USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 533 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 38 ASN : amide:sc= -0.14 K(o=-0.12,f=-3.5) USER MOD Set 1.2: A 41 LYS NZ :NH3+ 160:sc= -0.302 (180deg=-0.688) USER MOD Set 1.3: A 51 TYR OH : rot 165:sc= 0.318 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -99:sc= 2.3 (180deg=-0.615) USER MOD Single : A 18 ASN : amide:sc= 0.667 K(o=0.67,f=-0.23) USER MOD Single : A 19 THR OG1 : rot 9:sc= 0.953 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 29 THR OG1 : rot -160:sc= -0.114 USER MOD Single : A 32 GLN :FLIP amide:sc= -0.0989 F(o=-1.1,f=-0.099) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 57 HIS : no HD1:sc= -0.0179 X(o=-0.018,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -161:sc= 0.879 (180deg=0.381) USER MOD Single : A 66 THR OG1 : rot -163:sc= 1.1 USER MOD Single : A 68 LYS NZ :NH3+ 160:sc= -0.0575 (180deg=-0.354) USER MOD Single : A 71 ASN : amide:sc= 0.986 K(o=0.99,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0665) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 6 -8.942 1.906 4.844 1.00 0.00 N ATOM 24 CA LEU A 6 -7.997 2.706 4.074 1.00 0.00 C ATOM 25 C LEU A 6 -6.917 1.843 3.432 1.00 0.00 C ATOM 26 O LEU A 6 -6.217 2.299 2.533 1.00 0.00 O ATOM 27 CB LEU A 6 -7.344 3.793 4.943 1.00 0.00 C ATOM 28 CG LEU A 6 -8.224 5.009 5.280 1.00 0.00 C ATOM 29 CD1 LEU A 6 -8.842 5.594 4.019 1.00 0.00 C ATOM 30 CD2 LEU A 6 -9.304 4.646 6.291 1.00 0.00 C ATOM 0 HA LEU A 6 -8.569 3.187 3.281 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -7.018 3.336 5.877 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.449 4.148 4.433 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.585 5.767 5.732 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -9.460 6.453 4.281 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.051 5.910 3.339 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -9.458 4.839 3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -9.909 5.526 6.509 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -9.939 3.862 5.879 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.838 4.290 7.210 1.00 0.00 H new ATOM 42 N ARG A 7 -6.797 0.596 3.876 1.00 0.00 N ATOM 43 CA ARG A 7 -5.752 -0.297 3.368 1.00 0.00 C ATOM 44 C ARG A 7 -5.922 -0.471 1.864 1.00 0.00 C ATOM 45 O ARG A 7 -4.988 -0.284 1.083 1.00 0.00 O ATOM 46 CB ARG A 7 -5.829 -1.682 4.028 1.00 0.00 C ATOM 47 CG ARG A 7 -6.499 -1.719 5.394 1.00 0.00 C ATOM 48 CD ARG A 7 -5.712 -0.985 6.458 1.00 0.00 C ATOM 49 NE ARG A 7 -6.260 -1.244 7.788 1.00 0.00 N ATOM 50 CZ ARG A 7 -5.829 -0.666 8.907 1.00 0.00 C ATOM 51 NH1 ARG A 7 -4.916 0.291 8.864 1.00 0.00 N ATOM 52 NH2 ARG A 7 -6.332 -1.027 10.077 1.00 0.00 N ATOM 0 H ARG A 7 -7.404 0.179 4.582 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.786 0.152 3.601 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -6.367 -2.354 3.360 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -4.817 -2.075 4.128 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -7.493 -1.279 5.317 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -6.632 -2.757 5.699 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.668 -1.298 6.424 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.731 0.086 6.255 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.025 -1.914 7.864 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.535 0.593 7.967 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.593 0.727 9.728 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -7.051 -1.749 10.122 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -6.001 -0.583 10.933 1.00 0.00 H new ATOM 66 N TYR A 8 -7.141 -0.829 1.500 1.00 0.00 N ATOM 67 CA TYR A 8 -7.565 -1.017 0.123 1.00 0.00 C ATOM 68 C TYR A 8 -7.229 0.188 -0.753 1.00 0.00 C ATOM 69 O TYR A 8 -6.691 0.040 -1.852 1.00 0.00 O ATOM 70 CB TYR A 8 -9.075 -1.262 0.152 1.00 0.00 C ATOM 71 CG TYR A 8 -9.753 -1.382 -1.186 1.00 0.00 C ATOM 72 CD1 TYR A 8 -9.237 -2.182 -2.191 1.00 0.00 C ATOM 73 CD2 TYR A 8 -10.938 -0.708 -1.426 1.00 0.00 C ATOM 74 CE1 TYR A 8 -9.887 -2.306 -3.401 1.00 0.00 C ATOM 75 CE2 TYR A 8 -11.598 -0.833 -2.625 1.00 0.00 C ATOM 76 CZ TYR A 8 -11.069 -1.632 -3.610 1.00 0.00 C ATOM 77 OH TYR A 8 -11.733 -1.771 -4.801 1.00 0.00 O ATOM 0 H TYR A 8 -7.886 -1.002 2.175 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.035 -1.863 -0.315 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -9.263 -2.176 0.715 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.544 -0.446 0.702 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -8.313 -2.716 -2.025 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -11.351 -0.072 -0.657 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -9.471 -2.928 -4.180 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -12.526 -0.307 -2.792 1.00 0.00 H new ATOM 0 HH TYR A 8 -12.550 -1.230 -4.785 1.00 0.00 H new ATOM 87 N ALA A 9 -7.527 1.378 -0.253 1.00 0.00 N ATOM 88 CA ALA A 9 -7.362 2.596 -1.030 1.00 0.00 C ATOM 89 C ALA A 9 -5.890 2.983 -1.178 1.00 0.00 C ATOM 90 O ALA A 9 -5.457 3.374 -2.264 1.00 0.00 O ATOM 91 CB ALA A 9 -8.158 3.724 -0.398 1.00 0.00 C ATOM 0 H ALA A 9 -7.885 1.526 0.690 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.744 2.410 -2.034 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -8.030 4.633 -0.985 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.214 3.454 -0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.803 3.895 0.618 1.00 0.00 H new ATOM 97 N ILE A 10 -5.120 2.849 -0.099 1.00 0.00 N ATOM 98 CA ILE A 10 -3.705 3.236 -0.105 1.00 0.00 C ATOM 99 C ILE A 10 -2.920 2.455 -1.163 1.00 0.00 C ATOM 100 O ILE A 10 -1.959 2.972 -1.742 1.00 0.00 O ATOM 101 CB ILE A 10 -3.053 3.035 1.287 1.00 0.00 C ATOM 102 CG1 ILE A 10 -3.719 3.953 2.316 1.00 0.00 C ATOM 103 CG2 ILE A 10 -1.552 3.305 1.233 1.00 0.00 C ATOM 104 CD1 ILE A 10 -3.173 3.795 3.720 1.00 0.00 C ATOM 0 H ILE A 10 -5.450 2.476 0.791 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.668 4.297 -0.353 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.200 1.997 1.586 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.592 4.989 2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.790 3.753 2.328 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.120 3.157 2.223 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.084 2.620 0.526 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.378 4.332 0.911 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.694 4.478 4.392 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.324 2.769 4.056 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.107 4.024 3.724 1.00 0.00 H new ATOM 116 N LEU A 11 -3.354 1.224 -1.430 1.00 0.00 N ATOM 117 CA LEU A 11 -2.721 0.379 -2.439 1.00 0.00 C ATOM 118 C LEU A 11 -2.610 1.096 -3.784 1.00 0.00 C ATOM 119 O LEU A 11 -1.603 0.974 -4.481 1.00 0.00 O ATOM 120 CB LEU A 11 -3.512 -0.920 -2.616 1.00 0.00 C ATOM 121 CG LEU A 11 -3.434 -1.904 -1.448 1.00 0.00 C ATOM 122 CD1 LEU A 11 -4.367 -3.083 -1.682 1.00 0.00 C ATOM 123 CD2 LEU A 11 -2.004 -2.390 -1.261 1.00 0.00 C ATOM 0 H LEU A 11 -4.146 0.789 -0.958 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.714 0.150 -2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.559 -0.667 -2.786 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.156 -1.422 -3.515 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.749 -1.389 -0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.299 -3.773 -0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.392 -2.723 -1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.080 -3.598 -2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.964 -3.090 -0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.668 -2.889 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.355 -1.539 -1.053 1.00 0.00 H new ATOM 135 N LYS A 12 -3.637 1.860 -4.137 1.00 0.00 N ATOM 136 CA LYS A 12 -3.655 2.551 -5.420 1.00 0.00 C ATOM 137 C LYS A 12 -2.705 3.737 -5.406 1.00 0.00 C ATOM 138 O LYS A 12 -2.015 3.992 -6.384 1.00 0.00 O ATOM 139 CB LYS A 12 -5.063 3.024 -5.778 1.00 0.00 C ATOM 140 CG LYS A 12 -5.158 3.602 -7.181 1.00 0.00 C ATOM 141 CD LYS A 12 -6.546 4.137 -7.478 1.00 0.00 C ATOM 142 CE LYS A 12 -6.892 5.333 -6.606 1.00 0.00 C ATOM 143 NZ LYS A 12 -5.956 6.474 -6.812 1.00 0.00 N ATOM 0 H LYS A 12 -4.462 2.016 -3.558 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.327 1.839 -6.177 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.755 2.187 -5.689 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.381 3.778 -5.058 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.428 4.403 -7.294 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.902 2.832 -7.909 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.607 4.424 -8.528 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.281 3.348 -7.319 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.910 5.657 -6.825 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.871 5.034 -5.