N ATOM 278 CA CYS A 22 -4.491 -1.316 -20.247 1.00 0.00 C ATOM 279 C CYS A 22 -3.509 -0.253 -20.734 1.00 0.00 C ATOM 280 O CYS A 22 -2.292 -0.434 -20.698 1.00 0.00 O ATOM 281 CB CYS A 22 -4.378 -1.473 -18.730 1.00 0.00 C ATOM 282 SG CYS A 22 -4.700 0.059 -17.798 1.00 0.00 S ATOM 0 H CYS A 22 -3.747 -3.274 -20.336 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.502 -0.995 -20.498 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.080 -2.240 -18.402 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.378 -1.831 -18.486 1.00 0.00 H new ATOM 287 N PRO A 23 -4.050 0.882 -21.201 1.00 0.00 N ATOM 288 CA PRO A 23 -3.241 1.996 -21.703 1.00 0.00 C ATOM 289 C PRO A 23 -2.474 2.703 -20.591 1.00 0.00 C ATOM 290 O PRO A 23 -1.737 3.657 -20.842 1.00 0.00 O ATOM 291 CB PRO A 23 -4.278 2.938 -22.320 1.00 0.00 C ATOM 292 CG PRO A 23 -5.544 2.633 -21.597 1.00 0.00 C ATOM 293 CD PRO A 23 -5.493 1.166 -21.274 1.00 0.00 C ATOM 0 HA PRO A 23 -2.478 1.661 -22.406 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -3.991 3.982 -22.192 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.382 2.765 -23.391 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.628 3.230 -20.689 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.412 2.867 -22.214 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.994 0.944 -20.332 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.982 0.568 -22.043 1.00 0.00 H new ATOM 301 N ILE A 24 -2.652 2.230 -19.363 1.00 0.00 N ATOM 302 CA ILE A 24 -1.975 2.816 -18.213 1.00 0.00 C ATOM 303 C ILE A 24 -0.834 1.926 -17.733 1.00 0.00 C ATOM 304 O ILE A 24 0.340 2.239 -17.933 1.00 0.00 O ATOM 305 CB ILE A 24 -2.951 3.054 -17.046 1.00 0.00 C ATOM 306 CG1 ILE A 24 -3.893 4.216 -17.369 1.00 0.00 C ATOM 307 CG2 ILE A 24 -2.184 3.329 -15.761 1.00 0.00 C ATOM 308 CD1 ILE A 24 -5.214 4.146 -16.634 1.00 0.00 C ATOM 0 H ILE A 24 -3.260 1.442 -19.138 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.572 3.774 -18.540 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.549 2.154 -16.903 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.398 5.155 -17.120 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.084 4.231 -18.442 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.888 3.495 -14.946 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.551 2.474 -15.525 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.563 4.215 -15.891 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.830 5.001 -16.911 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.731 3.224 -16.901 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.034 4.162 -15.559 1.00 0.00 H new ATOM 320 N CYS A 25 -1.187 0.811 -17.100 1.00 0.00 N ATOM 321 CA CYS A 25 -0.194 -0.127 -16.593 1.00 0.00 C ATOM 322 C CYS A 25 0.419 -0.939 -17.730 1.00 0.00 C ATOM 323 O CYS A 25 1.489 -1.531 -17.579 1.00 0.00 O ATOM 324 CB CYS A 25 -0.828 -1.067 -15.565 1.00 0.00 C ATOM 325 SG CYS A 25 -2.268 -1.991 -16.192 1.00 0.00 S ATOM 0 H CYS A 25 -2.154 0.536 -16.927 1.00 0.00 H new ATOM 0 HA CYS A 25 0.598 0.447 -16.112 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.074 -1.777 -15.224 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.134 -0.485 -14.696 1.00 0.00 H new ATOM 330 N LEU A 26 -0.264 -0.961 -18.869 1.00 0.00 N ATOM 331 CA LEU A 26 0.212 -1.699 -20.033 1.00 0.00 C ATOM 332 C LEU A 26 0.546 -3.141 -19.665 1.00 0.00 C ATOM 333 O LEU A 26 1.527 -3.704 -20.149 1.00 0.00 O ATOM 334 CB LEU A 26 1.445 -1.014 -20.627 1.00 0.00 C ATOM 335 CG LEU A 26 1.360 0.505 -20.779 1.00 0.00 C ATOM 336 CD1 LEU A 26 2.705 1.075 -21.202 1.00 0.00 C ATOM 337 CD2 LEU A 26 0.280 0.881 -21.783 1.00 0.00 C ATOM 0 H LEU A 26 -1.150 -0.476 -19.011 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.585 -1.708 -20.777 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.304 -1.249 -19.999 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.639 -1.447 -21.608 1.00 0.00 H new ATOM 0 HG LEU A 26 1.095 0.933 -19.812 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.625 2.157 -21.305 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.455 0.837 -20.448 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.000 0.640 -22.157 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.234 1.966 -21.878 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.515 0.441 -22.752 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.684 0.506 -21.439 1.00 0.00 H new ATOM 349 N GLU A 27 -0.279 -3.733 -18.807 1.00 0.00 N ATOM 350 CA GLU A 27 -0.071 -5.110 -18.376 1.00 0.00 C ATOM 351 C GLU A 27 -1.104 -6.040 -19.007 1.00 0.00 C ATOM 352 O GLU A 27 -0.777 -6.853 -19.873 1.00 0.00 O ATOM 353 CB GLU A 27 -0.147 -5.207 -16.850 1.00 0.00 C ATOM 354 CG GLU A 27 1.068 -4.632 -16.143 1.00 0.00 C ATOM 355 CD GLU A 27 2.153 -5.666 -15.912 1.00 0.00 C ATOM 356 OE1 GLU A 27 1.918 -6.604 -15.120 1.00 0.00 O ATOM 357 OE2 GLU A 27 3.235 -5.538 -16.521 1.00 0.00 O ATOM 0 H GLU A 27 -1.096 -3.281 -18.397 1.00 0.00 H new ATOM 0 HA GLU A 27 0.921 -5.420 -18.704 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.039 -4.684 -16.505 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.261 -6.253 -16.566 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.474 -3.812 -16.735 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.761 -4.213 -15.185 1.00 0.00 H new ATOM 364 N LEU A 28 -2.351 -5.915 -18.567 1.00 0.00 N ATOM 365 CA LEU A 28 -3.433 -6.743 -19.088 1.00 0.00 C ATOM 366 C LEU A 28 -4.788 -6.238 -18.603 1.00 0.00 C ATOM 367 O LEU A 28 -4.911 -5.735 -17.486 1.00 0.00 O ATOM 368 CB LEU A 28 -3.236 -8.200 -18.663 1.00 0.00 C ATOM 369 CG LEU A 28 -4.454 -9.112 -18.810 1.00 0.00 C ATOM 370 CD1 LEU A 28 -4.930 -9.139 -20.255 1.00 0.00 C ATOM 371 CD2 LEU A 28 -4.129 -10.518 -18.328 1.00 0.00 C ATOM 0 H LEU A 28 -2.638 -5.248 -17.851 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.413 -6.682 -20.176 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.419 -8.621 -19.249 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.920 -8.214 -17.620 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.258 -8.714 -18.191 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.798 -9.793 -20.340 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.204 -8.131 -20.567 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.130 -9.512 -20.895 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.008 -11.153 -18.440 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.309 -10.925 -18.920 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.837 -10.484 -17.278 1.00 0.00 H new ATOM 383 N LEU A 29 -5.803 -6.378 -19.449 1.00 0.00 N ATOM 384 CA LEU A 29 -7.150 -5.938 -19.105 1.00 0.00 C ATOM 385 C LEU A 29 -8.145 -7.088 -19.221 1.00 0.00 C ATOM 386 O LEU A 29 -8.600 -7.423 -20.316 1.00 0.00 O ATOM 387 CB LEU A 29 -7.579 -4.785 -20.015 1.00 0.00 C ATOM 388 CG LEU A 29 -7.148 -3.386 -19.573 1.00 0.00 C ATOM 389 CD1 LEU A 29 -7.902 -2.323 -20.357 1.00 0.00 C ATOM 390 CD2 LEU A 29 -7.370 -3.206 -18.078 1.00 0.00 C ATOM 0 H LEU A 29 -5.719 -6.792 -20.377 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.140 -5.593 -18.071 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.180 -4.968 -21.013 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.666 -4.799 -20.099 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.083 -3.273 -19.778 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.582 -1.334 -20.029 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.692 -2.438 -21.420 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.972 -2.434 -20.184 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.058 -2.205 -17.782 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.427 -3.339 -17.849 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.784 -3.945 -17.532 1.00 0.00 H new ATOM 402 N THR A 30 -8.480 -7.691 -18.084 1.00 0.00 N ATOM 403 CA THR A 30 -9.422 -8.803 -18.058 1.00 0.00 C ATOM 404 C THR A 30 -10.833 -8.321 -17.743 1.00 0.00 C ATOM 405 O THR A 30 -11.790 -8.686 -18.426 1.00 0.00 O ATOM 406 CB THR A 30 -9.010 -9.863 -17.019 1.00 0.00 C ATOM 407 OG1 THR A 30 -9.906 -10.978 -17.074 1.00 0.00 O ATOM 408 CG2 THR A 30 -9.010 -9.275 -15.616 1.00 0.00 C ATOM 0 H THR A 30 -8.113 -7.428 -17.170 1.00 0.00 H new ATOM 0 HA THR A 30 -9.408 -9.253 -19.051 1.00 0.00 H new ATOM 0 HB THR A 30 -8.000 -10.197 -17.256 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.636 -11.648 -16.411 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.716 -10.042 -14.900 1.00 0.00 H new ATOM 0 HG22 THR A 30 -8.304 -8.445 -15.569 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.010 -8.915 -15.372 1.00 0.00 H new ATOM 416 N GLN A 31 -10.955 -7.499 -16.705 1.00 0.00 N ATOM 417 CA GLN A 31 -12.252 -6.968 -16.301 1.00 0.00 C ATOM 418 C GLN A 31 -12.203 -5.448 -16.179 1.00 0.00 C ATOM 419 O GLN A 31 -12.508 -4.875 -15.133 1.00 0.00 O ATOM 420 CB GLN A 31 -12.686 -7.584 -14.970 1.00 0.00 C ATOM 421 CG GLN A 31 -13.439 -8.896 -15.124 1.00 0.00 C ATOM 422 CD GLN A 31 -14.075 -9.360 -13.829 1.00 0.00 C ATOM 423 OE1 GLN A 31 -13.679 -10.377 -13.258 1.00 0.00 O ATOM 424 NE2 GLN A 31 -15.068 -8.615 -13.357 1.00 0.00 N ATOM 0 H GLN A 31 -10.173 -7.187 -16.129 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.980 -7.230 -17.069 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.804 -7.751 -14.352 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.318 -6.872 -14.438 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -14.213 -8.779 -15.883 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.754 -9.664 -15.483 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -15.364 -7.780 -13.863 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -15.535 -8.878 -12.489 1.00 0.00 H new ATOM 433 N PRO A 32 -11.810 -4.779 -17.273 1.00 0.00 N ATOM 434 CA PRO A 32 -11.712 -3.317 -17.313 1.00 0.00 C ATOM 435 C PRO A 32 -13.079 -2.643 -17.272 1.00 0.00 C ATOM 436 O PRO A 32 -14.113 -3.311 -17.305 1.00 0.00 O ATOM 437 CB PRO A 32 -11.021 -3.045 -18.652 1.00 0.00 C ATOM 438 CG PRO A 32 -11.350 -4.228 -19.495 1.00 0.00 C ATOM 439 CD PRO A 32 -11.431 -5.398 -18.554 1.00 0.00 C ATOM 0 HA PRO A 32 -11.174 -2.920 -16.452 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.385 -2.123 -19.105 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.944 -2.935 -18.527 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -12.295 -4.083 -20.019 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.585 -4.391 -20.255 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.171 -6.128 -18.882 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -10.478 -5.922 -18.481 1.00 0.00 H new ATOM 447 N LEU A 33 -13.078 -1.317 -17.202 1.00 0.00 N ATOM 448 CA LEU A 33 -14.319 -0.551 -17.157 1.00 0.00 C ATOM 449 C LEU A 33 -14.624 0.072 -18.516 1.00 0.00 C ATOM 450 O LEU A 33 -13.783 0.067 -19.414 1.00 0.00 O ATOM 451 CB LEU A 33 -14.230 0.541 -16.090 1.00 0.00 C ATOM 452 CG LEU A 33 -13.724 0.099 -14.717 1.00 0.00 C ATOM 453 CD1 LEU A 33 -13.792 1.251 -13.726 1.00 0.00 C ATOM 454 CD2 LEU A 33 -14.526 -1.091 -14.211 1.00 0.00 C ATOM 0 H LEU A 33 -12.231 -0.749 -17.175 1.00 0.00 H new ATOM 0 HA LEU A 33 -15.129 -1.234 -16.901 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -13.575 1.330 -16.460 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -15.219 0.981 -15.966 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.682 -0.206 -14.816 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -13.428 0.917 -12.754 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.173 2.074 -14.082 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -14.824 1.588 -13.630 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -14.152 -1.392 -13.232 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -15.577 -0.813 -14.128 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.425 -1.922 -14.910 1.00 0.00 H new ATOM 466 N SER A 34 -15.832 0.609 -18.657 1.00 0.00 N ATOM 467 CA SER A 34 -16.248 1.235 -19.907 1.00 0.00 C ATOM 468 C SER A 34 -16.503 2.726 -19.708 1.00 0.00 C ATOM 469 O SER A 34 -16.757 3.182 -18.593 1.00 0.00 O ATOM 470 CB SER A 34 -17.510 0.557 -20.445 1.00 0.00 C ATOM 471 OG SER A 34 -17.997 1.228 -21.595 1.00 0.00 O ATOM 0 H SER A 34 -16.539 0.623 -17.922 1.00 0.00 H new ATOM 0 HA SER A 34 -15.443 1.115 -20.632 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.292 -0.482 -20.691 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.279 0.547 -19.673 1.00 0.00 H new ATOM 0 HG SER A 34 -18.803 0.775 -21.921 1.00 0.00 H new ATOM 477 N LEU A 35 -16.434 3.481 -20.799 1.00 0.00 N ATOM 478 CA LEU A 35 -16.657 4.922 -20.747 1.00 0.00 C ATOM 479 C LEU A 35 -17.456 5.393 -21.958 1.00 0.00 C ATOM 480 O LEU A 35 -17.744 4.613 -22.866 1.00 0.00 O ATOM 481 CB LEU A 35 -15.321 5.663 -20.684 1.00 0.00 C ATOM 482 CG LEU A 35 -14.352 5.208 -19.592 1.00 0.00 C ATOM 483 CD1 LEU A 35 -12.953 5.737 -19.865 1.00 0.00 C ATOM 484 CD2 LEU A 35 -14.839 5.664 -18.224 1.00 0.00 C ATOM 0 H LEU A 35 -16.226 3.120 -21.730 1.00 0.00 H new ATOM 0 HA LEU A 35 -17.231 5.144 -19.847 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -14.825 5.559 -21.649 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -15.523 6.725 -20.543 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.313 4.119 -19.598 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.278 5.403 -19.077 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.603 5.361 -20.827 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.974 6.827 -19.887 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.138 5.332 -17.459 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -14.907 6.752 -18.206 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -15.822 5.236 -18.026 1.00 0.00 H new ATOM 496 N ASP A 36 -17.809 6.674 -21.966 1.00 0.00 N ATOM 497 CA ASP A 36 -18.572 7.250 -23.067 1.00 0.00 C ATOM 498 C ASP A 36 -17.641 7.796 -24.145 1.00 0.00 C ATOM 499 O ASP A 36 -18.046 8.610 -24.976 1.00 0.00 O ATOM 500 CB ASP A 36 -19.487 8.363 -22.554 1.00 0.00 C ATOM 501 CG ASP A 36 -18.711 9.542 -22.000 1.00 0.00 C ATOM 502 OD1 ASP A 36 -18.124 9.403 -20.906 1.00 0.00 O ATOM 503 OD2 ASP A 36 -18.691 10.602 -22.659 1.00 0.00 O ATOM 0 H ASP A 36 -17.579 7.333 -21.222 1.00 0.00 H new ATOM 0 HA ASP A 36 -19.183 6.461 -23.505 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -20.130 8.704 -23.366 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -20.139 7.964 -21.777 1.00 0.00 H new ATOM 508 N CYS A 37 -16.391 7.345 -24.125 1.00 0.00 N ATOM 509 CA CYS A 37 -15.402 7.789 -25.099 1.00 0.00 C ATOM 510 C CYS A 37 -14.983 6.640 -26.011 1.00 0.00 C ATOM 511 O CYS A 37 -14.763 6.831 -27.207 1.00 0.00 O ATOM 512 CB CYS A 37 -14.175 8.362 -24.386 1.00 0.00 C ATOM 513 SG CYS A 37 -13.093 7.101 -23.639 1.00 0.00 S ATOM 0 H CYS A 37 -16.039 6.672 -23.444 1.00 0.00 H new ATOM 0 HA CYS A 37 -15.856 8.569 -25.711 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -13.594 8.948 -25.099 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -14.508 9.047 -23.607 1.00 0.00 H new ATOM 518 N GLY A 38 -14.876 5.445 -25.438 1.00 0.00 N ATOM 519 CA GLY A 38 -14.484 4.282 -26.213 1.00 0.00 C ATOM 520 C GLY A 38 -13.122 3.751 -25.813 1.00 0.00 C ATOM 521 O GLY A 38 -12.308 3.402 -26.669 1.00 0.00 O ATOM 0 H GLY A 38 -15.054 5.261 -24.451 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.229 3.496 -26.085 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.473 4.542 -27.272 1.00 0.00 H new ATOM 525 N HIS A 39 -12.872 3.690 -24.509 1.00 0.00 N ATOM 526 CA HIS A 39 -11.597 3.198 -23.997 1.00 0.00 C ATOM 527 C HIS A 39 -11.785 2.499 -22.654 1.00 0.00 C ATOM 528 O HIS A 39 -12.490 2.998 -21.777 1.00 0.00 O ATOM 529 CB HIS A 39 -10.603 4.351 -23.851 1.00 0.00 C ATOM 530 CG HIS A 39 -10.205 4.968 -25.156 1.00 0.00 C ATOM 531 ND1 HIS A 39 -10.375 6.307 -25.439 1.00 0.00 N ATOM 532 CD2 HIS A 39 -9.641 4.421 -26.258 1.00 0.00 C ATOM 533 CE1 HIS A 39 -9.934 6.556 -26.658 1.00 0.00 C ATOM 534 NE2 HIS A 39 -9.482 5.429 -27.177 1.00 0.00 N ATOM 0 H HIS A 39 -13.535 3.975 -23.788 1.00 0.00 H new ATOM 0 HA HIS A 39 -11.201 2.475 -24.710 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -11.041 5.119 -23.214 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.710 3.988 -23.343 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.367 3.385 -26.390 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.942 7.518 -27.148 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.080 5.324 -28.109 1.00 0.00 H new ATOM 542 N SER A 40 -11.150 1.341 -22.501 1.00 0.00 N ATOM 543 CA SER A 40 -11.251 0.571 -21.267 1.00 0.00 C ATOM 544 C SER A 40 -10.029 0.800 -20.383 1.00 0.00 C ATOM 545 O SER A 40 -8.954 1.153 -20.868 1.00 0.00 O ATOM 546 CB SER A 40 -11.395 -0.919 -21.581 1.00 0.00 C ATOM 547 OG SER A 40 -12.010 -1.117 -22.842 1.00 0.00 O ATOM 0 H SER A 40 -10.560 0.916 -23.216 1.00 0.00 H new ATOM 0 HA SER A 40 -12.136 0.909 -20.728 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.413 -1.392 -21.573 1.00 0.00 H new ATOM 0 HB3 SER A 40 -11.987 -1.402 -20.804 1.00 0.00 H new ATOM 0 HG SER A 40 -12.089 -2.077 -23.020 1.00 0.00 H new ATOM 553 N PHE A 41 -10.202 0.596 -19.081 1.00 0.00 N ATOM 554 CA PHE A 41 -9.115 0.781 -18.127 1.00 0.00 C ATOM 555 C PHE A 41 -9.323 -0.087 -16.890 1.00 0.00 C ATOM 556 O PHE A 41 -10.311 -0.815 -16.787 1.00 0.00 O ATOM 557 CB PHE A 41 -9.010 2.252 -17.719 1.00 0.00 C ATOM 558 CG PHE A 41 -8.846 3.187 -18.884 1.00 0.00 C ATOM 559 CD1 PHE A 41 -9.937 3.545 -19.660 1.00 0.00 C ATOM 560 CD2 PHE A 41 -7.602 3.707 -19.203 1.00 0.00 C ATOM 561 CE1 PHE A 41 -9.789 4.404 -20.732 1.00 0.00 C ATOM 562 CE2 PHE A 41 -7.448 4.566 -20.274 1.00 0.00 C ATOM 563 CZ PHE A 41 -8.543 4.916 -21.039 1.00 0.00 C ATOM 0 H PHE A 41 -11.085 0.303 -18.663 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.186 0.478 -18.610 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.905 2.531 -17.162 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.163 2.374 -17.043 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -10.913 3.148 -19.424 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -6.742 3.438 -18.607 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -10.647 4.675 -21.330 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -6.472 4.963 -20.513 1.00 0.00 H new ATOM 0 HZ PHE A 41 -8.426 5.589 -21.876 1.00 0.00 H new ATOM 573 N CYS A 42 -8.385 -0.006 -15.952 1.00 0.00 N ATOM 574 CA CYS A 42 -8.464 -0.783 -14.722 1.00 0.00 C ATOM 575 C CYS A 42 -9.209 -0.012 -13.637 1.00 0.00 C ATOM 576 O CYS A 42 -8.991 1.185 -13.452 1.00 0.00 O ATOM 577 CB CYS A 42 -7.060 -1.145 -14.232 1.00 0.00 C ATOM 578 SG CYS A 42 -6.099 -2.152 -15.408 1.00 0.00 S ATOM 0 H CYS A 42 -7.561 0.591 -16.021 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.015 -1.699 -14.936 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.511 -0.226 -14.024 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -7.144 -1.687 -13.290 1.00 0.00 H new ATOM 583 N GLN A 43 -10.089 -0.707 -12.922 1.00 0.00 N ATOM 584 CA GLN A 43 -10.867 -0.087 -11.856 1.00 0.00 C ATOM 585 C GLN A 43 -9.964 0.693 -10.906 1.00 0.00 C ATOM 586 O GLN A 43 -10.411 1.615 -10.225 1.00 0.00 O ATOM 587 CB GLN A 43 -11.646 -1.150 -11.081 1.00 0.00 C ATOM 588 CG GLN A 43 -12.327 -0.614 -9.832 1.00 0.00 C ATOM 589 CD GLN A 43 -13.607 0.138 -10.141 1.00 0.00 C ATOM 590 OE1 GLN A 43 -14.686 -0.452 -10.212 1.00 0.00 O ATOM 591 NE2 GLN A 43 -13.494 1.447 -10.328 1.00 0.00 N ATOM 0 H GLN A 43 -10.281 -1.699 -13.062 1.00 0.00 H new ATOM 0 HA GLN A 43 -11.571 0.609 -12.312 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -12.399 -1.587 -11.737 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.966 -1.953 -10.798 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -12.550 -1.443 -9.161 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.640 0.047 -9.304 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.580 1.895 -10.260 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -14.321 2.005 -10.540 1.00 0.00 H new ATOM 600 N ALA A 44 -8.690 0.315 -10.865 1.00 0.00 N ATOM 601 CA ALA A 44 -7.724 0.980 -10.000 1.00 0.00 C ATOM 602 C ALA A 44 -6.986 2.085 -10.748 1.00 0.00 C ATOM 603 O ALA A 44 -6.951 3.233 -10.305 1.00 0.00 O ATOM 604 CB ALA A 44 -6.735 -0.031 -9.438 1.00 0.00 C ATOM 0 H ALA A 44 -8.304 -0.448 -11.421 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.268 1.438 -9.174 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.019 0.480 -8.794 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.272 -0.783 -8.860 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.204 -0.515 -10.258 1.00 0.00 H new ATOM 610 N CYS A 45 -6.395 1.731 -11.884 1.00 0.00 N ATOM 611 CA CYS A 45 -5.656 2.692 -12.694 1.00 0.00 C ATOM 612 C CYS A 45 -6.472 3.963 -12.911 1.00 0.00 C ATOM 613 O CYS A 45 -5.952 5.074 -12.802 1.00 0.00 O ATOM 614 CB CYS A 45 -5.285 2.074 -14.044 1.00 0.00 C ATOM 615 SG CYS A 45 -4.095 0.699 -13.931 1.00 0.00 S ATOM 0 H CYS A 45 -6.413 0.785 -12.265 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.744 2.955 -12.159 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.193 1.716 -14.529 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.867 2.851 -14.684 1.00 0.00 H new ATOM 620 N LEU A 46 -7.753 3.791 -13.218 1.00 0.00 N ATOM 621 CA LEU A 46 -8.643 4.923 -13.450 1.00 0.00 C ATOM 622 C LEU A 46 -8.712 5.822 -12.220 1.00 0.00 C ATOM 623 O LEU A 46 -8.708 7.049 -12.332 1.00 0.00 O ATOM 624 CB LEU A 46 -10.044 4.430 -13.814 1.00 0.00 C ATOM 625 CG LEU A 46 -10.333 4.271 -15.307 1.00 0.00 C ATOM 626 CD1 LEU A 46 -11.468 3.283 -15.530 1.00 0.00 C ATOM 627 CD2 LEU A 46 -10.666 5.618 -15.932 1.00 0.00 C ATOM 0 H LEU A 46 -8.199 2.878 -13.312 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.242 5.504 -14.280 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.206 3.468 -13.329 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.772 5.125 -13.395 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.438 3.879 -15.790 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.659 3.183 -16.599 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.191 2.312 -15.119 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.368 3.645 -15.033 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.869 5.486 -16.995 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.546 6.038 -15.444 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.822 6.296 -15.805 1.00 0.00 H new ATOM 639 N THR A 47 -8.772 5.205 -11.044 1.00 0.00 N ATOM 640 CA THR A 47 -8.841 5.949 -9.793 1.00 0.00 C ATOM 641 C THR A 47 -7.592 6.800 -9.590 1.00 0.00 C ATOM 642 O THR A 47 -7.677 7.949 -9.158 1.00 0.00 O ATOM 643 CB THR A 47 -9.006 5.005 -8.587 1.00 0.00 C ATOM 644 OG1 THR A 47 -10.304 4.402 -8.610 1.00 0.00 O ATOM 645 CG2 THR A 47 -8.815 5.759 -7.279 1.00 0.00 C ATOM 