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 -168:sc= -0.989 USER MOD Set 1.2: A 39 CYS SG : rot 170:sc= -1.08 USER MOD Set 1.3: A 57 CYS SG : rot -132:sc= 0.796 USER MOD Set 1.4: A 60 CYS SG : rot 98:sc= -1.29 USER MOD Set 2.1: A 37 SER OG : rot -140:sc= -0.434 USER MOD Set 2.2: A 56 TYR OH : rot 30:sc= 1.04 USER MOD Set 3.1: A 8 CYS SG : rot 161:sc= 1.44 USER MOD Set 3.2: A 11 CYS SG : rot -44:sc= 0.685 USER MOD Set 3.3: A 30 HIS : no HE2:sc= -2! C(o=-0.56!,f=-4.9!) USER MOD Set 3.4: A 33 CYS SG : rot 180:sc= -0.684 USER MOD Single : A 38 THR OG1 : rot 81:sc= 0.0239 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -2.69 X(o=-2.7,f=-3!) USER MOD Single : A 47 HIS : no HE2:sc= -3.84! C(o=-3.8!,f=-6.8!) 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 -46:sc= 1 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -12.472 2.836 0.842 1.00 0.00 N ATOM 60 CA GLY A 7 -12.070 3.040 -0.537 1.00 0.00 C ATOM 61 C GLY A 7 -10.666 2.537 -0.812 1.00 0.00 C ATOM 62 O GLY A 7 -9.878 2.336 0.113 1.00 0.00 O ATOM 0 HA2 GLY A 7 -12.771 2.529 -1.196 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.125 4.102 -0.775 1.00 0.00 H new ATOM 66 N CYS A 8 -10.352 2.332 -2.087 1.00 0.00 N ATOM 67 CA CYS A 8 -9.035 1.848 -2.482 1.00 0.00 C ATOM 68 C CYS A 8 -8.182 2.984 -3.041 1.00 0.00 C ATOM 69 O CYS A 8 -8.454 3.504 -4.122 1.00 0.00 O ATOM 70 CB CYS A 8 -9.169 0.736 -3.524 1.00 0.00 C ATOM 71 SG CYS A 8 -7.579 0.033 -4.070 1.00 0.00 S ATOM 0 H CYS A 8 -10.992 2.494 -2.864 1.00 0.00 H new ATOM 0 HA CYS A 8 -8.541 1.449 -1.596 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.784 -0.063 -3.110 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -9.698 1.128 -4.393 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.783 -1.129 -4.616 1.00 0.00 H new ATOM 76 N GLY A 9 -7.149 3.364 -2.295 1.00 0.00 N ATOM 77 CA GLY A 9 -6.273 4.435 -2.732 1.00 0.00 C ATOM 78 C GLY A 9 -5.639 4.152 -4.079 1.00 0.00 C ATOM 79 O GLY A 9 -5.300 5.074 -4.820 1.00 0.00 O ATOM 0 H GLY A 9 -6.903 2.949 -1.396 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.840 5.364 -2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.489 4.585 -1.989 1.00 0.00 H new ATOM 83 N GLY A 10 -5.477 2.871 -4.399 1.00 0.00 N ATOM 84 CA GLY A 10 -4.878 2.493 -5.665 1.00 0.00 C ATOM 85 C GLY A 10 -5.788 2.776 -6.844 1.00 0.00 C ATOM 86 O GLY A 10 -5.556 3.716 -7.605 1.00 0.00 O ATOM 0 H GLY A 10 -5.750 2.089 -3.804 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.940 3.033 -5.796 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.634 1.431 -5.645 1.00 0.00 H new ATOM 90 N CYS A 11 -6.825 1.959 -6.998 1.00 0.00 N ATOM 91 CA CYS A 11 -7.772 2.124 -8.094 1.00 0.00 C ATOM 92 C CYS A 11 -8.897 3.079 -7.702 1.00 0.00 C ATOM 93 O CYS A 11 -9.244 3.988 -8.455 1.00 0.00 O ATOM 94 CB CYS A 11 -8.356 0.769 -8.499 1.00 0.00 C ATOM 95 SG CYS A 11 -9.264 -0.078 -7.166 1.00 0.00 S ATOM 0 H CYS A 11 -7.031 1.176 -6.377 1.00 0.00 H new ATOM 0 HA CYS A 11 -7.237 2.550 -8.943 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -9.027 0.913 -9.346 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -7.546 0.124 -8.840 1.00 0.00 H new ATOM 0 HG CYS A 11 -8.585 0.002 -6.060 1.00 0.00 H new ATOM 100 N GLY A 12 -9.462 2.864 -6.518 1.00 0.00 N ATOM 101 CA GLY A 12 -10.541 3.712 -6.046 1.00 0.00 C ATOM 102 C GLY A 12 -11.745 2.916 -5.585 1.00 0.00 C ATOM 103 O GLY A 12 -12.451 3.325 -4.664 1.00 0.00 O ATOM 0 H GLY A 12 -9.192 2.118 -5.877 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.180 4.329 -5.223 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.842 4.390 -6.845 1.00 0.00 H new ATOM 107 N GLU A 13 -11.981 1.777 -6.228 1.00 0.00 N ATOM 108 CA GLU A 13 -13.110 0.923 -5.878 1.00 0.00 C ATOM 109 C GLU A 13 -13.111 0.605 -4.386 1.00 0.00 C ATOM 110 O GLU A 13 -12.068 0.639 -3.732 1.00 0.00 O ATOM 111 CB GLU A 13 -13.067 -0.375 -6.687 1.00 0.00 C ATOM 112 CG GLU A 13 -13.620 -0.234 -8.095 1.00 0.00 C ATOM 113 CD GLU A 13 -15.114 -0.487 -8.162 1.00 0.00 C ATOM 114 OE1 GLU A 13 -15.882 0.358 -7.656 1.00 0.00 O ATOM 115 OE2 GLU A 13 -15.516 -1.529 -8.720 1.00 0.00 O ATOM 0 H GLU A 13 -11.406 1.424 -6.993 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.027 1.462 -6.117 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.036 -0.723 -6.744 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.634 -1.141 -6.158 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.408 0.769 -8.466 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.107 -0.933 -8.755 1.00 0.00 H new ATOM 122 N ASP A 14 -14.289 0.298 -3.853 1.00 0.00 N ATOM 123 CA ASP A 14 -14.427 -0.027 -2.438 1.00 0.00 C ATOM 124 C ASP A 14 -13.651 -1.294 -2.093 1.00 0.00 C ATOM 125 O ASP A 14 -13.691 -2.279 -2.830 1.00 0.00 O ATOM 126 CB ASP A 14 -15.902 -0.201 -2.075 1.00 0.00 C ATOM 127 CG ASP A 14 -16.708 1.063 -2.300 1.00 0.00 C ATOM 128 OD1 ASP A 14 -16.306 1.878 -3.156 1.00 0.00 O ATOM 129 OD2 ASP A 14 -17.740 1.237 -1.620 1.00 0.00 O ATOM 0 H ASP A 14 -15.162 0.267 -4.380 1.00 0.00 H new ATOM 0 HA ASP A 14 -14.014 0.798 -1.858 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -16.326 -1.010 -2.670 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.983 -0.498 -1.030 1.00 0.00 H new ATOM 134 N VAL A 15 -12.945 -1.262 -0.968 1.00 0.00 N ATOM 135 CA VAL A 15 -12.160 -2.408 -0.524 1.00 0.00 C ATOM 136 C VAL A 15 -12.931 -3.243 0.491 1.00 0.00 C ATOM 137 O VAL A 15 -13.030 -2.879 1.663 1.00 0.00 O ATOM 138 CB VAL A 15 -10.824 -1.965 0.101 1.00 0.00 C ATOM 139 CG1 VAL A 15 -10.058 -3.167 0.633 1.00 0.00 C ATOM 140 CG2 VAL A 15 -9.990 -1.197 -0.914 1.00 0.00 C ATOM 0 H VAL A 15 -12.900 -0.454 -0.347 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.956 -3.013 -1.408 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.037 -1.301 0.939 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.117 -2.834 1.071 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.654 -3.671 1.394 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.853 -3.859 -0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.049 -0.892 -0.456 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.784 -1.835 -1.773 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.538 -0.313 -1.241 1.00 0.00 H new ATOM 202 N GLY A 21 -8.113 -6.232 1.359 1.00 0.00 N ATOM 203 CA GLY A 21 -7.840 -4.987 2.053 1.00 0.00 C ATOM 204 C GLY A 21 -6.472 -4.976 2.707 1.00 0.00 C ATOM 205 O GLY A 21 -6.203 -5.765 3.612 1.00 0.00 O ATOM 0 HA2 GLY A 21 -7.909 -4.159 1.348 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.604 -4.823 2.813 1.00 0.00 H new ATOM 209 N VAL A 22 -5.605 -4.079 2.247 1.00 0.00 N ATOM 210 CA VAL A 22 -4.258 -3.968 2.794 1.00 0.00 C ATOM 211 C VAL A 22 -3.974 -2.550 3.274 1.00 0.00 C ATOM 212 O VAL A 22 -3.767 -1.640 2.471 1.00 0.00 O ATOM 213 CB VAL A 22 -3.196 -4.368 1.752 1.00 0.00 C ATOM 214 CG1 VAL A 22 -1.796 -4.155 2.309 1.00 0.00 C ATOM 215 CG2 VAL A 22 -3.392 -5.813 1.319 1.00 0.00 C ATOM 0 H VAL A 22 -5.812 -3.419 1.497 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.203 -4.652 3.641 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.314 -3.731 0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.059 -4.443 1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.662 -3.104 2.565 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.663 -4.766 3.202 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.633 -6.078 0.583 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.302 -6.468 2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.382 -5.930 0.878 1.00 0.00 H new ATOM 225 N VAL A 23 -3.967 -2.367 4.591 1.00 0.00 N ATOM 226 CA VAL A 23 -3.707 -1.059 5.180 1.00 0.00 C ATOM 227 C VAL A 23 -2.217 -0.739 5.173 1.00 0.00 C ATOM 228 O VAL A 23 -1.417 -1.446 5.786 1.00 0.00 O ATOM 229 CB VAL A 23 -4.231 -0.980 6.626 1.00 0.00 C ATOM 230 CG1 VAL A 23 -3.885 0.364 7.248 1.00 0.00 C ATOM 231 CG2 VAL A 23 -5.732 -1.223 6.662 1.00 0.00 C ATOM 0 H VAL A 23 -4.139 -3.109 5.270 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.236 -0.327 4.569 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.745 -1.760 7.213 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.264 0.400 8.269 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.803 0.493 7.257 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.340 1.163 6.664 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.086 -1.164 7.691 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.237 -0.467 6.060 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.950 -2.212 6.260 1.00 0.00 H new ATOM 241 N ALA A 24 -1.850 0.331 4.475 1.00 0.00 N ATOM 242 CA ALA A 24 -0.455 0.746 4.390 1.00 0.00 C ATOM 243 C ALA A 24 -0.343 2.247 4.146 1.00 0.00 C ATOM 244 O ALA A 24 -0.934 2.779 3.205 1.00 0.00 O ATOM 245 CB ALA A 24 0.259 -0.025 3.290 1.00 0.00 C ATOM 0 H ALA A 24 -2.499 0.926 3.960 1.00 0.00 H new ATOM 0 HA ALA A 24 0.024 0.523 5.344 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.300 0.295 3.238 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.218 -1.092 3.508 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.228 0.169 2.335 1.00 0.00 H new ATOM 251 N LEU A 25 0.417 2.925 4.999 1.00 0.00 N ATOM 252 CA LEU A 25 0.606 4.367 4.876 1.00 0.00 C ATOM 253 C LEU A 25 -0.705 5.110 5.111 1.00 0.00 C ATOM 254 O LEU A 25 -1.013 6.081 4.419 1.00 0.00 O ATOM 255 CB LEU A 25 1.160 4.712 3.493 1.00 0.00 C ATOM 256 CG LEU A 25 2.421 3.958 3.067 1.00 0.00 C ATOM 257 CD1 LEU A 25 2.568 3.976 1.554 1.00 0.00 C ATOM 258 CD2 LEU A 25 3.651 4.558 3.732 1.00 0.00 C ATOM 0 H LEU A 25 0.912 2.500 5.783 1.00 0.00 H new ATOM 0 HA LEU A 25 1.321 4.681 5.636 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.381 4.523 2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.373 5.781 3.465 1.00 0.00 H new ATOM 0 HG LEU A 25 2.328 2.921 3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.470 3.435 1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.700 3.499 1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.639 5.007 1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.539 4.009 3.418 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.749 5.604 3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.548 4.491 4.815 1.00 0.00 H new ATOM 270 N ASP A 26 -1.473 4.648 6.092 1.00 0.00 N ATOM 271 CA ASP A 26 -2.750 5.271 6.421 1.00 0.00 C ATOM 272 C ASP A 26 -3.693 5.243 5.222 1.00 0.00 C ATOM 273 O ASP A 26 -4.512 6.146 5.042 1.00 0.00 O ATOM 274 CB ASP A 26 -2.535 6.713 6.883 1.00 0.00 C ATOM 275 CG ASP A 26 -2.332 6.816 8.382 1.00 0.00 C ATOM 276 OD1 ASP A 26 -3.310 6.602 9.129 1.00 0.00 O ATOM 277 OD2 ASP A 26 -1.196 7.111 8.807 1.00 0.00 O ATOM 0 H ASP A 26 -1.234 3.845 6.673 1.00 0.00 H new ATOM 0 HA ASP A 26 -3.205 4.702 7.232 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.667 7.130 6.372 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.395 7.316 6.593 1.00 0.00 H new ATOM 282 N ARG A 27 -3.571 4.203 4.403 1.00 0.00 N ATOM 283 CA ARG A 27 -4.411 4.060 3.220 1.00 0.00 C ATOM 284 C ARG A 27 -4.850 2.610 3.038 1.00 0.00 C ATOM 285 O ARG A 27 -4.435 1.726 3.787 1.00 0.00 O ATOM 286 CB ARG A 27 -3.661 4.537 1.975 1.00 0.00 C ATOM 287 CG ARG A 27 -3.780 6.033 1.729 1.00 0.00 C ATOM 288 CD ARG A 27 -4.974 6.358 0.844 1.00 0.00 C ATOM 289 NE ARG A 27 -5.021 7.773 0.487 1.00 0.00 N ATOM 290 CZ ARG A 27 -4.162 8.350 -0.345 1.00 0.00 C ATOM 291 NH1 ARG A 27 -3.194 7.637 -0.904 1.00 0.00 N ATOM 292 NH2 ARG A 27 -4.271 9.644 -0.621 1.00 0.00 N ATOM 0 H ARG A 27 -2.899 3.448 4.537 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.299 4.676 3.359 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.607 4.276 2.074 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.042 4.003 1.105 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.880 6.553 2.682 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.867 6.400 1.260 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.927 5.756 -0.064 