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.241 6.478 -6.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.485 6.374 -7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.488 7.368 -6.790 1.00 0.00 H new ATOM 157 N GLU A 13 -2.656 4.447 -4.289 1.00 0.00 N ATOM 158 CA GLU A 13 -1.801 5.622 -4.176 1.00 0.00 C ATOM 159 C GLU A 13 -0.332 5.225 -4.269 1.00 0.00 C ATOM 160 O GLU A 13 0.494 5.977 -4.783 1.00 0.00 O ATOM 161 CB GLU A 13 -2.084 6.370 -2.874 1.00 0.00 C ATOM 162 CG GLU A 13 -3.503 6.914 -2.792 1.00 0.00 C ATOM 163 CD GLU A 13 -3.844 7.821 -3.961 1.00 0.00 C ATOM 164 OE1 GLU A 13 -4.279 7.305 -5.011 1.00 0.00 O ATOM 165 OE2 GLU A 13 -3.670 9.051 -3.841 1.00 0.00 O ATOM 0 H GLU A 13 -3.195 4.232 -3.450 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.024 6.293 -5.006 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.909 5.700 -2.032 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.379 7.195 -2.776 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.207 6.082 -2.764 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.624 7.466 -1.860 1.00 0.00 H new ATOM 172 N ILE A 14 -0.015 4.030 -3.783 1.00 0.00 N ATOM 173 CA ILE A 14 1.319 3.471 -3.949 1.00 0.00 C ATOM 174 C ILE A 14 1.557 3.109 -5.412 1.00 0.00 C ATOM 175 O ILE A 14 2.613 3.401 -5.977 1.00 0.00 O ATOM 176 CB ILE A 14 1.518 2.218 -3.064 1.00 0.00 C ATOM 177 CG1 ILE A 14 1.476 2.604 -1.583 1.00 0.00 C ATOM 178 CG2 ILE A 14 2.832 1.522 -3.393 1.00 0.00 C ATOM 179 CD1 ILE A 14 1.525 1.418 -0.642 1.00 0.00 C ATOM 0 H ILE A 14 -0.664 3.431 -3.272 1.00 0.00 H new ATOM 0 HA ILE A 14 2.039 4.228 -3.638 1.00 0.00 H new ATOM 0 HB ILE A 14 0.705 1.522 -3.270 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.315 3.264 -1.365 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.566 3.172 -1.390 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.948 0.644 -2.757 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.829 1.215 -4.439 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.661 2.208 -3.219 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.491 1.770 0.389 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.671 0.768 -0.831 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.448 0.862 -0.806 1.00 0.00 H new ATOM 191 N PHE A 15 0.548 2.497 -6.021 1.00 0.00 N ATOM 192 CA PHE A 15 0.625 2.056 -7.409 1.00 0.00 C ATOM 193 C PHE A 15 0.780 3.247 -8.355 1.00 0.00 C ATOM 194 O PHE A 15 1.681 3.273 -9.193 1.00 0.00 O ATOM 195 CB PHE A 15 -0.640 1.268 -7.770 1.00 0.00 C ATOM 196 CG PHE A 15 -0.593 0.593 -9.114 1.00 0.00 C ATOM 197 CD1 PHE A 15 -0.111 -0.698 -9.233 1.00 0.00 C ATOM 198 CD2 PHE A 15 -1.040 1.245 -10.253 1.00 0.00 C ATOM 199 CE1 PHE A 15 -0.073 -1.330 -10.459 1.00 0.00 C ATOM 200 CE2 PHE A 15 -1.005 0.617 -11.485 1.00 0.00 C ATOM 201 CZ PHE A 15 -0.519 -0.672 -11.588 1.00 0.00 C ATOM 0 H PHE A 15 -0.343 2.293 -5.569 1.00 0.00 H new ATOM 0 HA PHE A 15 1.500 1.416 -7.519 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.813 0.512 -7.004 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.494 1.946 -7.748 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.240 -1.218 -8.354 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.419 2.253 -10.178 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.305 -2.339 -10.535 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.357 1.134 -12.365 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.488 -1.164 -12.549 1.00 0.00 H new ATOM 211 N GLU A 16 -0.085 4.241 -8.195 1.00 0.00 N ATOM 212 CA GLU A 16 -0.096 5.399 -9.080 1.00 0.00 C ATOM 213 C GLU A 16 1.033 6.358 -8.725 1.00 0.00 C ATOM 214 O GLU A 16 1.429 7.199 -9.534 1.00 0.00 O ATOM 215 CB GLU A 16 -1.446 6.119 -9.008 1.00 0.00 C ATOM 216 CG GLU A 16 -2.641 5.191 -9.164 1.00 0.00 C ATOM 217 CD GLU A 16 -3.808 5.859 -9.853 1.00 0.00 C ATOM 218 OE1 GLU A 16 -3.818 5.890 -11.098 1.00 0.00 O ATOM 219 OE2 GLU A 16 -4.716 6.366 -9.160 1.00 0.00 O ATOM 0 H GLU A 16 -0.790 4.268 -7.458 1.00 0.00 H new ATOM 0 HA GLU A 16 0.057 5.048 -10.101 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.521 6.637 -8.052 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.484 6.881 -9.787 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.342 4.312 -9.734 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.956 4.841 -8.181 1.00 0.00 H new ATOM 226 N GLY A 17 1.552 6.225 -7.514 1.00 0.00 N ATOM 227 CA GLY A 17 2.670 7.041 -7.091 1.00 0.00 C ATOM 228 C GLY A 17 3.988 6.477 -7.578 1.00 0.00 C ATOM 229 O GLY A 17 5.005 7.171 -7.572 1.00 0.00 O ATOM 0 H GLY A 17 1.217 5.563 -6.814 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.545 8.055 -7.471 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.682 7.107 -6.003 1.00 0.00 H new ATOM 233 N ASN A 18 3.959 5.201 -7.976 1.00 0.00 N ATOM 234 CA ASN A 18 5.134 4.504 -8.514 1.00 0.00 C ATOM 235 C ASN A 18 6.234 4.416 -7.455 1.00 0.00 C ATOM 236 O ASN A 18 7.382 4.115 -7.769 1.00 0.00 O ATOM 237 CB ASN A 18 5.641 5.222 -9.775 1.00 0.00 C ATOM 238 CG ASN A 18 6.347 4.308 -10.772 1.00 0.00 C ATOM 239 OD1 ASN A 18 6.227 4.498 -11.982 1.00 0.00 O ATOM 240 ND2 ASN A 18 7.102 3.336 -10.286 1.00 0.00 N ATOM 0 H ASN A 18 3.121 4.621 -7.935 1.00 0.00 H new ATOM 0 HA ASN A 18 4.848 3.488 -8.788 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.797 5.700 -10.272 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.327 6.015 -9.477 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.607 2.717 -10.920 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.179 3.206 -9.277 1.00 0.00 H new ATOM 247 N THR A 19 5.841 4.650 -6.198 1.00 0.00 N ATOM 248 CA THR A 19 6.741 4.685 -5.037 1.00 0.00 C ATOM 249 C THR A 19 7.889 5.700 -5.197 1.00 0.00 C ATOM 250 O THR A 19 8.305 6.034 -6.307 1.00 0.00 O ATOM 251 CB THR A 19 7.306 3.284 -4.675 1.00 0.00 C ATOM 252 OG1 THR A 19 8.058 2.723 -5.755 1.00 0.00 O ATOM 253 CG2 THR A 19 6.179 2.334 -4.294 1.00 0.00 C ATOM 0 H THR A 19 4.866 4.824 -5.953 1.00 0.00 H new ATOM 0 HA THR A 19 6.118 5.020 -4.208 1.00 0.00 H new ATOM 0 HB THR A 19 7.974 3.416 -3.823 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.180 3.399 -6.454 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.595 1.358 -4.044 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.643 2.732 -3.432 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.491 2.231 -5.133 1.00 0.00 H new ATOM 261 N PRO A 20 8.395 6.244 -4.079 1.00 0.00 N ATOM 262 CA PRO A 20 7.872 5.968 -2.738 1.00 0.00 C ATOM 263 C PRO A 20 6.601 6.757 -2.434 1.00 0.00 C ATOM 264 O PRO A 20 6.141 7.553 -3.257 1.00 0.00 O ATOM 265 CB PRO A 20 9.007 6.435 -1.829 1.00 0.00 C ATOM 266 CG PRO A 20 9.656 7.539 -2.587 1.00 0.00 C ATOM 267 CD PRO A 20 9.546 7.167 -4.040 1.00 0.00 C ATOM 0 HA PRO A 20 7.595 4.921 -2.613 1.00 0.00 H new ATOM 0 HB2 PRO A 20 8.629 6.782 -0.867 1.00 0.00 H new ATOM 0 HB3 PRO A 20 9.709 5.627 -1.623 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.162 8.490 -2.390 1.00 0.00 H new ATOM 0 HG3 PRO A 20 10.699 7.654 -2.292 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.378 8.043 -4.666 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.456 6.688 -4.401 1.00 0.00 H new ATOM 275 N LEU A 21 6.036 6.529 -1.257 1.00 0.00 N ATOM 276 CA LEU A 21 4.874 7.276 -0.808 1.00 0.00 C ATOM 277 C LEU A 21 4.883 7.389 0.710 