USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 447 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 58 ASN : amide:sc= 1.09 K(o=1.3,f=-14!) USER MOD Set 1.2: A 60 LYS NZ :NH3+ 175:sc= 0.22! (180deg=-1.65!) USER MOD Set 2.1: A 6 GLN : amide:sc= 0.626 K(o=1.9,f=1.2) USER MOD Set 2.2: A 34 TYR OH : rot 21:sc= 1.23 USER MOD Set 3.1: A 16 THR OG1 : rot -55:sc= 0.288 USER MOD Set 3.2: A 19 SER OG : rot 44:sc= -0.502! USER MOD Set 3.3: A 51 THR OG1 : rot -78:sc= -1.04 USER MOD Single : A 1 PHE N :NH3+ -133:sc= -0.297 (180deg=-1.7!) USER MOD Single : A 7 GLN : amide:sc= 0.351 K(o=0.35,f=-6.1!) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0836 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 18 ASN : amide:sc= 1.17 K(o=1.2,f=-0.15) USER MOD Single : A 21 LYS NZ :NH3+ -166:sc= 2.24 (180deg=1.87) USER MOD Single : A 28 SER OG : rot -26:sc= 0.123 USER MOD Single : A 39 GLN : amide:sc= -0.607 K(o=-0.61,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -175:sc= -0.0139 (180deg=-0.385) USER MOD Single : A 41 ASN : amide:sc= -1.05 K(o=-1,f=-3.8!) USER MOD Single : A 46 LYS NZ :NH3+ -176:sc= 0.338 (180deg=0.254) USER MOD Single : A 48 LYS NZ :NH3+ 163:sc= 0.544 (180deg=-0.176!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 5.213 3.407 6.028 1.00 0.00 N ATOM 2 CA PHE A 1 4.825 3.312 4.618 1.00 0.00 C ATOM 3 C PHE A 1 4.073 4.543 4.140 1.00 0.00 C ATOM 4 O PHE A 1 4.305 5.029 3.039 1.00 0.00 O ATOM 5 CB PHE A 1 4.139 1.984 4.258 1.00 0.00 C ATOM 6 CG PHE A 1 2.987 1.538 5.122 1.00 0.00 C ATOM 7 CD1 PHE A 1 3.213 0.813 6.282 1.00 0.00 C ATOM 8 CD2 PHE A 1 1.682 1.803 4.750 1.00 0.00 C ATOM 9 CE1 PHE A 1 2.160 0.366 7.053 1.00 0.00 C ATOM 10 CE2 PHE A 1 0.630 1.365 5.513 1.00 0.00 C ATOM 11 CZ PHE A 1 0.867 0.643 6.668 1.00 0.00 C ATOM 0 H1 PHE A 1 6.210 3.131 6.133 1.00 0.00 H new ATOM 0 H2 PHE A 1 5.089 4.386 6.357 1.00 0.00 H new ATOM 0 H3 PHE A 1 4.616 2.772 6.596 1.00 0.00 H new ATOM 0 HA PHE A 1 5.755 3.297 4.050 1.00 0.00 H new ATOM 0 HB2 PHE A 1 3.780 2.058 3.231 1.00 0.00 H new ATOM 0 HB3 PHE A 1 4.895 1.199 4.275 1.00 0.00 H new ATOM 0 HD1 PHE A 1 4.226 0.595 6.586 1.00 0.00 H new ATOM 0 HD2 PHE A 1 1.489 2.362 3.847 1.00 0.00 H new ATOM 0 HE1 PHE A 1 2.349 -0.198 7.954 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -0.384 1.584 5.212 1.00 0.00 H new ATOM 0 HZ PHE A 1 0.039 0.296 7.268 1.00 0.00 H new ATOM 21 N CYS A 2 3.183 5.032 4.942 1.00 0.00 N ATOM 22 CA CYS A 2 2.547 6.289 4.680 1.00 0.00 C ATOM 23 C CYS A 2 2.857 7.279 5.802 1.00 0.00 C ATOM 24 O CYS A 2 2.929 8.483 5.578 1.00 0.00 O ATOM 25 CB CYS A 2 1.040 6.117 4.518 1.00 0.00 C ATOM 26 SG CYS A 2 0.555 5.093 3.098 1.00 0.00 S ATOM 0 H CYS A 2 2.874 4.573 5.799 1.00 0.00 H new ATOM 0 HA CYS A 2 2.941 6.684 3.744 1.00 0.00 H new ATOM 0 HB2 CYS A 2 0.637 5.671 5.427 1.00 0.00 H new ATOM 0 HB3 CYS A 2 0.582 7.101 4.415 1.00 0.00 H new ATOM 31 N GLU A 3 3.084 6.730 6.983 1.00 0.00 N ATOM 32 CA GLU A 3 3.298 7.448 8.249 1.00 0.00 C ATOM 33 C GLU A 3 4.389 8.515 8.145 1.00 0.00 C ATOM 34 O GLU A 3 4.151 9.690 8.362 1.00 0.00 O ATOM 35 CB GLU A 3 3.699 6.467 9.384 1.00 0.00 C ATOM 36 CG GLU A 3 2.913 5.147 9.466 1.00 0.00 C ATOM 37 CD GLU A 3 3.317 4.144 8.394 1.00 0.00 C ATOM 38 OE1 GLU A 3 4.310 3.455 8.550 1.00 0.00 O ATOM 39 OE2 GLU A 3 2.689 4.109 7.323 1.00 0.00 O ATOM 0 H GLU A 3 3.128 5.718 7.102 1.00 0.00 H new ATOM 0 HA GLU A 3 2.349 7.933 8.476 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.756 6.227 9.269 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.592 6.986 10.336 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.065 4.701 10.449 1.00 0.00 H new ATOM 0 HG3 GLU A 3 1.848 5.359 9.374 1.00 0.00 H new ATOM 46 N ARG A 4 5.574 8.097 7.836 1.00 0.00 N ATOM 47 CA ARG A 4 6.687 8.984 7.757 1.00 0.00 C ATOM 48 C ARG A 4 6.870 9.506 6.347 1.00 0.00 C ATOM 49 O ARG A 4 7.160 10.691 6.138 1.00 0.00 O ATOM 50 CB ARG A 4 7.958 8.303 8.360 1.00 0.00 C ATOM 51 CG ARG A 4 9.350 8.913 8.037 1.00 0.00 C ATOM 52 CD ARG A 4 9.419 10.440 8.132 1.00 0.00 C ATOM 53 NE ARG A 4 8.878 11.008 9.375 1.00 0.00 N ATOM 54 CZ ARG A 4 8.118 12.128 9.404 1.00 0.00 C ATOM 55 NH1 ARG A 4 7.648 12.640 8.262 1.00 0.00 N ATOM 56 NH2 ARG A 4 7.782 12.691 10.566 1.00 0.00 N ATOM 0 H ARG A 4 5.797 7.123 7.630 1.00 0.00 H new ATOM 0 HA ARG A 4 6.497 9.869 8.364 1.00 0.00 H new ATOM 0 HB2 ARG A 4 7.845 8.291 9.444 1.00 0.00 H new ATOM 0 HB3 ARG A 4 7.966 7.265 8.029 1.00 0.00 H new ATOM 0 HG2 ARG A 4 10.085 8.487 8.720 1.00 0.00 H new ATOM 0 HG3 ARG A 4 9.638 8.612 7.030 1.00 0.00 H new ATOM 0 HD2 ARG A 4 10.459 10.749 8.031 1.00 0.00 H new ATOM 0 HD3 ARG A 4 8.877 10.867 7.288 1.00 0.00 H new ATOM 0 HE ARG A 4 9.085 10.537 10.256 1.00 0.00 H new ATOM 0 HH11 ARG A 4 7.862 12.187 7.374 1.00 0.00 H new ATOM 0 HH12 ARG A 4 7.075 13.484 8.279 1.00 0.00 H new ATOM 0 HH21 ARG A 4 8.098 12.278 11.443 1.00 0.00 H new ATOM 0 HH22 ARG A 4 7.209 13.535 10.577 1.00 0.00 H new ATOM 70 N GLU A 5 6.668 8.640 5.425 1.00 0.00 N ATOM 71 CA GLU A 5 6.838 8.881 4.039 1.00 0.00 C ATOM 72 C GLU A 5 5.898 9.970 3.480 1.00 0.00 C ATOM 73 O GLU A 5 6.303 10.748 2.633 1.00 0.00 O ATOM 74 CB GLU A 5 6.705 7.553 3.281 1.00 0.00 C ATOM 75 CG GLU A 5 7.666 6.454 3.795 1.00 0.00 C ATOM 76 CD GLU A 5 7.161 5.619 4.987 1.00 0.00 C ATOM 77 OE1 GLU A 5 6.337 6.103 5.817 1.00 0.00 O ATOM 78 OE2 GLU A 5 7.529 4.446 5.084 1.00 0.00 O ATOM 0 H GLU A 5 6.362 7.688 5.628 1.00 0.00 H new ATOM 0 HA GLU A 5 7.839 9.286 3.889 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.678 7.196 3.365 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.896 7.727 2.222 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.886 5.777 2.970 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.606 6.926 4.080 1.00 0.00 H new ATOM 85 N GLN A 6 4.655 10.035 3.955 1.00 0.00 N ATOM 86 CA GLN A 6 3.707 11.033 3.442 1.00 0.00 C ATOM 87 C GLN A 6 3.063 11.792 4.574 1.00 0.00 C ATOM 88 O GLN A 6 2.457 12.836 4.366 1.00 0.00 O ATOM 89 CB GLN A 6 2.583 10.325 2.713 1.00 0.00 C ATOM 90 CG GLN A 6 2.992 9.495 1.540 1.00 0.00 C ATOM 91 CD GLN A 6 3.434 10.330 0.348 1.00 0.00 C ATOM 92 OE1 GLN A 6 2.621 10.693 -0.485 1.00 0.00 O ATOM 93 NE2 GLN A 6 4.701 10.640 0.259 1.00 0.00 N ATOM 0 H GLN A 6 4.282 9.423 4.681 1.00 0.00 H new ATOM 0 HA GLN A 6 4.259 11.710 2.790 1.00 0.00 H new ATOM 0 HB2 GLN A 6 2.061 9.684 3.424 1.00 0.00 H new ATOM 0 HB3 GLN A 6 1.867 11.073 2.373 1.00 0.00 H new ATOM 0 HG2 GLN A 6 3.807 8.834 1.836 1.00 0.00 H new ATOM 0 HG3 GLN A 6 2.158 8.860 1.243 1.00 0.00 H new ATOM 0 HE21 GLN A 6 5.356 10.320 0.973 1.00 0.00 H new ATOM 0 HE22 GLN A 6 5.035 11.201 -0.524 1.00 0.00 H new ATOM 102 N GLN A 7 3.201 11.246 5.769 1.00 0.00 N ATOM 103 CA GLN A 7 2.480 11.667 6.935 1.00 0.00 C ATOM 104 C GLN A 7 0.981 11.434 6.790 1.00 0.00 C ATOM 105 O GLN A 7 0.158 12.057 7.453 1.00 0.00 O ATOM 106 CB GLN A 7 2.857 13.053 7.409 1.00 0.00 C ATOM 107 CG GLN A 7 4.256 13.073 7.968 1.00 0.00 C ATOM 108 CD