USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 544 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 64 HIS HD1 : A 64 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 68 HIS HD1 : A 68 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0872 (180deg=0) USER MOD Single : A 2 SER OG : rot 17:sc= 0.414! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 16:sc= 0.802 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.368 K(o=-0.37,f=-1.4) USER MOD Single : A 9 GLN : amide:sc= -0.0338 K(o=-0.034,f=-1.7!) USER MOD Single : A 10 MET CE :methyl 177:sc= 0 (180deg=-0.00999) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0113 X(o=-0.011,f=-0.16) USER MOD Single : A 19 HIS : no HD1:sc= 0.439 K(o=0.44,f=-2.6!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN :FLIP amide:sc= -2.83 F(o=-5.4!,f=-2.8) USER MOD Single : A 33 GLN : amide:sc= -2.62 K(o=-2.6,f=-8!) USER MOD Single : A 38 HIS : no HD1:sc= -2.65 X(o=-2.7,f=-2.6) USER MOD Single : A 40 GLN :FLIP amide:sc= -1.57 F(o=-2.4,f=-1.6) USER MOD Single : A 46 MET CE :methyl -164:sc= -1.35 (180deg=-2.4!) USER MOD Single : A 47 SER OG : rot 21:sc= 0.751 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -93:sc= 1.07 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.666 USER MOD Single : A 59 HIS :FLIP no HD1:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 61 THR OG1 : rot -139:sc= -0.247 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.468 K(o=-0.47,f=-6.9!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 42:sc= 0.568 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.784 -15.829 15.749 1.00 0.00 N ATOM 2 CA GLY A 1 10.226 -15.014 14.632 1.00 0.00 C ATOM 3 C GLY A 1 11.732 -15.029 14.463 1.00 0.00 C ATOM 4 O GLY A 1 12.458 -15.490 15.343 1.00 0.00 O ATOM 0 H1 GLY A 1 9.232 -16.635 15.393 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.612 -16.180 16.272 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.191 -15.256 16.383 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.757 -15.374 13.716 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.890 -13.988 14.780 1.00 0.00 H new ATOM 8 N SER A 2 12.203 -14.525 13.327 1.00 0.00 N ATOM 9 CA SER A 2 13.633 -14.487 13.042 1.00 0.00 C ATOM 10 C SER A 2 14.275 -13.244 13.649 1.00 0.00 C ATOM 11 O SER A 2 13.851 -12.119 13.382 1.00 0.00 O ATOM 12 CB SER A 2 13.874 -14.514 11.531 1.00 0.00 C ATOM 13 OG SER A 2 13.532 -13.273 10.938 1.00 0.00 O ATOM 0 H SER A 2 11.615 -14.137 12.589 1.00 0.00 H new ATOM 0 HA SER A 2 14.092 -15.368 13.492 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.921 -14.740 11.331 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.284 -15.311 11.080 1.00 0.00 H new ATOM 0 HG SER A 2 13.474 -12.584 11.632 1.00 0.00 H new ATOM 19 N SER A 3 15.301 -13.455 14.468 1.00 0.00 N ATOM 20 CA SER A 3 16.000 -12.352 15.117 1.00 0.00 C ATOM 21 C SER A 3 16.342 -11.258 14.111 1.00 0.00 C ATOM 22 O SER A 3 16.543 -11.528 12.927 1.00 0.00 O ATOM 23 CB SER A 3 17.277 -12.858 15.792 1.00 0.00 C ATOM 24 OG SER A 3 17.783 -11.901 16.707 1.00 0.00 O ATOM 0 H SER A 3 15.666 -14.379 14.698 1.00 0.00 H new ATOM 0 HA SER A 3 15.339 -11.930 15.874 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.070 -13.792 16.315 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.030 -13.076 15.035 1.00 0.00 H new ATOM 0 HG SER A 3 18.598 -12.248 17.126 1.00 0.00 H new ATOM 30 N GLY A 4 16.406 -10.020 14.591 1.00 0.00 N ATOM 31 CA GLY A 4 16.723 -8.902 13.721 1.00 0.00 C ATOM 32 C GLY A 4 17.616 -7.879 14.394 1.00 0.00 C ATOM 33 O GLY A 4 18.077 -8.090 15.516 1.00 0.00 O ATOM 0 H GLY A 4 16.244 -9.771 15.567 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.215 -9.273 12.822 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.799 -8.420 13.403 1.00 0.00 H new ATOM 37 N SER A 5 17.862 -6.768 13.708 1.00 0.00 N ATOM 38 CA SER A 5 18.711 -5.710 14.244 1.00 0.00 C ATOM 39 C SER A 5 17.900 -4.446 14.512 1.00 0.00 C ATOM 40 O SER A 5 17.329 -3.855 13.596 1.00 0.00 O ATOM 41 CB SER A 5 19.852 -5.401 13.272 1.00 0.00 C ATOM 42 OG SER A 5 19.373 -4.722 12.124 1.00 0.00 O ATOM 0 H SER A 5 17.486 -6.577 12.780 1.00 0.00 H new ATOM 0 HA SER A 5 19.131 -6.058 15.188 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.605 -4.791 13.772 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.340 -6.328 12.973 1.00 0.00 H new ATOM 0 HG SER A 5 18.475 -4.372 12.302 1.00 0.00 H new ATOM 48 N SER A 6 17.853 -4.038 15.777 1.00 0.00 N ATOM 49 CA SER A 6 17.108 -2.847 16.168 1.00 0.00 C ATOM 50 C SER A 6 18.042 -1.651 16.327 1.00 0.00 C ATOM 51 O SER A 6 19.234 -1.810 16.587 1.00 0.00 O ATOM 52 CB SER A 6 16.355 -3.098 17.476 1.00 0.00 C ATOM 53 OG SER A 6 15.273 -2.194 17.623 1.00 0.00 O ATOM 0 H SER A 6 18.322 -4.514 16.548 1.00 0.00 H new ATOM 0 HA SER A 6 16.389 -2.622 15.380 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.982 -4.122 17.494 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.038 -2.993 18.319 1.00 0.00 H new ATOM 0 HG SER A 6 14.807 -2.376 18.466 1.00 0.00 H new ATOM 59 N GLY A 7 17.490 -0.452 16.169 1.00 0.00 N ATOM 60 CA GLY A 7 18.286 0.754 16.298 1.00 0.00 C ATOM 61 C GLY A 7 17.471 2.013 16.079 1.00 0.00 C ATOM 62 O GLY A 7 16.617 2.061 15.194 1.00 0.00 O ATOM 0 H GLY A 7 16.505 -0.295 15.954 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.736 0.784 17.290 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.104 0.725 15.578 1.00 0.00 H new ATOM 66 N GLN A 8 17.733 3.035 16.888 1.00 0.00 N ATOM 67 CA GLN A 8 17.015 4.299 16.780 1.00 0.00 C ATOM 68 C GLN A 8 17.599 5.340 17.730 1.00 0.00 C ATOM 69 O GLN A 8 18.141 4.999 18.780 1.00 0.00 O ATOM 70 CB GLN A 8 15.529 4.093 17.080 1.00 0.00 C ATOM 71 CG GLN A 8 15.238 3.813 18.546 1.00 0.00 C ATOM 72 CD GLN A 8 15.929 2.562 19.050 1.00 0.00 C ATOM 73 OE1 GLN A 8 15.424 1.451 18.885 1.00 0.00 O ATOM 74 NE2 GLN A 8 17.091 2.735 19.668 1.00 0.00 N ATOM 0 H GLN A 8 18.437 3.012 17.625 1.00 0.00 H new ATOM 0 HA GLN A 8 17.125 4.664 15.759 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.978 4.982 16.772 1.00 0.00 H new ATOM 0 HB3 GLN A 8 15.157 3.263 16.479 1.00 0.00 H new ATOM 0 HG2 GLN A 8 15.557 4.666 19.145 1.00 0.00 H new ATOM 0 HG3 GLN A 8 14.162 3.710 18.686 1.00 0.00 H new ATOM 0 HE21 GLN A 8 17.473 3.674 19.783 1.00 0.00 H new ATOM 0 HE22 GLN A 8 17.602 1.929 20.028 1.00 0.00 H new ATOM 83 N GLN A 9 17.483 6.609 17.353 1.00 0.00 N ATOM 84 CA GLN A 9 18.000 7.699 18.171 1.00 0.00 C ATOM 85 C GLN A 9 16.955 8.796 18.340 1.00 0.00 C ATOM 86 O GLN A 9 15.902 8.767 17.703 1.00 0.00 O ATOM 87 CB GLN A 9 19.268 8.279 17.543 1.00 0.00 C ATOM 88 CG GLN A 9 19.003 9.132 16.313 1.00 0.00 C ATOM 89 CD GLN A 9 20.256 9.388 15.499 1.00 0.00 C ATOM 90 OE1 GLN A 9 21.256 8.684 15.640 1.00 0.00 O ATOM 91 NE2 GLN A 9 20.207 10.399 14.639 1.00 0.00 N ATOM 0 H GLN A 9 17.036 6.907 16.486 1.00 0.00 H new ATOM 0 HA GLN A 9 18.241 7.298 19.155 1.00 0.00 H new ATOM 0 HB2 GLN A 9 19.789 8.881 18.287 1.00 0.00 H new ATOM 0 HB3 GLN A 9 19.935 7.461 17.271 1.00 0.00 H new ATOM 0 HG2 GLN A 9 18.262 8.637 15.686 1.00 0.00 H new ATOM 0 HG3 GLN A 9 18.574 10.085 16.622 1.00 0.00 H new ATOM 0 HE21 GLN A 9 19.357 10.956 14.555 1.00 0.00 H new ATOM 0 HE22 GLN A 9 21.019 10.618 14.063 1.00 0.00 H new ATOM 100 N MET A 10 17.252 9.762 19.203 1.00 0.00 N ATOM 101 CA MET A 10 16.337 10.870 19.455 1.00 0.00 C ATOM 102 C MET A 10 16.617 12.032 18.508 1.00 0.00 C ATOM 103 O MET A 10 17.412 12.918 18.817 1.00 0.00 O ATOM 104 CB MET A 10 16.459 11.339 20.906 1.00 0.00 C ATOM 105 CG MET A 10 15.837 10.381 21.909 1.00 0.00 C ATOM 106 SD MET A 10 16.250 10.796 23.615 1.00 0.00 S ATOM 107 CE MET A 10 15.231 12.247 23.867 1.00 0.00 C ATOM 0 H MET A 10 18.119 9.800 19.740 1.00 0.00 H new ATOM 0 HA MET A 10 15.321 10.517 19.278 1.00 0.00 H new ATOM 0 HB2 MET A 10 17.513 11.472 21.149 1.00 0.00 H new ATOM 0 HB3 MET A 10 15.984 12.315 21.005 1.00 0.00 H new ATOM 0 HG2 MET A 10 14.754 10.389 21.789 1.00 0.00 H new ATOM 0 HG3 MET A 10 16.174 9.367 21.694 1.00 0.00 H new ATOM 0 HE1 MET A 10 15.336 12.591 24.896 1.00 0.00 H new ATOM 0 HE2 MET A 10 15.548 13.037 23.186 1.00 0.00 H new ATOM 0 HE3 MET A 10 14.188 11.997 23.672 1.00 0.00 H new ATOM 117 N GLN A 11 15.958 12.020 17.353 1.00 0.00 N ATOM 118 CA GLN A 11 16.137 13.073 16.361 1.00 0.00 C ATOM 119 C GLN A 11 14.947 13.132 15.409 1.00 0.00 C ATOM 120 O GLN A 11 14.090 12.248 15.415 1.00 0.00 O ATOM 121 CB GLN A 11 17.426 12.844 15.571 1.00 0.00 C ATOM 122 CG GLN A 11 18.053 14.125 15.045 1.00 0.00 C ATOM 123 CD GLN A 11 19.515 13.954 14.682 1.00 0.00 C ATOM 124 OE1 GLN A 11 20.357 13.708 15.546 1.00 0.00 O ATOM 125 NE2 GLN A 11 19.825 14.081 13.397 1.00 0.00 N ATOM 0 H GLN A 11 15.296 11.293 17.082 1.00 0.00 H new ATOM 0 HA GLN A 11 