USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=14 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 -167:sc= -0.695 USER MOD Set 1.2: A 39 CYS SG : rot 170:sc= -1.44! USER MOD Set 1.3: A 57 CYS SG : rot -131:sc= 1.05 USER MOD Set 1.4: A 60 CYS SG : rot 111:sc= -0.862 USER MOD Set 2.1: A 37 SER OG : rot -120:sc= -0.749 USER MOD Set 2.2: A 56 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 8 CYS SG : rot -150:sc= 0.934 USER MOD Set 3.2: A 11 CYS SG : rot -100:sc= 0.507 USER MOD Set 3.3: A 30 HIS : +bothHN:sc= -2.7 K(o=-1.2,f=-10!) USER MOD Set 3.4: A 33 CYS SG : rot -109:sc= 0.0229 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0292 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -1.85 X(o=-1.8,f=-2.2) USER MOD Single : A 47 HIS : no HD1:sc= -0.0222 X(o=-0.022,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -55:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -13.134 2.382 0.328 1.00 0.00 N ATOM 60 CA GLY A 7 -12.658 2.418 -1.043 1.00 0.00 C ATOM 61 C GLY A 7 -11.230 1.928 -1.175 1.00 0.00 C ATOM 62 O GLY A 7 -10.637 1.453 -0.206 1.00 0.00 O ATOM 0 HA2 GLY A 7 -13.308 1.804 -1.666 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.725 3.438 -1.421 1.00 0.00 H new ATOM 66 N CYS A 8 -10.675 2.041 -2.377 1.00 0.00 N ATOM 67 CA CYS A 8 -9.308 1.604 -2.633 1.00 0.00 C ATOM 68 C CYS A 8 -8.429 2.782 -3.044 1.00 0.00 C ATOM 69 O CYS A 8 -8.604 3.356 -4.118 1.00 0.00 O ATOM 70 CB CYS A 8 -9.289 0.533 -3.726 1.00 0.00 C ATOM 71 SG CYS A 8 -7.619 -0.025 -4.190 1.00 0.00 S ATOM 0 H CYS A 8 -11.152 2.432 -3.190 1.00 0.00 H new ATOM 0 HA CYS A 8 -8.909 1.180 -1.711 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.867 -0.327 -3.387 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -9.789 0.924 -4.612 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.614 -0.388 -5.438 1.00 0.00 H new ATOM 76 N GLY A 9 -7.482 3.136 -2.181 1.00 0.00 N ATOM 77 CA GLY A 9 -6.589 4.242 -2.472 1.00 0.00 C ATOM 78 C GLY A 9 -5.806 4.034 -3.753 1.00 0.00 C ATOM 79 O GLY A 9 -5.365 4.995 -4.382 1.00 0.00 O ATOM 0 H GLY A 9 -7.317 2.677 -1.285 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -7.168 5.162 -2.549 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.894 4.372 -1.642 1.00 0.00 H new ATOM 83 N GLY A 10 -5.630 2.774 -4.139 1.00 0.00 N ATOM 84 CA GLY A 10 -4.893 2.465 -5.350 1.00 0.00 C ATOM 85 C GLY A 10 -5.654 2.845 -6.605 1.00 0.00 C ATOM 86 O GLY A 10 -5.303 3.810 -7.285 1.00 0.00 O ATOM 0 H GLY A 10 -5.985 1.962 -3.634 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.938 2.991 -5.335 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.669 1.398 -5.373 1.00 0.00 H new ATOM 90 N CYS A 11 -6.698 2.083 -6.915 1.00 0.00 N ATOM 91 CA CYS A 11 -7.510 2.343 -8.097 1.00 0.00 C ATOM 92 C CYS A 11 -8.760 3.141 -7.735 1.00 0.00 C ATOM 93 O CYS A 11 -9.095 4.123 -8.395 1.00 0.00 O ATOM 94 CB CYS A 11 -7.909 1.026 -8.766 1.00 0.00 C ATOM 95 SG CYS A 11 -8.850 -0.101 -7.687 1.00 0.00 S ATOM 0 H CYS A 11 -7.001 1.280 -6.363 1.00 0.00 H new ATOM 0 HA CYS A 11 -6.914 2.932 -8.794 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -8.505 1.247 -9.651 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -7.008 0.517 -9.108 1.00 0.00 H new ATOM 0 HG CYS A 11 -8.053 -1.010 -7.208 1.00 0.00 H new ATOM 100 N GLY A 12 -9.445 2.710 -6.680 1.00 0.00 N ATOM 101 CA GLY A 12 -10.649 3.395 -6.247 1.00 0.00 C ATOM 102 C GLY A 12 -11.792 2.439 -5.970 1.00 0.00 C ATOM 103 O GLY A 12 -12.706 2.759 -5.210 1.00 0.00 O ATOM 0 H GLY A 12 -9.188 1.899 -6.118 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.433 3.969 -5.346 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.953 4.108 -7.013 1.00 0.00 H new ATOM 107 N GLU A 13 -11.742 1.264 -6.589 1.00 0.00 N ATOM 108 CA GLU A 13 -12.784 0.260 -6.405 1.00 0.00 C ATOM 109 C GLU A 13 -13.027 -0.007 -4.923 1.00 0.00 C ATOM 110 O GLU A 13 -12.141 0.191 -4.091 1.00 0.00 O ATOM 111 CB GLU A 13 -12.399 -1.041 -7.112 1.00 0.00 C ATOM 112 CG GLU A 13 -12.224 -0.889 -8.614 1.00 0.00 C ATOM 113 CD GLU A 13 -12.564 -2.157 -9.373 1.00 0.00 C ATOM 114 OE1 GLU A 13 -13.671 -2.695 -9.160 1.00 0.00 O ATOM 115 OE2 GLU A 13 -11.725 -2.611 -10.178 1.00 0.00 O ATOM 0 H GLU A 13 -10.992 0.984 -7.221 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.705 0.645 -6.843 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.470 -1.417 -6.683 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.166 -1.791 -6.918 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.858 -0.077 -8.969 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.193 -0.607 -8.829 1.00 0.00 H new ATOM 122 N ASP A 14 -14.235 -0.456 -4.599 1.00 0.00 N ATOM 123 CA ASP A 14 -14.596 -0.751 -3.217 1.00 0.00 C ATOM 124 C ASP A 14 -13.690 -1.832 -2.638 1.00 0.00 C ATOM 125 O ASP A 14 -13.464 -2.869 -3.262 1.00 0.00 O ATOM 126 CB ASP A 14 -16.058 -1.194 -3.133 1.00 0.00 C ATOM 127 CG ASP A 14 -17.007 -0.175 -3.733 1.00 0.00 C ATOM 128 OD1 ASP A 14 -16.807 0.205 -4.906 1.00 0.00 O ATOM 129 OD2 ASP A 14 -17.950 0.243 -3.029 1.00 0.00 O ATOM 0 H ASP A 14 -14.981 -0.624 -5.275 1.00 0.00 H new ATOM 0 HA ASP A 14 -14.466 0.159 -2.631 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -16.177 -2.146 -3.651 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -16.324 -1.364 -2.090 1.00 0.00 H new ATOM 134 N VAL A 15 -13.171 -1.583 -1.439 1.00 0.00 N ATOM 135 CA VAL A 15 -12.289 -2.535 -0.775 1.00 0.00 C ATOM 136 C VAL A 15 -13.041 -3.333 0.285 1.00 0.00 C ATOM 137 O VAL A 15 -13.297 -2.839 1.384 1.00 0.00 O ATOM 138 CB VAL A 15 -11.092 -1.825 -0.115 1.00 0.00 C ATOM 139 CG1 VAL A 15 -10.197 -2.832 0.592 1.00 0.00 C ATOM 140 CG2 VAL A 15 -10.306 -1.034 -1.149 1.00 0.00 C ATOM 0 H VAL A 15 -13.347 -0.730 -0.908 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.920 -3.214 -1.543 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.472 -1.127 0.631 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.357 -2.312 1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.769 -3.350 1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.823 -3.557 -0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.464 -0.539 -0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.936 -1.710 -1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.954 -0.285 -1.604 1.00 0.00 H new ATOM 202 N GLY A 21 -8.430 -6.332 1.888 1.00 0.00 N ATOM 203 CA GLY A 21 -8.124 -4.951 2.210 1.00 0.00 C ATOM 204 C GLY A 21 -6.749 -4.790 2.825 1.00 0.00 C ATOM 205 O GLY A 21 -6.574 -4.974 4.030 1.00 0.00 O ATOM 0 HA2 GLY A 21 -8.186 -4.348 1.304 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.875 -4.567 2.901 1.00 0.00 H new ATOM 209 N VAL A 22 -5.768 -4.445 1.997 1.00 0.00 N ATOM 210 CA VAL A 22 -4.400 -4.260 2.467 1.00 0.00 C ATOM 211 C VAL A 22 -4.070 -2.780 2.628 1.00 0.00 C ATOM 212 O VAL A 22 -3.891 -2.062 1.644 1.00 0.00 O ATOM 213 CB VAL A 22 -3.384 -4.899 1.502 1.00 0.00 C ATOM 214 CG1 VAL A 22 -1.970 -4.758 2.045 1.00 0.00 C ATOM 215 CG2 VAL A 22 -3.727 -6.361 1.258 1.00 0.00 C ATOM 0 H VAL A 22 -5.895 -4.288 0.997 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.329 -4.753 3.437 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.435 -4.374 0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.266 -5.215 1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.729 -3.701 2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.900 -5.256 3.012 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.999 -6.796 0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.705 -6.903 2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.723 -6.433 0.821 1.00 0.00 H new ATOM 225 N VAL A 23 -3.990 -2.330 3.876 1.00 0.00 N ATOM 226 CA VAL A 23 -3.680 -0.935 4.168 1.00 0.00 C ATOM 227 C VAL A 23 -2.175 -0.695 4.165 1.00 0.00 C ATOM 228 O VAL A 23 -1.396 -1.572 4.538 1.00 0.00 O ATOM 229 CB VAL A 23 -4.256 -0.505 5.530 1.00 0.00 C ATOM 230 CG1 VAL A 23 -5.716 -0.914 5.646 1.00 0.00 C ATOM 231 CG2 VAL A 23 -3.435 -1.098 6.666 1.00 0.00 C ATOM 0 H VAL A 23 -4.136 -2.911 4.701 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.142 -0.337 3.383 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.202 0.581 5.601 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.105 -0.602 6.615 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.292 -0.437 4.853 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.799 -1.997 5.554 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.856 -0.784 7.621 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.455 -2.186 6.600 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.405 -0.749 6.591 1.00 0.00 H new ATOM 241 N ALA A 24 -1.772 0.499 3.743 1.00 0.00 N ATOM 242 CA ALA A 24 -0.360 0.856 3.695 1.00 0.00 C ATOM 243 C ALA A 24 -0.174 2.369 3.743 1.00 0.00 C ATOM 244 O ALA A 24 -0.652 3.091 2.867 1.00 0.00 O ATOM 245 CB ALA A 24 0.287 0.282 2.443 1.00 0.00 C ATOM 0 H ALA A 24 -2.404 1.236 3.429 1.00 0.00 H new ATOM 0 HA ALA A 24 0.127 0.429 4.571 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.342 0.556 2.420 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.195 -0.804 2.451 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.211 0.682 1.560 1.00 0.00 H new ATOM 251 N LEU A 25 0.522 2.842 4.771 1.00 0.00 N ATOM 252 CA LEU A 25 0.770 4.270 4.933 1.00 0.00 C ATOM 253 C LEU A 25 -0.524 5.017 5.241 1.00 0.00 C ATOM 254 O LEU A 25 -0.776 6.093 4.699 1.00 0.00 O ATOM 255 CB LEU A 25 1.414 4.843 3.669 1.00 0.00 C ATOM 256 CG LEU A 25 2.617 4.075 3.122 1.00 0.00 C ATOM 257 CD1 LEU A 25 2.724 4.253 1.615 1.00 0.00 C ATOM 258 CD2 LEU A 25 3.898 4.532 3.806 1.00 0.00 C ATOM 0 H LEU A 25 0.924 2.258 5.504 1.00 0.00 H new ATOM 0 HA LEU A 25 1.452 4.401 5.773 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.654 4.892 2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.725 5.867 3.876 1.00 0.00 H new ATOM 0 HG LEU A 25 2.473 3.015 3.333 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.586 3.699 1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.818 3.877 1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.844 5.311 1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.744 3.974 3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.047 5.597 3.626 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.822 4.352 4.878 1.00 0.00 H new ATOM 270 N ASP A 26 -1.339 4.439 6.117 1.00 0.00 N ATOM 271 CA ASP A 26 -2.606 5.051 6.500 1.00 0.00 C ATOM 272 C ASP A 26 -3.554 5.130 5.308 1.00 0.00 C ATOM 273 O ASP A 26 -4.306 6.095 5.163 1.00 0.00 O ATOM 274 CB ASP A 26 -2.369 6.449 7.073 1.00 0.00 C ATOM 275 CG ASP A 26 -2.211 6.438 8.581 1.00 0.00 C ATOM 276 OD1 ASP A 26 -2.908 5.642 9.245 1.00 0.00 O ATOM 277 OD2 ASP A 26 -1.390 7.224 9.097 1.00 0.00 O ATOM 0 H ASP A 26 -1.145 3.548 6.575 1.00 0.00 H new ATOM 0 HA ASP A 26 -3.066 4.426 7.266 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.475 6.877 6.620 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.204 7.095 6.803 1.00 0.00 H new ATOM 282 N ARG A 27 -3.513 4.111 4.456 1.00 0.00 N ATOM 283 CA ARG A 27 -4.367 4.067 3.275 1.00 0.00 C ATOM 284 C ARG A 27 -4.906 2.658 3.047 1.00 0.00 C ATOM 285 O ARG A 27 -4.579 1.729 3.786 1.00 0.00 O ATOM 286 CB ARG A 27 -3.591 4.533 2.042 1.00 0.00 C ATOM 287 CG ARG A 27 -3.598 6.041 1.853 1.00 0.00 C ATOM 288 CD ARG A 27 -4.755 6.487 0.972 1.00 0.00 C ATOM 289 NE ARG A 27 -4.702 7.917 0.680 1.00 0.00 N ATOM 290 CZ ARG A 27 -5.312 8.840 1.415 1.00 0.00 C ATOM 291 NH1 ARG A 27 -6.018 8.485 2.480 1.00 0.00 N ATOM 292 NH2 ARG A 27 -5.217 10.122 1.086 1.00 0.00 N ATOM 0 H ARG A 27 -2.897 3.305 4.561 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.210 4.738 3.441 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.559 4.190 2.121 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.016 4.062 1.156 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.669 6.530 2.824 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.656 6.357 1.406 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.737 5.926 0.038 