USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 383 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 36 CYS SG : rot -158:sc= -1.1 USER MOD Set 1.2: A 39 CYS SG : rot 160:sc= 0.44 USER MOD Set 1.3: A 57 CYS SG : rot -128:sc= 1.61 USER MOD Set 1.4: A 60 CYS SG : rot 110:sc= -1.23 USER MOD Set 2.1: A 8 CYS SG : rot 158:sc= 1.31 USER MOD Set 2.2: A 11 CYS SG : rot -47:sc= 0.861 USER MOD Set 2.3: A 30 HIS : no HE2:sc= -2.36! C(o=-1.1!,f=-4.8!) USER MOD Set 2.4: A 33 CYS SG : rot -160:sc= -0.904 USER MOD Single : A 37 SER OG : rot -130:sc= -0.218 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc=-0.00804 X(o=-0.008,f=-0.47) USER MOD Single : A 46 GLN : amide:sc= -3.54! C(o=-3.5!,f=-7.4!) USER MOD Single : A 47 HIS :FLIP no HE2:sc= -0.156 F(o=-1.2!,f=-0.16) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 30:sc= -0.878 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -54:sc= 0.592 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -12.093 2.764 0.651 1.00 0.00 N ATOM 60 CA GLY A 7 -11.795 2.870 -0.766 1.00 0.00 C ATOM 61 C GLY A 7 -10.391 2.404 -1.099 1.00 0.00 C ATOM 62 O GLY A 7 -9.521 2.359 -0.229 1.00 0.00 O ATOM 0 HA2 GLY A 7 -12.515 2.278 -1.331 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.916 3.906 -1.083 1.00 0.00 H new ATOM 66 N CYS A 8 -10.170 2.054 -2.362 1.00 0.00 N ATOM 67 CA CYS A 8 -8.863 1.587 -2.809 1.00 0.00 C ATOM 68 C CYS A 8 -8.051 2.732 -3.405 1.00 0.00 C ATOM 69 O CYS A 8 -8.355 3.224 -4.491 1.00 0.00 O ATOM 70 CB CYS A 8 -9.024 0.469 -3.841 1.00 0.00 C ATOM 71 SG CYS A 8 -7.449 -0.162 -4.505 1.00 0.00 S ATOM 0 H CYS A 8 -10.880 2.085 -3.094 1.00 0.00 H new ATOM 0 HA CYS A 8 -8.327 1.198 -1.943 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.570 -0.356 -3.385 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -9.633 0.836 -4.667 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.625 -1.362 -4.973 1.00 0.00 H new ATOM 76 N GLY A 9 -7.014 3.152 -2.686 1.00 0.00 N ATOM 77 CA GLY A 9 -6.174 4.236 -3.160 1.00 0.00 C ATOM 78 C GLY A 9 -5.584 3.958 -4.528 1.00 0.00 C ATOM 79 O GLY A 9 -5.311 4.881 -5.294 1.00 0.00 O ATOM 0 H GLY A 9 -6.741 2.761 -1.784 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.760 5.154 -3.200 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.367 4.404 -2.447 1.00 0.00 H new ATOM 83 N GLY A 10 -5.385 2.679 -4.836 1.00 0.00 N ATOM 84 CA GLY A 10 -4.824 2.305 -6.121 1.00 0.00 C ATOM 85 C GLY A 10 -5.758 2.613 -7.274 1.00 0.00 C ATOM 86 O GLY A 10 -5.529 3.554 -8.035 1.00 0.00 O ATOM 0 H GLY A 10 -5.602 1.897 -4.219 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.882 2.833 -6.270 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.595 1.239 -6.118 1.00 0.00 H new ATOM 90 N CYS A 11 -6.814 1.817 -7.407 1.00 0.00 N ATOM 91 CA CYS A 11 -7.786 2.008 -8.477 1.00 0.00 C ATOM 92 C CYS A 11 -8.880 2.983 -8.051 1.00 0.00 C ATOM 93 O CYS A 11 -9.232 3.899 -8.793 1.00 0.00 O ATOM 94 CB CYS A 11 -8.409 0.667 -8.873 1.00 0.00 C ATOM 95 SG CYS A 11 -9.230 -0.205 -7.501 1.00 0.00 S ATOM 0 H CYS A 11 -7.018 1.033 -6.787 1.00 0.00 H new ATOM 0 HA CYS A 11 -7.265 2.428 -9.337 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -9.135 0.837 -9.668 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -7.631 0.024 -9.284 1.00 0.00 H new ATOM 0 HG CYS A 11 -8.452 -0.206 -6.460 1.00 0.00 H new ATOM 100 N GLY A 12 -9.413 2.779 -6.850 1.00 0.00 N ATOM 101 CA GLY A 12 -10.461 3.647 -6.346 1.00 0.00 C ATOM 102 C GLY A 12 -11.678 2.875 -5.876 1.00 0.00 C ATOM 103 O GLY A 12 -12.350 3.281 -4.929 1.00 0.00 O ATOM 0 H GLY A 12 -9.138 2.028 -6.217 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.070 4.241 -5.520 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.758 4.345 -7.129 1.00 0.00 H new ATOM 107 N GLU A 13 -11.962 1.760 -6.541 1.00 0.00 N ATOM 108 CA GLU A 13 -13.109 0.932 -6.187 1.00 0.00 C ATOM 109 C GLU A 13 -13.064 0.543 -4.712 1.00 0.00 C ATOM 110 O GLU A 13 -11.997 0.265 -4.164 1.00 0.00 O ATOM 111 CB GLU A 13 -13.145 -0.327 -7.056 1.00 0.00 C ATOM 112 CG GLU A 13 -13.214 -0.036 -8.546 1.00 0.00 C ATOM 113 CD GLU A 13 -13.950 -1.115 -9.317 1.00 0.00 C ATOM 114 OE1 GLU A 13 -14.960 -1.632 -8.795 1.00 0.00 O ATOM 115 OE2 GLU A 13 -13.517 -1.441 -10.441 1.00 0.00 O ATOM 0 H GLU A 13 -11.414 1.409 -7.327 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.013 1.514 -6.365 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.257 -0.925 -6.852 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.007 -0.930 -6.772 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.711 0.921 -8.703 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.203 0.062 -8.941 1.00 0.00 H new ATOM 122 N ASP A 14 -14.230 0.528 -4.075 1.00 0.00 N ATOM 123 CA ASP A 14 -14.325 0.173 -2.663 1.00 0.00 C ATOM 124 C ASP A 14 -13.675 -1.181 -2.398 1.00 0.00 C ATOM 125 O ASP A 14 -13.668 -2.058 -3.262 1.00 0.00 O ATOM 126 CB ASP A 14 -15.789 0.147 -2.220 1.00 0.00 C ATOM 127 CG ASP A 14 -16.567 1.348 -2.719 1.00 0.00 C ATOM 128 OD1 ASP A 14 -15.947 2.413 -2.923 1.00 0.00 O ATOM 129 OD2 ASP A 14 -17.796 1.225 -2.904 1.00 0.00 O ATOM 0 H ASP A 14 -15.122 0.757 -4.513 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.793 0.929 -2.086 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -16.260 -0.765 -2.587 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.835 0.115 -1.131 1.00 0.00 H new ATOM 134 N VAL A 15 -13.129 -1.344 -1.197 1.00 0.00 N ATOM 135 CA VAL A 15 -12.476 -2.592 -0.817 1.00 0.00 C ATOM 136 C VAL A 15 -13.289 -3.339 0.234 1.00 0.00 C ATOM 137 O VAL A 15 -13.374 -2.913 1.386 1.00 0.00 O ATOM 138 CB VAL A 15 -11.058 -2.340 -0.272 1.00 0.00 C ATOM 139 CG1 VAL A 15 -10.396 -3.652 0.120 1.00 0.00 C ATOM 140 CG2 VAL A 15 -10.218 -1.594 -1.297 1.00 0.00 C ATOM 0 H VAL A 15 -13.126 -0.628 -0.471 1.00 0.00 H new ATOM 0 HA VAL A 15 -12.407 -3.201 -1.718 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.135 -1.719 0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.395 -3.454 