USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 811 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 71 HIS : no HE2:sc= -2.95! C(o=-3!,f=-4.2!) USER MOD Set 1.2: B 13 SER OG : rot -150:sc= 0 USER MOD Set 2.1: A 53 HIS : no HD1:sc= -1.2 K(o=-0.47,f=-2.3) USER MOD Set 2.2: A 91 LYS NZ :NH3+ 142:sc= 0.737 (180deg=1.2) USER MOD Single : A 2 LYS NZ :NH3+ 160:sc= 2.46 (180deg=2.04) USER MOD Single : A 13 LYS NZ :NH3+ -157:sc= 0.915 (180deg=0.644) USER MOD Single : A 14 ASN : amide:sc= 0.644 K(o=0.64,f=-6.7!) USER MOD Single : A 16 ASN : amide:sc= -0.392 X(o=-0.39,f=-0.39) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -42:sc= 1.05 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.22) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -87:sc= 0.771 USER MOD Single : A 32 HIS : no HD1:sc= 0.385 K(o=0.38,f=-2.4!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 48 SER OG : rot 78:sc= 0.242 USER MOD Single : A 54 LYS NZ :NH3+ -164:sc= -0.053 (180deg=-0.343) USER MOD Single : A 62 ASN : amide:sc= -0.191 X(o=-0.19,f=-0.15) USER MOD Single : A 65 SER OG : rot 180:sc= -0.0453 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot 96:sc= 1.2 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 81 THR OG1 : rot -91:sc= 1.14 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 86 HIS : no HD1:sc= 0.915 K(o=0.92,f=-2.7!) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 94 SER OG : rot 180:sc= -0.0097 USER MOD Single : A 96 THR OG1 : rot 41:sc= 0.422 USER MOD Single : B 1 PHE N :NH3+ 151:sc= 0.207 (180deg=0.0586) USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 9 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.13) USER MOD Single : B 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -12.150 9.482 -17.417 1.00 0.00 N ATOM 2 CA PRO A 1 -11.678 8.128 -17.030 1.00 0.00 C ATOM 3 C PRO A 1 -12.804 7.397 -16.384 1.00 0.00 C ATOM 4 O PRO A 1 -13.921 7.910 -16.355 1.00 0.00 O ATOM 5 CB PRO A 1 -10.531 8.424 -16.066 1.00 0.00 C ATOM 6 CG PRO A 1 -9.874 9.680 -16.660 1.00 0.00 C ATOM 7 CD PRO A 1 -11.084 10.501 -17.131 1.00 0.00 C ATOM 0 H2 PRO A 1 -13.000 9.714 -16.903 1.00 0.00 H new ATOM 0 H3 PRO A 1 -12.388 9.497 -18.409 1.00 0.00 H new ATOM 0 HA PRO A 1 -11.347 7.497 -17.855 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -10.894 8.602 -15.054 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -9.829 7.592 -16.011 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -9.283 10.218 -15.918 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -9.204 9.436 -17.485 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -11.406 11.206 -16.365 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -10.845 11.084 -18.020 1.00 0.00 H new ATOM 17 N LYS A 2 -12.559 6.207 -15.806 1.00 0.00 N ATOM 18 CA LYS A 2 -13.474 5.539 -14.935 1.00 0.00 C ATOM 19 C LYS A 2 -13.428 6.152 -13.578 1.00 0.00 C ATOM 20 O LYS A 2 -12.498 6.917 -13.330 1.00 0.00 O ATOM 21 CB LYS A 2 -13.191 4.027 -14.977 1.00 0.00 C ATOM 22 CG LYS A 2 -11.933 3.532 -14.261 1.00 0.00 C ATOM 23 CD LYS A 2 -11.768 2.022 -14.439 1.00 0.00 C ATOM 24 CE LYS A 2 -10.525 1.399 -13.802 1.00 0.00 C ATOM 25 NZ LYS A 2 -10.547 1.595 -12.335 1.00 0.00 N ATOM 0 H LYS A 2 -11.691 5.691 -15.951 1.00 0.00 H new ATOM 0 HA LYS A 2 -14.505 5.664 -15.266 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.050 3.510 -14.548 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.126 3.724 -16.022 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.057 4.047 -14.656 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.994 3.774 -13.200 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.648 1.530 -14.025 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.753 1.802 -15.507 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -10.484 0.335 -14.033 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -9.627 1.851 -14.