16.206 14.025 16.887 1.00 0.00 H new ATOM 0 HB2 GLN A 11 18.147 12.332 16.208 1.00 0.00 H new ATOM 0 HB3 GLN A 11 17.215 12.181 14.732 1.00 0.00 H new ATOM 0 HG2 GLN A 11 17.502 14.461 14.167 1.00 0.00 H new ATOM 0 HG3 GLN A 11 17.959 14.907 15.799 1.00 0.00 H new ATOM 0 HE21 GLN A 11 19.095 14.285 12.714 1.00 0.00 H new ATOM 0 HE22 GLN A 11 20.793 13.974 13.093 1.00 0.00 H new ATOM 134 N ALA A 12 14.901 14.179 14.591 1.00 0.00 N ATOM 135 CA ALA A 12 13.817 14.352 13.632 1.00 0.00 C ATOM 136 C ALA A 12 14.198 15.353 12.547 1.00 0.00 C ATOM 137 O ALA A 12 14.727 16.425 12.839 1.00 0.00 O ATOM 138 CB ALA A 12 12.549 14.799 14.344 1.00 0.00 C ATOM 0 H ALA A 12 15.602 14.920 14.574 1.00 0.00 H new ATOM 0 HA ALA A 12 13.632 13.391 13.153 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.748 14.924 13.616 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.259 14.046 15.077 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.731 15.747 14.850 1.00 0.00 H new ATOM 144 N GLU A 13 13.928 14.995 11.296 1.00 0.00 N ATOM 145 CA GLU A 13 14.245 15.863 10.168 1.00 0.00 C ATOM 146 C GLU A 13 13.360 15.540 8.968 1.00 0.00 C ATOM 147 O GLU A 13 12.670 14.521 8.948 1.00 0.00 O ATOM 148 CB GLU A 13 15.719 15.718 9.783 1.00 0.00 C ATOM 149 CG GLU A 13 16.679 16.090 10.900 1.00 0.00 C ATOM 150 CD GLU A 13 18.129 16.066 10.455 1.00 0.00 C ATOM 151 OE1 GLU A 13 18.577 15.014 9.953 1.00 0.00 O ATOM 152 OE2 GLU A 13 18.814 17.098 10.609 1.00 0.00 O ATOM 0 H GLU A 13 13.491 14.110 11.038 1.00 0.00 H new ATOM 0 HA GLU A 13 14.056 16.893 10.470 1.00 0.00 H new ATOM 0 HB2 GLU A 13 15.907 14.688 9.482 1.00 0.00 H new ATOM 0 HB3 GLU A 13 15.923 16.346 8.916 1.00 0.00 H new ATOM 0 HG2 GLU A 13 16.433 17.085 11.269 1.00 0.00 H new ATOM 0 HG3 GLU A 13 16.547 15.399 11.733 1.00 0.00 H new ATOM 159 N SER A 14 13.386 16.416 7.969 1.00 0.00 N ATOM 160 CA SER A 14 12.583 16.228 6.766 1.00 0.00 C ATOM 161 C SER A 14 13.344 15.408 5.728 1.00 0.00 C ATOM 162 O SER A 14 14.494 15.705 5.407 1.00 0.00 O ATOM 163 CB SER A 14 12.188 17.582 6.173 1.00 0.00 C ATOM 164 OG SER A 14 11.008 17.474 5.396 1.00 0.00 O ATOM 0 H SER A 14 13.954 17.263 7.969 1.00 0.00 H new ATOM 0 HA SER A 14 11.680 15.684 7.043 1.00 0.00 H new ATOM 0 HB2 SER A 14 12.034 18.303 6.976 1.00 0.00 H new ATOM 0 HB3 SER A 14 13.001 17.963 5.555 1.00 0.00 H new ATOM 0 HG SER A 14 10.776 18.353 5.030 1.00 0.00 H new ATOM 170 N GLY A 15 12.691 14.373 5.206 1.00 0.00 N ATOM 171 CA GLY A 15 13.320 13.526 4.210 1.00 0.00 C ATOM 172 C GLY A 15 12.437 12.366 3.794 1.00 0.00 C ATOM 173 O GLY A 15 12.022 12.276 2.639 1.00 0.00 O ATOM 0 H GLY A 15 11.738 14.107 5.455 1.00 0.00 H new ATOM 0 HA2 GLY A 15 13.566 14.124 3.333 1.00 0.00 H new ATOM 0 HA3 GLY A 15 14.259 13.140 4.607 1.00 0.00 H new ATOM 177 N PHE A 16 12.150 11.475 4.738 1.00 0.00 N ATOM 178 CA PHE A 16 11.313 10.314 4.463 1.00 0.00 C ATOM 179 C PHE A 16 10.181 10.206 5.481 1.00 0.00 C ATOM 180 O PHE A 16 10.310 10.656 6.619 1.00 0.00 O ATOM 181 CB PHE A 16 12.154 9.036 4.481 1.00 0.00 C ATOM 182 CG PHE A 16 12.729 8.677 3.140 1.00 0.00 C ATOM 183 CD1 PHE A 16 13.781 9.403 2.607 1.00 0.00 C ATOM 184 CD2 PHE A 16 12.216 7.615 2.414 1.00 0.00 C ATOM 185 CE1 PHE A 16 14.313 9.075 1.374 1.00 0.00 C ATOM 186 CE2 PHE A 16 12.744 7.282 1.180 1.00 0.00 C ATOM 187 CZ PHE A 16 13.793 8.014 0.659 1.00 0.00 C ATOM 0 H PHE A 16 12.485 11.535 5.700 1.00 0.00 H new ATOM 0 HA PHE A 16 10.876 10.439 3.472 1.00 0.00 H new ATOM 0 HB2 PHE A 16 12.968 9.156 5.196 1.00 0.00 H new ATOM 0 HB3 PHE A 16 11.538 8.210 4.836 1.00 0.00 H new ATOM 0 HD1 PHE A 16 14.190 10.235 3.161 1.00 0.00 H new ATOM 0 HD2 PHE A 16 11.395 7.041 2.816 1.00 0.00 H new ATOM 0 HE1 PHE A 16 15.135 9.648 0.970 1.00 0.00 H new ATOM 0 HE2 PHE A 16 12.337 6.450 0.624 1.00 0.00 H new ATOM 0 HZ PHE A 16 14.206 7.757 -0.305 1.00 0.00 H new ATOM 197 N VAL A 17 9.071 9.606 5.062 1.00 0.00 N ATOM 198 CA VAL A 17 7.917 9.437 5.936 1.00 0.00 C ATOM 199 C VAL A 17 7.851 8.020 6.493 1.00 0.00 C ATOM 200 O VAL A 17 7.988 7.045 5.754 1.00 0.00 O ATOM 201 CB VAL A 17 6.602 9.747 5.195 1.00 0.00 C ATOM 202 CG1 VAL A 17 5.409 9.545 6.117 1.00 0.00 C ATOM 203 CG2 VAL A 17 6.624 11.164 4.642 1.00 0.00 C ATOM 0 H VAL A 17 8.947 9.229 4.122 1.00 0.00 H new ATOM 0 HA VAL A 17 8.038 10.142 6.759 1.00 0.00 H new ATOM 0 HB VAL A 17 6.505 9.056 4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.489 9.769 5.576 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.386 8.511 6.461 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.496 10.211 6.976 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.688 11.366 4.122 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.744 11.873 5.462 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.456 11.270 3.946 1.00 0.00 H new ATOM 213 N GLN A 18 7.641 7.913 7.801 1.00 0.00 N ATOM 214 CA GLN A 18 7.557 6.614 8.458 1.00 0.00 C ATOM 215 C GLN A 18 6.124 6.308 8.880 1.00 0.00 C ATOM 216 O GLN A 18 5.650 6.798 9.905 1.00 0.00 O ATOM 217 CB GLN A 18 8.480 6.575 9.677 1.00 0.00 C ATOM 218 CG GLN A 18 8.497 7.872 10.469 1.00 0.00 C ATOM 219 CD GLN A 18 8.804 7.656 11.938 1.00 0.00 C ATOM 220 OE1 GLN A 18 8.163 6.844 12.605 1.00 0.00 O ATOM 221 NE2 GLN A 18 9.791 8.382 12.450 1.00 0.00 N ATOM 0 H GLN A 18 7.526 8.710 8.427 1.00 0.00 H new ATOM 0 HA GLN A 18 7.876 5.854 7.745 1.00 0.00 H new ATOM 0 HB2 GLN A 18 8.168 5.763 10.333 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.494 6.347 9.348 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.241 8.544 10.042 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.529 8.365 10.373 1.00 0.00 H new ATOM 0 HE21 GLN A 18 10.296 9.044 11.861 1.00 0.00 H new ATOM 0 HE22 GLN A 18 10.044 8.278 13.433 1.00 0.00 H new ATOM 230 N HIS A 19 5.438 5.495 8.082 1.00 0.00 N ATOM 231 CA HIS A 19 4.058 5.124 8.374 1.00 0.00 C ATOM 232 C HIS A 19 4.001 4.060 9.466 1.00 0.00 C ATOM 233 O HIS A 19 4.469 2.937 9.278 1.00 0.00 O ATOM 234 CB HIS A 19 3.368 4.611 7.109 1.00 0.00 C ATOM 235 CG HIS A 19 3.506 5.532 5.936 1.00 0.00 C ATOM 236 ND1 HIS A 19 2.572 6.498 5.624 1.00 0.00 N ATOM 237 CD2 HIS A 19 4.476 5.632 4.998 1.00 0.00 C ATOM 238 CE1 HIS A 19 2.962 7.151 4.544 1.00 0.00 C ATOM 239 NE2 HIS A 19 4.115 6.645 4.144 1.00 0.00 N ATOM 0 H HIS A 19 5.815 5.081 7.229 1.00 0.00 H new ATOM 0 HA HIS A 19 3.536 6.012 8.729 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.784 3.638 6.847 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.309 4.459 7.319 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.369 5.027 4.933 1.00 0.00 H new ATOM 0 HE1 HIS A 19 2.429 7.961 4.069 1.00 0.00 H new ATOM 0 HE2 HIS A 19 4.650 6.956 3.333 1.00 0.00 H new ATOM 247 N VAL A 20 3.425 4.422 10.608 1.00 0.00 N ATOM 248 CA VAL A 20 3.306 3.499 11.730 1.00 0.00 C ATOM 249 C VAL A 20 1.979 2.750 11.687 1.00 0.00 C ATOM 250 O VAL A 20 0.929 3.339 11.434 1.00 0.00 O ATOM 251 CB VAL A 20 3.424 4.235 13.078 1.00 0.00 C ATOM 252 CG1 VAL A 20 3.293 3.256 14.234 1.00 0.00 C ATOM 253 CG2 VAL A 20 4.741 4.993 13.156 1.00 0.00 C ATOM 0 H VAL A 20 3.034 5.348 10.780 1.00 0.00 H new ATOM 0 HA VAL A 20 4.126 2.786 11.641 1.00 0.00 H new ATOM 0 HB VAL A 20 2.610 4.957 13.152 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.379 3.794 15.178 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.322 2.763 14.185 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.084 2.509 14.169 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.808 5.507 14.115 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.570 4.292 13.061 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.789 5.723 12.348 1.00 0.00 H new ATOM 263 N GLY A 21 2.033 1.445 11.938 1.00 0.00 N ATOM 264 CA GLY A 21 0.828 0.636 11.924 1.00 0.00 C ATOM 265 C GLY A 21 0.686 -0.170 10.648 1.00 0.00 C ATOM 266 O GLY A 21 0.193 -1.298 10.669 1.00 0.00 O ATOM 0 H GLY A 21 2.890 0.934 12.151 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.838 -0.041 12.778 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.042 1.283 12.040 1.00 0.00 H new ATOM 270 N PHE A 22 1.116 0.411 9.533 1.00 0.00 N ATOM 271 CA PHE A 22 1.032 -0.260 8.240 1.00 0.00 C ATOM 272 C PHE A 22 2.248 -1.152 8.010 1.00 0.00 C ATOM 273 O PHE A 22 3.386 -0.742 8.239 1.00 0.00 O ATOM 274 CB PHE A 22 0.920 0.770 7.114 1.00 0.00 C ATOM 275 CG PHE A 22 -0.275 1.671 7.243 1.00 0.00 C ATOM 276 CD1 PHE A 22 -1.520 1.263 6.794 1.00 0.00 C ATOM 277 CD2 PHE A 22 -0.152 2.928 7.813 1.00 0.00 C ATOM 278 CE1 PHE A 22 -2.621 2.090 6.911 1.00 0.00 C ATOM 279 CE2 PHE A 22 -1.249 3.760 7.934 1.00 0.00 C ATOM 280 CZ PHE A 22 -2.485 3.341 7.481 1.00 0.00 C ATOM 0 H PHE A 22 1.526 1.344 9.498 1.00 0.00 H new ATOM 0 HA PHE A 22 0.140 -0.886 8.241 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.824 