GLN A 7 4.720 14.441 8.433 1.00 0.00 C ATOM 109 OE1 GLN A 7 5.917 14.736 8.419 1.00 0.00 O ATOM 110 NE2 GLN A 7 3.802 15.277 8.853 1.00 0.00 N ATOM 0 H GLN A 7 3.841 10.473 5.950 1.00 0.00 H new ATOM 0 HA GLN A 7 2.799 11.021 7.753 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.783 13.757 6.580 1.00 0.00 H new ATOM 0 HB3 GLN A 7 2.152 13.384 8.172 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.310 12.379 8.807 1.00 0.00 H new ATOM 0 HG3 GLN A 7 4.945 12.707 7.207 1.00 0.00 H new ATOM 0 HE21 GLN A 7 2.820 15.000 8.851 1.00 0.00 H new ATOM 0 HE22 GLN A 7 4.069 16.205 9.182 1.00 0.00 H new ATOM 119 N LEU A 8 0.667 10.467 5.965 1.00 0.00 N ATOM 120 CA LEU A 8 -0.661 10.024 5.739 1.00 0.00 C ATOM 121 C LEU A 8 -0.920 8.864 6.579 1.00 0.00 C ATOM 122 O LEU A 8 -0.005 8.144 6.989 1.00 0.00 O ATOM 123 CB LEU A 8 -0.883 9.651 4.282 1.00 0.00 C ATOM 124 CG LEU A 8 -1.006 10.811 3.333 1.00 0.00 C ATOM 125 CD1 LEU A 8 -0.867 10.341 1.889 1.00 0.00 C ATOM 126 CD2 LEU A 8 -2.344 11.517 3.525 1.00 0.00 C ATOM 0 H LEU A 8 1.362 9.957 5.420 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.343 10.837 5.986 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.055 9.022 3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.789 9.048 4.212 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.202 11.515 3.550 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.959 11.195 1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.108 9.874 1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.651 9.617 1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.417 12.354 2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.156 10.816 3.334 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.417 11.887 4.548 1.00 0.00 H new ATOM 138 N GLU A 9 -2.139 8.680 6.826 1.00 0.00 N ATOM 139 CA GLU A 9 -2.590 7.565 7.589 1.00 0.00 C ATOM 140 C GLU A 9 -2.539 6.371 6.667 1.00 0.00 C ATOM 141 O GLU A 9 -2.539 6.527 5.446 1.00 0.00 O ATOM 142 CB GLU A 9 -4.002 7.806 8.056 1.00 0.00 C ATOM 143 CG GLU A 9 -4.554 6.805 9.051 1.00 0.00 C ATOM 144 CD GLU A 9 -6.005 7.073 9.312 1.00 0.00 C ATOM 145 OE1 GLU A 9 -6.326 7.925 10.160 1.00 0.00 O ATOM 146 OE2 GLU A 9 -6.845 6.513 8.596 1.00 0.00 O ATOM 0 H GLU A 9 -2.884 9.300 6.507 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.971 7.405 8.472 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.051 8.798 8.504 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.655 7.818 7.183 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.428 5.793 8.666 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.993 6.863 9.984 1.00 0.00 H new ATOM 153 N SER A 10 -2.432 5.246 7.211 1.00 0.00 N ATOM 154 CA SER A 10 -2.352 4.058 6.495 1.00 0.00 C ATOM 155 C SER A 10 -3.717 3.426 6.284 1.00 0.00 C ATOM 156 O SER A 10 -4.639 3.668 7.051 1.00 0.00 O ATOM 157 CB SER A 10 -1.548 3.189 7.352 1.00 0.00 C ATOM 158 OG SER A 10 -2.182 3.026 8.623 1.00 0.00 O ATOM 0 H SER A 10 -2.395 5.117 8.222 1.00 0.00 H new ATOM 0 HA SER A 10 -1.933 4.219 5.502 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.416 2.217 6.876 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.554 3.616 7.485 1.00 0.00 H new ATOM 0 HG SER A 10 -1.636 2.441 9.188 1.00 0.00 H new ATOM 164 N CYS A 11 -3.825 2.608 5.277 1.00 0.00 N ATOM 165 CA CYS A 11 -5.008 1.825 5.054 1.00 0.00 C ATOM 166 C CYS A 11 -4.614 0.692 4.120 1.00 0.00 C ATOM 167 O CYS A 11 -3.453 0.599 3.726 1.00 0.00 O ATOM 168 CB CYS A 11 -6.207 2.652 4.482 1.00 0.00 C ATOM 169 SG CYS A 11 -7.783 1.700 4.482 1.00 0.00 S ATOM 0 H CYS A 11 -3.091 2.464 4.583 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.374 1.445 6.008 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -6.334 3.559 5.073 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.975 2.965 3.464 1.00 0.00 H new ATOM 174 N ALA A 12 -5.532 -0.146 3.779 1.00 0.00 N ATOM 175 CA ALA A 12 -5.262 -1.257 2.924 1.00 0.00 C ATOM 176 C ALA A 12 -6.278 -1.268 1.825 1.00 0.00 C ATOM 177 O ALA A 12 -7.457 -1.005 2.066 1.00 0.00 O ATOM 178 CB ALA A 12 -5.323 -2.552 3.716 1.00 0.00 C ATOM 0 H ALA A 12 -6.502 -0.081 4.088 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.262 -1.167 2.499 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.116 -3.393 3.055 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.581 -2.526 4.514 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.317 -2.667 4.149 1.00 0.00 H new ATOM 184 N CYS A 13 -5.840 -1.500 0.632 1.00 0.00 N ATOM 185 CA CYS A 13 -6.725 -1.577 -0.469 1.00 0.00 C ATOM 186 C CYS A 13 -7.408 -2.942 -0.472 1.00 0.00 C ATOM 187 O CYS A 13 -6.749 -3.970 -0.438 1.00 0.00 O ATOM 188 CB CYS A 13 -5.958 -1.278 -1.753 1.00 0.00 C ATOM 189 SG CYS A 13 -5.218 0.420 -1.763 1.00 0.00 S ATOM 0 H CYS A 13 -4.857 -1.641 0.399 1.00 0.00 H new ATOM 0 HA CYS A 13 -7.515 -0.830 -0.393 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.166 -2.016 -1.879 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -6.629 -1.383 -2.605 1.00 0.00 H new ATOM 194 N ASN A 14 -8.746 -2.915 -0.444 1.00 0.00 N ATOM 195 CA ASN A 14 -9.605 -4.128 -0.374 1.00 0.00 C ATOM 196 C ASN A 14 -9.438 -5.009 -1.617 1.00 0.00 C ATOM 197 O ASN A 14 -9.782 -6.177 -1.624 1.00 0.00 O ATOM 198 CB ASN A 14 -11.075 -3.702 -0.256 1.00 0.00 C ATOM 199 CG ASN A 14 -12.037 -4.859 0.032 1.00 0.00 C ATOM 200 OD1 ASN A 14 -11.697 -5.814 0.704 1.00 0.00 O ATOM 201 ND2 ASN A 14 -13.246 -4.770 -0.478 1.00 0.00 N ATOM 0 H ASN A 14 -9.279 -2.046 -0.469 1.00 0.00 H new ATOM 0 HA ASN A 14 -9.302 -4.707 0.499 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.165 -2.961 0.539 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.377 -3.214 -1.183 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -13.925 -5.513 -0.313 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -13.505 -3.958 -1.038 1.00 0.00 H new ATOM 208 N GLU A 15 -8.958 -4.413 -2.670 1.00 0.00 N ATOM 209 CA GLU A 15 -8.701 -5.097 -3.874 1.00 0.00 C ATOM 210 C GLU A 15 -7.482 -6.040 -3.649 1.00 0.00 C ATOM 211 O GLU A 15 -6.527 -5.666 -2.976 1.00 0.00 O ATOM 212 CB GLU A 15 -8.489 -4.050 -4.996 1.00 0.00 C ATOM 213 CG GLU A 15 -8.472 -4.573 -6.433 1.00 0.00 C ATOM 214 CD GLU A 15 -7.258 -5.382 -6.721 1.00 0.00 C ATOM 215 OE1 GLU A 15 -6.170 -4.813 -6.666 1.00 0.00 O ATOM 216 OE2 GLU A 15 -7.372 -6.602 -6.926 1.00 0.00 O ATOM 0 H GLU A 15 -8.735 -3.418 -2.702 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.535 -5.726 -4.185 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.278 -3.302 -4.916 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.545 -3.539 -4.809 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.361 -5.179 -6.608 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.519 -3.732 -7.125 1.00 0.00 H new ATOM 223 N THR A 16 -7.546 -7.228 -4.212 1.00 0.00 N ATOM 224 CA THR A 16 -6.547 -8.268 -4.032 1.00 0.00 C ATOM 225 C THR A 16 -5.132 -7.844 -4.408 1.00 0.00 C ATOM 226 O THR A 16 -4.200 -8.013 -3.614 1.00 0.00 O ATOM 227 CB THR A 16 -6.936 -9.528 -4.822 1.00 0.00 C ATOM 228 OG1 THR A 16 -8.135 -10.086 -4.247 1.00 0.00 O ATOM 229 CG2 THR A 16 -5.812 -10.564 -4.798 1.00 0.00 C ATOM 0 H THR A 16 -8.313 -7.507 -4.824 1.00 0.00 H new ATOM 0 HA THR A 16 -6.532 -8.479 -2.963 1.00 0.00 H new ATOM 0 HB THR A 16 -7.112 -9.254 -5.862 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.995 -10.246 -3.290 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.116 -11.444 -5.365 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.914 -10.137 -5.245 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.603 -10.851 -3.767 1.00 0.00 H new ATOM 237 N ASP A 17 -4.960 -7.290 -5.560 1.00 0.00 N ATOM 238 CA ASP A 17 -3.629 -6.957 -6.004 1.00 0.00 C ATOM 239 C ASP A 17 -3.116 -5.766 -5.223 1.00 0.00 C ATOM 240 O ASP A 17 -1.936 -5.703 -4.824 1.00 0.00 O ATOM 241 CB ASP A 17 -3.622 -6.638 -7.477 1.00 0.00 C ATOM 242 CG ASP A 17 -2.244 -6.284 -8.002 1.00 0.00 C ATOM 243 OD1 ASP A 17 -1.403 -7.200 -8.188 1.00 0.00 O ATOM 244 OD2 ASP A 17 -1.970 -5.100 -8.235 1.00 0.00 O ATOM 0 H ASP A 17 -5.708 -7.056 -6.213 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.980 -7.816 -5.832 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.006 -7.495 -8.030 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -4.301 -5.807 -7.666 1.00 0.00 H new ATOM 249 N ASN A 18 -4.016 -4.849 -4.938 1.00 0.00 N ATOM 250 CA ASN A 18 -3.678 -3.665 -4.231 1.00 0.00 C ATOM 251 C ASN A 18 -3.559 -3.882 -2.759 1.00 0.00 C ATOM 252 O ASN A 18 -3.165 -2.980 -2.029 1.00 0.00 O ATOM 253 CB ASN A 18 -4.581 -2.495 -4.591 1.00 0.00 C ATOM 254 CG ASN A 18 -4.272 -1.930 -5.970 1.00 0.00 C ATOM 255 OD1 ASN A 18 -3.496 -0.982 -6.104 1.00 0.00 O ATOM 256 ND2 ASN A 18 -4.816 -2.528 -7.000 1.00 0.00 N ATOM 0 H ASN A 18 -5.000 -4.918 -5.197 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.679 -3.386 -4.565 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.621 -2.818 -4.558 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.468 -1.709 -3.845 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.601 -2.212 -7.946 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.455 -3.310 -6.857 1.00 0.00 H new ATOM 263 N SER A 19 -3.834 -5.085 -2.302 1.00 0.00 N ATOM 264 CA SER A 19 -3.601 -5.371 -0.909 1.00 0.00 C ATOM 265 C SER A 19 -2.089 -5.559 -0.613 1.00 0.00 C ATOM 266 O SER A 19 -1.684 -5.820 0.537 1.00 0.00 O ATOM 267 CB SER A 19 -4.516 -6.493 -0.331 1.00 0.00 C ATOM 268 OG SER A 19 -4.435 -7.715 -1.028 1.00 0.00 O ATOM 0 H SER A 19 -4.207 -5.856 -2.856 1.00 0.00 H new ATOM 0 HA SER A 19 -3.911 -4.487 -0.352 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.250 -6.663 0.712 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.550 -6.147 -0.344 1.00 0.00 H new ATOM 0 HG SER A 19 -3.496 -7.922 -1.218 1.00 0.00 H new ATOM 274 N CYS A 20 -1.245 -5.434 -1.657 1.00 0.00 N ATOM 275 CA CYS A 20 0.187 -5.377 -1.437 1.00 0.00 C ATOM 276 C CYS A 20 0.715 -3.994 -1.779 1.00 0.00 C ATOM 277 O CYS A 20 1.918 -3.753 -1.839 1.00 0.00 O ATOM 278 CB CYS A 20 0.994 -6.441 -2.175 1.00 0.00 C ATOM 279 SG CYS A 20 2.658 -6.572 -1.472 1.00 0.00 S ATOM 0 H CYS A 20 -1.535 -5.373 -2.633 1.00 0.00 H new ATOM 0 HA CYS A 20 0.324 -5.591 -0.377 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.487 -7.403 -2.107 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.058 -6.189 -3.233 1.00 0.00 H new ATOM 284 N LYS A 21 -0.161 -3.073 -1.978 1.00 0.00 N ATOM 285 CA LYS A 21 0.257 -1.752 -2.185 1.00 0.00 C ATOM 286 C LYS A 21 0.101 -1.001 -0.976 1.00 0.00 C ATOM 287 O LYS A 21 -0.712 -1.308 -0.098 1.00 0.00 O ATOM 288 CB LYS A 21 -0.405 -1.050 -3.376 1.00 0.00 C ATOM 289 CG LYS A 21 0.186 -1.384 -4.735 1.00 0.00 C ATOM 290 CD LYS A 21 -0.179 -2.756 -5.250 1.00 0.00 C ATOM 291 CE LYS A 21 0.525 -3.031 -6.564 1.00 0.00 C ATOM 292 NZ LYS A 21 0.188 -4.351 -7.115 1.00 0.00 N ATOM 0 H LYS A 21 -1.170 -3.221 -2.000 1.00 0.00 H new ATOM 0 HA LYS A 21 1.312 -1.802 -2.455 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.464 -1.307 -3.385 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.340 0.027 -3.224 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.146 -0.637 -5.456 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.272 -1.308 -4.675 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.098 -3.513 -4.516 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.258 -2.825 -5.387 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.256 -2.260 -7.286 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.603 -2.967 -6.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.859 -4.593 -7.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.244 -5.066 -6.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.777 -4.330 -7.501 1.00 0.00 H new ATOM 306 N VAL A 22 0.962 -0.099 -0.887 1.00 0.00 N ATOM 307 CA VAL A 22 1.016 0.786 0.149 1.00 0.00 C ATOM 308 C VAL A 22 -0.067 1.766 -0.043 1.00 0.00 C ATOM 309 O VAL A 22 -0.023 2.590 -0.922 1.00 0.00 O ATOM 310 CB VAL A 22 2.363 1.452 0.160 1.00 0.00 C ATOM 311 CG1 VAL A 22 2.382 2.552 1.180 1.00 0.00 C ATOM 312 CG2 VAL A 22 3.438 0.380 0.395 1.00 0.00 C ATOM 0 H VAL A 22 1.692 0.044 -1.585 1.00 0.00 H new ATOM 0 HA VAL A 22 0.884 0.286 1.109 1.00 0.00 H new ATOM 0 HB VAL A 22 2.577 1.925 -0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.362 3.030 1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.619 3.290 0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.179 2.136 2.167 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.422 0.848 0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.259 -0.111 1.352 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.396 -0.359 -0.405 1.00 0.00 H new ATOM 322 N CYS A 23 -1.060 1.589 0.689 1.00 0.00 N ATOM 323 CA CYS A 23 -2.181 2.451 0.605 1.00 0.00 C ATOM 324 C CYS A 23 -2.220 3.388 1.793 1.00 0.00 C ATOM 325 O CYS A 23 -2.013 2.983 2.948 1.00 0.00 O ATOM 326 CB CYS A 23 -3.481 1.674 0.505 1.00 0.00 C ATOM 327 SG CYS A 23 -3.470 0.269 -0.704 1.00 0.00 S ATOM 0 H CYS A 23 -1.143 0.842 1.378 1.00 0.00 H new ATOM 0 HA CYS A 23 -2.074 3.038 -0.307 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -3.728 1.281 1.491 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.278 2.364 0.228 1.00 0.00 H new ATOM 332 N CYS A 24 -2.488 4.618 1.514 1.00 0.00 N ATOM 333 CA CYS A 24 -2.568 5.630 2.491 1.00 0.00 C ATOM 334 C CYS A 24 -4.034 5.992 2.621 1.00 0.00 C ATOM 335 O CYS A 24 -4.865 5.459 1.873 1.00 0.00 O ATOM 336 CB CYS A 24 -1.739 6.832 2.038 1.00 0.00 C ATOM 337 SG CYS A 24 0.020 6.448 1.677 1.00 0.00 S ATOM 0 H CYS A 24 -2.662 4.950 0.565 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.176 5.303 3.454 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.196 7.257 1.144 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.779 7.598 2.812 1.00 0.00 H new ATOM 342 N ARG A 25 -4.378 6.835 3.537 1.00 0.00 N ATOM 343 CA ARG A 25 -5.734 7.193 3.702 1.00 0.00 C ATOM 344 C ARG A 25 -5.816 8.691 3.574 1.00 0.00 C ATOM 345 O