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -9.913 0.906 -11.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -10.228 2.559 -12.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -11.515 1.459 -11.981 1.00 0.00 H new ATOM 39 N PRO A 3 -14.313 5.973 -12.642 1.00 0.00 N ATOM 40 CA PRO A 3 -14.391 6.825 -11.491 1.00 0.00 C ATOM 41 C PRO A 3 -13.307 6.569 -10.501 1.00 0.00 C ATOM 42 O PRO A 3 -13.027 7.428 -9.666 1.00 0.00 O ATOM 43 CB PRO A 3 -15.762 6.537 -10.884 1.00 0.00 C ATOM 44 CG PRO A 3 -16.072 5.099 -11.329 1.00 0.00 C ATOM 45 CD PRO A 3 -15.457 5.079 -12.737 1.00 0.00 C ATOM 0 HA PRO A 3 -14.264 7.870 -11.775 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -15.743 6.623 -9.798 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -16.514 7.238 -11.247 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -15.617 4.358 -10.671 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -17.143 4.896 -11.345 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -15.153 4.072 -13.024 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -16.169 5.423 -13.487 1.00 0.00 H new ATOM 53 N GLY A 4 -12.660 5.392 -10.560 1.00 0.00 N ATOM 54 CA GLY A 4 -11.420 5.137 -9.894 1.00 0.00 C ATOM 55 C GLY A 4 -10.304 5.116 -10.883 1.00 0.00 C ATOM 56 O GLY A 4 -9.973 4.059 -11.416 1.00 0.00 O ATOM 0 H GLY A 4 -13.010 4.592 -11.087 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.237 5.905 -9.143 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.469 4.183 -9.369 1.00 0.00 H new ATOM 60 N ASP A 5 -9.683 6.270 -11.185 1.00 0.00 N ATOM 61 CA ASP A 5 -8.585 6.331 -12.100 1.00 0.00 C ATOM 62 C ASP A 5 -7.313 5.796 -11.536 1.00 0.00 C ATOM 63 O ASP A 5 -7.045 5.860 -10.337 1.00 0.00 O ATOM 64 CB ASP A 5 -8.429 7.723 -12.734 1.00 0.00 C ATOM 65 CG ASP A 5 -8.422 8.881 -11.747 1.00 0.00 C ATOM 66 OD1 ASP A 5 -9.527 9.329 -11.339 1.00 0.00 O ATOM 67 OD2 ASP A 5 -7.325 9.427 -11.452 1.00 0.00 O ATOM 0 H ASP A 5 -9.946 7.173 -10.789 1.00 0.00 H new ATOM 0 HA ASP A 5 -8.837 5.653 -12.915 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -7.500 7.745 -13.303 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -9.241 7.875 -13.444 1.00 0.00 H new ATOM 72 N ILE A 6 -6.493 5.169 -12.397 1.00 0.00 N ATOM 73 CA ILE A 6 -5.217 4.613 -12.066 1.00 0.00 C ATOM 74 C ILE A 6 -4.151 5.638 -12.241 1.00 0.00 C ATOM 75 O ILE A 6 -4.127 6.413 -13.196 1.00 0.00 O ATOM 76 CB ILE A 6 -4.944 3.354 -12.835 1.00 0.00 C ATOM 77 CG1 ILE A 6 -5.798 2.217 -12.247 1.00 0.00 C ATOM 78 CG2 ILE A 6 -3.466 2.929 -12.813 1.00 0.00 C ATOM 79 CD1 ILE A 6 -6.061 1.075 -13.227 1.00 0.00 C ATOM 0 H ILE A 6 -6.734 5.043 -13.380 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.224 4.323 -11.015 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.200 3.555 -13.875 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.298 1.818 -11.364 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.752 2.626 -11.915 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.343 2.012 -13.389 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.854 3.717 -13.251 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.152 2.756 -11.783 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.669 0.312 -12.741 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.590 1.459 -14.100 