0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.989 -4.143 0.892 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.329 -4.301 -0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.219 -1.425 -0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.146 -2.186 -2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.686 -0.636 -1.523 1.00 0.00 H new ATOM 202 N GLY A 21 -8.289 -6.783 1.986 1.00 0.00 N ATOM 203 CA GLY A 21 -8.019 -5.364 2.122 1.00 0.00 C ATOM 204 C GLY A 21 -6.662 -5.087 2.738 1.00 0.00 C ATOM 205 O GLY A 21 -6.459 -5.302 3.933 1.00 0.00 O ATOM 0 HA2 GLY A 21 -8.072 -4.892 1.141 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.794 -4.908 2.738 1.00 0.00 H new ATOM 209 N VAL A 22 -5.729 -4.610 1.920 1.00 0.00 N ATOM 210 CA VAL A 22 -4.384 -4.304 2.392 1.00 0.00 C ATOM 211 C VAL A 22 -4.287 -2.863 2.880 1.00 0.00 C ATOM 212 O VAL A 22 -4.565 -1.924 2.134 1.00 0.00 O ATOM 213 CB VAL A 22 -3.336 -4.532 1.285 1.00 0.00 C ATOM 214 CG1 VAL A 22 -1.944 -4.179 1.787 1.00 0.00 C ATOM 215 CG2 VAL A 22 -3.386 -5.970 0.793 1.00 0.00 C ATOM 0 H VAL A 22 -5.880 -4.427 0.928 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.178 -4.980 3.222 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.570 -3.877 0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.217 -4.346 0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.920 -3.131 2.086 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.696 -4.806 2.643 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.640 -6.113 0.012 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.178 -6.646 1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.377 -6.183 0.392 1.00 0.00 H new ATOM 225 N VAL A 23 -3.890 -2.696 4.137 1.00 0.00 N ATOM 226 CA VAL A 23 -3.754 -1.369 4.726 1.00 0.00 C ATOM 227 C VAL A 23 -2.287 -0.974 4.858 1.00 0.00 C ATOM 228 O VAL A 23 -1.540 -1.574 5.630 1.00 0.00 O ATOM 229 CB VAL A 23 -4.420 -1.299 6.112 1.00 0.00 C ATOM 230 CG1 VAL A 23 -4.227 0.078 6.729 1.00 0.00 C ATOM 231 CG2 VAL A 23 -5.899 -1.644 6.010 1.00 0.00 C ATOM 0 H VAL A 23 -3.657 -3.463 4.768 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.256 -0.672 4.055 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.943 -2.032 6.762 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.705 0.108 7.708 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.162 0.282 6.838 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.676 0.832 6.083 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.354 -1.590 6.999 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.393 -0.936 5.344 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.011 -2.653 5.614 1.00 0.00 H new ATOM 241 N ALA A 24 -1.882 0.041 4.101 1.00 0.00 N ATOM 242 CA ALA A 24 -0.506 0.518 4.136 1.00 0.00 C ATOM 243 C ALA A 24 -0.442 2.026 3.922 1.00 0.00 C ATOM 244 O ALA A 24 -1.185 2.580 3.110 1.00 0.00 O ATOM 245 CB ALA A 24 0.329 -0.202 3.087 1.00 0.00 C ATOM 0 H ALA A 24 -2.488 0.548 3.456 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.097 0.300 5.123 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.355 0.164 3.124 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.319 -1.274 3.286 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.088 -0.013 2.098 1.00 0.00 H new ATOM 251 N LEU A 25 0.448 2.686 4.654 1.00 0.00 N ATOM 252 CA LEU A 25 0.608 4.132 4.545 1.00 0.00 C ATOM 253 C LEU A 25 -0.711 4.848 4.815 1.00 0.00 C ATOM 254 O LEU A 25 -1.058 5.811 4.131 1.00 0.00 O ATOM 255 CB LEU A 25 1.128 4.504 3.155 1.00 0.00 C ATOM 256 CG LEU A 25 2.397 3.784 2.698 1.00 0.00 C ATOM 257 CD1 LEU A 25 2.478 3.755 1.180 1.00 0.00 C ATOM 258 CD2 LEU A 25 3.631 4.452 3.287 1.00 0.00 C ATOM 0 H LEU A 25 1.070 2.243 5.330 1.00 0.00 H new ATOM 0 HA LEU A 25 1.333 4.450 5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.340 4.305 2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.316 5.577 3.135 1.00 0.00 H new ATOM 0 HG LEU A 25 2.358 2.756 3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.388 3.239 0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.611 3.230 0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.494 4.775 0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.525 3.926 2.951 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.675 5.490 2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.578 4.419 4.375 1.00 0.00 H new ATOM 270 N ASP A 26 -1.441 4.373 5.818 1.00 0.00 N ATOM 271 CA ASP A 26 -2.721 4.970 6.182 1.00 0.00 C ATOM 272 C ASP A 26 -3.684 4.954 4.999 1.00 0.00 C ATOM 273 O ASP A 26 -4.519 5.846 4.854 1.00 0.00 O ATOM 274 CB ASP A 26 -2.518 6.405 6.671 1.00 0.00 C ATOM 275 CG ASP A 26 -2.295 6.480 8.169 1.00 0.00 C ATOM 276 OD1 ASP A 26 -1.490 5.680 8.689 1.00 0.00 O ATOM 277 OD2 ASP A 26 -2.925 7.339 8.820 1.00 0.00 O ATOM 0 H ASP A 26 -1.168 3.576 6.394 1.00 0.00 H new ATOM 0 HA ASP A 26 -3.154 4.378 6.988 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.663 6.843 6.157 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.390 7.003 6.406 1.00 0.00 H new ATOM 282 N ARG A 27 -3.560 3.934 4.156 1.00 0.00 N ATOM 283 CA ARG A 27 -4.418 3.802 2.985 1.00 0.00 C ATOM 284 C ARG A 27 -4.837 2.350 2.777 1.00 0.00 C ATOM 285 O ARG A 27 -4.382 1.454 3.489 1.00 0.00 O ATOM 286 CB ARG A 27 -3.697 4.319 1.738 1.00 0.00 C ATOM 287 CG ARG A 27 -3.845 5.817 1.526 1.00 0.00 C ATOM 288 CD ARG A 27 -5.060 6.142 0.672 1.00 0.00 C ATOM 289 NE ARG A 27 -5.046 7.526 0.205 1.00 0.00 N ATOM 290 CZ ARG A 27 -4.279 7.959 -0.789 1.00 0.00 C ATOM 291 NH1 ARG A 27 -3.467 7.120 -1.418 1.00 0.00 N ATOM 292 NH2 ARG A 27 -4.323 9.233 -1.157 1.00 0.00 N ATOM 0 H ARG A 27 -2.874 3.187 4.262 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.314 4.399 3.154 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.638 4.074 1.814 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.083 3.797 0.863 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.934 6.315 2.491 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.947 6.208 1.047 