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.894 6.084 1.361 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.754 8.350 0.899 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.108 6.642 -0.695 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.536 8.083 -1.543 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.015 10.196 -0.194 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.611 10.087 -1.260 1.00 0.00 H new ATOM 306 N VAL A 28 -5.692 2.373 2.037 1.00 0.00 N ATOM 307 CA VAL A 28 -6.187 1.031 1.755 1.00 0.00 C ATOM 308 C VAL A 28 -6.026 0.685 0.279 1.00 0.00 C ATOM 309 O VAL A 28 -6.501 1.410 -0.595 1.00 0.00 O ATOM 310 CB VAL A 28 -7.669 0.886 2.146 1.00 0.00 C ATOM 311 CG1 VAL A 28 -8.181 -0.503 1.796 1.00 0.00 C ATOM 312 CG2 VAL A 28 -7.860 1.176 3.628 1.00 0.00 C ATOM 0 H VAL A 28 -6.046 3.094 1.408 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.592 0.342 2.354 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.249 1.614 1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.230 -0.586 2.080 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.081 -0.668 0.723 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.599 -1.251 2.334 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.913 1.069 3.887 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.269 0.474 4.215 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.535 2.194 3.844 1.00 0.00 H new ATOM 322 N PHE A 29 -5.354 -0.429 0.008 1.00 0.00 N ATOM 323 CA PHE A 29 -5.129 -0.873 -1.363 1.00 0.00 C ATOM 324 C PHE A 29 -5.460 -2.354 -1.516 1.00 0.00 C ATOM 325 O PHE A 29 -5.125 -3.169 -0.655 1.00 0.00 O ATOM 326 CB PHE A 29 -3.678 -0.617 -1.773 1.00 0.00 C ATOM 327 CG PHE A 29 -3.212 0.783 -1.491 1.00 0.00 C ATOM 328 CD1 PHE A 29 -2.743 1.132 -0.235 1.00 0.00 C ATOM 329 CD2 PHE A 29 -3.244 1.750 -2.483 1.00 0.00 C ATOM 330 CE1 PHE A 29 -2.316 2.420 0.027 1.00 0.00 C ATOM 331 CE2 PHE A 29 -2.817 3.039 -2.227 1.00 0.00 C ATOM 332 CZ PHE A 29 -2.351 3.374 -0.971 1.00 0.00 C ATOM 0 H PHE A 29 -4.956 -1.041 0.720 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.789 -0.302 -2.016 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.031 -1.319 -1.247 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.569 -0.820 -2.838 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.711 0.389 0.548 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.607 1.493 -3.467 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.955 2.680 1.011 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.848 3.784 -3.009 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.015 4.380 -0.769 1.00 0.00 H new ATOM 342 N HIS A 30 -6.120 -2.696 -2.618 1.00 0.00 N ATOM 343 CA HIS A 30 -6.497 -4.080 -2.885 1.00 0.00 C ATOM 344 C HIS A 30 -5.267 -4.983 -2.906 1.00 0.00 C ATOM 345 O HIS A 30 -4.220 -4.612 -3.437 1.00 0.00 O ATOM 346 CB HIS A 30 -7.241 -4.180 -4.217 1.00 0.00 C ATOM 347 CG HIS A 30 -8.619 -3.595 -4.179 1.00 0.00 C ATOM 348 ND1 HIS A 30 -9.104 -2.749 -5.154 1.00 0.00 N ATOM 349 CD2 HIS A 30 -9.617 -3.739 -3.277 1.00 0.00 C ATOM 350 CE1 HIS A 30 -10.341 -2.397 -4.852 1.00 0.00 C ATOM 351 NE2 HIS A 30 -10.676 -2.985 -3.717 1.00 0.00 N ATOM 0 H HIS A 30 -6.405 -2.034 -3.340 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.157 -4.413 -2.084 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -6.661 -3.672 -4.987 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.308 -5.228 -4.508 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -8.588 -2.443 -5.979 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -9.586 -4.336 -2.378 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -10.971 -1.740 -5.434 1.00 0.00 H new ATOM 359 N VAL A 31 -5.402 -6.171 -2.326 1.00 0.00 N ATOM 360 CA VAL A 31 -4.302 -7.128 -2.278 1.00 0.00 C ATOM 361 C VAL A 31 -3.501 -7.109 -3.575 1.00 0.00 C ATOM 362 O VAL A 31 -2.285 -7.292 -3.568 1.00 0.00 O ATOM 363 CB VAL A 31 -4.814 -8.558 -2.024 1.00 0.00 C ATOM 364 CG1 VAL A 31 -5.508 -8.646 -0.674 1.00 0.00 C ATOM 365 CG2 VAL A 31 -5.747 -8.996 -3.143 1.00 0.00 C ATOM 0 H VAL A 31 -6.262 -6.494 -1.883 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.657 -6.829 -1.452 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.959 -9.234 -2.009 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.863 -9.664 -0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.805 -8.378 0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.354 -7.960 -0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.099 -10.009 -2.947 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.599 -8.318 -3.192 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.212 -8.975 -4.092 1.00 0.00 H new ATOM 375 N GLY A 32 -4.193 -6.885 -4.689 1.00 0.00 N ATOM 376 CA GLY A 32 -3.529 -6.846 -5.979 1.00 0.00 C ATOM 377 C GLY A 32 -2.929 -5.487 -6.281 1.00 0.00 C ATOM 378 O GLY A 32 -1.776 -5.389 -6.703 1.00 0.00 O ATOM 0 H GLY A 32 -5.201 -6.730 -4.721 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.743 -7.600 -6.002 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.243 -7.106 -6.760 1.00 0.00 H new ATOM 382 N CYS A 33 -3.711 -4.435 -6.065 1.00 0.00 N ATOM 383 CA CYS A 33 -3.252 -3.075 -6.319 1.00 0.00 C ATOM 384 C CYS A 33 -1.945 -2.796 -5.581 1.00 0.00 C ATOM 385 O CYS A 33 -0.958 -2.372 -6.182 1.00 0.00 O ATOM 386 CB CYS A 33 -4.318 -2.066 -5.890 1.00 0.00 C ATOM 387 SG CYS A 33 -5.792 -2.041 -6.961 1.00 0.00 S ATOM 0 H CYS A 33 -4.667 -4.498 -5.714 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.074 -2.972 -7.389 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.627 -2.292 -4.870 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.875 -1.070 -5.876 1.00 0.00 H new ATOM 0 HG CYS A 33 -6.637 -1.160 -6.515 1.00 0.00 H new ATOM 392 N PHE A 34 -1.948 -3.036 -4.274 1.00 0.00 N ATOM 393 CA PHE A 34 -0.764 -2.810 -3.453 1.00 0.00 C ATOM 394 C PHE A 34 0.450 -3.526 -4.040 1.00 0.00 C ATOM 395 O PHE A 34 0.593 -4.741 -3.904 1.00 0.00 O ATOM 396 CB PHE A 34 -1.010 -3.291 -2.021 