USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 413 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 40 MET CE :methyl 164:sc= 0 (180deg=0) USER MOD Set 2.1: A 34 CYS SG : rot 60:sc= -0.551! USER MOD Set 2.2: A 37 CYS SG : rot -47:sc= 0.586 USER MOD Set 2.3: A 56 HIS : no HE2:sc= -1.07 K(o=-2.6,f=-4.5) USER MOD Set 2.4: A 59 CYS SG : rot 173:sc= -1.56 USER MOD Set 3.1: A 8 CYS SG : rot 137:sc= 0.53 USER MOD Set 3.2: A 11 CYS SG : rot -73:sc= -1.24 USER MOD Set 3.3: A 28 HIS : no HD1:sc= -5.33! C(o=-7.7!,f=-9.5!) USER MOD Set 3.4: A 31 CYS SG : rot -170:sc= -1.64! USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc=-0.00839 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.782 K(o=-0.78,f=-1.9) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.119 USER MOD Single : A 39 GLN : amide:sc= -0.01 X(o=-0.01,f=-0.18) USER MOD Single : A 47 MET CE :methyl -174:sc= -0.167 (180deg=-0.173) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0321 X(o=-0.032,f=-0.31) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0635 K(o=-0.064,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 7.030 13.112 4.135 1.00 0.00 N ATOM 60 CA GLY A 7 7.605 12.261 3.110 1.00 0.00 C ATOM 61 C GLY A 7 6.991 10.875 3.094 1.00 0.00 C ATOM 62 O GLY A 7 5.783 10.725 2.910 1.00 0.00 O ATOM 0 HA2 GLY A 7 7.466 12.728 2.135 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.679 12.177 3.273 1.00 0.00 H new ATOM 66 N CYS A 8 7.825 9.859 3.287 1.00 0.00 N ATOM 67 CA CYS A 8 7.359 8.477 3.293 1.00 0.00 C ATOM 68 C CYS A 8 6.777 8.105 4.654 1.00 0.00 C ATOM 69 O CYS A 8 7.119 8.706 5.672 1.00 0.00 O ATOM 70 CB CYS A 8 8.505 7.528 2.939 1.00 0.00 C ATOM 71 SG CYS A 8 7.997 6.082 1.956 1.00 0.00 S ATOM 0 H CYS A 8 8.828 9.966 3.441 1.00 0.00 H new ATOM 0 HA CYS A 8 6.574 8.382 2.543 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.263 8.082 2.385 1.00 0.00 H new ATOM 0 HB3 CYS A 8 8.973 7.181 3.860 1.00 0.00 H new ATOM 0 HG CYS A 8 8.862 5.876 1.008 1.00 0.00 H new ATOM 76 N ASP A 9 5.896 7.111 4.662 1.00 0.00 N ATOM 77 CA ASP A 9 5.267 6.657 5.897 1.00 0.00 C ATOM 78 C ASP A 9 5.741 5.254 6.265 1.00 0.00 C ATOM 79 O ASP A 9 5.712 4.865 7.432 1.00 0.00 O ATOM 80 CB ASP A 9 3.744 6.673 5.755 1.00 0.00 C ATOM 81 CG ASP A 9 3.071 5.630 6.625 1.00 0.00 C ATOM 82 OD1 ASP A 9 3.174 4.429 6.298 1.00 0.00 O ATOM 83 OD2 ASP A 9 2.441 6.014 7.632 1.00 0.00 O ATOM 0 H ASP A 9 5.601 6.604 3.827 1.00 0.00 H new ATOM 0 HA ASP A 9 5.557 7.340 6.695 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.368 7.661 6.020 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.477 6.499 4.712 1.00 0.00 H new ATOM 88 N SER A 10 6.177 4.500 5.260 1.00 0.00 N ATOM 89 CA SER A 10 6.653 3.139 5.477 1.00 0.00 C ATOM 90 C SER A 10 8.095 3.141 5.973 1.00 0.00 C ATOM 91 O SER A 10 8.441 2.426 6.915 1.00 0.00 O ATOM 92 CB SER A 10 6.547 2.327 4.185 1.00 0.00 C ATOM 93 OG SER A 10 6.559 0.936 4.454 1.00 0.00 O ATOM 0 H SER A 10 6.210 4.809 4.288 1.00 0.00 H new ATOM 0 HA SER A 10 6.025 2.678 6.240 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.629 2.591 3.660 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.376 2.580 3.524 1.00 0.00 H new ATOM 0 HG SER A 10 6.488 0.439 3.612 1.00 0.00 H new ATOM 99 N CYS A 11 8.934 3.949 5.333 1.00 0.00 N ATOM 100 CA CYS A 11 10.339 4.045 5.707 1.00 0.00 C ATOM 101 C CYS A 11 10.619 5.354 6.439 1.00 0.00 C ATOM 102 O CYS A 11 11.651 5.502 7.093 1.00 0.00 O ATOM 103 CB CYS A 11 11.227 3.942 4.466 1.00 0.00 C ATOM 104 SG CYS A 11 11.199 5.424 3.407 1.00 0.00 S ATOM 0 H CYS A 11 8.664 4.547 4.552 1.00 0.00 H new ATOM 0 HA CYS A 11 10.567 3.218 6.379 1.00 0.00 H new ATOM 0 HB2 CYS A 11 12.253 3.753 4.781 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.911 3.081 3.877 1.00 0.00 H new ATOM 0 HG CYS A 11 10.066 5.483 2.773 1.00 0.00 H new ATOM 109 N GLU A 12 9.693 6.300 6.324 1.00 0.00 N ATOM 110 CA GLU A 12 9.840 7.597 6.975 1.00 0.00 C ATOM 111 C GLU A 12 11.070 8.332 6.450 1.00 0.00 C ATOM 112 O GLU A 12 11.909 8.795 7.223 1.00 0.00 O ATOM 113 CB GLU A 12 9.946 7.422 8.491 1.00 0.00 C ATOM 114 CG GLU A 12 8.604 7.216 9.175 1.00 0.00 C ATOM 115 CD GLU A 12 8.671 6.195 10.294 1.00 0.00 C ATOM 116 OE1 GLU A 12 9.389 6.446 11.285 1.00 0.00 O ATOM 117 OE2 GLU A 12 8.005 5.145 10.179 1.00 0.00 O ATOM 0 H GLU A 12 8.833 6.193 5.786 1.00 0.00 H new ATOM 0 HA GLU A 12 8.956 8.193 6.746 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.589 6.568 8.706 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.430 8.301 8.917 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.255 8.167 9.577 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.870 6.893 8.437 1.00 0.00 H new ATOM 124 N LYS A 13 11.172 8.434 5.129 1.00 0.00 N ATOM 125 CA LYS A 13 12.298 9.113 4.498 1.00 0.00 C ATOM 126 C LYS A 13 11.815 10.092 3.433 1.00 0.00 C ATOM 127 O LYS A 13 11.059 9.724 2.534 1.00 0.00 O ATOM 128 CB LYS A 13 13.250 8.091 3.872 1.00 0.00 C ATOM 129 CG LYS A 13 13.848 7.121 4.877 1.00 0.00 C ATOM 130 CD LYS A 13 15.366 7.150 4.843 1.00 0.00 C ATOM 131 CE LYS A 13 15.958 6.972 6.233 1.00 0.00 C ATOM 132 NZ LYS A 13 16.387 8.270 6.824 1.00 0.00 N ATOM 0 H LYS A 13 10.488 8.055 4.474 1.00 0.00 H new ATOM 0 HA LYS A 13 12.830 9.673 5.267 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.713 7.526 3.110 1.00 0.00 H new ATOM 0 HB3 LYS A 13 14.057 8.621 3.367 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.501 7.373 5.879 1.00 0.00 H new ATOM 0 HG3 LYS A 13 13.497 6.111 4.663 1.00 0.00 H new ATOM 0 HD2 LYS A 13 15.731 6.360 4.187 1.00 0.00 H new ATOM 0 HD3 LYS A 13 15.704 8.097 4.421 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.221 6.503 6.884 1.00 0.00 H new ATOM 0 HE3 LYS A 13 16.812 6.297 6.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.785 8.106 7.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 17.109 8.706 6.