1.00 0.00 C ATOM 278 O LEU A 21 4.870 6.379 1.413 1.00 0.00 O ATOM 279 CB LEU A 21 3.585 6.587 -1.265 1.00 0.00 C ATOM 280 CG LEU A 21 2.287 7.286 -0.851 1.00 0.00 C ATOM 281 CD1 LEU A 21 2.118 8.597 -1.602 1.00 0.00 C ATOM 282 CD2 LEU A 21 1.095 6.372 -1.082 1.00 0.00 C ATOM 0 H LEU A 21 6.367 5.828 -0.594 1.00 0.00 H new ATOM 0 HA LEU A 21 4.914 8.274 -1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.603 6.504 -2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.574 5.572 -0.868 1.00 0.00 H new ATOM 0 HG LEU A 21 2.343 7.513 0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.189 9.077 -1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.958 9.255 -1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.085 8.401 -2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.180 6.884 -0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.036 6.111 -2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.213 5.464 -0.491 1.00 0.00 H new ATOM 294 N SER A 22 4.930 8.611 1.208 1.00 0.00 N ATOM 295 CA SER A 22 4.837 8.853 2.635 1.00 0.00 C ATOM 296 C SER A 22 3.374 8.937 3.061 1.00 0.00 C ATOM 297 O SER A 22 2.481 9.104 2.224 1.00 0.00 O ATOM 298 CB SER A 22 5.584 10.136 2.996 1.00 0.00 C ATOM 299 OG SER A 22 6.909 10.097 2.491 1.00 0.00 O ATOM 0 H SER A 22 5.032 9.454 0.643 1.00 0.00 H new ATOM 0 HA SER A 22 5.300 8.023 3.169 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.057 10.998 2.587 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.604 10.260 4.079 1.00 0.00 H new ATOM 0 HG SER A 22 7.374 10.926 2.729 1.00 0.00 H new ATOM 305 N GLU A 23 3.133 8.837 4.360 1.00 0.00 N ATOM 306 CA GLU A 23 1.780 8.900 4.896 1.00 0.00 C ATOM 307 C GLU A 23 1.183 10.294 4.728 1.00 0.00 C ATOM 308 O GLU A 23 -0.016 10.440 4.500 1.00 0.00 O ATOM 309 CB GLU A 23 1.755 8.467 6.370 1.00 0.00 C ATOM 310 CG GLU A 23 3.062 8.674 7.121 1.00 0.00 C ATOM 311 CD GLU A 23 3.472 10.128 7.234 1.00 0.00 C ATOM 312 OE1 GLU A 23 3.032 10.810 8.183 1.00 0.00 O ATOM 313 OE2 GLU A 23 4.237 10.596 6.367 1.00 0.00 O ATOM 0 H GLU A 23 3.859 8.711 5.065 1.00 0.00 H new ATOM 0 HA GLU A 23 1.164 8.204 4.327 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.967 9.019 6.882 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.488 7.411 6.419 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.967 8.253 8.122 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.853 8.120 6.616 1.00 0.00 H new ATOM 320 N ASN A 24 2.025 11.310 4.820 1.00 0.00 N ATOM 321 CA ASN A 24 1.584 12.686 4.641 1.00 0.00 C ATOM 322 C ASN A 24 1.090 12.913 3.215 1.00 0.00 C ATOM 323 O ASN A 24 0.125 13.639 2.990 1.00 0.00 O ATOM 324 CB ASN A 24 2.732 13.645 4.950 1.00 0.00 C ATOM 325 CG ASN A 24 2.289 15.093 5.000 1.00 0.00 C ATOM 326 OD1 ASN A 24 2.281 15.790 3.984 1.00 0.00 O ATOM 327 ND2 ASN A 24 1.927 15.562 6.185 1.00 0.00 N ATOM 0 H ASN A 24 3.020 11.209 5.018 1.00 0.00 H new ATOM 0 HA ASN A 24 0.760 12.876 5.328 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.179 13.373 5.906 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.507 13.533 4.192 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.628 16.533 6.280 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.947 14.953 7.003 1.00 0.00 H new ATOM 334 N ASP A 25 1.751 12.268 2.259 1.00 0.00 N ATOM 335 CA ASP A 25 1.420 12.438 0.847 1.00 0.00 C ATOM 336 C ASP A 25 0.087 11.784 0.506 1.00 0.00 C ATOM 337 O ASP A 25 -0.653 12.277 -0.344 1.00 0.00 O ATOM 338 CB ASP A 25 2.515 11.850 -0.047 1.00 0.00 C ATOM 339 CG ASP A 25 3.834 12.589 0.065 1.00 0.00 C ATOM 340 OD1 ASP A 25 4.650 12.221 0.932 1.00 0.00 O ATOM 341 OD2 ASP A 25 4.072 13.524 -0.727 1.00 0.00 O ATOM 0 H ASP A 25 2.520 11.622 2.436 1.00 0.00 H new ATOM 0 HA ASP A 25 1.343 13.510 0.663 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.668 10.803 0.217 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.180 11.872 -1.084 1.00 0.00 H new ATOM 346 N ILE A 26 -0.211 10.668 1.158 1.00 0.00 N ATOM 347 CA ILE A 26 -1.468 9.970 0.917 1.00 0.00 C ATOM 348 C ILE A 26 -2.588 10.594 1.761 1.00 0.00 C ATOM 349 O ILE A 26 -3.730 10.698 1.314 1.00 0.00 O ATOM 350 CB ILE A 26 -1.325 8.438 1.173 1.00 0.00 C ATOM 351 CG1 ILE A 26 -2.597 7.661 0.769 1.00 0.00 C ATOM 352 CG2 ILE A 26 -0.958 8.150 2.618 1.00 0.00 C ATOM 353 CD1 ILE A 26 -3.697 7.635 1.817 1.00 0.00 C ATOM 0 H ILE A 26 0.394 10.229 1.852 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.736 10.086 -0.133 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.511 8.088 0.538 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.997 8.100 -0.145 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.317 6.634 0.533 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.866 7.074 2.762 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.009 8.630 2.855 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.735 8.539 3.275 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.546 7.066 1.439 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.322 7.166 2.727 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.013 8.654 2.038 1.00 0.00 H new ATOM 365 N GLY A 27 -2.249 11.046 2.965 1.00 0.00 N ATOM 366 CA GLY A 27 -3.224 11.724 3.799 1.00 0.00 C ATOM 367 C GLY A 27 -3.572 10.951 5.055 1.00 0.00 C ATOM 368 O GLY A 27 -4.707 11.011 5.533 1.00 0.00 O ATOM 0 H GLY A 27 -1.320 10.955 3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.836 12.704 4.078 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.132 11.894 3.221 1.00 0.00 H new ATOM 372 N VAL A 28 -2.602 10.222 5.594 1.00 0.00 N ATOM 373 CA VAL A 28 -2.800 9.476 6.832 1.00 0.00 C ATOM 374 C VAL A 28 -1.607 9.667 7.762 1.00 0.00 C ATOM 375 O VAL A 28 -0.615 10.292 7.392 1.00 0.00 O ATOM 376 CB VAL A 28 -3.013 7.961 6.587 1.00 0.00 C ATOM 377 CG1 VAL A 28 -4.278 7.702 5.779 1.00 0.00 C ATOM 378 CG2 VAL A 28 -1.803 7.341 5.905 1.00 0.00 C ATOM 0 H VAL A 28 -1.669 10.131 5.193 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.705 9.872 7.292 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.135 7.486 7.561 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.398 6.630 5.625 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.141 8.090 6.320 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.201 8.201 4.813 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.980 6.277 5.746 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.637 7.829 4.945 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.923 7.472 6.535 1.00 0.00 H new ATOM 388 N THR A 29 -1.722 9.159 8.975 1.00 0.00 N ATOM 389 CA THR A 29 -0.627 9.199 9.926 1.00 0.00 C ATOM 390 C THR A 29 0.307 8.009 9.723 1.00 0.00 C ATOM 391 O THR A 29 -0.045 7.058 9.030 1.00 0.00 O ATOM 392 CB THR A 29 -1.169 9.170 11.358 1.00 0.00 C ATOM 393 OG1 THR A 29 -2.033 8.034 11.517 1.00 0.00 O ATOM 394 CG2 THR A 29 -1.932 10.447 11.676 1.00 0.00 C ATOM 0 H THR A 29 -2.568 8.711 9.326 1.00 0.00 H new ATOM 0 HA THR A 29 -0.072 10.123 9.762 1.00 0.00 H new ATOM 0 HB THR A 29 -0.329 9.094 12.048 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.618 8.174 12.291 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.307 10.402 12.699 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.267 11.304 11.571 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.770 10.551 10.987 1.00 0.00 H new ATOM 402 N GLU A 30 1.489 8.054 10.332 1.00 0.00 N ATOM 403 CA GLU A 30 2.394 6.906 10.321 1.00 0.00 C ATOM 404 C GLU A 30 1.773 5.782 11.125 1.00 0.00 C ATOM 405 O GLU A 30 1.957 4.600 10.834 1.00 0.00 O ATOM 406 CB GLU A 30 3.746 7.270 10.924 1.00 0.00 C ATOM 407 CG GLU A 30 4.317 8.556 10.375 1.00 0.00 C ATOM 408 CD GLU A 30 5.735 8.792 10.818 1.00 0.00 C ATOM 409 OE1 GLU A 30 6.625 8.027 10.397 1.00 0.00 O ATOM 410 OE2 GLU A 30 5.972 9.734 11.601 1.00 0.00 O ATOM 0 H GLU A 30 1.842 8.867 10.837 1.00 0.00 H new ATOM 0 HA GLU A 30 2.551 6.594 9.289 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.642 7.359 12.005 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.450 6.459 10.737 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.279 8.531 9.286 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.696 9.392 10.696 