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.698 6.253 1.466 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.167 8.224 -0.133 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.094 7.501 2.737 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.485 9.196 3.042 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.675 10.400 0.268 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.686 10.830 1.651 1.00 0.00 H new ATOM 306 N VAL A 28 -5.736 2.506 2.020 1.00 0.00 N ATOM 307 CA VAL A 28 -6.321 1.211 1.693 1.00 0.00 C ATOM 308 C VAL A 28 -6.000 0.809 0.258 1.00 0.00 C ATOM 309 O VAL A 28 -6.064 1.630 -0.657 1.00 0.00 O ATOM 310 CB VAL A 28 -7.849 1.222 1.882 1.00 0.00 C ATOM 311 CG1 VAL A 28 -8.449 -0.112 1.465 1.00 0.00 C ATOM 312 CG2 VAL A 28 -8.205 1.549 3.325 1.00 0.00 C ATOM 0 H VAL A 28 -6.019 3.265 1.399 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.883 0.484 2.377 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.271 1.998 1.243 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.530 -0.085 1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.224 -0.300 0.415 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.024 -0.909 2.075 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.289 1.553 3.441 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.772 0.798 3.986 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.809 2.531 3.584 1.00 0.00 H new ATOM 322 N PHE A 29 -5.655 -0.460 0.069 1.00 0.00 N ATOM 323 CA PHE A 29 -5.323 -0.972 -1.256 1.00 0.00 C ATOM 324 C PHE A 29 -5.783 -2.419 -1.410 1.00 0.00 C ATOM 325 O PHE A 29 -5.731 -3.204 -0.463 1.00 0.00 O ATOM 326 CB PHE A 29 -3.816 -0.876 -1.501 1.00 0.00 C ATOM 327 CG PHE A 29 -3.251 0.490 -1.231 1.00 0.00 C ATOM 328 CD1 PHE A 29 -3.457 1.528 -2.125 1.00 0.00 C ATOM 329 CD2 PHE A 29 -2.513 0.735 -0.084 1.00 0.00 C ATOM 330 CE1 PHE A 29 -2.939 2.786 -1.880 1.00 0.00 C ATOM 331 CE2 PHE A 29 -1.993 1.990 0.167 1.00 0.00 C ATOM 332 CZ PHE A 29 -2.205 3.017 -0.733 1.00 0.00 C ATOM 0 H PHE A 29 -5.598 -1.153 0.816 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.843 -0.362 -1.995 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.306 -1.603 -0.869 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.606 -1.150 -2.535 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.029 1.352 -3.024 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.342 -0.064 0.622 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.108 3.587 -2.584 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.421 2.168 1.066 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.798 3.998 -0.540 1.00 0.00 H new ATOM 342 N HIS A 30 -6.235 -2.765 -2.612 1.00 0.00 N ATOM 343 CA HIS A 30 -6.704 -4.117 -2.892 1.00 0.00 C ATOM 344 C HIS A 30 -5.539 -5.102 -2.922 1.00 0.00 C ATOM 345 O HIS A 30 -4.422 -4.746 -3.296 1.00 0.00 O ATOM 346 CB HIS A 30 -7.453 -4.154 -4.224 1.00 0.00 C ATOM 347 CG HIS A 30 -8.900 -3.786 -4.109 1.00 0.00 C ATOM 348 ND1 HIS A 30 -9.426 -2.625 -4.634 1.00 0.00 N ATOM 349 CD2 HIS A 30 -9.935 -4.435 -3.525 1.00 0.00 C ATOM 350 CE1 HIS A 30 -10.721 -2.575 -4.377 1.00 0.00 C ATOM 351 NE2 HIS A 30 -11.055 -3.662 -3.705 1.00 0.00 N ATOM 0 H HIS A 30 -6.286 -2.128 -3.407 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.384 -4.411 -2.093 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -6.968 -3.473 -4.923 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.374 -5.155 -4.648 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -8.898 -1.915 -5.142 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -9.888 -5.385 -3.013 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -11.392 -1.780 -4.667 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -11.992 -3.890 -3.374 1.00 0.00 H new ATOM 359 N VAL A 31 -5.808 -6.341 -2.525 1.00 0.00 N ATOM 360 CA VAL A 31 -4.782 -7.378 -2.507 1.00 0.00 C ATOM 361 C VAL A 31 -3.929 -7.329 -3.769 1.00 0.00 C ATOM 362 O VAL A 31 -2.760 -7.712 -3.757 1.00 0.00 O ATOM 363 CB VAL A 31 -5.404 -8.780 -2.374 1.00 0.00 C ATOM 364 CG1 VAL A 31 -6.211 -8.888 -1.089 1.00 0.00 C ATOM 365 CG2 VAL A 31 -6.269 -9.096 -3.585 1.00 0.00 C ATOM 0 H VAL A 31 -6.727 -6.652 -2.211 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.152 -7.185 -1.639 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.598 -9.513 -2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.643 -9.886 -1.013 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.559 -8.709 -0.234 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.010 -8.147 -1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.701 -10.091 -3.474 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.069 -8.360 -3.663 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.658 -9.064 -4.487 1.00 0.00 H new ATOM 375 N GLY A 32 -4.523 -6.854 -4.860 1.00 0.00 N ATOM 376 CA GLY A 32 -3.803 -6.763 -6.117 1.00 0.00 C ATOM 377 C GLY A 32 -3.252 -5.374 -6.370 1.00 0.00 C ATOM 378 O GLY A 32 -2.116 -5.221 -6.820 1.00 0.00 O ATOM 0 H GLY A 32 -5.490 -6.531 -4.896 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.983 -7.481 -6.115 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.468 -7.041 -6.934 1.00 0.00 H new ATOM 382 N CYS A 33 -4.058 -4.358 -6.083 1.00 0.00 N ATOM 383 CA CYS A 33 -3.647 -2.974 -6.284 1.00 0.00 C ATOM 384 C CYS A 33 -2.311 -2.698 -5.599 1.00 0.00 C ATOM 385 O CYS A 33 -1.366 -2.221 -6.227 1.00 0.00 O ATOM 386 CB CYS A 33 -4.715 -2.019 -5.746 1.00 0.00 C ATOM 387 SG CYS A 33 -6.178 -1.860 -6.819 1.00 0.00 S ATOM 0 H CYS A 33 -5.001 -4.467 -5.710 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.528 -2.809 -7.355 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -5.034 -2.365 -4.763 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.270 -1.034 -5.608 1.00 0.00 H new ATOM 0 HG CYS A 33 -6.184 -0.684 -7.373 1.00 0.00 H new ATOM 392 N PHE A 34 -2.241 -3.003 -4.308 1.00 0.00 N ATOM 393 CA PHE A 34 -1.022 -2.788 -3.536 1.00 0.00 C ATOM 394 C PHE A 34 0.164 -3.494 -4.187 1.00 0.00 C ATOM 395 O PHE A 34 