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.113 0.639 -13.540 1.00 0.00 H new ATOM 91 N PHE A 7 -3.209 5.691 -11.283 1.00 0.00 N ATOM 92 CA PHE A 7 -2.155 6.657 -11.257 1.00 0.00 C ATOM 93 C PHE A 7 -0.925 6.053 -10.673 1.00 0.00 C ATOM 94 O PHE A 7 -0.974 5.021 -10.007 1.00 0.00 O ATOM 95 CB PHE A 7 -2.584 7.947 -10.537 1.00 0.00 C ATOM 96 CG PHE A 7 -2.927 7.806 -9.095 1.00 0.00 C ATOM 97 CD1 PHE A 7 -4.095 7.207 -8.686 1.00 0.00 C ATOM 98 CD2 PHE A 7 -2.084 8.327 -8.140 1.00 0.00 C ATOM 99 CE1 PHE A 7 -4.415 7.118 -7.353 1.00 0.00 C ATOM 100 CE2 PHE A 7 -2.414 8.281 -6.806 1.00 0.00 C ATOM 101 CZ PHE A 7 -3.593 7.692 -6.412 1.00 0.00 C ATOM 0 H PHE A 7 -3.180 5.039 -10.499 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.924 6.952 -12.281 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -1.779 8.676 -10.629 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.448 8.360 -11.057 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.771 6.800 -9.424 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.151 8.778 -8.443 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -5.310 6.598 -7.045 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.749 8.706 -6.069 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.872 7.680 -5.369 1.00 0.00 H new ATOM 111 N GLU A 8 0.246 6.668 -10.918 1.00 0.00 N ATOM 112 CA GLU A 8 1.478 6.278 -10.307 1.00 0.00 C ATOM 113 C GLU A 8 1.961 7.391 -9.443 1.00 0.00 C ATOM 114 O GLU A 8 1.786 8.562 -9.779 1.00 0.00 O ATOM 115 CB GLU A 8 2.544 5.861 -11.334 1.00 0.00 C ATOM 116 CG GLU A 8 2.963 6.912 -12.364 1.00 0.00 C ATOM 117 CD GLU A 8 3.956 6.322 -13.356 1.00 0.00 C ATOM 118 OE1 GLU A 8 3.569 5.481 -14.211 1.00 0.00 O ATOM 119 OE2 GLU A 8 5.149 6.727 -13.315 1.00 0.00 O ATOM 0 H GLU A 8 0.338 7.457 -11.558 1.00 0.00 H new ATOM 0 HA GLU A 8 1.294 5.393 -9.698 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.434 5.546 -10.790 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.174 4.988 -11.872 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.085 7.279 -12.895 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.411 7.767 -11.858 1.00 0.00 H new ATOM 126 N VAL A 9 2.528 7.074 -8.265 1.00 0.00 N ATOM 127 CA VAL A 9 3.148 8.024 -7.393 1.00 0.00 C ATOM 128 C VAL A 9 4.635 7.957 -7.437 1.00 0.00 C ATOM 129 O VAL A 9 5.221 6.887 -7.596 1.00 0.00 O ATOM 130 CB VAL A 9 2.681 7.929 -5.972 1.00 0.00 C ATOM 131 CG1 VAL A 9 1.216 8.396 -5.930 1.00 0.00 C ATOM 132 CG2 VAL A 9 2.851 6.505 -5.415 1.00 0.00 C ATOM 0 H VAL A 9 2.556 6.120 -7.906 1.00 0.00 H new ATOM 0 HA VAL A 9 2.830 8.992 -7.780 1.00 0.00 H new ATOM 0 HB VAL A 9 3.288 8.569 -5.332 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.845 8.339 -4.907 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.152 9.426 -6.282 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.611 7.755 -6.571 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.502 6.474 -4.383 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.268 5.807 -6.016 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.903 6.224 -5.451 1.00 0.00 H new ATOM 142 N GLU A 10 5.300 9.112 -7.253 1.00 0.00 N ATOM 143 CA GLU A 10 6.711 9.190 -7.033 1.00 0.00 C ATOM 144 C GLU A 10 6.961 9.688 -5.652 1.00 0.00 C ATOM 145 O GLU A 10 6.500 10.770 -5.292 1.00 0.00 O ATOM 146 CB GLU A 10 7.431 10.154 -7.992 1.00 0.00 C ATOM 147 CG GLU A 10 7.099 10.024 -9.480 1.00 0.00 C ATOM 148 CD GLU A 10 6.002 10.972 -9.946 1.00 0.00 C ATOM 149 OE1 GLU A 10 6.013 12.171 -9.560 1.00 0.00 O ATOM 150 OE2 GLU A 10 5.093 10.547 -10.708 1.00 0.00 O ATOM 0 H GLU A 10 4.840 