1.00 0.00 C ATOM 397 CG PHE A 34 -0.020 -2.753 -1.029 1.00 0.00 C ATOM 398 CD1 PHE A 34 0.099 -1.388 -0.819 1.00 0.00 C ATOM 399 CD2 PHE A 34 0.794 -3.611 -0.307 1.00 0.00 C ATOM 400 CE1 PHE A 34 1.009 -0.889 0.094 1.00 0.00 C ATOM 401 CE2 PHE A 34 1.706 -3.118 0.607 1.00 0.00 C ATOM 402 CZ PHE A 34 1.815 -1.756 0.807 1.00 0.00 C ATOM 0 H PHE A 34 -2.757 -3.387 -3.761 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.561 -1.739 -3.440 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.014 -2.998 -1.715 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.976 -4.380 -2.001 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.527 -0.706 -1.375 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.715 -4.677 -0.460 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.090 0.177 0.250 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.333 -3.798 1.165 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.529 -1.369 1.519 1.00 0.00 H new ATOM 412 N VAL A 35 1.320 -2.763 -4.693 1.00 0.00 N ATOM 413 CA VAL A 35 2.522 -3.323 -5.300 1.00 0.00 C ATOM 414 C VAL A 35 3.647 -2.295 -5.342 1.00 0.00 C ATOM 415 O VAL A 35 3.421 -1.102 -5.136 1.00 0.00 O ATOM 416 CB VAL A 35 2.247 -3.824 -6.730 1.00 0.00 C ATOM 417 CG1 VAL A 35 1.113 -4.838 -6.732 1.00 0.00 C ATOM 418 CG2 VAL A 35 1.930 -2.657 -7.652 1.00 0.00 C ATOM 0 H VAL A 35 1.215 -1.756 -4.815 1.00 0.00 H new ATOM 0 HA VAL A 35 2.826 -4.166 -4.679 1.00 0.00 H new ATOM 0 HB VAL A 35 3.145 -4.318 -7.102 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.933 -5.181 -7.751 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.384 -5.688 -6.106 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.208 -4.373 -6.341 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.738 -3.030 -8.658 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.048 -2.133 -7.285 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.777 -1.971 -7.674 1.00 0.00 H new ATOM 428 N CYS A 36 4.861 -2.764 -5.610 1.00 0.00 N ATOM 429 CA CYS A 36 6.023 -1.887 -5.679 1.00 0.00 C ATOM 430 C CYS A 36 5.764 -0.714 -6.621 1.00 0.00 C ATOM 431 O CYS A 36 4.804 -0.724 -7.392 1.00 0.00 O ATOM 432 CB CYS A 36 7.252 -2.669 -6.146 1.00 0.00 C ATOM 433 SG CYS A 36 8.818 -1.750 -6.000 1.00 0.00 S ATOM 0 H CYS A 36 5.065 -3.748 -5.783 1.00 0.00 H new ATOM 0 HA CYS A 36 6.210 -1.494 -4.680 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.327 -3.588 -5.565 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.110 -2.961 -7.187 1.00 0.00 H new ATOM 0 HG CYS A 36 9.752 -2.379 -6.649 1.00 0.00 H new ATOM 438 N SER A 37 6.627 0.294 -6.554 1.00 0.00 N ATOM 439 CA SER A 37 6.491 1.475 -7.398 1.00 0.00 C ATOM 440 C SER A 37 7.366 1.358 -8.642 1.00 0.00 C ATOM 441 O SER A 37 7.100 1.989 -9.665 1.00 0.00 O ATOM 442 CB SER A 37 6.865 2.734 -6.613 1.00 0.00 C ATOM 443 OG SER A 37 7.116 3.822 -7.485 1.00 0.00 O ATOM 0 H SER A 37 7.428 0.317 -5.924 1.00 0.00 H new ATOM 0 HA SER A 37 5.450 1.548 -7.714 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.058 2.992 -5.927 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.749 2.539 -6.006 1.00 0.00 H new ATOM 0 HG SER A 37 7.883 4.335 -7.155 1.00 0.00 H new ATOM 449 N THR A 38 8.414 0.546 -8.546 1.00 0.00 N ATOM 450 CA THR A 38 9.331 0.346 -9.661 1.00 0.00 C ATOM 451 C THR A 38 8.991 -0.925 -10.431 1.00 0.00 C ATOM 452 O THR A 38 8.513 -0.869 -11.564 1.00 0.00 O ATOM 453 CB THR A 38 10.792 0.267 -9.180 1.00 0.00 C ATOM 454 OG1 THR A 38 11.170 1.499 -8.557 1.00 0.00 O ATOM 455 CG2 THR A 38 11.729 -0.028 -10.342 1.00 0.00 C ATOM 0 H THR A 38 8.649 0.016 -7.707 1.00 0.00 H new ATOM 0 HA THR A 38 9.220 1.207 -10.320 1.00 0.00 H new ATOM 0 HB THR A 38 10.870 -0.544 -8.456 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.845 1.511 -7.632 1.00 0.00 H new ATOM 0 HG21 THR A 38 12.755 -0.079 -9.978 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.457 -0.981 -10.796 1.00 0.00 H new ATOM 0 HG23 THR A 38 11.647 0.765 -11.086 1.00 0.00 H new ATOM 463 N CYS A 39 9.241 -2.073 -9.808 1.00 0.00 N ATOM 464 CA CYS A 39 8.962 -3.359 -10.434 1.00 0.00 C ATOM 465 C CYS A 39 7.476 -3.697 -10.345 1.00 0.00 C ATOM 466 O CYS A 39 6.988 -4.586 -11.042 1.00 0.00 O ATOM 467 CB CYS A 39 9.788 -4.463 -9.770 1.00 0.00 C ATOM 468 SG CYS A 39 9.156 -4.988 -8.144 1.00 0.00 S ATOM 0 H CYS A 39 9.636 -2.138 -8.870 1.00 0.00 H new ATOM 0 HA CYS A 39 9.238 -3.290 -11.486 1.00 0.00 H new ATOM 0 HB2 CYS A 39 9.818 -5.328 -10.433 1.00 0.00 H new ATOM 0 HB3 CYS A 39 10.814 -4.114 -9.654 1.00 0.00 H new ATOM 0 HG CYS A 39 9.784 -6.060 -7.760 1.00 0.00 H new ATOM 473 N ARG A 40 6.763 -2.980 -9.482 1.00 0.00 N ATOM 474 CA ARG A 40 5.334 -3.204 -9.300 1.00 0.00 C ATOM 475 C ARG A 40 5.051 -4.665 -8.963 1.00 0.00 C ATOM 476 O ARG A 40 4.147 -5.278 -9.529 1.00 0.00 O ATOM 477 CB ARG A 40 4.569 -2.803 -10.563 1.00 0.00 C ATOM 478 CG ARG A 40 4.282 -1.313 -10.654 1.00 0.00 C ATOM 479 CD ARG A 40 5.534 -0.524 -11.000 1.00 0.00 C ATOM 480 NE ARG A 40 5.227 0.686 -11.759 1.00 0.00 N ATOM 481 CZ ARG A 40 4.621 1.746 -11.237 1.00 0.00 C ATOM 482 NH1 ARG A 40 4.259 1.746 -9.961 1.00 0.00 N ATOM 483 NH2 ARG A 40 4.375 2.810 -11.991 1.00 0.00 N ATOM 0 H ARG A 40 7.152 -2.239 -8.898 1.00 0.00 H new ATOM 0 HA ARG A 40 4.998 -2.586 -8.468 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.144 -3.108 -11.438 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.626 -3.349 -10.595 1.00 0.00 H new ATOM 0 HG2 ARG A 40 3.518 -1.134 -11.410 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.879 -0.960 -9.704 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.057 -0.253 -10.083 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.210 -1.153 -11.579 1.00 0.00 H new ATOM 0 HE ARG A 40 5.493 0.718 -12.743 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.446 0.930 -9.378 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.794 2.562 -9.563 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.651 2.814 -12.973 