1.00 0.00 H new ATOM 417 N ASP A 31 1.043 6.191 12.151 1.00 0.00 N ATOM 418 CA ASP A 31 0.228 5.301 12.961 1.00 0.00 C ATOM 419 C ASP A 31 -0.638 4.437 12.068 1.00 0.00 C ATOM 420 O ASP A 31 -0.586 3.208 12.102 1.00 0.00 O ATOM 421 CB ASP A 31 -0.685 6.153 13.832 1.00 0.00 C ATOM 422 CG ASP A 31 -1.291 5.395 14.995 1.00 0.00 C ATOM 423 OD1 ASP A 31 -0.588 5.191 16.005 1.00 0.00 O ATOM 424 OD2 ASP A 31 -2.482 5.026 14.916 1.00 0.00 O ATOM 0 H ASP A 31 1.000 7.166 12.448 1.00 0.00 H new ATOM 0 HA ASP A 31 0.873 4.666 13.568 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.119 7.001 14.217 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.487 6.559 13.216 1.00 0.00 H new ATOM 429 N GLN A 32 -1.422 5.120 11.258 1.00 0.00 N ATOM 430 CA GLN A 32 -2.357 4.491 10.354 1.00 0.00 C ATOM 431 C GLN A 32 -1.628 3.825 9.191 1.00 0.00 C ATOM 432 O GLN A 32 -2.059 2.787 8.694 1.00 0.00 O ATOM 433 CB GLN A 32 -3.319 5.557 9.837 1.00 0.00 C ATOM 434 CG GLN A 32 -4.472 5.015 9.024 1.00 0.00 C ATOM 435 CD GLN A 32 -5.371 4.085 9.814 1.00 0.00 C ATOM 436 OE1 GLN A 32 -5.486 4.334 11.109 1.00 0.00 O flip ATOM 437 NE2 GLN A 32 -5.970 3.160 9.261 1.00 0.00 N flip ATOM 0 H GLN A 32 -1.426 6.139 11.210 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.908 3.714 10.884 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.718 6.112 10.686 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.761 6.267 9.226 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.064 5.848 8.645 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.079 4.482 8.158 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.853 3.003 8.260 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.582 2.552 9.805 1.00 0.00 H new ATOM 446 N PHE A 33 -0.522 4.426 8.769 1.00 0.00 N ATOM 447 CA PHE A 33 0.243 3.935 7.628 1.00 0.00 C ATOM 448 C PHE A 33 0.865 2.578 7.929 1.00 0.00 C ATOM 449 O PHE A 33 0.718 1.639 7.150 1.00 0.00 O ATOM 450 CB PHE A 33 1.331 4.939 7.252 1.00 0.00 C ATOM 451 CG PHE A 33 1.983 4.668 5.925 1.00 0.00 C ATOM 452 CD1 PHE A 33 1.347 5.022 4.745 1.00 0.00 C ATOM 453 CD2 PHE A 33 3.231 4.068 5.855 1.00 0.00 C ATOM 454 CE1 PHE A 33 1.943 4.780 3.521 1.00 0.00 C ATOM 455 CE2 PHE A 33 3.831 3.824 4.635 1.00 0.00 C ATOM 456 CZ PHE A 33 3.186 4.181 3.467 1.00 0.00 C ATOM 0 H PHE A 33 -0.132 5.262 9.204 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.441 3.817 6.787 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.897 5.939 7.234 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.096 4.937 8.028 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.375 5.492 4.782 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.740 3.788 6.765 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.437 5.059 2.609 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.803 3.355 4.594 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.654 3.992 2.512 1.00 0.00 H new ATOM 466 N ASP A 34 1.556 2.477 9.059 1.00 0.00 N ATOM 467 CA ASP A 34 2.176 1.216 9.454 1.00 0.00 C ATOM 468 C ASP A 34 1.107 0.162 9.669 1.00 0.00 C ATOM 469 O ASP A 34 1.222 -0.957 9.182 1.00 0.00 O ATOM 470 CB ASP A 34 3.008 1.380 10.729 1.00 0.00 C ATOM 471 CG ASP A 34 3.634 0.071 11.185 1.00 0.00 C ATOM 472 OD1 ASP A 34 4.683 -0.316 10.635 1.00 0.00 O ATOM 473 OD2 ASP A 34 3.077 -0.572 12.103 1.00 0.00 O ATOM 0 H ASP A 34 1.701 3.246 9.713 1.00 0.00 H new ATOM 0 HA ASP A 34 2.844 0.902 8.652 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.794 2.114 10.555 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.375 1.774 11.524 1.00 0.00 H new ATOM 478 N ASP A 35 0.052 0.550 10.374 1.00 0.00 N ATOM 479 CA ASP A 35 -1.084 -0.328 10.626 1.00 0.00 C ATOM 480 C ASP A 35 -1.687 -0.825 9.309 1.00 0.00 C ATOM 481 O ASP A 35 -2.016 -2.003 9.169 1.00 0.00 O ATOM 482 CB ASP A 35 -2.128 0.423 11.465 1.00 0.00 C ATOM 483 CG ASP A 35 -3.388 -0.378 11.733 1.00 0.00 C ATOM 484 OD1 ASP A 35 -3.285 -1.562 12.112 1.00 0.00 O ATOM 485 OD2 ASP A 35 -4.492 0.193 11.590 1.00 0.00 O ATOM 0 H ASP A 35 -0.041 1.479 10.786 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.748 -1.204 11.181 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.680 0.707 12.417 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.398 1.346 10.952 1.00 0.00 H new ATOM 490 N ALA A 36 -1.801 0.075 8.334 1.00 0.00 N ATOM 491 CA ALA A 36 -2.311 -0.286 7.016 1.00 0.00 C ATOM 492 C ALA A 36 -1.356 -1.217 6.273 1.00 0.00 C ATOM 493 O ALA A 36 -1.742 -2.309 5.862 1.00 0.00 O ATOM 494 CB ALA A 36 -2.571 0.962 6.187 1.00 0.00 C ATOM 0 H ALA A 36 -1.547 1.058 8.433 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.249 -0.821 7.166 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.951 0.675 5.207 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.307 1.588 6.692 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.642 1.519 6.067 1.00 0.00 H new ATOM 500 N VAL A 37 -0.111 -0.782 6.114 1.00 0.00 N ATOM 501 CA VAL A 37 0.882 -1.543 5.357 1.00 0.00 C ATOM 502 C VAL A 37 1.151 -2.900 6.008 1.00 0.00 C ATOM 503 O VAL A 37 1.374 -3.894 5.320 1.00 0.00 O ATOM 504 CB VAL A 37 2.206 -0.755 5.211 1.00 0.00 C ATOM 505 CG1 VAL A 37 3.252 -1.578 4.476 1.00 0.00 C ATOM 506 CG2 VAL A 37 1.966 0.560 4.480 1.00 0.00 C ATOM 0 H VAL A 37 0.237 0.096 6.499 1.00 0.00 H new ATOM 0 HA VAL A 37 0.469 -1.709 4.362 1.00 0.00 H new ATOM 0 HB VAL A 37 2.580 -0.539 6.212 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.172 -1.001 4.387 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.451 -2.494 5.032 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.884 -1.830 3.481 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.907 1.101 4.386 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.564 0.356 3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.255 1.164 5.043 1.00 0.00 H new ATOM 516 N ASN A 38 1.110 -2.940 7.334 1.00 0.00 N ATOM 517 CA ASN A 38 1.296 -4.186 8.066 1.00 0.00 C ATOM 518 C ASN A 38 0.169 -5.158 7.762 1.00 0.00 C ATOM 519 O ASN A 38 0.412 -6.330 7.487 1.00 0.00 O ATOM 520 CB ASN A 38 1.376 -3.926 9.569 1.00 0.00 C ATOM 521 CG ASN A 38 2.765 -4.168 10.114 1.00 0.00 C ATOM 522 OD1 ASN A 38 3.460 -5.089 9.684 1.00 0.00 O ATOM 523 ND2 ASN A 38 3.196 -3.321 11.031 1.00 0.00 N ATOM 0 H ASN A 38 0.950 -2.124 7.924 1.00 0.00 H new ATOM 0 HA ASN A 38 2.237 -4.630 7.742 1.00 0.00 H new ATOM 0 HB2 ASN A 38 1.080 -2.897 9.775 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.666 -4.571 10.087 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.138 -3.416 11.411 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.587 -2.572 11.360 1.00 0.00 H new ATOM 530 N PHE A 39 -1.061 -4.659 7.785 1.00 0.00 N ATOM 531 CA PHE A 39 -2.222 -5.470 7.440 1.00 0.00 C ATOM 532 C PHE A 39 -2.115 -5.950 5.993 1.00 0.00 C ATOM 533 O PHE A 39 -2.408 -7.105 5.683 1.00 0.00 O ATOM 534 CB PHE A 39 -3.509 -4.662 7.643 1.00 0.00 C ATOM 535 CG PHE A 39 -4.763 -5.431 7.344 1.00 0.00 C ATOM 536 CD1 PHE A 39 -5.240 -6.378 8.236 1.00 0.00 C ATOM 537 CD2 PHE A 39 -5.463 -5.208 6.169 1.00 0.00 C ATOM 538 CE1 PHE A 39 -6.394 -7.087 7.962 1.00 0.00 C ATOM 539 CE2 PHE A 39 -6.618 -5.912 5.891 1.00 0.00 C ATOM 540 CZ PHE A 39 -7.082 -6.854 6.788 1.00 0.00 C ATOM 0 H PHE A 39 -1.280 -3.696 8.039 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.253 -6.341 8.094 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.547 -4.311 8.674 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.476 -3.778 7.006 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.704 -6.564 9.155 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.101 -4.475 5.463 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.757 -7.822 8.665 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.157 -5.726 4.974 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.983 -7.408 6.571 1.00 0.00 H new ATOM 550 N LEU A 40 -1.673 -5.057 5.116 1.00 0.00 N ATOM 551 CA LEU A 40 -1.487 -5.386 3.708 1.00 0.00 C ATOM 552 C LEU A 40 -0.395 -6.440 3.528 1.00 0.00 C ATOM 553 O LEU A 40 -0.528 -7.347 2.710 1.00 0.00 O ATOM 554 CB LEU A 40 -1.140 -4.126 2.915 1.00 0.00 C ATOM 555 CG LEU A 40 -2.228 -3.052 2.895 1.00 0.00 C ATOM 556 