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.090 5.470 -0.186 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.967 5.963 1.249 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.659 8.197 0.668 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.431 6.140 -1.139 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.879 7.455 -2.181 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.947 9.881 -0.676 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.733 9.564 -1.921 1.00 0.00 H new ATOM 306 N VAL A 28 -5.708 2.124 1.798 1.00 0.00 N ATOM 307 CA VAL A 28 -6.188 0.781 1.497 1.00 0.00 C ATOM 308 C VAL A 28 -6.016 0.455 0.018 1.00 0.00 C ATOM 309 O VAL A 28 -6.421 1.229 -0.851 1.00 0.00 O ATOM 310 CB VAL A 28 -7.671 0.617 1.879 1.00 0.00 C ATOM 311 CG1 VAL A 28 -8.150 -0.793 1.566 1.00 0.00 C ATOM 312 CG2 VAL A 28 -7.882 0.947 3.349 1.00 0.00 C ATOM 0 H VAL A 28 -6.095 2.854 1.200 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.589 0.090 2.090 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.261 1.315 1.285 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.200 -0.890 1.842 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.036 -0.988 0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.558 -1.512 2.131 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.935 0.826 3.602 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.282 0.275 3.963 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.580 1.977 3.538 1.00 0.00 H new ATOM 322 N PHE A 29 -5.413 -0.695 -0.263 1.00 0.00 N ATOM 323 CA PHE A 29 -5.187 -1.124 -1.638 1.00 0.00 C ATOM 324 C PHE A 29 -5.518 -2.604 -1.808 1.00 0.00 C ATOM 325 O PHE A 29 -5.270 -3.413 -0.913 1.00 0.00 O ATOM 326 CB PHE A 29 -3.735 -0.865 -2.043 1.00 0.00 C ATOM 327 CG PHE A 29 -3.252 0.514 -1.693 1.00 0.00 C ATOM 328 CD1 PHE A 29 -2.800 0.800 -0.415 1.00 0.00 C ATOM 329 CD2 PHE A 29 -3.249 1.523 -2.643 1.00 0.00 C ATOM 330 CE1 PHE A 29 -2.356 2.068 -0.090 1.00 0.00 C ATOM 331 CE2 PHE A 29 -2.806 2.793 -2.324 1.00 0.00 C ATOM 332 CZ PHE A 29 -2.358 3.065 -1.046 1.00 0.00 C ATOM 0 H PHE A 29 -5.072 -1.347 0.443 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.846 -0.546 -2.285 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.094 -1.600 -1.557 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.634 -1.015 -3.118 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.794 0.024 0.336 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.597 1.315 -3.644 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.008 2.279 0.910 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.810 3.571 -3.073 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.010 4.056 -0.795 1.00 0.00 H new ATOM 342 N HIS A 30 -6.079 -2.951 -2.962 1.00 0.00 N ATOM 343 CA HIS A 30 -6.444 -4.333 -3.250 1.00 0.00 C ATOM 344 C HIS A 30 -5.204 -5.219 -3.322 1.00 0.00 C ATOM 345 O HIS A 30 -4.192 -4.840 -3.912 1.00 0.00 O ATOM 346 CB HIS A 30 -7.221 -4.415 -4.564 1.00 0.00 C ATOM 347 CG HIS A 30 -8.623 -3.899 -4.464 1.00 0.00 C ATOM 348 ND1 HIS A 30 -9.143 -2.960 -5.330 1.00 0.00 N ATOM 349 CD2 HIS A 30 -9.616 -4.197 -3.594 1.00 0.00 C ATOM 350 CE1 HIS A 30 -10.395 -2.702 -4.996 1.00 0.00 C ATOM 351 NE2 HIS A 30 -10.707 -3.440 -3.946 1.00 0.00 N ATOM 0 H HIS A 30 -6.291 -2.294 -3.713 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.078 -4.691 -2.439 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -6.688 -3.849 -5.328 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.247 -5.453 -4.897 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -8.640 -2.532 -6.107 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -9.561 -4.899 -2.775 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -11.052 -2.006 -5.497 1.00 0.00 H new ATOM 359 N VAL A 31 -5.289 -6.400 -2.718 1.00 0.00 N ATOM 360 CA VAL A 31 -4.174 -7.339 -2.714 1.00 0.00 C ATOM 361 C VAL A 31 -3.380 -7.254 -4.012 1.00 0.00 C ATOM 362 O VAL A 31 -2.153 -7.342 -4.009 1.00 0.00 O ATOM 363 CB VAL A 31 -4.661 -8.787 -2.517 1.00 0.00 C ATOM 364 CG1 VAL A 31 -5.308 -8.951 -1.150 1.00 0.00 C ATOM 365 CG2 VAL A 31 -5.627 -9.180 -3.624 1.00 0.00 C ATOM 0 H VAL A 31 -6.119 -6.729 -2.225 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.530 -7.063 -1.879 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.799 -9.452 -2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.646 -9.980 -1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.582 -8.713 -0.373 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.161 -8.277 -1.068 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.961 -10.206 -3.469 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.488 -8.512 -3.609 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.125 -9.104 -4.589 1.00 0.00 H new ATOM 375 N GLY A 32 -4.089 -7.082 -5.124 1.00 0.00 N ATOM 376 CA GLY A 32 -3.434 -6.988 -6.415 1.00 0.00 C ATOM 377 C GLY A 32 -2.881 -5.602 -6.685 1.00 0.00 C ATOM 378 O GLY A 32 -1.712 -5.450 -7.040 1.00 0.00 O ATOM 0 H GLY A 32 -5.106 -7.006 -5.153 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.623 -7.715 -6.461 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.144 -7.252 -7.199 1.00 0.00 H new ATOM 382 N CYS A 33 -3.723 -4.588 -6.517 1.00 0.00 N ATOM 383 CA CYS A 33 -3.313 -3.208 -6.746 1.00 0.00 C ATOM 384 C CYS A 33 -2.021 -2.892 -6.000 1.00 0.00 C ATOM 385 O CYS A 33 -1.065 -2.378 -6.581 1.00 0.00 O ATOM 386 CB CYS A 33 -4.418 -2.246 -6.304 1.00 0.00 C ATOM 387 SG CYS A 33 -5.909 -2.295 -7.350 1.00 0.00 S ATOM 0 H CYS A 33 -4.694 -4.696 -6.223 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.135 -3.081 -7.814 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.700 -2.480 -5.277 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.022 -1.231 -6.302 1.00 0.00 H new ATOM 0 HG CYS A 33 -6.593 -1.202 -7.183 1.00 0.00 H new ATOM 392 N PHE A 34 -1.999 -3.205 -4.708 1.00 0.00 N ATOM 393 CA PHE A 34 -0.824 -2.955 -3.881 1.00 0.00 C ATOM 394 C PHE A 34 0.421 -3.582 -4.501 1.00 0.00 C