USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 541 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 38 HIS HD1 : A 38 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 68 HIS HD1 : A 68 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 53 THR OG1 : rot 180:sc= -0.0584 USER MOD Set 1.2: A 55 SER OG : rot 37:sc= 0.866 USER MOD Set 2.1: A 50 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 52 SER OG : rot 180:sc= 0 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= -0.161 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 165:sc= 0 (180deg=-0.118) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 28 ASN : amide:sc= -0.564 K(o=-0.56,f=-3.9!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -110:sc= -2.57 (180deg=-7.28!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0202 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 159:sc= -0.518 USER MOD Single : A 70 HIS : no HD1:sc= -0.476 X(o=-0.48,f=-0.42) USER MOD Single : A 71 HIS : no HD1:sc= -0.027 X(o=-0.027,f=-0.35) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.588 24.521 -30.027 1.00 0.00 N ATOM 2 CA GLY A 1 -26.294 23.390 -29.167 1.00 0.00 C ATOM 3 C GLY A 1 -27.483 22.982 -28.319 1.00 0.00 C ATOM 4 O GLY A 1 -28.475 22.467 -28.834 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.744 24.761 -30.586 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.369 24.276 -30.668 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.861 25.338 -29.445 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.981 22.544 -29.779 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.456 23.640 -28.516 1.00 0.00 H new ATOM 8 N SER A 2 -27.383 23.213 -27.013 1.00 0.00 N ATOM 9 CA SER A 2 -28.456 22.861 -26.091 1.00 0.00 C ATOM 10 C SER A 2 -28.729 21.360 -26.122 1.00 0.00 C ATOM 11 O SER A 2 -29.881 20.927 -26.080 1.00 0.00 O ATOM 12 CB SER A 2 -29.731 23.630 -26.441 1.00 0.00 C ATOM 13 OG SER A 2 -29.595 25.008 -26.139 1.00 0.00 O ATOM 0 H SER A 2 -26.570 23.642 -26.571 1.00 0.00 H new ATOM 0 HA SER A 2 -28.140 23.134 -25.084 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.954 23.507 -27.501 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.573 23.215 -25.888 1.00 0.00 H new ATOM 0 HG SER A 2 -30.423 25.478 -26.373 1.00 0.00 H new ATOM 19 N SER A 3 -27.661 20.572 -26.196 1.00 0.00 N ATOM 20 CA SER A 3 -27.785 19.120 -26.237 1.00 0.00 C ATOM 21 C SER A 3 -26.517 18.452 -25.712 1.00 0.00 C ATOM 22 O SER A 3 -25.407 18.915 -25.969 1.00 0.00 O ATOM 23 CB SER A 3 -28.068 18.651 -27.665 1.00 0.00 C ATOM 24 OG SER A 3 -29.232 19.271 -28.184 1.00 0.00 O ATOM 0 H SER A 3 -26.701 20.915 -26.229 1.00 0.00 H new ATOM 0 HA SER A 3 -28.619 18.833 -25.596 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.214 18.881 -28.303 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.192 17.568 -27.678 1.00 0.00 H new ATOM 0 HG SER A 3 -29.390 18.956 -29.098 1.00 0.00 H new ATOM 30 N GLY A 4 -26.693 17.359 -24.975 1.00 0.00 N ATOM 31 CA GLY A 4 -25.556 16.645 -24.425 1.00 0.00 C ATOM 32 C GLY A 4 -25.848 16.052 -23.061 1.00 0.00 C ATOM 33 O GLY A 4 -25.710 16.726 -22.041 1.00 0.00 O ATOM 0 H GLY A 4 -27.602 16.956 -24.749 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.266 15.848 -25.110 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.707 17.324 -24.348 1.00 0.00 H new ATOM 37 N SER A 5 -26.254 14.786 -23.043 1.00 0.00 N ATOM 38 CA SER A 5 -26.572 14.104 -21.794 1.00 0.00 C ATOM 39 C SER A 5 -26.140 12.642 -21.849 1.00 0.00 C ATOM 40 O SER A 5 -26.574 11.886 -22.718 1.00 0.00 O ATOM 41 CB SER A 5 -28.072 14.193 -21.507 1.00 0.00 C ATOM 42 OG SER A 5 -28.361 13.804 -20.176 1.00 0.00 O ATOM 0 H SER A 5 -26.370 14.213 -23.879 1.00 0.00 H new ATOM 0 HA SER A 5 -26.026 14.597 -20.990 1.00 0.00 H new ATOM 0 HB2 SER A 5 -28.417 15.213 -21.674 1.00 0.00 H new ATOM 0 HB3 SER A 5 -28.617 13.554 -22.202 1.00 0.00 H new ATOM 0 HG SER A 5 -29.326 13.871 -20.018 1.00 0.00 H new ATOM 48 N SER A 6 -25.281 12.250 -20.913 1.00 0.00 N ATOM 49 CA SER A 6 -24.785 10.880 -20.856 1.00 0.00 C ATOM 50 C SER A 6 -24.504 10.463 -19.415 1.00 0.00 C ATOM 51 O SER A 6 -24.098 11.279 -18.589 1.00 0.00 O ATOM 52 CB SER A 6 -23.515 10.738 -21.696 1.00 0.00 C ATOM 53 OG SER A 6 -22.428 11.423 -21.097 1.00 0.00 O ATOM 0 H SER A 6 -24.914 12.862 -20.184 1.00 0.00 H new ATOM 0 HA SER A 6 -25.555 10.225 -21.262 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.266 9.683 -21.809 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.691 11.133 -22.697 1.00 0.00 H new ATOM 0 HG SER A 6 -21.628 11.316 -21.652 1.00 0.00 H new ATOM 59 N GLY A 7 -24.725 9.185 -19.121 1.00 0.00 N ATOM 60 CA GLY A 7 -24.491 8.682 -17.780 1.00 0.00 C ATOM 61 C GLY A 7 -25.005 7.268 -17.594 1.00 0.00 C ATOM 62 O GLY A 7 -24.664 6.369 -18.362 1.00 0.00 O ATOM 0 H GLY A 7 -25.062 8.490 -19.787 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.422 8.708 -17.567 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -24.976 9.340 -17.059 1.00 0.00 H new ATOM 66 N LYS A 8 -25.828 7.069 -16.569 1.00 0.00 N ATOM 67 CA LYS A 8 -26.390 5.755 -16.283 1.00 0.00 C ATOM 68 C LYS A 8 -25.287 4.717 -16.108 1.00 0.00 C ATOM 69 O LYS A 8 -25.400 3.589 -16.588 1.00 0.00 O ATOM 70 CB LYS A 8 -27.335 5.326 -17.408 1.00 0.00 C ATOM 71 CG LYS A 8 -28.408 4.348 -16.961 1.00 0.00 C ATOM 72 CD LYS A 8 -29.458 5.029 -16.098 1.00 0.00 C ATOM 73 CE LYS A 8 -30.597 5.583 -16.939 1.00 0.00 C ATOM 74 NZ LYS A 8 -31.665 4.570 -17.163 1.00 0.00 N ATOM 0 H LYS A 8 -26.120 7.802 -15.923 1.00 0.00 H new ATOM 0 HA LYS A 8 -26.951 5.823 -15.351 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -27.814 6.211 -17.827 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -26.751 4.871 -18.208 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -28.885 3.905 -17.835 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -27.949 3.533 -16.402 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -29.853 4.317 -15.373 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -28.996 5.838 -15.531 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -31.023 6.456 -16.444 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -30.208 5.919 -17.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -32.423 4.987 -17.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -31.265 3.747 -17.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -32.054 4.267 -16.247 1.00 0.00 H new ATOM 88 N ASP A 9 -24.221 5.105 -15.417 1.00 0.00 N ATOM 89 CA ASP A 9 -23.097 4.206 -15.176 1.00 0.00 C ATOM 90 C ASP A 9 -22.766 4.137 -13.688 1.00 0.00 C ATOM 91 O ASP A 9 -22.223 5.084 -13.118 1.00 0.00 O ATOM 92 CB ASP A 9 -21.870 4.668 -15.963 1.00 0.00 C ATOM 93 CG ASP A 9 -21.707 6.175 -15.951 1.00 0.00 C ATOM 94 OD1 ASP A 9 -21.489 6.739 -14.859 1.00 0.00 O ATOM 95 OD2 ASP A 9 -21.799 6.791 -17.034 1.00 0.00 O ATOM 0 H ASP A 9 -24.111 6.035 -15.014 1.00 0.00 H new ATOM 0 HA ASP A 9 -23.381 3.209 -15.513 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -20.977 4.206 -15.542 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -21.952 4.323 -16.994 1.00 0.00 H new ATOM 100 N PHE A 10 -23.097 3.011 -13.065 1.00 0.00 N ATOM 101 CA PHE A 10 -22.837 2.819 -11.644 1.00 0.00 C ATOM 102 C PHE A 10 -21.639 1.898 -11.429 1.00 0.00 C ATOM 103 O PHE A 10 -21.152 1.266 -12.368 1.00 0.00 O ATOM 104 CB PHE A 10 -24.072 2.237 -10.952 1.00 0.00 C ATOM 105 CG PHE A 10 -24.098 0.735 -10.937 1.00 0.00 C ATOM 106 CD1 PHE A 10 -24.170 0.018 -12.121 1.00 0.00 C ATOM 107 CD2 PHE A 10 -24.052 0.040 -9.739 1.00 0.00 C ATOM 108 CE1 PHE A 10 -24.194 -1.364 -12.111 1.00 0.00 C ATOM 109 CE2 PHE A 10 -24.076 -1.342 -9.723 1.00 0.00 C ATOM 110 CZ PHE A 10 -24.148 -2.044 -10.910 1.00 0.00 C ATOM 0 H PHE A 10 -23.546 2.218 -13.522 1.00 0.00 H new ATOM 0 HA PHE A 10 -22.608 3.791 -11.208 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -24.110 2.603 -9.926 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -24.967 2.603 -11.455 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -24.208 0.545 -13.063 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -23.997 0.584 -8.808 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -24.249 -1.911 -13.041 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -24.038 -1.872 -8.783 1.00 0.00 H new ATOM 0 HZ PHE A 10 -24.168 -3.124 -10.899 1.00 0.00 H new ATOM 120 N LEU A 11 -21.168 1.829 -10.189 1.00 0.00 N ATOM 121 CA LEU A 11 -20.026 0.987 -9.850 1.00 0.00 C ATOM 122 C LEU A 11 -20.138 -0.378 -10.521 1.00 0.00 C ATOM 123 O LEU A 11 -20.923 -1.226 -10.098 1.00 0.00 O ATOM 124 CB LEU A 11 -19.926 0.816 -8.333 1.00 0.00 C ATOM 125 CG LEU A 11 -19.234 1.949 -7.574 1.00 0.00 C ATOM 126 CD1 LEU A 11 -19.625 1.923 -6.105 1.00 0.00 C ATOM 127 CD2 LEU A 11 -17.724 