CD1 LEU A 40 -1.717 -1.787 2.224 1.00 0.00 C ATOM 557 CD2 LEU A 40 -3.467 -3.570 2.180 1.00 0.00 C ATOM 0 H LEU A 40 -1.436 -4.095 5.357 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.422 -5.800 3.330 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.231 -3.692 3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.915 -4.412 1.888 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.495 -2.810 3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.505 -1.034 2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.855 -1.407 2.773 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.424 -2.012 1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.234 -2.795 2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.211 -3.836 1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.846 -4.450 2.699 1.00 0.00 H new ATOM 569 N LYS A 41 0.678 -6.321 4.301 1.00 0.00 N ATOM 570 CA LYS A 41 1.781 -7.272 4.233 1.00 0.00 C ATOM 571 C LYS A 41 1.353 -8.609 4.835 1.00 0.00 C ATOM 572 O LYS A 41 1.757 -9.673 4.364 1.00 0.00 O ATOM 573 CB LYS A 41 3.009 -6.710 4.962 1.00 0.00 C ATOM 574 CG LYS A 41 4.289 -7.504 4.724 1.00 0.00 C ATOM 575 CD LYS A 41 4.696 -8.333 5.940 1.00 0.00 C ATOM 576 CE LYS A 41 5.540 -7.537 6.932 1.00 0.00 C ATOM 577 NZ LYS A 41 4.790 -6.410 7.548 1.00 0.00 N ATOM 0 H LYS A 41 0.808 -5.574 4.983 1.00 0.00 H new ATOM 0 HA LYS A 41 2.051 -7.435 3.190 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.168 -5.680 4.643 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.803 -6.684 6.032 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.150 -8.164 3.868 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.097 -6.818 4.469 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.801 -8.700 6.442 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.257 -9.207 5.609 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.896 -8.204 7.717 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.421 -7.147 6.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.261 -6.120 8.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.766 -5.607 6.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.818 -6.714 7.759 1.00 0.00 H new ATOM 591 N ARG A 42 0.516 -8.537 5.867 1.00 0.00 N ATOM 592 CA ARG A 42 -0.026 -9.723 6.523 1.00 0.00 C ATOM 593 C ARG A 42 -0.842 -10.558 5.537 1.00 0.00 C ATOM 594 O ARG A 42 -0.602 -11.757 5.372 1.00 0.00 O ATOM 595 CB ARG A 42 -0.914 -9.307 7.700 1.00 0.00 C ATOM 596 CG ARG A 42 -1.459 -10.469 8.513 1.00 0.00 C ATOM 597 CD ARG A 42 -2.602 -10.022 9.411 1.00 0.00 C ATOM 598 NE ARG A 42 -3.028 -11.067 10.342 1.00 0.00 N ATOM 599 CZ ARG A 42 -4.167 -11.752 10.238 1.00 0.00 C ATOM 600 NH1 ARG A 42 -4.958 -11.586 9.185 1.00 0.00 N ATOM 601 NH2 ARG A 42 -4.496 -12.630 11.180 1.00 0.00 N ATOM 0 H ARG A 42 0.195 -7.657 6.271 1.00 0.00 H new ATOM 0 HA ARG A 42 0.806 -10.325 6.889 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.341 -8.655 8.359 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.751 -8.721 7.320 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.806 -11.255 7.842 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.662 -10.897 9.120 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.293 -9.142 9.975 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.449 -9.724 8.793 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.411 -11.287 11.124 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.696 -10.931 8.448 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.828 -12.114 9.112 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.878 -12.777 11.978 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.366 -13.156 11.105 1.00 0.00 H new ATOM 615 N GLU A 43 -1.796 -9.913 4.877 1.00 0.00 N ATOM 616 CA GLU A 43 -2.679 -10.598 3.942 1.00 0.00 C ATOM 617 C GLU A 43 -1.945 -10.934 2.642 1.00 0.00 C ATOM 618 O GLU A 43 -2.281 -11.907 1.964 1.00 0.00 O ATOM 619 CB GLU A 43 -3.909 -9.736 3.649 1.00 0.00 C ATOM 620 CG GLU A 43 -4.609 -9.218 4.899 1.00 0.00 C ATOM 621 CD GLU A 43 -5.065 -10.325 5.827 1.00 0.00 C ATOM 622 OE1 GLU A 43 -6.192 -10.833 5.647 1.00 0.00 O ATOM 623 OE2 GLU A 43 -4.304 -10.688 6.746 1.00 0.00 O ATOM 0 H GLU A 43 -1.978 -8.914 4.973 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.003 -11.532 4.400 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.608 -8.888 3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.618 -10.319 3.062 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.932 -8.555 5.439 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.472 -8.621 4.604 1.00 0.00 H new ATOM 630 N GLY A 44 -0.947 -10.127 2.300 1.00 0.00 N ATOM 631 CA GLY A 44 -0.123 -10.408 1.135 1.00 0.00 C ATOM 632 C GLY A 44 -0.486 -9.554 -0.067 1.00 0.00 C ATOM 633 O GLY A 44 -0.517 -10.040 -1.196 1.00 0.00 O ATOM 0 H GLY A 44 -0.692 -9.281 2.809 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.924 -10.243 1.389 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.224 -11.460 0.870 1.00 0.00 H new ATOM 637 N TYR A 45 -0.761 -8.281 0.171 1.00 0.00 N ATOM 638 CA TYR A 45 -1.107 -7.363 -0.907 1.00 0.00 C ATOM 639 C TYR A 45 0.134 -6.692 -1.482 1.00 0.00 C ATOM 640 O TYR A 45 0.188 -6.396 -2.675 1.00 0.00 O ATOM 641 CB TYR A 45 -2.096 -6.304 -0.420 1.00 0.00 C ATOM 642 CG TYR A 45 -3.496 -6.835 -0.201 1.00 0.00 C ATOM 643 CD1 TYR A 45 -4.347 -7.059 -1.278 1.00 0.00 C ATOM 644 CD2 TYR A 45 -3.970 -7.108 1.078 1.00 0.00 C ATOM 645 CE1 TYR A 45 -5.627 -7.540 -1.089 1.00 0.00 C ATOM 646 CE2 TYR A 45 -5.252 -7.589 1.274 1.00 0.00 C ATOM 647 CZ TYR A 45 -6.075 -7.803 0.187 1.00 0.00 C ATOM 648 OH TYR A 45 -7.352 -8.279 0.380 1.00 0.00 O ATOM 0 H TYR A 45 -0.752 -7.859 1.099 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.577 -7.948 -1.698 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.728 -5.878 0.513 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -2.134 -5.493 -1.147 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.000 -6.853 -2.280 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.328 -6.942 1.930 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.274 -7.709 -1.937 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.607 -7.796 2.273 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.510 -8.413 1.338 1.00 0.00 H new ATOM 658 N ILE A 46 1.131 -6.454 -0.641 1.00 0.00 N ATOM 659 CA ILE A 46 2.358 -5.805 -1.085 1.00 0.00 C ATOM 660 C ILE A 46 3.589 -6.478 -0.492 1.00 0.00 C ATOM 661 O ILE A 46 3.543 -7.021 0.613 1.00 0.00 O ATOM 662 CB ILE A 46 2.373 -4.289 -0.754 1.00 0.00 C ATOM 663 CG1 ILE A 46 1.726 -3.997 0.608 1.00 0.00 C ATOM 664 CG2 ILE A 46 1.672 -3.501 -1.850 1.00 0.00 C ATOM 665 CD1 ILE A 46 2.592 -4.344 1.800 1.00 0.00 C ATOM 0 H ILE A 46 1.115 -6.699 0.349 1.00 0.00 H new ATOM 0 HA ILE A 46 2.387 -5.912 -2.169 1.00 0.00 H new ATOM 0 HB ILE A 46 3.415 -3.975 -0.699 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.471 -2.938 0.656 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.791 -4.553 0.679 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.691 -2.439 -1.604 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.184 -3.662 -2.799 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.638 -3.836 -1.934 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.058 -4.106 2.720 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.826 -5.408 1.782 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.516 -3.768 1.758 1.00 0.00 H new ATOM 677 N ILE A 47 4.679 -6.456 -1.247 1.00 0.00 N ATOM 678 CA ILE A 47 5.946 -7.022 -0.801 1.00 0.00 C ATOM 679 C ILE A 47 7.087 -6.054 -1.090 1.00 0.00 C ATOM 680 O ILE A 47 6.892 -5.047 -1.768 1.00 0.00 O ATOM 681 CB ILE A 47 6.251 -8.371 -1.490 1.00 0.00 C ATOM 682 CG1 ILE A 47 6.185 -8.219 -3.017 1.00 0.00 C ATOM 683 CG2 ILE A 47 5.290 -9.447 -1.009 1.00 0.00 C ATOM 684 CD1 ILE A 47 6.554 -9.476 -3.780 1.00 0.00 C ATOM 0 H ILE A 47 4.711 -6.048 -2.181 1.00 0.00 H new ATOM 0 HA ILE A 47 5.858 -7.193 0.272 1.00 0.00 H new ATOM 0 HB ILE A 47 7.262 -8.677 -1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.176 -7.919 -3.298 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.853 -7.413 -3.321 