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.567 8.905 6.898 1.00 0.00 H new ATOM 146 N TYR A 14 12.258 11.340 3.540 1.00 0.00 N ATOM 147 CA TYR A 14 11.870 12.373 2.586 1.00 0.00 C ATOM 148 C TYR A 14 11.863 11.825 1.163 1.00 0.00 C ATOM 149 O TYR A 14 12.744 11.056 0.777 1.00 0.00 O ATOM 150 CB TYR A 14 12.822 13.567 2.680 1.00 0.00 C ATOM 151 CG TYR A 14 12.194 14.876 2.258 1.00 0.00 C ATOM 152 CD1 TYR A 14 11.284 15.529 3.080 1.00 0.00 C ATOM 153 CD2 TYR A 14 12.511 15.460 1.038 1.00 0.00 C ATOM 154 CE1 TYR A 14 10.707 16.725 2.698 1.00 0.00 C ATOM 155 CE2 TYR A 14 11.941 16.656 0.649 1.00 0.00 C ATOM 156 CZ TYR A 14 11.040 17.285 1.482 1.00 0.00 C ATOM 157 OH TYR A 14 10.468 18.476 1.098 1.00 0.00 O ATOM 0 H TYR A 14 12.886 11.661 4.277 1.00 0.00 H new ATOM 0 HA TYR A 14 10.861 12.701 2.835 1.00 0.00 H new ATOM 0 HB2 TYR A 14 13.177 13.658 3.707 1.00 0.00 H new ATOM 0 HB3 TYR A 14 13.695 13.375 2.057 1.00 0.00 H new ATOM 0 HD1 TYR A 14 11.023 15.094 4.034 1.00 0.00 H new ATOM 0 HD2 TYR A 14 13.216 14.970 0.382 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.999 17.219 3.348 1.00 0.00 H new ATOM 0 HE2 TYR A 14 12.199 17.096 -0.303 1.00 0.00 H new ATOM 0 HH TYR A 14 10.810 18.734 0.216 1.00 0.00 H new ATOM 167 N ILE A 15 10.862 12.227 0.386 1.00 0.00 N ATOM 168 CA ILE A 15 10.741 11.779 -0.995 1.00 0.00 C ATOM 169 C ILE A 15 10.992 12.925 -1.970 1.00 0.00 C ATOM 170 O ILE A 15 10.061 13.605 -2.401 1.00 0.00 O ATOM 171 CB ILE A 15 9.348 11.181 -1.273 1.00 0.00 C ATOM 172 CG1 ILE A 15 8.937 10.243 -0.136 1.00 0.00 C ATOM 173 CG2 ILE A 15 9.344 10.444 -2.603 1.00 0.00 C ATOM 174 CD1 ILE A 15 7.477 9.851 -0.175 1.00 0.00 C ATOM 0 H ILE A 15 10.124 12.862 0.690 1.00 0.00 H new ATOM 0 HA ILE A 15 11.496 11.007 -1.143 1.00 0.00 H new ATOM 0 HB ILE A 15 8.624 11.994 -1.329 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.548 9.342 -0.180 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.150 10.726 0.818 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.353 10.027 -2.785 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.599 11.138 -3.404 1.00 0.00 H new ATOM 0 HG23 ILE A 15 10.077 9.638 -2.574 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.256 9.186 0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.858 10.745 -0.100 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.263 9.339 -1.113 1.00 0.00 H new ATOM 186 N THR A 16 12.259 13.133 -2.315 1.00 0.00 N ATOM 187 CA THR A 16 12.635 14.196 -3.239 1.00 0.00 C ATOM 188 C THR A 16 11.806 14.131 -4.518 1.00 0.00 C ATOM 189 O THR A 16 11.401 15.158 -5.059 1.00 0.00 O ATOM 190 CB THR A 16 14.129 14.120 -3.605 1.00 0.00 C ATOM 191 OG1 THR A 16 14.393 12.920 -4.340 1.00 0.00 O ATOM 192 CG2 THR A 16 14.995 14.156 -2.355 1.00 0.00 C ATOM 0 H THR A 16 13.042 12.579 -1.968 1.00 0.00 H new ATOM 0 HA THR A 16 12.441 15.140 -2.730 1.00 0.00 H new ATOM 0 HB THR A 16 14.374 14.985 -4.222 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.345 12.880 -4.570 1.00 0.00 H new ATOM 0 HG21 THR A 16 16.046 14.101 -2.639 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.813 15.084 -1.813 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.747 13.308 -1.716 1.00 0.00 H new ATOM 200 N GLY A 17 11.558 12.915 -4.995 1.00 0.00 N ATOM 201 CA GLY A 17 10.778 12.739 -6.207 1.00 0.00 C ATOM 202 C GLY A 17 9.291 12.641 -5.930 1.00 0.00 C ATOM 203 O GLY A 17 8.820 13.064 -4.874 1.00 0.00 O ATOM 0 H GLY A 17 11.883 12.049 -4.565 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.965 13.576 -6.880 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.109 11.836 -6.721 1.00 0.00 H new ATOM 207 N ARG A 18 8.549 12.083 -6.881 1.00 0.00 N ATOM 208 CA ARG A 18 7.106 11.934 -6.735 1.00 0.00 C ATOM 209 C ARG A 18 6.771 10.959 -5.610 1.00 0.00 C ATOM 210 O ARG A 18 7.578 10.097 -5.261 1.00 0.00 O ATOM 211 CB ARG A 18 6.487 11.447 -8.047 1.00 0.00 C ATOM 212 CG ARG A 18 6.726 12.386 -9.218 1.00 0.00 C ATOM 213 CD ARG A 18 7.112 11.621 -10.475 1.00 0.00 C ATOM 214 NE ARG A 18 8.365 10.890 -10.308 1.00 0.00 N ATOM 215 CZ ARG A 18 9.557 11.475 -10.259 1.00 0.00 C ATOM 216 NH1 ARG A 18 9.657 12.793 -10.363 1.00 0.00 N ATOM 217 NH2 ARG A 18 10.652 10.741 -10.104 1.00 0.00 N ATOM 0 H ARG A 18 8.923 11.727 -7.761 1.00 0.00 H new ATOM 0 HA ARG A 18 6.689 12.909 -6.484 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.895 10.466 -8.290 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.413 11.320 -7.907 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.825 12.969 -9.408 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.516 13.093 -8.964 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.316 10.922 -10.733 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.207 12.317 -11.308 1.00 0.00 H new ATOM 0 HE ARG A 18 8.323 9.874 -10.224 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.818 13.360 -10.481 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.573 13.240 -10.325 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.579 9.727 -10.022 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.567 11.191 -10.067 1.00 0.00 H new ATOM 231 N VAL A 19 5.576 11.103 -5.046 1.00 0.00 N ATOM 232 CA VAL A 19 5.134 10.235 -3.961 1.00 0.00 C ATOM 233 C VAL A 19 3.802 9.572 -4.295 1.00 0.00 C ATOM 234 O VAL A 19 2.912 10.198 -4.872 1.00 0.00 O ATOM 235 CB VAL A 19 4.989 11.016 -2.641 1.00 0.00 C ATOM 236 CG1 VAL A 19 6.111 12.033 -2.497 1.00 0.00 C ATOM 237 CG2 VAL A 19 3.630 11.696 -2.571 1.00 0.00 C ATOM 0 H VAL A 19 4.897 11.812 -5.322 1.00 0.00 H new ATOM 0 HA VAL A 19 5.898 9.467 -3.839 1.00 0.00 H new ATOM 0 HB VAL A 19 5.060 10.312 -1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.992 12.575 -1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.072 11.518 -2.499 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.074 12.736 -3.329 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.545 12.243 -1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.527 12.389 -3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.843 10.943 -2.625 1.00 0.00 H new ATOM 247 N LEU A 20 3.671 8.303 -3.927 1.00 0.00 N ATOM 248 CA LEU A 20 2.447 7.553 -4.187 1.00 0.00 C ATOM 249 C LEU A 20 1.356 7.929 -3.189 1.00 0.00 C ATOM 250 O LEU A 20 1.343 7.444 -2.059 1.00 0.00 O ATOM 251 CB LEU A 20 2.721 6.050 -4.118 1.00 0.00 C ATOM 252 CG LEU A 20 3.355 5.425 -5.361 1.00 0.00 C ATOM 253 CD1 LEU A 20 3.983 4.082 -5.023 1.00 0.00 C ATOM 254 CD2 LEU A 20 2.320 5.270 -6.466 1.00 0.00 C ATOM 0 H LEU A 20 4.397 7.771 -3.447 1.00 0.00 H new ATOM 0 HA LEU A 20 2.101 7.807 -5.189 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.374 5.859 -3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.779 5.538 -3.919 1.00 0.00 H new ATOM 0 HG LEU A 20 4.142 6.090 -5.718 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.429 3.653 -5.920 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.754 4.221 -4.265 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.217 3.408 -4.641 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.788 4.824 -7.343 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.511 4.626 -6.119 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.918 6.249 -6.728 1.00 0.00 H new ATOM 266 N GLU A 21 