1.849 -7.729 1.00 0.00 C ATOM 0 H LEU A 11 -21.559 2.346 -9.401 1.00 0.00 H new ATOM 0 HA LEU A 11 -19.123 1.477 -10.214 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -20.933 0.700 -7.933 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -19.392 -0.112 -8.126 1.00 0.00 H new ATOM 0 HG LEU A 11 -19.560 2.899 -7.998 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -19.123 2.736 -5.580 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -20.704 2.044 -6.014 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -19.328 0.970 -5.666 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -17.247 2.663 -7.183 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -17.380 0.894 -7.331 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -17.461 1.918 -8.785 1.00 0.00 H new ATOM 139 N ALA A 12 -19.347 -0.584 -11.569 1.00 0.00 N ATOM 140 CA ALA A 12 -19.354 -1.847 -12.295 1.00 0.00 C ATOM 141 C ALA A 12 -18.011 -2.559 -12.173 1.00 0.00 C ATOM 142 O ALA A 12 -17.955 -3.777 -12.007 1.00 0.00 O ATOM 143 CB ALA A 12 -19.698 -1.613 -13.759 1.00 0.00 C ATOM 0 H ALA A 12 -18.693 0.108 -11.934 1.00 0.00 H new ATOM 0 HA ALA A 12 -20.116 -2.487 -11.852 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -19.700 -2.565 -14.289 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -20.685 -1.155 -13.832 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -18.957 -0.950 -14.206 1.00 0.00 H new ATOM 149 N MET A 13 -16.930 -1.790 -12.258 1.00 0.00 N ATOM 150 CA MET A 13 -15.586 -2.348 -12.156 1.00 0.00 C ATOM 151 C MET A 13 -15.165 -2.490 -10.697 1.00 0.00 C ATOM 152 O MET A 13 -13.983 -2.394 -10.369 1.00 0.00 O ATOM 153 CB MET A 13 -14.586 -1.463 -12.903 1.00 0.00 C ATOM 154 CG MET A 13 -14.543 -0.031 -12.395 1.00 0.00 C ATOM 155 SD MET A 13 -13.304 0.212 -11.108 1.00 0.00 S ATOM 156 CE MET A 13 -11.800 0.209 -12.082 1.00 0.00 C ATOM 0 H MET A 13 -16.958 -0.780 -12.397 1.00 0.00 H new ATOM 0 HA MET A 13 -15.595 -3.339 -12.611 1.00 0.00 H new ATOM 0 HB2 MET A 13 -13.591 -1.900 -12.817 1.00 0.00 H new ATOM 0 HB3 MET A 13 -14.840 -1.456 -13.963 1.00 0.00 H new ATOM 0 HG2 MET A 13 -14.332 0.640 -13.228 1.00 0.00 H new ATOM 0 HG3 MET A 13 -15.524 0.242 -12.006 1.00 0.00 H new ATOM 0 HE1 MET A 13 -10.980 0.608 -11.486 1.00 0.00 H new ATOM 0 HE2 MET A 13 -11.565 -0.811 -12.385 1.00 0.00 H new ATOM 0 HE3 MET A 13 -11.939 0.828 -12.968 1.00 0.00 H new ATOM 166 N PHE A 14 -16.141 -2.720 -9.825 1.00 0.00 N ATOM 167 CA PHE A 14 -15.872 -2.875 -8.400 1.00 0.00 C ATOM 168 C PHE A 14 -14.625 -3.725 -8.171 1.00 0.00 C ATOM 169 O PHE A 14 -13.772 -3.385 -7.352 1.00 0.00 O ATOM 170 CB PHE A 14 -17.073 -3.512 -7.698 1.00 0.00 C ATOM 171 CG PHE A 14 -17.137 -3.212 -6.228 1.00 0.00 C ATOM 172 CD1 PHE A 14 -17.405 -1.928 -5.781 1.00 0.00 C ATOM 173 CD2 PHE A 14 -16.930 -4.213 -5.293 1.00 0.00 C ATOM 174 CE1 PHE A 14 -17.464 -1.649 -4.428 1.00 0.00 C ATOM 175 CE2 PHE A 14 -16.988 -3.940 -3.939 1.00 0.00 C ATOM 176 CZ PHE A 14 -17.257 -2.657 -3.507 1.00 0.00 C ATOM 0 H PHE A 14 -17.125 -2.803 -10.080 1.00 0.00 H new ATOM 0 HA PHE A 14 -15.698 -1.885 -7.979 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -17.989 -3.161 -8.172 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -17.035 -4.592 -7.839 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -17.570 -1.137 -6.497 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -16.721 -5.219 -5.626 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -17.672 -0.644 -4.092 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -16.823 -4.729 -3.220 1.00 0.00 H new ATOM 0 HZ PHE A 14 -17.306 -2.442 -2.450 1.00 0.00 H new ATOM 186 N SER A 15 -14.528 -4.831 -8.901 1.00 0.00 N ATOM 187 CA SER A 15 -13.389 -5.732 -8.775 1.00 0.00 C ATOM 188 C SER A 15 -12.148 -5.135 -9.432 1.00 0.00 C ATOM 189 O SER A 15 -12.232 -4.341 -10.370 1.00 0.00 O ATOM 190 CB SER A 15 -13.712 -7.088 -9.408 1.00 0.00 C ATOM 191 OG SER A 15 -14.964 -7.576 -8.958 1.00 0.00 O ATOM 0 H SER A 15 -15.224 -5.125 -9.586 1.00 0.00 H new ATOM 0 HA SER A 15 -13.185 -5.873 -7.714 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.725 -6.992 -10.494 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.929 -7.804 -9.160 1.00 0.00 H new ATOM 0 HG SER A 15 -15.148 -8.442 -9.378 1.00 0.00 H new ATOM 197 N PRO A 16 -10.968 -5.523 -8.928 1.00 0.00 N ATOM 198 CA PRO A 16 -9.686 -5.039 -9.449 1.00 0.00 C ATOM 199 C PRO A 16 -9.383 -5.585 -10.840 1.00 0.00 C ATOM 200 O PRO A 16 -10.014 -6.539 -11.296 1.00 0.00 O ATOM 201 CB PRO A 16 -8.668 -5.566 -8.434 1.00 0.00 C ATOM 202 CG PRO A 16 -9.319 -6.763 -7.832 1.00 0.00 C ATOM 203 CD PRO A 16 -10.793 -6.466 -7.810 1.00 0.00 C ATOM 0 HA PRO A 16 -9.675 -3.955 -9.560 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.727 -5.828 -8.917 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.440 -4.816 -7.676 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.110 -7.657 -8.419 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.943 -6.947 -6.826 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.387 -7.369 -7.949 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.100 -6.026 -6.861 1.00 0.00 H new ATOM 211 N LYS A 17 -8.412 -4.975 -11.511 1.00 0.00 N ATOM 212 CA LYS A 17 -8.023 -5.400 -12.851 1.00 0.00 C ATOM 213 C LYS A 17 -6.506 -5.366 -13.013 1.00 0.00 C ATOM 214 O LYS A 17 -5.814 -4.625 -12.315 1.00 0.00 O ATOM 215 CB LYS A 17 -8.680 -4.505 -13.904 1.00 0.00 C ATOM 216 CG LYS A 17 -10.198 -4.515 -13.848 1.00 0.00 C ATOM 217 CD LYS A 17 -10.789 -3.311 -14.562 1.00 0.00 C ATOM 218 CE LYS A 17 -12.213 -3.581 -15.024 1.00 0.00 C ATOM 219 NZ LYS A 17 -12.621 -2.666 -16.126 1.00 0.00 N ATOM 0 H LYS A 17 -7.879 -4.184 -11.149 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.363 -6.426 -12.993 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.326 -3.482 -13.772 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.359 -4.827 -14.894 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.574 -5.431 -14.304 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.525 -4.519 -12.808 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.779 -2.450 -13.894 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.169 -3.055 -15.421 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.296 -4.614 -15.360 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.896 -3.464 -14.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.597 -2.882 -16.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.566 -1.681 -15.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.985 -2.796 -16.938 1.00 0.00 H new ATOM 233 N CYS A 18 -5.997 -6.171 -13.939 1.00 0.00 N ATOM 234 CA CYS A 18 -4.563 -6.232 -14.195 1.00 0.00 C ATOM 235 C CYS A 18 -3.997 -4.839 -14.457 1.00 0.00 C ATOM 236 O CYS A 18 -4.621 -4.021 -15.131 1.00 0.00 O ATOM 237 CB CYS A 18 -4.275 -7.144 -15.389 1.00 0.00 C ATOM 238 SG CYS A 18 -2.727 -6.753 -16.267 1.00 0.00 S ATOM 0 H CYS A 18 -6.557 -6.791 -14.525 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.078 -6.641 -13.308 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.233 -8.176 -15.042 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.106 -7.078 -16.092 1.00 0.00 H new ATOM 243 N GLY A 19 -2.810 -4.577 -13.917 1.00 0.00 N ATOM 244 CA GLY A 19 -2.180 -3.283 -14.104 1.00 0.00 C ATOM 245 C GLY A 19 -1.498 -3.159 -15.451 1.00 0.00 C ATOM 246 O GLY A 19 -0.435 -2.550 -15.563 1.00 0.00 O ATOM 0 H GLY A 19 -2.274 -5.237 -13.354 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.931 -2.499 -14.007 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.447 -3.121 -13.313 1.00 0.00 H new ATOM 250 N GLY A 20 -2.109 -3.742 -16.479 1.00 0.00 N ATOM 251 CA GLY A 20 -1.538 -3.684 -17.812 1.00 0.00 C ATOM 252 C GLY A 20 -2.597 -3.683 -18.896 1.00 0.00 C ATOM 253 O GLY A 20 -2.499 -2.935 -19.870 1.00 0.00 O ATOM 0 H GLY A 20 -2.989 -4.253 -16.412 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.928 -2.786 -17.904 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.874 -4.536 -17.957 1.00 0.00 H new ATOM 257 N CYS A 21 -3.613 -4.524 -18.730 1.00 0.00 N ATOM 258 CA CYS A 21 -4.694 -4.620 -19.704 1.00 0.00 C ATOM 259 C CYS A 21 -5.984 -4.029 -19.143 1.00 0.00 C ATOM 260 O CYS A 21 -6.942 -3.795 -19.878 1.00 0.00 O ATOM 261 CB CYS A 21 -4.919 -6.079 -20.105 1.00 0.00 C ATOM 262 SG CYS A 21 -3.392 -7.067 -20.204 1.00 0.00 S ATOM 0 H CYS A 21 -3.710 -5.149 -17.930 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.407 -4.049 -20.587 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.593 -6.543 -19.385 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -5.420 -6.106 -21.073 1.00 0.00 H new ATOM 267 N ASN A 22 -6.000 -3.791 -17.835 1.00 0.00 N ATOM 268 CA ASN A 22 -7.173 -3.229 -17.175 1.00 0.00 C ATOM 269 