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.909 3.624 -11.589 1.00 0.00 H new ATOM 497 N ALA A 41 5.831 -5.215 -8.038 1.00 0.00 N ATOM 498 CA ALA A 41 5.663 -6.603 -7.625 1.00 0.00 C ATOM 499 C ALA A 41 4.573 -6.732 -6.566 1.00 0.00 C ATOM 500 O ALA A 41 4.265 -5.772 -5.860 1.00 0.00 O ATOM 501 CB ALA A 41 6.978 -7.160 -7.103 1.00 0.00 C ATOM 0 H ALA A 41 6.585 -4.721 -7.561 1.00 0.00 H new ATOM 0 HA ALA A 41 5.356 -7.182 -8.496 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.838 -8.197 -6.798 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.731 -7.111 -7.889 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.308 -6.571 -6.247 1.00 0.00 H new ATOM 507 N GLN A 42 3.994 -7.923 -6.462 1.00 0.00 N ATOM 508 CA GLN A 42 2.937 -8.177 -5.490 1.00 0.00 C ATOM 509 C GLN A 42 3.470 -8.064 -4.065 1.00 0.00 C ATOM 510 O GLN A 42 4.298 -8.869 -3.636 1.00 0.00 O ATOM 511 CB GLN A 42 2.332 -9.563 -5.712 1.00 0.00 C ATOM 512 CG GLN A 42 1.159 -9.567 -6.680 1.00 0.00 C ATOM 513 CD GLN A 42 0.158 -10.665 -6.380 1.00 0.00 C ATOM 514 OE1 GLN A 42 0.291 -11.791 -6.861 1.00 0.00 O ATOM 515 NE2 GLN A 42 -0.852 -10.343 -5.581 1.00 0.00 N ATOM 0 H GLN A 42 4.239 -8.728 -7.039 1.00 0.00 H new ATOM 0 HA GLN A 42 2.161 -7.424 -5.630 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.106 -10.232 -6.089 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.003 -9.964 -4.754 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.656 -8.601 -6.639 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.532 -9.689 -7.697 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.923 -9.398 -5.205 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.557 -11.041 -5.343 1.00 0.00 H new ATOM 524 N LEU A 43 2.991 -7.062 -3.337 1.00 0.00 N ATOM 525 CA LEU A 43 3.420 -6.844 -1.960 1.00 0.00 C ATOM 526 C LEU A 43 2.294 -7.164 -0.982 1.00 0.00 C ATOM 527 O LEU A 43 2.338 -6.767 0.183 1.00 0.00 O ATOM 528 CB LEU A 43 3.879 -5.397 -1.771 1.00 0.00 C ATOM 529 CG LEU A 43 4.883 -4.871 -2.796 1.00 0.00 C ATOM 530 CD1 LEU A 43 5.074 -3.371 -2.637 1.00 0.00 C ATOM 531 CD2 LEU A 43 6.214 -5.597 -2.660 1.00 0.00 C ATOM 0 H LEU A 43 2.305 -6.388 -3.677 1.00 0.00 H new ATOM 0 HA LEU A 43 4.256 -7.513 -1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.000 -4.753 -1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.321 -5.304 -0.779 1.00 0.00 H new ATOM 0 HG LEU A 43 4.487 -5.062 -3.794 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.792 -3.015 -3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.120 -2.865 -2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.447 -3.156 -1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.917 -5.210 -3.398 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.614 -5.438 -1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.065 -6.664 -2.826 1.00 0.00 H new ATOM 543 N ARG A 44 1.288 -7.887 -1.462 1.00 0.00 N ATOM 544 CA ARG A 44 0.151 -8.262 -0.630 1.00 0.00 C ATOM 545 C ARG A 44 0.605 -8.619 0.782 1.00 0.00 C ATOM 546 O ARG A 44 0.303 -7.909 1.740 1.00 0.00 O ATOM 547 CB ARG A 44 -0.595 -9.445 -1.252 1.00 0.00 C ATOM 548 CG ARG A 44 -1.722 -9.978 -0.383 1.00 0.00 C ATOM 549 CD ARG A 44 -2.130 -11.382 -0.800 1.00 0.00 C ATOM 550 NE ARG A 44 -3.409 -11.777 -0.216 1.00 0.00 N ATOM 551 CZ ARG A 44 -4.003 -12.939 -0.464 1.00 0.00 C ATOM 552 NH1 ARG A 44 -3.437 -13.816 -1.281 1.00 0.00 N ATOM 553 NH2 ARG A 44 -5.167 -13.225 0.106 1.00 0.00 N ATOM 0 H ARG A 44 1.237 -8.225 -2.423 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.522 -7.407 -0.571 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.003 -9.140 -2.216 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.114 -10.249 -1.446 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.407 -9.984 0.660 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.582 -9.312 -0.452 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.197 -11.432 -1.887 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.359 -12.089 -0.495 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.872 -11.125 0.417 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.543 -13.600 -1.721 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.896 -14.707 -1.469 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.606 -12.552 0.735 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.623 -14.117 -0.085 1.00 0.00 H new ATOM 567 N GLY A 45 1.334 -9.725 0.903 1.00 0.00 N ATOM 568 CA GLY A 45 1.817 -10.157 2.201 1.00 0.00 C ATOM 569 C GLY A 45 3.316 -10.386 2.215 1.00 0.00 C ATOM 570 O GLY A 45 3.777 -11.517 2.065 1.00 0.00 O ATOM 0 H GLY A 45 1.598 -10.329 0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.560 -9.407 2.949 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.309 -11.078 2.486 1.00 0.00 H new ATOM 574 N GLN A 46 4.076 -9.311 2.393 1.00 0.00 N ATOM 575 CA GLN A 46 5.531 -9.401 2.423 1.00 0.00 C ATOM 576 C GLN A 46 6.146 -8.103 2.934 1.00 0.00 C ATOM 577 O GLN A 46 5.439 -7.128 3.192 1.00 0.00 O ATOM 578 CB GLN A 46 6.072 -9.721 1.028 1.00 0.00 C ATOM 579 CG GLN A 46 6.001 -8.548 0.064 1.00 0.00 C ATOM 580 CD GLN A 46 6.477 -8.908 -1.330 1.00 0.00 C ATOM 581 OE1 GLN A 46 5.927 -9.802 -1.974 1.00 0.00 O ATOM 582 NE2 GLN A 46 7.504 -8.212 -1.803 1.00 0.00 N ATOM 0 H GLN A 46 3.709 -8.368 2.519 1.00 0.00 H new ATOM 0 HA GLN A 46 5.806 -10.205 3.105 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.109 -10.046 1.115 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.509 -10.557 0.612 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.974 -8.188 0.011 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.607 -7.728 0.450 1.00 0.00 H new ATOM 0 HE21 GLN A 46 7.929 -7.480 -1.234 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.868 -8.410 -2.735 1.00 0.00 H new ATOM 591 N HIS A 47 7.468 -8.096 3.078 1.00 0.00 N ATOM 592 CA HIS A 47 8.179 -6.917 3.559 1.00 0.00 C ATOM 593 C HIS A 47 8.419 -5.927 2.423 1.00 0.00 C ATOM 594 O HIS A 47 8.734 -6.320 1.299 1.00 0.00 O ATOM 595 CB HIS A 47 9.511 -7.321 4.190 1.00 0.00 C ATOM 596 CG HIS A 47 10.487 -7.899 3.211 1.00 0.00 C ATOM 597 ND1 HIS A 47 10.322 -9.137 2.627 1.00 0.00 N ATOM 598 CD2 HIS A 47 11.643 -7.400 2.714 1.00 0.00 C ATOM 599 CE1 HIS A 47 11.335 -9.376 1.813 1.00 0.00 C ATOM 600 NE2 HIS A 47 12.150 -8.337 1.848 1.00 0.00 N ATOM 0 H HIS A 47 8.068 -8.894 2.868 1.00 0.00 H new ATOM 0 HA HIS A 47 7.561 -6.433 4.315 1.00 0.00 H new ATOM 0 HB2 HIS A 47 9.959 -6.448 4.664 1.00 0.00 H new ATOM 0 HB3 HIS A 47 9.324 -8.051 4.978 1.00 0.00 H new ATOM 0 HD1 HIS A 47 9.540 -9.770 2.797 1.00 0.00 H new ATOM 0 HD2 HIS A 47 12.084 -6.444 2.954 1.00 0.00 H new ATOM 0 HE1 HIS A 47 11.473 -10.268 1.220 1.00 0.00 H new ATOM 609 N PHE A 48 8.268 -4.641 2.723 1.00 0.00 N ATOM 610 CA PHE A 48 8.467 -3.595 1.726 1.00 0.00 C ATOM 611 C PHE A 48 8.882 -2.285 2.389 1.00 0.00 C ATOM 612 O PHE A 48 8.957 -2.193 3.615 1.00 0.00 O ATOM 613 CB PHE A 48 7.188 -3.386 0.914 1.00 0.00 C ATOM 614 CG PHE A 48 5.947 -3.314 1.757 1.00 0.00 C ATOM 615 CD1 PHE A 48 5.279 -4.469 2.130 1.00 0.00 C ATOM 616 CD2 PHE A 48 5.448 -2.091 2.175 1.00 0.00 C ATOM 617 CE1 PHE A 48 4.137 -4.407 2.906 1.00 0.00 C ATOM 618 CE2 PHE A 48 4.306 -2.022 2.952 1.00 0.00 C ATOM 619 CZ PHE A 48 3.650 -3.181 3.317 1.00 0.00 C ATOM 0 H PHE A 48 8.009 -4.298 3.648 1.00 0.00 H new ATOM 0 HA PHE A 48 9.266 -3.912 1.056 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.280 -2.466 0.337 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.084 -4.201 0.198 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.655 -5.430 1.810 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.956 -1.181 1.891 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.626 -5.315 3.191 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.928 -1.063 3.273 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.757 -3.129 3.923 1.00 0.00 H new ATOM 629 N TYR A 49 9.153 -1.275 1.570 1.00 0.00 N ATOM 630 CA TYR A 49 9.564 0.030 2.075 1.00 0.00 C ATOM 631 C TYR A 49 8.532 1.098 1.726 1.00 0.00 C ATOM 632 O TYR A 49 7.608 0.856 0.951 1.00 0.00 O ATOM 633 CB TYR A 49 10.928 0.415 1.502 1.00 0.00 C ATOM 634 CG TYR A 49 12.087 -0.292 2.168 1.00 0.00 C ATOM 635 CD1 TYR A 49 12.287 -1.656 1.993 1.00 0.00 C ATOM 636 CD2 TYR A 49 12.981 0.403 2.973 1.00 0.00 C ATOM 637 CE1 TYR A 49 13.344 -2.306 2.600 1.00 0.00 C ATOM 638 CE2 TYR A 49 14.041 -0.239 3.583 1.00 0.00 C ATOM 639 CZ TYR A 49 14.218 -1.593 3.394 1.00 0.00 C ATOM 640 OH TYR A 49 15.272 -2.237 4.001 1.00 0.00 O ATOM 0 H TYR A 49 9.096 -1.335 0.553 1.00 0.00 H new ATOM 0 HA TYR A 49 9.639 -0.035 3.160 1.00 0.00 H new ATOM 0 HB2 TYR A 49 10.941 0.190 0.435 1.00 0.00 H new ATOM 0 HB3 TYR A 49 11.064 1.492 1.603 1.00 0.00 H new ATOM 0 HD1 TYR A 49 11.605 -2.217 1.372 1.00 0.00 H new ATOM 0 HD2 TYR A 49 12.845 1.464 3.124 1.00 0.00 H new ATOM 0 HE1 TYR A 49 13.485 -3.367 2.454 1.00 0.00 H new ATOM 0 HE2 TYR A 49 14.727 0.317 4.205 1.00 0.00 H new ATOM 0 HH TYR A 49 15.792 -1.592 4.524 1.00 0.00 H new ATOM 650 N ALA A 50 8.699 2.283 2.305 1.00 0.00 N ATOM 651 CA ALA A 50 7.786 3.391 2.054 1.00 0.00 C ATOM 652 C ALA A 50 8.549 4.691 1.824 1.00 0.00 C ATOM 653 O ALA A 50 9.160 5.235 2.744 1.00 0.00 O ATOM 654 CB ALA A 50 6.813 3.546 3.214 1.00 0.00 C ATOM 0 H ALA A 50 9.458 2.500 2.951 1.00 0.00 H new ATOM 0 HA ALA A 50 7.223 3.167 1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.137 4.377 3.013 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.236 2.629 3.330 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.368 3.743 4.131 1.00 0.00 H new ATOM 660 N VAL A 51 8.510 5.184 0.590 1.00 0.00 N ATOM 661 CA VAL A 51 9.198 6.420 0.239 1.00 0.00 C ATOM 662 C VAL A 51 8.299 7.335 -0.584 1.00 0.00 C ATOM 663 O VAL A 51 7.849 6.967 -1.669 1.00 0.00 O ATOM 664 CB VAL A 51 10.489 6.139 -0.554 1.00 0.00 C ATOM 665 CG1 VAL A 51 11.209 7.438 -0.880 1.00 0.00 C ATOM 666 CG2 VAL A 51 11.396 5.197 0.223 1.00 0.00 C ATOM 0 H VAL A 51 8.009 4.746 -0.183 1.00 0.00 H new ATOM 0 HA VAL A 51 9.456 6.915 1.175 1.00 0.00 H new ATOM 0 HB VAL A 51 10.220 5.656 -1.493 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.118 7.219 -1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.558 8.074 -1.479 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.468 7.953 0.045 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.303 5.009 -0.351 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.659 5.651 1.178 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.877 4.255 0.399 1.00 0.00 H new ATOM 676 N GLU A 52 8.041 8.530 -0.061 1.00 0.00 N ATOM 677 CA GLU A 52 7.194 9.498 -0.748 1.00 0.00 C ATOM 678 C GLU A 52 5.802 8.923 -0.998 1.00 0.00 C ATOM 679 O GLU A 52 5.225 9.110 -2.069 1.00 0.00 O ATOM 680 CB GLU A 52 7.831 9.914 -2.076 1.00 0.00 C ATOM 681 CG GLU A 52 9.109 10.719 -1.911 1.00 0.00 C ATOM 682 CD GLU A 52 9.599 11.309 -3.220 1.00 0.00 C ATOM 683 OE1 GLU A 52 8.893 12.169 -3.785 1.00 0.00 O ATOM 684 OE2 GLU A 52 10.691 10.910 -3.677 1.00 0.00 O ATOM 0 H GLU A 52 8.406 8.851 0.836 1.00 0.00 H new ATOM 0 HA GLU A 52 7.097 10.375 -0.108 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.047 9.020 -2.661 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.112 10.502 -2.646 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.938 11.523 -1.196 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.886 10.079 -1.492 1.00 0.00 H new ATOM 691 N ARG A 53 5.271 8.222 -0.001 1.00 0.00 N ATOM 692 CA ARG A 53 3.949 7.618 -0.112 1.00 0.00 C ATOM 693 C ARG A 53 3.932 6.541 -1.193 1.00 0.00 C ATOM 694 O ARG A 53 2.917 6.328 -1.856 1.00 0.00 O ATOM 695 CB ARG A 53 2.901 8.687 -0.427 1.00 0.00 C ATOM 696 CG ARG A 53 2.836 9.799 0.608 1.00 0.00 C ATOM 697 CD ARG A 53 1.731 10.793 0.288 1.00 0.00 C ATOM 698 NE ARG A 53 2.078 11.654 -0.839 1.00 0.00 N ATOM 699 CZ ARG A 53 2.679 12.831 -0.706 1.00 0.00 C ATOM 700 NH1 ARG A 53 2.999 13.284 0.498 1.00 0.00 N ATOM 701 NH2 ARG A 53 2.963 13.557 -1.780 1.00 0.00 N ATOM 0 H ARG A 53 5.736 