ARG A 25 -5.084 9.420 4.250 1.00 0.00 O ATOM 346 CB ARG A 25 -6.215 6.656 5.041 1.00 0.00 C ATOM 347 CG ARG A 25 -7.720 6.546 5.189 1.00 0.00 C ATOM 348 CD ARG A 25 -8.370 7.851 5.632 1.00 0.00 C ATOM 349 NE ARG A 25 -7.941 8.262 6.975 1.00 0.00 N ATOM 350 CZ ARG A 25 -8.068 9.484 7.509 1.00 0.00 C ATOM 351 NH1 ARG A 25 -8.490 10.511 6.760 1.00 0.00 N ATOM 352 NH2 ARG A 25 -7.710 9.691 8.775 1.00 0.00 N ATOM 0 H ARG A 25 -3.730 7.287 4.182 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.390 6.761 2.947 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.777 5.670 5.197 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.834 7.303 5.832 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.152 6.236 4.237 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.953 5.766 5.914 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.124 8.637 4.918 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -9.454 7.737 5.619 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.504 7.548 7.558 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.717 10.365 5.776 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.584 11.439 7.173 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.341 8.921 9.333 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.805 10.620 9.186 1.00 0.00 H new ATOM 366 N ASP A 26 -6.664 9.136 2.692 1.00 0.00 N ATOM 367 CA ASP A 26 -6.732 10.510 2.312 1.00 0.00 C ATOM 368 C ASP A 26 -7.788 11.245 3.119 1.00 0.00 C ATOM 369 O ASP A 26 -8.402 10.707 4.051 1.00 0.00 O ATOM 370 CB ASP A 26 -7.066 10.618 0.806 1.00 0.00 C ATOM 371 CG ASP A 26 -8.547 10.454 0.546 1.00 0.00 C ATOM 372 OD1 ASP A 26 -9.063 9.374 0.783 1.00 0.00 O ATOM 373 OD2 ASP A 26 -9.200 11.443 0.188 1.00 0.00 O ATOM 0 H ASP A 26 -7.338 8.540 2.211 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.763 10.969 2.510 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.736 11.586 0.429 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.514 9.856 0.256 1.00 0.00 H new ATOM 378 N LEU A 27 -8.000 12.441 2.711 1.00 0.00 N ATOM 379 CA LEU A 27 -8.892 13.386 3.311 1.00 0.00 C ATOM 380 C LEU A 27 -10.365 13.021 3.242 1.00 0.00 C ATOM 381 O LEU A 27 -11.106 13.248 4.192 1.00 0.00 O ATOM 382 CB LEU A 27 -8.630 14.811 2.817 1.00 0.00 C ATOM 383 CG LEU A 27 -8.256 15.037 1.326 1.00 0.00 C ATOM 384 CD1 LEU A 27 -9.431 14.805 0.385 1.00 0.00 C ATOM 385 CD2 LEU A 27 -7.683 16.432 1.131 1.00 0.00 C ATOM 0 H LEU A 27 -7.526 12.821 1.892 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.655 13.345 4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.523 15.400 3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.826 15.227 3.424 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.497 14.297 1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.113 14.977 -0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.783 13.779 0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.239 15.493 0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.425 16.576 0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.424 17.174 1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.788 16.547 1.743 1.00 0.00 H new ATOM 397 N SER A 28 -10.763 12.442 2.154 1.00 0.00 N ATOM 398 CA SER A 28 -12.117 12.044 1.947 1.00 0.00 C ATOM 399 C SER A 28 -12.370 10.760 2.704 1.00 0.00 C ATOM 400 O SER A 28 -13.521 10.349 2.906 1.00 0.00 O ATOM 401 CB SER A 28 -12.425 11.871 0.444 1.00 0.00 C ATOM 402 OG SER A 28 -13.782 11.462 0.237 1.00 0.00 O ATOM 0 H SER A 28 -10.144 12.229 1.371 1.00 0.00 H new ATOM 0 HA SER A 28 -12.782 12.823 2.321 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.242 12.810 -0.078 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.750 11.131 0.015 1.00 0.00 H new ATOM 0 HG SER A 28 -14.103 10.982 1.029 1.00 0.00 H new ATOM 408 N GLY A 29 -11.293 10.148 3.118 1.00 0.00 N ATOM 409 CA GLY A 29 -11.345 8.966 3.848 1.00 0.00 C ATOM 410 C GLY A 29 -11.479 7.752 2.969 1.00 0.00 C ATOM 411 O GLY A 29 -12.411 6.945 3.126 1.00 0.00 O ATOM 0 H GLY A 29 -10.347 10.486 2.940 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.442 8.876 4.452 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.188 9.006 4.538 1.00 0.00 H new ATOM 415 N ARG A 30 -10.616 7.656 2.001 1.00 0.00 N ATOM 416 CA ARG A 30 -10.551 6.524 1.129 1.00 0.00 C ATOM 417 C ARG A 30 -9.183 5.907 1.300 1.00 0.00 C ATOM 418 O ARG A 30 -8.248 6.566 1.780 1.00 0.00 O ATOM 419 CB ARG A 30 -10.739 6.950 -0.347 1.00 0.00 C ATOM 420 CG ARG A 30 -11.916 7.889 -0.582 1.00 0.00 C ATOM 421 CD ARG A 30 -13.213 7.291 -0.081 1.00 0.00 C ATOM 422 NE ARG A 30 -14.300 8.270 -0.081 1.00 0.00 N ATOM 423 CZ ARG A 30 -15.149 8.466 0.941 1.00 0.00 C ATOM 424 NH1 ARG A 30 -14.952 7.845 2.116 1.00 0.00 N ATOM 425 NH2 ARG A 30 -16.147 9.345 0.814 1.00 0.00 N ATOM 0 H ARG A 30 -9.925 8.377 1.793 1.00 0.00 H new ATOM 0 HA ARG A 30 -11.344 5.818 1.377 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.826 7.436 -0.692 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.874 6.057 -0.957 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.733 8.837 -0.077 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.002 8.107 -1.647 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.488 6.443 -0.708 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -13.070 6.907 0.929 1.00 0.00 H new ATOM 0 HE ARG A 30 -14.422 8.844 -0.915 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -14.154 7.221 2.235 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -15.600 7.998 2.889 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -16.262 9.864 -0.057 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -16.794 9.497 1.588 1.00 0.00 H new ATOM 439 N CYS A 31 -9.063 4.670 0.955 1.00 0.00 N ATOM 440 CA CYS A 31 -7.802 4.002 1.031 1.00 0.00 C ATOM 441 C CYS A 31 -7.194 4.032 -0.347 1.00 0.00 C ATOM 442 O CYS A 31 -7.663 3.359 -1.263 1.00 0.00 O ATOM 443 CB CYS A 31 -8.007 2.588 1.547 1.00 0.00 C ATOM 444 SG CYS A 31 -8.978 2.571 3.094 1.00 0.00 S ATOM 0 H CYS A 31 -9.831 4.092 0.613 1.00 0.00 H new ATOM 0 HA CYS A 31 -7.122 4.493 1.727 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -8.518 1.994 0.789 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.038 2.119 1.720 1.00 0.00 H new ATOM 449 N VAL A 32 -6.200 4.853 -0.491 1.00 0.00 N ATOM 450 CA VAL A 32 -5.601 5.129 -1.734 1.00 0.00 C ATOM 451 C VAL A 32 -4.196 4.640 -1.824 1.00 0.00 C ATOM 452 O VAL A 32 -3.419 4.834 -0.914 1.00 0.00 O ATOM 453 CB VAL A 32 -5.648 6.622 -2.106 1.00 0.00 C ATOM 454 CG1 VAL A 32 -7.013 6.961 -2.651 1.00 0.00 C ATOM 455 CG2 VAL A 32 -5.308 7.491 -0.882 1.00 0.00 C ATOM 0 H VAL A 32 -5.779 5.360 0.287 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.204 4.577 -2.455 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.904 6.828 -2.875 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.047 8.018 -2.915 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.210 6.359 -3.538 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.769 