USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=13 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 -166:sc= -0.438 USER MOD Set 1.2: A 39 CYS SG : rot 180:sc= -2.64! USER MOD Set 1.3: A 57 CYS SG : rot -128:sc= 0.799 USER MOD Set 1.4: A 60 CYS SG : rot 93:sc= -0.791 USER MOD Set 2.1: A 37 SER OG : rot -120:sc= -0.396 USER MOD Set 2.2: A 56 TYR OH : rot 15:sc= -0.0726 USER MOD Set 3.1: A 8 CYS SG : rot 154:sc= 0.644 USER MOD Set 3.2: A 11 CYS SG : rot -41:sc= 0.053 USER MOD Set 3.3: A 30 HIS : no HD1:sc= -2.95 K(o=-3.3,f=-9!) USER MOD Set 3.4: A 33 CYS SG : rot -179:sc= -1 USER MOD Single : A 38 THR OG1 : rot 97:sc= 0.225 USER MOD Single : A 42 GLN : amide:sc= -0.0774 X(o=-0.077,f=0) USER MOD Single : A 46 GLN : amide:sc= -2.78! C(o=-2.8!,f=-4.1!) USER MOD Single : A 47 HIS : no HD1:sc=-0.00628 X(o=-0.0063,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 -49:sc= 0.893 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -12.632 2.220 0.571 1.00 0.00 N ATOM 60 CA GLY A 7 -12.142 2.569 -0.750 1.00 0.00 C ATOM 61 C GLY A 7 -10.720 2.099 -0.984 1.00 0.00 C ATOM 62 O GLY A 7 -10.007 1.757 -0.039 1.00 0.00 O ATOM 0 HA2 GLY A 7 -12.795 2.130 -1.504 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.190 3.650 -0.878 1.00 0.00 H new ATOM 66 N CYS A 8 -10.305 2.079 -2.246 1.00 0.00 N ATOM 67 CA CYS A 8 -8.960 1.645 -2.603 1.00 0.00 C ATOM 68 C CYS A 8 -8.107 2.828 -3.050 1.00 0.00 C ATOM 69 O CYS A 8 -8.360 3.431 -4.092 1.00 0.00 O ATOM 70 CB CYS A 8 -9.018 0.595 -3.714 1.00 0.00 C ATOM 71 SG CYS A 8 -7.385 -0.001 -4.260 1.00 0.00 S ATOM 0 H CYS A 8 -10.882 2.359 -3.039 1.00 0.00 H new ATOM 0 HA CYS A 8 -8.501 1.203 -1.718 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.605 -0.255 -3.366 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -9.544 1.017 -4.571 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.500 -1.204 -4.738 1.00 0.00 H new ATOM 76 N GLY A 9 -7.094 3.155 -2.252 1.00 0.00 N ATOM 77 CA GLY A 9 -6.219 4.265 -2.582 1.00 0.00 C ATOM 78 C GLY A 9 -5.518 4.075 -3.913 1.00 0.00 C ATOM 79 O GLY A 9 -5.180 5.046 -4.589 1.00 0.00 O ATOM 0 H GLY A 9 -6.864 2.671 -1.384 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.801 5.186 -2.610 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.473 4.382 -1.796 1.00 0.00 H new ATOM 83 N GLY A 10 -5.298 2.820 -4.290 1.00 0.00 N ATOM 84 CA GLY A 10 -4.632 2.529 -5.547 1.00 0.00 C ATOM 85 C GLY A 10 -5.443 2.972 -6.749 1.00 0.00 C ATOM 86 O GLY A 10 -5.072 3.919 -7.442 1.00 0.00 O ATOM 0 H GLY A 10 -5.569 1.999 -3.748 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.662 3.026 -5.564 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.443 1.458 -5.615 1.00 0.00 H new ATOM 90 N CYS A 11 -6.552 2.284 -6.998 1.00 0.00 N ATOM 91 CA CYS A 11 -7.417 2.610 -8.125 1.00 0.00 C ATOM 92 C CYS A 11 -8.594 3.472 -7.677 1.00 0.00 C ATOM 93 O CYS A 11 -8.921 4.474 -8.311 1.00 0.00 O ATOM 94 CB CYS A 11 -7.931 1.330 -8.787 1.00 0.00 C ATOM 95 SG CYS A 11 -8.952 0.288 -7.697 1.00 0.00 S ATOM 0 H CYS A 11 -6.873 1.497 -6.434 1.00 0.00 H new ATOM 0 HA CYS A 11 -6.830 3.176 -8.849 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -8.515 1.598 -9.667 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -7.079 0.747 -9.136 1.00 0.00 H new ATOM 0 HG CYS A 11 -8.425 0.256 -6.509 1.00 0.00 H new ATOM 100 N GLY A 12 -9.228 3.073 -6.577 1.00 0.00 N ATOM 101 CA GLY A 12 -10.361 3.819 -6.062 1.00 0.00 C ATOM 102 C GLY A 12 -11.536 2.926 -5.720 1.00 0.00 C ATOM 103 O GLY A 12 -12.297 3.217 -4.798 1.00 0.00 O ATOM 0 H GLY A 12 -8.977 2.247 -6.034 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.056 4.369 -5.172 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.673 4.557 -6.801 1.00 0.00 H new ATOM 107 N GLU A 13 -11.686 1.835 -6.465 1.00 0.00 N ATOM 108 CA GLU A 13 -12.779 0.898 -6.236 1.00 0.00 C ATOM 109 C GLU A 13 -12.800 0.432 -4.783 1.00 0.00 C ATOM 110 O GLU A 13 -11.754 0.289 -4.151 1.00 0.00 O ATOM 111 CB GLU A 13 -12.650 -0.308 -7.169 1.00 0.00 C ATOM 112 CG GLU A 13 -12.590 0.064 -8.641 1.00 0.00 C ATOM 113 CD GLU A 13 -13.175 -1.009 -9.538 1.00 0.00 C ATOM 114 OE1 GLU A 13 -14.257 -1.536 -9.204 1.00 0.00 O ATOM 115 OE2 GLU A 13 -12.551 -1.323 -10.573 1.00 0.00 O ATOM 0 H GLU A 13 -11.064 1.579 -7.232 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.716 1.413 -6.448 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.750 -0.865 -6.907 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.497 -0.975 -7.006 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.130 0.998 -8.798 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.553 0.244 -8.925 1.00 0.00 H new ATOM 122 N ASP A 14 -13.999 0.197 -4.262 1.00 0.00 N ATOM 123 CA ASP A 14 -14.158 -0.254 -2.884 1.00 0.00 C ATOM 124 C ASP A 14 -13.446 -1.585 -2.662 1.00 0.00 C ATOM 125 O ASP A 14 -13.350 -2.409 -3.571 1.00 0.00 O ATOM 126 CB ASP A 14 -15.642 -0.391 -2.537 1.00 0.00 C ATOM 127 CG ASP A 14 -16.461 0.788 -3.025 1.00 0.00 C ATOM 128 OD1 ASP A 14 -15.919 1.912 -3.062 1.00 0.00 O ATOM 129 OD2 ASP A 14 -17.645 0.587 -3.369 1.00 0.00 O ATOM 0 H ASP A 14 -14.875 0.311 -4.772 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.707 0.492 -2.230 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -16.032 -1.308 -2.978 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.753 -0.484 -1.457 1.00 0.00 H new ATOM 134 N VAL A 15 -12.948 -1.788 -1.446 1.00 0.00 N ATOM 135 CA VAL A 15 -12.245 -3.019 -1.104 1.00 0.00 C ATOM 136 C VAL A 15 -13.037 -3.842 -0.095 1.00 0.00 C ATOM 137 O VAL A 15 -13.265 -3.407 1.034 1.00 0.00 O ATOM 138 CB VAL A 15 -10.848 -2.725 -0.527 1.00 0.00 C ATOM 139 CG1 VAL A 15 -10.125 -4.021 -0.191 1.00 0.00 C ATOM 140 CG2 VAL A 15 -10.034 -1.889 -1.503 1.00 0.00 C ATOM 0 H VAL A 15 -13.018 -1.116 -0.682 1.00 0.00 H new ATOM 0 HA VAL A 15 -12.136 -3.589 -2.027 1.00 0.00 H new ATOM 0 HB VAL A 15 -10.967 -2.154 0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.140 -3.793 0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.702 -4.579 0.547 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.015 -4.621 -1.094 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.050 -1.691 -1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.922 -2.432 -2.442 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.546 -0.945 -1.689 1.00 0.00 H new ATOM 202 N GLY A 21 -7.682 -7.154 1.894 1.00 0.00 N ATOM 203 CA GLY A 21 -7.588 -5.731 2.164 1.00 0.00 C ATOM 204 C GLY A 21 -6.217 -5.324 2.665 1.00 0.00 C ATOM 205 O GLY A 21 -6.008 -5.166 3.868 1.00 0.00 O ATOM 0 HA2 GLY A 21 -7.818 -5.176 1.255 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.339 -5.455 2.905 1.00 0.00 H new ATOM 209 N VAL A 22 -5.277 -5.156 1.740 1.00 0.00 N ATOM 210 CA VAL A 22 -3.917 -4.766 2.094 1.00 0.00 C ATOM 211 C VAL A 22 -3.817 -3.261 2.316 1.00 0.00 C ATOM 212 O VAL A 22 -3.915 -2.476 1.373 1.00 0.00 O ATOM 213 CB VAL A 22 -2.912 -5.182 1.003 1.00 0.00 C ATOM 214 CG1 VAL A 22 -1.498 -4.789 1.402 1.00 0.00 C ATOM 215 CG2 VAL A 22 -3.004 -6.676 0.736 1.00 0.00 C ATOM 0 H VAL A 22 -5.432 -5.284 0.740 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.670 -5.284 3.021 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.163 -4.656 0.082 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.802 -5.091 0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.445 -3.709 1.538 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.232 -5.285 2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.287 -6.952 -0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.779 -7.224 1.651 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.011 -6.925 0.402 1.00 0.00 H new ATOM 225 N VAL A 23 -3.620 -2.865 3.569 1.00 0.00 N ATOM 226 CA VAL A 23 -3.505 -1.454 3.916 1.00 0.00 C ATOM 227 C VAL A 23 -2.044 -1.024 3.989 1.00 0.00 C ATOM 228 O VAL A 23 -1.169 -1.817 4.336 1.00 0.00 O ATOM 229 CB VAL A 23 -4.187 -1.149 5.263 1.00 0.00 C ATOM 230 CG1 VAL A 23 -5.608 -1.689 5.276 1.00 0.00 C ATOM 231 CG2 VAL A 23 -3.376 -1.728 6.412 1.00 0.00 C ATOM 0 H VAL A 23 -3.537 -3.502 4.361 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.007 -0.892 3.128 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.235 -0.068 5.391 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.074 -1.464 6.235 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.182 -1.222 4.476 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.588 -2.768 5.126 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.872 -1.504 7.357 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.295 -2.808 6.292 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.379 -1.287 6.412 1.00 0.00 H new ATOM 241 N ALA A 24 -1.787 0.238 3.660 1.00 0.00 N ATOM 242 CA ALA A 24 -0.432 0.775 3.691 1.00 0.00 C ATOM 243 C ALA A 24 -0.446 2.291 3.856 1.00 0.00 C ATOM 244 O ALA A 24 -1.231 2.989 3.212 1.00 0.00 O ATOM 245 CB ALA A 24 0.318 0.387 2.426 1.00 0.00 C ATOM 0 H ALA A 24 -2.499 0.907 3.369 1.00 0.00 H new ATOM 0 HA ALA A 24 0.083 0.347 4.551 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.328 0.795 2.463 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.367 -0.699 2.351 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.203 0.787 1.557 1.00 0.00 H new ATOM 251 N LEU A 25 0.425 2.795 4.723 1.00 0.00 N ATOM 252 CA LEU A 25 0.513 4.229 4.973 1.00 0.00 C ATOM 253 C LEU A 25 -0.840 4.791 5.399 1.00 0.00 C ATOM 254 O LEU A 25 -1.233 5.878 4.975 1.00 0.00 O ATOM 255 CB LEU A 25 1.009 4.956 3.722 1.00 0.00 C ATOM 256 CG LEU A 25 2.270 4.388 3.071 1.00 0.00 C ATOM 257 CD1 LEU A 25 2.250 4.629 1.569 1.00 0.00 C ATOM 258 CD2 LEU A 25 3.515 5.001 3.695 1.00 0.00 C ATOM 0 H LEU A 25 1.080 2.232 5.265 1.00 0.00 H new ATOM 0 HA LEU A 25 1.224 4.388 5.784 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.209 4.951 2.982 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.196 5.998 3.982 1.00 0.00 H new ATOM 0 HG LEU A 25 2.293 3.312 3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.155 4.218 1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.377 4.142 1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.203 5.700 1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.403 4.585 3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.499 6.081 3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.536 4.776 4.761 1.00 0.00 H new ATOM 270 N ASP A 26 -1.545 4.045 6.242 1.00 0.00 N ATOM 271 CA ASP A 26 -2.852 4.470 6.729 1.00 0.00 C ATOM 272 C ASP A 26 -3.860 4.547 5.586 1.00 0.00 C ATOM 273 O ASP A 26 -4.740 5.407 5.578 1.00 0.00 O ATOM 274 CB ASP A 26 -2.745 5.829 7.422 1.00 0.00 C ATOM 275 CG ASP A 26 -2.508 5.701 8.914 1.00 0.00 C ATOM 276 OD1 ASP A 26 -3.057 4.760 9.524 1.00 0.00 O ATOM 277 OD2 ASP A 26 -1.772 6.542 9.472 1.00 0.00 O ATOM 0 H ASP A 26 -1.233 3.143 6.602 1.00 0.00 H new ATOM 0 HA ASP A 26 -3.201 3.730 7.449 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.930 6.398 6.975 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.661 6.395 7.250 1.00 0.00 H new ATOM 282 N ARG A 27 -3.723 3.641 4.623 1.00 0.00 N ATOM 283 CA ARG A 27 -4.620 3.608 3.474 1.00 0.00 C ATOM 284 C ARG A 27 -4.981 2.171 3.108 1.00 0.00 C ATOM 285 O ARG A 27 -4.394 1.221 3.626 1.00 0.00 O ATOM 286 CB ARG A 27 -3.972 4.303 2.274 1.00 0.00 C ATOM 287 CG ARG A 27 -4.196 5.806 2.249 1.00 0.00 C ATOM 288 CD ARG A 27 -5.445 6.170 1.461 1.00 0.00 C ATOM 289 NE ARG A 27 -5.612 7.616 1.336 1.00 0.00 N ATOM 290 CZ ARG A 27 -6.784 8.206 1.135 1.00 0.00 C ATOM 291 NH1 ARG A 27 -7.888 7.478 1.037 1.00 0.00 N ATOM 292 NH2 ARG A 27 -6.855 9.527 1.032 1.00 0.00 N ATOM 0 H ARG A 27 -3.000 2.921 4.616 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.534 4.138 3.743 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.900 4.104 2.284 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.368 3.869 1.356 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.287 6.178 3.269 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.329 6.297 1.806 