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.521 -10.389 -1.506 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.392 -9.570 0.069 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.267 -9.153 -1.245 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.482 -9.286 -4.851 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.574 -9.767 -3.530 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.871 -10.281 -3.508 1.00 0.00 H new ATOM 696 N GLY A 48 8.270 -6.351 -0.567 1.00 0.00 N ATOM 697 CA GLY A 48 9.437 -5.530 -0.849 1.00 0.00 C ATOM 698 C GLY A 48 9.515 -4.283 0.013 1.00 0.00 C ATOM 699 O GLY A 48 10.412 -3.452 -0.159 1.00 0.00 O ATOM 0 H GLY A 48 8.445 -7.146 0.048 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.337 -6.126 -0.697 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.422 -5.237 -1.899 1.00 0.00 H new ATOM 703 N VAL A 49 8.576 -4.148 0.939 1.00 0.00 N ATOM 704 CA VAL A 49 8.572 -3.020 1.859 1.00 0.00 C ATOM 705 C VAL A 49 9.728 -3.153 2.844 1.00 0.00 C ATOM 706 O VAL A 49 9.905 -4.202 3.461 1.00 0.00 O ATOM 707 CB VAL A 49 7.240 -2.915 2.633 1.00 0.00 C ATOM 708 CG1 VAL A 49 7.225 -1.675 3.515 1.00 0.00 C ATOM 709 CG2 VAL A 49 6.064 -2.907 1.669 1.00 0.00 C ATOM 0 H VAL A 49 7.808 -4.805 1.073 1.00 0.00 H new ATOM 0 HA VAL A 49 8.688 -2.111 1.269 1.00 0.00 H new ATOM 0 HB VAL A 49 7.148 -3.789 3.278 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.277 -1.621 4.051 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.045 -1.728 4.232 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.342 -0.786 2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.133 -2.833 2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.151 -2.054 0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.064 -3.829 1.088 1.00 0.00 H new ATOM 719 N HIS A 50 10.518 -2.100 2.974 1.00 0.00 N ATOM 720 CA HIS A 50 11.707 -2.143 3.810 1.00 0.00 C ATOM 721 C HIS A 50 11.416 -1.613 5.205 1.00 0.00 C ATOM 722 O HIS A 50 11.017 -0.457 5.378 1.00 0.00 O ATOM 723 CB HIS A 50 12.845 -1.347 3.163 1.00 0.00 C ATOM 724 CG HIS A 50 13.485 -2.045 2.002 1.00 0.00 C ATOM 725 ND1 HIS A 50 12.944 -2.056 0.733 1.00 0.00 N ATOM 726 CD2 HIS A 50 14.630 -2.760 1.925 1.00 0.00 C ATOM 727 CE1 HIS A 50 13.730 -2.747 -0.071 1.00 0.00 C ATOM 728 NE2 HIS A 50 14.759 -3.183 0.625 1.00 0.00 N ATOM 0 H HIS A 50 10.358 -1.205 2.512 1.00 0.00 H new ATOM 0 HA HIS A 50 12.016 -3.184 3.902 1.00 0.00 H new ATOM 0 HB2 HIS A 50 12.458 -0.384 2.828 1.00 0.00 H new ATOM 0 HB3 HIS A 50 13.606 -1.141 3.916 1.00 0.00 H new ATOM 0 HD2 HIS A 50 15.315 -2.961 2.735 1.00 0.00 H new ATOM 0 HE1 HIS A 50 13.558 -2.925 -1.122 1.00 0.00 H new ATOM 0 HE2 HIS A 50 15.528 -3.744 0.258 1.00 0.00 H new ATOM 737 N TYR A 51 11.604 -2.470 6.195 1.00 0.00 N ATOM 738 CA TYR A 51 11.401 -2.093 7.582 1.00 0.00 C ATOM 739 C TYR A 51 12.736 -2.021 8.315 1.00 0.00 C ATOM 740 O TYR A 51 13.646 -2.804 8.045 1.00 0.00 O ATOM 741 CB TYR A 51 10.496 -3.102 8.293 1.00 0.00 C ATOM 742 CG TYR A 51 9.133 -3.285 7.660 1.00 0.00 C ATOM 743 CD1 TYR A 51 8.093 -2.399 7.923 1.00 0.00 C ATOM 744 CD2 TYR A 51 8.881 -4.359 6.816 1.00 0.00 C ATOM 745 CE1 TYR A 51 6.843 -2.583 7.363 1.00 0.00 C ATOM 746 CE2 TYR A 51 7.637 -4.545 6.249 1.00 0.00 C ATOM 747 CZ TYR A 51 6.622 -3.656 6.527 1.00 0.00 C ATOM 748 OH TYR A 51 5.377 -3.849 5.972 1.00 0.00 O ATOM 0 H TYR A 51 11.899 -3.437 6.061 1.00 0.00 H new ATOM 0 HA TYR A 51 10.924 -1.113 7.593 1.00 0.00 H new ATOM 0 HB2 TYR A 51 11.002 -4.067 8.320 1.00 0.00 H new ATOM 0 HB3 TYR A 51 10.362 -2.784 9.327 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.265 -1.555 8.574 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.673 -5.061 6.600 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.044 -1.890 7.579 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.460 -5.383 5.591 1.00 0.00 H new ATOM 0 HH TYR A 51 5.442 -4.496 5.239 1.00 0.00 H new ATOM 793 N ARG A 55 8.410 1.317 11.048 1.00 0.00 N ATOM 794 CA ARG A 55 7.541 2.273 10.395 1.00 0.00 C ATOM 795 C ARG A 55 7.928 2.257 8.921 1.00 0.00 C ATOM 796 O ARG A 55 9.065 2.575 8.574 1.00 0.00 O ATOM 797 CB ARG A 55 7.719 3.670 11.000 1.00 0.00 C ATOM 798 CG ARG A 55 7.039 3.831 12.349 1.00 0.00 C ATOM 799 CD ARG A 55 7.712 4.894 13.196 1.00 0.00 C ATOM 800 NE ARG A 55 7.744 6.196 12.540 1.00 0.00 N ATOM 801 CZ ARG A 55 8.447 7.231 12.996 1.00 0.00 C ATOM 802 NH1 ARG A 55 9.161 7.116 14.108 1.00 0.00 N ATOM 803 NH2 ARG A 55 8.425 8.380 12.342 1.00 0.00 N ATOM 0 HA ARG A 55 6.491 2.013 10.526 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.783 3.878 11.110 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.319 4.412 10.308 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.992 4.095 12.199 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.055 2.879 12.880 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.186 4.983 14.146 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.731 4.581 13.424 1.00 0.00 H new ATOM 0 HE ARG A 55 7.199 6.321 11.687 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.173 6.232 14.617 1.00 0.00 H new ATOM 0 HH12 ARG A 55 9.698 7.911 14.454 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.871 8.472 11.491 1.00 0.00 H new ATOM 0 HH22 ARG A 55 8.962 9.175 12.689 1.00 0.00 H new ATOM 817 N PRO A 56 7.011 1.845 8.049 1.00 0.00 N ATOM 818 CA PRO A 56 7.335 1.494 6.664 1.00 0.00 C ATOM 819 C PRO A 56 7.945 2.643 5.866 1.00 0.00 C ATOM 820 O PRO A 56 7.327 3.696 5.689 1.00 0.00 O ATOM 821 CB PRO A 56 5.987 1.085 6.063 1.00 0.00 C ATOM 822 CG PRO A 56 5.106 0.804 7.231 1.00 0.00 C ATOM 823 CD PRO A 56 5.580 1.708 8.331 1.00 0.00 C ATOM 0 HA PRO A 56 8.092 0.711 6.632 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.575 1.881 5.442 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.090 0.206 5.427 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.061 0.999 6.988 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.174 -0.242 7.529 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.070 2.671 8.310 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.402 1.274 9.315 1.00 0.00 H new ATOM 831 N HIS A 57 9.166 2.427 5.390 1.00 0.00 N ATOM 832 CA HIS A 57 9.822 3.369 4.498 1.00 0.00 C ATOM 833 C HIS A 57 9.842 2.804 3.089 1.00 0.00 C ATOM 834 O HIS A 57 10.500 1.795 2.821 1.00 0.00 O ATOM 835 CB HIS A 57 11.250 3.675 4.958 1.00 0.00 C ATOM 836 CG HIS A 57 11.325 4.513 6.193 1.00 0.00 C ATOM 837 ND1 HIS A 57 11.283 5.889 6.172 1.00 0.00 N ATOM 838 CD2 HIS A 57 11.439 4.164 7.493 1.00 0.00 C ATOM 839 CE1 HIS A 57 11.368 6.347 7.404 1.00 0.00 C ATOM 840 NE2 HIS A 57 11.463 5.321 8.227 1.00 0.00 N ATOM 0 H HIS A 57 9.723 1.601 5.610 1.00 0.00 H new ATOM 0 HA HIS A 57 9.259 4.302 4.514 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.772 2.735 5.137 1.00 0.00 H new ATOM 0 HB3 HIS A 57 11.779 4.185 4.153 1.00 0.00 H new ATOM 0 HD2 HIS A 57 11.500 3.158 7.882 1.00 0.00 H new ATOM 0 HE1 HIS A 57 11.361 7.388 7.692 1.00 0.00 H new ATOM 0 HE2 HIS A 57 11.541 5.379 9.242 1.00 0.00 H new ATOM 849 N LEU A 58 9.103 3.438 2.199 1.00 0.00 N ATOM 850 CA LEU A 58 9.005 2.978 0.826 1.00 0.00 C ATOM 851 C LEU A 58 10.118 3.577 -0.020 1.00 0.00 C ATOM 852 O LEU A 58 10.537 4.711 0.202 1.00 0.00 O ATOM 853 CB LEU A 58 7.643 3.350 0.232 1.00 0.00 C ATOM 854 CG LEU A 58 6.434 2.712 0.920 1.00 0.00 C ATOM 855 CD1 LEU A 58 5.142 3.167 0.257 1.00 0.00 C ATOM 856 CD2 LEU A 58 6.550 1.195 0.891 1.00 0.00 C ATOM 0 H LEU A 58 8.559 4.277 2.403 1.00 0.00 H new ATOM 0 HA LEU A 58 9.107 1.893 0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.532 4.434 0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.634 3.065 -0.820 1.00 0.00 H new ATOM 0 HG LEU A 58 6.414 3.035 1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.293 2.704 0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.058 4.251 0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.148 2.872 -0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.683 0.754 1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.592 0.853 -0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.458 0.889 1.412 1.00 0.00 H new ATOM 868 N TYR A 