6.751 -1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.346 8.544 -1.162 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.030 7.300 -0.088 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.307 7.245 -0.528 1.00 0.00 H new ATOM 465 N PRO A 33 -3.854 4.010 -2.921 1.00 0.00 N ATOM 466 CA PRO A 33 -2.503 3.528 -3.151 1.00 0.00 C ATOM 467 C PRO A 33 -1.521 4.703 -3.262 1.00 0.00 C ATOM 468 O PRO A 33 -1.803 5.683 -3.961 1.00 0.00 O ATOM 469 CB PRO A 33 -2.609 2.787 -4.496 1.00 0.00 C ATOM 470 CG PRO A 33 -3.817 3.363 -5.161 1.00 0.00 C ATOM 471 CD PRO A 33 -4.759 3.725 -4.052 1.00 0.00 C ATOM 0 HA PRO A 33 -2.134 2.896 -2.343 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.715 2.938 -5.101 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.715 1.712 -4.347 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -3.556 4.239 -5.755 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.271 2.641 -5.840 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.369 4.591 -4.308 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -5.445 2.909 -3.823 1.00 0.00 H new ATOM 479 N TYR A 34 -0.430 4.627 -2.506 1.00 0.00 N ATOM 480 CA TYR A 34 0.654 5.605 -2.549 1.00 0.00 C ATOM 481 C TYR A 34 1.103 5.825 -3.965 1.00 0.00 C ATOM 482 O TYR A 34 1.307 4.872 -4.743 1.00 0.00 O ATOM 483 CB TYR A 34 1.851 5.034 -1.809 1.00 0.00 C ATOM 484 CG TYR A 34 3.095 5.922 -1.590 1.00 0.00 C ATOM 485 CD1 TYR A 34 3.781 6.558 -2.630 1.00 0.00 C ATOM 486 CD2 TYR A 34 3.617 6.059 -0.334 1.00 0.00 C ATOM 487 CE1 TYR A 34 4.886 7.273 -2.415 1.00 0.00 C ATOM 488 CE2 TYR A 34 4.767 6.799 -0.113 1.00 0.00 C ATOM 489 CZ TYR A 34 5.398 7.404 -1.169 1.00 0.00 C ATOM 490 OH TYR A 34 6.546 8.145 -0.973 1.00 0.00 O ATOM 0 H TYR A 34 -0.271 3.874 -1.837 1.00 0.00 H new ATOM 0 HA TYR A 34 0.297 6.536 -2.108 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.505 4.707 -0.829 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.175 4.143 -2.347 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.404 6.467 -3.638 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.124 5.582 0.500 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.379 7.754 -3.247 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.164 6.899 0.886 1.00 0.00 H new ATOM 0 HH TYR A 34 6.671 8.760 -1.726 1.00 0.00 H new ATOM 500 N VAL A 35 1.257 7.043 -4.280 1.00 0.00 N ATOM 501 CA VAL A 35 1.868 7.454 -5.444 1.00 0.00 C ATOM 502 C VAL A 35 2.635 8.641 -5.063 1.00 0.00 C ATOM 503 O VAL A 35 2.159 9.473 -4.294 1.00 0.00 O ATOM 504 CB VAL A 35 0.956 7.884 -6.564 1.00 0.00 C ATOM 505 CG1 VAL A 35 1.462 7.321 -7.856 1.00 0.00 C ATOM 506 CG2 VAL A 35 -0.510 7.590 -6.316 1.00 0.00 C ATOM 0 H VAL A 35 0.939 7.814 -3.693 1.00 0.00 H new ATOM 0 HA VAL A 35 2.428 6.602 -5.831 1.00 0.00 H new ATOM 0 HB VAL A 35 0.987 8.972 -6.620 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.805 7.629 -8.669 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.470 7.690 -8.044 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.479 6.233 -7.797 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.098 7.930 -7.168 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.649 6.517 -6.184 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.839 8.112 -5.417 1.00 0.00 H new ATOM 516 N ASP A 36 3.793 8.699 -5.543 1.00 0.00 N ATOM 517 CA ASP A 36 4.644 9.745 -5.307 1.00 0.00 C ATOM 518 C ASP A 36 4.432 10.724 -6.346 1.00 0.00 C ATOM 519 O ASP A 36 3.573 10.549 -7.229 1.00 0.00 O ATOM 520 CB ASP A 36 6.030 9.210 -5.223 1.00 0.00 C ATOM 521 CG ASP A 36 6.920 10.042 -4.331 1.00 0.00 C ATOM 522 OD1 ASP A 36 6.975 9.775 -3.132 1.00 0.00 O ATOM 523 OD2 ASP A 36 7.604 10.938 -4.858 1.00 0.00 O ATOM 0 H ASP A 36 4.187 7.975 -6.143 1.00 0.00 H new ATOM 0 HA ASP A 36 4.459 10.250 -4.359 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.999 8.187 -4.847 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.461 9.169 -6.223 1.00 0.00 H new ATOM 528 N ALA A 37 5.189 11.698 -6.283 1.00 0.00 N ATOM 529 CA ALA A 37 4.935 12.886 -6.938 1.00 0.00 C ATOM 530 C ALA A 37 4.888 12.790 -8.472 1.00 0.00 C ATOM 531 O ALA A 37 4.188 13.554 -9.130 1.00 0.00 O ATOM 532 CB ALA A 37 5.897 13.868 -6.432 1.00 0.00 C ATOM 0 H ALA A 37 6.056 11.701 -5.745 1.00 0.00 H new ATOM 0 HA ALA A 37 3.917 13.204 -6.715 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.732 14.826 -6.925 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.765 13.986 -5.356 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.911 13.524 -6.638 1.00 0.00 H new ATOM 538 N GLU A 38 5.620 11.854 -9.015 1.00 0.00 N ATOM 539 CA GLU A 38 5.684 11.624 -10.377 1.00 0.00 C ATOM 540 C GLU A 38 5.109 10.270 -10.718 1.00 0.00 C ATOM 541 O GLU A 38 5.410 9.678 -11.765 1.00 0.00 O ATOM 542 CB GLU A 38 7.083 11.727 -10.754 1.00 0.00 C ATOM 543 CG GLU A 38 7.982 10.554 -10.384 1.00 0.00 C ATOM 544 CD GLU A 38 8.308 10.472 -8.938 1.00 0.00 C ATOM 545 OE1 GLU A 38 7.416 10.070 -8.137 1.00 0.00 O ATOM 546 OE2 GLU A 38 9.455 10.736 -8.555 1.00 0.00 O ATOM 0 H GLU A 38 6.202 11.219 -8.469 1.00 0.00 H new ATOM 0 HA GLU A 38 5.091 12.353 -10.929 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.134 11.867 -11.834 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.493 12.627 -10.296 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.496 9.627 -10.689 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.910 10.629 -10.951 1.00 0.00 H new ATOM 553 N GLN A 39 4.266 9.824 -9.828 1.00 0.00 N ATOM 554 CA GLN A 39 3.542 8.638 -9.905 1.00 0.00 C ATOM 555 C GLN A 39 4.322 7.354 -9.572 1.00 0.00 C ATOM 556 O GLN A 39 4.024 6.287 -10.110 1.00 0.00 O ATOM 557 CB GLN A 39 2.795 8.590 -11.182 1.00 0.00 C ATOM 558 CG GLN A 39 1.655 9.582 -11.217 1.00 0.00 C ATOM 559 CD GLN A 39 0.964 9.668 -12.566 1.00 0.00 C ATOM 560 OE1 GLN A 39 0.436 10.701 -12.940 1.00 0.00 O ATOM 561 NE2 GLN A 39 0.964 8.587 -13.309 1.00 0.00 N ATOM 0 H GLN A 39 4.070 10.341 -8.971 1.00 0.00 H new ATOM 0 HA GLN A 39 2.820 8.658 -9.089 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.477 8.794 -12.007 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.403 7.584 -11.334 1.00 0.00 H new ATOM 0 HG2 GLN A 39 0.921 9.306 -10.460 1.00 0.00 H new ATOM 0 HG3 GLN A 39 2.034 10.568 -10.949 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.413 7.736 -12.971 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.515 8.597 -14.225 1.00 0.00 H new ATOM 570 N LYS A 40 5.273 7.431 -8.628 1.00 0.00 N ATOM 571 CA LYS A 40 5.905 6.217 -8.133 1.00 0.00 C ATOM 572 C LYS A 40 4.983 5.553 -7.162 1.00 0.00 C ATOM 573 O LYS A 40 4.329 6.209 -6.402 1.00 0.00 O ATOM 574 CB LYS A 40 7.176 6.488 -7.377 1.00 0.00 C ATOM 575 CG LYS A 40 8.261 7.118 -8.170 1.00 0.00 C ATOM 576 CD LYS A 40 9.594 7.198 -7.386 1.00 0.00 C ATOM 577 CE LYS A 40 9.500 8.012 -6.075 1.00 0.00 C ATOM 578 NZ LYS A 40 9.216 9.442 -6.302 1.00 0.00 N ATOM 0 H LYS A 40 5.608 8.298 -8.208 1.00 0.00 H new ATOM 0 HA LYS A 40 6.126 5.604 -9.007 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.945 7.134 -6.530 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.545 5.547 -6.969 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.415 6.549 -9.087 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.956 8.122 -8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.928 6.187 -7.152 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.355 7.645 -8.026 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.718 7.588 -5.446 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.437 7.916 -5.