1.379 7.098 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.870 0.248 6.158 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.632 0.286 6.347 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.812 3.261 8.167 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.586 1.759 6.557 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.140 4.737 8.382 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.343 3.990 7.572 1.00 0.00 H new ATOM 290 N LYS A 23 1.999 -2.376 7.556 1.00 0.00 N ATOM 291 CA LYS A 23 3.072 -3.327 7.293 1.00 0.00 C ATOM 292 C LYS A 23 2.940 -3.924 5.895 1.00 0.00 C ATOM 293 O LYS A 23 1.879 -4.426 5.521 1.00 0.00 O ATOM 294 CB LYS A 23 3.059 -4.444 8.339 1.00 0.00 C ATOM 295 CG LYS A 23 3.929 -5.633 7.971 1.00 0.00 C ATOM 296 CD LYS A 23 3.129 -6.710 7.257 1.00 0.00 C ATOM 297 CE LYS A 23 3.765 -8.081 7.425 1.00 0.00 C ATOM 298 NZ LYS A 23 2.747 -9.167 7.440 1.00 0.00 N ATOM 0 H LYS A 23 1.063 -2.732 7.363 1.00 0.00 H new ATOM 0 HA LYS A 23 4.020 -2.792 7.353 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.396 -4.040 9.294 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.034 -4.785 8.481 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.747 -5.302 7.331 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.378 -6.050 8.873 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.112 -6.729 7.649 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.057 -6.469 6.196 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.470 -8.256 6.613 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.335 -8.105 8.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.221 -10.085 7.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.088 -9.015 8.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.219 -9.161 6.544 1.00 0.00 H new ATOM 312 N CYS A 24 4.023 -3.868 5.128 1.00 0.00 N ATOM 313 CA CYS A 24 4.029 -4.404 3.772 1.00 0.00 C ATOM 314 C CYS A 24 3.699 -5.894 3.774 1.00 0.00 C ATOM 315 O CYS A 24 4.361 -6.685 4.446 1.00 0.00 O ATOM 316 CB CYS A 24 5.391 -4.172 3.116 1.00 0.00 C ATOM 317 SG CYS A 24 5.444 -4.593 1.344 1.00 0.00 S ATOM 0 H CYS A 24 4.909 -3.457 5.422 1.00 0.00 H new ATOM 0 HA CYS A 24 3.263 -3.882 3.198 1.00 0.00 H new ATOM 0 HB2 CYS A 24 5.668 -3.125 3.238 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.141 -4.763 3.642 1.00 0.00 H new ATOM 322 N ASP A 25 2.673 -6.268 3.019 1.00 0.00 N ATOM 323 CA ASP A 25 2.256 -7.663 2.932 1.00 0.00 C ATOM 324 C ASP A 25 3.107 -8.423 1.920 1.00 0.00 C ATOM 325 O ASP A 25 2.874 -9.602 1.659 1.00 0.00 O ATOM 326 CB ASP A 25 0.779 -7.753 2.544 1.00 0.00 C ATOM 327 CG ASP A 25 0.142 -9.055 2.988 1.00 0.00 C ATOM 328 OD1 ASP A 25 0.717 -10.125 2.697 1.00 0.00 O ATOM 329 OD2 ASP A 25 -0.931 -9.005 3.625 1.00 0.00 O ATOM 0 H ASP A 25 2.114 -5.625 2.458 1.00 0.00 H new ATOM 0 HA ASP A 25 2.395 -8.119 3.912 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.238 -6.917 2.988 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.684 -7.656 1.463 1.00 0.00 H new ATOM 334 N ASN A 26 4.094 -7.737 1.351 1.00 0.00 N ATOM 335 CA ASN A 26 4.979 -8.347 0.366 1.00 0.00 C ATOM 336 C ASN A 26 6.273 -8.825 1.019 1.00 0.00 C ATOM 337 O ASN A 26 6.517 -10.027 1.131 1.00 0.00 O ATOM 338 CB ASN A 26 5.297 -7.351 -0.751 1.00 0.00 C ATOM 339 CG ASN A 26 6.129 -7.969 -1.858 1.00 0.00 C ATOM 340 OD1 ASN A 26 7.394 -8.246 -1.563 1.00 0.00 O flip ATOM 341 ND2 ASN A 26 5.640 -8.195 -2.965 1.00 0.00 N flip ATOM 0 H ASN A 26 4.300 -6.759 1.555 1.00 0.00 H new ATOM 0 HA ASN A 26 4.467 -9.210 -0.060 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.366 -6.970 -1.170 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.831 -6.498 -0.332 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.663 -7.966 -3.147 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.212 -8.611 -3.700 1.00 0.00 H new ATOM 348 N CYS A 27 7.098 -7.877 1.449 1.00 0.00 N ATOM 349 CA CYS A 27 8.366 -8.199 2.091 1.00 0.00 C ATOM 350 C CYS A 27 8.201 -8.295 3.605 1.00 0.00 C ATOM 351 O CYS A 27 8.857 -9.102 4.262 1.00 0.00 O ATOM 352 CB CYS A 27 9.419 -7.143 1.747 1.00 0.00 C ATOM 353 SG CYS A 27 9.015 -5.470 2.345 1.00 0.00 S ATOM 0 H CYS A 27 6.911 -6.878 1.364 1.00 0.00 H new ATOM 0 HA CYS A 27 8.698 -9.168 1.718 1.00 0.00 H new ATOM 0 HB2 CYS A 27 10.376 -7.448 2.171 1.00 0.00 H new ATOM 0 HB3 CYS A 27 9.545 -7.110 0.665 1.00 0.00 H new ATOM 358 N GLY A 28 7.318 -7.464 4.152 1.00 0.00 N ATOM 359 CA GLY A 28 7.082 -7.471 5.584 1.00 0.00 C ATOM 360 C GLY A 28 7.764 -6.316 6.289 1.00 0.00 C ATOM 361 O GLY A 28 7.984 -6.363 7.500 1.00 0.00 O ATOM 0 H GLY A 28 6.763 -6.787 3.629 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.009 -7.426 5.773 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.440 -8.411 6.004 1.00 0.00 H new ATOM 365 N ILE A 29 8.100 -5.277 5.532 1.00 0.00 N ATOM 366 CA ILE A 29 8.761 -4.106 6.092 1.00 0.00 C ATOM 367 C ILE A 29 7.782 -3.249 6.887 1.00 0.00 C ATOM 368 O ILE A 29 6.832 -2.698 6.331 1.00 0.00 O ATOM 369 CB ILE A 29 9.406 -3.243 4.992 1.00 0.00 C ATOM 370 CG1 ILE A 29 10.109 -2.032 5.609 1.00 0.00 C ATOM 371 CG2 ILE A 29 8.355 -2.796 3.986 1.00 0.00 C ATOM 372 CD1 ILE A 29 11.301 -1.554 4.810 1.00 0.00 C ATOM 0 H ILE A 29 7.925 -5.223 4.529 1.00 0.00 H new ATOM 0 HA ILE A 29 9.542 -4.473 6.758 1.00 0.00 H new ATOM 0 HB ILE A 29 10.150 -3.844 4.469 1.00 0.00 H new ATOM 0 HG12 ILE A 29 9.393 -1.215 5.703 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.436 -2.286 6.617 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.826 -2.187 3.214 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.895 -3.671 3.527 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.590 -2.209 4.495 1.00 0.00 H new ATOM 0 HD11 ILE A 29 11.750 -0.693 5.306 1.00 0.00 H new ATOM 0 HD12 ILE A 29 12.036 -2.356 4.738 1.00 0.00 H new ATOM 0 HD13 ILE A 29 10.977 -1.268 3.809 1.00 0.00 H new ATOM 384 N GLU A 30 8.021 -3.140 8.190 1.00 0.00 N ATOM 385 CA GLU A 30 7.159 -2.349 9.060 1.00 0.00 C ATOM 386 C GLU A 30 7.956 -1.752 10.217 1.00 0.00 C ATOM 387 O GLU A 30 8.759 -2.425 10.863 1.00 0.00 O ATOM 388 CB GLU A 30 6.017 -3.209 9.603 1.00 0.00 C ATOM 389 CG GLU A 30 5.393 -2.660 10.875 1.00 0.00 C ATOM 390 CD GLU A 30 4.441 -3.643 11.530 1.00 0.00 C ATOM 391 OE1 GLU A 30 4.925 -4.614 12.149 1.00 0.00 O ATOM 392 OE2 GLU A 30 3.214 -3.442 11.423 1.00 0.00 O ATOM 0 H GLU A 30 8.804 -3.589 8.666 1.00 0.00 H new ATOM 0 HA GLU A 30 6.740 -1.534 8.470 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.245 -3.298 8.839 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.391 -4.214 9.796 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.183 -2.400 11.580 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.857 -1.740 10.644 1.00 0.00 H new ATOM 399 N PRO A 31 7.729 -0.458 10.486 1.00 0.00 N ATOM 400 CA PRO A 31 6.775 0.354 9.723 1.00 0.00 C ATOM 401 C PRO A 31 7.256 0.631 8.303 1.00 0.00 C ATOM 402 O PRO A 31 8.442 0.495 8.002 1.00 0.00 O ATOM 403 CB PRO A 31 6.696 1.655 10.525 1.00 0.00 C ATOM 404 CG PRO A 31 7.995 1.733 11.249 1.00 0.00 C ATOM 405 CD PRO A 31 8.386 0.314 11.554 1.00 0.00 C ATOM 0 HA PRO A 31 5.815 -0.148 9.604 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.555 2.515 9.871 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.856 1.642 11.219 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.753 2.224 10.638 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.897 2.316 12.165 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.468 0.183 11.537 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.043 0.006 12.542 1.00 0.00 H new ATOM 413 N ILE A 32 6.328 1.021 7.435 1.00 0.00 N ATOM 414 CA ILE A 32 6.658 1.319 6.047 1.00 0.00 C ATOM 415 C ILE A 32 7.197 2.739 5.903 1.00 0.00 C ATOM 416 O ILE A 32 6.566 3.699 6.343 1.00 0.00 O ATOM 417 CB ILE A 32 5.434 1.151 5.128 1.00 0.00 C ATOM 418 CG1 ILE A 32 4.950 -0.301 5.148 1.00 0.00 C ATOM 419 CG2 ILE A 32 5.773 1.583 3.710 1.00 0.00 C ATOM 420 CD1 ILE A 32 3.533 -0.472 4.646 1.00 0.00 C ATOM 0 H ILE A 32 5.342 1.138 7.669 1.00 0.00 H new ATOM 0 HA ILE A 32 7.428 0.608 5.746 1.00 0.00 H new ATOM 0 HB ILE A 32 4.630 1.787 5.498 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.619 -0.907 4.537 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.015 -0.683 6.167 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.898 1.458 3.073 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.075 2.630 3.711 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.590 0.970 3.328 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.257 -1.526 4.688 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.853 0.107 5.271 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.467 -0.121 3.616 1.00 0.00 H new ATOM 432 N GLN A 33 8.365 2.862 