ATOM 395 O PHE A 34 0.588 -4.802 -4.489 1.00 0.00 O ATOM 396 CB PHE A 34 -1.039 -3.508 -2.471 1.00 0.00 C ATOM 397 CG PHE A 34 -0.149 -2.880 -1.438 1.00 0.00 C ATOM 398 CD1 PHE A 34 -0.183 -1.513 -1.213 1.00 0.00 C ATOM 399 CD2 PHE A 34 0.724 -3.656 -0.692 1.00 0.00 C ATOM 400 CE1 PHE A 34 0.635 -0.932 -0.262 1.00 0.00 C ATOM 401 CE2 PHE A 34 1.544 -3.081 0.260 1.00 0.00 C ATOM 402 CZ PHE A 34 1.501 -1.717 0.474 1.00 0.00 C ATOM 0 H PHE A 34 -2.781 -3.632 -4.212 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.675 -1.877 -3.822 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.079 -3.355 -2.184 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.867 -4.584 -2.481 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.857 -0.894 -1.787 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.764 -4.723 -0.857 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.597 0.134 -0.095 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.218 -3.697 0.836 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.143 -1.265 1.215 1.00 0.00 H new ATOM 412 N VAL A 35 1.294 -2.738 -5.043 1.00 0.00 N ATOM 413 CA VAL A 35 2.525 -3.208 -5.668 1.00 0.00 C ATOM 414 C VAL A 35 3.611 -2.140 -5.615 1.00 0.00 C ATOM 415 O VAL A 35 3.349 -0.989 -5.263 1.00 0.00 O ATOM 416 CB VAL A 35 2.290 -3.614 -7.135 1.00 0.00 C ATOM 417 CG1 VAL A 35 1.186 -4.655 -7.231 1.00 0.00 C ATOM 418 CG2 VAL A 35 1.957 -2.392 -7.978 1.00 0.00 C ATOM 0 H VAL A 35 1.171 -1.726 -5.062 1.00 0.00 H new ATOM 0 HA VAL A 35 2.852 -4.082 -5.105 1.00 0.00 H new ATOM 0 HB VAL A 35 3.207 -4.056 -7.523 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.034 -4.929 -8.275 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.470 -5.540 -6.661 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.262 -4.243 -6.826 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.794 -2.697 -9.012 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.054 -1.919 -7.592 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.784 -1.684 -7.935 1.00 0.00 H new ATOM 428 N CYS A 36 4.832 -2.527 -5.967 1.00 0.00 N ATOM 429 CA CYS A 36 5.960 -1.604 -5.960 1.00 0.00 C ATOM 430 C CYS A 36 5.712 -0.435 -6.910 1.00 0.00 C ATOM 431 O CYS A 36 4.796 -0.473 -7.732 1.00 0.00 O ATOM 432 CB CYS A 36 7.246 -2.332 -6.356 1.00 0.00 C ATOM 433 SG CYS A 36 8.765 -1.368 -6.071 1.00 0.00 S ATOM 0 H CYS A 36 5.066 -3.475 -6.261 1.00 0.00 H new ATOM 0 HA CYS A 36 6.069 -1.212 -4.949 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.310 -3.265 -5.796 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.190 -2.598 -7.412 1.00 0.00 H new ATOM 0 HG CYS A 36 9.716 -1.821 -6.833 1.00 0.00 H new ATOM 438 N SER A 37 6.534 0.602 -6.790 1.00 0.00 N ATOM 439 CA SER A 37 6.402 1.783 -7.635 1.00 0.00 C ATOM 440 C SER A 37 7.348 1.705 -8.830 1.00 0.00 C ATOM 441 O SER A 37 7.116 2.333 -9.864 1.00 0.00 O ATOM 442 CB SER A 37 6.688 3.050 -6.826 1.00 0.00 C ATOM 443 OG SER A 37 6.817 4.178 -7.673 1.00 0.00 O ATOM 0 H SER A 37 7.298 0.649 -6.116 1.00 0.00 H new ATOM 0 HA SER A 37 5.378 1.821 -8.006 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.882 3.218 -6.111 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.603 2.918 -6.249 1.00 0.00 H new ATOM 0 HG SER A 37 7.639 4.663 -7.450 1.00 0.00 H new ATOM 449 N THR A 38 8.417 0.929 -8.680 1.00 0.00 N ATOM 450 CA THR A 38 9.400 0.768 -9.745 1.00 0.00 C ATOM 451 C THR A 38 9.150 -0.511 -10.535 1.00 0.00 C ATOM 452 O THR A 38 8.759 -0.466 -11.701 1.00 0.00 O ATOM 453 CB THR A 38 10.835 0.741 -9.185 1.00 0.00 C ATOM 454 OG1 THR A 38 11.146 1.998 -8.573 1.00 0.00 O ATOM 455 CG2 THR A 38 11.840 0.446 -10.288 1.00 0.00 C ATOM 0 H THR A 38 8.624 0.402 -7.832 1.00 0.00 H new ATOM 0 HA THR A 38 9.293 1.627 -10.407 1.00 0.00 H new ATOM 0 HB THR A 38 10.895 -0.051 -8.438 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.059 1.972 -8.218 1.00 0.00 H new ATOM 0 HG21 THR A 38 12.846 0.432 -9.869 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.618 -0.524 -10.732 1.00 0.00 H new ATOM 0 HG23 THR A 38 11.777 1.219 -11.054 1.00 0.00 H new ATOM 463 N CYS A 39 9.379 -1.652 -9.893 1.00 0.00 N ATOM 464 CA CYS A 39 9.179 -2.945 -10.535 1.00 0.00 C ATOM 465 C CYS A 39 7.696 -3.303 -10.587 1.00 0.00 C ATOM 466 O CYS A 39 7.284 -4.172 -11.356 1.00 0.00 O ATOM 467 CB CYS A 39 9.951 -4.034 -9.788 1.00 0.00 C ATOM 468 SG CYS A 39 9.227 -4.489 -8.179 1.00 0.00 S ATOM 0 H CYS A 39 9.704 -1.707 -8.928 1.00 0.00 H new ATOM 0 HA CYS A 39 9.555 -2.877 -11.556 1.00 0.00 H new ATOM 0 HB2 CYS A 39 10.002 -4.924 -10.416 1.00 0.00 H new ATOM 0 HB3 CYS A 39 10.975 -3.695 -9.631 1.00 0.00 H new ATOM 0 HG CYS A 39 9.662 -5.661 -7.823 1.00 0.00 H new ATOM 473 N ARG A 40 6.901 -2.626 -9.766 1.00 0.00 N ATOM 474 CA ARG A 40 5.465 -2.872 -9.718 1.00 0.00 C ATOM 475 C ARG A 40 5.175 -4.340 -9.417 1.00 0.00 C ATOM 476 O ARG A 40 4.355 -4.970 -10.083 1.00 0.00 O ATOM 477 CB ARG A 40 4.812 -2.474 -11.043 1.00 0.00 C ATOM 478 CG ARG A 40 4.517 -0.987 -11.154 1.00 0.00 C ATOM 479 CD ARG A 40 5.797 -0.167 -11.202 1.00 0.00 C ATOM 480 NE ARG A 40 5.633 1.059 -11.977 1.00 0.00 N ATOM 481 CZ ARG A 40 4.871 2.076 -11.591 1.00 0.00 C ATOM 482 NH1 ARG A 40 4.207 2.014 -10.445 1.00 0.00 N ATOM 483 NH2 ARG A 40 4.772 3.159 -12.352 1.00 0.00 N ATOM 0 H ARG A 40 7.227 -1.903 -9.125 1.00 0.00 H new ATOM 0 HA ARG A 40 5.045 -2.264 -8.917 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.466 -2.768 -11.864 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.882 -3.030 -11.162 1.00 0.00 H new ATOM 0 HG2 ARG A 40 3.929 -0.798 -12.052 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.912 -0.670 -10.304 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.105 0.084 -10.187 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.596 -0.767 -11.638 1.00 0.00 H new ATOM 0 HE ARG A 40 6.131 1.139 -12.864 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.281 1.184 -9.857 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.623 2.797 -10.151 