59 10.593 2.804 -0.984 1.00 0.00 N ATOM 869 CA TYR A 59 11.617 3.262 -1.908 1.00 0.00 C ATOM 870 C TYR A 59 11.164 2.964 -3.324 1.00 0.00 C ATOM 871 O TYR A 59 10.161 2.287 -3.515 1.00 0.00 O ATOM 872 CB TYR A 59 12.958 2.577 -1.621 1.00 0.00 C ATOM 873 CG TYR A 59 13.489 2.843 -0.229 1.00 0.00 C ATOM 874 CD1 TYR A 59 13.888 4.120 0.150 1.00 0.00 C ATOM 875 CD2 TYR A 59 13.594 1.819 0.705 1.00 0.00 C ATOM 876 CE1 TYR A 59 14.372 4.369 1.420 1.00 0.00 C ATOM 877 CE2 TYR A 59 14.076 2.063 1.977 1.00 0.00 C ATOM 878 CZ TYR A 59 14.463 3.337 2.329 1.00 0.00 C ATOM 879 OH TYR A 59 14.950 3.578 3.593 1.00 0.00 O ATOM 0 H TYR A 59 10.281 1.847 -1.147 1.00 0.00 H new ATOM 0 HA TYR A 59 11.761 4.335 -1.784 1.00 0.00 H new ATOM 0 HB2 TYR A 59 12.844 1.502 -1.758 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.693 2.915 -2.352 1.00 0.00 H new ATOM 0 HD1 TYR A 59 13.818 4.931 -0.560 1.00 0.00 H new ATOM 0 HD2 TYR A 59 13.294 0.818 0.433 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.677 5.367 1.699 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.149 1.257 2.693 1.00 0.00 H new ATOM 0 HH TYR A 59 14.947 2.745 4.109 1.00 0.00 H new ATOM 889 N LYS A 60 11.897 3.460 -4.309 1.00 0.00 N ATOM 890 CA LYS A 60 11.520 3.258 -5.704 1.00 0.00 C ATOM 891 C LYS A 60 11.889 1.859 -6.189 1.00 0.00 C ATOM 892 O LYS A 60 11.368 1.389 -7.199 1.00 0.00 O ATOM 893 CB LYS A 60 12.172 4.316 -6.594 1.00 0.00 C ATOM 894 CG LYS A 60 11.453 5.650 -6.573 1.00 0.00 C ATOM 895 CD LYS A 60 12.031 6.612 -7.594 1.00 0.00 C ATOM 896 CE LYS A 60 11.113 7.803 -7.813 1.00 0.00 C ATOM 897 NZ LYS A 60 9.785 7.384 -8.336 1.00 0.00 N ATOM 0 H LYS A 60 12.750 4.002 -4.173 1.00 0.00 H new ATOM 0 HA LYS A 60 10.437 3.359 -5.769 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.204 4.463 -6.274 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.206 3.947 -7.619 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.393 5.496 -6.776 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.526 6.088 -5.577 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.007 6.960 -7.257 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.187 6.092 -8.539 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.982 8.339 -6.873 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.578 8.497 -8.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.310 8.200 -8.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.912 6.637 -9.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.203 7.021 -7.554 1.00 0.00 H new ATOM 911 N LEU A 61 12.786 1.199 -5.472 1.00 0.00 N ATOM 912 CA LEU A 61 13.193 -0.152 -5.826 1.00 0.00 C ATOM 913 C LEU A 61 12.944 -1.089 -4.654 1.00 0.00 C ATOM 914 O LEU A 61 13.422 -0.846 -3.543 1.00 0.00 O ATOM 915 CB LEU A 61 14.676 -0.201 -6.233 1.00 0.00 C ATOM 916 CG LEU A 61 15.057 0.598 -7.486 1.00 0.00 C ATOM 917 CD1 LEU A 61 15.223 2.079 -7.176 1.00 0.00 C ATOM 918 CD2 LEU A 61 16.323 0.035 -8.105 1.00 0.00 C ATOM 0 H LEU A 61 13.245 1.576 -4.643 1.00 0.00 H new ATOM 0 HA LEU A 61 12.599 -0.473 -6.682 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.274 0.164 -5.398 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.954 -1.243 -6.392 1.00 0.00 H new ATOM 0 HG LEU A 61 14.242 0.503 -8.204 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.493 2.613 -8.087 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.286 2.476 -6.786 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.009 2.209 -6.433 1.00 0.00 H new ATOM 0 HD21 LEU A 61 16.581 0.612 -8.993 1.00 0.00 H new ATOM 0 HD22 LEU A 61 17.138 0.095 -7.384 1.00 0.00 H new ATOM 0 HD23 LEU A 61 16.160 -1.006 -8.383 1.00 0.00 H new ATOM 930 N GLY A 62 12.182 -2.146 -4.892 1.00 0.00 N ATOM 931 CA GLY A 62 11.885 -3.094 -3.838 1.00 0.00 C ATOM 932 C GLY A 62 10.398 -3.368 -3.697 1.00 0.00 C ATOM 933 O GLY A 62 9.958 -4.494 -3.934 1.00 0.00 O ATOM 0 H GLY A 62 11.764 -2.364 -5.796 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.405 -4.030 -4.040 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.271 -2.713 -2.893 1.00 0.00 H new ATOM 937 N PRO A 63 9.596 -2.357 -3.297 1.00 0.00 N ATOM 938 CA PRO A 63 8.148 -2.517 -3.107 1.00 0.00 C ATOM 939 C PRO A 63 7.425 -2.929 -4.387 1.00 0.00 C ATOM 940 O PRO A 63 7.491 -2.239 -5.408 1.00 0.00 O ATOM 941 CB PRO A 63 7.679 -1.127 -2.655 1.00 0.00 C ATOM 942 CG PRO A 63 8.907 -0.454 -2.149 1.00 0.00 C ATOM 943 CD PRO A 63 10.030 -0.985 -2.988 1.00 0.00 C ATOM 0 HA PRO A 63 7.928 -3.309 -2.391 1.00 0.00 H new ATOM 0 HB2 PRO A 63 7.236 -0.571 -3.482 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.919 -1.200 -1.877 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.827 0.629 -2.241 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.068 -0.673 -1.094 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.172 -0.394 -3.893 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.977 -0.974 -2.448 1.00 0.00 H new ATOM 951 N GLU A 64 6.746 -4.064 -4.323 1.00 0.00 N ATOM 952 CA GLU A 64 5.966 -4.559 -5.440 1.00 0.00 C ATOM 953 C GLU A 64 4.552 -4.887 -4.997 1.00 0.00 C ATOM 954 O GLU A 64 4.329 -5.329 -3.867 1.00 0.00 O ATOM 955 CB GLU A 64 6.613 -5.802 -6.054 1.00 0.00 C ATOM 956 CG GLU A 64 7.903 -5.517 -6.799 1.00 0.00 C ATOM 957 CD GLU A 64 8.485 -6.755 -7.444 1.00 0.00 C ATOM 958 OE1 GLU A 64 7.798 -7.368 -8.288 1.00 0.00 O ATOM 959 OE2 GLU A 64 9.629 -7.129 -7.108 1.00 0.00 O ATOM 0 H GLU A 64 6.722 -4.663 -3.498 1.00 0.00 H new ATOM 0 HA GLU A 64 5.933 -3.774 -6.195 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.814 -6.524 -5.263 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.904 -6.268 -6.739 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.717 -4.765 -7.566 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.632 -5.094 -6.108 1.00 0.00 H new ATOM 966 N LEU A 65 3.604 -4.654 -5.885 1.00 0.00 N ATOM 967 CA LEU A 65 2.215 -4.990 -5.628 1.00 0.00 C ATOM 968 C LEU A 65 1.919 -6.374 -6.188 1.00 0.00 C ATOM 969 O LEU A 65 2.231 -6.654 -7.348 1.00 0.00 O ATOM 970 CB LEU A 65 1.299 -3.940 -6.260 1.00 0.00 C ATOM 971 CG LEU A 65 0.385 -3.197 -5.282 1.00 0.00 C ATOM 972 CD1 LEU A 65 -0.150 -1.926 -5.918 1.00 0.00 C ATOM 973 CD2 LEU A 65 -0.769 -4.088 -4.851 1.00 0.00 C ATOM 0 H LEU A 65 3.772 -4.230 -6.797 1.00 0.00 H new ATOM 0 HA LEU A 65 2.032 -4.999 -4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.917 -3.209 -6.781 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.679 -4.428 -7.012 1.00 0.00 H new ATOM 0 HG LEU A 65 0.970 -2.930 -4.402 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.798 -1.410 -5.210 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.682 -1.276 -6.189 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.719 -2.179 -6.813 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.409 -3.544 -4.156 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.350 -4.380 -5.726 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.377 -4.980 -4.362 1.00 0.00 H new ATOM 985 N THR A 66 1.323 -7.231 -5.372 1.00 0.00 N ATOM 986 CA THR A 66 1.090 -8.613 -5.765 1.00 0.00 C ATOM 987 C THR A 66 -0.136 -8.723 -6.660 1.00 0.00 C ATOM 988 O THR A 66 -0.924 -7.779 -6.764 1.00 0.00 O ATOM 989 CB THR A 66 0.896 -9.518 -4.530 1.00 0.00 C ATOM 990 OG1 THR A 66 -0.230 -9.070 -3.760 1.00 0.00 O ATOM 991 CG2 THR A 66 2.145 -9.514 -3.660 1.00 0.00 C ATOM 0 H THR A 66 0.993 -6.995 -4.436 1.00 0.00 H new ATOM 0 HA THR A 66 1.970 -8.945 -6.315 1.00 0.00 H new ATOM 0 HB THR A 66 0.713 -10.535 -4.877 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.192 -9.466 -2.865 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.988 -10.158 -2.795 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.992 -9.883 -4.238 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.351 -8.498 -3.323 1.00 0.00 H new ATOM 999 N GLU A 67 -0.287 -9.873 -7.311 1.00 0.00 N ATOM 1000 CA GLU A 67 -1.460 -10.145 -8.139 1.00 0.00 C ATOM 1001 C GLU A 67 -2.731 -9.969 -7.316 1.00 0.00 C ATOM 1002 O GLU A 67 -3.743 -9.456 -7.805 1.00 0.00 O ATOM 1003 CB GLU A 67 -1.391 -11.568 -8.703 1.00 0.00 C ATOM 1004 CG GLU A 67 -2.605 -11.966 -9.526 1.00 0.00 C ATOM 1005 CD GLU A 67 -2.513 -13.386 -10.036 1.00 0.00 C ATOM 1006 OE1 GLU A 67 -2.942 -14.309 -9.310 1.00 0.00 O ATOM 1007 OE2 GLU A 67 -2.007 -13.588 -11.158 1.00 0.00 O ATOM 0 H GLU A 67 0.391 -10.635 -7.281 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.476 -9.439 -8.970 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.499 -11.659 -9.323 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.279 -12.270 -7.877 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.504 -11.858 -8.919 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.707 -11.285 -10.371 1.00 0.00 H new ATOM 1014 N LYS A 68 -2.650 -10.396 -6.062 1.00 0.00 N ATOM 1015 CA LYS A 68 -3.734 -10.252 -5.103 1.00 0.00 C ATOM 1016 C LYS A 68 -4.212 -8.805 -5.042 1.00 0.00 C ATOM 1017 O LYS A 68 -5.393 -8.518 -5.259 1.00 0.00 O ATOM 1018 CB LYS A 68 -3.244 -10.697 -3.723 1.00 0.00 C ATOM 1019 CG LYS A 68 -4.338 -10.808 -2.675 1.00 0.00 C ATOM 1020 CD LYS A 68 -3.746 -11.093 -1.306 1.00 0.00 C ATOM 1021 CE LYS A 68 -4.802 -11.562 -0.321 1.00 0.00 C ATOM 1022 NZ LYS A 68 -5.340 -12.897 -0.691 1.00 0.00 N ATOM 0 H LYS A 68 -1.823 -10.855 -5.681 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.572 -10.875 -5.417 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.751 -11.664 -3.820 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.492 -9.990 -3.372 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.912 -9.882 -2.642 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.031 -11.603 -2.949 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.970 -11.853 -1.397 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.266 -10.192 -0.923 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.373 -11.607 0.680 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.616 -10.838 -0.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.785 -13.335 0.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.048 -12.789 -1.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.564 -13.503 -1.028 1.00 0.00 H new ATOM 1036 N GLY A 69 -3.279 -7.898 -4.776 1.00 0.00 N ATOM 1037 CA GLY A 69 -3.616 -6.498 -4.621 1.00 0.00 C ATOM 1038 C GLY A 69 -3.878 -5.802 -5.941 1.00 0.00 C ATOM 1039 O GLY A 69 -4.752 -4.943 -6.026 1.00 0.00 O ATOM 0 H GLY A 69 -2.288 -8.111 -4.664 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.500 -6.411 -3.989 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.803 -5.989 -4.104 1.00 0.00 H new ATOM 1043 N GLU A 70 -3.134 -6.180 -6.973 1.00 0.00 N ATOM 1044 CA GLU A 70 -3.249 -5.538 -8.277 1.00 0.00 C ATOM 1045 C GLU A 70 -4.641 -5.755 -8.870 1.00 0.00 C ATOM 1046 O GLU A 70 -5.233 -4.836 -9.438 1.00 0.00 O ATOM 1047 CB GLU A 70 -2.169 -6.070 -9.223 1.00 0.00 C ATOM 1048 CG GLU A 70 -1.975 -5.220 -10.465 1.00 0.00 C ATOM 1049 CD GLU A 70 -0.810 -5.683 -11.313 1.00 0.00 C ATOM 1050 OE1 GLU A 70 0.349 -5.393 -10.950 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -1.047 -6.333 -12.352 1.00 0.00 O ATOM 0 H GLU A 70 -2.443 -6.929 -6.932 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.103 -4.465 -8.148 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.224 -6.131 -8.684 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.430 -7.084 -9.525 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.886 -5.244 -11.063 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.815 -4.183 -10.169 1.00 0.00 H new ATOM 1058 N ASN A 71 -5.171 -6.966 -8.717 1.00 0.00 N ATOM 1059 CA ASN A 71 -6.524 -7.272 -9.186 1.00 0.00 C ATOM 1060 C ASN A 71 -7.559 -6.653 -8.261 1.00 0.00 C ATOM 1061 O ASN A 71 -8.658 -6.305 -8.684 1.00 0.00 O ATOM 1062 CB ASN A 71 -6.749 -8.785 -9.278 1.00 0.00 C ATOM 1063 CG ASN A 71 -6.099 -9.400 -10.501 1.00 0.00 C ATOM 1064 OD1 ASN A 71 -6.709 -9.486 -11.567 1.00 0.00 O ATOM 1065 ND2 ASN A 71 -4.860 -9.836 -10.357 1.00 0.00 N ATOM 0 H ASN A 71 -4.689 -7.749 -8.275 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.634 -6.846 -10.183 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.352 -9.262 -8.382 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -7.820 -8.988 -9.300 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.374 -10.262 -11.146 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.389 -9.746 -9.457 1.00 0.00 H new ATOM 1072 N TYR A 72 -7.191 -6.517 -6.995 1.00 0.00 N ATOM 1073 CA TYR A 72 -8.063 -5.934 -5.983 1.00 0.00 C ATOM 1074 C TYR A 72 -8.332 -4.460 -6.299 1.00 0.00 C ATOM 1075 O TYR A 72 -9.374 -3.909 -5.943 1.00 0.00 O ATOM 1076 CB TYR A 72 -7.384 -6.080 -4.618 1.00 0.00 C ATOM 1077 CG TYR A 72 -8.303 -6.014 -3.419 1.00 0.00 C ATOM 1078 CD1 TYR A 72 -9.466 -6.773 -3.359 1.00 0.00 C ATOM 1079 CD2 TYR A 72 -7.979 -5.224 -2.325 1.00 0.00 C ATOM 1080 CE1 TYR A 72 -10.280 -6.742 -2.241 1.00 0.00 C ATOM 1081 CE2 TYR A 72 -8.790 -5.183 -1.207 1.00 0.00 C ATOM 1082 CZ TYR A 72 -9.937 -5.943 -1.168 1.00 0.00 C ATOM 1083 OH TYR A 72 -10.737 -5.915 -0.049 1.00 0.00 O ATOM 0 H TYR A 72 -6.280 -6.807 -6.640 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.022 -6.452 -5.973 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.855 -7.033 -4.596 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -6.633 -5.296 -4.521 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -9.738 -7.396 -4.198 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.077 -4.631 -2.348 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -11.179 -7.339 -2.207 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.525 -4.557 -0.367 1.00 0.00 H new ATOM 0 HH TYR A 72 -10.352 -5.303 0.613 1.00 0.00 H new ATOM 1093 N LEU A 73 -7.385 -3.841 -6.996 1.00 0.00 N ATOM 1094 CA LEU A 73 -7.462 -2.430 -7.358 1.00 0.00 C ATOM 1095 C LEU A 73 -8.550 -2.155 -8.394 1.00 0.00 C ATOM 1096 O LEU A 73 -8.949 -1.005 -8.575 1.00 0.00 O ATOM 1097 CB LEU A 73 -6.119 -1.938 -7.888 1.00 0.00 C ATOM 1098 CG LEU A 73 -4.973 -1.940 -6.876 1.00 0.00 C ATOM 1099 CD1 LEU A 73 -3.685 -1.472 -7.533 1.00 0.00 C ATOM 1100 CD2 LEU A 73 -5.313 -1.055 -5.689 1.00 0.00 C ATOM 0 H LEU A 73 -6.539 -4.305 -7.327 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.720 -1.887 -6.449 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.833 -2.560 -8.736 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.246 -0.923 -8.265 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.829 -2.960 -6.518 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.879 -1.479 -6.799 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.433 -2.141 -8.356 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.819 -0.460 -7.916 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.487 -1.067 -4.978 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.481 -0.034 -6.033 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.215 -1.428 -5.204 1.00 0.00 H new ATOM 1112 N LYS A 74 -8.985 -3.200 -9.099 1.00 0.00 N ATOM 1113 CA LYS A 74 -9.961 -3.075 -10.187 1.00 0.00 C ATOM 1114 C LYS A 74 -11.152 -2.182 -9.808 1.00 0.00 C ATOM 1115 O LYS A 74 -11.540 -1.296 -10.571 1.00 0.00 O ATOM 1116 CB LYS A 74 -10.464 -4.462 -10.598 1.00 0.00 C ATOM 1117 CG LYS A 74 -11.361 -4.449 -11.825 1.00 0.00 C ATOM 1118 CD LYS A 74 -11.928 -5.827 -12.121 1.00 0.00 C ATOM 1119 CE LYS A 74 -12.829 -5.809 -13.347 1.00 0.00 C ATOM 1120 NZ LYS A 74 -12.068 -5.539 -14.596 1.00 0.00 N ATOM 0 H LYS A 74 -8.672 -4.157 -8.934 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.451 -2.599 -11.024 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.607 -5.106 -10.793 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.011 -4.902 -9.764 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.178 -3.745 -11.671 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.794 -4.096 -12.686 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.111 -6.531 -12.279 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.492 -6.182 -11.259 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.341 -6.768 -13.435 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.598 -5.047 -13.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.683 -5.702 -15.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.742 -4.551 -14.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.246 -6.175 -14.646 1.00 0.00 H new