0 H THR A 47 -8.774 4.191 -10.932 1.00 0.00 H new ATOM 0 HA THR A 47 -9.714 6.599 -9.859 1.00 0.00 H new ATOM 0 HB THR A 47 -8.244 4.229 -8.655 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.263 3.556 -9.102 1.00 0.00 H new ATOM 0 HG21 THR A 47 -8.936 5.072 -6.442 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.815 6.192 -7.251 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.557 6.554 -7.206 1.00 0.00 H new ATOM 653 N ALA A 48 -6.435 6.229 -9.905 1.00 0.00 N ATOM 654 CA ALA A 48 -5.169 6.937 -9.761 1.00 0.00 C ATOM 655 C ALA A 48 -4.967 7.939 -10.893 1.00 0.00 C ATOM 656 O ALA A 48 -4.255 8.929 -10.738 1.00 0.00 O ATOM 657 CB ALA A 48 -4.013 5.948 -9.716 1.00 0.00 C ATOM 0 H ALA A 48 -6.348 5.277 -10.262 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.196 7.491 -8.822 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.074 6.491 -9.608 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.143 5.275 -8.868 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.994 5.369 -10.639 1.00 0.00 H new ATOM 663 N ASN A 49 -5.599 7.673 -12.031 1.00 0.00 N ATOM 664 CA ASN A 49 -5.488 8.551 -13.190 1.00 0.00 C ATOM 665 C ASN A 49 -6.387 9.774 -13.034 1.00 0.00 C ATOM 666 O ASN A 49 -5.982 10.898 -13.336 1.00 0.00 O ATOM 667 CB ASN A 49 -5.857 7.794 -14.467 1.00 0.00 C ATOM 668 CG ASN A 49 -5.534 8.583 -15.721 1.00 0.00 C ATOM 669 OD1 ASN A 49 -4.442 8.468 -16.277 1.00 0.00 O ATOM 670 ND2 ASN A 49 -6.486 9.391 -16.173 1.00 0.00 N ATOM 0 H ASN A 49 -6.193 6.857 -12.176 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.454 8.888 -13.261 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.322 6.845 -14.491 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.921 7.560 -14.453 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.326 9.947 -17.013 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.377 9.455 -15.680 1.00 0.00 H new ATOM 677 N HIS A 50 -7.608 9.548 -12.559 1.00 0.00 N ATOM 678 CA HIS A 50 -8.563 10.632 -12.362 1.00 0.00 C ATOM 679 C HIS A 50 -8.113 11.555 -11.233 1.00 0.00 C ATOM 680 O HIS A 50 -8.137 12.778 -11.370 1.00 0.00 O ATOM 681 CB HIS A 50 -9.950 10.067 -12.051 1.00 0.00 C ATOM 682 CG HIS A 50 -10.637 9.476 -13.243 1.00 0.00 C ATOM 683 ND1 HIS A 50 -10.392 9.618 -14.567 1.00 0.00 N flip ATOM 684 CD2 HIS A 50 -11.717 8.624 -13.144 1.00 0.00 C flip ATOM 685 CE1 HIS A 50 -11.319 8.857 -15.236 1.00 0.00 C flip ATOM 686 NE2 HIS A 50 -12.106 8.267 -14.355 1.00 0.00 N flip ATOM 0 H HIS A 50 -7.959 8.625 -12.304 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.612 11.212 -13.284 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -9.857 9.303 -11.279 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.573 10.861 -11.640 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -12.173 8.299 -12.221 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -11.392 8.757 -16.309 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -12.882 7.642 -14.572 1.00 0.00 H new ATOM 694 N LYS A 51 -7.701 10.961 -10.118 1.00 0.00 N ATOM 695 CA LYS A 51 -7.244 11.729 -8.966 1.00 0.00 C ATOM 696 C LYS A 51 -6.053 12.608 -9.335 1.00 0.00 C ATOM 697 O LYS A 51 -5.836 13.661 -8.736 1.00 0.00 O ATOM 698 CB LYS A 51 -6.862 10.789 -7.820 1.00 0.00 C ATOM 699 CG LYS A 51 -5.542 10.069 -8.039 1.00 0.00 C ATOM 700 CD LYS A 51 -5.176 9.202 -6.846 1.00 0.00 C ATOM 701 CE LYS A 51 -3.756 8.668 -6.960 1.00 0.00 C ATOM 702 NZ LYS A 51 -2.760 9.616 -6.389 1.00 0.00 N ATOM 0 H LYS A 51 -7.674 9.950 -9.988 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.062 12.373 -8.643 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.805 11.362 -6.895 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.652 10.050 -7.689 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.608 9.450 -8.934 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.753 10.800 -8.215 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.275 9.783 -5.929 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.875 8.369 -6.773 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.685 7.711 -6.443 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.521 8.482 -8.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.805 9.216 -6.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.810 10.521 -6.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.969 9.774 -5.383 1.00 0.00 H new ATOM 716 N LYS A 52 -5.285 12.169 -10.327 1.00 0.00 N ATOM 717 CA LYS A 52 -4.118 12.917 -10.779 1.00 0.00 C ATOM 718 C LYS A 52 -4.516 14.306 -11.266 1.00 0.00 C ATOM 719 O LYS A 52 -4.175 15.313 -10.646 1.00 0.00 O ATOM 720 CB LYS A 52 -3.402 12.157 -11.898 1.00 0.00 C ATOM 721 CG LYS A 52 -1.890 12.291 -11.854 1.00 0.00 C ATOM 722 CD LYS A 52 -1.450 13.725 -12.096 1.00 0.00 C ATOM 723 CE LYS A 52 -1.171 14.450 -10.788 1.00 0.00 C ATOM 724 NZ LYS A 52 -0.377 15.692 -11.001 1.00 0.00 N ATOM 0 H LYS A 52 -5.450 11.299 -10.833 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.440 13.030 -9.933 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.667 11.101 -11.836 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.763 12.520 -12.861 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.522 11.955 -10.884 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.444 11.641 -12.607 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.553 13.732 -12.716 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.224 14.256 -12.650 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.115 14.701 -10.303 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.632 13.786 -10.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.150 16.121 -10.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.504 15.459 -11.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.930 16.365 -11.569 1.00 0.00 H new ATOM 738 N SER A 53 -5.241 14.352 -12.379 1.00 0.00 N ATOM 739 CA SER A 53 -5.685 15.618 -12.951 1.00 0.00 C ATOM 740 C SER A 53 -6.285 16.519 -11.876 1.00 0.00 C ATOM 741 O SER A 53 -6.300 17.742 -12.013 1.00 0.00 O ATOM 742 CB SER A 53 -6.712 15.371 -14.057 1.00 0.00 C ATOM 743 OG SER A 53 -7.406 16.562 -14.385 1.00 0.00 O ATOM 0 H SER A 53 -5.534 13.527 -12.903 1.00 0.00 H new ATOM 0 HA SER A 53 -4.816 16.119 -13.378 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.210 14.983 -14.943 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.422 14.610 -13.734 1.00 0.00 H new ATOM 0 HG SER A 53 -7.530 16.612 -15.356 1.00 0.00 H new ATOM 749 N MET A 54 -6.780 15.904 -10.806 1.00 0.00 N ATOM 750 CA MET A 54 -7.381 16.650 -9.706 1.00 0.00 C ATOM 751 C MET A 54 -6.457 17.771 -9.241 1.00 0.00 C ATOM 752 O MET A 54 -6.916 18.845 -8.849 1.00 0.00 O ATOM 753 CB MET A 54 -7.694 15.713 -8.538 1.00 0.00 C ATOM 754 CG MET A 54 -8.795 16.228 -7.625 1.00 0.00 C ATOM 755 SD MET A 54 -10.316 16.606 -8.515 1.00 0.00 S ATOM 756 CE MET A 54 -10.791 14.974 -9.081 1.00 0.00 C ATOM 0 H MET A 54 -6.777 14.892 -10.678 1.00 0.00 H new ATOM 0 HA MET A 54 -8.309 17.094 -10.065 1.00 0.00 H new ATOM 0 HB2 MET A 54 -7.985 14.739 -8.932 1.00 0.00 H new ATOM 0 HB3 MET A 54 -6.788 15.561 -7.951 1.00 0.00 H new ATOM 0 HG2 MET A 54 -9.004 15.482 -6.858 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.447 17.124 -7.112 1.00 0.00 H new ATOM 0 HE1 MET A 54 -11.818 15.000 -9.445 1.00 0.00 H new ATOM 0 HE2 MET A 54 -10.128 14.662 -9.888 1.00 0.00 H new ATOM 0 HE3 MET A 54 -10.716 14.266 -8.255 1.00 0.00 H new ATOM 766 N LEU A 55 -5.154 17.515 -9.286 1.00 0.00 N ATOM 767 CA LEU A 55 -4.165 18.503 -8.868 1.00 0.00 C ATOM 768 C LEU A 55 -3.851 19.472 -10.003 1.00 0.00 C ATOM 769 O LEU A 55 -3.667 20.669 -9.779 1.00 