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.281 3.211 -13.234 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.186 3.939 -12.055 1.00 0.00 H new ATOM 497 N ALA A 41 5.853 -4.877 -8.408 1.00 0.00 N ATOM 498 CA ALA A 41 5.668 -6.269 -8.018 1.00 0.00 C ATOM 499 C ALA A 41 4.711 -6.385 -6.836 1.00 0.00 C ATOM 500 O ALA A 41 4.556 -5.445 -6.057 1.00 0.00 O ATOM 501 CB ALA A 41 7.008 -6.905 -7.678 1.00 0.00 C ATOM 0 H ALA A 41 6.536 -4.369 -7.846 1.00 0.00 H new ATOM 0 HA ALA A 41 5.229 -6.801 -8.862 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.854 -7.945 -7.388 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.662 -6.864 -8.549 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.469 -6.363 -6.852 1.00 0.00 H new ATOM 507 N GLN A 42 4.070 -7.543 -6.711 1.00 0.00 N ATOM 508 CA GLN A 42 3.127 -7.780 -5.624 1.00 0.00 C ATOM 509 C GLN A 42 3.799 -7.591 -4.269 1.00 0.00 C ATOM 510 O GLN A 42 4.861 -8.157 -4.006 1.00 0.00 O ATOM 511 CB GLN A 42 2.544 -9.190 -5.726 1.00 0.00 C ATOM 512 CG GLN A 42 1.317 -9.279 -6.619 1.00 0.00 C ATOM 513 CD GLN A 42 0.357 -10.368 -6.185 1.00 0.00 C ATOM 514 OE1 GLN A 42 0.751 -11.338 -5.537 1.00 0.00 O ATOM 515 NE2 GLN A 42 -0.914 -10.214 -6.540 1.00 0.00 N ATOM 0 H GLN A 42 4.186 -8.331 -7.348 1.00 0.00 H new ATOM 0 HA GLN A 42 2.319 -7.053 -5.712 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.311 -9.864 -6.108 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.282 -9.539 -4.727 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.799 -8.320 -6.614 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.632 -9.466 -7.646 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -1.198 -9.395 -7.077 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.606 -10.915 -6.275 1.00 0.00 H new ATOM 524 N LEU A 43 3.175 -6.791 -3.411 1.00 0.00 N ATOM 525 CA LEU A 43 3.713 -6.527 -2.081 1.00 0.00 C ATOM 526 C LEU A 43 2.803 -7.103 -1.001 1.00 0.00 C ATOM 527 O LEU A 43 2.890 -6.720 0.166 1.00 0.00 O ATOM 528 CB LEU A 43 3.886 -5.022 -1.869 1.00 0.00 C ATOM 529 CG LEU A 43 4.869 -4.320 -2.807 1.00 0.00 C ATOM 530 CD1 LEU A 43 4.821 -2.814 -2.601 1.00 0.00 C ATOM 531 CD2 LEU A 43 6.281 -4.845 -2.589 1.00 0.00 C ATOM 0 H LEU A 43 2.296 -6.314 -3.613 1.00 0.00 H new ATOM 0 HA LEU A 43 4.686 -7.012 -2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.911 -4.546 -1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.212 -4.855 -0.842 1.00 0.00 H new ATOM 0 HG LEU A 43 4.577 -4.535 -3.835 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.527 -2.332 -3.277 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.814 -2.450 -2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.087 -2.579 -1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.967 -4.335 -3.265 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.583 -4.661 -1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.306 -5.916 -2.788 1.00 0.00 H new ATOM 543 N ARG A 44 1.934 -8.026 -1.398 1.00 0.00 N ATOM 544 CA ARG A 44 1.008 -8.656 -0.463 1.00 0.00 C ATOM 545 C ARG A 44 1.717 -9.720 0.369 1.00 0.00 C ATOM 546 O ARG A 44 2.567 -10.453 -0.135 1.00 0.00 O ATOM 547 CB ARG A 44 -0.165 -9.282 -1.219 1.00 0.00 C ATOM 548 CG ARG A 44 -1.043 -10.170 -0.352 1.00 0.00 C ATOM 549 CD ARG A 44 -2.007 -9.348 0.490 1.00 0.00 C ATOM 550 NE ARG A 44 -2.946 -10.191 1.225 1.00 0.00 N ATOM 551 CZ ARG A 44 -3.475 -9.853 2.396 1.00 0.00 C ATOM 552 NH1 ARG A 44 -3.159 -8.696 2.961 1.00 0.00 N ATOM 553 NH2 ARG A 44 -4.323 -10.673 3.003 1.00 0.00 N ATOM 0 H ARG A 44 1.851 -8.355 -2.360 1.00 0.00 H new ATOM 0 HA ARG A 44 0.629 -7.886 0.209 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.776 -8.487 -1.647 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.222 -9.870 -2.051 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.605 -10.857 -0.985 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.416 -10.778 0.300 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.443 -8.735 1.193 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.560 -8.665 -0.155 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.210 -11.088 0.817 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.508 -8.063 2.497 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.567 -8.439 3.860 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.569 -11.563 2.571 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.729 -10.413 3.902 1.00 0.00 H new ATOM 567 N GLY A 45 1.361 -9.798 1.648 1.00 0.00 N ATOM 568 CA GLY A 45 1.973 -10.775 2.530 1.00 0.00 C ATOM 569 C GLY A 45 3.477 -10.846 2.361 1.00 0.00 C ATOM 570 O GLY A 45 4.042 -11.931 2.227 1.00 0.00 O ATOM 0 H GLY A 45 0.660 -9.202 2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.738 -10.524 3.564 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.542 -11.757 2.335 1.00 0.00 H new ATOM 574 N GLN A 46 4.127 -9.687 2.367 1.00 0.00 N ATOM 575 CA GLN A 46 5.576 -9.623 2.211 1.00 0.00 C ATOM 576 C GLN A 46 6.132 -8.338 2.815 1.00 0.00 C ATOM 577 O GLN A 46 5.378 -7.458 3.232 1.00 0.00 O ATOM 578 CB GLN A 46 5.955 -9.711 0.732 1.00 0.00 C ATOM 579 CG GLN A 46 5.320 -8.628 -0.124 1.00 0.00 C ATOM 580 CD GLN A 46 6.220 -7.421 -0.302 1.00 0.00 C ATOM 581 OE1 GLN A 46 5.979 -6.361 0.278 1.00 0.00 O ATOM 582 NE2 GLN A 46 7.265 -7.575 -1.107 1.00 0.00 N ATOM 0 H GLN A 46 3.674 -8.780 2.478 1.00 0.00 H new ATOM 0 HA GLN A 46 6.011 -10.470 2.741 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.039 -9.647 0.639 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.659 -10.687 0.347 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.075 -9.041 -1.103 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.382 -8.313 0.333 1.00 0.00 H new ATOM 0 HE21 GLN A 46 7.427 -8.471 -1.567 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.906 -6.797 -1.265 1.00 0.00 H new ATOM 591 N HIS A 47 7.457 -8.236 2.860 1.00 0.00 N ATOM 592 CA HIS A 47 8.115 -7.058 3.414 1.00 0.00 C ATOM 593 C HIS A 47 8.316 -5.993 2.339 1.00 0.00 C ATOM 594 O HIS A 47 8.757 -6.292 