5.282 1.00 0.00 N ATOM 433 CA GLN A 33 8.988 4.165 5.079 1.00 0.00 C ATOM 434 C GLN A 33 8.820 4.629 3.636 1.00 0.00 C ATOM 435 O GLN A 33 8.763 3.817 2.715 1.00 0.00 O ATOM 436 CB GLN A 33 10.474 4.105 5.438 1.00 0.00 C ATOM 437 CG GLN A 33 10.738 3.635 6.860 1.00 0.00 C ATOM 438 CD GLN A 33 10.596 2.134 7.014 1.00 0.00 C ATOM 439 OE1 GLN A 33 10.352 1.419 6.041 1.00 0.00 O ATOM 440 NE2 GLN A 33 10.750 1.647 8.239 1.00 0.00 N ATOM 0 H GLN A 33 8.899 2.076 4.911 1.00 0.00 H new ATOM 0 HA GLN A 33 8.492 4.883 5.733 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.980 3.435 4.743 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.912 5.094 5.304 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.744 3.933 7.156 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.045 4.133 7.538 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.951 2.276 9.016 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.667 0.644 8.403 1.00 0.00 H new ATOM 449 N GLY A 34 8.740 5.943 3.448 1.00 0.00 N ATOM 450 CA GLY A 34 8.579 6.493 2.115 1.00 0.00 C ATOM 451 C GLY A 34 7.126 6.559 1.687 1.00 0.00 C ATOM 452 O GLY A 34 6.313 7.227 2.325 1.00 0.00 O ATOM 0 H GLY A 34 8.784 6.636 4.195 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.010 7.494 2.084 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.137 5.884 1.404 1.00 0.00 H new ATOM 456 N VAL A 35 6.799 5.865 0.602 1.00 0.00 N ATOM 457 CA VAL A 35 5.434 5.847 0.088 1.00 0.00 C ATOM 458 C VAL A 35 4.767 4.501 0.346 1.00 0.00 C ATOM 459 O VAL A 35 5.349 3.448 0.085 1.00 0.00 O ATOM 460 CB VAL A 35 5.399 6.144 -1.423 1.00 0.00 C ATOM 461 CG1 VAL A 35 3.991 5.964 -1.970 1.00 0.00 C ATOM 462 CG2 VAL A 35 5.913 7.548 -1.701 1.00 0.00 C ATOM 0 H VAL A 35 7.460 5.308 0.061 1.00 0.00 H new ATOM 0 HA VAL A 35 4.887 6.627 0.617 1.00 0.00 H new ATOM 0 HB VAL A 35 6.053 5.435 -1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.986 6.178 -3.039 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.665 4.937 -1.804 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.312 6.647 -1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.881 7.741 -2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.287 8.274 -1.183 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.940 7.636 -1.346 1.00 0.00 H new ATOM 472 N ARG A 36 3.542 4.542 0.861 1.00 0.00 N ATOM 473 CA ARG A 36 2.796 3.325 1.155 1.00 0.00 C ATOM 474 C ARG A 36 1.722 3.077 0.099 1.00 0.00 C ATOM 475 O ARG A 36 0.719 3.787 0.042 1.00 0.00 O ATOM 476 CB ARG A 36 2.152 3.419 2.540 1.00 0.00 C ATOM 477 CG ARG A 36 1.198 2.276 2.846 1.00 0.00 C ATOM 478 CD ARG A 36 0.980 2.118 4.343 1.00 0.00 C ATOM 479 NE ARG A 36 0.514 3.355 4.962 1.00 0.00 N ATOM 480 CZ ARG A 36 -0.739 3.790 4.882 1.00 0.00 C ATOM 481 NH1 ARG A 36 -1.646 3.091 4.213 1.00 0.00 N ATOM 482 NH2 ARG A 36 -1.087 4.926 5.473 1.00 0.00 N ATOM 0 H ARG A 36 3.046 5.405 1.083 1.00 0.00 H new ATOM 0 HA ARG A 36 3.494 2.488 1.142 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.937 3.438 3.296 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.612 4.363 2.617 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.242 2.457 2.355 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.596 1.348 2.435 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.252 1.327 4.522 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.912 1.806 4.814 1.00 0.00 H new ATOM 0 HE ARG A 36 1.187 3.916 5.484 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.383 2.217 3.758 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.607 3.427 4.153 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.392 5.466 5.989 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.049 5.259 5.411 1.00 0.00 H new ATOM 496 N TRP A 37 1.942 2.066 -0.734 1.00 0.00 N ATOM 497 CA TRP A 37 0.994 1.725 -1.788 1.00 0.00 C ATOM 498 C TRP A 37 -0.206 0.975 -1.220 1.00 0.00 C ATOM 499 O TRP A 37 -0.169 -0.246 -1.063 1.00 0.00 O ATOM 500 CB TRP A 37 1.678 0.878 -2.863 1.00 0.00 C ATOM 501 CG TRP A 37 2.657 1.652 -3.694 1.00 0.00 C ATOM 502 CD1 TRP A 37 3.989 1.820 -3.447 1.00 0.00 C ATOM 503 CD2 TRP A 37 2.378 2.362 -4.906 1.00 0.00 C ATOM 504 NE1 TRP A 37 4.556 2.592 -4.431 1.00 0.00 N ATOM 505 CE2 TRP A 37 3.589 2.937 -5.338 1.00 0.00 C ATOM 506 CE3 TRP A 37 1.225 2.567 -5.668 1.00 0.00 C ATOM 507 CZ2 TRP A 37 3.677 3.703 -6.498 1.00 0.00 C ATOM 508 CZ3 TRP A 37 1.314 3.328 -6.818 1.00 0.00 C ATOM 509 CH2 TRP A 37 2.532 3.888 -7.225 1.00 0.00 C ATOM 0 H TRP A 37 2.768 1.469 -0.700 1.00 0.00 H new ATOM 0 HA TRP A 37 0.639 2.653 -2.237 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.195 0.046 -2.385 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.918 0.448 -3.516 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.519 1.406 -2.602 1.00 0.00 H new ATOM 0 HE1 TRP A 37 5.538 2.864 -4.479 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.281 2.139 -5.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 4.615 4.136 -6.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.429 3.494 -7.414 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.568 4.477 -8.130 1.00 0.00 H new ATOM 520 N HIS A 38 -1.268 1.712 -0.913 1.00 0.00 N ATOM 521 CA HIS A 38 -2.480 1.115 -0.362 1.00 0.00 C ATOM 522 C HIS A 38 -3.440 0.708 -1.476 1.00 0.00 C ATOM 523 O HIS A 38 -3.827 1.530 -2.307 1.00 0.00 O ATOM 524 CB HIS A 38 -3.169 2.094 0.589 1.00 0.00 C ATOM 525 CG HIS A 38 -4.660 1.952 0.618 1.00 0.00 C ATOM 526 ND1 HIS A 38 -5.308 0.966 1.331 1.00 0.00 N ATOM 527 CD2 HIS A 38 -5.630 2.679 0.017 1.00 0.00 C ATOM 528 CE1 HIS A 38 -6.613 1.092 1.166 1.00 0.00 C ATOM 529 NE2 HIS A 38 -6.835 2.124 0.373 1.00 0.00 N ATOM 0 H HIS A 38 -1.315 2.723 -1.036 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.195 0.221 0.193 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -2.778 1.945 1.596 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -2.915 3.113 0.296 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.484 3.536 -0.624 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -7.369 0.458 1.605 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -7.752 2.455 0.073 1.00 0.00 H new ATOM 537 N CYS A 39 -3.820 -0.565 -1.488 1.00 0.00 N ATOM 538 CA CYS A 39 -4.733 -1.082 -2.500 1.00 0.00 C ATOM 539 C CYS A 39 -6.041 -0.296 -2.504 1.00 0.00 C ATOM 540 O CYS A 39 -6.520 0.137 -1.457 1.00 0.00 O ATOM 541 CB CYS A 39 -5.017 -2.564 -2.250 1.00 0.00 C ATOM 542 SG CYS A 39 -5.885 -3.395 -3.620 1.00 0.00 S ATOM 0 H CYS A 39 -3.509 -1.258 -0.807 1.00 0.00 H new ATOM 0 HA CYS A 39 -4.258 -0.969 -3.475 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.074 -3.078 -2.067 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.614 -2.661 -1.343 1.00 0.00 H new ATOM 547 N GLN A 40 -6.612 -0.116 -3.691 1.00 0.00 N ATOM 548 CA GLN A 40 -7.864 0.619 -3.832 1.00 0.00 C ATOM 549 C GLN A 40 -9.030 -0.334 -4.072 1.00 0.00 C ATOM 550 O GLN A 40 -10.141 -0.104 -3.595 1.00 0.00 O ATOM 551 CB GLN A 40 -7.764 1.622 -4.983 1.00 0.00 C ATOM 552 CG GLN A 40 -6.391 2.260 -5.116 1.00 0.00 C ATOM 553 CD GLN A 40 -6.393 3.459 -6.044 1.00 0.00 C ATOM 554 OE1 GLN A 40 -5.226 4.066 -6.229 1.00 0.00 O flip ATOM 555 NE2 GLN A 40 -7.431 3.835 -6.589 1.00 0.00 N flip ATOM 0 H GLN A 40 -6.228 -0.468 -4.568 1.00 0.00 H new ATOM 0 HA GLN A 40 -8.046 1.160 -2.903 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -8.013 1.117 -5.916 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -8.507 2.406 -4.837 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -6.041 2.568 -4.131 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.684 1.518 -5.488 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.305 3.339 -6.418 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -7.416 4.643 -7.211 1.00 0.00 H new ATOM 564 N ASP A 41 -8.769 -1.405 -4.814 1.00 0.00 N ATOM 565 CA ASP A 41 -9.797 -2.394 -5.118 1.00 0.00 C ATOM 566 C ASP A 41 -10.257 -3.106 -3.849 1.00 0.00 C ATOM 567 O ASP A 41 -11.454 -3.294 -3.629 1.00 0.00 O ATOM 568 CB ASP A 41 -9.271 -3.414 -6.128 1.00 0.00 C ATOM 569 CG ASP A 41 -10.388 -4.152 -6.841 1.00 0.00 C ATOM 570 OD1 ASP A 41 -11.344 -4.581 -6.161 1.00 0.00 O ATOM 571 OD2 ASP A 41 -10.306 -4.299 -8.078 1.00 0.00 O ATOM 0 H ASP A 41 -7.854 -1.610 -5.216 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.651 -1.873 -5.551 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.648 -2.905 -6.864 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -8.634 -4.134 -5.615 1.00 0.00 H new ATOM 576 N CYS A 42 -9.298 -3.502 -3.019 1.00 0.00 N ATOM 577 CA CYS A 42 -9.603 -4.195 -1.773 1.00 0.00 C ATOM 578 C CYS A 42 -10.581 -3.386 -0.926 1.00 0.00 C ATOM 579 O CYS A 42 -10.644 -2.159 -1.007 1.00 0.00 O ATOM 580 CB CYS A 42 -8.320 -4.455 -0.982 1.00 0.00 C ATOM 581 SG CYS A 42 -7.413 -5.946 -1.505 1.00 0.00 S ATOM 0 H CYS A 42 -8.303 -3.355 -3.187 1.00 0.00 H new ATOM 0 HA CYS A 42 -10.068 -5.149 -2.022 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.664 -3.590 -1.080 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.570 -4.547 0.075 1.00 0.00 H new ATOM 586 N PRO A 43 -11.362 -4.088 -0.092 1.00 0.00 N ATOM 587 CA PRO A 43 -12.351 -3.456 0.788 1.00 0.00 C ATOM 588 C PRO A 43 -11.700 -2.659 1.912 1.00 0.00 C ATOM 589 O PRO A 43 -10.493 -2.736 2.142 1.00 0.00 O ATOM 590 CB PRO A 43 -13.130 -4.645 1.356 1.00 0.00 C ATOM 591 CG PRO A 43 -12.182 -5.791 1.281 1.00 0.00 C ATOM 592 CD PRO A 43 -11.341 -5.553 0.057 1.00 0.00 C ATOM 0 HA PRO A 43 -12.973 -2.737 0.254 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.444 -4.458 2.383 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -14.033 -4.840 0.777 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -11.562 -5.844 2.176 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.718 -6.737 1.208 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.326 -5.929 0.187 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -11.756 -6.052 -0.819 1.00 0.00 H new ATOM 600 N PRO A 44 -12.516 -1.874 2.632 1.00 0.00 N ATOM 601 CA PRO A 44 -12.041 -1.048 3.745 1.00 0.00 C ATOM 602 C PRO A 44 -11.623 -1.884 4.950 1.00 0.00 C ATOM 603 O PRO A 44 -11.205 -1.346 5.975 1.00 0.00 O ATOM 604 CB PRO A 44 -13.257 -0.184 4.090 1.00 0.00 C ATOM 605 CG PRO A 44 -14.429 -0.979 3.628 1.00 0.00 C ATOM 606 CD PRO A 44 -13.965 -1.733 2.413 1.00 0.00 C ATOM 0 HA PRO A 44 -11.155 -0.473 3.476 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.311 0.015 5.160 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.211 0.782 3.588 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.768 -1.663 4.406 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.270 -0.329 3.386 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.455 -2.703 2.331 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.181 -1.187 1.495 1.00 0.00 H new ATOM 614 N GLU A 45 -11.738 -3.202 4.819 1.00 0.00 N ATOM 615 CA GLU A 45 -11.371 -4.111 5.899 1.00 0.00 C ATOM 616 C GLU A 45 -10.117 -4.903 5.541 1.00 0.00 C ATOM 617 O GLU A 45 -9.316 -5.243 6.411 1.00 0.00 O ATOM 618 CB GLU A 45 -12.525 -5.070 6.201 1.00 0.00 C ATOM 619 CG GLU A 45 -12.612 -6.240 5.235 1.00 0.00 C ATOM 620 CD GLU A 45 -11.758 -7.417 5.666 1.00 0.00 C ATOM 621 OE1 GLU A 45 -10.888 -7.230 6.542 1.00 0.00 O ATOM 622 OE2 GLU A 45 -11.961 -8.525 5.128 1.00 0.00 O ATOM 0 H GLU A 45 -12.082 -3.664 3.977 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.161 -3.515 6.787 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.411 -5.454 7.215 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.463 -4.516 6.173 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.650 -6.561 5.151 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.299 -5.912 4.244 1.00 0.00 H new ATOM 629 N MET A 46 -9.955 -5.194 4.254 1.00 0.00 N ATOM 630 CA MET A 46 -8.798 -5.945 3.780 1.00 0.00 C ATOM 631 C MET A 46 -7.807 -5.027 3.073 1.00 0.00 C ATOM 632 O MET A 46 -7.073 -5.459 2.184 1.00 0.00 O ATOM 633 CB MET A 46 -9.242 -7.063 2.835 1.00 0.00 C ATOM 634 CG MET A 46 -8.152 -8.083 2.546 1.00 0.00 C ATOM 635 SD MET A 46 -8.238 -9.517 3.636 1.00 0.00 S ATOM 636 CE MET A 46 -7.816 -8.773 5.209 1.00 0.00 C ATOM 0 H MET A 46 -10.610 -4.921 3.521 1.00 0.00 H new ATOM 0 HA MET A 46 -8.302 -6.386 4.645 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.101 -7.575 3.269 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.575 -6.622 1.895 1.00 0.00 H new ATOM 0 HG2 MET A 46 -8.234 -8.413 1.510 1.00 0.00 H new ATOM 0 HG3 MET A 46 -7.177 -7.608 2.653 1.00 0.00 H new ATOM 0 HE1 MET A 46 -7.549 -9.554 5.921 1.00 0.00 H new ATOM 0 HE2 MET A 46 -6.970 -8.098 5.077 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.671 -8.214 5.588 1.00 0.00 H new ATOM 646 N SER A 47 -7.791 -3.759 3.472 1.00 0.00 N ATOM 647 CA SER A 47 -6.892 -2.780 2.872 1.00 0.00 C ATOM 648 C SER A 47 -5.439 -3.226 3.001 1.00 0.00 C ATOM 649 O SER A 47 -4.910 -3.347 4.107 1.00 0.00 O ATOM 650 CB SER A 47 -7.079 -1.413 3.534 1.00 0.00 C ATOM 651 OG SER A 47 -6.649 -1.438 4.884 1.00 0.00 O ATOM 0 H SER A 47 -8.390 -3.386 4.208 1.00 0.00 H new ATOM 0 HA SER A 47 -7.136 -2.700 1.813 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.517 -0.659 2.984 1.00 0.00 H new ATOM 0 HB3 SER A 47 -8.129 -1.124 3.489 1.00 0.00 H new ATOM 0 HG SER A 47 -6.029 -2.185 5.016 1.00 0.00 H new ATOM 657 N LEU A 48 -4.799 -3.470 1.863 1.00 0.00 N ATOM 658 CA LEU A 48 -3.406 -3.903 1.846 1.00 0.00 C ATOM 659 C LEU A 48 -2.468 -2.714 1.668 1.00 0.00 C ATOM 660 O LEU A 48 -2.896 -1.625 1.285 1.00 0.00 O ATOM 661 CB LEU A 48 -3.180 -4.918 0.725 1.00 0.00 C ATOM 662 CG LEU A 48 -3.623 -6.352 1.018 1.00 0.00 C ATOM 663 CD1 LEU A 48 -3.063 -7.307 -0.025 1.00 0.00 C ATOM 664 CD2 LEU A 48 -3.187 -6.770 2.415 1.00 0.00 C ATOM 0 H LEU A 48 -5.222 -3.375 0.940 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.187 -4.375 2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.707 -4.571 -0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.118 -4.930 0.482 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.711 -6.393 0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.389 -8.323 0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.425 -7.020 -1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.974 -7.264 -0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.511 -7.793 2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.101 -6.713 2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.637 -6.104 3.151 1.00 0.00 H new ATOM 676 N ASP A 49 -1.187 -2.930 1.945 1.00 0.00 N ATOM 677 CA ASP A 49 -0.187 -1.877 1.812 1.00 0.00 C ATOM 678 C ASP A 49 1.141 -2.447 1.323 1.00 0.00 C ATOM 679 O ASP A 49 1.614 -3.466 1.826 1.00 0.00 O ATOM 680 CB ASP A 49 0.013 -1.162 3.149 1.00 0.00 C ATOM 681 CG ASP A 49 -1.294 -0.933 3.884 1.00 0.00 C ATOM 682 OD1 ASP A 49 -1.863 -1.916 4.403 1.00 0.00 O ATOM 683 OD2 ASP A 49 -1.746 0.229 3.941 1.00 0.00 O ATOM 0 H ASP A 49 -0.816 -3.825 2.263 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.547 -1.159 1.075 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.681 -1.752 3.777 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.502 -0.203 2.976 1.00 0.00 H new ATOM 688 N PHE A 50 1.737 -1.783 0.338 1.00 0.00 N ATOM 689 CA PHE A 50 3.009 -2.224 -0.221 1.00 0.00 C ATOM 690 C PHE A 50 4.009 -1.073 -0.273 1.00 0.00 C ATOM 691 O PHE A 50 3.702 0.009 -0.774 1.00 0.00 O ATOM 692 CB PHE A 50 2.802 -2.799 -1.624 1.00 0.00 C ATOM 693 CG PHE A 50 1.783 -3.901 -1.676 1.00 0.00 C ATOM 694 CD1 PHE A 50 2.126 -5.196 -1.323 1.00 0.00 C ATOM 695 CD2 PHE A 50 0.483 -3.642 -2.078 1.00 0.00 C ATOM 696 CE1 PHE A 50 1.190 -6.213 -1.371 1.00 0.00 C ATOM 697 CE2 PHE A 50 -0.457 -4.654 -2.128 1.00 0.00 C ATOM 698 CZ PHE A 50 -0.103 -5.941 -1.772 1.00 0.00 C ATOM 0 H PHE A 50 1.359 -0.937 -0.089 1.00 0.00 H new ATOM 0 HA PHE A 50 3.412 -3.002 0.427 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.493 -1.997 -2.295 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.754 -3.177 -1.997 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.135 -5.414 -1.007 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.201 -2.637 -2.356 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.470 -7.219 -1.095 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.467 -4.439 -2.445 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.836 -6.733 -1.807 1.00 0.00 H new ATOM 708 N CYS A 51 5.207 -1.314 0.248 1.00 0.00 N ATOM 709 CA CYS A 51 6.254 -0.299 0.263 1.00 0.00 C ATOM 710 C CYS A 51 6.742 0.000 -1.152 1.00 0.00 C ATOM 711 O CYS A 51 6.719 -0.869 -2.024 1.00 0.00 O ATOM 712 CB CYS A 51 7.426 -0.757 1.133 1.00 0.00 C ATOM 713 SG CYS A 51 8.310 -2.212 0.483 1.00 0.00 S ATOM 0 H CYS A 51 5.477 -2.204 0.666 1.00 0.00 H new ATOM 0 HA CYS A 51 5.834 0.614 0.684 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.132 0.067 1.237 1.00 0.00 H new ATOM 0 HB3 CYS A 51 7.055 -0.987 2.132 1.00 0.00 H new ATOM 718 N ASP A 52 7.184 1.233 -1.371 1.00 0.00 N ATOM 719 CA ASP A 52 7.680 1.647 -2.679 1.00 0.00 C ATOM 720 C ASP A 52 8.481 0.527 -3.335 1.00 0.00 C ATOM 721 O ASP A 52 8.412 0.330 -4.548 1.00 0.00 O ATOM 722 CB ASP A 52 8.546 2.900 -2.546 1.00 0.00 C ATOM 723 CG ASP A 52 9.512 3.061 -3.703 1.00 0.00 C ATOM 724 OD1 ASP A 52 10.557 2.376 -3.703 1.00 0.00 O ATOM 725 OD2 ASP A 52 9.223 3.871 -4.609 1.00 0.00 O ATOM 0 H ASP A 52 7.209 1.964 -0.660 1.00 0.00 H new ATOM 0 HA ASP A 52 6.822 1.874 -3.311 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.903 3.778 -2.488 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.106 2.853 -1.612 1.00 0.00 H new ATOM 730 