0.00 O ATOM 770 CB LEU A 55 -2.884 17.808 -8.407 1.00 0.00 C ATOM 771 CG LEU A 55 -2.952 17.105 -7.050 1.00 0.00 C ATOM 772 CD1 LEU A 55 -3.219 18.112 -5.941 1.00 0.00 C ATOM 773 CD2 LEU A 55 -4.024 16.026 -7.062 1.00 0.00 C ATOM 0 H LEU A 55 -4.758 16.632 -9.608 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.583 19.070 -8.036 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.602 17.073 -9.161 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.086 18.549 -8.370 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.989 16.631 -6.859 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.264 17.594 -4.983 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.416 18.849 -5.918 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.168 18.615 -6.127 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.058 15.536 -6.089 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.993 16.478 -7.275 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.790 15.289 -7.831 1.00 0.00 H new ATOM 785 N ASP A 56 -3.793 18.948 -11.223 1.00 0.00 N ATOM 786 CA ASP A 56 -3.505 19.768 -12.394 1.00 0.00 C ATOM 787 C ASP A 56 -4.714 20.617 -12.775 1.00 0.00 C ATOM 788 O ASP A 56 -4.740 21.823 -12.531 1.00 0.00 O ATOM 789 CB ASP A 56 -3.096 18.883 -13.573 1.00 0.00 C ATOM 790 CG ASP A 56 -1.613 18.566 -13.572 1.00 0.00 C ATOM 791 OD1 ASP A 56 -1.022 18.495 -12.474 1.00 0.00 O ATOM 792 OD2 ASP A 56 -1.044 18.388 -14.669 1.00 0.00 O ATOM 0 H ASP A 56 -3.942 17.960 -11.426 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.680 20.435 -12.146 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.663 17.953 -13.539 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.357 19.382 -14.506 1.00 0.00 H new ATOM 797 N LYS A 57 -5.713 19.979 -13.375 1.00 0.00 N ATOM 798 CA LYS A 57 -6.926 20.674 -13.790 1.00 0.00 C ATOM 799 C LYS A 57 -8.159 20.043 -13.153 1.00 0.00 C ATOM 800 O LYS A 57 -9.094 19.646 -13.847 1.00 0.00 O ATOM 801 CB LYS A 57 -7.056 20.649 -15.314 1.00 0.00 C ATOM 802 CG LYS A 57 -5.852 21.225 -16.038 1.00 0.00 C ATOM 803 CD LYS A 57 -5.794 20.760 -17.483 1.00 0.00 C ATOM 804 CE LYS A 57 -4.360 20.674 -17.984 1.00 0.00 C ATOM 805 NZ LYS A 57 -4.275 20.870 -19.458 1.00 0.00 N ATOM 0 H LYS A 57 -5.707 18.981 -13.585 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.855 21.709 -13.455 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.207 19.620 -15.640 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -7.945 21.209 -15.603 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.894 22.314 -16.007 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.939 20.927 -15.522 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.271 19.784 -17.572 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.359 21.449 -18.111 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.754 21.428 -17.482 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.941 19.702 -17.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.282 20.804 -19.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.833 20.135 -19.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.651 21.807 -19.706 1.00 0.00 H new ATOM 819 N GLY A 58 -8.156 19.955 -11.826 1.00 0.00 N ATOM 820 CA GLY A 58 -9.281 19.373 -11.118 1.00 0.00 C ATOM 821 C GLY A 58 -9.948 18.261 -11.904 1.00 0.00 C ATOM 822 O GLY A 58 -9.456 17.134 -11.935 1.00 0.00 O ATOM 0 H GLY A 58 -7.394 20.277 -11.229 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.940 18.982 -10.159 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.013 20.151 -10.903 1.00 0.00 H new ATOM 826 N GLU A 59 -11.072 18.580 -12.538 1.00 0.00 N ATOM 827 CA GLU A 59 -11.808 17.597 -13.326 1.00 0.00 C ATOM 828 C GLU A 59 -10.863 16.793 -14.214 1.00 0.00 C ATOM 829 O GLU A 59 -10.100 17.358 -14.997 1.00 0.00 O ATOM 830 CB GLU A 59 -12.868 18.290 -14.185 1.00 0.00 C ATOM 831 CG GLU A 59 -12.295 19.321 -15.143 1.00 0.00 C ATOM 832 CD GLU A 59 -13.358 20.241 -15.713 1.00 0.00 C ATOM 833 OE1 GLU A 59 -14.004 19.854 -16.710 1.00 0.00 O ATOM 834 OE2 GLU A 59 -13.543 21.347 -15.164 1.00 0.00 O ATOM 0 H GLU A 59 -11.492 19.509 -12.522 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.301 16.912 -12.636 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -13.410 17.537 -14.757 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.592 18.776 -13.532 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.544 19.917 -14.624 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.786 18.809 -15.960 1.00 0.00 H new ATOM 841 N SER A 60 -10.920 15.472 -14.086 1.00 0.00 N ATOM 842 CA SER A 60 -10.067 14.589 -14.873 1.00 0.00 C ATOM 843 C SER A 60 -10.687 14.312 -16.239 1.00 0.00 C ATOM 844 O SER A 60 -11.723 14.876 -16.589 1.00 0.00 O ATOM 845 CB SER A 60 -9.834 13.273 -14.129 1.00 0.00 C ATOM 846 OG SER A 60 -10.995 12.460 -14.155 1.00 0.00 O ATOM 0 H SER A 60 -11.548 14.989 -13.444 1.00 0.00 H new ATOM 0 HA SER A 60 -9.109 15.087 -15.022 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.001 12.737 -14.584 1.00 0.00 H new ATOM 0 HB3 SER A 60 -9.554 13.480 -13.096 1.00 0.00 H new ATOM 0 HG SER A 60 -10.778 11.593 -14.558 1.00 0.00 H new ATOM 852 N SER A 61 -10.044 13.438 -17.007 1.00 0.00 N ATOM 853 CA SER A 61 -10.529 13.087 -18.337 1.00 0.00 C ATOM 854 C SER A 61 -9.760 11.895 -18.898 1.00 0.00 C ATOM 855 O SER A 61 -8.619 11.639 -18.511 1.00 0.00 O ATOM 856 CB SER A 61 -10.399 14.283 -19.282 1.00 0.00 C ATOM 857 OG SER A 61 -9.109 14.863 -19.196 1.00 0.00 O ATOM 0 H SER A 61 -9.186 12.960 -16.731 1.00 0.00 H new ATOM 0 HA SER A 61 -11.580 12.812 -18.253 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.590 13.963 -20.306 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.154 15.029 -19.035 1.00 0.00 H new ATOM 0 HG SER A 61 -9.051 15.624 -19.811 1.00 0.00 H new ATOM 863 N CYS A 62 -10.393 11.168 -19.813 1.00 0.00 N ATOM 864 CA CYS A 62 -9.771 10.002 -20.429 1.00 0.00 C ATOM 865 C CYS A 62 -8.307 10.278 -20.759 1.00 0.00 C ATOM 866 O CYS A 62 -7.976 11.196 -21.510 1.00 0.00 O ATOM 867 CB CYS A 62 -10.526 9.606 -21.699 1.00 0.00 C ATOM 868 SG CYS A 62 -9.856 8.133 -22.534 1.00 0.00 S ATOM 0 H CYS A 62 -11.337 11.366 -20.144 1.00 0.00 H new ATOM 0 HA CYS A 62 -9.816 9.178 -19.717 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -11.570 9.423 -21.446 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -10.509 10.444 -22.395 1.00 0.00 H new ATOM 873 N PRO A 63 -7.408 9.464 -20.186 1.00 0.00 N ATOM 874 CA PRO A 63 -5.965 9.599 -20.406 1.00 0.00 C ATOM 875 C PRO A 63 -5.555 9.214 -21.823 1.00 0.00 C ATOM 876 O PRO A 63 -4.372 9.225 -22.163 1.00 0.00 O ATOM 877 CB PRO A 63 -5.359 8.625 -19.391 1.00 0.00 C ATOM 878 CG PRO A 63 -6.426 7.612 -19.155 1.00 0.00 C ATOM 879 CD PRO A 63 -7.731 8.348 -19.281 1.00 0.00 C ATOM 0 HA PRO A 63 -5.629 10.629 -20.283 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.452 8.162 -19.780 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.086 9.135 -18.467 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -6.363 6.802 -19.882 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.325 7.162 -18.167 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.514 7.711 -19.693 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.086 8.705 -18.314 1.00 0.00 H new ATOM 887 N VAL A 64 -6.541 8.874 -22.647 1.00 0.00 N ATOM 888 CA VAL A 64 -6.283 8.487 -24.029 1.00 0.00 C ATOM 889 C VAL A 64 -6.769 9.558 -25.000 1.00 0.00 C ATOM 890 O VAL A 64 -6.020 10.015 -25.863 1.00 0.00 O ATOM 891 CB VAL A 64 -6.965 7.150 -24.375 1.00 0.00 C ATOM 892 CG1 VAL A 64 -6.687 6.766 -25.820 1.00 0.00 C ATOM 893 CG2 VAL