1.230 1.00 0.00 O ATOM 595 CB HIS A 47 9.462 -7.440 4.027 1.00 0.00 C ATOM 596 CG HIS A 47 10.125 -8.595 3.343 1.00 0.00 C ATOM 597 ND1 HIS A 47 10.309 -8.858 2.027 1.00 0.00 N flip ATOM 598 CD2 HIS A 47 10.692 -9.650 4.026 1.00 0.00 C flip ATOM 599 CE1 HIS A 47 10.978 -10.054 1.941 1.00 0.00 C flip ATOM 600 NE2 HIS A 47 11.198 -10.511 3.160 1.00 0.00 N flip ATOM 0 H HIS A 47 8.096 -8.955 2.520 1.00 0.00 H new ATOM 0 HA HIS A 47 7.474 -6.647 4.194 1.00 0.00 H new ATOM 0 HB2 HIS A 47 10.126 -6.577 3.991 1.00 0.00 H new ATOM 0 HB3 HIS A 47 9.317 -7.686 5.079 1.00 0.00 H new ATOM 0 HD1 HIS A 47 10.007 -8.276 1.246 1.00 0.00 H new ATOM 0 HD2 HIS A 47 10.719 -9.756 5.100 1.00 0.00 H new ATOM 0 HE1 HIS A 47 11.276 -10.542 1.025 1.00 0.00 H new ATOM 609 N PHE A 48 7.988 -4.750 2.677 1.00 0.00 N ATOM 610 CA PHE A 48 8.131 -3.641 1.740 1.00 0.00 C ATOM 611 C PHE A 48 8.698 -2.409 2.439 1.00 0.00 C ATOM 612 O PHE A 48 8.826 -2.380 3.664 1.00 0.00 O ATOM 613 CB PHE A 48 6.780 -3.305 1.105 1.00 0.00 C ATOM 614 CG PHE A 48 5.636 -3.339 2.077 1.00 0.00 C ATOM 615 CD1 PHE A 48 5.167 -4.544 2.573 1.00 0.00 C ATOM 616 CD2 PHE A 48 5.028 -2.165 2.493 1.00 0.00 C ATOM 617 CE1 PHE A 48 4.114 -4.579 3.468 1.00 0.00 C ATOM 618 CE2 PHE A 48 3.975 -2.194 3.388 1.00 0.00 C ATOM 619 CZ PHE A 48 3.517 -3.402 3.875 1.00 0.00 C ATOM 0 H PHE A 48 7.622 -4.485 3.592 1.00 0.00 H new ATOM 0 HA PHE A 48 8.826 -3.946 0.958 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.835 -2.313 0.656 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.582 -4.010 0.298 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.629 -5.467 2.257 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.381 -1.217 2.114 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.759 -5.525 3.848 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.511 -1.272 3.706 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.693 -3.426 4.573 1.00 0.00 H new ATOM 629 N TYR A 49 9.036 -1.393 1.653 1.00 0.00 N ATOM 630 CA TYR A 49 9.592 -0.159 2.194 1.00 0.00 C ATOM 631 C TYR A 49 8.697 1.032 1.865 1.00 0.00 C ATOM 632 O TYR A 49 8.038 1.059 0.826 1.00 0.00 O ATOM 633 CB TYR A 49 10.998 0.077 1.641 1.00 0.00 C ATOM 634 CG TYR A 49 12.061 -0.764 2.311 1.00 0.00 C ATOM 635 CD1 TYR A 49 12.228 -2.102 1.978 1.00 0.00 C ATOM 636 CD2 TYR A 49 12.899 -0.220 3.277 1.00 0.00 C ATOM 637 CE1 TYR A 49 13.197 -2.875 2.587 1.00 0.00 C ATOM 638 CE2 TYR A 49 13.872 -0.985 3.891 1.00 0.00 C ATOM 639 CZ TYR A 49 14.017 -2.312 3.543 1.00 0.00 C ATOM 640 OH TYR A 49 14.984 -3.077 4.153 1.00 0.00 O ATOM 0 H TYR A 49 8.934 -1.400 0.638 1.00 0.00 H new ATOM 0 HA TYR A 49 9.648 -0.260 3.278 1.00 0.00 H new ATOM 0 HB2 TYR A 49 10.999 -0.135 0.572 1.00 0.00 H new ATOM 0 HB3 TYR A 49 11.253 1.130 1.757 1.00 0.00 H new ATOM 0 HD1 TYR A 49 11.589 -2.546 1.229 1.00 0.00 H new ATOM 0 HD2 TYR A 49 12.788 0.818 3.552 1.00 0.00 H new ATOM 0 HE1 TYR A 49 13.312 -3.914 2.316 1.00 0.00 H new ATOM 0 HE2 TYR A 49 14.516 -0.546 4.639 1.00 0.00 H new ATOM 0 HH TYR A 49 15.475 -2.529 4.800 1.00 0.00 H new ATOM 650 N ALA A 50 8.680 2.016 2.759 1.00 0.00 N ATOM 651 CA ALA A 50 7.870 3.211 2.564 1.00 0.00 C ATOM 652 C ALA A 50 8.744 4.456 2.456 1.00 0.00 C ATOM 653 O ALA A 50 9.352 4.887 3.436 1.00 0.00 O ATOM 654 CB ALA A 50 6.870 3.363 3.701 1.00 0.00 C ATOM 0 H ALA A 50 9.218 2.008 3.625 1.00 0.00 H new ATOM 0 HA ALA A 50 7.324 3.100 1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.272 4.260 3.542 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.216 2.491 3.730 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.405 3.447 4.647 1.00 0.00 H new ATOM 660 N VAL A 51 8.804 5.030 1.259 1.00 0.00 N ATOM 661 CA VAL A 51 9.604 6.226 1.023 1.00 0.00 C ATOM 662 C VAL A 51 8.849 7.231 0.161 1.00 0.00 C ATOM 663 O VAL A 51 8.493 6.940 -0.981 1.00 0.00 O ATOM 664 CB VAL A 51 10.940 5.882 0.340 1.00 0.00 C ATOM 665 CG1 VAL A 51 11.741 7.145 0.066 1.00 0.00 C ATOM 666 CG2 VAL A 51 11.740 4.909 1.194 1.00 0.00 C ATOM 0 H VAL A 51 8.308 4.686 0.437 1.00 0.00 H new ATOM 0 HA VAL A 51 9.807 6.668 1.998 1.00 0.00 H new ATOM 0 HB VAL A 51 10.726 5.402 -0.615 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.682 6.881 -0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 51 11.169 7.804 -0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.947 7.657 1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.681 4.677 0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.945 5.360 2.165 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.168 3.992 1.334 1.00 0.00 H new ATOM 676 N GLU A 52 8.607 8.415 0.715 1.00 0.00 N ATOM 677 CA GLU A 52 7.894 9.464 -0.005 1.00 0.00 C ATOM 678 C GLU A 52 6.459 9.039 -0.302 1.00 0.00 C ATOM 679 O GLU A 52 5.928 9.318 -1.378 1.00 0.00 O ATOM 680 CB GLU A 52 8.619 9.801 -1.310 1.00 0.00 C ATOM 681 CG GLU A 52 9.992 10.417 -1.102 1.00 0.00 C ATOM 682 CD GLU A 52 10.650 10.829 -2.404 1.00 0.00 C ATOM 683 OE1 GLU A 52 10.219 11.843 -2.992 1.00 0.00 O ATOM 684 OE2 GLU A 52 11.596 10.138 -2.835 1.00 0.00 O ATOM 0 H GLU A 52 8.894 8.672 1.660 1.00 0.00 H new ATOM 0 HA GLU A 52 7.869 10.352 0.627 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.724 8.892 -1.903 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.005 10.490 -1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.901 11.289 -0.454 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.633 9.702 -0.586 1.00 0.00 H new ATOM 691 N ARG A 53 5.837 8.364 0.658 1.00 0.00 N ATOM 692 CA ARG A 53 4.464 7.899 0.499 1.00 0.00 C ATOM 693 C ARG A 53 4.356 6.906 -0.654 1.00 0.00 C ATOM 694 O ARG A 53 3.388 6.925 -1.415 1.00 0.00 O ATOM 695 CB ARG A 53 3.527 9.084 0.256 1.00 0.00 C ATOM 696 CG ARG A 53 3.362 9.989 1.466 1.00 0.00 C ATOM 697 CD ARG A 53 2.260 9.492 2.387 1.00 0.00 C ATOM 698 NE ARG A 53 2.754 8.517 3.356 1.00 0.00 N ATOM 699 CZ ARG A 53 2.027 8.049 4.365 1.00 0.00 C ATOM 700 NH1 ARG A 53 0.780 8.465 4.536 1.00 0.00 N ATOM 701 NH2 ARG A 53 2.548 7.164 5.205 1.00 0.00 