0.221 -4.722 -4.234 1.00 0.00 O ATOM 396 CB PHE A 34 -1.205 -3.291 -2.103 1.00 0.00 C ATOM 397 CG PHE A 34 -0.162 -2.779 -1.151 1.00 0.00 C ATOM 398 CD1 PHE A 34 0.128 -1.426 -1.082 1.00 0.00 C ATOM 399 CD2 PHE A 34 0.528 -3.651 -0.325 1.00 0.00 C ATOM 400 CE1 PHE A 34 1.087 -0.951 -0.207 1.00 0.00 C ATOM 401 CE2 PHE A 34 1.487 -3.182 0.553 1.00 0.00 C ATOM 402 CZ PHE A 34 1.768 -1.831 0.611 1.00 0.00 C ATOM 0 H PHE A 34 -3.014 -3.400 -3.774 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.819 -1.717 -3.514 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.190 -2.993 -1.745 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.182 -4.381 -2.103 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.402 -0.734 -1.720 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.314 -4.709 -0.367 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.303 0.106 -0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.016 -3.872 1.194 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.519 -1.463 1.295 1.00 0.00 H new ATOM 412 N VAL A 35 1.110 -2.706 -4.689 1.00 0.00 N ATOM 413 CA VAL A 35 2.296 -3.254 -5.337 1.00 0.00 C ATOM 414 C VAL A 35 3.425 -2.230 -5.373 1.00 0.00 C ATOM 415 O VAL A 35 3.220 -1.053 -5.074 1.00 0.00 O ATOM 416 CB VAL A 35 1.989 -3.714 -6.774 1.00 0.00 C ATOM 417 CG1 VAL A 35 0.817 -4.683 -6.786 1.00 0.00 C ATOM 418 CG2 VAL A 35 1.709 -2.515 -7.668 1.00 0.00 C ATOM 0 H VAL A 35 1.078 -1.687 -4.659 1.00 0.00 H new ATOM 0 HA VAL A 35 2.609 -4.115 -4.747 1.00 0.00 H new ATOM 0 HB VAL A 35 2.863 -4.234 -7.165 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.615 -4.997 -7.810 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.060 -5.556 -6.180 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.066 -4.192 -6.376 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.494 -2.858 -8.680 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.851 -1.965 -7.281 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.581 -1.862 -7.684 1.00 0.00 H new ATOM 428 N CYS A 36 4.618 -2.685 -5.741 1.00 0.00 N ATOM 429 CA CYS A 36 5.781 -1.809 -5.816 1.00 0.00 C ATOM 430 C CYS A 36 5.539 -0.667 -6.799 1.00 0.00 C ATOM 431 O CYS A 36 4.592 -0.700 -7.585 1.00 0.00 O ATOM 432 CB CYS A 36 7.018 -2.605 -6.237 1.00 0.00 C ATOM 433 SG CYS A 36 8.584 -1.689 -6.070 1.00 0.00 S ATOM 0 H CYS A 36 4.805 -3.656 -5.992 1.00 0.00 H new ATOM 0 HA CYS A 36 5.950 -1.384 -4.827 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.075 -3.513 -5.636 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.901 -2.917 -7.275 1.00 0.00 H new ATOM 0 HG CYS A 36 9.531 -2.332 -6.687 1.00 0.00 H new ATOM 438 N SER A 37 6.402 0.343 -6.749 1.00 0.00 N ATOM 439 CA SER A 37 6.280 1.497 -7.632 1.00 0.00 C ATOM 440 C SER A 37 7.189 1.348 -8.849 1.00 0.00 C ATOM 441 O SER A 37 6.950 1.953 -9.894 1.00 0.00 O ATOM 442 CB SER A 37 6.627 2.782 -6.877 1.00 0.00 C ATOM 443 OG SER A 37 6.621 3.901 -7.745 1.00 0.00 O ATOM 0 H SER A 37 7.193 0.385 -6.106 1.00 0.00 H new ATOM 0 HA SER A 37 5.247 1.553 -7.976 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.910 2.939 -6.071 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.609 2.682 -6.415 1.00 0.00 H new ATOM 0 HG SER A 37 7.508 4.318 -7.747 1.00 0.00 H new ATOM 449 N THR A 38 8.233 0.538 -8.704 1.00 0.00 N ATOM 450 CA THR A 38 9.178 0.310 -9.790 1.00 0.00 C ATOM 451 C THR A 38 8.858 -0.981 -10.535 1.00 0.00 C ATOM 452 O THR A 38 8.425 -0.953 -11.687 1.00 0.00 O ATOM 453 CB THR A 38 10.626 0.242 -9.268 1.00 0.00 C ATOM 454 OG1 THR A 38 10.981 1.482 -8.646 1.00 0.00 O ATOM 455 CG2 THR A 38 11.596 -0.058 -10.401 1.00 0.00 C ATOM 0 H THR A 38 8.445 0.029 -7.846 1.00 0.00 H new ATOM 0 HA THR A 38 9.084 1.154 -10.474 1.00 0.00 H new ATOM 0 HB THR A 38 10.687 -0.563 -8.535 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.902 1.430 -8.315 1.00 0.00 H new ATOM 0 HG21 THR A 38 12.612 -0.101 -10.008 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.341 -1.016 -10.854 1.00 0.00 H new ATOM 0 HG23 THR A 38 11.531 0.728 -11.153 1.00 0.00 H new ATOM 463 N CYS A 39 9.074 -2.111 -9.871 1.00 0.00 N ATOM 464 CA CYS A 39 8.809 -3.414 -10.470 1.00 0.00 C ATOM 465 C CYS A 39 7.322 -3.752 -10.399 1.00 0.00 C ATOM 466 O CYS A 39 6.850 -4.667 -11.075 1.00 0.00 O ATOM 467 CB CYS A 39 9.624 -4.499 -9.765 1.00 0.00 C ATOM 468 SG CYS A 39 8.946 -5.010 -8.154 1.00 0.00 S ATOM 0 H CYS A 39 9.432 -2.151 -8.917 1.00 0.00 H new ATOM 0 HA CYS A 39 9.105 -3.371 -11.518 1.00 0.00 H new ATOM 0 HB2 CYS A 39 9.685 -5.372 -10.415 1.00 0.00 H new ATOM 0 HB3 CYS A 39 10.642 -4.137 -9.620 1.00 0.00 H new ATOM 0 HG CYS A 39 9.573 -6.069 -7.736 1.00 0.00 H new ATOM 473 N ARG A 40 6.590 -3.008 -9.576 1.00 0.00 N ATOM 474 CA ARG A 40 5.159 -3.230 -9.415 1.00 0.00 C ATOM 475 C ARG A 40 4.871 -4.681 -9.042 1.00 0.00 C ATOM 476 O ARG A 40 3.972 -5.310 -9.601 1.00 0.00 O ATOM 477 CB ARG A 40 4.417 -2.867 -10.703 1.00 0.00 C ATOM 478 CG ARG A 40 4.204 -1.373 -10.883 1.00 0.00 C ATOM 479 CD ARG A 40 5.515 -0.651 -11.151 1.00 0.00 C ATOM 480 NE ARG A 40 6.092 -1.024 -12.439 1.00 0.00 N ATOM 481 CZ ARG A 40 5.802 -0.409 -13.580 1.00 0.00 C ATOM 482 NH1 ARG A 40 4.947 0.604 -13.592 1.00 0.00 N ATOM 483 NH2 ARG A 40 6.368 -0.807 -14.713 1.00 0.00 N ATOM 0 H ARG A 40 6.965 -2.246 -9.011 1.00 0.00 H new ATOM 0 HA ARG A 40 4.807 -2.589 -8.607 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.977 -3.251 -11.556 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.448 -3.367 -10.707 1.00 0.00 H new ATOM 0 HG2 ARG A 40 3.516 -1.200 -11.711 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.737 -0.961 -9.989 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.347 0.426 -11.127 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.224 -0.881 -10.356 1.00 0.00 H new ATOM 0 HE ARG A 40 6.754 -1.799 -12.464 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.510 0.913 -12.724 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.726 1.075 -14.470 1.00 0.00 H new ATOM 0 HH21 ARG A 40 7.026 -1.586 -14.708 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.144 -0.334 -15.589 1.00 0.00 H new ATOM 497 N ALA A 41 5.642 -5.207 -8.096 1.00 0.00 N ATOM 498 CA ALA A 41 5.469 -6.583 -7.647 1.00 0.00 C ATOM 499 C ALA A 41 4.410 -6.676 -6.554 1.00 0.00 C ATOM 500 O ALA A 41 4.168 -5.711 -5.830 1.00 0.00 O ATOM 501 CB ALA A 41 6.793 -7.147 -7.151 1.00 0.00 C ATOM 0 H ALA A 41 6.392 -4.701 -7.626 1.00 0.00 H new ATOM 0 HA ALA A 41 5.129 -7.175 -8.496 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.649 -8.175 -6.819 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.523 -7.126 -7.960 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.156 -6.544 -6.319 1.00 0.00 H new ATOM 507 N GLN A 42 3.783 -7.842 -6.442 1.00 0.00 N ATOM 508 CA GLN A 42 2.748 -8.059 -5.437 1.00 0.00 C ATOM 509 C GLN A 42 3.320 -7.927 -4.030 1.00 0.00 C ATOM 510 O GLN A 42 4.147 -8.735 -3.606 1.00 0.00 O ATOM 511 CB GLN A 42 2.115 -9.440 -5.616 1.00 0.00 C ATOM 512 CG GLN A 42 0.926 -9.446 -6.563 1.00 0.00 C ATOM 513 CD GLN A 42 -0.065 -10.549 -6.248 1.00 0.00 C ATOM 514 OE1 GLN A 42 0.312 -11.710 -6.087 1.00 0.00 O ATOM 515 NE2 GLN A 42 -1.341 -10.192 -6.158 1.00 0.00 N ATOM 0 H GLN A 42 3.973 -8.651 -7.034 1.00 0.00 H new ATOM 0 HA GLN A 42 1.981 -7.296 -5.571 1.00 0.00 H new ATOM 0 HB2 GLN A 42 2.870 -10.131 -5.990 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.796 -9.813 -4.643 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.420 -8.482 -6.511 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.282 -9.564 -7.586 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -1.609 -9.218 -6.299 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.053 -10.892 -5.948 1.00 0.00 H new ATOM 524 N LEU A 43 2.875 -6.904 -3.309 1.00 0.00 N ATOM 525 CA LEU A 43 3.343 -6.665 -1.948 1.00 0.00 C ATOM 526 C LEU A 43 2.280 -7.063 -0.929 1.00 0.00 C ATOM 527 O LEU A 43 2.331 -6.651 0.229 1.00 0.00 O ATOM 528 CB LEU A 43 3.714 -5.192 -1.766 1.00 0.00 C ATOM 529 CG LEU A 43 4.683 -4.612 -2.797 1.00 0.00 C ATOM 530 CD1 LEU A 43 4.881 -3.122 -2.564 1.00 0.00 C ATOM 531 CD2 LEU A 43 6.016 -5.343 -2.747 1.00 0.00 C ATOM 0 H LEU A 43 2.190 -6.226 -3.644 1.00 0.00 H new ATOM 0 HA LEU A 43 4.228 -7.279 -1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.798 -4.602 -1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.152 -5.068 -0.775 1.00 0.00 H new ATOM 0 HG LEU A 43 4.253 -4.750 -3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.574 -2.726 -3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.923 -2.610 -2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.289 -2.961 -1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.693 -4.917 -3.488 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.452 -5.237 -1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.860 -6.400 -2.964 1.00 0.00 H new ATOM 543 N ARG A 44 1.318 -7.868 -1.369 1.00 0.00 N ATOM 544 CA ARG A 44 0.243 -8.323 -0.495 1.00 0.00 C ATOM 545 C ARG A 44 0.802 -8.861 0.819 1.00 0.00 C ATOM 546 O ARG A 44 0.365 -8.466 1.899 1.00 0.00 O ATOM 547 CB ARG A 44 -0.585 -9.405 -1.191 1.00 0.00 C ATOM 548 CG ARG A 44 -1.627 -10.048 -0.290 1.00 0.00 C ATOM 549 CD ARG A 44 -2.379 -11.156 -1.010 1.00 0.00 C ATOM 550 NE ARG A 44 -1.546 -12.336 -1.220 1.00 0.00 N ATOM 551 CZ ARG A 44 -1.386 -13.294 -0.314 1.00 0.00 C ATOM 552 NH1 ARG A 44 -2.001 -13.211 0.858 1.00 0.00 N ATOM 553 NH2 ARG A 44 -0.611 -14.338 -0.579 1.00 0.00 N ATOM 0 H ARG A 44 1.261 -8.218 -2.325 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.399 -7.470 -0.275 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.084 -8.968 -2.056 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.085 -10.178 -1.567 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.141 -10.454 0.598 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.332 -9.290 0.051 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.260 -11.433 -0.430 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.734 -10.787 -1.972 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.060 -12.430 -2.112 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.598 -12.410 1.065 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.877 -13.948 1.552 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.137 -14.406 -1.480 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.489 -15.073 0.118 1.00 0.00 H new ATOM 567 N GLY A 45 1.770 -9.766 0.718 1.00 0.00 N ATOM 568 CA GLY A 45 2.372 -10.344 1.905 1.00 0.00 C ATOM 569 C GLY A 45 3.874 -10.501 1.776 1.00 0.00 C ATOM 570 O GLY A 45 4.364 -11.570 1.413 1.00 0.00 O ATOM 0 H GLY A 45 2.148 -10.109 -0.165 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.148 -9.714 2.766 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.923 -11.318 2.098 1.00 0.00 H new ATOM 574 N GLN A 46 4.607 -9.433 2.074 1.00 0.00 N ATOM 575 CA GLN A 46 6.062 -9.456 1.986 1.00 0.00 C ATOM 576 C GLN A 46 6.668 -8.225 2.652 1.00 0.00 C ATOM 577 O GLN A 46 5.948 -7.348 3.132 1.00 0.00 O ATOM 578 CB GLN A 46 6.505 -9.530 0.524 1.00 0.00 C ATOM 579 CG GLN A 46 6.414 -8.200 -0.207 1.00 0.00 C ATOM 580 CD GLN A 46 6.981 -8.266 -1.611 1.00 0.00 C ATOM 581 OE1 GLN A 46 6.442 -8.954 -2.479 1.00 0.00 O ATOM 582 NE2 GLN A 46 8.074 -7.549 -1.843 1.00 0.00 N ATOM 0 H GLN A 46 4.217 -8.541 2.378 1.00 0.00 H new ATOM 0 HA GLN A 46 6.418 -10.342 2.511 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.534 -9.888 0.482 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.890 -10.264 0.003 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.371 -7.887 -0.255 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.950 -7.440 0.362 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.488 -6.993 -1.095 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.500 -7.554 -2.770 1.00 0.00 H new ATOM 591 N HIS A 47 7.995 -8.166 2.680 1.00 0.00 N ATOM 592 CA HIS A 47 8.698 -7.041 3.287 1.00 0.00 C ATOM 593 C HIS A 47 8.963 -5.947 2.258 1.00 0.00 C ATOM 594 O HIS A 47 9.667 -6.165 1.271 1.00 0.00 O ATOM 595 