C ASN A 22 -8.363 -4.178 -17.279 1.00 0.00 C ATOM 270 O ASN A 22 -9.506 -3.743 -17.423 1.00 0.00 O ATOM 271 CB ASN A 22 -7.530 -1.875 -17.791 1.00 0.00 C ATOM 272 CG ASN A 22 -6.794 -0.726 -17.130 1.00 0.00 C ATOM 273 OD1 ASN A 22 -5.645 -0.870 -16.710 1.00 0.00 O ATOM 274 ND2 ASN A 22 -7.454 0.422 -17.033 1.00 0.00 N ATOM 0 H ASN A 22 -5.215 -3.978 -17.212 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.934 -3.089 -16.121 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.294 -1.890 -18.855 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.604 -1.712 -17.705 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.010 1.230 -16.597 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.405 0.496 -17.395 1.00 0.00 H new ATOM 281 N ARG A 23 -8.087 -5.475 -17.205 1.00 0.00 N ATOM 282 CA ARG A 23 -9.134 -6.486 -17.292 1.00 0.00 C ATOM 283 C ARG A 23 -9.438 -7.073 -15.916 1.00 0.00 C ATOM 284 O ARG A 23 -8.577 -7.139 -15.039 1.00 0.00 O ATOM 285 CB ARG A 23 -8.719 -7.601 -18.254 1.00 0.00 C ATOM 286 CG ARG A 23 -9.065 -7.313 -19.705 1.00 0.00 C ATOM 287 CD ARG A 23 -9.062 -8.584 -20.541 1.00 0.00 C ATOM 288 NE ARG A 23 -9.904 -8.460 -21.728 1.00 0.00 N ATOM 289 CZ ARG A 23 -10.360 -9.501 -22.416 1.00 0.00 C ATOM 290 NH1 ARG A 23 -10.057 -10.735 -22.038 1.00 0.00 N ATOM 291 NH2 ARG A 23 -11.122 -9.308 -23.486 1.00 0.00 N ATOM 0 H ARG A 23 -7.147 -5.851 -17.085 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.036 -6.007 -17.671 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.644 -7.760 -18.170 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.203 -8.529 -17.951 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.047 -6.842 -19.760 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.348 -6.603 -20.117 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.041 -8.817 -20.843 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.412 -9.418 -19.933 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.155 -7.524 -22.046 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.472 -10.888 -21.216 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.409 -11.532 -22.569 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.358 -8.360 -23.780 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.472 -10.108 -24.014 1.00 0.00 H new ATOM 305 N PRO A 24 -10.691 -7.509 -15.723 1.00 0.00 N ATOM 306 CA PRO A 24 -11.138 -8.099 -14.457 1.00 0.00 C ATOM 307 C PRO A 24 -10.517 -9.468 -14.204 1.00 0.00 C ATOM 308 O PRO A 24 -10.962 -10.474 -14.758 1.00 0.00 O ATOM 309 CB PRO A 24 -12.653 -8.223 -14.638 1.00 0.00 C ATOM 310 CG PRO A 24 -12.852 -8.306 -16.112 1.00 0.00 C ATOM 311 CD PRO A 24 -11.769 -7.462 -16.725 1.00 0.00 C ATOM 0 HA PRO A 24 -10.846 -7.493 -13.600 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.041 -9.109 -14.136 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.174 -7.364 -14.216 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.785 -9.338 -16.457 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.839 -7.939 -16.394 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.443 -7.862 -17.685 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.108 -6.441 -16.903 1.00 0.00 H new ATOM 319 N VAL A 25 -9.488 -9.501 -13.364 1.00 0.00 N ATOM 320 CA VAL A 25 -8.807 -10.748 -13.037 1.00 0.00 C ATOM 321 C VAL A 25 -9.540 -11.500 -11.931 1.00 0.00 C ATOM 322 O VAL A 25 -9.880 -10.927 -10.895 1.00 0.00 O ATOM 323 CB VAL A 25 -7.354 -10.494 -12.594 1.00 0.00 C ATOM 324 CG1 VAL A 25 -6.449 -10.323 -13.804 1.00 0.00 C ATOM 325 CG2 VAL A 25 -7.279 -9.277 -11.685 1.00 0.00 C ATOM 0 H VAL A 25 -9.107 -8.678 -12.897 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.802 -11.354 -13.943 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.007 -11.361 -12.031 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.427 -10.144 -13.471 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.480 -11.227 -14.412 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.791 -9.475 -14.397 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.245 -9.113 -11.382 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.644 -8.400 -12.220 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.894 -9.445 -10.801 1.00 0.00 H new ATOM 335 N LEU A 26 -9.780 -12.787 -12.158 1.00 0.00 N ATOM 336 CA LEU A 26 -10.473 -13.619 -11.181 1.00 0.00 C ATOM 337 C LEU A 26 -9.690 -14.899 -10.904 1.00 0.00 C ATOM 338 O LEU A 26 -9.375 -15.208 -9.755 1.00 0.00 O ATOM 339 CB LEU A 26 -11.877 -13.965 -11.680 1.00 0.00 C ATOM 340 CG LEU A 26 -12.737 -12.785 -12.134 1.00 0.00 C ATOM 341 CD1 LEU A 26 -13.741 -13.230 -13.187 1.00 0.00 C ATOM 342 CD2 LEU A 26 -13.451 -12.157 -10.946 1.00 0.00 C ATOM 0 H LEU A 26 -9.505 -13.277 -13.010 1.00 0.00 H new ATOM 0 HA LEU A 26 -10.553 -13.055 -10.252 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.784 -14.662 -12.513 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.405 -14.489 -10.883 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.084 -12.034 -12.578 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -14.344 -12.377 -13.498 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -13.210 -13.632 -14.049 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -14.390 -14.000 -12.769 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -14.058 -11.319 -11.288 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -14.092 -12.900 -10.472 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.715 -11.801 -10.225 1.00 0.00 H new ATOM 354 N GLU A 27 -9.379 -15.638 -11.964 1.00 0.00 N ATOM 355 CA GLU A 27 -8.631 -16.883 -11.834 1.00 0.00 C ATOM 356 C GLU A 27 -7.185 -16.699 -12.287 1.00 0.00 C ATOM 357 O GLU A 27 -6.914 -16.011 -13.269 1.00 0.00 O ATOM 358 CB GLU A 27 -9.297 -17.991 -12.653 1.00 0.00 C ATOM 359 CG GLU A 27 -9.556 -17.607 -14.100 1.00 0.00 C ATOM 360 CD GLU A 27 -9.845 -18.807 -14.980 1.00 0.00 C ATOM 361 OE1 GLU A 27 -9.039 -19.760 -14.968 1.00 0.00 O ATOM 362 OE2 GLU A 27 -10.879 -18.793 -15.680 1.00 0.00 O ATOM 0 H GLU A 27 -9.633 -15.396 -12.922 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.630 -17.169 -10.782 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.665 -18.879 -12.629 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.243 -18.260 -12.183 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.399 -16.918 -14.144 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.689 -17.075 -14.491 1.00 0.00 H new ATOM 369 N ASN A 28 -6.261 -17.321 -11.562 1.00 0.00 N ATOM 370 CA ASN A 28 -4.843 -17.226 -11.887 1.00 0.00 C ATOM 371 C ASN A 28 -4.389 -15.770 -11.923 1.00 0.00 C ATOM 372 O ASN A 28 -3.764 -15.327 -12.887 1.00 0.00 O ATOM 373 CB ASN A 28 -4.562 -17.893 -13.235 1.00 0.00 C ATOM 374 CG ASN A 28 -4.948 -19.359 -13.247 1.00 0.00 C ATOM 375 OD1 ASN A 28 -5.881 -19.772 -12.557 1.00 0.00 O ATOM 376 ND2 ASN A 28 -4.231 -20.154 -14.032 1.00 0.00 N ATOM 0 H ASN A 28 -6.469 -17.896 -10.746 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.282 -17.743 -11.109 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.111 -17.369 -14.018 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.502 -17.797 -13.470 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.445 -21.150 -14.081 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.467 -19.769 -14.587 1.00 0.00 H new ATOM 383 N TYR A 29 -4.708 -15.031 -10.866 1.00 0.00 N ATOM 384 CA TYR A 29 -4.335 -13.624 -10.777 1.00 0.00 C ATOM 385 C TYR A 29 -3.337 -13.395 -9.645 1.00 0.00 C ATOM 386 O TYR A 29 -3.333 -14.120 -8.649 1.00 0.00 O ATOM 387 CB TYR A 29 -5.577 -12.758 -10.559 1.00 0.00 C ATOM 388 CG TYR A 29 -6.087 -12.777 -9.136 1.00 0.00 C ATOM 389 CD1 TYR A 29 -6.989 -13.746 -8.713 1.00 0.00 C ATOM 390 CD2 TYR A 29 -5.667 -11.826 -8.214 1.00 0.00 C ATOM 391 CE1 TYR A 29 -7.458 -13.766 -7.414 1.00 0.00 C ATOM 392 CE2 TYR A 29 -6.129 -11.840 -6.912 1.00 0.00 C ATOM 393 CZ TYR A 29 -7.025 -12.812 -6.517 1.00 0.00 C ATOM 394 OH TYR A 29 -7.489 -12.829 -5.222 1.00 0.00 O ATOM 0 H TYR A 29 -5.224 -15.383 -10.059 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.862 -13.340 -11.717 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.347 -11.730 -10.840 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.369 -13.100 -11.225 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.329 -14.496 -9.412 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.967 -11.063 -8.521 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.160 -14.525 -7.102 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.791 -11.094 -6.208 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.085 -12.090 -4.720 1.00 0.00 H new ATOM 404 N LEU A 30 -2.494 -12.382 -9.805 1.00 0.00 N ATOM 405 CA LEU A 30 -1.491 -12.055 -8.797 1.00 0.00 C ATOM 406 C LEU A 30 -1.895 -10.813 -8.010 1.00 0.00 C ATOM 407 O LEU A 30 -2.838 -10.112 -8.377 1.00 0.00 O ATOM 408 CB LEU A 30 -0.129 -11.833 -9.458 1.00 0.00 C ATOM 409 CG LEU A 30 0.187 -12.726 -10.659 1.00 0.00 C ATOM 410 CD1 LEU A 30 -0.498 -12.199 -11.910 1.00 0.00 C ATOM 411 CD2 LEU A 30 1.691 -12.820 -10.872 1.00 0.00 C ATOM 0 H LEU A 30 -2.484 -11.772 -10.623 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.420 -12.894 -8.105 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.068 -10.793 -9.778 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.646 -11.981 -8.706 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.194 -13.726 -10.455 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.262 -12.847 -12.754 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.577 -12.184 -11.755 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.147 -11.188 -12.119 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.898 -13.459 -11.730 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.095 -11.825 -11.055 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.159 -13.244 -9.983 1.00 0.00 H new ATOM 423 N SER A 31 -1.173 -10.544 -6.927 1.00 0.00 N ATOM 424 CA SER A 31 -1.457 -9.387 -6.086 1.00 0.00 C ATOM 425 C SER A 31 -0.171 -8.649 -5.725 1.00 0.00 C ATOM 426 O SER A 31 0.539 -9.034 -4.797 1.00 0.00 O ATOM 427 CB SER A 31 -2.184 -9.821 -4.812 1.00 0.00 C ATOM 428 OG SER A 31 -3.589 -9.803 -4.995 1.00 0.00 O ATOM 0 H SER A 31 -0.387 -11.112 -6.611 1.00 0.00 H new ATOM 0 HA SER A 31 -2.099 -8.709 -6.649 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.864 -10.824 -4.531 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.913 -9.158 -3.991 1.00 0.00 H new ATOM 0 HG SER A 31 -4.030 -10.086 -4.167 1.00 0.00 H new ATOM 434 N ALA A 32 0.122 -7.586 -6.467 1.00 0.00 N ATOM 435 CA ALA A 32 1.320 -6.792 -6.225 1.00 0.00 C ATOM 436 C ALA A 32 0.992 -5.303 -6.176 1.00 0.00 C ATOM 437 O ALA A 32 -0.032 -4.866 -6.700 1.00 0.00 O ATOM 438 CB ALA A 32 2.363 -7.069 -7.298 1.00 0.00 C ATOM 0 H ALA A 32 -0.454 -7.255 -7.241 1.00 0.00 H new ATOM 0 HA ALA A 32 1.726 -7.080 -5.255 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.252 -6.469 -7.104 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.628 -8.126 -7.283 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.957 -6.810 -8.276 1.00 0.00 H new ATOM 444 N MET A 33 1.867 -4.530 -5.542 1.00 0.00 N ATOM 445 CA MET A 33 1.670 -3.090 -5.425 1.00 0.00 C ATOM 446 C MET A 33 0.256 -2.772 -4.948 1.00 0.00 C ATOM 447 O MET A 33 -0.381 -1.841 -5.442 1.00 0.00 O ATOM 448 CB MET A 33 1.933 -2.407 -6.769 1.00 0.00 C ATOM 449 CG MET A 33 3.308 -2.705 -7.343 1.00 0.00 C ATOM 450 SD MET A 33 3.447 -2.255 -9.084 1.00 0.00 S ATOM 451 CE MET A 33 5.033 -2.980 -9.495 1.00 0.00 C ATOM 0 H MET A 33 2.719 -4.876 -5.101 1.00 0.00 H new ATOM 0 HA MET A 33 2.377 -2.710 -4.688 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.173 -2.725 -7.483 1.00 0.00 H new ATOM 0 HB3 MET A 33 1.825 -1.329 -6.647 1.00 0.00 H new ATOM 0 HG2 MET A 33 4.061 -2.164 -6.771 1.00 0.00 H new ATOM 0 HG3 MET A 33 3.523 -3.767 -7.228 1.00 0.00 H new ATOM 0 HE1 MET A 33 5.763 -2.188 -9.661 1.00 0.00 H new ATOM 0 HE2 MET A 33 5.366 -3.615 -8.674 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.936 -3.579 -10.401 1.00 0.00 H new ATOM 461 N ASP A 34 -0.228 -3.550 -3.987 1.00 0.00 N ATOM 462 CA ASP A 34 -1.566 -3.351 -3.443 1.00 0.00 C ATOM 463 C ASP A 34 -2.619 -3.441 -4.543 1.00 0.00 C ATOM 464 O ASP A 34 -3.695 -2.852 -4.438 1.00 0.00 O ATOM 465 CB ASP A 34 -1.658 -1.994 -2.742 1.00 0.00 C ATOM 466 CG ASP A 34 -0.604 -1.827 -1.665 1.00 0.00 C ATOM 467 OD1 ASP A 34 0.511 -1.372 -1.993 1.00 0.00 O ATOM 468 OD2 ASP A 34 -0.895 -2.151 -0.495 1.00 0.00 O ATOM 0 H ASP A 34 0.286 -4.325 -3.568 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.757 -4.141 -2.716 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.549 -1.199 -3.480 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -2.648 -1.884 -2.298 1.00 0.00 H new ATOM 473 N THR A 35 -2.302 -4.183 -5.600 1.00 0.00 N ATOM 474 CA THR A 35 -3.219 -4.349 -6.720 1.00 0.00 C ATOM 475 C THR A 35 -3.103 -5.744 -7.324 1.00 0.00 C ATOM 476 O THR A 35 -2.334 -6.577 -6.843 1.00 0.00 O ATOM 477 CB THR A 35 -2.956 -3.303 -7.820 1.00 0.00 C ATOM 478 OG1 THR A 35 -4.166 -3.033 -8.538 1.00 0.00 O ATOM 479 CG2 THR A 35 -1.886 -3.790 -8.786 1.00 0.00 C ATOM 0 H THR A 35 -1.416 -4.679 -5.703 1.00 0.00 H new ATOM 0 HA THR A 35 -4.226 -4.209 -6.327 1.00 0.00 H new ATOM 0 HB THR A 35 -2.604 -2.388 -7.344 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.991 -2.366 -9.234 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.718 -3.035 -9.554 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.958 -3.968 -8.242 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.214 -4.717 -9.255 1.00 0.00 H new ATOM 487 N VAL A 36 -3.871 -5.993 -8.380 1.00 0.00 N ATOM 488 CA VAL A 36 -3.853 -7.288 -9.050 1.00 0.00 C ATOM 489 C VAL A 36 -3.159 -7.196 -10.404 1.00 0.00 C ATOM 490 O VAL A 36 -3.094 -6.125 -11.008 1.00 0.00 O ATOM 491 CB VAL A 36 -5.278 -7.835 -9.252 1.00 0.00 C ATOM 492 CG1 VAL A 36 -6.007 -7.932 -7.920 1.00 0.00 C ATOM 493 CG2 VAL A 36 -6.050 -6.962 -10.229 1.00 0.00 C ATOM 0 H VAL A 36 -4.513 -5.315 -8.790 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.298 -7.970 -8.406 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.207 -8.838 -9.674 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.012 -8.320 -8.083 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.462 -8.602 -7.255 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.069 -6.943 -7.466 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -7.055 -7.363 -10.360 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.113 -5.946 -9.838 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.536 -6.950 -11.190 1.00 0.00 H new ATOM 503 N TRP A 37 -2.642 -8.325 -10.876 1.00 0.00 N ATOM 504 CA TRP A 37 -1.953 -8.372 -12.161 1.00 0.00 C ATOM 505 C TRP A 37 -2.231 -9.687 -12.880 1.00 0.00 C ATOM 506 O TRP A 37 -2.950 -10.546 -12.368 1.00 0.00 O ATOM 507 CB TRP A 37 -0.447 -8.194 -11.961 1.00 0.00 C ATOM 508 CG TRP A 37 -0.080 -6.874 -11.353 1.00 0.00 C ATOM 509 CD1 TRP A 37 -0.082 -6.554 -10.025 1.00 0.00 C ATOM 510 CD2 TRP A 37 0.339 -5.696 -12.051 1.00 0.00 C ATOM 511 NE1 TRP A 37 0.312 -5.249 -9.855 1.00 0.00 N ATOM 512 CE2 TRP A 37 0.577 -4.701 -11.082 1.00 0.00 C ATOM 513 CE3 TRP A 37 0.540 -5.386 -13.398 1.00 0.00 C ATOM 514 CZ2 TRP A 37 1.003 -3.419 -11.422 1.00 0.00 C ATOM 515 CZ3 TRP A 37 0.963 -4.114 -13.733 1.00 0.00 C ATOM 516 CH2 TRP A 37 1.191 -3.143 -12.749 1.00 0.00 C ATOM 0 H TRP A 37 -2.687 -9.220 -10.388 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.330 -7.556 -12.778 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.075 -8.996 -11.323 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.054 -8.294 -12.924 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.353 -7.228 -9.226 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.394 -4.766 -8.960 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.368 -6.127 -14.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.179 -2.669 -10.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.121 -3.864 -14.772 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.521 -2.158 -13.043 1.00 0.00 H new ATOM 527 N HIS A 38 -1.658 -9.839 -14.069 1.00 0.00 N ATOM 528 CA HIS A 38 -1.844 -11.051 -14.859 1.00 0.00 C ATOM 529 C HIS A 38 -0.571 -11.892 -14.872 1.00 0.00 C ATOM 530 O HIS A 38 0.544 -11.373 -14.930 1.00 0.00 O ATOM 531 CB HIS A 38 -2.250 -10.697 -16.289 1.00 0.00 C ATOM 532 CG HIS A 38 -3.731 -10.605 -16.487 1.00 0.00 C ATOM 533 ND1 HIS A 38 -4.328 -9.639 -17.269 1.00 0.00 N ATOM 534 CD2 HIS A 38 -4.738 -11.368 -15.999 1.00 0.00 C ATOM 535 CE1 HIS A 38 -5.638 -9.810 -17.253 1.00 0.00 C ATOM 536 NE2 HIS A 38 -5.913 -10.853 -16.490 1.00 0.00 N ATOM 0 H HIS A 38 -1.061 -9.138 -14.507 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.640 -11.636 -14.398 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.796 -9.744 -16.561 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.847 -11.448 -16.969 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.636 -12.222 -15.346 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.361 -9.201 -17.775 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.846 -11.217 -16.297 1.00 0.00 H new ATOM 544 N PRO A 39 -0.738 -13.222 -14.816 1.00 0.00 N ATOM 545 CA PRO A 39 0.387 -14.162 -14.820 1.00 0.00 C ATOM 546 C PRO A 39 1.098 -14.209 -16.168 1.00 0.00 C ATOM 547 O PRO A 39 1.975 -15.044 -16.388 1.00 0.00 O ATOM 548 CB PRO A 39 -0.275 -15.508 -14.517 1.00 0.00 C ATOM 549 CG PRO A 39 -1.682 -15.351 -14.982 1.00 0.00 C