N ATOM 0 H ARG A 53 6.262 8.127 1.555 1.00 0.00 H new ATOM 0 HA ARG A 53 4.169 7.394 1.419 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.909 9.673 -0.578 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.548 8.707 -0.041 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.302 10.039 2.015 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.132 11.002 1.135 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.821 10.338 2.916 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.466 9.041 1.792 1.00 0.00 H new ATOM 0 HE ARG A 53 3.710 8.177 3.252 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.377 9.146 3.892 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.224 8.104 5.311 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.507 6.842 5.077 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.989 6.805 5.979 1.00 0.00 H new ATOM 715 N ARG A 54 5.356 6.039 -0.777 1.00 0.00 N ATOM 716 CA ARG A 54 5.375 5.040 -1.839 1.00 0.00 C ATOM 717 C ARG A 54 5.687 3.656 -1.277 1.00 0.00 C ATOM 718 O ARG A 54 5.948 3.504 -0.084 1.00 0.00 O ATOM 719 CB ARG A 54 6.407 5.415 -2.903 1.00 0.00 C ATOM 720 CG ARG A 54 5.872 6.365 -3.962 1.00 0.00 C ATOM 721 CD ARG A 54 6.557 6.149 -5.302 1.00 0.00 C ATOM 722 NE ARG A 54 5.854 6.821 -6.392 1.00 0.00 N ATOM 723 CZ ARG A 54 6.118 8.064 -6.780 1.00 0.00 C ATOM 724 NH1 ARG A 54 7.064 8.765 -6.172 1.00 0.00 N ATOM 725 NH2 ARG A 54 5.435 8.607 -7.780 1.00 0.00 N ATOM 0 H ARG A 54 6.163 6.008 -0.154 1.00 0.00 H new ATOM 0 HA ARG A 54 4.386 5.013 -2.296 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.268 5.874 -2.416 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.763 4.506 -3.388 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.798 6.219 -4.074 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.022 7.395 -3.638 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.581 6.519 -5.249 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.614 5.081 -5.512 1.00 0.00 H new ATOM 0 HE ARG A 54 5.121 6.308 -6.882 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.592 8.351 -5.404 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.264 9.719 -6.472 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.707 8.070 -8.251 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.638 9.561 -8.077 1.00 0.00 H new ATOM 739 N ALA A 55 5.658 2.650 -2.145 1.00 0.00 N ATOM 740 CA ALA A 55 5.940 1.280 -1.736 1.00 0.00 C ATOM 741 C ALA A 55 7.050 0.671 -2.586 1.00 0.00 C ATOM 742 O ALA A 55 6.881 0.460 -3.787 1.00 0.00 O ATOM 743 CB ALA A 55 4.679 0.433 -1.825 1.00 0.00 C ATOM 0 H ALA A 55 5.442 2.758 -3.136 1.00 0.00 H new ATOM 0 HA ALA A 55 6.280 1.298 -0.701 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.904 -0.588 -1.517 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.914 0.850 -1.170 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.315 0.430 -2.852 1.00 0.00 H new ATOM 749 N TYR A 56 8.185 0.391 -1.955 1.00 0.00 N ATOM 750 CA TYR A 56 9.325 -0.191 -2.654 1.00 0.00 C ATOM 751 C TYR A 56 9.704 -1.540 -2.049 1.00 0.00 C ATOM 752 O TYR A 56 9.914 -1.655 -0.841 1.00 0.00 O ATOM 753 CB TYR A 56 10.522 0.759 -2.601 1.00 0.00 C ATOM 754 CG TYR A 56 10.293 2.063 -3.330 1.00 0.00 C ATOM 755 CD1 TYR A 56 10.432 2.144 -4.710 1.00 0.00 C ATOM 756 CD2 TYR A 56 9.936 3.215 -2.639 1.00 0.00 C ATOM 757 CE1 TYR A 56 10.224 3.334 -5.380 1.00 0.00 C ATOM 758 CE2 TYR A 56 9.725 4.409 -3.301 1.00 0.00 C ATOM 759 CZ TYR A 56 9.871 4.464 -4.671 1.00 0.00 C ATOM 760 OH TYR A 56 9.661 5.651 -5.335 1.00 0.00 O ATOM 0 H TYR A 56 8.340 0.558 -0.961 1.00 0.00 H new ATOM 0 HA TYR A 56 9.040 -0.347 -3.694 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.760 0.972 -1.559 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.391 0.260 -3.031 1.00 0.00 H new ATOM 0 HD1 TYR A 56 10.707 1.262 -5.268 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.822 3.176 -1.566 1.00 0.00 H new ATOM 0 HE1 TYR A 56 10.337 3.380 -6.453 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.447 5.294 -2.749 1.00 0.00 H new ATOM 0 HH TYR A 56 9.332 5.466 -6.239 1.00 0.00 H new ATOM 770 N CYS A 57 9.790 -2.558 -2.899 1.00 0.00 N ATOM 771 CA CYS A 57 10.144 -3.900 -2.451 1.00 0.00 C ATOM 772 C CYS A 57 11.610 -3.964 -2.030 1.00 0.00 C ATOM 773 O CYS A 57 12.437 -3.189 -2.509 1.00 0.00 O ATOM 774 CB CYS A 57 9.876 -4.918 -3.561 1.00 0.00 C ATOM 775 SG CYS A 57 10.788 -4.593 -5.104 1.00 0.00 S ATOM 0 H CYS A 57 9.619 -2.479 -3.902 1.00 0.00 H new ATOM 0 HA CYS A 57 9.525 -4.143 -1.587 1.00 0.00 H new ATOM 0 HB2 CYS A 57 10.139 -5.912 -3.199 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.808 -4.930 -3.778 1.00 0.00 H new ATOM 0 HG CYS A 57 9.959 -4.590 -6.106 1.00 0.00 H new ATOM 780 N GLU A 58 11.922 -4.893 -1.132 1.00 0.00 N ATOM 781 CA GLU A 58 13.287 -5.058 -0.647 1.00 0.00 C ATOM 782 C GLU A 58 14.289 -4.937 -1.791 1.00 0.00 C ATOM 783 O GLU A 58 15.298 -4.242 -1.677 1.00 0.00 O ATOM 784 CB GLU A 58 13.446 -6.413 0.044 1.00 0.00 C ATOM 785 CG GLU A 58 14.848 -6.665 0.574 1.00 0.00 C ATOM 786 CD GLU A 58 14.945 -7.945 1.382 1.00 0.00 C ATOM 787 OE1 GLU A 58 14.612 -7.913 2.585 1.00 0.00 O ATOM 788 OE2 GLU A 58 15.354 -8.978 0.812 1.00 0.00 O ATOM 0 H GLU A 58 11.248 -5.542 -0.726 1.00 0.00 H new ATOM 0 HA GLU A 58 13.488 -4.265 0.074 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.738 -6.475 0.870 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.185 -7.203 -0.660 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.545 -6.714 -0.262 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.154 -5.823 1.195 1.00 0.00 H new ATOM 795 N GLY A 59 14.004 -5.621 -2.895 1.00 0.00 N ATOM 796 CA GLY A 59 14.889 -5.578 -4.044 1.00 0.00 C ATOM 797 C GLY A 59 15.166 -4.162 -4.510 1.00 0.00 C ATOM 798 O GLY A 59 16.280 -3.658 -4.360 1.00 0.00 O ATOM 0 H GLY A 59 13.176 -6.204 -3.014 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.831 -6.065 -3.792 1.00 0.00 H new ATOM 0 HA3 GLY A 59 14.446 -6.146 -4.862 1.00 0.00 H new