A 64 -6.502 6.055 -23.425 1.00 0.00 C ATOM 0 H VAL A 64 -7.526 8.859 -22.382 1.00 0.00 H new ATOM 0 HA VAL A 64 -5.204 8.372 -24.128 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.042 7.270 -24.258 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.177 5.819 -26.045 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.072 7.541 -26.483 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -5.612 6.663 -25.969 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -6.994 5.117 -23.684 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.422 5.934 -23.508 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.758 6.329 -22.402 1.00 0.00 H new ATOM 903 N CYS A 65 -8.029 9.955 -24.851 1.00 0.00 N ATOM 904 CA CYS A 65 -8.616 10.973 -25.714 1.00 0.00 C ATOM 905 C CYS A 65 -9.009 12.208 -24.908 1.00 0.00 C ATOM 906 O CYS A 65 -9.225 13.284 -25.467 1.00 0.00 O ATOM 907 CB CYS A 65 -9.842 10.412 -26.438 1.00 0.00 C ATOM 908 SG CYS A 65 -11.190 9.896 -25.327 1.00 0.00 S ATOM 0 H CYS A 65 -8.662 9.587 -24.141 1.00 0.00 H new ATOM 0 HA CYS A 65 -7.868 11.264 -26.452 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -10.222 11.167 -27.126 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -9.535 9.557 -27.041 1.00 0.00 H new ATOM 913 N ARG A 66 -9.099 12.045 -23.592 1.00 0.00 N ATOM 914 CA ARG A 66 -9.467 13.146 -22.710 1.00 0.00 C ATOM 915 C ARG A 66 -10.848 13.689 -23.064 1.00 0.00 C ATOM 916 O ARG A 66 -11.037 14.900 -23.185 1.00 0.00 O ATOM 917 CB ARG A 66 -8.429 14.266 -22.797 1.00 0.00 C ATOM 918 CG ARG A 66 -6.999 13.790 -22.598 1.00 0.00 C ATOM 919 CD ARG A 66 -6.603 13.816 -21.130 1.00 0.00 C ATOM 920 NE ARG A 66 -6.315 15.170 -20.665 1.00 0.00 N ATOM 921 CZ ARG A 66 -5.586 15.438 -19.588 1.00 0.00 C ATOM 922 NH1 ARG A 66 -5.072 14.450 -18.868 1.00 0.00 N ATOM 923 NH2 ARG A 66 -5.368 16.697 -19.228 1.00 0.00 N ATOM 0 H ARG A 66 -8.922 11.162 -23.113 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.496 12.766 -21.689 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.510 14.749 -23.771 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.659 15.022 -22.046 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.894 12.777 -22.986 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.321 14.423 -23.170 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.407 13.390 -20.530 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.726 13.187 -20.980 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.695 15.953 -21.197 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.236 13.481 -19.141 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.512 14.659 -18.041 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.761 17.460 -19.779 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.808 16.901 -18.400 1.00 0.00 H new ATOM 937 N ILE A 67 -11.809 12.786 -23.228 1.00 0.00 N ATOM 938 CA ILE A 67 -13.172 13.174 -23.568 1.00 0.00 C ATOM 939 C ILE A 67 -13.772 14.073 -22.491 1.00 0.00 C ATOM 940 O ILE A 67 -13.445 13.947 -21.311 1.00 0.00 O ATOM 941 CB ILE A 67 -14.078 11.943 -23.757 1.00 0.00 C ATOM 942 CG1 ILE A 67 -15.338 12.325 -24.537 1.00 0.00 C ATOM 943 CG2 ILE A 67 -14.444 11.344 -22.408 1.00 0.00 C ATOM 944 CD1 ILE A 67 -15.112 12.448 -26.027 1.00 0.00 C ATOM 0 H ILE A 67 -11.669 11.780 -23.131 1.00 0.00 H new ATOM 0 HA ILE A 67 -13.119 13.723 -24.508 1.00 0.00 H new ATOM 0 HB ILE A 67 -13.533 11.193 -24.330 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -16.109 11.576 -24.355 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -15.718 13.273 -24.156 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -15.085 10.475 -22.558 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -13.536 11.040 -21.886 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -14.974 12.087 -21.812 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -16.047 12.721 -26.516 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -14.364 13.217 -26.219 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -14.761 11.494 -26.422 1.00 0.00 H new ATOM 956 N SER A 68 -14.652 14.978 -22.907 1.00 0.00 N ATOM 957 CA SER A 68 -15.297 15.899 -21.978 1.00 0.00 C ATOM 958 C SER A 68 -16.447 15.216 -21.246 1.00 0.00 C ATOM 959 O SER A 68 -17.550 15.090 -21.779 1.00 0.00 O ATOM 960 CB SER A 68 -15.812 17.131 -22.724 1.00 0.00 C ATOM 961 OG SER A 68 -14.820 18.141 -22.788 1.00 0.00 O ATOM 0 H SER A 68 -14.935 15.093 -23.880 1.00 0.00 H new ATOM 0 HA SER A 68 -14.556 16.212 -21.242 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.114 16.849 -23.733 1.00 0.00 H new ATOM 0 HB3 SER A 68 -16.699 17.519 -22.223 1.00 0.00 H new ATOM 0 HG SER A 68 -15.174 18.917 -23.271 1.00 0.00 H new ATOM 967 N TYR A 69 -16.182 14.775 -20.021 1.00 0.00 N ATOM 968 CA TYR A 69 -17.194 14.102 -19.215 1.00 0.00 C ATOM 969 C TYR A 69 -16.772 14.042 -17.750 1.00 0.00 C ATOM 970 O TYR A 69 -15.590 14.154 -17.429 1.00 0.00 O ATOM 971 CB TYR A 69 -17.440 12.688 -19.745 1.00 0.00 C ATOM 972 CG TYR A 69 -16.384 11.692 -19.324 1.00 0.00 C ATOM 973 CD1 TYR A 69 -15.034 12.016 -19.376 1.00 0.00 C ATOM 974 CD2 TYR A 69 -16.736 10.426 -18.873 1.00 0.00 C ATOM 975 CE1 TYR A 69 -14.066 11.108 -18.993 1.00 0.00 C ATOM 976 CE2 TYR A 69 -15.775 9.512 -18.486 1.00 0.00 C ATOM 977 CZ TYR A 69 -14.441 9.857 -18.548 1.00 0.00 C ATOM 978 OH TYR A 69 -13.480 8.951 -18.165 1.00 0.00 O ATOM 0 H TYR A 69 -15.275 14.871 -19.565 1.00 0.00 H new ATOM 0 HA TYR A 69 -18.118 14.675 -19.285 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -18.413 12.342 -19.396 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -17.484 12.720 -20.834 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -14.736 12.995 -19.722 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -17.779 10.151 -18.824 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -13.021 11.376 -19.042 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -16.067 8.533 -18.137 1.00 0.00 H new ATOM 0 HH TYR A 69 -13.707 8.585 -17.285 1.00 0.00 H new ATOM 988 N GLN A 70 -17.749 13.865 -16.867 1.00 0.00 N ATOM 989 CA GLN A 70 -17.481 13.790 -15.436 1.00 0.00 C ATOM 990 C GLN A 70 -17.223 12.350 -15.005 1.00 0.00 C ATOM 991 O GLN A 70 -18.033 11.452 -15.238 1.00 0.00 O ATOM 992 CB GLN A 70 -18.654 14.370 -14.644 1.00 0.00 C ATOM 993 CG GLN A 70 -18.597 15.881 -14.491 1.00 0.00 C ATOM 994 CD GLN A 70 -19.757 16.430 -13.684 1.00 0.00 C ATOM 995 OE1 GLN A 70 -20.913 16.075 -13.917 1.00 0.00 O ATOM 996 NE2 GLN A 70 -19.454 17.301 -12.729 1.00 0.00 N ATOM 0 H GLN A 70 -18.733 13.771 -17.117 1.00 0.00 H new ATOM 0 HA GLN A 70 -16.587 14.378 -15.229 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -19.586 14.098 -15.140 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -18.674 13.913 -13.654 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -17.660 16.158 -14.008 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -18.596 16.343 -15.478 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -18.482 17.567 -12.571 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -20.193 17.704 -12.153 1.00 0.00 H new ATOM 1005 N PRO A 71 -16.069 12.122 -14.362 1.00 0.00 N ATOM 1006 CA PRO A 71 -15.678 10.792 -13.884 1.00 0.00 C ATOM 1007 C PRO A 71 -16.536 10.320 -12.715 1.00 0.00 C ATOM 1008 O PRO A 71 -16.316 9.239 -12.170 1.00 0.00 O ATOM 1009 CB PRO A 71 -14.227 10.987 -13.438 1.00 0.00 C ATOM 1010 CG PRO A 71 -14.125 12.436 -13.105 1.00 0.00 C ATOM 1011 CD PRO A 71 -15.056 13.144 -14.050 1.00 0.00 C ATOM 0 HA PRO A 71 -15.803 10.030 -14.653 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.991 10.365 -12.575 