8.059 0.892 1.00 0.00 H new ATOM 0 HA ARG A 53 3.709 7.153 0.844 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.120 9.122 -1.402 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.922 8.213 -0.501 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.666 9.369 1.595 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.794 10.318 0.647 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.812 10.253 0.062 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.531 11.408 1.166 1.00 0.00 H new ATOM 0 HE ARG A 53 1.846 11.334 -1.779 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.784 12.728 1.326 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.460 14.188 0.597 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.720 13.211 -2.708 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.425 14.461 -1.677 1.00 0.00 H new ATOM 715 N ARG A 54 5.064 5.865 -1.365 1.00 0.00 N ATOM 716 CA ARG A 54 5.179 4.811 -2.366 1.00 0.00 C ATOM 717 C ARG A 54 5.563 3.484 -1.718 1.00 0.00 C ATOM 718 O ARG A 54 5.765 3.410 -0.506 1.00 0.00 O ATOM 719 CB ARG A 54 6.218 5.194 -3.422 1.00 0.00 C ATOM 720 CG ARG A 54 5.906 6.497 -4.140 1.00 0.00 C ATOM 721 CD ARG A 54 6.457 6.498 -5.557 1.00 0.00 C ATOM 722 NE ARG A 54 7.784 7.103 -5.628 1.00 0.00 N ATOM 723 CZ ARG A 54 7.991 8.398 -5.839 1.00 0.00 C ATOM 724 NH1 ARG A 54 6.962 9.220 -5.999 1.00 0.00 N ATOM 725 NH2 ARG A 54 9.228 8.875 -5.890 1.00 0.00 N ATOM 0 H ARG A 54 5.913 6.028 -0.825 1.00 0.00 H new ATOM 0 HA ARG A 54 4.208 4.693 -2.846 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.195 5.277 -2.945 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.289 4.392 -4.157 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.827 6.649 -4.168 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.331 7.332 -3.583 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.505 5.474 -5.928 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.775 7.042 -6.211 1.00 0.00 H new ATOM 0 HE ARG A 54 8.597 6.498 -5.509 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.009 8.858 -5.960 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.124 10.214 -6.161 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.022 8.247 -5.767 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.385 9.870 -6.052 1.00 0.00 H new ATOM 739 N ALA A 55 5.659 2.439 -2.533 1.00 0.00 N ATOM 740 CA ALA A 55 6.019 1.116 -2.039 1.00 0.00 C ATOM 741 C ALA A 55 7.201 0.543 -2.815 1.00 0.00 C ATOM 742 O ALA A 55 7.142 0.398 -4.036 1.00 0.00 O ATOM 743 CB ALA A 55 4.825 0.178 -2.124 1.00 0.00 C ATOM 0 H ALA A 55 5.492 2.483 -3.538 1.00 0.00 H new ATOM 0 HA ALA A 55 6.316 1.214 -0.995 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.108 -0.806 -1.752 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.008 0.573 -1.520 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.501 0.094 -3.161 1.00 0.00 H new ATOM 749 N TYR A 56 8.272 0.219 -2.099 1.00 0.00 N ATOM 750 CA TYR A 56 9.468 -0.335 -2.721 1.00 0.00 C ATOM 751 C TYR A 56 9.858 -1.658 -2.069 1.00 0.00 C ATOM 752 O TYR A 56 10.089 -1.725 -0.862 1.00 0.00 O ATOM 753 CB TYR A 56 10.628 0.658 -2.620 1.00 0.00 C ATOM 754 CG TYR A 56 10.430 1.906 -3.449 1.00 0.00 C ATOM 755 CD1 TYR A 56 10.863 1.964 -4.768 1.00 0.00 C ATOM 756 CD2 TYR A 56 9.810 3.029 -2.914 1.00 0.00 C ATOM 757 CE1 TYR A 56 10.685 3.103 -5.529 1.00 0.00 C ATOM 758 CE2 TYR A 56 9.627 4.171 -3.668 1.00 0.00 C ATOM 759 CZ TYR A 56 10.066 4.204 -4.975 1.00 0.00 C ATOM 760 OH TYR A 56 9.886 5.340 -5.730 1.00 0.00 O ATOM 0 H TYR A 56 8.336 0.331 -1.087 1.00 0.00 H new ATOM 0 HA TYR A 56 9.247 -0.520 -3.772 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.762 0.943 -1.576 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.547 0.164 -2.936 1.00 0.00 H new ATOM 0 HD1 TYR A 56 11.347 1.104 -5.206 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.465 3.008 -1.891 1.00 0.00 H new ATOM 0 HE1 TYR A 56 11.029 3.131 -6.552 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.142 5.034 -3.236 1.00 0.00 H new ATOM 0 HH TYR A 56 9.788 5.094 -6.673 1.00 0.00 H new ATOM 770 N CYS A 57 9.930 -2.710 -2.878 1.00 0.00 N ATOM 771 CA CYS A 57 10.292 -4.032 -2.383 1.00 0.00 C ATOM 772 C CYS A 57 11.764 -4.080 -1.984 1.00 0.00 C ATOM 773 O CYS A 57 12.608 -3.443 -2.613 1.00 0.00 O ATOM 774 CB CYS A 57 10.006 -5.094 -3.448 1.00 0.00 C ATOM 775 SG CYS A 57 10.880 -4.821 -5.023 1.00 0.00 S ATOM 0 H CYS A 57 9.742 -2.672 -3.880 1.00 0.00 H new ATOM 0 HA CYS A 57 9.688 -4.240 -1.500 1.00 0.00 H new ATOM 0 HB2 CYS A 57 10.284 -6.072 -3.055 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.933 -5.121 -3.640 1.00 0.00 H new ATOM 0 HG CYS A 57 10.042 -4.935 -6.010 1.00 0.00 H new ATOM 780 N GLU A 58 12.062 -4.839 -0.934 1.00 0.00 N ATOM 781 CA GLU A 58 13.432 -4.969 -0.451 1.00 0.00 C ATOM 782 C GLU A 58 14.426 -4.901 -1.607 1.00 0.00 C ATOM 783 O GLU A 58 15.377 -4.121 -1.578 1.00 0.00 O ATOM 784 CB GLU A 58 13.606 -6.286 0.308 1.00 0.00 C ATOM 785 CG GLU A 58 15.050 -6.598 0.663 1.00 0.00 C ATOM 786 CD GLU A 58 15.759 -7.387 -0.421 1.00 0.00 C ATOM 787 OE1 GLU A 58 15.620 -8.628 -0.437 1.00 0.00 O ATOM 788 OE2 GLU A 58 16.453 -6.764 -1.251 1.00 0.00 O ATOM 0 H GLU A 58 11.374 -5.372 -0.402 1.00 0.00 H new ATOM 0 HA GLU A 58 13.631 -4.138 0.226 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.016 -6.249 1.224 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.205 -7.100 -0.297 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.587 -5.666 0.839 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.077 -7.162 1.595 1.00 0.00 H new ATOM 795 N GLY A 59 14.197 -5.725 -2.625 1.00 0.00 N ATOM 796 CA GLY A 59 15.080 -5.744 -3.777 1.00 0.00 C ATOM 797 C GLY A 59 15.263 -4.369 -4.390 1.00 0.00 C ATOM 798 O GLY A 59 16.378 -3.849 -4.443 1.00 0.00 O ATOM 0 H GLY A 59 13.416 -6.380 -2.673 1.00 0.00 H new ATOM 0 HA2 GLY A 59 16.052 -6.138 -3.480 1.00 0.00 H new ATOM 0 HA3 GLY A 59 14.677 -6.423 -4.529 1.00 0.00 H new ATOM 802 N