CB HIS A 47 10.017 -7.509 3.902 1.00 0.00 C ATOM 596 CG HIS A 47 9.847 -8.245 5.196 1.00 0.00 C ATOM 597 ND1 HIS A 47 10.805 -8.256 6.187 1.00 0.00 N ATOM 598 CD2 HIS A 47 8.820 -8.997 5.658 1.00 0.00 C ATOM 599 CE1 HIS A 47 10.376 -8.984 7.203 1.00 0.00 C ATOM 600 NE2 HIS A 47 9.174 -9.444 6.907 1.00 0.00 N ATOM 0 H HIS A 47 8.606 -8.884 2.290 1.00 0.00 H new ATOM 0 HA HIS A 47 8.065 -6.630 4.073 1.00 0.00 H new ATOM 0 HB2 HIS A 47 10.531 -8.155 3.191 1.00 0.00 H new ATOM 0 HB3 HIS A 47 10.659 -6.643 4.067 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.895 -9.206 5.141 1.00 0.00 H new ATOM 0 HE1 HIS A 47 10.916 -9.171 8.119 1.00 0.00 H new ATOM 0 HE2 HIS A 47 8.601 -10.036 7.509 1.00 0.00 H new ATOM 609 N PHE A 48 8.395 -4.769 2.494 1.00 0.00 N ATOM 610 CA PHE A 48 8.569 -3.640 1.587 1.00 0.00 C ATOM 611 C PHE A 48 9.053 -2.405 2.342 1.00 0.00 C ATOM 612 O PHE A 48 9.193 -2.427 3.565 1.00 0.00 O ATOM 613 CB PHE A 48 7.255 -3.330 0.868 1.00 0.00 C ATOM 614 CG PHE A 48 6.060 -3.327 1.777 1.00 0.00 C ATOM 615 CD1 PHE A 48 5.474 -4.517 2.178 1.00 0.00 C ATOM 616 CD2 PHE A 48 5.521 -2.134 2.231 1.00 0.00 C ATOM 617 CE1 PHE A 48 4.375 -4.519 3.015 1.00 0.00 C ATOM 618 CE2 PHE A 48 4.422 -2.129 3.069 1.00 0.00 C ATOM 619 CZ PHE A 48 3.847 -3.322 3.460 1.00 0.00 C ATOM 0 H PHE A 48 7.810 -4.571 3.306 1.00 0.00 H new ATOM 0 HA PHE A 48 9.324 -3.911 0.849 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.336 -2.357 0.384 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.099 -4.066 0.079 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.882 -5.455 1.832 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.965 -1.198 1.927 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.929 -5.454 3.321 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.013 -1.192 3.418 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.986 -3.320 4.112 1.00 0.00 H new ATOM 629 N TYR A 49 9.306 -1.330 1.604 1.00 0.00 N ATOM 630 CA TYR A 49 9.776 -0.086 2.201 1.00 0.00 C ATOM 631 C TYR A 49 8.812 1.059 1.907 1.00 0.00 C ATOM 632 O TYR A 49 7.936 0.942 1.051 1.00 0.00 O ATOM 633 CB TYR A 49 11.172 0.259 1.678 1.00 0.00 C ATOM 634 CG TYR A 49 12.283 -0.492 2.376 1.00 0.00 C ATOM 635 CD1 TYR A 49 12.612 -1.789 2.003 1.00 0.00 C ATOM 636 CD2 TYR A 49 13.004 0.095 3.408 1.00 0.00 C ATOM 637 CE1 TYR A 49 13.626 -2.480 2.637 1.00 0.00 C ATOM 638 CE2 TYR A 49 14.021 -0.587 4.048 1.00 0.00 C ATOM 639 CZ TYR A 49 14.328 -1.875 3.659 1.00 0.00 C ATOM 640 OH TYR A 49 15.339 -2.558 4.294 1.00 0.00 O ATOM 0 H TYR A 49 9.193 -1.295 0.591 1.00 0.00 H new ATOM 0 HA TYR A 49 9.824 -0.226 3.281 1.00 0.00 H new ATOM 0 HB2 TYR A 49 11.214 0.044 0.610 1.00 0.00 H new ATOM 0 HB3 TYR A 49 11.340 1.330 1.794 1.00 0.00 H new ATOM 0 HD1 TYR A 49 12.065 -2.266 1.203 1.00 0.00 H new ATOM 0 HD2 TYR A 49 12.765 1.102 3.716 1.00 0.00 H new ATOM 0 HE1 TYR A 49 13.868 -3.488 2.334 1.00 0.00 H new ATOM 0 HE2 TYR A 49 14.572 -0.115 4.848 1.00 0.00 H new ATOM 0 HH TYR A 49 15.732 -1.989 4.988 1.00 0.00 H new ATOM 650 N ALA A 50 8.982 2.165 2.623 1.00 0.00 N ATOM 651 CA ALA A 50 8.130 3.333 2.437 1.00 0.00 C ATOM 652 C ALA A 50 8.963 4.590 2.207 1.00 0.00 C ATOM 653 O ALA A 50 9.636 5.076 3.116 1.00 0.00 O ATOM 654 CB ALA A 50 7.216 3.517 3.640 1.00 0.00 C ATOM 0 H ALA A 50 9.702 2.277 3.337 1.00 0.00 H new ATOM 0 HA ALA A 50 7.518 3.167 1.551 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.585 4.393 3.487 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.588 2.634 3.758 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.819 3.656 4.537 1.00 0.00 H new ATOM 660 N VAL A 51 8.914 5.111 0.985 1.00 0.00 N ATOM 661 CA VAL A 51 9.664 6.312 0.636 1.00 0.00 C ATOM 662 C VAL A 51 8.859 7.211 -0.296 1.00 0.00 C ATOM 663 O VAL A 51 8.410 6.777 -1.357 1.00 0.00 O ATOM 664 CB VAL A 51 11.003 5.960 -0.038 1.00 0.00 C ATOM 665 CG1 VAL A 51 11.766 7.225 -0.403 1.00 0.00 C ATOM 666 CG2 VAL A 51 11.837 5.067 0.868 1.00 0.00 C ATOM 0 H VAL A 51 8.363 4.720 0.221 1.00 0.00 H new ATOM 0 HA VAL A 51 9.862 6.844 1.567 1.00 0.00 H new ATOM 0 HB VAL A 51 10.794 5.412 -0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.710 6.956 -0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 51 11.170 7.823 -1.092 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.966 7.803 0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.780 4.828 0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.038 5.586 1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.291 4.146 1.073 1.00 0.00 H new ATOM 676 N GLU A 52 8.681 8.465 0.108 1.00 0.00 N ATOM 677 CA GLU A 52 7.930 9.425 -0.692 1.00 0.00 C ATOM 678 C GLU A 52 6.481 8.977 -0.861 1.00 0.00 C ATOM 679 O GLU A 52 5.882 9.159 -1.921 1.00 0.00 O ATOM 680 CB GLU A 52 8.583 9.601 -2.065 1.00 0.00 C ATOM 681 CG GLU A 52 9.941 10.280 -2.009 1.00 0.00 C ATOM 682 CD GLU A 52 10.300 10.973 -3.309 1.00 0.00 C ATOM 683 OE1 GLU A 52 10.746 10.280 -4.247 1.00 0.00 O ATOM 684 OE2 GLU A 52 10.136 12.209 -3.388 1.00 0.00 O ATOM 0 H GLU A 52 9.046 8.839 0.984 1.00 0.00 H new ATOM 0 HA GLU A 52 7.939 10.381 -0.168 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.694 8.623 -2.534 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.919 10.186 -2.702 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.945 11.010 -1.199 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.705 9.538 -1.774 1.00 0.00 H new ATOM 691 N ARG A 53 5.923 8.389 0.193 1.00 0.00 N ATOM 692 CA ARG A 53 4.546 7.912 0.162 1.00 0.00 C ATOM 693 C ARG A 53 4.369 6.828 -0.896 1.00 0.00 C ATOM 694 O ARG A 53 3.344 6.770 -1.576 1.00 0.00 O ATOM 695 CB ARG A 53 3.589 9.073 -0.117 1.00 0.00 C ATOM 696 CG ARG A 53 3.259 9.900 1.114 1.00 0.00 C ATOM 697 CD ARG A 53 2.175 10.926 0.823 1.00 0.00 C ATOM 698 NE ARG A 53 0.841 10.331 0.829 1.00 0.00 N ATOM 699 CZ ARG A 53 -0.263 11.006 1.125 1.00 0.00 C ATOM 700 NH1 ARG A 53 -0.194 12.293 1.436 1.00 0.00 N ATOM 701 NH2 ARG A 53 -1.441 10.394 1.109 1.00 0.00 N ATOM 0 H ARG A 53 6.404 8.232 