N SER A 53 9.241 -0.204 -2.525 1.00 0.00 N ATOM 731 CA SER A 53 10.059 -1.301 -3.028 1.00 0.00 C ATOM 732 C SER A 53 9.186 -2.401 -3.624 1.00 0.00 C ATOM 733 O SER A 53 9.486 -2.939 -4.690 1.00 0.00 O ATOM 734 CB SER A 53 10.927 -1.874 -1.906 1.00 0.00 C ATOM 735 OG SER A 53 12.179 -1.214 -1.842 1.00 0.00 O ATOM 0 H SER A 53 9.307 -0.056 -1.518 1.00 0.00 H new ATOM 0 HA SER A 53 10.705 -0.909 -3.813 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.409 -1.771 -0.953 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.082 -2.940 -2.071 1.00 0.00 H new ATOM 0 HG SER A 53 12.714 -1.597 -1.116 1.00 0.00 H new ATOM 741 N CYS A 54 8.103 -2.731 -2.927 1.00 0.00 N ATOM 742 CA CYS A 54 7.185 -3.767 -3.385 1.00 0.00 C ATOM 743 C CYS A 54 6.001 -3.154 -4.126 1.00 0.00 C ATOM 744 O CYS A 54 4.940 -3.769 -4.237 1.00 0.00 O ATOM 745 CB CYS A 54 6.686 -4.595 -2.199 1.00 0.00 C ATOM 746 SG CYS A 54 8.011 -5.409 -1.251 1.00 0.00 S ATOM 0 H CYS A 54 7.840 -2.296 -2.043 1.00 0.00 H new ATOM 0 HA CYS A 54 7.724 -4.418 -4.073 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.120 -3.947 -1.530 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.996 -5.355 -2.565 1.00 0.00 H new ATOM 751 N SER A 55 6.190 -1.940 -4.633 1.00 0.00 N ATOM 752 CA SER A 55 5.136 -1.243 -5.361 1.00 0.00 C ATOM 753 C SER A 55 4.906 -1.882 -6.727 1.00 0.00 C ATOM 754 O SER A 55 3.770 -1.990 -7.191 1.00 0.00 O ATOM 755 CB SER A 55 5.496 0.234 -5.531 1.00 0.00 C ATOM 756 OG SER A 55 6.518 0.402 -6.498 1.00 0.00 O ATOM 0 H SER A 55 7.063 -1.419 -4.553 1.00 0.00 H new ATOM 0 HA SER A 55 4.216 -1.321 -4.783 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.611 0.795 -5.831 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.824 0.644 -4.576 1.00 0.00 H new ATOM 0 HG SER A 55 7.391 0.417 -6.052 1.00 0.00 H new ATOM 762 N ASP A 56 5.991 -2.304 -7.367 1.00 0.00 N ATOM 763 CA ASP A 56 5.909 -2.934 -8.679 1.00 0.00 C ATOM 764 C ASP A 56 5.780 -4.448 -8.549 1.00 0.00 C ATOM 765 O ASP A 56 5.964 -5.183 -9.520 1.00 0.00 O ATOM 766 CB ASP A 56 7.142 -2.585 -9.514 1.00 0.00 C ATOM 767 CG ASP A 56 8.424 -3.118 -8.904 1.00 0.00 C ATOM 768 OD1 ASP A 56 8.462 -3.298 -7.669 1.00 0.00 O ATOM 769 OD2 ASP A 56 9.389 -3.353 -9.661 1.00 0.00 O ATOM 0 H ASP A 56 6.938 -2.221 -6.998 1.00 0.00 H new ATOM 0 HA ASP A 56 5.020 -2.554 -9.181 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.024 -2.992 -10.518 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.214 -1.502 -9.615 1.00 0.00 H new ATOM 774 N CYS A 57 5.463 -4.907 -7.343 1.00 0.00 N ATOM 775 CA CYS A 57 5.311 -6.335 -7.085 1.00 0.00 C ATOM 776 C CYS A 57 3.857 -6.765 -7.246 1.00 0.00 C ATOM 777 O CYS A 57 2.939 -5.959 -7.088 1.00 0.00 O ATOM 778 CB CYS A 57 5.803 -6.675 -5.677 1.00 0.00 C ATOM 779 SG CYS A 57 7.603 -6.712 -5.513 1.00 0.00 S ATOM 0 H CYS A 57 5.306 -4.312 -6.529 1.00 0.00 H new ATOM 0 HA CYS A 57 5.914 -6.877 -7.814 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.400 -5.944 -4.976 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.403 -7.647 -5.389 1.00 0.00 H new ATOM 0 HG CYS A 57 7.921 -7.006 -4.287 1.00 0.00 H new ATOM 785 N LEU A 58 3.654 -8.039 -7.564 1.00 0.00 N ATOM 786 CA LEU A 58 2.310 -8.576 -7.749 1.00 0.00 C ATOM 787 C LEU A 58 1.995 -9.630 -6.692 1.00 0.00 C ATOM 788 O LEU A 58 2.709 -10.624 -6.559 1.00 0.00 O ATOM 789 CB LEU A 58 2.170 -9.182 -9.147 1.00 0.00 C ATOM 790 CG LEU A 58 0.772 -9.127 -9.765 1.00 0.00 C ATOM 791 CD1 LEU A 58 0.349 -7.685 -10.001 1.00 0.00 C ATOM 792 CD2 LEU A 58 0.733 -9.916 -11.065 1.00 0.00 C ATOM 0 H LEU A 58 4.402 -8.719 -7.699 1.00 0.00 H new ATOM 0 HA LEU A 58 1.600 -7.756 -7.642 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.861 -8.668 -9.815 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.485 -10.224 -9.103 1.00 0.00 H new ATOM 0 HG LEU A 58 0.068 -9.580 -9.067 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.648 -7.666 -10.441 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.337 -7.149 -9.052 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.054 -7.205 -10.680 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.269 -9.866 -11.491 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.448 -9.492 -11.770 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.992 -10.956 -10.867 1.00 0.00 H new ATOM 804 N HIS A 59 0.920 -9.406 -5.943 1.00 0.00 N ATOM 805 CA HIS A 59 0.508 -10.338 -4.899 1.00 0.00 C ATOM 806 C HIS A 59 -0.986 -10.632 -4.993 1.00 0.00 C ATOM 807 O HIS A 59 -1.802 -9.719 -5.112 1.00 0.00 O ATOM 808 CB HIS A 59 0.842 -9.771 -3.519 1.00 0.00 C ATOM 809 CG HIS A 59 1.025 -10.823 -2.468 1.00 0.00 C ATOM 810 ND1 HIS A 59 0.156 -11.330 -1.563 1.00 0.00 N flip ATOM 811 CD2 HIS A 59 2.220 -11.478 -2.259 1.00 0.00 C flip ATOM 812 CE1 HIS A 59 0.834 -12.274 -0.832 1.00 0.00 C flip ATOM 813 NE2 HIS A 59 2.078 -12.344 -1.272 1.00 0.00 N flip ATOM 0 H HIS A 59 0.319 -8.588 -6.039 1.00 0.00 H new ATOM 0 HA HIS A 59 1.054 -11.270 -5.042 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.753 -9.177 -3.590 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.045 -9.095 -3.210 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.130 -11.309 -2.815 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.418 -12.863 -0.028 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.805 -12.962 -0.911 1.00 0.00 H new ATOM 821 N GLU A 60 -1.337 -11.914 -4.938 1.00 0.00 N ATOM 822 CA GLU A 60 -2.733 -12.327 -5.018 1.00 0.00 C ATOM 823 C GLU A 60 -3.121 -13.171 -3.807 1.00 0.00 C ATOM 824 O GLU A 60 -2.553 -14.238 -3.572 1.00 0.00 O ATOM 825 CB GLU A 60 -2.981 -13.117 -6.305 1.00 0.00 C ATOM 826 CG GLU A 60 -3.047 -12.248 -7.550 1.00 0.00 C ATOM 827 CD GLU A 60 -3.964 -12.821 -8.613 1.00 0.00 C ATOM 828 OE1 GLU A 60 -3.719 -13.963 -9.054 1.00 0.00 O ATOM 829 OE2 GLU A 60 -4.926 -12.128 -9.003 1.00 0.00 O ATOM 0 H GLU A 60 -0.674 -12.683 -4.838 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.351 -11.429 -5.026 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.187 -13.853 -6.428 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.916 -13.669 -6.208 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.393 -11.252 -7.275 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.045 -12.134 -7.963 1.00 0.00 H new ATOM 836 N THR A 61 -4.092 -12.685 -3.041 1.00 0.00 N ATOM 837 CA THR A 61 -4.556 -13.392 -1.854 1.00 0.00 C ATOM 838 C THR A 61 -6.047 -13.695 -1.942 1.00 0.00 C ATOM 839 O THR A 61 -6.685 -13.429 -2.960 1.00 0.00 O ATOM 840 CB THR A 61 -4.283 -12.579 -0.574 1.00 0.00 C ATOM 841 OG1 THR A 61 -5.173 -11.459 -0.506 1.00 0.00 O ATOM 842 CG2 THR A 61 -2.843 -12.092 -0.539 1.00 0.00 C ATOM 0 H THR A 61 -4.573 -11.804 -3.222 1.00 0.00 H new ATOM 0 HA THR A 61 -4.000 -14.329 -1.806 1.00 0.00 H new ATOM 0 HB THR A 61 -4.451 -13.228 0.285 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.685 -10.672 -0.185 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.674 -11.521 0.374 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.169 -12.948 -0.561 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.652 -11.458 -1.405 1.00 0.00 H new ATOM 850 N ASP A 62 -6.597 -14.252 -0.868 1.00 0.00 N ATOM 851 CA ASP A 62 -8.015 -14.589 -0.823 1.00 0.00 C ATOM 852 C ASP A 62 -8.860 -13.465 -1.415 1.00 0.00 C ATOM 853 O ASP A 62 -9.716 -13.702 -2.267 1.00 0.00 O ATOM 854 CB ASP A 62 -8.450 -14.868 0.616 1.00 0.00 C ATOM 855 CG ASP A 62 -7.835 -16.138 1.171 1.00 0.00 C ATOM 856 OD1 ASP A 62 -6.599 -16.170 1.347 1.00 0.00 O ATOM 857 OD2 ASP A 62 -8.589 -17.099 1.429 1.00 0.00 O ATOM 0 H ASP A 62 -6.082 -14.479 -0.017 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.168 -15.488 -1.421 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.168 -14.025 1.247 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.536 -14.947 0.655 1.00 0.00 H new ATOM 862 N ILE A 63 -8.615 -12.243 -0.955 1.00 0.00 N ATOM 863 CA ILE A 63 -9.353 -11.083 -1.439 1.00 0.00 C ATOM 864 C ILE A 63 -8.543 -10.306 -2.471 1.00 0.00 C ATOM 865 O ILE A 63 -9.010 -10.054 -3.581 1.00 0.00 O ATOM 866 CB ILE A 63 -9.735 -10.138 -0.285 1.00 0.00 C ATOM 867 CG1 ILE A 63 -10.475 -10.908 0.811 1.00 0.00 C ATOM 868 CG2 ILE A 63 -10.589 -8.989 -0.801 1.00 0.00 C ATOM 869 CD1 ILE A 63 -11.037 -10.020 1.899 1.00 0.00 C ATOM 0 H ILE A 63 -7.911 -12.031 -0.248 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.263 -11.460 -1.905 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.822 -9.723 0.142 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -11.289 -11.475 0.359 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.794 -11.631 1.259 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.851 -8.330 0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.030 -8.427 -1.549 