ATOM 802 N CYS A 60 14.152 -3.519 -5.079 1.00 0.00 N ATOM 803 CA CYS A 60 14.291 -2.154 -5.571 1.00 0.00 C ATOM 804 C CYS A 60 14.974 -1.268 -4.532 1.00 0.00 C ATOM 805 O CYS A 60 15.995 -0.639 -4.812 1.00 0.00 O ATOM 806 CB CYS A 60 12.921 -1.576 -5.929 1.00 0.00 C ATOM 807 SG CYS A 60 12.317 -2.060 -7.578 1.00 0.00 S ATOM 0 H CYS A 60 13.224 -3.922 -5.211 1.00 0.00 H new ATOM 0 HA CYS A 60 14.912 -2.179 -6.466 1.00 0.00 H new ATOM 0 HB2 CYS A 60 12.197 -1.896 -5.180 1.00 0.00 H new ATOM 0 HB3 CYS A 60 12.973 -0.488 -5.878 1.00 0.00 H new ATOM 0 HG CYS A 60 11.314 -2.877 -7.450 1.00 0.00 H new ATOM 812 N TYR A 61 14.402 -1.224 -3.334 1.00 0.00 N ATOM 813 CA TYR A 61 14.953 -0.415 -2.254 1.00 0.00 C ATOM 814 C TYR A 61 16.476 -0.509 -2.224 1.00 0.00 C ATOM 815 O TYR A 61 17.168 0.493 -2.042 1.00 0.00 O ATOM 816 CB TYR A 61 14.377 -0.861 -0.909 1.00 0.00 C ATOM 817 CG TYR A 61 14.882 -0.052 0.264 1.00 0.00 C ATOM 818 CD1 TYR A 61 14.261 1.136 0.631 1.00 0.00 C ATOM 819 CD2 TYR A 61 15.978 -0.474 1.005 1.00 0.00 C ATOM 820 CE1 TYR A 61 14.719 1.880 1.702 1.00 0.00 C ATOM 821 CE2 TYR A 61 16.442 0.262 2.078 1.00 0.00 C ATOM 822 CZ TYR A 61 15.809 1.438 2.423 1.00 0.00 C ATOM 823 OH TYR A 61 16.268 2.175 3.490 1.00 0.00 O ATOM 0 H TYR A 61 13.557 -1.739 -3.087 1.00 0.00 H new ATOM 0 HA TYR A 61 14.675 0.623 -2.435 1.00 0.00 H new ATOM 0 HB2 TYR A 61 13.290 -0.790 -0.947 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.623 -1.911 -0.748 1.00 0.00 H new ATOM 0 HD1 TYR A 61 13.406 1.484 0.070 1.00 0.00 H new ATOM 0 HD2 TYR A 61 16.477 -1.394 0.738 1.00 0.00 H new ATOM 0 HE1 TYR A 61 14.226 2.802 1.973 1.00 0.00 H new ATOM 0 HE2 TYR A 61 17.296 -0.081 2.644 1.00 0.00 H new ATOM 0 HH TYR A 61 17.041 1.725 3.890 1.00 0.00 H new ATOM 833 N VAL A 62 16.991 -1.721 -2.406 1.00 0.00 N ATOM 834 CA VAL A 62 18.431 -1.948 -2.402 1.00 0.00 C ATOM 835 C VAL A 62 19.063 -1.491 -3.712 1.00 0.00 C ATOM 836 O VAL A 62 20.126 -0.872 -3.718 1.00 0.00 O ATOM 837 CB VAL A 62 18.764 -3.434 -2.174 1.00 0.00 C ATOM 838 CG1 VAL A 62 20.268 -3.657 -2.218 1.00 0.00 C ATOM 839 CG2 VAL A 62 18.184 -3.914 -0.852 1.00 0.00 C ATOM 0 H VAL A 62 16.432 -2.561 -2.558 1.00 0.00 H new ATOM 0 HA VAL A 62 18.842 -1.361 -1.580 1.00 0.00 H new ATOM 0 HB VAL A 62 18.311 -4.017 -2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 62 20.484 -4.713 -2.055 1.00 0.00 H new ATOM 0 HG12 VAL A 62 20.652 -3.354 -3.192 1.00 0.00 H new ATOM 0 HG13 VAL A 62 20.747 -3.064 -1.439 1.00 0.00 H new ATOM 0 HG21 VAL A 62 18.429 -4.966 -0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 62 18.606 -3.328 -0.035 1.00 0.00 H new ATOM 0 HG23 VAL A 62 17.101 -3.792 -0.864 1.00 0.00 H new ATOM 849 N ALA A 63 18.400 -1.801 -4.822 1.00 0.00 N ATOM 850 CA ALA A 63 18.895 -1.421 -6.139 1.00 0.00 C ATOM 851 C ALA A 63 19.111 0.086 -6.230 1.00 0.00 C ATOM 852 O ALA A 63 20.139 0.548 -6.728 1.00 0.00 O ATOM 853 CB ALA A 63 17.929 -1.884 -7.220 1.00 0.00 C ATOM 0 H ALA A 63 17.519 -2.314 -4.835 1.00 0.00 H new ATOM 0 HA ALA A 63 19.857 -1.910 -6.293 1.00 0.00 H new ATOM 0 HB1 ALA A 63 18.311 -1.593 -8.198 1.00 0.00 H new ATOM 0 HB2 ALA A 63 17.828 -2.968 -7.177 1.00 0.00 H new ATOM 0 HB3 ALA A 63 16.955 -1.422 -7.059 1.00 0.00 H new ATOM 859 N THR A 64 18.136 0.849 -5.747 1.00 0.00 N ATOM 860 CA THR A 64 18.219 2.304 -5.775 1.00 0.00 C ATOM 861 C THR A 64 19.511 2.794 -5.132 1.00 0.00 C ATOM 862 O THR A 64 20.228 3.617 -5.703 1.00 0.00 O ATOM 863 CB THR A 64 17.022 2.949 -5.052 1.00 0.00 C ATOM 864 OG1 THR A 64 17.044 2.602 -3.663 1.00 0.00 O ATOM 865 CG2 THR A 64 15.708 2.498 -5.671 1.00 0.00 C ATOM 0 H THR A 64 17.279 0.483 -5.331 1.00 0.00 H new ATOM 0 HA THR A 64 18.203 2.601 -6.824 1.00 0.00 H new ATOM 0 HB THR A 64 17.103 4.031 -5.158 1.00 0.00 H new ATOM 0 HG1 THR A 64 17.083 1.627 -3.570 1.00 0.00 H new ATOM 0 HG21 THR A 64 14.877 2.967 -5.143 1.00 0.00 H new ATOM 0 HG22 THR A 64 15.682 2.789 -6.721 1.00 0.00 H new ATOM 0 HG23 THR A 64 15.622 1.414 -5.593 1.00 0.00 H new ATOM 873 N LEU A 65 19.804 2.283 -3.941 1.00 0.00 N ATOM 874 CA LEU A 65 21.012 2.668 -3.220 1.00 0.00 C ATOM 875 C LEU A 65 22.249 2.492 -4.095 1.00 0.00 C ATOM 876 O LEU A 65 23.115 3.364 -4.144 1.00 0.00 O ATOM 877 CB LEU A 65 21.154 1.837 -1.943 1.00 0.00 C ATOM 878 CG LEU A 65 19.960 1.864 -0.989 1.00 0.00 C ATOM 879 CD1 LEU A 65 19.941 0.614 -0.123 1.00 0.00 C ATOM 880 CD2 LEU A 65 19.997 3.115 -0.122 1.00 0.00 C ATOM 0 H LEU A 65 19.222 1.601 -3.455 1.00 0.00 H new ATOM 0 HA LEU A 65 20.926 3.721 -2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 65 21.344 0.802 -2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 65 22.034 2.186 -1.402 1.00 0.00 H new ATOM 0 HG LEU A 65 19.046 1.885 -1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 65 19.084 0.651 0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 65 19.866 -0.268 -0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 65 20.860 0.562 0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 65 19.139 3.117 0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 65 20.917 3.125 0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 65 19.961 4.000 -0.758 1.00 0.00 H new ATOM 892 N GLU A 66 22.322 1.358 -4.786 1.00 0.00 N ATOM 893 CA GLU A 66 23.452 1.069 -5.660 1.00 0.00 C ATOM 894 C GLU A 66 23.637 2.176 -6.694 1.00 0.00 C ATOM 895 O GLU A 66 24.665 2.853 -6.718 1.00 0.00 O ATOM 896 CB GLU A 66 23.250 -0.273 -6.366 1.00 0.00 C ATOM 897 CG GLU A 66 23.174 -1.455 -5.414 1.00 0.00 C ATOM 898 CD GLU A 66 24.463 -1.670 -4.646 1.00 0.00 C ATOM 899 OE1 GLU A 66 25.522 -1.209 -5.122 1.00 0.00 O ATOM 900 OE2 GLU A 66 24.413 -2.298 -3.567 1.00 0.00 O ATOM 0 H GLU A 66 21.612 0.626 -4.757 1.00 0.00 H new ATOM 0 HA GLU A 66 24.350 1.016 -5.044 1.00 0.00 H new ATOM 0 HB2 GLU A 66 22.333 -0.231 -6.954 1.00 0.00 H new ATOM 0 HB3 GLU A 66 24.070 -0.433 -7.066 1.00 0.00 H new ATOM 0 HG2 GLU A 66 22.358 -1.297 -4.709 1.00 0.00 H new ATOM 0 HG3 GLU A 66 22.937 -2.357 -5.979 1.00 0.00 H new