1.079 1.00 0.00 H new ATOM 0 HA ARG A 53 4.314 7.484 1.137 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.030 9.723 -0.873 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.664 8.677 -0.537 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.931 9.242 1.919 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.158 10.408 1.464 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.220 11.722 1.567 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.362 11.386 -0.147 1.00 0.00 H new ATOM 0 HE ARG A 53 0.753 9.343 0.593 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.709 12.767 1.448 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.044 12.809 1.663 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.498 9.404 0.869 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.289 10.914 1.337 1.00 0.00 H new ATOM 715 N ARG A 54 5.375 5.969 -1.030 1.00 0.00 N ATOM 716 CA ARG A 54 5.331 4.888 -2.007 1.00 0.00 C ATOM 717 C ARG A 54 5.718 3.559 -1.364 1.00 0.00 C ATOM 718 O ARG A 54 6.053 3.505 -0.181 1.00 0.00 O ATOM 719 CB ARG A 54 6.268 5.191 -3.178 1.00 0.00 C ATOM 720 CG ARG A 54 5.672 6.142 -4.203 1.00 0.00 C ATOM 721 CD ARG A 54 6.457 6.121 -5.505 1.00 0.00 C ATOM 722 NE ARG A 54 5.807 6.908 -6.550 1.00 0.00 N ATOM 723 CZ ARG A 54 4.700 6.526 -7.177 1.00 0.00 C ATOM 724 NH1 ARG A 54 4.123 5.373 -6.866 1.00 0.00 N ATOM 725 NH2 ARG A 54 4.168 7.297 -8.116 1.00 0.00 N ATOM 0 H ARG A 54 6.230 6.001 -0.474 1.00 0.00 H new ATOM 0 HA ARG A 54 4.309 4.810 -2.379 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.193 5.620 -2.791 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.532 4.256 -3.672 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.636 5.866 -4.397 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.662 7.154 -3.799 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.460 6.510 -5.330 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.569 5.091 -5.844 1.00 0.00 H new ATOM 0 HE ARG A 54 6.226 7.800 -6.813 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.529 4.778 -6.144 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.273 5.082 -7.349 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.609 8.184 -8.357 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.318 7.002 -8.597 1.00 0.00 H new ATOM 739 N ALA A 55 5.669 2.490 -2.152 1.00 0.00 N ATOM 740 CA ALA A 55 6.015 1.162 -1.660 1.00 0.00 C ATOM 741 C ALA A 55 7.085 0.515 -2.533 1.00 0.00 C ATOM 742 O ALA A 55 6.864 0.260 -3.717 1.00 0.00 O ATOM 743 CB ALA A 55 4.776 0.281 -1.602 1.00 0.00 C ATOM 0 H ALA A 55 5.393 2.518 -3.134 1.00 0.00 H new ATOM 0 HA ALA A 55 6.419 1.269 -0.653 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.049 -0.708 -1.233 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.042 0.729 -0.932 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.347 0.190 -2.600 1.00 0.00 H new ATOM 749 N TYR A 56 8.246 0.254 -1.941 1.00 0.00 N ATOM 750 CA TYR A 56 9.352 -0.360 -2.666 1.00 0.00 C ATOM 751 C TYR A 56 9.758 -1.682 -2.022 1.00 0.00 C ATOM 752 O TYR A 56 10.162 -1.722 -0.859 1.00 0.00 O ATOM 753 CB TYR A 56 10.551 0.589 -2.709 1.00 0.00 C ATOM 754 CG TYR A 56 10.325 1.811 -3.571 1.00 0.00 C ATOM 755 CD1 TYR A 56 10.573 1.777 -4.937 1.00 0.00 C ATOM 756 CD2 TYR A 56 9.863 2.999 -3.018 1.00 0.00 C ATOM 757 CE1 TYR A 56 10.370 2.891 -5.728 1.00 0.00 C ATOM 758 CE2 TYR A 56 9.655 4.117 -3.802 1.00 0.00 C ATOM 759 CZ TYR A 56 9.910 4.058 -5.156 1.00 0.00 C ATOM 760 OH TYR A 56 9.704 5.170 -5.941 1.00 0.00 O ATOM 0 H TYR A 56 8.445 0.458 -0.962 1.00 0.00 H new ATOM 0 HA TYR A 56 9.019 -0.560 -3.684 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.787 0.909 -1.694 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.420 0.047 -3.082 1.00 0.00 H new ATOM 0 HD1 TYR A 56 10.931 0.864 -5.389 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.663 3.049 -1.958 1.00 0.00 H new ATOM 0 HE1 TYR A 56 10.570 2.848 -6.788 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.295 5.033 -3.357 1.00 0.00 H new ATOM 0 HH TYR A 56 9.460 4.890 -6.848 1.00 0.00 H new ATOM 770 N CYS A 57 9.649 -2.763 -2.786 1.00 0.00 N ATOM 771 CA CYS A 57 10.005 -4.088 -2.293 1.00 0.00 C ATOM 772 C CYS A 57 11.485 -4.154 -1.928 1.00 0.00 C ATOM 773 O CYS A 57 12.321 -3.520 -2.570 1.00 0.00 O ATOM 774 CB CYS A 57 9.680 -5.151 -3.344 1.00 0.00 C ATOM 775 SG CYS A 57 10.516 -4.895 -4.942 1.00 0.00 S ATOM 0 H CYS A 57 9.317 -2.748 -3.750 1.00 0.00 H new ATOM 0 HA CYS A 57 9.419 -4.283 -1.395 1.00 0.00 H new ATOM 0 HB2 CYS A 57 9.958 -6.130 -2.953 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.603 -5.167 -3.508 1.00 0.00 H new ATOM 0 HG CYS A 57 9.648 -4.986 -5.905 1.00 0.00 H new ATOM 780 N GLU A 58 11.800 -4.925 -0.892 1.00 0.00 N ATOM 781 CA GLU A 58 13.179 -5.072 -0.441 1.00 0.00 C ATOM 782 C GLU A 58 14.146 -5.015 -1.621 1.00 0.00 C ATOM 783 O GLU A 58 15.147 -4.302 -1.582 1.00 0.00 O ATOM 784 CB GLU A 58 13.354 -6.392 0.313 1.00 0.00 C ATOM 785 CG GLU A 58 14.799 -6.704 0.666 1.00 0.00 C ATOM 786 CD GLU A 58 14.922 -7.576 1.901 1.00 0.00 C ATOM 787 OE1 GLU A 58 14.891 -7.025 3.021 1.00 0.00 O ATOM 788 OE2 GLU A 58 15.050 -8.808 1.747 1.00 0.00 O ATOM 0 H GLU A 58 11.120 -5.457 -0.350 1.00 0.00 H new ATOM 0 HA GLU A 58 13.405 -4.245 0.232 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.764 -6.359 1.229 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.954 -7.204 -0.295 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.275 -7.205 -0.177 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.339 -5.771 0.829 1.00 0.00 H new ATOM 795 N GLY A 59 13.837 -5.773 -2.669 1.00 0.00 N ATOM 796 CA GLY A 59 14.688 -5.796 -3.844 1.00 0.00 C ATOM 797 C GLY A 59 14.911 -4.413 -4.424 1.00 0.00 C ATOM 798 O GLY A 59 16.024 -3.888 -4.385 1.00 0.00 O ATOM 0 H GLY A 59 13.013 -6.371 -2.725 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.650 -6.237 -3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 59 14.238 -6.437 -4.602 1.00 0.00 H new ATOM 802 N CYS A 60 