0.443 8.795 -3.617 1.00 0.00 N ATOM 267 CA GLU A 21 -0.653 9.235 -2.761 1.00 0.00 C ATOM 268 C GLU A 21 -1.823 8.258 -2.830 1.00 0.00 C ATOM 269 O GLU A 21 -2.376 8.010 -3.901 1.00 0.00 O ATOM 270 CB GLU A 21 -1.118 10.634 -3.168 1.00 0.00 C ATOM 271 CG GLU A 21 -1.152 11.623 -2.015 1.00 0.00 C ATOM 272 CD GLU A 21 -1.173 13.065 -2.484 1.00 0.00 C ATOM 273 OE1 GLU A 21 -2.175 13.470 -3.111 1.00 0.00 O ATOM 274 OE2 GLU A 21 -0.190 13.789 -2.224 1.00 0.00 O ATOM 0 H GLU A 21 0.440 9.206 -4.551 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.288 9.266 -1.734 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.455 11.016 -3.944 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.114 10.564 -3.605 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.033 11.431 -1.403 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.281 11.464 -1.379 1.00 0.00 H new ATOM 281 N ALA A 22 -2.194 7.705 -1.679 1.00 0.00 N ATOM 282 CA ALA A 22 -3.299 6.757 -1.608 1.00 0.00 C ATOM 283 C ALA A 22 -4.242 7.099 -0.460 1.00 0.00 C ATOM 284 O ALA A 22 -4.017 6.700 0.682 1.00 0.00 O ATOM 285 CB ALA A 22 -2.768 5.339 -1.454 1.00 0.00 C ATOM 0 H ALA A 22 -1.745 7.898 -0.783 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.863 6.823 -2.538 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.604 4.641 -1.402 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.140 5.091 -2.310 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.179 5.268 -0.539 1.00 0.00 H new ATOM 291 N GLY A 23 -5.301 7.841 -0.771 1.00 0.00 N ATOM 292 CA GLY A 23 -6.263 8.224 0.246 1.00 0.00 C ATOM 293 C GLY A 23 -5.847 9.474 0.995 1.00 0.00 C ATOM 294 O GLY A 23 -6.482 10.520 0.870 1.00 0.00 O ATOM 0 H GLY A 23 -5.510 8.183 -1.709 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.234 8.390 -0.221 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.385 7.404 0.953 1.00 0.00 H new ATOM 298 N GLU A 24 -4.778 9.365 1.778 1.00 0.00 N ATOM 299 CA GLU A 24 -4.280 10.496 2.552 1.00 0.00 C ATOM 300 C GLU A 24 -2.887 10.206 3.105 1.00 0.00 C ATOM 301 O GLU A 24 -2.543 10.631 4.208 1.00 0.00 O ATOM 302 CB GLU A 24 -5.239 10.818 3.700 1.00 0.00 C ATOM 303 CG GLU A 24 -6.002 12.118 3.509 1.00 0.00 C ATOM 304 CD GLU A 24 -5.324 13.297 4.180 1.00 0.00 C ATOM 305 OE1 GLU A 24 -4.350 13.828 3.606 1.00 0.00 O ATOM 306 OE2 GLU A 24 -5.768 13.688 5.280 1.00 0.00 O ATOM 0 H GLU A 24 -4.241 8.506 1.893 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.216 11.358 1.888 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.952 10.000 3.807 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.674 10.872 4.630 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.105 12.321 2.443 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.009 12.006 3.911 1.00 0.00 H new ATOM 313 N LYS A 25 -2.089 9.480 2.330 1.00 0.00 N ATOM 314 CA LYS A 25 -0.733 9.133 2.739 1.00 0.00 C ATOM 315 C LYS A 25 0.253 9.355 1.597 1.00 0.00 C ATOM 316 O LYS A 25 -0.137 9.729 0.490 1.00 0.00 O ATOM 317 CB LYS A 25 -0.676 7.675 3.200 1.00 0.00 C ATOM 318 CG LYS A 25 -1.583 7.374 4.381 1.00 0.00 C ATOM 319 CD LYS A 25 -0.836 7.481 5.700 1.00 0.00 C ATOM 320 CE LYS A 25 -1.574 8.371 6.688 1.00 0.00 C ATOM 321 NZ LYS A 25 -0.641 9.250 7.446 1.00 0.00 N ATOM 0 H LYS A 25 -2.358 9.120 1.414 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.453 9.782 3.569 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.952 7.028 2.367 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.351 7.428 3.469 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.424 8.067 4.381 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.997 6.371 4.277 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.709 6.487 6.129 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.162 7.882 5.523 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.298 8.985 6.153 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.136 7.751 7.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.182 9.841 8.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.034 8.664 7.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.122 9.860 6.782 1.00 0.00 H new ATOM 335 N HIS A 26 1.532 9.120 1.872 1.00 0.00 N ATOM 336 CA HIS A 26 2.575 9.293 0.866 1.00 0.00 C ATOM 337 C HIS A 26 3.669 8.243 1.032 1.00 0.00 C ATOM 338 O HIS A 26 4.195 8.048 2.128 1.00 0.00 O ATOM 339 CB HIS A 26 3.178 10.694 0.962 1.00 0.00 C ATOM 340 CG HIS A 26 2.176 11.756 1.297 1.00 0.00 C ATOM 341 ND1 HIS A 26 1.684 11.951 2.570 1.00 0.00 N ATOM 342 CD2 HIS A 26 1.575 12.685 0.517 1.00 0.00 C ATOM 343 CE1 HIS A 26 0.823 12.952 2.558 1.00 0.00 C ATOM 344 NE2 HIS A 26 0.739 13.415 1.324 1.00 0.00 N ATOM 0 H HIS A 26 1.871 8.809 2.782 1.00 0.00 H new ATOM 0 HA HIS A 26 2.122 9.168 -0.117 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.961 10.692 1.721 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.654 10.942 0.013 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.725 12.825 -0.543 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.280 13.328 3.412 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.149 14.189 1.020 1.00 0.00 H new ATOM 352 N TYR A 27 4.006 7.569 -0.062 1.00 0.00 N ATOM 353 CA TYR A 27 5.035 6.537 -0.037 1.00 0.00 C ATOM 354 C TYR A 27 5.956 6.655 -1.248 1.00 0.00 C ATOM 355 O TYR A 27 5.640 7.345 -2.218 1.00 0.00 O ATOM 356 CB TYR A 27 4.394 5.148 -0.004 1.00 0.00 C ATOM 357 CG TYR A 27 3.216 5.048 0.938 1.00 0.00 C ATOM 358 CD1 TYR A 27 3.405 4.840 2.299 1.00 0.00 C ATOM 359 CD2 TYR A 27 1.913 5.159 0.467 1.00 0.00 C ATOM 360 CE1 TYR A 27 2.332 4.747 3.163 1.00 0.00 C ATOM 361 CE2 TYR A 27 0.834 5.068 1.325 1.00 0.00 C ATOM 362 CZ TYR A 27 1.048 4.862 2.672 1.00 0.00 C ATOM 363 OH TYR A 27 -0.024 4.770 3.529 1.00 0.00 O ATOM 0 H TYR A 27 3.581 7.719 -0.977 1.00 0.00 H new ATOM 0 HA TYR A 27 5.631 6.677 0.865 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.068 4.883 -1.010 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.147 4.416 0.290 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.409 4.750 2.688 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.741 5.319 -0.587 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.497 4.585 4.218 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.172 5.158 0.943 1.00 0.00 H new ATOM 0 HH TYR A 27 -0.857 4.874 3.023 1.00 0.00 H new ATOM 373 N HIS A 28 7.097 5.977 -1.184 1.00 0.00 N ATOM 374 CA HIS A 28 8.065 6.004 -2.275 1.00 0.00 C ATOM 375 C HIS A 28 7.579 5.165 -3.453 1.00 0.00 C ATOM 376 O HIS A 28 6.693 4.321 -3.322 1.00 0.00 O ATOM 377 CB HIS A 28 9.423 