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.529 10.712 -14.229 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -14.408 12.619 -12.068 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -13.102 12.793 -13.224 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -15.503 14.025 -13.589 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -14.537 13.482 -14.947 1.00 0.00 H new ATOM 1019 N GLU A 72 -17.513 11.137 -12.337 1.00 0.00 N ATOM 1020 CA GLU A 72 -18.404 10.802 -11.232 1.00 0.00 C ATOM 1021 C GLU A 72 -19.399 9.721 -11.644 1.00 0.00 C ATOM 1022 O GLU A 72 -19.411 8.627 -11.080 1.00 0.00 O ATOM 1023 CB GLU A 72 -19.155 12.048 -10.757 1.00 0.00 C ATOM 1024 CG GLU A 72 -18.311 12.980 -9.906 1.00 0.00 C ATOM 1025 CD GLU A 72 -19.044 14.255 -9.534 1.00 0.00 C ATOM 1026 OE1 GLU A 72 -19.305 15.074 -10.439 1.00 0.00 O ATOM 1027 OE2 GLU A 72 -19.355 14.433 -8.338 1.00 0.00 O ATOM 0 H GLU A 72 -17.708 12.035 -12.779 1.00 0.00 H new ATOM 0 HA GLU A 72 -17.796 10.419 -10.412 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -19.521 12.595 -11.626 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -20.029 11.739 -10.184 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -18.008 12.461 -8.997 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -17.399 13.234 -10.447 1.00 0.00 H new ATOM 1034 N ASN A 73 -20.231 10.036 -12.631 1.00 0.00 N ATOM 1035 CA ASN A 73 -21.231 9.092 -13.118 1.00 0.00 C ATOM 1036 C ASN A 73 -20.667 8.238 -14.250 1.00 0.00 C ATOM 1037 O ASN A 73 -20.475 8.719 -15.367 1.00 0.00 O ATOM 1038 CB ASN A 73 -22.476 9.839 -13.600 1.00 0.00 C ATOM 1039 CG ASN A 73 -23.005 10.810 -12.562 1.00 0.00 C ATOM 1040 OD1 ASN A 73 -23.117 10.475 -11.382 1.00 0.00 O ATOM 1041 ND2 ASN A 73 -23.334 12.021 -12.997 1.00 0.00 N ATOM 0 H ASN A 73 -20.233 10.937 -13.109 1.00 0.00 H new ATOM 0 HA ASN A 73 -21.506 8.435 -12.293 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -22.239 10.382 -14.515 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -23.255 9.119 -13.850 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -23.696 12.716 -12.344 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -23.225 12.256 -13.984 1.00 0.00 H new ATOM 1048 N ILE A 74 -20.403 6.970 -13.952 1.00 0.00 N ATOM 1049 CA ILE A 74 -19.863 6.050 -14.945 1.00 0.00 C ATOM 1050 C ILE A 74 -20.154 4.601 -14.567 1.00 0.00 C ATOM 1051 O ILE A 74 -20.084 4.229 -13.396 1.00 0.00 O ATOM 1052 CB ILE A 74 -18.343 6.230 -15.111 1.00 0.00 C ATOM 1053 CG1 ILE A 74 -18.019 7.669 -15.518 1.00 0.00 C ATOM 1054 CG2 ILE A 74 -17.803 5.249 -16.141 1.00 0.00 C ATOM 1055 CD1 ILE A 74 -16.541 7.925 -15.709 1.00 0.00 C ATOM 0 H ILE A 74 -20.554 6.557 -13.032 1.00 0.00 H new ATOM 0 HA ILE A 74 -20.353 6.282 -15.890 1.00 0.00 H new ATOM 0 HB ILE A 74 -17.861 6.025 -14.155 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -18.543 7.902 -16.445 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -18.402 8.348 -14.756 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -16.727 5.388 -16.247 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -18.006 4.229 -15.814 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -18.288 5.425 -17.101 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -16.386 8.965 -15.997 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -16.013 7.724 -14.777 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -16.157 7.271 -16.492 1.00 0.00 H new ATOM 1067 N ARG A 75 -20.479 3.788 -15.567 1.00 0.00 N ATOM 1068 CA ARG A 75 -20.780 2.380 -15.339 1.00 0.00 C ATOM 1069 C ARG A 75 -20.008 1.495 -16.314 1.00 0.00 C ATOM 1070 O ARG A 75 -19.763 1.862 -17.463 1.00 0.00 O ATOM 1071 CB ARG A 75 -22.281 2.127 -15.484 1.00 0.00 C ATOM 1072 CG ARG A 75 -22.805 2.360 -16.892 1.00 0.00 C ATOM 1073 CD ARG A 75 -24.319 2.230 -16.952 1.00 0.00 C ATOM 1074 NE ARG A 75 -24.985 3.183 -16.069 1.00 0.00 N ATOM 1075 CZ ARG A 75 -26.270 3.505 -16.171 1.00 0.00 C ATOM 1076 NH1 ARG A 75 -27.022 2.954 -17.113 1.00 0.00 N ATOM 1077 NH2 ARG A 75 -26.805 4.381 -15.330 1.00 0.00 N ATOM 0 H ARG A 75 -20.541 4.080 -16.542 1.00 0.00 H new ATOM 0 HA ARG A 75 -20.473 2.128 -14.324 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -22.498 1.100 -15.190 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -22.819 2.776 -14.793 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -22.510 3.353 -17.231 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -22.350 1.642 -17.574 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -24.656 2.388 -17.976 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -24.607 1.216 -16.675 1.00 0.00 H new ATOM 0 HE ARG A 75 -24.434 3.626 -15.334 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -26.615 2.281 -17.762 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -28.008 3.203 -17.189 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -26.230 4.808 -14.604 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -27.792 4.627 -15.409 1.00 0.00 H new ATOM 1091 N PRO A 76 -19.614 0.302 -15.845 1.00 0.00 N ATOM 1092 CA PRO A 76 -18.864 -0.660 -16.658 1.00 0.00 C ATOM 1093 C PRO A 76 -19.714 -1.267 -17.769 1.00 0.00 C ATOM 1094 O PRO A 76 -20.805 -0.781 -18.065 1.00 0.00 O ATOM 1095 CB PRO A 76 -18.455 -1.736 -15.649 1.00 0.00 C ATOM 1096 CG PRO A 76 -19.478 -1.650 -14.569 1.00 0.00 C ATOM 1097 CD PRO A 76 -19.871 -0.201 -14.485 1.00 0.00 C ATOM 0 HA PRO A 76 -18.021 -0.193 -17.168 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -18.445 -2.725 -16.107 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -17.453 -1.554 -15.261 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -20.341 -2.276 -14.798 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -19.073 -2.000 -13.619 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -20.918 -0.084 -14.205 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -19.280 0.333 -13.741 1.00 0.00 H new ATOM 1105 N ASN A 77 -19.208 -2.333 -18.380 1.00 0.00 N ATOM 1106 CA ASN A 77 -19.922 -3.007 -19.459 1.00 0.00 C ATOM 1107 C ASN A 77 -20.948 -3.989 -18.902 1.00 0.00 C ATOM 1108 O ASN A 77 -21.004 -5.147 -19.317 1.00 0.00 O ATOM 1109 CB ASN A 77 -18.936 -3.744 -20.368 1.00 0.00 C ATOM 1110 CG ASN A 77 -18.022 -4.675 -19.596 1.00 0.00 C ATOM 1111 OD1 ASN A 77 -16.725 -4.392 -19.629 1.00 0.00 O flip ATOM 1112 ND2 ASN A 77 -18.477 -5.637 -18.978 1.00 0.00 N flip ATOM 0 H ASN A 77 -18.306 -2.749 -18.147 1.00 0.00 H new ATOM 0 HA ASN A 77 -20.448 -2.251 -20.041 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -19.490 -4.317 -21.111 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -18.333 -3.016 -20.911 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -19.481 -5.816 -18.981 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -17.850 -6.255 -18.463 1.00 0.00 H new ATOM 1119 N ARG A 78 -21.759 -3.517 -17.961 1.00 0.00 N ATOM 1120 CA ARG A 78 -22.784 -4.353 -17.346 1.00 0.00 C ATOM 1121 C ARG A 78 -24.166 -3.726 -17.507 1.00 0.00 C ATOM 1122 O ARG A 78 -24.293 -2.514 -17.680 1.00 0.00 O ATOM 1123 CB ARG A 78 -22.478 -4.565 -15.862 1.00 0.00 C ATOM 1124 CG ARG A 78 -22.994 -5.885 -15.316 1.00 0.00 C ATOM 1125 CD ARG A 78 -22.808 -5.976 -13.809 1.00 0.00 C ATOM 1126 NE ARG A 78 -23.563 -7.083 -13.230 1.00 0.00 N ATOM 1127 CZ ARG A 78 -23.215 -7.704 -12.108 1.00 0.00 C ATOM 1128 NH1 ARG A 78 -22.128 -7.327 -11.448 1.00 0.00 N ATOM 1129 NH2 ARG A 78 -23.954 -8.703 -11.644 1.00 0.00 N ATOM 0 H ARG A 78 -21.727 -2.561 -17.608 1.00 0.00 H new ATOM 0 HA ARG A 78 -22.781 -5.319 -17.852 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -21.400 -4.516 -15.712 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -22.917 -3.748 -15.289 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -24.051 -5.993 -15.560 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -22.470 -6.710 -15.799 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -21.749 -6.101 -13.581 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -23.125 -5.041 -13.348 1.00 0.00 H new ATOM 0 HE ARG A 78 -24.404 -7.397 -13.713 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -21.557 -6.559 -11.802 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -21.863 -7.805 -10.587 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -24.791 -8.996 -12.149 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -23.685 -9.179 -10.783 1.00 0.00 H new ATOM 1143 N HIS A 79 -25.199 -4.561 -17.449 1.00 0.00 N ATOM 1144 CA HIS A 79 -26.572 -4.088 -17.588 1.00 0.00 C ATOM 1145 C HIS A 79 -27.346 -4.277 -16.287 1.00 0.00 C ATOM 1146 O HIS A 79 -27.838 -5.368 -15.999 1.00 0.00 O ATOM 1147 CB HIS A 79 -27.275 -4.829 -18.726 1.00 0.00 C ATOM 1148 CG HIS A 79 -28.627 -4.275 -19.055 1.00 0.00 C ATOM 1149 ND1 HIS A 79 -29.601 -4.050 -18.105 1.00 0.00 N ATOM 1150 CD2 HIS A 79 -29.165 -3.898 -20.239 1.00 0.00 C ATOM 1151 CE1 HIS A 79 -30.679 -3.561 -18.690 1.00 0.00 C ATOM 1152 NE2 HIS A 79 -30.441 -3.458 -19.985 1.00 0.00 N ATOM 0 H HIS A 79 -25.112 -5.567 -17.307 1.00 0.00 H new ATOM 0 HA HIS A 79 -26.542 -3.024 -17.821 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -26.648 -4.789 -19.617 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -27.378 -5.880 -18.456 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -28.681 -3.936 -21.204 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -31.599 -3.291 -18.194 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -31.098 -3.109 -20.683 1.00 0.00 H new ATOM 1160 N VAL A 80 -27.449 -3.208 -15.505 1.00 0.00 N ATOM 1161 CA VAL A 80 -28.163 -3.256 -14.235 1.00 0.00 C ATOM 1162 C VAL A 80 -29.614 -2.816 -14.403 1.00 0.00 C ATOM 1163 O VAL A 80 -29.972 -2.191 -15.400 1.00 0.00 O ATOM 1164 CB VAL A 80 -27.488 -2.364 -13.177 1.00 0.00 C ATOM 1165 CG1 VAL A 80 -26.066 -2.835 -12.910 1.00 0.00 C ATOM 1166 CG2 VAL A 80 -27.502 -0.908 -13.620 1.00 0.00 C ATOM 0 H VAL A 80 -27.047 -2.298 -15.729 1.00 0.00 H new ATOM 0 HA VAL A 80 -28.137 -4.292 -13.897 1.00 0.00 H new ATOM 0 HB VAL A 80 -28.052 -2.442 -12.247 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -25.605 -2.193 -12.160 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -26.085 -3.862 -12.546 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -25.488 -2.788 -13.833 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -27.021 -0.292 -12.860 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -26.963 -0.809 -14.562 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -28.532 -0.579 -13.755 1.00 0.00 H new ATOM 1176 N ALA A 81 -30.444 -3.148 -13.420 1.00 0.00 N ATOM 1177 CA ALA A 81 -31.856 -2.785 -13.457 1.00 0.00 C ATOM 1178 C ALA A 81 -32.207 -1.828 -12.323 1.00 0.00 C ATOM 1179 O ALA A 81 -33.249 -1.964 -11.684 1.00 0.00 O ATOM 1180 CB ALA A 81 -32.723 -4.033 -13.385 1.00 0.00 C ATOM 0 H ALA A 81 -30.164 -3.668 -12.588 1.00 0.00 H new ATOM 0 HA ALA A 81 -32.050 -2.275 -14.400 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -33.775 -3.748 -13.413 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -32.500 -4.681 -14.233 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -32.517 -4.566 -12.457 1.00 0.00 H new ATOM 1186 N ASN A 82 -31.330 -0.859 -12.080 1.00 0.00 N ATOM 1187 CA ASN A 82 -31.547 0.120 -11.021 1.00 0.00 C ATOM 1188 C ASN A 82 -32.747 1.008 -11.340 1.00 0.00 C ATOM 1189 O ASN A 82 -32.655 1.921 -12.161 1.00 0.00 O ATOM 1190 CB ASN A 82 -30.297 0.982 -10.831 1.00 0.00 C ATOM 1191 CG ASN A 82 -29.282 0.331 -9.911 1.00 0.00 C ATOM 1192 OD1 ASN A 82 -28.327 -0.296 -10.369 1.00 0.00 O ATOM 1193 ND2 ASN A 82 -29.484 0.479 -8.607 1.00 0.00 N ATOM 0 H ASN A 82 -30.463 -0.731 -12.602 1.00 0.00 H new ATOM 0 HA ASN A 82 -31.752 -0.420 -10.097 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -29.837 1.169 -11.801 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -30.585 1.951 -10.423 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -28.833 0.064 -7.940 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -30.290 1.007 -8.272 1.00 0.00 H new ATOM 1200 N ILE A 83 -33.869 0.733 -10.685 1.00 0.00 N ATOM 1201 CA ILE A 83 -35.086 1.507 -10.897 1.00 0.00 C ATOM 1202 C ILE A 83 -35.326 2.480 -9.747 1.00 0.00 C ATOM 1203 O ILE A 83 -35.347 2.086 -8.581 1.00 0.00 O ATOM 1204 CB ILE A 83 -36.316 0.593 -11.047 1.00 0.00 C ATOM 1205 CG1 ILE A 83 -36.121 -0.373 -12.217 1.00 0.00 C ATOM 1206 CG2 ILE A 83 -37.574 1.426 -11.245 1.00 0.00 C ATOM 1207 CD1 ILE A 83 -37.036 -1.577 -12.166 1.00 0.00 C ATOM 0 H ILE A 83 -33.961 -0.020 -10.003 1.00 0.00 H new ATOM 0 HA ILE A 83 -34.946 2.068 -11.821 1.00 0.00 H new ATOM 0 HB ILE A 83 -36.430 0.009 -10.134 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -36.290 0.162 -13.151 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -35.086 -0.714 -12.228 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -38.435 0.766 -11.349 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -37.719 2.077 -10.383 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -37.471 2.033 -12.145 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -36.842 -2.218 -13.026 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -36.851 -2.136 -11.248 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -38.074 -1.246 -12.187 1.00 0.00 H new ATOM 1219 N VAL A 84 -35.510 3.752 -10.083 1.00 0.00 N ATOM 1220 CA VAL A 84 -35.752 4.781 -9.079 1.00 0.00 C ATOM 1221 C VAL A 84 -37.137 4.631 -8.461 1.00 0.00 C ATOM 1222 O VAL A 84 -38.139 4.548 -9.172 1.00 0.00 O ATOM 1223 CB VAL A 84 -35.621 6.194 -9.680 1.00 0.00 C ATOM 1224 CG1 VAL A 84 -34.195 6.445 -10.148 1.00 0.00 C ATOM 1225 CG2 VAL A 84 -36.606 6.380 -10.824 1.00 0.00 C ATOM 0 H VAL A 84 -35.496 4.095 -11.043 1.00 0.00 H new ATOM 0 HA VAL A 84 -34.996 4.651 -8.305 1.00 0.00 H new ATOM 0 HB VAL A 84 -35.858 6.923 -8.905 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -34.122 7.448 -10.569 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -33.513 6.356 -9.302 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -33.927 5.711 -10.908 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -36.499 7.383 -11.236 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -36.403 5.644 -11.602 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -37.623 6.246 -10.454 1.00 0.00 H new ATOM 1235 N GLU A 85 -37.187 4.596 -7.133 1.00 0.00 N ATOM 1236 CA GLU A 85 -38.450 4.455 -6.420 1.00 0.00 C ATOM 1237 C GLU A 85 -38.315 4.926 -4.974 1.00 0.00 C ATOM 1238 O GLU A 85 -37.308 4.625 -4.335 1.00 0.00 O ATOM 1239 CB GLU A 85 -38.920 2.999 -6.452 1.00 0.00 C ATOM 1240 CG GLU A 85 -39.746 2.653 -7.679 1.00 0.00 C ATOM 1241 CD GLU A 85 -40.829 3.676 -7.961 1.00 0.00 C ATOM 1242 OE1 GLU A 85 -41.632 3.959 -7.047 1.00 0.00 O ATOM 1243 OE2 GLU A 85 -40.874 4.195 -9.096 1.00 0.00 O ATOM 0 H GLU A 85 -36.367 4.663 -6.530 1.00 0.00 H new ATOM 0 HA GLU A 85 -39.191 5.079 -6.919 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -38.049 2.344 -6.414 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -39.510 2.797 -5.558 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -39.089 2.577 -8.545 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -40.204 1.674 -7.540 1.00 0.00 H new TER 1250 GLU A 85 HETATM 1251 ZN ZN A 201 -4.160 -0.730 -15.594 1.00 0.00 ZN HETATM 1252 ZN ZN A 401 -10.958 7.797 -24.414 1.00 0.00 ZN