13.852 -3.822 -4.966 1.00 0.00 N ATOM 803 CA CYS A 60 13.937 -2.493 -5.560 1.00 0.00 C ATOM 804 C CYS A 60 14.564 -1.501 -4.584 1.00 0.00 C ATOM 805 O CYS A 60 15.514 -0.796 -4.925 1.00 0.00 O ATOM 806 CB CYS A 60 12.548 -2.007 -5.976 1.00 0.00 C ATOM 807 SG CYS A 60 11.968 -2.684 -7.565 1.00 0.00 S ATOM 0 H CYS A 60 12.924 -4.243 -5.006 1.00 0.00 H new ATOM 0 HA CYS A 60 14.571 -2.557 -6.444 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.833 -2.273 -5.197 1.00 0.00 H new ATOM 0 HB3 CYS A 60 12.559 -0.919 -6.039 1.00 0.00 H new ATOM 0 HG CYS A 60 10.988 -3.512 -7.352 1.00 0.00 H new ATOM 812 N TYR A 61 14.026 -1.454 -3.371 1.00 0.00 N ATOM 813 CA TYR A 61 14.531 -0.548 -2.346 1.00 0.00 C ATOM 814 C TYR A 61 16.055 -0.577 -2.295 1.00 0.00 C ATOM 815 O TYR A 61 16.706 0.464 -2.200 1.00 0.00 O ATOM 816 CB TYR A 61 13.956 -0.920 -0.978 1.00 0.00 C ATOM 817 CG TYR A 61 14.538 -0.116 0.163 1.00 0.00 C ATOM 818 CD1 TYR A 61 14.059 1.154 0.458 1.00 0.00 C ATOM 819 CD2 TYR A 61 15.568 -0.625 0.943 1.00 0.00 C ATOM 820 CE1 TYR A 61 14.588 1.893 1.499 1.00 0.00 C ATOM 821 CE2 TYR A 61 16.102 0.106 1.987 1.00 0.00 C ATOM 822 CZ TYR A 61 15.609 1.364 2.261 1.00 0.00 C ATOM 823 OH TYR A 61 16.139 2.096 3.298 1.00 0.00 O ATOM 0 H TYR A 61 13.240 -2.032 -3.073 1.00 0.00 H new ATOM 0 HA TYR A 61 14.214 0.463 -2.603 1.00 0.00 H new ATOM 0 HB2 TYR A 61 12.875 -0.778 -0.997 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.136 -1.979 -0.794 1.00 0.00 H new ATOM 0 HD1 TYR A 61 13.259 1.571 -0.136 1.00 0.00 H new ATOM 0 HD2 TYR A 61 15.958 -1.609 0.730 1.00 0.00 H new ATOM 0 HE1 TYR A 61 14.204 2.879 1.715 1.00 0.00 H new ATOM 0 HE2 TYR A 61 16.901 -0.306 2.585 1.00 0.00 H new ATOM 0 HH TYR A 61 16.848 1.579 3.734 1.00 0.00 H new ATOM 833 N VAL A 62 16.620 -1.779 -2.359 1.00 0.00 N ATOM 834 CA VAL A 62 18.068 -1.947 -2.322 1.00 0.00 C ATOM 835 C VAL A 62 18.712 -1.445 -3.610 1.00 0.00 C ATOM 836 O VAL A 62 19.747 -0.780 -3.580 1.00 0.00 O ATOM 837 CB VAL A 62 18.457 -3.422 -2.108 1.00 0.00 C ATOM 838 CG1 VAL A 62 19.969 -3.582 -2.117 1.00 0.00 C ATOM 839 CG2 VAL A 62 17.865 -3.944 -0.807 1.00 0.00 C ATOM 0 H VAL A 62 16.096 -2.651 -2.437 1.00 0.00 H new ATOM 0 HA VAL A 62 18.434 -1.357 -1.482 1.00 0.00 H new ATOM 0 HB VAL A 62 18.049 -4.011 -2.929 1.00 0.00 H new ATOM 0 HG11 VAL A 62 20.225 -4.631 -1.964 1.00 0.00 H new ATOM 0 HG12 VAL A 62 20.365 -3.248 -3.076 1.00 0.00 H new ATOM 0 HG13 VAL A 62 20.403 -2.982 -1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 62 18.149 -4.987 -0.671 1.00 0.00 H new ATOM 0 HG22 VAL A 62 18.243 -3.353 0.027 1.00 0.00 H new ATOM 0 HG23 VAL A 62 16.778 -3.866 -0.844 1.00 0.00 H new ATOM 849 N ALA A 63 18.092 -1.769 -4.740 1.00 0.00 N ATOM 850 CA ALA A 63 18.604 -1.348 -6.039 1.00 0.00 C ATOM 851 C ALA A 63 18.807 0.162 -6.086 1.00 0.00 C ATOM 852 O ALA A 63 19.823 0.647 -6.586 1.00 0.00 O ATOM 853 CB ALA A 63 17.659 -1.791 -7.146 1.00 0.00 C ATOM 0 H ALA A 63 17.235 -2.321 -4.782 1.00 0.00 H new ATOM 0 HA ALA A 63 19.573 -1.823 -6.192 1.00 0.00 H new ATOM 0 HB1 ALA A 63 18.053 -1.470 -8.111 1.00 0.00 H new ATOM 0 HB2 ALA A 63 17.568 -2.877 -7.134 1.00 0.00 H new ATOM 0 HB3 ALA A 63 16.678 -1.343 -6.988 1.00 0.00 H new ATOM 859 N THR A 64 17.835 0.902 -5.563 1.00 0.00 N ATOM 860 CA THR A 64 17.906 2.358 -5.548 1.00 0.00 C ATOM 861 C THR A 64 19.102 2.841 -4.735 1.00 0.00 C ATOM 862 O THR A 64 19.720 3.855 -5.062 1.00 0.00 O ATOM 863 CB THR A 64 16.621 2.978 -4.967 1.00 0.00 C ATOM 864 OG1 THR A 64 16.452 2.568 -3.605 1.00 0.00 O ATOM 865 CG2 THR A 64 15.405 2.563 -5.781 1.00 0.00 C ATOM 0 H THR A 64 16.989 0.517 -5.144 1.00 0.00 H new ATOM 0 HA THR A 64 18.019 2.680 -6.583 1.00 0.00 H new ATOM 0 HB THR A 64 16.715 4.063 -5.011 1.00 0.00 H new ATOM 0 HG1 THR A 64 16.471 1.590 -3.553 1.00 0.00 H new ATOM 0 HG21 THR A 64 14.509 3.013 -5.352 1.00 0.00 H new ATOM 0 HG22 THR A 64 15.524 2.901 -6.810 1.00 0.00 H new ATOM 0 HG23 THR A 64 15.309 1.477 -5.765 1.00 0.00 H new ATOM 873 N LEU A 65 19.424 2.109 -3.674 1.00 0.00 N ATOM 874 CA LEU A 65 20.548 2.463 -2.814 1.00 0.00 C ATOM 875 C LEU A 65 21.871 2.317 -3.558 1.00 0.00 C ATOM 876 O LEU A 65 22.697 3.229 -3.561 1.00 0.00 O ATOM 877 CB LEU A 65 20.554 1.583 -1.562 1.00 0.00 C ATOM 878 CG LEU A 65 19.284 1.618 -0.711 1.00 0.00 C ATOM 879 CD1 LEU A 65 19.245 0.430 0.237 1.00 0.00 C ATOM 880 CD2 LEU A 65 19.197 2.925 0.064 1.00 0.00 C ATOM 0 H LEU A 65 18.923 1.267 -3.389 1.00 0.00 H new ATOM 0 HA LEU A 65 20.433 3.506 -2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 65 20.734 0.552 -1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 65 21.395 1.882 -0.936 1.00 0.00 H new ATOM 0 HG LEU A 65 18.422 1.555 -1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 65 18.334 0.471 0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 65 19.260 -0.495 -0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 65 20.113 0.461 0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 65 18.287 2.932 0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 65 20.064 3.018 0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 65 19.178 3.762 -0.634 1.00 0.00 H new ATOM 892 N GLU A 66 22.065 1.163 -4.190 1.00 0.00 N ATOM 893 CA GLU A 66 23.287 0.898 -4.939 1.00 0.00 C ATOM 894 C GLU A 66 23.363 1.778 -6.184 1.00 0.00 C ATOM 895 O GLU A 66 24.439 2.234 -6.570 1.00 0.00 O ATOM 896 CB GLU A 66 23.358 -0.577 -5.338 1.00 0.00 C ATOM 897 CG GLU A 66 22.190 -1.032 -6.196 1.00 0.00 C ATOM 898 CD GLU A 66 22.519 -2.255 -7.030 1.00 0.00 C ATOM 899 OE1 GLU A 66 22.663 -3.350 -6.445 1.00 0.00 O ATOM 900 OE2 GLU A 66 22.634 -2.119 -8.266 1.00 0.00 O ATOM 0 H GLU A 66 21.391 0.397 -4.198 1.00 0.00 H new ATOM 0 HA GLU A 66 24.135 1.133 -4.296 1.00 0.00 H new ATOM 0 HB2 GLU A 66 24.287 -0.754 -5.880 1.00 0.00 H new ATOM 0 HB3 GLU A 66 23.395 -1.187 -4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 66 21.337 -1.254 -5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 66 21.890 -0.218 -6.855 1.00 0.00 H new