CYS A 60 14.167 -3.780 -4.855 1.00 0.00 N ATOM 803 CA CYS A 60 14.211 -2.459 -5.469 1.00 0.00 C ATOM 804 C CYS A 60 14.876 -1.448 -4.539 1.00 0.00 C ATOM 805 O CYS A 60 15.862 -0.808 -4.905 1.00 0.00 O ATOM 806 CB CYS A 60 12.798 -1.990 -5.822 1.00 0.00 C ATOM 807 SG CYS A 60 12.234 -2.507 -7.475 1.00 0.00 S ATOM 0 H CYS A 60 13.237 -4.197 -4.818 1.00 0.00 H new ATOM 0 HA CYS A 60 14.802 -2.530 -6.382 1.00 0.00 H new ATOM 0 HB2 CYS A 60 12.102 -2.374 -5.076 1.00 0.00 H new ATOM 0 HB3 CYS A 60 12.762 -0.902 -5.761 1.00 0.00 H new ATOM 0 HG CYS A 60 11.494 -3.570 -7.368 1.00 0.00 H new ATOM 812 N TYR A 61 14.330 -1.311 -3.336 1.00 0.00 N ATOM 813 CA TYR A 61 14.869 -0.377 -2.354 1.00 0.00 C ATOM 814 C TYR A 61 16.392 -0.461 -2.302 1.00 0.00 C ATOM 815 O TYR A 61 17.080 0.559 -2.250 1.00 0.00 O ATOM 816 CB TYR A 61 14.283 -0.665 -0.971 1.00 0.00 C ATOM 817 CG TYR A 61 14.772 0.281 0.102 1.00 0.00 C ATOM 818 CD1 TYR A 61 14.109 1.476 0.356 1.00 0.00 C ATOM 819 CD2 TYR A 61 15.896 -0.018 0.861 1.00 0.00 C ATOM 820 CE1 TYR A 61 14.552 2.344 1.336 1.00 0.00 C ATOM 821 CE2 TYR A 61 16.346 0.843 1.843 1.00 0.00 C ATOM 822 CZ TYR A 61 15.670 2.023 2.076 1.00 0.00 C ATOM 823 OH TYR A 61 16.115 2.884 3.053 1.00 0.00 O ATOM 0 H TYR A 61 13.515 -1.835 -3.017 1.00 0.00 H new ATOM 0 HA TYR A 61 14.589 0.632 -2.657 1.00 0.00 H new ATOM 0 HB2 TYR A 61 13.196 -0.607 -1.027 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.534 -1.687 -0.685 1.00 0.00 H new ATOM 0 HD1 TYR A 61 13.233 1.730 -0.222 1.00 0.00 H new ATOM 0 HD2 TYR A 61 16.428 -0.940 0.680 1.00 0.00 H new ATOM 0 HE1 TYR A 61 14.025 3.269 1.521 1.00 0.00 H new ATOM 0 HE2 TYR A 61 17.221 0.594 2.425 1.00 0.00 H new ATOM 0 HH TYR A 61 16.912 2.509 3.481 1.00 0.00 H new ATOM 833 N VAL A 62 16.912 -1.684 -2.316 1.00 0.00 N ATOM 834 CA VAL A 62 18.352 -1.903 -2.271 1.00 0.00 C ATOM 835 C VAL A 62 19.002 -1.558 -3.607 1.00 0.00 C ATOM 836 O VAL A 62 20.096 -0.997 -3.650 1.00 0.00 O ATOM 837 CB VAL A 62 18.688 -3.362 -1.911 1.00 0.00 C ATOM 838 CG1 VAL A 62 20.190 -3.596 -1.973 1.00 0.00 C ATOM 839 CG2 VAL A 62 18.142 -3.710 -0.535 1.00 0.00 C ATOM 0 H VAL A 62 16.357 -2.539 -2.358 1.00 0.00 H new ATOM 0 HA VAL A 62 18.748 -1.246 -1.497 1.00 0.00 H new ATOM 0 HB VAL A 62 18.213 -4.017 -2.642 1.00 0.00 H new ATOM 0 HG11 VAL A 62 20.408 -4.633 -1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 62 20.549 -3.389 -2.981 1.00 0.00 H new ATOM 0 HG13 VAL A 62 20.691 -2.934 -1.267 1.00 0.00 H new ATOM 0 HG21 VAL A 62 18.389 -4.745 -0.297 1.00 0.00 H new ATOM 0 HG22 VAL A 62 18.586 -3.050 0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 62 17.059 -3.585 -0.531 1.00 0.00 H new ATOM 849 N ALA A 63 18.320 -1.898 -4.696 1.00 0.00 N ATOM 850 CA ALA A 63 18.829 -1.622 -6.033 1.00 0.00 C ATOM 851 C ALA A 63 18.992 -0.123 -6.260 1.00 0.00 C ATOM 852 O ALA A 63 19.974 0.323 -6.856 1.00 0.00 O ATOM 853 CB ALA A 63 17.904 -2.219 -7.083 1.00 0.00 C ATOM 0 H ALA A 63 17.413 -2.365 -4.678 1.00 0.00 H new ATOM 0 HA ALA A 63 19.811 -2.085 -6.124 1.00 0.00 H new ATOM 0 HB1 ALA A 63 18.296 -2.005 -8.077 1.00 0.00 H new ATOM 0 HB2 ALA A 63 17.842 -3.298 -6.942 1.00 0.00 H new ATOM 0 HB3 ALA A 63 16.910 -1.782 -6.983 1.00 0.00 H new ATOM 859 N THR A 64 18.024 0.653 -5.782 1.00 0.00 N ATOM 860 CA THR A 64 18.060 2.102 -5.934 1.00 0.00 C ATOM 861 C THR A 64 19.307 2.692 -5.287 1.00 0.00 C ATOM 862 O THR A 64 19.871 3.670 -5.780 1.00 0.00 O ATOM 863 CB THR A 64 16.813 2.762 -5.316 1.00 0.00 C ATOM 864 OG1 THR A 64 16.758 2.487 -3.912 1.00 0.00 O ATOM 865 CG2 THR A 64 15.544 2.258 -5.988 1.00 0.00 C ATOM 0 H THR A 64 17.205 0.302 -5.286 1.00 0.00 H new ATOM 0 HA THR A 64 18.078 2.307 -7.004 1.00 0.00 H new ATOM 0 HB THR A 64 16.884 3.838 -5.472 1.00 0.00 H new ATOM 0 HG1 THR A 64 16.940 1.536 -3.757 1.00 0.00 H new ATOM 0 HG21 THR A 64 14.677 2.738 -5.535 1.00 0.00 H new ATOM 0 HG22 THR A 64 15.576 2.496 -7.051 1.00 0.00 H new ATOM 0 HG23 THR A 64 15.469 1.178 -5.860 1.00 0.00 H new ATOM 873 N LEU A 65 19.735 2.093 -4.182 1.00 0.00 N ATOM 874 CA LEU A 65 20.918 2.559 -3.467 1.00 0.00 C ATOM 875 C LEU A 65 22.179 2.324 -4.290 1.00 0.00 C ATOM 876 O LEU A 65 23.035 3.202 -4.397 1.00 0.00 O ATOM 877 CB LEU A 65 21.036 1.848 -2.117 1.00 0.00 C ATOM 878 CG LEU A 65 19.868 2.046 -1.150 1.00 0.00 C ATOM 879 CD1 LEU A 65 19.953 1.053 -0.001 1.00 0.00 C ATOM 880 CD2 LEU A 65 19.849 3.473 -0.623 1.00 0.00 C ATOM 0 H LEU A 65 19.280 1.283 -3.761 1.00 0.00 H new ATOM 0 HA LEU A 65 20.811 3.631 -3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 65 21.153 0.780 -2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 65 21.948 2.189 -1.628 1.00 0.00 H new ATOM 0 HG LEU A 65 18.939 1.867 -1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 65 19.114 1.209 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 65 19.918 0.037 -0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 65 20.888 1.201 0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 65 19.011 3.596 0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 65 20.782 3.680 -0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 65 19.740 4.167 -1.456 1.00 0.00 H new ATOM 892 N GLU A 66 22.287 1.134 -4.873 1.00 0.00 N ATOM 893 CA GLU A 66 23.444 0.785 -5.688 1.00 0.00 C ATOM 894 C GLU A 66 23.723 1.867 -6.728 1.00 0.00 C ATOM 895 O GLU A 66 24.832 2.396 -6.806 1.00 0.00 O ATOM 896 CB GLU A 66 23.219 -0.560 -6.383 1.00 0.00 C ATOM 897 CG GLU A 66 23.612 -1.757 -5.534 1.00 0.00 C ATOM 898 CD GLU A 66 22.531 -2.152 -4.547 1.00 0.00 C ATOM 899 OE1 GLU A 66 21.577 -2.846 -4.959 1.00 0.00 O ATOM 900 OE2 GLU A 66 22.637 -1.767 -3.364 1.00 0.00 O ATOM 0 H GLU A 66 21.587 0.396 -4.796 1.00 0.00 H new ATOM 0 HA GLU A 66 24.309 0.706 -5.030 1.00 0.00 H new ATOM 0 HB2 GLU A 66 22.167 -0.648 -6.655 1.00 0.00 H new ATOM 0 HB3 GLU A 66 23.791 -0.580 -7.311 1.00 0.00 H new ATOM 0 HG2 GLU A 66 23.831 -2.603 -6.185 1.00 0.00 H new ATOM 0 HG3 GLU A 66 24.529 -1.527 -4.991 1.00 0.00 H new