5.492 -1.794 1.00 0.00 C ATOM 378 CG HIS A 28 10.303 6.565 -1.231 1.00 0.00 C ATOM 379 ND1 HIS A 28 10.742 6.569 0.076 1.00 0.00 N ATOM 380 CD2 HIS A 28 10.827 7.672 -1.807 1.00 0.00 C ATOM 381 CE1 HIS A 28 11.497 7.634 0.281 1.00 0.00 C ATOM 382 NE2 HIS A 28 11.565 8.320 -0.846 1.00 0.00 N ATOM 0 H HIS A 28 7.374 5.402 -0.388 1.00 0.00 H new ATOM 0 HA HIS A 28 8.172 7.037 -2.607 1.00 0.00 H new ATOM 0 HB2 HIS A 28 9.265 4.727 -1.034 1.00 0.00 H new ATOM 0 HB3 HIS A 28 9.937 5.012 -2.627 1.00 0.00 H new ATOM 0 HD2 HIS A 28 10.691 7.987 -2.831 1.00 0.00 H new ATOM 0 HE1 HIS A 28 11.977 7.899 1.212 1.00 0.00 H new ATOM 0 HE2 HIS A 28 12.081 9.189 -0.981 1.00 0.00 H new ATOM 390 N PRO A 29 8.172 5.402 -4.633 1.00 0.00 N ATOM 391 CA PRO A 29 7.816 4.678 -5.857 1.00 0.00 C ATOM 392 C PRO A 29 8.257 3.219 -5.817 1.00 0.00 C ATOM 393 O PRO A 29 8.153 2.501 -6.812 1.00 0.00 O ATOM 394 CB PRO A 29 8.573 5.435 -6.950 1.00 0.00 C ATOM 395 CG PRO A 29 9.725 6.065 -6.246 1.00 0.00 C ATOM 396 CD PRO A 29 9.236 6.393 -4.863 1.00 0.00 C ATOM 0 HA PRO A 29 6.737 4.645 -6.011 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.911 4.761 -7.737 1.00 0.00 H new ATOM 0 HB3 PRO A 29 7.940 6.185 -7.423 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.577 5.387 -6.208 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.056 6.964 -6.766 1.00 0.00 H new ATOM 0 HD2 PRO A 29 10.033 6.306 -4.124 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.855 7.413 -4.803 1.00 0.00 H new ATOM 404 N SER A 30 8.749 2.786 -4.661 1.00 0.00 N ATOM 405 CA SER A 30 9.209 1.412 -4.492 1.00 0.00 C ATOM 406 C SER A 30 8.725 0.836 -3.165 1.00 0.00 C ATOM 407 O SER A 30 8.422 -0.353 -3.065 1.00 0.00 O ATOM 408 CB SER A 30 10.736 1.351 -4.560 1.00 0.00 C ATOM 409 OG SER A 30 11.188 0.016 -4.703 1.00 0.00 O ATOM 0 H SER A 30 8.840 3.366 -3.827 1.00 0.00 H new ATOM 0 HA SER A 30 8.792 0.814 -5.302 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.090 1.950 -5.399 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.161 1.787 -3.656 1.00 0.00 H new ATOM 0 HG SER A 30 12.167 0.005 -4.746 1.00 0.00 H new ATOM 415 N CYS A 31 8.655 1.688 -2.148 1.00 0.00 N ATOM 416 CA CYS A 31 8.208 1.266 -0.826 1.00 0.00 C ATOM 417 C CYS A 31 6.784 0.722 -0.881 1.00 0.00 C ATOM 418 O CYS A 31 6.482 -0.317 -0.294 1.00 0.00 O ATOM 419 CB CYS A 31 8.282 2.436 0.158 1.00 0.00 C ATOM 420 SG CYS A 31 9.978 2.914 0.619 1.00 0.00 S ATOM 0 H CYS A 31 8.902 2.675 -2.214 1.00 0.00 H new ATOM 0 HA CYS A 31 8.869 0.470 -0.483 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.780 3.298 -0.281 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.732 2.172 1.061 1.00 0.00 H new ATOM 0 HG CYS A 31 9.938 3.758 1.607 1.00 0.00 H new ATOM 425 N ALA A 32 5.912 1.431 -1.590 1.00 0.00 N ATOM 426 CA ALA A 32 4.521 1.019 -1.724 1.00 0.00 C ATOM 427 C ALA A 32 4.336 0.091 -2.920 1.00 0.00 C ATOM 428 O ALA A 32 4.410 0.523 -4.071 1.00 0.00 O ATOM 429 CB ALA A 32 3.619 2.238 -1.855 1.00 0.00 C ATOM 0 H ALA A 32 6.145 2.294 -2.081 1.00 0.00 H new ATOM 0 HA ALA A 32 4.243 0.470 -0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.583 1.915 -1.954 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.721 2.863 -0.968 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.907 2.810 -2.737 1.00 0.00 H new ATOM 435 N LEU A 33 4.095 -1.185 -2.641 1.00 0.00 N ATOM 436 CA LEU A 33 3.900 -2.175 -3.695 1.00 0.00 C ATOM 437 C LEU A 33 2.631 -2.986 -3.452 1.00 0.00 C ATOM 438 O LEU A 33 2.409 -3.498 -2.354 1.00 0.00 O ATOM 439 CB LEU A 33 5.108 -3.109 -3.774 1.00 0.00 C ATOM 440 CG LEU A 33 6.480 -2.434 -3.770 1.00 0.00 C ATOM 441 CD1 LEU A 33 7.585 -3.471 -3.647 1.00 0.00 C ATOM 442 CD2 LEU A 33 6.667 -1.599 -5.029 1.00 0.00 C ATOM 0 H LEU A 33 4.030 -1.559 -1.694 1.00 0.00 H new ATOM 0 HA LEU A 33 3.795 -1.646 -4.642 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.063 -3.800 -2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.022 -3.706 -4.682 1.00 0.00 H new ATOM 0 HG LEU A 33 6.535 -1.771 -2.907 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.554 -2.972 -3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.462 -4.026 -2.717 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.533 -4.160 -4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.649 -1.126 -5.009 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.591 -2.241 -5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.895 -0.831 -5.074 1.00 0.00 H new ATOM 454 N CYS A 34 1.801 -3.101 -4.484 1.00 0.00 N ATOM 455 CA CYS A 34 0.555 -3.851 -4.384 1.00 0.00 C ATOM 456 C CYS A 34 0.736 -5.094 -3.518 1.00 0.00 C ATOM 457 O CYS A 34 1.426 -6.038 -3.904 1.00 0.00 O ATOM 458 CB CYS A 34 0.065 -4.253 -5.777 1.00 0.00 C ATOM 459 SG CYS A 34 -1.360 -5.388 -5.764 1.00 0.00 S ATOM 0 H CYS A 34 1.969 -2.684 -5.399 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.190 -3.209 -3.915 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.206 -3.353 -6.329 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.886 -4.724 -6.318 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.359 -4.823 -5.154 1.00 0.00 H new ATOM 464 N VAL A 35 0.112 -5.087 -2.345 1.00 0.00 N ATOM 465 CA VAL A 35 0.202 -6.214 -1.424 1.00 0.00 C ATOM 466 C VAL A 35 -0.124 -7.526 -2.128 1.00 0.00 C ATOM 467 O VAL A 35 0.435 -8.573 -1.800 1.00 0.00 O ATOM 468 CB VAL A 35 -0.748 -6.037 -0.225 1.00 0.00 C ATOM 469 CG1 VAL A 35 -0.497 -4.704 0.464 1.00 0.00 C ATOM 470 CG2 VAL A 35 -2.198 -6.149 -0.674 1.00 0.00 C ATOM 0 H VAL A 35 -0.462 -4.313 -2.010 1.00 0.00 H new ATOM 0 HA VAL A 35 1.229 -6.245 -1.062 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.550 -6.833 0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.178 -4.597 1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.532 -4.667 0.821 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.666 -3.892 -0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.856 -6.022 0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.411 -5.376 -1.412 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.367 -7.130 -1.118 1.00 0.00 H new ATOM 480 N ARG A 36 -1.031 -7.462 -3.097 1.00 0.00 N ATOM 481 CA ARG A 36 -1.432 -8.646 -3.847 1.00 0.00 C ATOM 482 C ARG A 36 -0.269 -9.187 -4.672 1.00 0.00 C ATOM 483 O ARG A 36 0.321 -10.214 -4.334 1.00 0.00 O ATOM 484 CB ARG A 36 -2.613 -8.319 -4.764 1.00 0.00 C ATOM 485 CG ARG A 36 -3.351 -9.548 -5.268 1.00 0.00 C ATOM 486 CD ARG A 36 -4.777 -9.596 -4.742 1.00 0.00 C ATOM 487 NE ARG A 36 -5.334 -10.945 -4.793 1.00 0.00 N ATOM 488 CZ ARG A 36 -5.141 -11.856 -3.846 1.00 0.00 C ATOM 489 NH1 ARG A 36 -4.408 -11.565 -2.780 1.00 0.00 N ATOM 490 NH2 ARG A 36 -5.681 -13.063 -3.964 1.00 0.00 N ATOM 0 H ARG A 36 -1.502 -6.603 -3.381 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.736 -9.412 -3.133 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.314 -7.680 -4.226 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.251 -7.747 -5.618 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.364 -9.544 -6.358 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.817 -10.447 -4.958 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.796 -9.234 -3.714 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.403 -8.923 -5.328 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.902 -11.202 -5.600 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.990 -10.639 -2.685 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.262 -12.267 -2.055 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.245 -13.292 -4.783 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.532 -13.762 -3.236 1.00 0.00 H new ATOM 504 N CYS A 37 0.057 -8.490 -5.756 1.00 0.00 N ATOM 505 CA CYS A 37 1.149 -8.900 -6.630 1.00 0.00 C ATOM 506 C CYS A 37 2.457 -8.233 -6.216 1.00 0.00 C ATOM 507 O CYS A 37 3.496 -8.886 -6.121 1.00 0.00 O ATOM 508 CB CYS A 37 0.824 -8.551 -8.084 1.00 0.00 C ATOM 509 SG CYS A 37 0.660 -6.765 -8.401 1.00 0.00 S ATOM 0 H CYS A 37 -0.420 -7.638 -6.050 1.00 0.00 H new ATOM 0 HA CYS A 37 1.268 -9.980 -6.540 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.607 -8.953 -8.727 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.105 -9.046 -8.366 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.102 -6.231 -7.493 1.00 0.00 H new ATOM 514 N GLY A 38 2.398 -6.928 -5.969 1.00 0.00 N ATOM 515 CA GLY A 38 3.584 -6.194 -5.568 1.00 0.00 C ATOM 516 C GLY A 38 4.236 -5.468 -6.727 1.00 0.00 C ATOM 517 O GLY A 38 5.453 -5.286 -6.747 1.00 0.00 O ATOM 0 H GLY A 38 1.550 -6.366 -6.039 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.317 -5.473 -4.795 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.302 -6.884 -5.125 1.00 0.00 H new ATOM 521 N GLN A 39 3.426 -5.054 -7.696 1.00 0.00 N ATOM 522 CA GLN A 39 3.933 -4.346 -8.865 1.00 0.00 C ATOM 523 C GLN A 39 3.891 -2.837 -8.648 1.00 0.00 C ATOM 524 O GLN A 39 2.874 -2.290 -8.222 1.00 0.00 O ATOM 525 CB GLN A 39 3.119 -4.718 -10.106 1.00 0.00 C ATOM 526 CG GLN A 39 3.474 -6.080 -10.680 1.00 0.00 C ATOM 527 CD GLN A 39 4.772 -6.064 -11.463 1.00 0.00 C ATOM 528 OE1 GLN A 39 4.972 -5.221 -12.338 1.00 0.00 O ATOM 529 NE2 GLN A 39 5.663 -6.998 -11.152 1.00 0.00 N ATOM 0 H GLN A 39 2.416 -5.197 -7.694 1.00 0.00 H new ATOM 0 HA GLN A 39 4.970 -4.644 -9.017 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.059 -4.705 -9.853 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.273 -3.958 -10.873 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.553 -6.803 -9.868 1.00 0.00 H new ATOM 0 HG3 GLN A 39 2.667 -6.418 -11.330 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.456 -7.677 -10.420 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.555 -7.036 -11.645 1.00 0.00 H new ATOM 538 N MET A 40 5.001 -2.170 -8.945 1.00 0.00 N ATOM 539 CA MET A 40 5.090 -0.723 -8.783 1.00 0.00 C ATOM 540 C MET A 40 4.004 -0.019 -9.589 1.00 0.00 C ATOM 541 O MET A 40 3.351 -0.628 -10.437 1.00 0.00 O ATOM 542 CB MET A 40 6.469 -0.224 -9.218 1.00 0.00 C ATOM 543 CG MET A 40 7.551 -0.437 -8.172 1.00 0.00 C ATOM 544 SD MET A 40 9.006 -1.270 -8.836 1.00 0.00 S ATOM 545 CE MET A 40 10.006 -1.434 -7.359 1.00 0.00 C ATOM 0 H MET A 40 5.851 -2.608 -9.299 1.00 0.00 H new ATOM 0 HA MET A 40 4.944 -0.490 -7.728 1.00 0.00 H new ATOM 0 HB2 MET A 40 6.758 -0.735 -10.137 1.00 0.00 H new ATOM 0 HB3 MET A 40 6.405 0.839 -9.451 1.00 0.00 H new ATOM 0 HG2 MET A 40 7.846 0.528 -7.759 1.00 0.00 H new ATOM 0 HG3 MET A 40 7.145 -1.025 -7.349 1.00 0.00 H new ATOM 0 HE1 MET A 40 10.795 -2.166 -7.533 1.00 0.00 H new ATOM 0 HE2 MET A 40 10.453 -0.471 -7.113 1.00 0.00 H new ATOM 0 HE3 MET A 40 9.380 -1.766 -6.531 1.00 0.00 H new ATOM 555 N PHE A 41 3.814 1.269 -9.320 1.00 0.00 N ATOM 556 CA PHE A 41 2.805 2.056 -10.019 1.00 0.00 C ATOM 557 C PHE A 41 3.429 3.292 -10.661 1.00 0.00 C ATOM 558 O PHE A 41 4.651 3.419 -10.730 1.00 0.00 O ATOM 559 CB PHE A 41 1.695 2.475 -9.053 1.00 0.00 C ATOM 560 CG PHE A 41 1.254 1.373 -8.132 1.00 0.00 C ATOM 561 CD1 PHE A 41 2.092 0.916 -7.128 1.00 0.00 C ATOM 562 CD2 PHE A 41 0.003 0.794 -8.271 1.00 0.00 C ATOM 563 CE1 PHE A 41 1.690 -0.097 -6.278 1.00 0.00 C ATOM 564 CE2 PHE A 41 -0.404 -0.219 -7.424 1.00 0.00 C ATOM 565 CZ PHE A 41 0.440 -0.666 -6.427 1.00 0.00 C ATOM 0 H PHE A 41 4.346 1.790 -8.623 1.00 0.00 H new ATOM 0 HA PHE A 41 2.377 1.435 -10.806 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.043 3.319 -8.457 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.837 2.823 -9.628 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.071 1.356 -7.008 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.661 1.138 -9.050 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.352 -0.443 -5.498 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.382 -0.661 -7.542 1.00 0.00 H new ATOM 0 HZ PHE A 41 0.124 -1.459 -5.765 1.00 0.00 H new ATOM 575 N ALA A 42 2.579 4.199 -11.131 1.00 0.00 N ATOM 576 CA ALA A 42 3.046 5.426 -11.766 1.00 0.00 C ATOM 577 C ALA A 42 2.909 6.618 -10.825 1.00 0.00 C ATOM 578 O ALA A 42 2.811 6.452 -9.610 1.00 0.00 O ATOM 579 CB ALA A 42 2.277 5.678 -13.055 1.00 0.00 C ATOM 0 H ALA A 42 1.564 4.108 -11.084 1.00 0.00 H new ATOM 0 HA ALA A 42 4.103 5.304 -12.003 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.635 6.597 -13.519 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.429 4.843 -13.739 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.214 5.775 -12.832 1.00 0.00 H new ATOM 585 N GLU A 43 2.906 7.819 -11.395 1.00 0.00 N ATOM 586 CA GLU A 43 2.783 9.038 -10.606 1.00 0.00 C ATOM 587 C GLU A 43 1.366 9.597 -10.684 1.00 0.00 C ATOM 588 O GLU A 43 1.165 10.811 -10.699 1.00 0.00 O ATOM 589 CB GLU A 43 3.785 10.089 -11.090 1.00 0.00 C ATOM 590 CG GLU A 43 3.441 10.678 -12.447 1.00 0.00 C ATOM 591 CD GLU A 43 3.834 12.138 -12.566 1.00 0.00 C ATOM 592 OE1 GLU A 43 4.848 12.531 -11.952 1.00 0.00 O ATOM 593 OE2 GLU A 43 3.128 12.886 -13.274 1.00 0.00 O ATOM 0 H GLU A 43 2.987 7.973 -12.400 1.00 0.00 H new ATOM 0 HA GLU A 43 3.000 8.790 -9.567 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.837 10.894 -10.357 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.776 9.638 -11.140 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.945 10.105 -13.226 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.370 10.579 -12.621 1.00 0.00 H new ATOM 600 N GLY A 44 0.384 8.701 -10.734 1.00 0.00 N ATOM 601 CA GLY A 44 -1.002 9.123 -10.812 1.00 0.00 C ATOM 602 C GLY A 44 -1.913 8.029 -11.333 1.00 0.00 C ATOM 603 O GLY A 44 -2.808 8.289 -12.136 1.00 0.00 O ATOM 0 H GLY A 44 0.524 7.691 -10.722 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.340 9.433 -9.823 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.077 9.994 -11.462 1.00 0.00 H new ATOM 607 N GLU A 45 -1.683 6.802 -10.876 1.00 0.00 N ATOM 608 CA GLU A 45 -2.489 5.665 -11.304 1.00 0.00 C ATOM 609 C GLU A 45 -3.792 5.593 -10.512 1.00 0.00 C ATOM 610 O GLU A 45 -3.857 6.034 -9.365 1.00 0.00 O ATOM 611 CB GLU A 45 -1.704 4.363 -11.135 1.00 0.00 C ATOM 612 CG GLU A 45 -0.694 4.114 -12.243 1.00 0.00 C ATOM 613 CD GLU A 45 -1.348 3.923 -13.597 1.00 0.00 C ATOM 614 OE1 GLU A 45 -1.635 4.938 -14.266 1.00 0.00 O ATOM 615 OE2 GLU A 45 -1.572 2.759 -13.989 1.00 0.00 O ATOM 0 H GLU A 45 -0.946 6.570 -10.210 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.732 5.800 -12.358 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.183 4.384 -10.178 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.404 3.528 -11.099 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.001 4.954 -12.294 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.105 3.230 -12.000 1.00 0.00 H new ATOM 622 N GLU A 46 -4.825 5.033 -11.133 1.00 0.00 N ATOM 623 CA GLU A 46 -6.126 4.904 -10.487 1.00 0.00 C ATOM 624 C GLU A 46 -6.345 3.479 -9.986 1.00 0.00 C ATOM 625 O GLU A 46 -6.400 2.535 -10.773 1.00 0.00 O ATOM 626 CB GLU A 46 -7.243 5.293 -11.457 1.00 0.00 C ATOM 627 CG GLU A 46 -7.253 6.770 -11.813 1.00 0.00 C ATOM 628 CD GLU A 46 -7.073 7.014 -13.299 1.00 0.00 C ATOM 629 OE1 GLU A 46 -6.016 6.624 -13.839 1.00 0.00 O ATOM 630 OE2 GLU A 46 -7.987 7.594 -13.921 1.00 0.00 O ATOM 0 H GLU A 46 -4.786 4.662 -12.082 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.147 5.579 -9.631 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.139 4.708 -12.371 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.204 5.028 -11.016 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.195 7.212 -11.488 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.458 7.277 -11.267 1.00 0.00 H new ATOM 637 N MET A 47 -6.470 3.334 -8.671 1.00 0.00 N ATOM 638 CA MET A 47 -6.684 2.025 -8.064 1.00 0.00 C ATOM 639 C MET A 47 -7.441 2.154 -6.746 1.00 0.00 C ATOM 640 O MET A 47 -7.520 3.238 -6.168 1.00 0.00 O ATOM 641 CB MET A 47 -5.346 1.322 -7.831 1.00 0.00 C ATOM 642 CG MET A 47 -4.324 2.184 -7.108 1.00 0.00 C ATOM 643 SD MET A 47 -2.968 2.700 -8.180 1.00 0.00 S ATOM 644 CE MET A 47 -1.789 3.297 -6.971 1.00 0.00 C ATOM 0 H MET A 47 -6.427 4.106 -8.006 1.00 0.00 H new ATOM 0 HA MET A 47 -7.285 1.428 -8.750 1.00 0.00 H new ATOM 0 HB2 MET A 47 -5.518 0.414 -7.252 1.00 0.00 H new ATOM 0 HB3 MET A 47 -4.934 1.014 -8.792 1.00 0.00 H new ATOM 0 HG2 MET A 47 -4.820 3.067 -6.705 1.00 0.00 H new ATOM 0 HG3 MET A 47 -3.921 1.630 -6.260 1.00 0.00 H new ATOM 0 HE1 MET A 47 -0.940 3.749 -7.483 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.266 4.042 -6.334 1.00 0.00 H new ATOM 0 HE3 MET A 47 -1.442 2.464 -6.359 1.00 0.00 H new ATOM 654 N TYR A 48 -7.995 1.042 -6.276 1.00 0.00 N ATOM 655 CA TYR A 48 -8.747 1.032 -5.027 1.00 0.00 C ATOM 656 C TYR A 48 -7.808 1.043 -3.825 1.00 0.00 C ATOM 657 O TYR A 48 -6.709 0.490 -3.876 1.00 0.00 O ATOM 658 CB TYR A 48 -9.657 -0.196 -4.966 1.00 0.00 C ATOM 659 CG TYR A 48 -10.483 -0.401 -6.216 1.00 0.00 C ATOM 660 CD1 TYR A 48 -11.577 0.410 -6.490 1.00 0.00 C ATOM 661 CD2 TYR A 48 -10.168 -1.406 -7.122 1.00 0.00 C ATOM 662 CE1 TYR A 48 -12.334 0.226 -7.631 1.00 0.00 C ATOM 663 CE2 TYR A 48 -10.919 -1.596 -8.266 1.00 0.00 C ATOM 664 CZ TYR A 48 -12.001 -0.779 -8.516 1.00 0.00 C ATOM 665 OH TYR A 48 -12.752 -0.965 -9.654 1.00 0.00 O ATOM 0 H TYR A 48 -7.937 0.136 -6.741 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.360 1.933 -4.994 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.046 -1.082 -4.795 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.326 -0.100 -4.111 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.840 1.198 -5.799 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.322 -2.049 -6.929 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.182 0.865 -7.829 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.660 -2.381 -8.961 1.00 0.00 H new ATOM 0 HH TYR A 48 -12.384 -1.712 -10.170 1.00 0.00 H new ATOM 675 N LEU A 49 -8.249 1.677 -2.744 1.00 0.00 N ATOM 676 CA LEU A 49 -7.449 1.762 -1.527 1.00 0.00 C ATOM 677 C LEU A 49 -8.255 1.309 -0.314 1.00 0.00 C ATOM 678 O LEU A 49 -9.449 1.587 -0.212 1.00 0.00 O ATOM 679 CB LEU A 49 -6.952 3.193 -1.318 1.00 0.00 C ATOM 680 CG LEU A 49 -5.640 3.556 -2.014 1.00 0.00 C ATOM 681 CD1 LEU A 49 -4.485 2.759 -1.426 1.00 0.00 C ATOM 682 CD2 LEU A 49 -5.747 3.316 -3.513 1.00 0.00 C ATOM 0 H LEU A 49 -9.156 2.140 -2.685 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.591 1.099 -1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.725 3.879 -1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.831 3.362 -0.248 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.445 4.616 -1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.560 3.031 -1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.394 2.981 -0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.673 1.694 -1.560 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.804 3.580 -3.992 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.966 2.265 -3.698 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.547 3.932 -3.924 1.00 0.00 H new ATOM 694 N GLN A 50 -7.592 0.612 0.604 1.00 0.00 N ATOM 695 CA GLN A 50 -8.248 0.122 1.811 1.00 0.00 C ATOM 696 C GLN A 50 -7.336 0.273 3.024 1.00 0.00 C ATOM 697 O GLN A 50 -6.188 -0.168 3.009 1.00 0.00 O ATOM 698 CB GLN A 50 -8.650 -1.344 1.640 1.00 0.00 C ATOM 699 CG GLN A 50 -10.148 -1.580 1.747 1.00 0.00 C ATOM 700 CD GLN A 50 -10.607 -2.785 0.951 1.00 0.00 C ATOM 701 OE1 GLN A 50 -10.263 -2.937 -0.222 1.00 0.00 O ATOM 702 NE2 GLN A 50 -11.388 -3.652 1.585 1.00 0.00 N ATOM 0 H GLN A 50 -6.602 0.374 0.535 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.145 0.720 1.975 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.303 -1.696 0.668 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.141 -1.942 2.396 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.416 -1.718 2.794 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.677 -0.694 1.396 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.649 -3.487 2.557 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -11.727 -4.483 1.100 1.00 0.00 H new ATOM 711 N GLY A 51 -7.856 0.901 4.075 1.00 0.00 N ATOM 712 CA GLY A 51 -7.075 1.099 5.282 1.00 0.00 C ATOM 713 C GLY A 51 -5.758 1.800 5.012 1.00 0.00 C ATOM 714 O GLY A 51 -5.676 3.026 5.075 1.00 0.00 O ATOM 0 H GLY A 51 -8.804 1.276 4.112 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.655 1.685 5.995 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.880 0.133 5.748 1.00 0.00 H new ATOM 718 N SER A 52 -4.725 1.019 4.712 1.00 0.00 N ATOM 719 CA SER A 52 -3.404 1.572 4.437 1.00 0.00 C ATOM 720 C SER A 52 -2.633 0.679 3.469 1.00 0.00 C ATOM 721 O SER A 52 -1.405 0.608 3.517 1.00 0.00 O ATOM 722 CB SER A 52 -2.615 1.734 5.737 1.00 0.00 C ATOM 723 OG SER A 52 -2.537 0.508 6.443 1.00 0.00 O ATOM 0 H SER A 52 -4.777 0.002 4.653 1.00 0.00 H new ATOM 0 HA SER A 52 -3.535 2.551 3.976 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.610 2.093 5.514 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.091 2.488 6.363 1.00 0.00 H new ATOM 0 HG SER A 52 -2.026 0.638 7.269 1.00 0.00 H new ATOM 729 N SER A 53 -3.363 0.000 2.590 1.00 0.00 N ATOM 730 CA SER A 53 -2.750 -0.891 1.613 1.00 0.00 C ATOM 731 C SER A 53 -3.207 -0.544 0.199 1.00 0.00 C ATOM 732 O SER A 53 -4.352 -0.145 -0.014 1.00 0.00 O ATOM 733 CB SER A 53 -3.097 -2.347 1.930 1.00 0.00 C ATOM 734 OG SER A 53 -2.974 -2.610 3.317 1.00 0.00 O ATOM 0 H SER A 53 -4.380 0.050 2.535 1.00 0.00 H new ATOM 0 HA SER A 53 -1.669 -0.762 1.669 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.115 -2.561 1.605 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.438 -3.011 1.371 1.00 0.00 H new ATOM 0 HG SER A 53 -3.203 -3.546 3.494 1.00 0.00 H new ATOM 740 N ILE A 54 -2.303 -0.700 -0.763 1.00 0.00 N ATOM 741 CA ILE A 54 -2.613 -0.404 -2.156 1.00 0.00 C ATOM 742 C ILE A 54 -3.077 -1.655 -2.894 1.00 0.00 C ATOM 743 O ILE A 54 -2.319 -2.612 -3.050 1.00 0.00 O ATOM 744 CB ILE A 54 -1.395 0.189 -2.890 1.00 0.00 C ATOM 745 CG1 ILE A 54 -0.973 1.508 -2.240 1.00 0.00 C ATOM 746 CG2 ILE A 54 -1.714 0.396 -4.363 1.00 0.00 C ATOM 747 CD1 ILE A 54 0.400 1.979 -2.665 1.00 0.00 C ATOM 0 H ILE A 54 -1.351 -1.029 -0.603 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.418 0.331 -2.151 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.565 -0.514 -2.813 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.705 2.277 -2.488 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.989 1.391 -1.156 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.844 0.815 -4.868 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.971 -0.561 -4.817 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.556 1.082 -4.460 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.633 2.919 -2.165 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.143 1.229 -2.392 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.415 2.128 -3.745 1.00 0.00 H new ATOM 759 N TRP A 55 -4.326 -1.640 -3.345 1.00 0.00 N ATOM 760 CA TRP A 55 -4.891 -2.773 -4.069 1.00 0.00 C ATOM 761 C TRP A 55 -5.166 -2.408 -5.523 1.00 0.00 C ATOM 762 O TRP A 55 -5.870 -1.439 -5.808 1.00 0.00 O ATOM 763 CB TRP A 55 -6.181 -3.242 -3.395 1.00 0.00 C ATOM 764 CG TRP A 55 -5.993 -3.637 -1.961 1.00 0.00 C ATOM 765 CD1 TRP A 55 -6.164 -2.843 -0.863 1.00 0.00 C ATOM 766 CD2 TRP A 55 -5.597 -4.923 -1.472 1.00 0.00 C ATOM 767 NE1 TRP A 55 -5.897 -3.558 0.279 1.00 0.00 N ATOM 768 CE2 TRP A 55 -5.548 -4.836 -0.067 1.00 0.00 C ATOM 769 CE3 TRP A 55 -5.281 -6.139 -2.083 1.00 0.00 C ATOM 770 CZ2 TRP A 55 -5.195 -5.920 0.734 1.00 0.00 C ATOM 771 CZ3 TRP A 55 -4.930 -7.213 -1.287 1.00 0.00 C ATOM 772 CH2 TRP A 55 -4.890 -7.098 0.109 1.00 0.00 C ATOM 0 H TRP A 55 -4.967 -0.856 -3.222 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.163 -3.584 -4.050 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.922 -2.445 -3.450 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -6.584 -4.090 -3.948 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.465 -1.806 -0.889 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -5.950 -3.196 1.231 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -5.310 -6.238 -3.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.163 -5.833 1.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.682 -8.157 -1.749 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.613 -7.956 0.703 1.00 0.00 H new ATOM 783 N HIS A 56 -4.606 -3.190 -6.441 1.00 0.00 N ATOM 784 CA HIS A 56 -4.793 -2.949 -7.868 1.00 0.00 C ATOM 785 C HIS A 56 -6.260 -3.101 -8.257 1.00 0.00 C ATOM 786 O HIS A 56 -7.068 -3.666 -7.519 1.00 0.00 O ATOM 787 CB HIS A 56 -3.933 -3.912 -8.686 1.00 0.00 C ATOM 788 CG HIS A 56 -2.603 -3.344 -9.076 1.00 0.00 C ATOM 789 ND1 HIS A 56 -1.407 -3.977 -8.812 1.00 0.00 N ATOM 790 CD2 HIS A 56 -2.285 -2.195 -9.717 1.00 0.00 C ATOM 791 CE1 HIS A 56 -0.411 -3.242 -9.271 1.00 0.00 C ATOM 792 NE2 HIS A 56 -0.916 -2.154 -9.826 1.00 0.00 N ATOM 0 H HIS A 56 -4.019 -3.995 -6.223 1.00 0.00 H new ATOM 0 HA HIS A 56 -4.483 -1.926 -8.083 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -3.775 -4.824 -8.110 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.476 -4.195 -9.587 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -1.307 -4.874 -8.336 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -2.979 -1.449 -10.076 1.00 0.00 H new ATOM 0 HE1 HIS A 56 0.638 -3.488 -9.204 1.00 0.00 H new ATOM 800 N PRO A 57 -6.614 -2.586 -9.444 1.00 0.00 N ATOM 801 CA PRO A 57 -7.985 -2.653 -9.958 1.00 0.00 C ATOM 802 C PRO A 57 -8.392 -4.072 -10.342 1.00 0.00 C ATOM 803 O PRO A 57 -9.551 -4.457 -10.193 1.00 0.00 O ATOM 804 CB PRO A 57 -7.944 -1.755 -11.197 1.00 0.00 C ATOM 805 CG PRO A 57 -6.519 -1.776 -11.633 1.00 0.00 C ATOM 806 CD PRO A 57 -5.704 -1.900 -10.375 1.00 0.00 C ATOM 0 HA PRO A 57 -8.715 -2.340 -9.212 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -8.603 -2.130 -11.980 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.272 -0.742 -10.963 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -6.329 -2.612 -12.306 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -6.263 -0.866 -12.176 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.793 -2.474 -10.542 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.401 -0.924 -9.995 1.00 0.00 H new ATOM 814 N ALA A 58 -7.431 -4.845 -10.836 1.00 0.00 N ATOM 815 CA ALA A 58 -7.689 -6.222 -11.239 1.00 0.00 C ATOM 816 C ALA A 58 -7.403 -7.190 -10.096 1.00 0.00 C ATOM 817 O ALA A 58 -8.101 -8.191 -9.928 1.00 0.00 O ATOM 818 CB ALA A 58 -6.854 -6.580 -12.459 1.00 0.00 C ATOM 0 H ALA A 58 -6.466 -4.541 -10.967 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.744 -6.308 -11.498 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -7.057 -7.611 -12.749 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.110 -5.914 -13.283 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.796 -6.472 -12.220 1.00 0.00 H new ATOM 824 N CYS A 59 -6.373 -6.888 -9.314 1.00 0.00 N ATOM 825 CA CYS A 59 -5.993 -7.732 -8.188 1.00 0.00 C ATOM 826 C CYS A 59 -7.096 -7.761 -7.134 1.00 0.00 C ATOM 827 O CYS A 59 -7.661 -8.815 -6.841 1.00 0.00 O ATOM 828 CB CYS A 59 -4.690 -7.230 -7.564 1.00 0.00 C ATOM 829 SG CYS A 59 -3.263 -7.261 -8.696 1.00 0.00 S ATOM 0 H CYS A 59 -5.785 -6.064 -9.440 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.843 -8.745 -8.560 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.838 -6.209 -7.211 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.460 -7.839 -6.690 1.00 0.00 H new ATOM 0 HG CYS A 59 -2.245 -6.687 -8.127 1.00 0.00 H new ATOM 834 N ARG A 60 -7.398 -6.597 -6.568 1.00 0.00 N ATOM 835 CA ARG A 60 -8.432 -6.489 -5.546 1.00 0.00 C ATOM 836 C ARG A 60 -9.598 -7.424 -5.852 1.00 0.00 C ATOM 837 O ARG A 60 -10.019 -8.205 -5.000 1.00 0.00 O ATOM 838 CB ARG A 60 -8.933 -5.047 -5.448 1.00 0.00 C ATOM 839 CG ARG A 60 -9.602 -4.723 -4.122 1.00 0.00 C ATOM 840 CD ARG A 60 -11.114 -4.857 -4.214 1.00 0.00 C ATOM 841 NE ARG A 60 -11.803 -3.736 -3.581 1.00 0.00 N ATOM 842 CZ ARG A 60 -13.029 -3.346 -3.910 1.00 0.00 C ATOM 843 NH1 ARG A 60 -13.698 -3.984 -4.860 1.00 0.00 N ATOM 844 NH2 ARG A 60 -13.589 -2.316 -3.288 1.00 0.00 N ATOM 0 H ARG A 60 -6.941 -5.715 -6.800 1.00 0.00 H new ATOM 0 HA ARG A 60 -7.996 -6.781 -4.591 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.093 -4.369 -5.597 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.640 -4.861 -6.257 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.223 -5.391 -3.349 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.343 -3.708 -3.821 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -11.409 -4.919 -5.261 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.425 -5.788 -3.740 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.316 -3.224 -2.845 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.271 -4.776 -5.340 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.640 -3.683 -5.111 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.078 -1.823 -2.556 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.531 -2.018 -3.542 1.00 0.00 H new ATOM 858 N GLN A 61 -10.116 -7.336 -7.074 1.00 0.00 N ATOM 859 CA GLN A 61 -11.234 -8.174 -7.491 1.00 0.00 C ATOM 860 C GLN A 61 -11.044 -9.611 -7.017 1.00 0.00 C ATOM 861 O GLN A 61 -11.944 -10.201 -6.419 1.00 0.00 O ATOM 862 CB GLN A 61 -11.382 -8.142 -9.013 1.00 0.00 C ATOM 863 CG GLN A 61 -11.959 -6.838 -9.541 1.00 0.00 C ATOM 864 CD GLN A 61 -13.474 -6.810 -9.498 1.00 0.00 C ATOM 865 OE1 GLN A 61 -14.121 -7.845 -9.331 1.00 0.00 O ATOM 866 NE2 GLN A 61 -14.049 -5.623 -9.648 1.00 0.00 N ATOM 0 H GLN A 61 -9.779 -6.694 -7.791 1.00 0.00 H new ATOM 0 HA GLN A 61 -12.142 -7.778 -7.036 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -10.406 -8.308 -9.468 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -12.024 -8.966 -9.325 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -11.567 -6.008 -8.953 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -11.626 -6.687 -10.568 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -13.474 -4.791 -9.784 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -15.066 -5.543 -9.627 1.00 0.00 H new ATOM 875 N ALA A 62 -9.868 -10.168 -7.287 1.00 0.00 N ATOM 876 CA ALA A 62 -9.561 -11.535 -6.887 1.00 0.00 C ATOM 877 C ALA A 62 -9.496 -11.661 -5.369 1.00 0.00 C ATOM 878 O ALA A 62 -9.921 -12.667 -4.801 1.00 0.00 O ATOM 879 CB ALA A 62 -8.249 -11.986 -7.512 1.00 0.00 C ATOM 0 H ALA A 62 -9.112 -9.693 -7.781 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.363 -12.181 -7.245 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.032 -13.009 -7.205 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.330 -11.943 -8.598 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.444 -11.330 -7.182 1.00 0.00 H new ATOM 885 N ALA A 63 -8.959 -10.635 -4.717 1.00 0.00 N ATOM 886 CA ALA A 63 -8.840 -10.631 -3.264 1.00 0.00 C ATOM 887 C ALA A 63 -10.127 -10.141 -2.609 1.00 0.00 C ATOM 888 O ALA A 63 -10.091 -9.398 -1.628 1.00 0.00 O ATOM 889 CB ALA A 63 -7.664 -9.766 -2.834 1.00 0.00 C ATOM 0 H ALA A 63 -8.599 -9.796 -5.172 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.663 -11.655 -2.935 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.586 -9.772 -1.747 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.744 -10.162 -3.265 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.818 -8.744 -3.181 1.00 0.00 H new ATOM 895 N ARG A 64 -11.262 -10.561 -3.158 1.00 0.00 N ATOM 896 CA ARG A 64 -12.560 -10.163 -2.627 1.00 0.00 C ATOM 897 C ARG A 64 -13.034 -11.143 -1.558 1.00 0.00 C ATOM 898 O ARG A 64 -13.694 -10.755 -0.593 1.00 0.00 O ATOM 899 CB ARG A 64 -13.593 -10.082 -3.754 1.00 0.00 C ATOM 900 CG ARG A 64 -13.874 -8.664 -4.222 1.00 0.00 C ATOM 901 CD ARG A 64 -15.296 -8.239 -3.888 1.00 0.00 C ATOM 902 NE ARG A 64 -15.678 -7.013 -4.583 1.00 0.00 N ATOM 903 CZ ARG A 64 -16.664 -6.218 -4.182 1.00 0.00 C ATOM 904 NH1 ARG A 64 -17.363 -6.518 -3.096 1.00 0.00 N ATOM 905 NH2 ARG A 64 -16.952 -5.119 -4.868 1.00 0.00 N ATOM 0 H ARG A 64 -11.309 -11.177 -3.970 1.00 0.00 H new ATOM 0 HA ARG A 64 -12.452 -9.179 -2.171 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -13.242 -10.672 -4.601 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -14.525 -10.535 -3.415 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -13.168 -7.978 -3.753 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -13.716 -8.597 -5.298 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -15.986 -9.039 -4.157 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -15.386 -8.089 -2.812 1.00 0.00 H new ATOM 0 HE ARG A 64 -15.160 -6.753 -5.422 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -17.144 -7.361 -2.566 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -18.119 -5.905 -2.791 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -16.416 -4.884 -5.704 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -17.709 -4.509 -4.560 1.00 0.00 H new