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.249 9.951 -5.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.928 9.839 -6.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.271 9.546 -6.723 1.00 0.00 H new ATOM 592 N ASN A 41 4.961 4.290 -7.175 1.00 0.00 N ATOM 593 CA ASN A 41 4.154 3.532 -6.259 1.00 0.00 C ATOM 594 C ASN A 41 5.082 2.846 -5.269 1.00 0.00 C ATOM 595 O ASN A 41 6.309 2.921 -5.407 1.00 0.00 O ATOM 596 CB ASN A 41 3.358 2.514 -7.064 1.00 0.00 C ATOM 597 CG ASN A 41 2.328 1.693 -6.282 1.00 0.00 C ATOM 598 OD1 ASN A 41 2.603 0.580 -5.855 1.00 0.00 O ATOM 599 ND2 ASN A 41 1.172 2.251 -6.048 1.00 0.00 N ATOM 0 H ASN A 41 5.504 3.721 -7.824 1.00 0.00 H new ATOM 0 HA ASN A 41 3.459 4.166 -5.708 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.840 3.040 -7.866 1.00 0.00 H new ATOM 0 HB3 ASN A 41 4.059 1.825 -7.535 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.470 1.758 -5.496 1.00 0.00 H new ATOM 0 HD22 ASN A 41 0.970 3.180 -6.417 1.00 0.00 H new ATOM 606 N LEU A 42 4.516 2.178 -4.321 1.00 0.00 N ATOM 607 CA LEU A 42 5.258 1.474 -3.296 1.00 0.00 C ATOM 608 C LEU A 42 4.629 0.112 -3.087 1.00 0.00 C ATOM 609 O LEU A 42 3.406 0.002 -2.874 1.00 0.00 O ATOM 610 CB LEU A 42 5.243 2.172 -1.921 1.00 0.00 C ATOM 611 CG LEU A 42 5.859 3.556 -1.705 1.00 0.00 C ATOM 612 CD1 LEU A 42 5.804 3.851 -0.197 1.00 0.00 C ATOM 613 CD2 LEU A 42 7.297 3.607 -2.202 1.00 0.00 C ATOM 0 H LEU A 42 3.504 2.096 -4.223 1.00 0.00 H new ATOM 0 HA LEU A 42 6.288 1.430 -3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.199 2.242 -1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.735 1.497 -1.221 1.00 0.00 H new ATOM 0 HG LEU A 42 5.302 4.303 -2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.236 4.833 -0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.767 3.837 0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.370 3.092 0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.705 4.604 -2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.895 2.874 -1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.322 3.380 -3.268 1.00 0.00 H new ATOM 625 N PHE A 43 5.430 -0.904 -3.147 1.00 0.00 N ATOM 626 CA PHE A 43 5.014 -2.211 -2.880 1.00 0.00 C ATOM 627 C PHE A 43 5.327 -2.538 -1.429 1.00 0.00 C ATOM 628 O PHE A 43 6.387 -2.134 -0.912 1.00 0.00 O ATOM 629 CB PHE A 43 5.744 -3.169 -3.802 1.00 0.00 C ATOM 630 CG PHE A 43 5.420 -3.002 -5.263 1.00 0.00 C ATOM 631 CD1 PHE A 43 4.315 -3.624 -5.811 1.00 0.00 C ATOM 632 CD2 PHE A 43 6.225 -2.227 -6.085 1.00 0.00 C ATOM 633 CE1 PHE A 43 4.015 -3.480 -7.151 1.00 0.00 C ATOM 634 CE2 PHE A 43 5.930 -2.080 -7.426 1.00 0.00 C ATOM 635 CZ PHE A 43 4.823 -2.707 -7.959 1.00 0.00 C ATOM 0 H PHE A 43 6.417 -0.827 -3.392 1.00 0.00 H new ATOM 0 HA PHE A 43 3.942 -2.307 -3.050 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.817 -3.038 -3.664 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.506 -4.190 -3.505 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.678 -4.230 -5.184 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.092 -1.733 -5.672 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.148 -3.972 -7.566 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.565 -1.475 -8.056 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.589 -2.593 -9.007 1.00 0.00 H new ATOM 645 N LEU A 44 4.412 -3.200 -0.758 1.00 0.00 N ATOM 646 CA LEU A 44 4.597 -3.641 0.571 1.00 0.00 C ATOM 647 C LEU A 44 5.642 -4.765 0.664 1.00 0.00 C ATOM 648 O LEU A 44 6.332 -5.083 -0.293 1.00 0.00 O ATOM 649 CB LEU A 44 3.265 -4.075 1.208 1.00 0.00 C ATOM 650 CG LEU A 44 2.317 -2.941 1.623 1.00 0.00 C ATOM 651 CD1 LEU A 44 0.983 -3.502 2.050 1.00 0.00 C ATOM 652 CD2 LEU A 44 2.919 -2.157 2.786 1.00 0.00 C ATOM 0 H LEU A 44 3.501 -3.444 -1.148 1.00 0.00 H new ATOM 0 HA LEU A 44 4.981 -2.792 1.136 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.741 -4.720 0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.486 -4.678 2.089 1.00 0.00 H new ATOM 0 HG LEU A 44 2.176 -2.281 0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.322 -2.686 2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.537 -4.052 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.125 -4.174 2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.240 -1.354 3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.072 -2.824 3.634 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.875 -1.731 2.482 1.00 0.00 H new ATOM 664 N ARG A 45 5.816 -5.287 1.843 1.00 0.00 N ATOM 665 CA ARG A 45 6.707 -6.396 2.058 1.00 0.00 C ATOM 666 C ARG A 45 6.042 -7.729 1.686 1.00 0.00 C ATOM 667 O ARG A 45 4.811 -7.826 1.634 1.00 0.00 O ATOM 668 CB ARG A 45 7.170 -6.441 3.498 1.00 0.00 C ATOM 669 CG ARG A 45 8.414 -5.599 3.874 1.00 0.00 C ATOM 670 CD ARG A 45 8.215 -4.072 3.845 1.00 0.00 C ATOM 671 NE ARG A 45 8.102 -3.495 2.488 1.00 0.00 N ATOM 672 CZ ARG A 45 8.567 -2.273 2.131 1.00 0.00 C ATOM 673 NH1 ARG A 45 9.283 -1.541 3.000 1.00 0.00 N ATOM 674 NH2 ARG A 45 8.325 -1.793 0.915 1.00 0.00 N ATOM 0 H ARG A 45 5.345 -4.957 2.685 1.00 0.00 H new ATOM 0 HA ARG A 45 7.571 -6.249 1.410 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.342 -6.118 4.128 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.377 -7.480 3.753 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.737 -5.887 4.875 1.00 0.00 H new ATOM 0 HG3 ARG A 45 9.224 -5.855 3.191 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.315 -3.825 4.408 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.052 -3.599 4.359 1.00 0.00 H new ATOM 0 HE ARG A 45 7.642 -4.056 1.771 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.479 -1.904 3.933 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.631 -0.622 2.727 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.787 -2.345 0.247 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.677 -0.873 0.651 1.00 0.00 H new ATOM 688 N LYS A 46 6.860 -8.752 1.494 1.00 0.00 N ATOM 689 CA LYS A 46 6.373 -10.062 1.088 1.00 0.00 C ATOM 690 C LYS A 46 6.020 -10.910 2.313 1.00 0.00 C ATOM 691 O LYS A 46 6.664 -10.806 3.355 1.00 0.00 O ATOM 692 CB LYS A 46 7.377 -10.768 0.104 1.00 0.00 C ATOM 693 CG LYS A 46 8.796 -11.042 0.641 1.00 0.00 C ATOM 694 CD LYS A 46 8.893 -12.350 1.438 1.00 0.00 C ATOM 695 CE LYS A 46 9.576 -13.486 0.645 1.00 0.00 C ATOM 696 NZ LYS A 46 8.894 -13.845 -0.626 1.00 0.00 N ATOM 0 H LYS A 46 7.872 -8.700 1.614 1.00 0.00 H new ATOM 0 HA LYS A 46 5.449 -9.934 0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.940 -11.718 -0.204 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.465 -10.153 -0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.494 -11.080 -0.195 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.105 -10.212 1.276 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.450 -12.169 2.357 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.892 -12.668 1.729 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.601 -13.191 0.422 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.630 -14.372 1.