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.499 -9.386 -1.251 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -11.548 -10.633 2.641 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -10.225 -9.472 2.377 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -11.744 -9.314 1.463 1.00 0.00 H new ATOM 881 N HIS A 64 -7.324 -9.931 -2.097 1.00 0.00 N ATOM 882 CA HIS A 64 -6.445 -9.184 -2.991 1.00 0.00 C ATOM 883 C HIS A 64 -6.193 -9.963 -4.278 1.00 0.00 C ATOM 884 O HIS A 64 -6.284 -11.190 -4.303 1.00 0.00 O ATOM 885 CB HIS A 64 -5.118 -8.878 -2.297 1.00 0.00 C ATOM 886 CG HIS A 64 -4.245 -7.934 -3.065 1.00 0.00 C ATOM 887 ND1 HIS A 64 -4.701 -6.740 -3.583 1.00 0.00 N ATOM 888 CD2 HIS A 64 -2.936 -8.012 -3.401 1.00 0.00 C ATOM 889 CE1 HIS A 64 -3.710 -6.126 -4.206 1.00 0.00 C ATOM 890 NE2 HIS A 64 -2.628 -6.877 -4.109 1.00 0.00 N ATOM 0 H HIS A 64 -6.922 -10.132 -1.181 1.00 0.00 H new ATOM 0 HA HIS A 64 -6.937 -8.245 -3.245 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.321 -8.454 -1.314 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.578 -9.811 -2.137 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.259 -8.818 -3.157 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.774 -5.172 -4.709 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -1.712 -6.650 -4.497 1.00 0.00 H new ATOM 898 N LYS A 65 -5.874 -9.241 -5.348 1.00 0.00 N ATOM 899 CA LYS A 65 -5.608 -9.862 -6.639 1.00 0.00 C ATOM 900 C LYS A 65 -4.612 -9.034 -7.446 1.00 0.00 C ATOM 901 O LYS A 65 -4.141 -7.994 -6.987 1.00 0.00 O ATOM 902 CB LYS A 65 -6.909 -10.026 -7.428 1.00 0.00 C ATOM 903 CG LYS A 65 -7.919 -10.937 -6.752 1.00 0.00 C ATOM 904 CD LYS A 65 -7.445 -12.380 -6.735 1.00 0.00 C ATOM 905 CE LYS A 65 -8.286 -13.232 -5.795 1.00 0.00 C ATOM 906 NZ LYS A 65 -8.344 -14.652 -6.238 1.00 0.00 N ATOM 0 H LYS A 65 -5.794 -8.224 -5.345 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.174 -10.845 -6.458 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.360 -9.045 -7.577 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.677 -10.424 -8.416 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.090 -10.597 -5.731 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.874 -10.873 -7.273 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.494 -12.792 -7.743 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.401 -12.417 -6.425 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.870 -13.182 -4.789 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.296 -12.826 -5.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.926 -15.200 -5.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.764 -14.702 -7.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.382 -15.047 -6.264 1.00 0.00 H new ATOM 920 N GLU A 66 -4.299 -9.503 -8.650 1.00 0.00 N ATOM 921 CA GLU A 66 -3.360 -8.804 -9.520 1.00 0.00 C ATOM 922 C GLU A 66 -4.032 -7.617 -10.204 1.00 0.00 C ATOM 923 O GLU A 66 -3.448 -6.539 -10.315 1.00 0.00 O ATOM 924 CB GLU A 66 -2.796 -9.761 -10.572 1.00 0.00 C ATOM 925 CG GLU A 66 -3.859 -10.377 -11.466 1.00 0.00 C ATOM 926 CD GLU A 66 -3.311 -11.480 -12.351 1.00 0.00 C ATOM 927 OE1 GLU A 66 -2.431 -11.186 -13.188 1.00 0.00 O ATOM 928 OE2 GLU A 66 -3.760 -12.636 -12.206 1.00 0.00 O ATOM 0 H GLU A 66 -4.681 -10.362 -9.045 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.542 -8.430 -8.904 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.078 -9.224 -11.192 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.249 -10.559 -10.069 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.661 -10.778 -10.847 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.298 -9.599 -12.091 1.00 0.00 H new ATOM 935 N ASP A 67 -5.262 -7.824 -10.661 1.00 0.00 N ATOM 936 CA ASP A 67 -6.015 -6.772 -11.333 1.00 0.00 C ATOM 937 C ASP A 67 -6.193 -5.562 -10.421 1.00 0.00 C ATOM 938 O ASP A 67 -6.251 -4.423 -10.886 1.00 0.00 O ATOM 939 CB ASP A 67 -7.381 -7.297 -11.777 1.00 0.00 C ATOM 940 CG ASP A 67 -7.936 -8.341 -10.829 1.00 0.00 C ATOM 941 OD1 ASP A 67 -7.332 -9.429 -10.724 1.00 0.00 O ATOM 942 OD2 ASP A 67 -8.974 -8.070 -10.190 1.00 0.00 O ATOM 0 H ASP A 67 -5.759 -8.711 -10.578 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.451 -6.461 -12.212 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.082 -6.465 -11.847 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.295 -7.726 -12.775 1.00 0.00 H new ATOM 947 N HIS A 68 -6.280 -5.817 -9.119 1.00 0.00 N ATOM 948 CA HIS A 68 -6.452 -4.749 -8.141 1.00 0.00 C ATOM 949 C HIS A 68 -5.450 -3.625 -8.382 1.00 0.00 C ATOM 950 O HIS A 68 -4.389 -3.842 -8.967 1.00 0.00 O ATOM 951 CB HIS A 68 -6.290 -5.297 -6.722 1.00 0.00 C ATOM 952 CG HIS A 68 -7.441 -6.141 -6.271 1.00 0.00 C ATOM 953 ND1 HIS A 68 -7.870 -6.191 -4.961 1.00 0.00 N ATOM 954 CD2 HIS A 68 -8.256 -6.971 -6.964 1.00 0.00 C ATOM 955 CE1 HIS A 68 -8.898 -7.016 -4.868 1.00 0.00 C ATOM 956 NE2 HIS A 68 -9.153 -7.502 -6.069 1.00 0.00 N ATOM 0 H HIS A 68 -6.234 -6.753 -8.717 1.00 0.00 H new ATOM 0 HA HIS A 68 -7.458 -4.345 -8.254 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.375 -5.888 -6.672 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.169 -4.463 -6.031 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -8.210 -7.177 -8.023 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -9.438 -7.253 -3.963 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -9.895 -8.164 -6.295 1.00 0.00 H new ATOM 964 N GLN A 69 -5.794 -2.424 -7.928 1.00 0.00 N ATOM 965 CA GLN A 69 -4.924 -1.266 -8.096 1.00 0.00 C ATOM 966 C GLN A 69 -4.298 -0.857 -6.767 1.00 0.00 C ATOM 967 O GLN A 69 -4.730 -1.301 -5.703 1.00 0.00 O ATOM 968 CB GLN A 69 -5.710 -0.093 -8.685 1.00 0.00 C ATOM 969 CG GLN A 69 -5.723 -0.072 -10.205 1.00 0.00 C ATOM 970 CD GLN A 69 -6.835 -0.919 -10.791 1.00 0.00 C ATOM 971 OE1 GLN A 69 -7.232 -1.931 -10.211 1.00 0.00 O ATOM 972 NE2 GLN A 69 -7.345 -0.511 -11.947 1.00 0.00 N ATOM 0 H GLN A 69 -6.669 -2.228 -7.441 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.124 -1.541 -8.784 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -6.737 -0.135 -8.322 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -5.281 0.841 -8.321 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -5.835 0.956 -10.549 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -4.763 -0.431 -10.578 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -6.986 0.333 -12.393 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -8.095 -1.042 -12.389 1.00 0.00 H new ATOM 981 N LEU A 70 -3.277 -0.009 -6.835 1.00 0.00 N ATOM 982 CA LEU A 70 -2.591 0.459 -5.637 1.00 0.00 C ATOM 983 C LEU A 70 -2.552 1.984 -5.593 1.00 0.00 C ATOM 984 O LEU A 70 -2.497 2.643 -6.630 1.00 0.00 O ATOM 985 CB LEU A 70 -1.168 -0.100 -5.589 1.00 0.00 C ATOM 986 CG LEU A 70 -1.041 -1.621 -5.681 1.00 0.00 C ATOM 987 CD1 LEU A 70 0.422 -2.033 -5.727 1.00 0.00 C ATOM 988 CD2 LEU A 70 -1.748 -2.287 -4.509 1.00 0.00 C ATOM 0 H LEU A 70 -2.907 0.368 -7.707 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.144 0.102 -4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.598 0.342 -6.406 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.701 0.228 -4.660 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.519 -1.951 -6.603 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.492 -3.119 -5.792 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.899 -1.585 -6.599 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.925 -1.691 -4.823 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.647 -3.369 -4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.299 -1.950 -3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.804 -2.019 -4.521 1.00 0.00 H new ATOM 1000 N GLU A 71 -2.578 2.536 -4.384 1.00 0.00 N ATOM 1001 CA GLU A 71 -2.544 3.983 -4.205 1.00 0.00 C ATOM 1002 C GLU A 71 -1.259 4.415 -3.505 1.00 0.00 C ATOM 1003 O GLU A 71 -1.006 4.072 -2.350 1.00 0.00 O ATOM 1004 CB GLU A 71 -3.758 4.449 -3.399 1.00 0.00 C ATOM 1005 CG GLU A 71 -3.781 5.946 -3.143 1.00 0.00 C ATOM 1006 CD GLU A 71 -5.175 6.467 -2.852 1.00 0.00 C ATOM 1007 OE1 GLU A 71 -6.024 5.671 -2.397 1.00 0.00 O ATOM 1008 OE2 GLU A 71 -5.417 7.671 -3.078 1.00 0.00 O ATOM 0 H GLU A 71 -2.622 2.004 -3.515 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.573 4.445 -5.192 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.667 4.166 -3.930 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.772 3.925 -2.443 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.128 6.177 -2.301 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.377 6.466 -4.012 1.00 0.00 H new ATOM 1015 N PRO A 72 -0.426 5.186 -4.220 1.00 0.00 N ATOM 1016 CA PRO A 72 0.847 5.682 -3.688 1.00 0.00 C ATOM 1017 C PRO A 72 0.651 6.733 -2.600 1.00 0.00 C ATOM 1018 O PRO A 72 0.376 7.897 -2.891 1.00 0.00 O ATOM 1019 