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.390 5.724 0.468 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.320 5.745 1.953 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.782 8.205 1.407 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.838 6.462 1.116 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.787 7.934 0.883 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.008 10.091 1.107 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.756 9.979 0.878 1.00 0.00 H new ATOM 306 N VAL A 28 -5.951 2.020 2.212 1.00 0.00 N ATOM 307 CA VAL A 28 -6.391 0.700 1.776 1.00 0.00 C ATOM 308 C VAL A 28 -6.026 0.453 0.317 1.00 0.00 C ATOM 309 O VAL A 28 -6.074 1.365 -0.509 1.00 0.00 O ATOM 310 CB VAL A 28 -7.912 0.529 1.949 1.00 0.00 C ATOM 311 CG1 VAL A 28 -8.366 -0.810 1.388 1.00 0.00 C ATOM 312 CG2 VAL A 28 -8.299 0.662 3.414 1.00 0.00 C ATOM 0 H VAL A 28 -6.447 2.796 1.774 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.877 -0.028 2.404 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.415 1.319 1.391 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.443 -0.913 1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.123 -0.861 0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.857 -1.617 1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.377 0.539 3.518 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.788 -0.105 3.996 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.010 1.648 3.779 1.00 0.00 H new ATOM 322 N PHE A 29 -5.661 -0.786 0.005 1.00 0.00 N ATOM 323 CA PHE A 29 -5.286 -1.154 -1.356 1.00 0.00 C ATOM 324 C PHE A 29 -5.730 -2.578 -1.676 1.00 0.00 C ATOM 325 O PHE A 29 -5.795 -3.434 -0.793 1.00 0.00 O ATOM 326 CB PHE A 29 -3.773 -1.024 -1.544 1.00 0.00 C ATOM 327 CG PHE A 29 -3.238 0.332 -1.183 1.00 0.00 C ATOM 328 CD1 PHE A 29 -3.347 1.392 -2.067 1.00 0.00 C ATOM 329 CD2 PHE A 29 -2.625 0.545 0.041 1.00 0.00 C ATOM 330 CE1 PHE A 29 -2.856 2.642 -1.738 1.00 0.00 C ATOM 331 CE2 PHE A 29 -2.132 1.792 0.376 1.00 0.00 C ATOM 332 CZ PHE A 29 -2.247 2.841 -0.515 1.00 0.00 C ATOM 0 H PHE A 29 -5.617 -1.553 0.676 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.790 -0.473 -2.042 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.273 -1.777 -0.934 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.524 -1.239 -2.583 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.821 1.241 -3.025 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.531 -0.272 0.741 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.949 3.461 -2.436 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.657 1.946 1.334 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.861 3.816 -0.255 1.00 0.00 H new ATOM 342 N HIS A 30 -6.036 -2.825 -2.946 1.00 0.00 N ATOM 343 CA HIS A 30 -6.475 -4.145 -3.384 1.00 0.00 C ATOM 344 C HIS A 30 -5.291 -5.103 -3.490 1.00 0.00 C ATOM 345 O HIS A 30 -4.219 -4.730 -3.966 1.00 0.00 O ATOM 346 CB HIS A 30 -7.189 -4.047 -4.732 1.00 0.00 C ATOM 347 CG HIS A 30 -8.640 -3.694 -4.616 1.00 0.00 C ATOM 348 ND1 HIS A 30 -9.169 -2.517 -5.103 1.00 0.00 N ATOM 349 CD2 HIS A 30 -9.675 -4.371 -4.067 1.00 0.00 C ATOM 350 CE1 HIS A 30 -10.466 -2.485 -4.856 1.00 0.00 C ATOM 351 NE2 HIS A 30 -10.799 -3.599 -4.229 1.00 0.00 N ATOM 0 H HIS A 30 -5.988 -2.128 -3.690 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.171 -4.535 -2.641 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -6.689 -3.297 -5.345 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.096 -5.000 -5.254 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -9.626 -5.339 -3.590 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -11.140 -1.684 -5.122 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -11.738 -3.846 -3.916 1.00 0.00 H new ATOM 359 N VAL A 31 -5.494 -6.338 -3.043 1.00 0.00 N ATOM 360 CA VAL A 31 -4.444 -7.349 -3.088 1.00 0.00 C ATOM 361 C VAL A 31 -3.601 -7.210 -4.351 1.00 0.00 C ATOM 362 O VAL A 31 -2.406 -7.500 -4.346 1.00 0.00 O ATOM 363 CB VAL A 31 -5.032 -8.771 -3.031 1.00 0.00 C ATOM 364 CG1 VAL A 31 -5.818 -8.973 -1.744 1.00 0.00 C ATOM 365 CG2 VAL A 31 -5.907 -9.035 -4.247 1.00 0.00 C ATOM 0 H VAL A 31 -6.376 -6.663 -2.646 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.813 -7.189 -2.214 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.209 -9.486 -3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.226 -9.984 -1.722 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.158 -8.829 -0.888 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.634 -8.251 -1.699 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.314 -10.045 -4.190 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.725 -8.315 -4.270 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.310 -8.935 -5.153 1.00 0.00 H new ATOM 375 N GLY A 32 -4.234 -6.764 -5.432 1.00 0.00 N ATOM 376 CA GLY A 32 -3.526 -6.593 -6.687 1.00 0.00 C ATOM 377 C GLY A 32 -2.999 -5.184 -6.869 1.00 0.00 C ATOM 378 O GLY A 32 -1.869 -4.988 -7.317 1.00 0.00 O ATOM 0 H GLY A 32 -5.224 -6.518 -5.461 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.695 -7.297 -6.730 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.194 -6.837 -7.513 1.00 0.00 H new ATOM 382 N CYS A 33 -3.820 -4.198 -6.523 1.00 0.00 N ATOM 383 CA CYS A 33 -3.432 -2.798 -6.652 1.00 0.00 C ATOM 384 C CYS A 33 -2.124 -2.526 -5.915 1.00 0.00 C ATOM 385 O CYS A 33 -1.161 -2.027 -6.499 1.00 0.00 O ATOM 386 CB CYS A 33 -4.535 -1.889 -6.108 1.00 0.00 C ATOM 387 SG CYS A 33 -5.944 -1.669 -7.242 1.00 0.00 S ATOM 0 H CYS A 33 -4.759 -4.343 -6.151 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.284 -2.584 -7.710 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.900 -2.302 -5.168 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.108 -0.912 -5.883 1.00 0.00 H new ATOM 0 HG CYS A 33 -6.818 -0.874 -6.699 1.00 0.00 H new ATOM 392 N PHE A 34 -2.096 -2.858 -4.628 1.00 0.00 N ATOM 393 CA PHE A 34 -0.907 -2.649 -3.810 1.00 0.00 C ATOM 394 C PHE A 34 0.304 -3.347 -4.422 1.00 0.00 C ATOM 395 O PHE A 34 0.425 -4.571 -4.363 1.00 0.00 O ATOM 396 CB PHE A 34 -1.143 -3.165 -2.389 1.00 0.00 C ATOM 397 CG PHE A 34 -0.218 -2.561 -1.371 1.00 0.00 C ATOM 398 CD1 PHE A 34 -0.078 -1.186 -1.272 1.00 0.00 C ATOM 399 CD2 PHE A 34 0.511 -3.369 -0.513 1.00 0.00 C ATOM 400 CE1 PHE A 34 0.772 -0.627 -0.336 1.00 0.00 C ATOM 401 CE2 PHE A 34 1.362 -2.816 0.425 1.00 0.00 C ATOM 402 CZ PHE A 34 1.494 -1.443 0.513 1.00 0.00 C ATOM 0 H PHE A 34 -2.883 -3.273 -4.129 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.706 -1.578 -3.772 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.173 -2.956 -2.101 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.023 -4.248 -2.380 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.640 -0.543 -1.934 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.413 -4.443 -0.578 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.871 0.446 -0.269 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.924 -3.456 1.089 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.160 -1.009 1.244 1.00 0.00 H new ATOM 412 N VAL A 35 1.198 -2.560 -5.011 1.00 0.00 N ATOM 413 CA VAL A 35 2.400 -3.101 -5.634 1.00 0.00 C ATOM 414 C VAL A 35 3.539 -2.087 -5.604 1.00 0.00 C ATOM 415 O VAL A 35 3.340 -0.924 -5.253 1.00 0.00 O ATOM 416 CB VAL A 35 2.137 -3.517 -7.093 1.00 0.00 C ATOM 417 CG1 VAL A 35 0.947 -4.461 -7.173 1.00 0.00 C ATOM 418 CG2 VAL A 35 1.915 -2.291 -7.965 1.00 0.00 C ATOM 0 H VAL A 35 1.113 -1.545 -5.070 1.00 0.00 H new ATOM 0 HA VAL A 35 2.686 -3.981 -5.058 1.00 0.00 H new ATOM 0 HB VAL A 35 3.015 -4.045 -7.466 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.776 -4.744 -8.212 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.151 -5.354 -6.582 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.060 -3.962 -6.783 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.731 -2.604 -8.993 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.055 -1.733 -7.596 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.800 -1.656 -7.932 1.00 0.00 H new ATOM 428 N CYS A 36 4.733 -2.536 -5.974 1.00 0.00 N ATOM 429 CA CYS A 36 5.905 -1.669 -5.990 1.00 0.00 C ATOM 430 C CYS A 36 5.704 -0.499 -6.948 1.00 0.00 C ATOM 431 O CYS A 36 4.760 -0.486 -7.739 1.00 0.00 O ATOM 432 CB CYS A 36 7.148 -2.465 -6.393 1.00 0.00 C ATOM 433 SG CYS A 36 8.720 -1.604 -6.068 1.00 0.00 S ATOM 0 H CYS A 36 4.915 -3.496 -6.267 1.00 0.00 H new ATOM 0 HA CYS A 36 6.046 -1.272 -4.985 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.148 -3.414 -5.857 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.087 -2.699 -7.456 1.00 0.00 H new ATOM 0 HG CYS A 36 9.684 -2.208 -6.697 1.00 0.00 H new ATOM 438 N SER A 37 6.597 0.482 -6.871 1.00 0.00 N ATOM 439 CA SER A 37 6.515 1.659 -7.729 1.00 0.00 C ATOM 440 C SER A 37 7.545 1.585 -8.852 1.00 0.00 C ATOM 441 O SER A 37 7.409 2.247 -9.881 1.00 0.00 O ATOM 442 CB SER A 37 6.731 2.931 -6.907 1.00 0.00 C ATOM 443 OG SER A 37 7.024 4.036 -7.744 1.00 0.00 O ATOM 0 H SER A 37 7.385 0.486 -6.224 1.00 0.00 H new ATOM 0 HA SER A 37 5.520 1.686 -8.173 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.838 3.143 -6.319 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.548 2.778 -6.202 1.00 0.00 H new ATOM 0 HG SER A 37 7.905 4.398 -7.512 1.00 0.00 H new ATOM 449 N THR A 38 8.578 0.773 -8.647 1.00 0.00 N ATOM 450 CA THR A 38 9.633 0.612 -9.640 1.00 0.00 C ATOM 451 C THR A 38 9.407 -0.637 -10.484 1.00 0.00 C ATOM 452 O THR A 38 9.345 -0.566 -11.712 1.00 0.00 O ATOM 453 CB THR A 38 11.020 0.526 -8.977 1.00 0.00 C ATOM 454 OG1 THR A 38 11.317 1.752 -8.299 1.00 0.00 O ATOM 455 CG2 THR A 38 12.098 0.239 -10.012 1.00 0.00 C ATOM 0 H THR A 38 8.706 0.217 -7.802 1.00 0.00 H new ATOM 0 HA THR A 38 9.600 1.492 -10.282 1.00 0.00 H new ATOM 0 HB THR A 38 11.003 -0.292 -8.256 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.103 1.660 -7.347 1.00 0.00 H new ATOM 0 HG21 THR A 38 13.069 0.183 -9.520 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.886 -0.710 -10.505 1.00 0.00 H new ATOM 0 HG23 THR A 38 12.113 1.038 -10.753 1.00 0.00 H new ATOM 463 N CYS A 39 9.283 -1.780 -9.819 1.00 0.00 N ATOM 464 CA CYS A 39 9.063 -3.046 -10.507 1.00 0.00 C ATOM 465 C CYS A 39 7.577 -3.393 -10.549 1.00 0.00 C ATOM 466 O CYS A 39 7.158 -4.288 -11.283 1.00 0.00 O ATOM 467 CB CYS A 39 9.840 -4.169 -9.816 1.00 0.00 C ATOM 468 SG CYS A 39 9.033 -4.820 -8.319 1.00 0.00 S ATOM 0 H CYS A 39 9.331 -1.856 -8.803 1.00 0.00 H new ATOM 0 HA CYS A 39 9.423 -2.940 -11.531 1.00 0.00 H new ATOM 0 HB2 CYS A 39 9.983 -4.986 -10.523 1.00 0.00 H new ATOM 0 HB3 CYS A 39 10.831 -3.801 -9.551 1.00 0.00 H new ATOM 0 HG CYS A 39 9.765 -5.765 -7.808 1.00 0.00 H new ATOM 473 N ARG A 40 6.787 -2.677 -9.755 1.00 0.00 N ATOM 474 CA ARG A 40 5.348 -2.909 -9.700 1.00 0.00 C ATOM 475 C ARG A 40 5.045 -4.373 -9.397 1.00 0.00 C ATOM 476 O ARG A 40 4.202 -4.990 -10.048 1.00 0.00 O ATOM 477 CB ARG A 40 4.694 -2.505 -11.023 1.00 0.00 C ATOM 478 CG ARG A 40 5.142 -1.145 -11.533 1.00 0.00 C ATOM 479 CD ARG A 40 4.312 -0.022 -10.930 1.00 0.00 C ATOM 480 NE ARG A 40 2.937 -0.033 -11.422 1.00 0.00 N ATOM 481 CZ ARG A 40 2.576 0.452 -12.605 1.00 0.00 C ATOM 482 NH1 ARG A 40 3.484 0.982 -13.413 1.00 0.00 N ATOM 483 NH2 ARG A 40 1.305 0.405 -12.982 1.00 0.00 N ATOM 0 H ARG A 40 7.118 -1.932 -9.142 1.00 0.00 H new ATOM 0 HA ARG A 40 4.937 -2.297 -8.897 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.922 -3.259 -11.776 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.611 -2.498 -10.896 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.194 -0.992 -11.290 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.059 -1.117 -12.619 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.309 -0.116 -9.844 1.00 0.00 H new ATOM 0 HD3 ARG A 40 4.774 0.937 -11.166 1.00 0.00 H new ATOM 0 HE ARG A 40 2.214 -0.435 -10.825 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.462 1.018 -13.127 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.204 1.354 -14.321 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.604 -0.004 -12.364 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.028 0.778 -13.890 1.00 0.00 H new ATOM 497 N ALA A 41 5.738 -4.923 -8.406 1.00 0.00 N ATOM 498 CA ALA A 41 5.542 -6.314 -8.016 1.00 0.00 C ATOM 499 C ALA A 41 4.496 -6.432 -6.912 1.00 0.00 C ATOM 500 O ALA A 41 4.251 -5.479 -6.173 1.00 0.00 O ATOM 501 CB ALA A 41 6.860 -6.926 -7.564 1.00 0.00 C ATOM 0 H ALA A 41 6.441 -4.427 -7.858 1.00 0.00 H new ATOM 0 HA ALA A 41 5.179 -6.862 -8.885 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.699 -7.965 -7.276 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.580 -6.884 -8.381 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.246 -6.368 -6.711 1.00 0.00 H new ATOM 507 N GLN A 42 3.883 -7.607 -6.808 1.00 0.00 N ATOM 508 CA GLN A 42 2.863 -7.848 -5.795 1.00 0.00 C ATOM 509 C GLN A 42 3.453 -7.746 -4.392 1.00 0.00 C ATOM 510 O GLN A 42 4.353 -8.506 -4.029 1.00 0.00 O ATOM 511 CB GLN A 42 2.229 -9.225 -5.996 1.00 0.00 C ATOM 512 CG GLN A 42 1.046 -9.217 -6.950 1.00 0.00 C ATOM 513 CD GLN A 42 0.047 -10.318 -6.651 1.00 0.00 C ATOM 514 OE1 GLN A 42 0.418 -11.482 -6.496 1.00 0.00 O ATOM 515 NE2 GLN A 42 -1.227 -9.955 -6.567 1.00 0.00 N ATOM 0 H GLN A 42 4.075 -8.406 -7.412 1.00 0.00 H new ATOM 0 HA GLN A 42 2.094 -7.083 -5.902 1.00 0.00 H new ATOM 0 HB2 GLN A 42 2.986 -9.912 -6.375 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.903 -9.610 -5.030 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.544 -8.251 -6.892 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.408 -9.328 -7.972 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -1.489 -8.979 -6.703 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.944 -10.652 -6.367 1.00 0.00 H new ATOM 524 N LEU A 43 2.942 -6.805 -3.607 1.00 0.00 N ATOM 525 CA LEU A 43 3.419 -6.604 -2.243 1.00 0.00 C ATOM 526 C LEU A 43 2.408 -7.130 -1.229 1.00 0.00 C ATOM 527 O LEU A 43 2.453 -6.775 -0.051 1.00 0.00 O ATOM 528 CB LEU A 43 3.687 -5.119 -1.989 1.00 0.00 C ATOM 529 CG LEU A 43 4.703 -4.452 -2.917 1.00 0.00 C ATOM 530 CD1 LEU A 43 4.731 -2.949 -2.686 1.00 0.00 C ATOM 531 CD2 LEU A 43 6.087 -5.051 -2.710 1.00 0.00 C ATOM 0 H LEU A 43 2.197 -6.169 -3.891 1.00 0.00 H new ATOM 0 HA LEU A 43 4.349 -7.161 -2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.743 -4.581 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.032 -5.003 -0.962 1.00 0.00 H new ATOM 0 HG LEU A 43 4.400 -4.635 -3.948 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.460 -2.492 -3.355 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.744 -2.532 -2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.010 -2.745 -1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.798 -4.565 -3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.398 -4.899 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.057 -6.119 -2.927 1.00 0.00 H new ATOM 543 N ARG A 44 1.498 -7.980 -1.695 1.00 0.00 N ATOM 544 CA ARG A 44 0.477 -8.556 -0.829 1.00 0.00 C ATOM 545 C ARG A 44 1.112 -9.392 0.278 1.00 0.00 C ATOM 546 O ARG A 44 1.887 -10.309 0.011 1.00 0.00 O ATOM 547 CB ARG A 44 -0.487 -9.419 -1.646 1.00 0.00 C ATOM 548 CG ARG A 44 -1.790 -9.726 -0.925 1.00 0.00 C ATOM 549 CD ARG A 44 -2.409 -11.023 -1.422 1.00 0.00 C ATOM 550 NE ARG A 44 -3.363 -11.576 -0.465 1.00 0.00 N ATOM 551 CZ ARG A 44 -4.226 -12.541 -0.762 1.00 0.00 C ATOM 552 NH1 ARG A 44 -4.254 -13.058 -1.982 1.00 0.00 N ATOM 553 NH2 ARG A 44 -5.063 -12.992 0.164 1.00 0.00 N ATOM 0 H ARG A 44 1.447 -8.285 -2.667 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.078 -7.738 -0.370 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.711 -8.910 -2.583 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.006 -10.357 -1.902 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.606 -9.797 0.147 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.492 -8.906 -1.075 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.912 -10.844 -2.373 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.621 -11.752 -1.611 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.367 -11.201 0.483 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.612 -12.715 -2.696 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.918 -13.799 -2.207 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.044 -12.598 1.104 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.725 -13.733 -0.065 1.00 0.00 H new ATOM 567 N GLY A 45 0.777 -9.068 1.524 1.00 0.00 N ATOM 568 CA GLY A 45 1.323 -9.797 2.653 1.00 0.00 C ATOM 569 C GLY A 45 2.818 -10.018 2.531 1.00 0.00 C ATOM 570 O GLY A 45 3.268 -11.140 2.300 1.00 0.00 O ATOM 0 H GLY A 45 0.137 -8.313 1.771 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.113 -9.249 3.571 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.822 -10.761 2.736 1.00 0.00 H new ATOM 574 N GLN A 46 3.588 -8.946 2.686 1.00 0.00 N ATOM 575 CA GLN A 46 5.041 -9.029 2.590 1.00 0.00 C ATOM 576 C GLN A 46 5.695 -7.758 3.123 1.00 0.00 C ATOM 577 O GLN A 46 5.011 -6.797 3.475 1.00 0.00 O ATOM 578 CB GLN A 46 5.464 -9.265 1.139 1.00 0.00 C ATOM 579 CG GLN A 46 5.429 -8.009 0.283 1.00 0.00 C ATOM 580 CD GLN A 46 6.204 -8.163 -1.010 1.00 0.00 C ATOM 581 OE1 GLN A 46 5.798 -8.903 -1.907 1.00 0.00 O ATOM 582 NE2 GLN A 46 7.328 -7.463 -1.115 1.00 0.00 N ATOM 0 H GLN A 46 3.231 -8.010 2.878 1.00 0.00 H new ATOM 0 HA GLN A 46 5.373 -9.869 3.199 1.00 0.00 H new ATOM 0 HB2 GLN A 46 6.474 -9.676 1.126 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.809 -10.015 0.696 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.393 -7.759 0.054 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.840 -7.175 0.851 1.00 0.00 H new ATOM 0 HE21 GLN A 46 7.628 -6.862 -0.348 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.891 -7.527 -1.963 1.00 0.00 H new ATOM 591 N HIS A 47 7.023 -7.761 3.179 1.00 0.00 N ATOM 592 CA HIS A 47 7.769 -6.608 3.669 1.00 0.00 C ATOM 593 C HIS A 47 8.016 -5.604 2.547 1.00 0.00 C ATOM 594 O HIS A 47 8.445 -5.972 1.454 1.00 0.00 O ATOM 595 CB