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.376 -14.658 -1.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.903 -14.094 -0.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.925 -13.035 -1.278 1.00 0.00 H new ATOM 710 N GLY A 47 4.988 -11.709 2.170 1.00 0.00 N ATOM 711 CA GLY A 47 4.459 -12.532 3.234 1.00 0.00 C ATOM 712 C GLY A 47 3.466 -11.764 4.062 1.00 0.00 C ATOM 713 O GLY A 47 3.007 -12.228 5.095 1.00 0.00 O ATOM 0 H GLY A 47 4.481 -11.807 1.290 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.981 -13.416 2.812 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.274 -12.882 3.868 1.00 0.00 H new ATOM 717 N LYS A 48 3.129 -10.581 3.591 1.00 0.00 N ATOM 718 CA LYS A 48 2.174 -9.741 4.250 1.00 0.00 C ATOM 719 C LYS A 48 0.782 -10.249 3.871 1.00 0.00 C ATOM 720 O LYS A 48 0.445 -10.234 2.683 1.00 0.00 O ATOM 721 CB LYS A 48 2.378 -8.302 3.743 1.00 0.00 C ATOM 722 CG LYS A 48 1.858 -7.167 4.660 1.00 0.00 C ATOM 723 CD LYS A 48 0.324 -7.101 4.849 1.00 0.00 C ATOM 724 CE LYS A 48 -0.446 -6.503 3.647 1.00 0.00 C ATOM 725 NZ LYS A 48 -0.467 -7.366 2.439 1.00 0.00 N ATOM 0 H LYS A 48 3.516 -10.181 2.736 1.00 0.00 H new ATOM 0 HA LYS A 48 2.290 -9.758 5.334 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.444 -8.146 3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.888 -8.209 2.774 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.321 -7.277 5.641 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.196 -6.214 4.253 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.049 -8.107 5.039 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.105 -6.507 5.736 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.473 -6.303 3.953 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.002 -5.544 3.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.220 -7.046 1.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.451 -7.307 1.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.647 -8.351 2.719 1.00 0.00 H new ATOM 739 N PRO A 49 -0.026 -10.713 4.858 1.00 0.00 N ATOM 740 CA PRO A 49 -1.393 -11.237 4.621 1.00 0.00 C ATOM 741 C PRO A 49 -2.252 -10.274 3.800 1.00 0.00 C ATOM 742 O PRO A 49 -2.134 -9.051 3.925 1.00 0.00 O ATOM 743 CB PRO A 49 -1.965 -11.382 6.032 1.00 0.00 C ATOM 744 CG PRO A 49 -0.777 -11.595 6.898 1.00 0.00 C ATOM 745 CD PRO A 49 0.334 -10.783 6.294 1.00 0.00 C ATOM 0 HA PRO A 49 -1.378 -12.166 4.051 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.518 -10.491 6.329 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.657 -12.222 6.095 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.979 -11.278 7.921 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.509 -12.651 6.939 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.394 -9.791 6.741 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.304 -11.258 6.441 1.00 0.00 H new ATOM 753 N CYS A 50 -3.061 -10.805 2.952 1.00 0.00 N ATOM 754 CA CYS A 50 -3.878 -10.025 2.093 1.00 0.00 C ATOM 755 C CYS A 50 -5.305 -10.519 2.100 1.00 0.00 C ATOM 756 O CYS A 50 -5.708 -11.244 2.996 1.00 0.00 O ATOM 757 CB CYS A 50 -3.359 -10.109 0.687 1.00 0.00 C ATOM 758 SG CYS A 50 -1.672 -9.542 0.441 1.00 0.00 S ATOM 0 H CYS A 50 -3.175 -11.812 2.834 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.852 -8.997 2.453 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.426 -11.146 0.356 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -4.016 -9.526 0.042 1.00 0.00 H new ATOM 763 N THR A 51 -6.042 -10.094 1.085 1.00 0.00 N ATOM 764 CA THR A 51 -7.406 -10.468 0.842 1.00 0.00 C ATOM 765 C THR A 51 -7.546 -11.981 0.728 1.00 0.00 C ATOM 766 O THR A 51 -8.360 -12.614 1.388 1.00 0.00 O ATOM 767 CB THR A 51 -7.815 -9.839 -0.524 1.00 0.00 C ATOM 768 OG1 THR A 51 -6.836 -10.209 -1.533 1.00 0.00 O ATOM 769 CG2 THR A 51 -7.823 -8.342 -0.437 1.00 0.00 C ATOM 0 H THR A 51 -5.678 -9.450 0.383 1.00 0.00 H new ATOM 0 HA THR A 51 -8.033 -10.122 1.664 1.00 0.00 H new ATOM 0 HB THR A 51 -8.810 -10.203 -0.781 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.037 -9.651 -1.433 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.111 -7.923 -1.401 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.536 -8.026 0.324 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.827 -7.988 -0.170 1.00 0.00 H new ATOM 777 N VAL A 52 -6.739 -12.512 -0.134 1.00 0.00 N ATOM 778 CA VAL A 52 -6.793 -13.894 -0.513 1.00 0.00 C ATOM 779 C VAL A 52 -5.705 -14.767 0.127 1.00 0.00 C ATOM 780 O VAL A 52 -5.993 -15.835 0.650 1.00 0.00 O ATOM 781 CB VAL A 52 -6.784 -13.991 -2.062 1.00 0.00 C ATOM 782 CG1 VAL A 52 -8.037 -13.309 -2.622 1.00 0.00 C ATOM 783 CG2 VAL A 52 -5.523 -13.334 -2.661 1.00 0.00 C ATOM 0 H VAL A 52 -6.005 -11.986 -0.608 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.723 -14.305 -0.121 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.777 -15.045 -2.338 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.032 -13.376 -3.710 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.926 -13.804 -2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.045 -12.261 -2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.549 -13.420 -3.747 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.493 -12.281 -2.381 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.634 -13.836 -2.279 1.00 0.00 H new ATOM 793 N GLY A 53 -4.505 -14.292 0.114 1.00 0.00 N ATOM 794 CA GLY A 53 -3.402 -15.034 0.634 1.00 0.00 C ATOM 795 C GLY A 53 -2.353 -14.129 1.206 1.00 0.00 C ATOM 796 O GLY A 53 -2.628 -13.360 2.142 1.00 0.00 O ATOM 0 H GLY A 53 -4.259 -13.375 -0.259 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.754 -15.718 1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.966 -15.643 -0.158 1.00 0.00 H new ATOM 800 N PHE A 54 -1.174 -14.158 0.646 1.00 0.00 N ATOM 801 CA PHE A 54 -0.092 -13.334 1.118 1.00 0.00 C ATOM 802 C PHE A 54 0.451 -12.575 -0.038 1.00 0.00 C ATOM 803 O PHE A 54 0.239 -12.935 -1.158 1.00 0.00 O ATOM 804 CB PHE A 54 1.039 -14.176 1.749 1.00 0.00 C ATOM 805 CG PHE A 54 0.623 -14.969 2.959 1.00 0.00 C ATOM 806 CD1 PHE A 54 0.603 -14.385 4.213 1.00 0.00 C ATOM 807 CD2 PHE A 54 0.260 -16.302 2.840 1.00 0.00 C ATOM 808 CE1 PHE A 54 0.228 -15.111 5.326 1.00 0.00 C ATOM 809 CE2 PHE A 54 -0.118 -17.033 3.949 1.00 0.00 C ATOM 810 CZ PHE A 54 -0.134 -16.437 5.194 1.00 0.00 C ATOM 0 H PHE A 54 -0.936 -14.752 -0.148 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.474 -12.664 1.888 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.428 -14.862 0.996 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.857 -13.512 2.028 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.884 -13.348 4.323 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.273 -16.774 1.869 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.218 -14.642 6.299 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.401 -18.070 3.842 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.429 -17.007 6.063 1.00 0.00 H new ATOM 820 N CYS A 55 1.105 -11.524 0.222 1.00 0.00 N ATOM 821 CA CYS A 55 1.733 -10.801 -0.844 1.00 0.00 C ATOM 822 C CYS A 55 3.087 -11.332 -1.064 1.00 0.00 C ATOM 823 O CYS A 55 3.793 -11.564 -0.106 1.00 0.00 O ATOM 824 CB CYS A 55 1.868 -9.329 -0.525 1.00 0.00 C ATOM 825 SG CYS A 55 3.059 -8.498 -1.628 1.00 0.00 S ATOM 0 H CYS A 55 1.232 -11.128 1.154 1.00 0.00 H new ATOM 0 HA CYS A 55 1.106 -10.919 -1.728 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.894 -8.848 -0.615 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.188 -9.210 0.510 1.00 0.00 H new ATOM 830 N ASP A 56 3.473 -11.566 -2.275 1.00 0.00 N ATOM 831 CA ASP A 56 4.857 -11.884 -2.455 1.00 0.00 C ATOM 832 C ASP A 56 5.507 -10.861 -3.392 1.00 0.00 C ATOM 833 O ASP A 56 4.951 -9.792 -3.615 1.00 0.00 O ATOM 834 CB ASP A 56 5.093 -13.325 -2.891 1.00 0.00 C ATOM 835 CG ASP A 56 6.438 -13.818 -2.358 1.00 0.00 C ATOM 836 OD1 ASP A 56 7.504 -13.505 -2.955 1.00 0.00 O ATOM 837 OD2 ASP A 56 6.482 -14.436 -1.266 1.00 0.00 O ATOM 0 H ASP A 56 2.892 -11.547 -3.113 1.00 0.00 H new ATOM 0 HA ASP A 56 5.345 -11.814 -1.483 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.290 -13.962 -2.520 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.077 -13.392 -3.979 1.00 0.00 H new ATOM 842 N MET A 57 6.670 -11.188 -3.931 1.00 0.00 N ATOM 843 CA MET A 57 7.497 -10.351 -4.753 1.00 0.00 C ATOM 844 C MET A 57 6.769 -9.741 -5.986 1.00 0.00 C ATOM 845 O MET A 57 7.294 -8.843 -6.642 1.00 0.00 O ATOM 846 CB MET A 57 8.664 -11.214 -5.198 1.00 0.00 C ATOM 847 CG MET A 57 9.772 -10.443 -5.783 1.00 0.00 C ATOM 848 SD MET A 57 11.151 -11.473 -6.311 1.00 0.00 S ATOM 849 CE MET A 57 12.258 -10.230 -6.975 1.00 0.00 C ATOM 0 H MET A 57 7.080 -12.111 -3.790 1.00 0.00 H new ATOM 0 HA MET A 57 7.810 -9.486 -4.169 1.00 0.00 H new ATOM 0 HB2 MET A 57 9.036 -11.778 -4.343 1.00 0.00 H new ATOM 0 HB3 MET A 57 8.311 -11.940 -5.930 1.00 0.00 H new ATOM 0 HG2 MET A 57 9.401 -9.877 -6.638 1.00 0.00 H new ATOM 0 HG3 MET A 57 10.128 -9.718 -5.051 1.00 0.00 H new ATOM 0 HE1 MET A 57 13.164 -10.710 -7.345 1.00 0.00 H new ATOM 0 HE2 MET A 57 11.766 -9.704 -7.793 1.00 0.00 H new ATOM 0 HE3 MET A 57 12.518 -9.519 -6.191 1.00 0.00 H new ATOM 859 N ASN A 58 5.586 -10.219 -6.283 1.00 0.00 N ATOM 860 CA ASN A 58 4.829 -9.721 -7.412 1.00 0.00 C ATOM 861 C ASN A 58 4.036 -8.455 -7.011 1.00 0.00 C ATOM 862 O ASN A 58 3.544 -7.716 -7.872 1.00 0.00 O ATOM 863 CB ASN A 58 3.869 -10.821 -7.915 1.00 0.00 C ATOM 864 CG ASN A 58 3.274 -10.538 -9.293 1.00 0.00 C ATOM 865 OD1 ASN A 58 2.219 -9.910 -9.438 1.00 0.00 O ATOM 866 ND2 ASN A 58 3.931 -11.029 -10.316 1.00 0.00 N ATOM 0 H ASN A 58 5.121 -10.958 -5.756 1.00 0.00 H new ATOM 0 HA ASN A 58 5.517 -9.454 -8.214 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.405 -11.770 -7.949 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.058 -10.938 -7.197 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.574 -10.897 -11.262 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.799 -11.543 -10.165 1.00 0.00 H new ATOM 873 N GLY A 59 3.934 -8.190 -5.689 1.00 0.00 N ATOM 874 CA GLY A 59 3.120 -7.063 -5.211 1.00 0.00 C ATOM 875 C GLY A 59 1.699 -7.368 -5.436 1.00 0.00 C ATOM 876 O GLY A 59 0.889 -6.497 -5.719 1.00 0.00 O ATOM 0 H GLY A 59 4.394 -8.729 -4.955 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.304 -6.889 -4.151 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.397 -6.149 -5.737 1.00 0.00 H new ATOM 880 N LYS A 60 1.414 -8.600 -5.281 1.00 0.00 N ATOM 881 CA LYS A 60 0.144 -9.169 -5.470 1.00 0.00 C ATOM 882 C LYS A 60 -0.023 -10.064 -4.342 1.00 0.00 C ATOM 883 O LYS A 60 0.922 -10.341 -3.621 1.00 0.00 O ATOM 884 CB LYS A 60 0.119 -9.941 -6.784 1.00 0.00 C ATOM 885 CG LYS A 60 -1.247 -10.493 -7.228 1.00 0.00 C ATOM 886 CD LYS A 60 -1.185 -11.118 -8.625 1.00 0.00 C ATOM 887 CE LYS A 60 -1.279 -10.080 -9.765 1.00 0.00 C ATOM 888 NZ LYS A 60 -0.283 -8.986 -9.670 1.00 0.00 N ATOM 0 H LYS A 60 2.114 -9.286 -4.998 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.653 -8.427 -5.522 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.496 -9.288 -7.571 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.815 -10.776 -6.703 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.587 -11.240 -6.511 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.983 -9.689 -7.223 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.253 -11.674 -8.725 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.998 -11.837 -8.730 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.151 -10.591 -10.719 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.279 -9.647 -9.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.353 -8.379 -10.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.470 -8.420 -8.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.673 -9.391 -9.614 1.00 0.00 H new ATOM 902 N CYS A 61 -1.164 -10.477 -4.183 1.00 0.00 N ATOM 903 CA CYS A 61 -1.523 -11.250 -3.116 1.00 0.00 C ATOM 904 C CYS A 61 -2.011 -12.543 -3.635 1.00 0.00 C ATOM 905 O CYS A 61 -2.972 -12.600 -4.412 1.00 0.00 O ATOM 906 CB CYS A 61 -2.508 -10.469 -2.344 1.00 0.00 C ATOM 907 SG CYS A 61 -1.727 -9.025 -1.501 1.00 0.00 S ATOM 0 H CYS A 61 -1.929 -10.279 -4.828 1.00 0.00 H new ATOM 0 HA CYS A 61 -0.705 -11.494 -2.438 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.297 -10.119 -3.010 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -2.980 -11.112 -1.601 1.00 0.00 H new ATOM 912 N GLU A 62 -1.296 -13.532 -3.263 1.00 0.00 N ATOM 913 CA GLU A 62 -1.380 -14.832 -3.759 1.00 0.00 C ATOM 914 C GLU A 62 -1.608 -15.740 -2.557 1.00 0.00 C ATOM 915 O GLU A 62 -2.661 -16.376 -2.487 1.00 0.00 O ATOM 916 CB GLU A 62 -0.033 -15.094 -4.492 1.00 0.00 C ATOM 917 CG GLU A 62 0.262 -13.963 -5.514 1.00 0.00 C ATOM 918 CD GLU A 62 1.671 -13.906 -6.105 1.00 0.00 C ATOM 919 OE1 GLU A 62 1.922 -14.571 -7.130 1.00 0.00 O ATOM 920 OE2 GLU A 62 2.511 -13.108 -5.586 1.00 0.00 O ATOM 921 OXT GLU A 62 -0.794 -15.663 -1.598 1.00 0.00 O ATOM 0 H GLU A 62 -0.580 -13.436 -2.543 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.193 -15.008 -4.464 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.777 -15.155 -3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.073 -16.054 -5.006 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.446 -14.058 -6.337 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.060 -13.008 -5.029 1.00 0.00 H new TER 928 GLU A 62