ATOM 550 CD PRO A 39 -2.038 -13.909 -14.746 1.00 0.00 C ATOM 0 HA PRO A 39 1.157 -13.879 -14.103 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.226 -16.322 -15.040 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -0.233 -15.739 -13.453 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.775 -15.608 -16.037 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -2.351 -16.013 -14.432 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.730 -13.537 -15.501 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.516 -13.766 -13.777 1.00 0.00 H new ATOM 558 N GLU A 40 0.714 -13.307 -17.067 1.00 0.00 N ATOM 559 CA GLU A 40 1.316 -13.248 -18.394 1.00 0.00 C ATOM 560 C GLU A 40 1.864 -11.853 -18.681 1.00 0.00 C ATOM 561 O GLU A 40 2.824 -11.693 -19.435 1.00 0.00 O ATOM 562 CB GLU A 40 0.291 -13.635 -19.461 1.00 0.00 C ATOM 563 CG GLU A 40 -0.901 -12.695 -19.529 1.00 0.00 C ATOM 564 CD GLU A 40 -1.810 -12.989 -20.706 1.00 0.00 C ATOM 565 OE1 GLU A 40 -2.601 -13.952 -20.619 1.00 0.00 O ATOM 566 OE2 GLU A 40 -1.730 -12.258 -21.715 1.00 0.00 O ATOM 0 H GLU A 40 -0.010 -12.608 -16.900 1.00 0.00 H new ATOM 0 HA GLU A 40 2.143 -13.957 -18.422 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.782 -13.656 -20.434 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.065 -14.646 -19.261 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.473 -12.773 -18.605 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.545 -11.667 -19.598 1.00 0.00 H new ATOM 573 N CYS A 41 1.246 -10.845 -18.074 1.00 0.00 N ATOM 574 CA CYS A 41 1.669 -9.463 -18.264 1.00 0.00 C ATOM 575 C CYS A 41 2.696 -9.059 -17.211 1.00 0.00 C ATOM 576 O CYS A 41 3.730 -8.471 -17.529 1.00 0.00 O ATOM 577 CB CYS A 41 0.462 -8.525 -18.201 1.00 0.00 C ATOM 578 SG CYS A 41 -1.046 -9.200 -18.969 1.00 0.00 S ATOM 0 H CYS A 41 0.450 -10.960 -17.446 1.00 0.00 H new ATOM 0 HA CYS A 41 2.132 -9.383 -19.247 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.252 -8.291 -17.157 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.719 -7.587 -18.693 1.00 0.00 H new ATOM 583 N PHE A 42 2.404 -9.378 -15.954 1.00 0.00 N ATOM 584 CA PHE A 42 3.301 -9.048 -14.853 1.00 0.00 C ATOM 585 C PHE A 42 4.744 -9.399 -15.204 1.00 0.00 C ATOM 586 O PHE A 42 5.199 -10.518 -14.967 1.00 0.00 O ATOM 587 CB PHE A 42 2.879 -9.790 -13.583 1.00 0.00 C ATOM 588 CG PHE A 42 3.350 -9.130 -12.319 1.00 0.00 C ATOM 589 CD1 PHE A 42 3.099 -7.788 -12.087 1.00 0.00 C ATOM 590 CD2 PHE A 42 4.045 -9.853 -11.362 1.00 0.00 C ATOM 591 CE1 PHE A 42 3.532 -7.178 -10.925 1.00 0.00 C ATOM 592 CE2 PHE A 42 4.480 -9.249 -10.198 1.00 0.00 C ATOM 593 CZ PHE A 42 4.223 -7.910 -9.978 1.00 0.00 C ATOM 0 H PHE A 42 1.553 -9.865 -15.673 1.00 0.00 H new ATOM 0 HA PHE A 42 3.239 -7.974 -14.676 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.792 -9.866 -13.560 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.269 -10.807 -13.619 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.558 -7.211 -12.823 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.249 -10.900 -11.528 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.331 -6.130 -10.757 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.021 -9.824 -9.461 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.561 -7.436 -9.068 1.00 0.00 H new ATOM 603 N VAL A 43 5.461 -8.433 -15.771 1.00 0.00 N ATOM 604 CA VAL A 43 6.852 -8.638 -16.154 1.00 0.00 C ATOM 605 C VAL A 43 7.643 -7.337 -16.068 1.00 0.00 C ATOM 606 O VAL A 43 7.072 -6.260 -15.894 1.00 0.00 O ATOM 607 CB VAL A 43 6.963 -9.200 -17.584 1.00 0.00 C ATOM 608 CG1 VAL A 43 6.145 -10.475 -17.722 1.00 0.00 C ATOM 609 CG2 VAL A 43 6.520 -8.159 -18.601 1.00 0.00 C ATOM 0 H VAL A 43 5.101 -7.501 -15.975 1.00 0.00 H new ATOM 0 HA VAL A 43 7.270 -9.361 -15.454 1.00 0.00 H new ATOM 0 HB VAL A 43 8.007 -9.444 -17.780 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.236 -10.857 -18.739 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.514 -11.222 -17.019 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.098 -10.261 -17.507 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.605 -8.573 -19.606 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.484 -7.881 -18.409 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.154 -7.276 -18.518 1.00 0.00 H new ATOM 619 N CYS A 44 8.962 -7.444 -16.192 1.00 0.00 N ATOM 620 CA CYS A 44 9.833 -6.277 -16.129 1.00 0.00 C ATOM 621 C CYS A 44 9.413 -5.228 -17.154 1.00 0.00 C ATOM 622 O CYS A 44 8.646 -5.514 -18.072 1.00 0.00 O ATOM 623 CB CYS A 44 11.288 -6.686 -16.369 1.00 0.00 C ATOM 624 SG CYS A 44 12.494 -5.352 -16.079 1.00 0.00 S ATOM 0 H CYS A 44 9.451 -8.328 -16.337 1.00 0.00 H new ATOM 0 HA CYS A 44 9.744 -5.843 -15.133 1.00 0.00 H new ATOM 0 HB2 CYS A 44 11.530 -7.527 -15.719 1.00 0.00 H new ATOM 0 HB3 CYS A 44 11.391 -7.037 -17.396 1.00 0.00 H new ATOM 629 N GLY A 45 9.922 -4.010 -16.990 1.00 0.00 N ATOM 630 CA GLY A 45 9.589 -2.937 -17.908 1.00 0.00 C ATOM 631 C GLY A 45 10.633 -2.755 -18.991 1.00 0.00 C ATOM 632 O GLY A 45 10.354 -2.177 -20.042 1.00 0.00 O ATOM 0 H GLY A 45 10.559 -3.748 -16.238 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.624 -3.145 -18.370 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.482 -2.006 -17.351 1.00 0.00 H new ATOM 636 N ASP A 46 11.841 -3.247 -18.735 1.00 0.00 N ATOM 637 CA ASP A 46 12.932 -3.135 -19.696 1.00 0.00 C ATOM 638 C ASP A 46 13.116 -4.440 -20.464 1.00 0.00 C ATOM 639 O ASP A 46 12.909 -4.495 -21.677 1.00 0.00 O ATOM 640 CB ASP A 46 14.232 -2.760 -18.983 1.00 0.00 C ATOM 641 CG ASP A 46 14.171 -1.382 -18.355 1.00 0.00 C ATOM 642 OD1 ASP A 46 13.786 -0.426 -19.059 1.00 0.00 O ATOM 643 OD2 ASP A 46 14.509 -1.259 -17.158 1.00 0.00 O ATOM 0 H ASP A 46 12.089 -3.727 -17.870 1.00 0.00 H new ATOM 0 HA ASP A 46 12.678 -2.349 -20.407 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.446 -3.499 -18.211 1.00 0.00 H new ATOM 0 HB3 ASP A 46 15.057 -2.795 -19.695 1.00 0.00 H new ATOM 648 N CYS A 47 13.507 -5.490 -19.749 1.00 0.00 N ATOM 649 CA CYS A 47 13.721 -6.796 -20.362 1.00 0.00 C ATOM 650 C CYS A 47 12.397 -7.528 -20.559 1.00 0.00 C ATOM 651 O CYS A 47 12.302 -8.459 -21.359 1.00 0.00 O ATOM 652 CB CYS A 47 14.660 -7.640 -19.499 1.00 0.00 C ATOM 653 SG CYS A 47 14.008 -8.015 -17.839 1.00 0.00 S ATOM 0 H CYS A 47 13.682 -5.462 -18.745 1.00 0.00 H new ATOM 0 HA CYS A 47 14.178 -6.640 -21.339 1.00 0.00 H new ATOM 0 HB2 CYS A 47 14.868 -8.577 -20.016 1.00 0.00 H new ATOM 0 HB3 CYS A 47 15.610 -7.116 -19.395 1.00 0.00 H new ATOM 658 N PHE A 48 11.376 -7.101 -19.823 1.00 0.00 N ATOM 659 CA PHE A 48 10.057 -7.716 -19.915 1.00 0.00 C ATOM 660 C PHE A 48 10.131 -9.210 -19.610 1.00 0.00 C ATOM 661 O PHE A 48 9.632 -10.037 -20.373 1.00 0.00 O ATOM 662 CB PHE A 48 9.465 -7.498 -21.309 1.00 0.00 C ATOM 663 CG PHE A 48 9.049 -6.078 -21.567 1.00 0.00 C ATOM 664 CD1 PHE A 48 7.936 -5.543 -20.939 1.00 0.00 C ATOM 665 CD2 PHE A 48 9.771 -5.278 -22.438 1.00 0.00 C ATOM 666 CE1 PHE A 48 7.551 -4.237 -21.176 1.00 0.00 C ATOM 667 CE2 PHE A 48 9.391 -3.971 -22.679 1.00 0.00 C ATOM 668 CZ PHE A 48 8.280 -3.450 -22.046 1.00 0.00 C ATOM 0 H PHE A 48 11.437 -6.331 -19.156 1.00 0.00 H new ATOM 0 HA PHE A 48 9.411 -7.243 -19.175 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.199 -7.795 -22.058 1.00 0.00 H new ATOM 0 HB3 PHE A 48 8.601 -8.150 -21.434 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.363 -6.153 -20.257 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.641 -5.681 -22.935 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.681 -3.832 -20.681 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.962 -3.359 -23.361 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.981 -2.429 -22.231 1.00 0.00 H new ATOM 678 N THR A 49 10.757 -9.548 -18.487 1.00 0.00 N ATOM 679 CA THR A 49 10.898 -10.940 -18.080 1.00 0.00 C ATOM 680 C THR A 49 9.893 -11.300 -16.992 1.00 0.00 C ATOM 681 O THR A 49 9.431 -10.434 -16.250 1.00 0.00 O ATOM 682 CB THR A 49 12.320 -11.234 -17.567 1.00 0.00 C ATOM 683 OG1 THR A 49 12.534 -12.649 -17.499 1.00 0.00 O ATOM 684 CG2 THR A 49 12.539 -10.616 -16.195 1.00 0.00 C ATOM 0 H THR A 49 11.175 -8.876 -17.843 1.00 0.00 H new ATOM 0 HA THR A 49 10.705 -11.548 -18.964 1.00 0.00 H new ATOM 0 HB THR A 49 13.032 -10.793 -18.264 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.441 -12.827 -17.174 1.00 0.00 H new ATOM 0 HG21 THR A 49 13.550 -10.837 -15.854 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.405 -9.536 -16.257 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.819 -11.031 -15.490 1.00 0.00 H new ATOM 692 N SER A 50 9.560 -12.584 -16.901 1.00 0.00 N ATOM 693 CA SER A 50 8.607 -13.058 -15.905 1.00 0.00 C ATOM 694 C SER A 50 9.231 -13.056 -14.513 1.00 0.00 C ATOM 695 O SER A 50 