CB PRO A 72 1.526 6.300 -4.912 1.00 0.00 C ATOM 1020 CG PRO A 72 0.405 6.669 -5.822 1.00 0.00 C ATOM 1021 CD PRO A 72 -0.663 5.634 -5.602 1.00 0.00 C ATOM 0 HA PRO A 72 1.428 4.890 -3.216 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.117 7.174 -4.638 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.205 5.592 -5.387 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.032 7.668 -5.597 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.733 6.677 -6.862 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.661 6.055 -5.722 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.577 4.811 -6.311 1.00 0.00 H new ATOM 1029 N ILE A 73 0.794 6.314 -1.347 1.00 0.00 N ATOM 1030 CA ILE A 73 0.634 7.220 -0.217 1.00 0.00 C ATOM 1031 C ILE A 73 1.976 7.803 0.215 1.00 0.00 C ATOM 1032 O ILE A 73 2.734 7.168 0.947 1.00 0.00 O ATOM 1033 CB ILE A 73 -0.015 6.511 0.986 1.00 0.00 C ATOM 1034 CG1 ILE A 73 -1.366 5.914 0.586 1.00 0.00 C ATOM 1035 CG2 ILE A 73 -0.181 7.480 2.147 1.00 0.00 C ATOM 1036 CD1 ILE A 73 -1.957 4.999 1.635 1.00 0.00 C ATOM 0 H ILE A 73 1.020 5.353 -1.089 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.020 8.026 -0.550 1.00 0.00 H new ATOM 0 HB ILE A 73 0.639 5.700 1.306 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.067 6.724 0.386 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.247 5.358 -0.344 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.641 6.963 2.989 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.796 7.862 2.445 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.817 8.310 1.840 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.914 4.613 1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.276 4.168 1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.108 5.556 2.560 1.00 0.00 H new ATOM 1048 N TYR A 74 2.261 9.017 -0.243 1.00 0.00 N ATOM 1049 CA TYR A 74 3.512 9.687 0.095 1.00 0.00 C ATOM 1050 C TYR A 74 3.569 10.015 1.583 1.00 0.00 C ATOM 1051 O TYR A 74 4.539 9.686 2.266 1.00 0.00 O ATOM 1052 CB TYR A 74 3.668 10.966 -0.728 1.00 0.00 C ATOM 1053 CG TYR A 74 4.034 10.716 -2.174 1.00 0.00 C ATOM 1054 CD1 TYR A 74 3.297 9.833 -2.954 1.00 0.00 C ATOM 1055 CD2 TYR A 74 5.116 11.362 -2.759 1.00 0.00 C ATOM 1056 CE1 TYR A 74 3.628 9.601 -4.275 1.00 0.00 C ATOM 1057 CE2 TYR A 74 5.453 11.136 -4.080 1.00 0.00 C ATOM 1058 CZ TYR A 74 4.707 10.255 -4.833 1.00 0.00 C ATOM 1059 OH TYR A 74 5.040 10.027 -6.149 1.00 0.00 O ATOM 0 H TYR A 74 1.643 9.557 -0.849 1.00 0.00 H new ATOM 0 HA TYR A 74 4.333 9.010 -0.140 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.735 11.528 -0.690 1.00 0.00 H new ATOM 0 HB3 TYR A 74 4.435 11.591 -0.271 1.00 0.00 H new ATOM 0 HD1 TYR A 74 2.452 9.320 -2.520 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.703 12.052 -2.172 1.00 0.00 H new ATOM 0 HE1 TYR A 74 3.045 8.911 -4.868 1.00 0.00 H new ATOM 0 HE2 TYR A 74 6.297 11.647 -4.520 1.00 0.00 H new ATOM 0 HH TYR A 74 5.823 10.566 -6.386 1.00 0.00 H new ATOM 1069 N ARG A 75 2.522 10.666 2.079 1.00 0.00 N ATOM 1070 CA ARG A 75 2.451 11.041 3.486 1.00 0.00 C ATOM 1071 C ARG A 75 1.248 10.390 4.163 1.00 0.00 C ATOM 1072 O ARG A 75 0.172 10.290 3.575 1.00 0.00 O ATOM 1073 CB ARG A 75 2.368 12.562 3.628 1.00 0.00 C ATOM 1074 CG ARG A 75 3.678 13.274 3.333 1.00 0.00 C ATOM 1075 CD ARG A 75 3.446 14.718 2.917 1.00 0.00 C ATOM 1076 NE ARG A 75 4.626 15.549 3.141 1.00 0.00 N ATOM 1077 CZ ARG A 75 4.577 16.865 3.312 1.00 0.00 C ATOM 1078 NH1 ARG A 75 3.412 17.497 3.284 1.00 0.00 N ATOM 1079 NH2 ARG A 75 5.695 17.552 3.510 1.00 0.00 N ATOM 0 H ARG A 75 1.711 10.945 1.527 1.00 0.00 H new ATOM 0 HA ARG A 75 3.358 10.686 3.976 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.599 12.940 2.954 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.051 12.807 4.642 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.315 13.247 4.217 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.209 12.747 2.541 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.174 14.752 1.862 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.604 15.126 3.477 1.00 0.00 H new ATOM 0 HE ARG A 75 5.538 15.093 3.168 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.551 16.972 3.131 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.377 18.508 3.416 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.593 17.069 3.531 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.656 18.563 3.641 1.00 0.00 H new ATOM 1093 N SER A 76 1.440 9.948 5.402 1.00 0.00 N ATOM 1094 CA SER A 76 0.373 9.302 6.157 1.00 0.00 C ATOM 1095 C SER A 76 -0.831 10.229 6.296 1.00 0.00 C ATOM 1096 O SER A 76 -0.681 11.436 6.481 1.00 0.00 O ATOM 1097 CB SER A 76 0.876 8.890 7.541 1.00 0.00 C ATOM 1098 OG SER A 76 -0.139 8.231 8.278 1.00 0.00 O ATOM 0 H SER A 76 2.325 10.026 5.904 1.00 0.00 H new ATOM 0 HA SER A 76 0.063 8.411 5.611 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.739 8.232 7.437 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.211 9.772 8.087 1.00 0.00 H new ATOM 0 HG SER A 76 0.209 7.977 9.158 1.00 0.00 H new ATOM 1104 N SER A 77 -2.026 9.653 6.206 1.00 0.00 N ATOM 1105 CA SER A 77 -3.257 10.427 6.317 1.00 0.00 C ATOM 1106 C SER A 77 -3.759 10.445 7.758 1.00 0.00 C ATOM 1107 O SER A 77 -3.548 9.496 8.512 1.00 0.00 O ATOM 1108 CB SER A 77 -4.334 9.847 5.398 1.00 0.00 C ATOM 1109 OG SER A 77 -5.513 10.633 5.434 1.00 0.00 O ATOM 0 H SER A 77 -2.168 8.654 6.057 1.00 0.00 H new ATOM 0 HA SER A 77 -3.042 11.451 6.012 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.957 9.798 4.376 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.565 8.826 5.702 1.00 0.00 H new ATOM 0 HG SER A 77 -6.185 10.242 4.837 1.00 0.00 H new ATOM 1115 N GLY A 78 -4.424 11.533 8.133 1.00 0.00 N ATOM 1116 CA GLY A 78 -4.945 11.656 9.482 1.00 0.00 C ATOM 1117 C GLY A 78 -5.172 13.099 9.887 1.00 0.00 C ATOM 1118 O GLY A 78 -5.033 14.021 9.083 1.00 0.00 O ATOM 0 H GLY A 78 -4.611 12.332 7.527 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.885 11.109 9.556 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.249 11.191 10.181 1.00 0.00 H new ATOM 1122 N PRO A 79 -5.532 13.310 11.162 1.00 0.00 N ATOM 1123 CA PRO A 79 -5.787 14.649 11.701 1.00 0.00 C ATOM 1124 C PRO A 79 -4.513 15.479 11.820 1.00 0.00 C ATOM 1125 O PRO A 79 -3.409 14.970 11.627 1.00 0.00 O ATOM 1126 CB PRO A 79 -6.374 14.368 13.086 1.00 0.00 C ATOM 1127 CG PRO A 79 -5.837 13.030 13.460 1.00 0.00 C ATOM 1128 CD PRO A 79 -5.716 12.258 12.176 1.00 0.00 C ATOM 0 HA PRO A 79 -6.445 15.230 11.054 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -6.074 15.130 13.805 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -7.464 14.364 13.061 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.869 13.122 13.953 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -6.503 12.524 14.158 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -4.871 11.570 12.199 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -6.607 11.662 11.980 1.00 0.00 H new ATOM 1136 N SER A 80 -4.674 16.759 12.139 1.00 0.00 N ATOM 1137 CA SER A 80 -3.536 17.661 12.280 1.00 0.00 C ATOM 1138 C SER A 80 -3.514 18.293 13.668 1.00 0.00 C ATOM 1139 O SER A 80 -4.145 19.323 13.904 1.00 0.00 O ATOM 1140 CB SER A 80 -3.588 18.753 11.210 1.00 0.00 C ATOM 1141 OG SER A 80 -4.823 19.446 11.249 1.00 0.00 O ATOM 0 H SER A 80 -5.581 17.195 12.305 1.00 0.00 H new ATOM 0 HA SER A 80 -2.624 17.079 12.150 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.768 19.455 11.362 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.448 18.308 10.225 1.00 0.00 H new ATOM 0 HG SER A 80 -5.073 19.617 12.181 1.00 0.00 H new ATOM 1147 N SER A 81 -2.781 17.668 14.585 1.00 0.00 N ATOM 1148 CA SER A 81 -2.679 18.166 15.951 1.00 0.00 C ATOM 1149 C SER A 81 -1.240 18.553 16.282 1.00 0.00 C ATOM 1150 O SER A 81 -0.455 17.728 16.748 1.00 0.00 O ATOM 1151 CB SER A 81 -3.175 17.110 16.940 1.00 0.00 C ATOM 1152 OG SER A 81 -4.538 16.798 16.713 1.00 0.00 O ATOM 0 H SER A 81 -2.249 16.816 14.406 1.00 0.00 H new ATOM 0 HA SER A 81 -3.305 19.054 16.035 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.572 16.207 16.846 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.047 17.474 17.960 1.00 0.00 H new ATOM 0 HG SER A 81 -4.830 16.120 17.357 1.00 0.00 H new ATOM 1158 N GLY A 82 -0.901 19.815 16.035 1.00 0.00 N ATOM 1159 CA GLY A 82 0.442 20.290 16.312 1.00 0.00 C ATOM 1160 C GLY A 82 0.471 21.344 17.400 1.00 0.00 C ATOM 1161 O GLY A 82 -0.399 21.332 18.270 1.00 0.00 O ATOM 0 H GLY A 82 -1.532 20.516 15.648 1.00 0.00 H new ATOM 0 HA2 GLY A 82 1.068 19.448 16.609 1.00 0.00 H new ATOM 0 HA3 GLY A 82 0.874 20.702 15.400 1.00 0.00 H new TER 1165 GLY A 82 HETATM 1166 ZN ZN A 201 7.728 -4.373 0.840 1.00 0.00 ZN HETATM 1167 ZN ZN A 401 -6.426 -5.632 -3.614 1.00 0.00 ZN