HIS A 47 9.102 -7.055 4.271 1.00 0.00 C ATOM 596 CG HIS A 47 8.952 -7.874 5.516 1.00 0.00 C ATOM 597 ND1 HIS A 47 9.748 -8.964 5.800 1.00 0.00 N ATOM 598 CD2 HIS A 47 8.093 -7.756 6.555 1.00 0.00 C ATOM 599 CE1 HIS A 47 9.383 -9.482 6.959 1.00 0.00 C ATOM 600 NE2 HIS A 47 8.382 -8.767 7.439 1.00 0.00 N ATOM 0 H HIS A 47 7.604 -8.548 2.891 1.00 0.00 H new ATOM 0 HA HIS A 47 7.174 -6.123 4.442 1.00 0.00 H new ATOM 0 HB2 HIS A 47 9.650 -7.635 3.528 1.00 0.00 H new ATOM 0 HB3 HIS A 47 9.703 -6.174 4.496 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.324 -7.007 6.668 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.828 -10.344 7.434 1.00 0.00 H new ATOM 0 HE2 HIS A 47 7.902 -8.938 8.322 1.00 0.00 H new ATOM 609 N PHE A 48 7.741 -4.334 2.826 1.00 0.00 N ATOM 610 CA PHE A 48 7.931 -3.276 1.839 1.00 0.00 C ATOM 611 C PHE A 48 8.513 -2.024 2.489 1.00 0.00 C ATOM 612 O PHE A 48 8.598 -1.930 3.714 1.00 0.00 O ATOM 613 CB PHE A 48 6.603 -2.941 1.158 1.00 0.00 C ATOM 614 CG PHE A 48 5.447 -2.843 2.112 1.00 0.00 C ATOM 615 CD1 PHE A 48 4.779 -3.983 2.530 1.00 0.00 C ATOM 616 CD2 PHE A 48 5.029 -1.612 2.590 1.00 0.00 C ATOM 617 CE1 PHE A 48 3.715 -3.897 3.408 1.00 0.00 C ATOM 618 CE2 PHE A 48 3.966 -1.520 3.469 1.00 0.00 C ATOM 619 CZ PHE A 48 3.308 -2.663 3.878 1.00 0.00 C ATOM 0 H PHE A 48 7.386 -4.012 3.726 1.00 0.00 H new ATOM 0 HA PHE A 48 8.636 -3.635 1.089 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.705 -1.995 0.626 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.384 -3.705 0.412 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.093 -4.950 2.165 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.539 -0.714 2.273 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.203 -4.793 3.726 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.650 -0.554 3.836 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.477 -2.593 4.564 1.00 0.00 H new ATOM 629 N TYR A 49 8.911 -1.066 1.661 1.00 0.00 N ATOM 630 CA TYR A 49 9.487 0.180 2.154 1.00 0.00 C ATOM 631 C TYR A 49 8.624 1.374 1.757 1.00 0.00 C ATOM 632 O TYR A 49 7.966 1.360 0.717 1.00 0.00 O ATOM 633 CB TYR A 49 10.906 0.360 1.611 1.00 0.00 C ATOM 634 CG TYR A 49 11.949 -0.428 2.371 1.00 0.00 C ATOM 635 CD1 TYR A 49 12.089 -1.797 2.180 1.00 0.00 C ATOM 636 CD2 TYR A 49 12.794 0.196 3.280 1.00 0.00 C ATOM 637 CE1 TYR A 49 13.041 -2.521 2.872 1.00 0.00 C ATOM 638 CE2 TYR A 49 13.749 -0.520 3.976 1.00 0.00 C ATOM 639 CZ TYR A 49 13.868 -1.878 3.769 1.00 0.00 C ATOM 640 OH TYR A 49 14.817 -2.595 4.461 1.00 0.00 O ATOM 0 H TYR A 49 8.846 -1.128 0.645 1.00 0.00 H new ATOM 0 HA TYR A 49 9.525 0.128 3.242 1.00 0.00 H new ATOM 0 HB2 TYR A 49 10.926 0.058 0.564 1.00 0.00 H new ATOM 0 HB3 TYR A 49 11.167 1.418 1.643 1.00 0.00 H new ATOM 0 HD1 TYR A 49 11.443 -2.304 1.479 1.00 0.00 H new ATOM 0 HD2 TYR A 49 12.703 1.259 3.446 1.00 0.00 H new ATOM 0 HE1 TYR A 49 13.137 -3.585 2.711 1.00 0.00 H new ATOM 0 HE2 TYR A 49 14.399 -0.019 4.678 1.00 0.00 H new ATOM 0 HH TYR A 49 15.316 -1.992 5.051 1.00 0.00 H new ATOM 650 N ALA A 50 8.633 2.406 2.595 1.00 0.00 N ATOM 651 CA ALA A 50 7.854 3.609 2.332 1.00 0.00 C ATOM 652 C ALA A 50 8.762 4.817 2.126 1.00 0.00 C ATOM 653 O ALA A 50 9.437 5.264 3.053 1.00 0.00 O ATOM 654 CB ALA A 50 6.880 3.867 3.472 1.00 0.00 C ATOM 0 H ALA A 50 9.171 2.432 3.461 1.00 0.00 H new ATOM 0 HA ALA A 50 7.288 3.452 1.414 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.305 4.769 3.262 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.202 3.019 3.571 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.434 3.998 4.401 1.00 0.00 H new ATOM 660 N VAL A 51 8.774 5.341 0.905 1.00 0.00 N ATOM 661 CA VAL A 51 9.599 6.498 0.577 1.00 0.00 C ATOM 662 C VAL A 51 8.844 7.477 -0.315 1.00 0.00 C ATOM 663 O VAL A 51 8.471 7.145 -1.440 1.00 0.00 O ATOM 664 CB VAL A 51 10.902 6.076 -0.128 1.00 0.00 C ATOM 665 CG1 VAL A 51 11.728 7.298 -0.499 1.00 0.00 C ATOM 666 CG2 VAL A 51 11.702 5.128 0.752 1.00 0.00 C ATOM 0 H VAL A 51 8.222 4.983 0.126 1.00 0.00 H new ATOM 0 HA VAL A 51 9.847 6.988 1.519 1.00 0.00 H new ATOM 0 HB VAL A 51 10.643 5.550 -1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.645 6.980 -0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 51 11.153 7.935 -1.171 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.979 7.855 0.404 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.619 4.841 0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.952 5.625 1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.109 4.238 0.961 1.00 0.00 H new ATOM 676 N GLU A 52 8.624 8.684 0.194 1.00 0.00 N ATOM 677 CA GLU A 52 7.913 9.712 -0.557 1.00 0.00 C ATOM 678 C GLU A 52 6.468 9.295 -0.815 1.00 0.00 C ATOM 679 O GLU A 52 5.924 9.534 -1.894 1.00 0.00 O ATOM 680 CB GLU A 52 8.621 9.985 -1.886 1.00 0.00 C ATOM 681 CG GLU A 52 10.013 10.572 -1.724 1.00 0.00 C ATOM 682 CD GLU A 52 10.451 11.377 -2.932 1.00 0.00 C ATOM 683 OE1 GLU A 52 10.379 10.842 -4.059 1.00 0.00 O ATOM 684 OE2 GLU A 52 10.864 12.541 -2.752 1.00 0.00 O ATOM 0 H GLU A 52 8.928 8.975 1.123 1.00 0.00 H new ATOM 0 HA GLU A 52 7.909 10.625 0.039 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.692 9.054 -2.448 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.014 10.670 -2.478 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.034 11.210 -0.840 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.726 9.765 -1.552 1.00 0.00 H new ATOM 691 N ARG A 53 5.851 8.671 0.183 1.00 0.00 N ATOM 692 CA ARG A 53 4.470 8.219 0.065 1.00 0.00 C ATOM 693 C ARG A 53 4.335 7.165 -1.031 1.00 0.00 C ATOM 694 O ARG A 53 3.357 7.156 -1.779 1.00 0.00 O ATOM 695 CB ARG A 53 3.548 9.402 -0.234 1.00 0.00 C ATOM 696 CG ARG A 53 3.486 10.425 0.889 1.00 0.00 C ATOM 697 CD ARG A 53 2.587 9.954 2.022 1.00 0.00 C ATOM 698 NE ARG A 53 1.203 9.785 1.589 1.00 0.00 N ATOM 699 CZ ARG A 53 0.169 9.770 2.422 1.00 0.00 C ATOM 700 NH1 ARG A 53 0.362 9.913 3.726 1.00 0.00 N ATOM 701 NH2 ARG A 53 -1.062 9.613 1.952 1.00 0.00 N ATOM 0 H