10.437 -13.247 -14.360 1.00 0.00 O ATOM 696 CB SER A 50 8.125 -14.466 -16.258 1.00 0.00 C ATOM 697 OG SER A 50 7.040 -14.856 -15.434 1.00 0.00 O ATOM 0 H SER A 50 9.936 -13.314 -17.505 1.00 0.00 H new ATOM 0 HA SER A 50 7.754 -12.380 -15.903 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.821 -14.498 -17.304 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.946 -15.174 -16.143 1.00 0.00 H new ATOM 0 HG SER A 50 6.750 -15.759 -15.681 1.00 0.00 H new ATOM 703 N PHE A 51 8.399 -12.839 -13.499 1.00 0.00 N ATOM 704 CA PHE A 51 8.868 -12.811 -12.118 1.00 0.00 C ATOM 705 C PHE A 51 8.556 -14.127 -11.411 1.00 0.00 C ATOM 706 O PHE A 51 8.139 -14.139 -10.253 1.00 0.00 O ATOM 707 CB PHE A 51 8.224 -11.648 -11.362 1.00 0.00 C ATOM 708 CG PHE A 51 8.561 -10.301 -11.934 1.00 0.00 C ATOM 709 CD1 PHE A 51 9.814 -9.743 -11.738 1.00 0.00 C ATOM 710 CD2 PHE A 51 7.624 -9.592 -12.669 1.00 0.00 C ATOM 711 CE1 PHE A 51 10.127 -8.504 -12.264 1.00 0.00 C ATOM 712 CE2 PHE A 51 7.931 -8.352 -13.197 1.00 0.00 C ATOM 713 CZ PHE A 51 9.184 -7.807 -12.994 1.00 0.00 C ATOM 0 H PHE A 51 7.397 -12.680 -13.608 1.00 0.00 H new ATOM 0 HA PHE A 51 9.949 -12.673 -12.130 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.142 -11.776 -11.368 1.00 0.00 H new ATOM 0 HB3 PHE A 51 8.543 -11.681 -10.320 1.00 0.00 H new ATOM 0 HD1 PHE A 51 10.555 -10.283 -11.167 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.643 -10.013 -12.831 1.00 0.00 H new ATOM 0 HE1 PHE A 51 11.108 -8.081 -12.104 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.192 -7.810 -13.768 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.426 -6.838 -13.405 1.00 0.00 H new ATOM 723 N SER A 52 8.761 -15.235 -12.118 1.00 0.00 N ATOM 724 CA SER A 52 8.498 -16.556 -11.561 1.00 0.00 C ATOM 725 C SER A 52 9.091 -16.684 -10.161 1.00 0.00 C ATOM 726 O SER A 52 8.407 -17.081 -9.217 1.00 0.00 O ATOM 727 CB SER A 52 9.075 -17.641 -12.472 1.00 0.00 C ATOM 728 OG SER A 52 8.377 -17.696 -13.704 1.00 0.00 O ATOM 0 H SER A 52 9.108 -15.243 -13.077 1.00 0.00 H new ATOM 0 HA SER A 52 7.418 -16.685 -11.492 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.131 -17.442 -12.657 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.016 -18.608 -11.973 1.00 0.00 H new ATOM 0 HG SER A 52 8.766 -18.396 -14.269 1.00 0.00 H new ATOM 734 N THR A 53 10.370 -16.343 -10.033 1.00 0.00 N ATOM 735 CA THR A 53 11.057 -16.420 -8.750 1.00 0.00 C ATOM 736 C THR A 53 10.130 -16.027 -7.606 1.00 0.00 C ATOM 737 O THR A 53 10.076 -16.702 -6.578 1.00 0.00 O ATOM 738 CB THR A 53 12.301 -15.512 -8.724 1.00 0.00 C ATOM 739 OG1 THR A 53 11.916 -14.149 -8.934 1.00 0.00 O ATOM 740 CG2 THR A 53 13.301 -15.932 -9.790 1.00 0.00 C ATOM 0 H THR A 53 10.951 -16.011 -10.803 1.00 0.00 H new ATOM 0 HA THR A 53 11.370 -17.456 -8.620 1.00 0.00 H new ATOM 0 HB THR A 53 12.774 -15.610 -7.747 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.712 -13.578 -8.914 1.00 0.00 H new ATOM 0 HG21 THR A 53 14.171 -15.276 -9.752 1.00 0.00 H new ATOM 0 HG22 THR A 53 13.614 -16.960 -9.610 1.00 0.00 H new ATOM 0 HG23 THR A 53 12.836 -15.861 -10.773 1.00 0.00 H new ATOM 748 N GLY A 54 9.401 -14.931 -7.791 1.00 0.00 N ATOM 749 CA GLY A 54 8.485 -14.468 -6.765 1.00 0.00 C ATOM 750 C GLY A 54 8.878 -13.115 -6.204 1.00 0.00 C ATOM 751 O GLY A 54 8.032 -12.239 -6.027 1.00 0.00 O ATOM 0 H GLY A 54 9.428 -14.356 -8.633 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.479 -14.407 -7.181 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.452 -15.198 -5.956 1.00 0.00 H new ATOM 755 N SER A 55 10.166 -12.945 -5.923 1.00 0.00 N ATOM 756 CA SER A 55 10.669 -11.691 -5.374 1.00 0.00 C ATOM 757 C SER A 55 10.771 -10.625 -6.460 1.00 0.00 C ATOM 758 O SER A 55 11.696 -10.637 -7.273 1.00 0.00 O ATOM 759 CB SER A 55 12.037 -11.907 -4.724 1.00 0.00 C ATOM 760 OG SER A 55 12.983 -12.373 -5.670 1.00 0.00 O ATOM 0 H SER A 55 10.880 -13.659 -6.066 1.00 0.00 H new ATOM 0 HA SER A 55 9.965 -11.346 -4.616 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.387 -10.972 -4.286 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.947 -12.627 -3.910 1.00 0.00 H new ATOM 0 HG SER A 55 12.828 -11.933 -6.532 1.00 0.00 H new ATOM 766 N PHE A 56 9.815 -9.703 -6.468 1.00 0.00 N ATOM 767 CA PHE A 56 9.795 -8.629 -7.454 1.00 0.00 C ATOM 768 C PHE A 56 10.147 -7.291 -6.809 1.00 0.00 C ATOM 769 O PHE A 56 9.895 -7.076 -5.623 1.00 0.00 O ATOM 770 CB PHE A 56 8.420 -8.542 -8.118 1.00 0.00 C ATOM 771 CG PHE A 56 7.450 -7.669 -7.374 1.00 0.00 C ATOM 772 CD1 PHE A 56 6.702 -8.178 -6.324 1.00 0.00 C ATOM 773 CD2 PHE A 56 7.285 -6.338 -7.725 1.00 0.00 C ATOM 774 CE1 PHE A 56 5.809 -7.377 -5.638 1.00 0.00 C ATOM 775 CE2 PHE A 56 6.393 -5.533 -7.042 1.00 0.00 C ATOM 776 CZ PHE A 56 5.654 -6.053 -5.998 1.00 0.00 C ATOM 0 H PHE A 56 9.043 -9.678 -5.802 1.00 0.00 H new ATOM 0 HA PHE A 56 10.543 -8.854 -8.214 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.538 -8.159 -9.131 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.002 -9.545 -8.203 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.818 -9.213 -6.039 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.860 -5.926 -8.541 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.233 -7.786 -4.821 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.274 -4.497 -7.325 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.956 -5.425 -5.464 1.00 0.00 H new ATOM 786 N PHE A 57 10.732 -6.396 -7.598 1.00 0.00 N ATOM 787 CA PHE A 57 11.120 -5.080 -7.105 1.00 0.00 C ATOM 788 C PHE A 57 10.245 -3.990 -7.717 1.00 0.00 C ATOM 789 O PHE A 57 10.039 -3.954 -8.929 1.00 0.00 O ATOM 790 CB PHE A 57 12.592 -4.807 -7.423 1.00 0.00 C ATOM 791 CG PHE A 57 13.545 -5.610 -6.585 1.00 0.00 C ATOM 792 CD1 PHE A 57 13.896 -6.899 -6.953 1.00 0.00 C ATOM 793 CD2 PHE A 57 14.091 -5.076 -5.428 1.00 0.00 C ATOM 794 CE1 PHE A 57 14.772 -7.640 -6.184 1.00 0.00 C ATOM 795 CE2 PHE A 57 14.968 -5.813 -4.655 1.00 0.00 C ATOM 796 CZ PHE A 57 15.310 -7.096 -5.033 1.00 0.00 C ATOM 0 H PHE A 57 10.948 -6.558 -8.582 1.00 0.00 H new ATOM 0 HA PHE A 57 10.981 -5.069 -6.024 1.00 0.00 H new ATOM 0 HB2 PHE A 57 12.774 -5.024 -8.475 1.00 0.00 H new ATOM 0 HB3 PHE A 57 12.797 -3.746 -7.276 1.00 0.00 H new ATOM 0 HD1 PHE A 57 13.480 -7.329 -7.852 1.00 0.00 H new ATOM 0 HD2 PHE A 57 13.828 -4.073 -5.127 1.00 0.00 H new ATOM 0 HE1 PHE A 57 15.036 -8.644 -6.482 1.00 0.00 H new ATOM 0 HE2 PHE A 57 15.386 -5.385 -3.755 1.00 0.00 H new ATOM 0 HZ PHE A 57 15.996 -7.673 -4.431 1.00 0.00 H new ATOM 806 N GLU A 58 9.734 -3.104 -6.868 1.00 0.00 N ATOM 807 CA GLU A 58 8.880 -2.014 -7.325 1.00 0.00 C ATOM 808 C GLU A 58 9.661 -0.705 -7.399 1.00 0.00 C ATOM 809 O GLU A 58 10.359 -0.331 -6.455 1.00 0.00 O ATOM 810 CB GLU A 58 7.679 -1.851 -6.392 1.00 0.00 C ATOM 811 CG GLU A 58 6.662 -0.833 -6.880 1.00 0.00 C ATOM 812 CD GLU A 58 5.870 -0.210 -5.747 1.00 0.00 C ATOM 813 OE1 GLU A 58 5.603 -0.917 -4.752 1.00 0.00 O ATOM 814 OE2 GLU A 58 5.517 0.982 -5.854 1.00 0.00 O ATOM 0 H GLU A 58 9.896 -3.120 -5.861 1.00 0.00 H new ATOM 0 HA GLU A 58 8.523 -2.262 -8.325 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.187 -2.816 -6.275 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.034 -1.553 -5.405 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.177 -0.047 -7.433 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.976 -1.316 -7.576 1.00 0.00 H new ATOM 821 N LEU A 59 9.540 -0.013 -8.527 1.00 0.00 N ATOM 822 CA LEU A 59 10.235 1.254 -8.725 1.00 0.00 C ATOM 823 C LEU A 59 9.280 2.322 -9.250 1.00 0.00 C ATOM 824 O LEU A 59 9.041 2.417 -10.454 1.00 0.00 O ATOM 825 CB LEU A 59 11.400 1.072 -9.699 1.00 0.00 C ATOM 826 CG LEU A 59 12.441 2.192 -9.717 1.00 0.00 C ATOM 827 CD1 LEU A 59 13.343 2.103 -8.496 1.00 0.00 C ATOM 828 CD2 LEU A 59 13.264 2.135 -10.996 1.00 0.00 C ATOM 0 H LEU A 59 8.967 -0.308 -9.318 1.00 0.00 H new ATOM 0 HA LEU A 59 10.624 1.582 -7.761 1.00 0.00 H new ATOM 0 HB2 LEU A 59 11.906 0.137 -9.458 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.993 0.965 -10.705 1.00 0.00 H new ATOM 0 HG LEU A 59 11.918 3.148 -9.687 1.00 0.00 H new ATOM 0 HD11 LEU A 59 14.077 2.908 -8.527 1.00 0.00 H new ATOM 0 HD12 LEU A 59 12.741 2.195 -7.592 1.00 0.00 H new ATOM 0 HD13 LEU A 59 13.858 1.142 -8.493 1.00 0.00 H new ATOM 0 HD21 LEU A 59 14.000 2.939 -10.991 1.00 0.00 H new ATOM 0 HD22 LEU A 59 13.776 1.175 -11.056 1.00 0.00 H new ATOM 0 HD23 LEU A 59 12.606 2.250 -11.857 1.00 0.00 H new ATOM 840 N ASP A 60 8.739 3.124 -8.340 1.00 0.00 N ATOM 841 CA ASP A 60 7.813 4.187 -8.711 1.00 0.00 C ATOM 842 C ASP A 60 6.516 3.609 -9.268 1.00 0.00 C ATOM 843 O ASP A 60 5.955 4.129 -10.231 1.00 0.00 O ATOM 844 CB ASP A 60 8.456 5.115 -9.743 1.00 0.00 C ATOM 845 CG ASP A 60 7.916 6.530 -9.666 1.00 0.00 C ATOM 846 OD1 ASP A 60 6.699 6.688 -9.439 1.00 0.00 O ATOM 847 OD2 ASP A 60 8.711 7.479 -9.833 1.00 0.00 O ATOM 0 H ASP A 60 8.926 3.058 -7.339 1.00 0.00 H new ATOM 0 HA ASP A 60 7.579 4.760 -7.814 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.535 5.132 -9.589 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.283 4.717 -10.743 1.00 0.00 H new ATOM 852 N GLY A 61 6.045 2.528 -8.654 1.00 0.00 N ATOM 853 CA GLY A 61 4.818 1.896 -9.102 1.00 0.00 C ATOM 854 C GLY A 61 4.977 1.206 -10.443 1.00 0.00 C ATOM 855 O GLY A 61 4.091 1.278 -11.294 1.00 0.00 O ATOM 0 H GLY A 61 6.491 2.079 -7.854 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.496 1.168 -8.358 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.031 2.647 -9.174 1.00 0.00 H new ATOM 859 N ARG A 62 6.110 0.538 -10.631 1.00 0.00 N ATOM 860 CA ARG A 62 6.384 -0.165 -11.879 1.00 0.00 C ATOM 861 C ARG A 62 7.176 -1.443 -11.621 1.00 0.00 C ATOM 862 O ARG A 62 8.213 -1.436 -10.958 1.00 0.00 O ATOM 863 CB ARG A 62 7.156 0.741 -12.841 1.00 0.00 C ATOM 864 CG ARG A 62 6.280 1.756 -13.556 1.00 0.00 C ATOM 865 CD ARG A 62 7.090 2.612 -14.517 1.00 0.00 C ATOM 866 NE ARG A 62 6.290 3.683 -15.104 1.00 0.00 N ATOM 867 CZ ARG A 62 6.518 4.196 -16.308 1.00 0.00 C ATOM 868 NH1 ARG A 62 7.518 3.738 -17.049 1.00 0.00 N ATOM 869 NH2 ARG A 62 5.746 5.169 -16.774 1.00 0.00 N ATOM 0 H ARG A 62 6.853 0.469 -9.936 1.00 0.00 H new ATOM 0 HA ARG A 62 5.430 -0.435 -12.332 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.931 1.270 -12.286 1.00 0.00 H new ATOM 0 HB3 ARG A 62 7.661 0.123 -13.583 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.493 1.237 -14.104 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.789 2.396 -12.822 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.941 3.043 -13.989 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.492 1.983 -15.311 1.00 0.00 H new ATOM 0 HE ARG A 62 5.513 4.058 -14.560 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.114 2.990 -16.695 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.691 4.134 -17.973 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.976 5.525 -16.208 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.923 5.562 -17.699 1.00 0.00 H new ATOM 883 N PRO A 63 6.678 -2.567 -12.157 1.00 0.00 N ATOM 884 CA PRO A 63 7.323 -3.874 -11.998 1.00 0.00 C ATOM 885 C PRO A 63 8.634 -3.970 -12.771 1.00 0.00 C ATOM 886 O PRO A 63 8.665 -3.778 -13.987 1.00 0.00 O ATOM 887 CB PRO A 63 6.292 -4.850 -12.570 1.00 0.00 C ATOM 888 CG PRO A 63 5.494 -4.039 -13.531 1.00 0.00 C ATOM 889 CD PRO A 63 5.446 -2.649 -12.959 1.00 0.00 C ATOM 0 HA PRO A 63 7.589 -4.074 -10.960 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.776 -5.690 -13.068 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.662 -5.265 -11.784 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.955 -4.039 -14.519 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.490 -4.448 -13.648 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.426 -1.892 -13.743 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.557 -2.497 -12.347 1.00 0.00 H new ATOM 897 N PHE A 64 9.715 -4.270 -12.059 1.00 0.00 N ATOM 898 CA PHE A 64 11.029 -4.392 -12.678 1.00 0.00 C ATOM 899 C PHE A 64 11.799 -5.573 -12.093 1.00 0.00 C ATOM 900 O PHE A 64 11.460 -6.081 -11.024 1.00 0.00 O ATOM 901 CB PHE A 64 11.829 -3.102 -12.486 1.00 0.00 C ATOM 902 CG PHE A 64 11.330 -1.957 -13.321 1.00 0.00 C ATOM 903 CD1 PHE A 64 11.441 -1.990 -14.701 1.00 0.00 C ATOM 904 CD2 PHE A 64 10.751 -0.849 -12.725 1.00 0.00 C ATOM 905 CE1 PHE A 64 10.982 -0.939 -15.473 1.00 0.00 C ATOM 906 CE2 PHE A 64 10.291 0.205 -13.491 1.00 0.00 C ATOM 907 CZ PHE A 64 10.407 0.161 -14.866 1.00 0.00 C ATOM 0 H PHE A 64 9.707 -4.433 -11.052 1.00 0.00 H new ATOM 0 HA PHE A 64 10.885 -4.567 -13.744 1.00 0.00 H new ATOM 0 HB2 PHE A 64 11.795 -2.816 -11.435 1.00 0.00 H new ATOM 0 HB3 PHE A 64 12.874 -3.292 -12.731 1.00 0.00 H new ATOM 0 HD1 PHE A 64 11.891 -2.847 -15.180 1.00 0.00 H new ATOM 0 HD2 PHE A 64 10.658 -0.808 -11.650 1.00 0.00 H new ATOM 0 HE1 PHE A 64 11.073 -0.978 -16.548 1.00 0.00 H new ATOM 0 HE2 PHE A 64 9.841 1.063 -13.014 1.00 0.00 H new ATOM 0 HZ PHE A 64 10.049 0.985 -15.466 1.00 0.00 H new ATOM 917 N CYS A 65 12.836 -6.005 -12.802 1.00 0.00 N ATOM 918 CA CYS A 65 13.655 -7.126 -12.356 1.00 0.00 C ATOM 919 C CYS A 65 14.906 -6.633 -11.635 1.00 0.00 C ATOM 920 O CYS A 65 15.616 -5.758 -12.131 1.00 0.00 O ATOM 921 CB CYS A 65 14.050 -8.001 -13.547 1.00 0.00 C ATOM 922 SG CYS A 65 15.402 -7.316 -14.557 1.00 0.00 S ATOM 0 H CYS A 65 13.130 -5.595 -13.689 1.00 0.00 H new ATOM 0 HA CYS A 65 13.065 -7.720 -11.657 1.00 0.00 H new ATOM 0 HB2 CYS A 65 14.347 -8.983 -13.180 1.00 0.00 H new ATOM 0 HB3 CYS A 65 13.176 -8.149 -14.181 1.00 0.00 H new ATOM 927 N GLU A 66 15.170 -7.201 -10.463 1.00 0.00 N ATOM 928 CA GLU A 66 16.335 -6.818 -9.674 1.00 0.00 C ATOM 929 C GLU A 66 17.477 -6.360 -10.577 1.00 0.00 C ATOM 930 O GLU A 66 17.982 -5.245 -10.441 1.00 0.00 O ATOM 931 CB GLU A 66 16.797 -7.990 -8.804 1.00 0.00 C ATOM 932 CG GLU A 66 17.889 -7.620 -7.815 1.00 0.00 C ATOM 933 CD GLU A 66 18.484 -8.831 -7.123 1.00 0.00 C ATOM 934 OE1 GLU A 66 17.850 -9.347 -6.180 1.00 0.00 O ATOM 935 OE2 GLU A 66 19.585 -9.262 -7.527 1.00 0.00 O ATOM 0 H GLU A 66 14.593 -7.928 -10.039 1.00 0.00 H new ATOM 0 HA GLU A 66 16.048 -5.987 -9.030 1.00 0.00 H new ATOM 0 HB2 GLU A 66 15.941 -8.385 -8.256 1.00 0.00 H new ATOM 0 HB3 GLU A 66 17.159 -8.790 -9.450 1.00 0.00 H new ATOM 0 HG2 GLU A 66 18.679 -7.080 -8.337 1.00 0.00 H new ATOM 0 HG3 GLU A 66 17.481 -6.942 -7.066 1.00 0.00 H new ATOM 942 N LEU A 67 17.879 -7.228 -11.499 1.00 0.00 N ATOM 943 CA LEU A 67 18.961 -6.915 -12.425 1.00 0.00 C ATOM 944 C LEU A 67 18.898 -5.455 -12.862 1.00 0.00 C ATOM 945 O LEU A 67 19.859 -4.703 -12.695 1.00 0.00 O ATOM 946 CB LEU A 67 18.892 -7.829 -13.649 1.00 0.00 C ATOM 947 CG LEU A 67 19.716 -7.391 -14.861 1.00 0.00 C ATOM 948 CD1 LEU A 67 21.190 -7.693 -14.642 1.00 0.00 C ATOM 949 CD2 LEU A 67 19.212 -8.075 -16.124 1.00 0.00 C ATOM 0 H LEU A 67 17.471 -8.155 -11.625 1.00 0.00 H new ATOM 0 HA LEU A 67 19.907 -7.080 -11.909 1.00 0.00 H new ATOM 0 HB2 LEU A 67 19.220 -8.825 -13.353 1.00 0.00 H new ATOM 0 HB3 LEU A 67 17.849 -7.915 -13.955 1.00 0.00 H new ATOM 0 HG LEU A 67 19.601 -6.314 -14.984 1.00 0.00 H new ATOM 0 HD11 LEU A 67 21.760 -7.375 -15.515 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.544 -7.157 -13.762 1.00 0.00 H new ATOM 0 HD13 LEU A 67 21.324 -8.764 -14.493 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.810 -7.752 -16.976 1.00 0.00 H new ATOM 0 HD22 LEU A 67 19.296 -9.156 -16.011 1.00 0.00 H new ATOM 0 HD23 LEU A 67 18.168 -7.808 -16.291 1.00 0.00 H new ATOM 961 N HIS A 68 17.759 -5.058 -13.421 1.00 0.00 N ATOM 962 CA HIS A 68 17.569 -3.687 -13.879 1.00 0.00 C ATOM 963 C HIS A 68 17.241 -2.763 -12.710 1.00 0.00 C ATOM 964 O HIS A 68 17.880 -1.727 -12.526 1.00 0.00 O ATOM 965 CB HIS A 68 16.451 -3.625 -14.921 1.00 0.00 C ATOM 966 CG HIS A 68 16.919 -3.896 -16.318 1.00 0.00 C ATOM 967 ND1 HIS A 68 16.312 -4.812 -17.151 1.00 0.00 N ATOM 968 CD2 HIS A 68 17.942 -3.364 -17.028 1.00 0.00 C ATOM 969 CE1 HIS A 68 16.941 -4.833 -18.312 1.00 0.00 C ATOM 970 NE2 HIS A 68 17.934 -3.963 -18.263 1.00 0.00 N ATOM 0 H HIS A 68 16.954 -5.667 -13.568 1.00 0.00 H new ATOM 0 HA HIS A 68 18.500 -3.351 -14.335 1.00 0.00 H new ATOM 0 HB2 HIS A 68 15.680 -4.349 -14.658 1.00 0.00 H new ATOM 0 HB3 HIS A 68 15.988 -2.639 -14.887 1.00 0.00 H new ATOM 0 HD2 HIS A 68 18.635 -2.609 -16.686 1.00 0.00 H new ATOM 0 HE1 HIS A 68 16.687 -5.455 -19.157 1.00 0.00 H new ATOM 0 HE2 HIS A 68 18.589 -3.768 -19.020 1.00 0.00 H new ATOM 978 N TYR A 69 16.241 -3.145 -11.923 1.00 0.00 N ATOM 979 CA TYR A 69 15.827 -2.350 -10.773 1.00 0.00 C ATOM 980 C TYR A 69 17.020 -1.637 -10.145 1.00 0.00 C ATOM 981 O TYR A 69 16.933 -0.467 -9.770 1.00 0.00 O ATOM 982 CB TYR A 69 15.143 -3.238 -9.732 1.00 0.00 C ATOM 983 CG TYR A 69 14.800 -2.514 -8.450 1.00 0.00 C ATOM 984 CD1 TYR A 69 13.725 -1.635 -8.392 1.00 0.00 C ATOM 985 CD2 TYR A 69 15.550 -2.708 -7.296 1.00 0.00 C ATOM 986 CE1 TYR A 69 13.408 -0.970 -7.223 1.00 0.00 C ATOM 987 CE2 TYR A 69 15.239 -2.049 -6.123 1.00 0.00 C ATOM 988 CZ TYR A 69 14.168 -1.181 -6.092 1.00 0.00 C ATOM 989 OH TYR A 69 13.855 -0.521 -4.925 1.00 0.00 O ATOM 0 H TYR A 69 15.702 -4.000 -12.061 1.00 0.00 H new ATOM 0 HA TYR A 69 15.119 -1.597 -11.120 1.00 0.00 H new ATOM 0 HB2 TYR A 69 14.230 -3.650 -10.162 1.00 0.00 H new ATOM 0 HB3 TYR A 69 15.795 -4.080 -9.500 1.00 0.00 H new ATOM 0 HD1 TYR A 69 13.127 -1.469 -9.276 1.00 0.00 H new ATOM 0 HD2 TYR A 69 16.391 -3.386 -7.317 1.00 0.00 H new ATOM 0 HE1 TYR A 69 12.570 -0.289 -7.195 1.00 