ARG A 53 6.286 8.467 1.083 1.00 0.00 H new ATOM 0 HA ARG A 53 4.178 7.771 1.015 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.887 9.895 -1.145 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.543 9.028 -0.429 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.490 10.608 1.272 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.116 11.373 0.499 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.962 9.008 2.413 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.626 10.675 2.839 1.00 0.00 H new ATOM 0 HE ARG A 53 1.020 9.672 0.592 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.306 10.035 4.091 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.434 9.901 4.364 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.215 9.504 0.950 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.855 9.602 2.593 1.00 0.00 H new ATOM 715 N ARG A 54 5.322 6.281 -1.119 1.00 0.00 N ATOM 716 CA ARG A 54 5.314 5.224 -2.124 1.00 0.00 C ATOM 717 C ARG A 54 5.618 3.870 -1.491 1.00 0.00 C ATOM 718 O ARG A 54 5.866 3.776 -0.290 1.00 0.00 O ATOM 719 CB ARG A 54 6.336 5.527 -3.222 1.00 0.00 C ATOM 720 CG ARG A 54 5.819 6.476 -4.291 1.00 0.00 C ATOM 721 CD ARG A 54 6.558 6.289 -5.606 1.00 0.00 C ATOM 722 NE ARG A 54 5.792 6.795 -6.742 1.00 0.00 N ATOM 723 CZ ARG A 54 6.344 7.192 -7.883 1.00 0.00 C ATOM 724 NH1 ARG A 54 7.659 7.143 -8.039 1.00 0.00 N ATOM 725 NH2 ARG A 54 5.579 7.640 -8.870 1.00 0.00 N ATOM 0 H ARG A 54 6.138 6.275 -0.507 1.00 0.00 H new ATOM 0 HA ARG A 54 4.318 5.184 -2.565 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.228 5.957 -2.767 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.638 4.592 -3.694 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.753 6.307 -4.444 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.933 7.505 -3.951 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.518 6.803 -5.558 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.770 5.230 -5.755 1.00 0.00 H new ATOM 0 HE ARG A 54 4.777 6.846 -6.654 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.250 6.800 -7.282 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.080 7.448 -8.916 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.567 7.680 -8.753 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.003 7.945 -9.746 1.00 0.00 H new ATOM 739 N ALA A 55 5.596 2.822 -2.309 1.00 0.00 N ATOM 740 CA ALA A 55 5.871 1.473 -1.830 1.00 0.00 C ATOM 741 C ALA A 55 6.948 0.800 -2.673 1.00 0.00 C ATOM 742 O ALA A 55 6.766 0.581 -3.871 1.00 0.00 O ATOM 743 CB ALA A 55 4.597 0.642 -1.836 1.00 0.00 C ATOM 0 H ALA A 55 5.391 2.882 -3.306 1.00 0.00 H new ATOM 0 HA ALA A 55 6.240 1.545 -0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.817 -0.363 -1.476 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.856 1.107 -1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.204 0.586 -2.851 1.00 0.00 H new ATOM 749 N TYR A 56 8.070 0.473 -2.041 1.00 0.00 N ATOM 750 CA TYR A 56 9.178 -0.173 -2.734 1.00 0.00 C ATOM 751 C TYR A 56 9.540 -1.497 -2.068 1.00 0.00 C ATOM 752 O TYR A 56 9.755 -1.558 -0.857 1.00 0.00 O ATOM 753 CB TYR A 56 10.398 0.749 -2.758 1.00 0.00 C ATOM 754 CG TYR A 56 10.188 2.012 -3.562 1.00 0.00 C ATOM 755 CD1 TYR A 56 10.368 2.020 -4.940 1.00 0.00 C ATOM 756 CD2 TYR A 56 9.807 3.197 -2.944 1.00 0.00 C ATOM 757 CE1 TYR A 56 10.177 3.172 -5.678 1.00 0.00 C ATOM 758 CE2 TYR A 56 9.613 4.353 -3.675 1.00 0.00 C ATOM 759 CZ TYR A 56 9.799 4.336 -5.041 1.00 0.00 C ATOM 760 OH TYR A 56 9.607 5.485 -5.773 1.00 0.00 O ATOM 0 H TYR A 56 8.236 0.645 -1.049 1.00 0.00 H new ATOM 0 HA TYR A 56 8.864 -0.376 -3.758 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.659 1.019 -1.735 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.247 0.203 -3.170 1.00 0.00 H new ATOM 0 HD1 TYR A 56 10.662 1.110 -5.442 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.660 3.214 -1.874 1.00 0.00 H new ATOM 0 HE1 TYR A 56 10.323 3.162 -6.748 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.317 5.266 -3.179 1.00 0.00 H new ATOM 0 HH TYR A 56 9.543 5.260 -6.725 1.00 0.00 H new ATOM 770 N CYS A 57 9.605 -2.556 -2.868 1.00 0.00 N ATOM 771 CA CYS A 57 9.940 -3.880 -2.359 1.00 0.00 C ATOM 772 C CYS A 57 11.413 -3.956 -1.970 1.00 0.00 C ATOM 773 O CYS A 57 12.266 -3.339 -2.607 1.00 0.00 O ATOM 774 CB CYS A 57 9.623 -4.948 -3.408 1.00 0.00 C ATOM 775 SG CYS A 57 10.646 -4.841 -4.911 1.00 0.00 S ATOM 0 H CYS A 57 9.430 -2.523 -3.872 1.00 0.00 H new ATOM 0 HA CYS A 57 9.337 -4.063 -1.470 1.00 0.00 H new ATOM 0 HB2 CYS A 57 9.756 -5.933 -2.960 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.573 -4.865 -3.689 1.00 0.00 H new ATOM 0 HG CYS A 57 9.877 -4.830 -5.959 1.00 0.00 H new ATOM 780 N GLU A 58 11.704 -4.717 -0.919 1.00 0.00 N ATOM 781 CA GLU A 58 13.074 -4.873 -0.445 1.00 0.00 C ATOM 782 C GLU A 58 14.055 -4.892 -1.613 1.00 0.00 C ATOM 783 O GLU A 58 15.016 -4.124 -1.644 1.00 0.00 O ATOM 784 CB GLU A 58 13.211 -6.159 0.372 1.00 0.00 C ATOM 785 CG GLU A 58 14.645 -6.491 0.749 1.00 0.00 C ATOM 786 CD GLU A 58 15.383 -7.226 -0.352 1.00 0.00 C ATOM 787 OE1 GLU A 58 14.868 -8.264 -0.820 1.00 0.00 O ATOM 788 OE2 GLU A 58 16.474 -6.766 -0.747 1.00 0.00 O ATOM 0 H GLU A 58 11.010 -5.235 -0.380 1.00 0.00 H new ATOM 0 HA GLU A 58 13.311 -4.020 0.191 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.617 -6.067 1.281 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.793 -6.988 -0.199 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.177 -5.569 0.985 1.00 0.00 H new ATOM 0 HG3 GLU A 58 14.647 -7.101 1.652 1.00 0.00 H new ATOM 795 N GLY A 59 13.806 -5.777 -2.573 1.00 0.00 N ATOM 796 CA GLY A 59 14.676 -5.881 -3.730 1.00 0.00 C ATOM 797 C GLY A 59 14.983 -4.532 -4.348 1.00 0.00 C ATOM 798 O GLY A 59 16.147 -4.150 -4.477 1.00 0.00 O ATOM 0 H GLY A 59 13.017 -6.424 -2.570 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.608 -6.364 -3.437 1.00 0.00 H new ATOM 0 HA3 GLY A 59 14.207 -6.521 -4.477 1.00 0.00 H new ATOM 802 N CYS A 60 13.938 -3.807 -4.733 1.00 0.00 N ATOM 803 CA CYS A 60 14.101 -2.493 -5.343 1.00 0.00 C ATOM 804 C CYS A 60 14.808 -1.535 -4.389 1.00 0.00 C ATOM 805 O CYS A 60 15.882 -1.016 -4.697 1.00 0.00 O ATOM 806 CB CYS A 60 12.739 -1.920 -5.741 1.00 0.00 C ATOM 807 SG CYS A 60 12.118 -2.525 -7.343 1.00 0.00 S ATOM 0 H CYS A 60 12.968 -4.108 -4.633 1.00 0.00 H new ATOM 0 HA CYS A 60 14.715 -2.608 -6.236 1.00 0.00 H new ATOM 0 HB2 CYS A 60 12.013 -2.165 -4.966 1.00 0.00 H new ATOM 0 HB3 CYS A 60 12.811 -0.833 -5.778 1.00 0.00 H new ATOM 0 HG CYS A 60 11.364 -3.566 -7.151 1.00 0.00 H new ATOM 812 N TYR A 61 14.200 -1.304 -3.231 1.00 0.00 N ATOM 813 CA TYR A 61 14.770 -0.407 -2.234 1.00 0.00 C ATOM 814 C TYR A 61 16.285 -0.568 -2.159 1.00 0.00 C ATOM 815 O TYR A 61 17.022 0.413 -2.057 1.00 0.00 O ATOM 816 CB TYR A 61 14.149 -0.675 -0.862 1.00 0.00 C ATOM 817 CG TYR A 61 14.687 0.219 0.232 1.00 0.00 C ATOM 818 CD1 TYR A 61 14.118 1.462 0.483 1.00 0.00 C ATOM 819 CD2 TYR A 61 15.765 -0.178 1.013 1.00 0.00 C ATOM 820 CE1 TYR A 61 14.607 2.283 1.481 1.00 0.00 C ATOM 821 CE2 TYR A 61 16.260 0.636 2.014 1.00 0.00 C ATOM 822 CZ TYR A 61 15.678 1.865 2.244 1.00 0.00 C ATOM 823 OH TYR A 61 16.168 2.679 3.239 1.00 0.00 O ATOM 0 H TYR A 61 13.312 -1.726 -2.960 1.00 0.00 H new ATOM 0 HA TYR A 61 14.546 0.617 -2.533 1.00 0.00 H new ATOM 0 HB2 TYR A 61 13.069 -0.543 -0.929 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.326 -1.715 -0.589 1.00 0.00 H new ATOM 0 HD1 TYR A 61 13.279 1.792 -0.112 1.00 0.00 H new ATOM 0 HD2 TYR A 61 16.224 -1.139 0.835 1.00 0.00 H new ATOM 0 HE1 TYR A 61 14.154 3.246 1.663 1.00 0.00 H new ATOM 0 HE2 TYR A 61 17.098 0.312 2.613 1.00 0.00 H new ATOM 0 HH TYR A 61 16.922 2.236 3.682 1.00 0.00 H new ATOM 833 N VAL A 62 16.745 -1.815 -2.210 1.00 0.00 N ATOM 834 CA VAL A 62 18.172 -2.107 -2.150 1.00 0.00 C ATOM 835 C VAL A 62 18.851 -1.808 -3.481 1.00 0.00 C ATOM 836 O VAL A 62 19.958 -1.273 -3.519 1.00 0.00 O ATOM 837 CB VAL A 62 18.428 -3.578 -1.774 1.00 0.00 C ATOM 838 CG1 VAL A 62 19.919 -3.879 -1.781 1.00 0.00 C ATOM 839 CG2 VAL A 62 17.818 -3.896 -0.417 1.00 0.00 C ATOM 0 H VAL A 62 16.149 -2.639 -2.293 1.00 0.00 H new ATOM 0 HA VAL A 62 18.595 -1.464 -1.378 1.00 0.00 H new ATOM 0 HB VAL A 62 17.949 -4.213 -2.519 1.00 0.00 H new ATOM 0 HG11 VAL A 62 20.081 -4.923 -1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 62 20.323 -3.693 -2.776 1.00 0.00 H new ATOM 0 HG13 VAL A 62 20.423 -3.237 -1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 62 18.009 -4.940 -0.168 1.00 0.00 H new ATOM 0 HG22 VAL A 62 18.265 -3.254 0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 62 16.743 -3.722 -0.452 1.00 0.00 H new ATOM 849 N ALA A 63 18.178 -2.157 -4.573 1.00 0.00 N ATOM 850 CA ALA A 63 18.715 -1.924 -5.908 1.00 0.00 C ATOM 851 C ALA A 63 18.951 -0.437 -6.153 1.00 0.00 C ATOM 852 O ALA A 63 19.937 -0.049 -6.782 1.00 0.00 O ATOM 853 CB ALA A 63 17.776 -2.491 -6.962 1.00 0.00 C ATOM 0 H ALA A 63 17.260 -2.602 -4.559 1.00 0.00 H new ATOM 0 HA ALA A 63 19.675 -2.435 -5.980 1.00 0.00 H new ATOM 0 HB1 ALA A 63 18.190 -2.309 -7.954 1.00 0.00 H new ATOM 0 HB2 ALA A 63 17.661 -3.564 -6.808 1.00 0.00 H new ATOM 0 HB3 ALA A 63 16.803 -2.006 -6.881 1.00 0.00 H new ATOM 859 N THR A 64 18.040 0.392 -5.653 1.00 0.00 N ATOM 860 CA THR A 64 18.149 1.836 -5.819 1.00 0.00 C ATOM 861 C THR A 64 19.411 2.373 -5.154 1.00 0.00 C ATOM 862 O THR A 64 20.074 3.265 -5.686 1.00 0.00 O ATOM 863 CB THR A 64 16.924 2.562 -5.232 1.00 0.00 C ATOM 864 OG1 THR A 64 16.852 2.337 -3.820 1.00 0.00 O ATOM 865 CG2 THR A 64 15.641 2.082 -5.894 1.00 0.00 C ATOM 0 H THR A 64 17.219 0.088 -5.130 1.00 0.00 H new ATOM 0 HA THR A 64 18.198 2.028 -6.891 1.00 0.00 H new ATOM 0 HB THR A 64 17.035 3.629 -5.424 1.00 0.00 H new ATOM 0 HG1 THR A 64 16.939 1.378 -3.637 1.00 0.00 H new ATOM 0 HG21 THR A 64 14.790 2.609 -5.463 1.00 0.00 H new ATOM 0 HG22 THR A 64 15.687 2.282 -6.965 1.00 0.00 H new ATOM 0 HG23 THR A 64 15.526 1.011 -5.730 1.00 0.00 H new ATOM 873 N LEU A 65 19.739 1.825 -3.990 1.00 0.00 N ATOM 874 CA LEU A 65 20.924 2.249 -3.251 1.00 0.00 C ATOM 875 C LEU A 65 22.191 1.991 -4.061 1.00 0.00 C ATOM 876 O LEU A 65 23.020 2.883 -4.233 1.00 0.00 O ATOM 877 CB LEU A 65 21.003 1.516 -1.911 1.00 0.00 C ATOM 878 CG LEU A 65 19.797 1.679 -0.985 1.00 0.00 C ATOM 879 CD1 LEU A 65 19.781 0.581 0.068 1.00 0.00 C ATOM 880 CD2 LEU A 65 19.811 3.051 -0.328 1.00 0.00 C ATOM 0 H LEU A 65 19.202 1.086 -3.537 1.00 0.00 H new ATOM 0 HA LEU A 65 20.844 3.320 -3.067 1.00 0.00 H new ATOM 0 HB2 LEU A 65 21.143 0.453 -2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 65 21.891 1.862 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 65 18.889 1.594 -1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 65 18.916 0.713 0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 65 19.722 -0.391 -0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 65 20.693 0.634 0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 65 18.946 3.149 0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 65 20.724 3.165 0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 65 19.774 3.823 -1.097 1.00 0.00 H new ATOM 892 N GLU A 66 22.331 0.765 -4.555 1.00 0.00 N ATOM 893 CA GLU A 66 23.497 0.391 -5.348 1.00 0.00 C ATOM 894 C GLU A 66 23.505 1.127 -6.684 1.00 0.00 C ATOM 895 O GLU A 66 24.525 1.681 -7.094 1.00 0.00 O ATOM 896 CB GLU A 66 23.516 -1.121 -5.585 1.00 0.00 C ATOM 897 CG GLU A 66 22.286 -1.638 -6.312 1.00 0.00 C ATOM 898 CD GLU A 66 22.353 -3.129 -6.583 1.00 0.00 C ATOM 899 OE1 GLU A 66 23.476 -3.660 -6.706 1.00 0.00 O ATOM 900 OE2 GLU A 66 21.281 -3.763 -6.671 1.00 0.00 O ATOM 0 H GLU A 66 21.653 0.015 -4.421 1.00 0.00 H new ATOM 0 HA GLU A 66 24.390 0.675 -4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 66 24.404 -1.379 -6.162 1.00 0.00 H new ATOM 0 HB3 GLU A 66 23.601 -1.630 -4.625 1.00 0.00 H new ATOM 0 HG2 GLU A 66 21.399 -1.420 -5.718 1.00 0.00 H new ATOM 0 HG3 GLU A 66 22.176 -1.105 -7.257 1.00 0.00 H new