0.00 H new ATOM 0 HE2 TYR A 69 15.831 -2.213 -5.235 1.00 0.00 H new ATOM 0 HH TYR A 69 14.240 -1.003 -4.163 1.00 0.00 H new ATOM 999 N HIS A 70 18.136 -2.351 -10.034 1.00 0.00 N ATOM 1000 CA HIS A 70 19.350 -1.787 -9.452 1.00 0.00 C ATOM 1001 C HIS A 70 20.010 -0.807 -10.417 1.00 0.00 C ATOM 1002 O HIS A 70 20.381 0.303 -10.033 1.00 0.00 O ATOM 1003 CB HIS A 70 20.331 -2.902 -9.088 1.00 0.00 C ATOM 1004 CG HIS A 70 20.027 -3.564 -7.780 1.00 0.00 C ATOM 1005 ND1 HIS A 70 19.741 -2.861 -6.629 1.00 0.00 N ATOM 1006 CD2 HIS A 70 19.962 -4.874 -7.445 1.00 0.00 C ATOM 1007 CE1 HIS A 70 19.516 -3.710 -5.642 1.00 0.00 C ATOM 1008 NE2 HIS A 70 19.644 -4.938 -6.111 1.00 0.00 N ATOM 0 H HIS A 70 18.225 -3.320 -10.339 1.00 0.00 H new ATOM 0 HA HIS A 70 19.073 -1.247 -8.547 1.00 0.00 H new ATOM 0 HB2 HIS A 70 20.322 -3.654 -9.877 1.00 0.00 H new ATOM 0 HB3 HIS A 70 21.339 -2.490 -9.051 1.00 0.00 H new ATOM 0 HD2 HIS A 70 20.129 -5.713 -8.104 1.00 0.00 H new ATOM 0 HE1 HIS A 70 19.269 -3.445 -4.625 1.00 0.00 H new ATOM 0 HE2 HIS A 70 19.526 -5.795 -5.570 1.00 0.00 H new ATOM 1016 N HIS A 71 20.153 -1.224 -11.671 1.00 0.00 N ATOM 1017 CA HIS A 71 20.768 -0.382 -12.691 1.00 0.00 C ATOM 1018 C HIS A 71 20.208 1.036 -12.636 1.00 0.00 C ATOM 1019 O HIS A 71 20.960 2.011 -12.639 1.00 0.00 O ATOM 1020 CB HIS A 71 20.541 -0.979 -14.080 1.00 0.00 C ATOM 1021 CG HIS A 71 20.923 -0.058 -15.198 1.00 0.00 C ATOM 1022 ND1 HIS A 71 20.040 0.828 -15.778 1.00 0.00 N ATOM 1023 CD2 HIS A 71 22.103 0.113 -15.840 1.00 0.00 C ATOM 1024 CE1 HIS A 71 20.659 1.502 -16.731 1.00 0.00 C ATOM 1025 NE2 HIS A 71 21.912 1.088 -16.788 1.00 0.00 N ATOM 0 H HIS A 71 19.852 -2.139 -12.005 1.00 0.00 H new ATOM 0 HA HIS A 71 21.839 -0.338 -12.493 1.00 0.00 H new ATOM 0 HB2 HIS A 71 21.115 -1.901 -14.168 1.00 0.00 H new ATOM 0 HB3 HIS A 71 19.489 -1.247 -14.184 1.00 0.00 H new ATOM 0 HD2 HIS A 71 23.023 -0.418 -15.643 1.00 0.00 H new ATOM 0 HE1 HIS A 71 20.216 2.262 -17.357 1.00 0.00 H new ATOM 0 HE2 HIS A 71 22.623 1.436 -17.432 1.00 0.00 H new ATOM 1033 N ARG A 72 18.884 1.142 -12.586 1.00 0.00 N ATOM 1034 CA ARG A 72 18.224 2.441 -12.533 1.00 0.00 C ATOM 1035 C ARG A 72 18.541 3.159 -11.224 1.00 0.00 C ATOM 1036 O ARG A 72 18.867 4.346 -11.219 1.00 0.00 O ATOM 1037 CB ARG A 72 16.711 2.274 -12.681 1.00 0.00 C ATOM 1038 CG ARG A 72 16.237 2.265 -14.126 1.00 0.00 C ATOM 1039 CD ARG A 72 14.824 1.718 -14.245 1.00 0.00 C ATOM 1040 NE ARG A 72 14.111 2.288 -15.386 1.00 0.00 N ATOM 1041 CZ ARG A 72 14.413 2.019 -16.651 1.00 0.00 C ATOM 1042 NH1 ARG A 72 15.409 1.191 -16.936 1.00 0.00 N ATOM 1043 NH2 ARG A 72 13.718 2.577 -17.633 1.00 0.00 N ATOM 0 H ARG A 72 18.248 0.345 -12.581 1.00 0.00 H new ATOM 0 HA ARG A 72 18.599 3.045 -13.359 1.00 0.00 H new ATOM 0 HB2 ARG A 72 16.408 1.343 -12.203 1.00 0.00 H new ATOM 0 HB3 ARG A 72 16.211 3.083 -12.149 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.271 3.278 -14.528 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.914 1.660 -14.729 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.862 0.633 -14.346 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.274 1.933 -13.329 1.00 0.00 H new ATOM 0 HE ARG A 72 13.339 2.928 -15.201 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.945 0.759 -16.183 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.639 0.986 -17.908 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.951 3.213 -17.417 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.951 2.370 -18.604 1.00 0.00 H new ATOM 1057 N ARG A 73 18.442 2.430 -10.117 1.00 0.00 N ATOM 1058 CA ARG A 73 18.717 2.998 -8.802 1.00 0.00 C ATOM 1059 C ARG A 73 20.010 3.807 -8.819 1.00 0.00 C ATOM 1060 O ARG A 73 20.043 4.954 -8.374 1.00 0.00 O ATOM 1061 CB ARG A 73 18.810 1.888 -7.753 1.00 0.00 C ATOM 1062 CG ARG A 73 17.480 1.556 -7.097 1.00 0.00 C ATOM 1063 CD ARG A 73 17.590 0.330 -6.205 1.00 0.00 C ATOM 1064 NE ARG A 73 18.023 0.674 -4.853 1.00 0.00 N ATOM 1065 CZ ARG A 73 17.184 0.953 -3.861 1.00 0.00 C ATOM 1066 NH1 ARG A 73 15.875 0.929 -4.069 1.00 0.00 N ATOM 1067 NH2 ARG A 73 17.655 1.257 -2.659 1.00 0.00 N ATOM 0 H ARG A 73 18.174 1.446 -10.104 1.00 0.00 H new ATOM 0 HA ARG A 73 17.895 3.665 -8.543 1.00 0.00 H new ATOM 0 HB2 ARG A 73 19.208 0.989 -8.223 1.00 0.00 H new ATOM 0 HB3 ARG A 73 19.521 2.187 -6.983 1.00 0.00 H new ATOM 0 HG2 ARG A 73 17.142 2.408 -6.507 1.00 0.00 H new ATOM 0 HG3 ARG A 73 16.727 1.382 -7.866 1.00 0.00 H new ATOM 0 HD2 ARG A 73 16.624 -0.173 -6.159 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.296 -0.375 -6.643 1.00 0.00 H new ATOM 0 HE ARG A 73 19.024 0.702 -4.660 1.00 0.00 H new ATOM 0 HH11 ARG A 73 15.510 0.696 -4.992 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.233 1.144 -3.306 1.00 0.00 H new ATOM 0 HH21 ARG A 73 18.662 1.277 -2.496 1.00 0.00 H new ATOM 0 HH22 ARG A 73 17.011 1.471 -1.898 1.00 0.00 H new ATOM 1081 N GLY A 74 21.075 3.201 -9.335 1.00 0.00 N ATOM 1082 CA GLY A 74 22.357 3.879 -9.399 1.00 0.00 C ATOM 1083 C GLY A 74 23.517 2.960 -9.071 1.00 0.00 C ATOM 1084 O GLY A 74 23.444 2.168 -8.131 1.00 0.00 O ATOM 0 H GLY A 74 21.073 2.252 -9.710 1.00 0.00 H new ATOM 0 HA2 GLY A 74 22.496 4.292 -10.398 1.00 0.00 H new ATOM 0 HA3 GLY A 74 22.355 4.719 -8.704 1.00 0.00 H new ATOM 1088 N SER A 75 24.589 3.063 -9.849 1.00 0.00 N ATOM 1089 CA SER A 75 25.768 2.230 -9.640 1.00 0.00 C ATOM 1090 C SER A 75 26.976 3.083 -9.266 1.00 0.00 C ATOM 1091 O SER A 75 27.742 3.508 -10.129 1.00 0.00 O ATOM 1092 CB SER A 75 26.074 1.417 -10.900 1.00 0.00 C ATOM 1093 OG SER A 75 27.158 0.530 -10.684 1.00 0.00 O ATOM 0 H SER A 75 24.666 3.715 -10.630 1.00 0.00 H new ATOM 0 HA SER A 75 25.559 1.547 -8.817 1.00 0.00 H new ATOM 0 HB2 SER A 75 25.190 0.851 -11.195 1.00 0.00 H new ATOM 0 HB3 SER A 75 26.310 2.091 -11.723 1.00 0.00 H new ATOM 0 HG SER A 75 27.333 0.021 -11.503 1.00 0.00 H new ATOM 1099 N GLY A 76 27.140 3.329 -7.969 1.00 0.00 N ATOM 1100 CA GLY A 76 28.256 4.130 -7.501 1.00 0.00 C ATOM 1101 C GLY A 76 27.838 5.164 -6.475 1.00 0.00 C ATOM 1102 O GLY A 76 26.810 5.031 -5.811 1.00 0.00 O ATOM 0 H GLY A 76 26.520 2.988 -7.235 1.00 0.00 H new ATOM 0 HA2 GLY A 76 29.011 3.476 -7.066 1.00 0.00 H new ATOM 0 HA3 GLY A 76 28.720 4.632 -8.350 1.00 0.00 H new ATOM 1106 N PRO A 77 28.648 6.224 -6.334 1.00 0.00 N ATOM 1107 CA PRO A 77 28.377 7.306 -5.382 1.00 0.00 C ATOM 1108 C PRO A 77 27.178 8.153 -5.793 1.00 0.00 C ATOM 1109 O PRO A 77 26.290 8.422 -4.984 1.00 0.00 O ATOM 1110 CB PRO A 77 29.660 8.140 -5.419 1.00 0.00 C ATOM 1111 CG PRO A 77 30.248 7.871 -6.761 1.00 0.00 C ATOM 1112 CD PRO A 77 29.890 6.449 -7.093 1.00 0.00 C ATOM 0 HA PRO A 77 28.129 6.925 -4.391 1.00 0.00 H new ATOM 0 HB2 PRO A 77 29.447 9.201 -5.286 1.00 0.00 H new ATOM 0 HB3 PRO A 77 30.344 7.850 -4.622 1.00 0.00 H new ATOM 0 HG2 PRO A 77 29.849 8.558 -7.507 1.00 0.00 H new ATOM 0 HG3 PRO A 77 31.329 8.008 -6.748 1.00 0.00 H new ATOM 0 HD2 PRO A 77 29.737 6.313 -8.164 1.00 0.00 H new ATOM 0 HD3 PRO A 77 30.676 5.756 -6.792 1.00 0.00 H new ATOM 1120 N SER A 78 27.159 8.571 -7.054 1.00 0.00 N ATOM 1121 CA SER A 78 26.070 9.391 -7.572 1.00 0.00 C ATOM 1122 C SER A 78 24.721 8.882 -7.071 1.00 0.00 C ATOM 1123 O SER A 78 24.496 7.675 -6.979 1.00 0.00 O ATOM 1124 CB SER A 78 26.089 9.397 -9.101 1.00 0.00 C ATOM 1125 OG SER A 78 26.988 10.375 -9.596 1.00 0.00 O ATOM 0 H SER A 78 27.886 8.355 -7.737 1.00 0.00 H new ATOM 0 HA SER A 78 26.212 10.409 -7.211 1.00 0.00 H new ATOM 0 HB2 SER A 78 26.379 8.413 -9.468 1.00 0.00 H new ATOM 0 HB3 SER A 78 25.086 9.595 -9.480 1.00 0.00 H new ATOM 0 HG SER A 78 26.983 10.358 -10.576 1.00 0.00 H new ATOM 1131 N SER A 79 23.827 9.811 -6.750 1.00 0.00 N ATOM 1132 CA SER A 79 22.502 9.458 -6.255 1.00 0.00 C ATOM 1133 C SER A 79 21.435 9.744 -7.307 1.00 0.00 C ATOM 1134 O SER A 79 21.650 10.532 -8.227 1.00 0.00 O ATOM 1135 CB SER A 79 22.190 10.233 -4.973 1.00 0.00 C ATOM 1136 OG SER A 79 23.083 9.878 -3.932 1.00 0.00 O ATOM 0 H SER A 79 23.996 10.814 -6.824 1.00 0.00 H new ATOM 0 HA SER A 79 22.496 8.390 -6.037 1.00 0.00 H new ATOM 0 HB2 SER A 79 22.259 11.304 -5.166 1.00 0.00 H new ATOM 0 HB3 SER A 79 21.165 10.030 -4.662 1.00 0.00 H new ATOM 0 HG SER A 79 22.864 10.388 -3.125 1.00 0.00 H new ATOM 1142 N GLY A 80 20.283 9.095 -7.165 1.00 0.00 N ATOM 1143 CA GLY A 80 19.199 9.292 -8.109 1.00 0.00 C ATOM 1144 C GLY A 80 18.162 8.189 -8.039 1.00 0.00 C ATOM 1145 O GLY A 80 18.443 7.074 -8.476 1.00 0.00 O ATOM 0 H GLY A 80 20.082 8.436 -6.413 1.00 0.00 H new ATOM 0 HA2 GLY A 80 18.719 10.251 -7.912 1.00 0.00 H new ATOM 0 HA3 GLY A 80 19.605 9.341 -9.119 1.00 0.00 H new TER 1149 GLY A 80 HETATM 1150 ZN ZN A 201 -2.899 -8.056 -18.178 1.00 0.00 ZN HETATM 1151 ZN ZN A 401 14.610 -6.239 -16.460 1.00 0.00 ZN