10.022 -7.258 1.00 0.00 H new ATOM 0 HA GLU A 10 7.100 8.185 -7.200 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.205 11.174 -7.681 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.505 10.015 -7.870 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.001 10.212 -10.062 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.793 8.998 -9.687 1.00 0.00 H new ATOM 157 N LEU A 11 7.706 8.950 -4.809 1.00 0.00 N ATOM 158 CA LEU A 11 8.245 9.480 -3.596 1.00 0.00 C ATOM 159 C LEU A 11 9.684 9.115 -3.463 1.00 0.00 C ATOM 160 O LEU A 11 10.178 8.157 -4.056 1.00 0.00 O ATOM 161 CB LEU A 11 7.506 9.039 -2.322 1.00 0.00 C ATOM 162 CG LEU A 11 6.209 9.797 -1.993 1.00 0.00 C ATOM 163 CD1 LEU A 11 5.638 9.265 -0.667 1.00 0.00 C ATOM 164 CD2 LEU A 11 6.408 11.316 -1.862 1.00 0.00 C ATOM 0 H LEU A 11 7.937 7.970 -4.973 1.00 0.00 H new ATOM 0 HA LEU A 11 8.116 10.559 -3.679 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.270 7.979 -2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.187 9.143 -1.477 1.00 0.00 H new ATOM 0 HG LEU A 11 5.526 9.628 -2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.718 9.798 -0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.426 8.200 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.365 9.419 0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.454 11.789 -1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.120 11.522 -1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.791 11.715 -2.801 1.00 0.00 H new ATOM 176 N ALA A 12 10.425 9.893 -2.653 1.00 0.00 N ATOM 177 CA ALA A 12 11.813 9.700 -2.375 1.00 0.00 C ATOM 178 C ALA A 12 12.018 10.094 -0.953 1.00 0.00 C ATOM 179 O ALA A 12 11.415 11.062 -0.495 1.00 0.00 O ATOM 180 CB ALA A 12 12.663 10.597 -3.292 1.00 0.00 C ATOM 0 H ALA A 12 10.033 10.700 -2.167 1.00 0.00 H new ATOM 0 HA ALA A 12 12.109 8.665 -2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.720 10.443 -3.073 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.467 10.342 -4.334 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.405 11.642 -3.120 1.00 0.00 H new ATOM 186 N LYS A 13 12.830 9.351 -0.179 1.00 0.00 N ATOM 187 CA LYS A 13 12.954 9.602 1.223 1.00 0.00 C ATOM 188 C LYS A 13 13.671 10.863 1.561 1.00 0.00 C ATOM 189 O LYS A 13 14.898 10.925 1.621 1.00 0.00 O ATOM 190 CB LYS A 13 13.596 8.438 1.998 1.00 0.00 C ATOM 191 CG LYS A 13 13.467 8.575 3.516 1.00 0.00 C ATOM 192 CD LYS A 13 14.187 7.464 4.283 1.00 0.00 C ATOM 193 CE LYS A 13 13.786 7.331 5.754 1.00 0.00 C ATOM 194 NZ LYS A 13 14.115 8.542 6.537 1.00 0.00 N ATOM 0 H LYS A 13 13.399 8.578 -0.524 1.00 0.00 H new ATOM 0 HA LYS A 13 11.918 9.711 1.542 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.132 7.503 1.684 1.00 0.00 H new ATOM 0 HB3 LYS A 13 14.652 8.374 1.735 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.870 9.540 3.823 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.411 8.570 3.787 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.996 6.515 3.782 1.00 0.00 H new ATOM 0 HD3 LYS A 13 15.261 7.643 4.229 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.715 7.138 5.820 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.293 6.470 6.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.199 8.293 7.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.016 8.938 6.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.361 9.248 6.417 1.00 0.00 H new ATOM 208 N ASN A 14 12.904 11.938 1.819 1.00 0.00 N ATOM 209 CA ASN A 14 13.358 13.195 2.327 1.00 0.00 C ATOM 210 C ASN A 14 13.265 13.199 3.814 1.00 0.00 C ATOM 211 O ASN A 14 14.265 13.222 4.531 1.00 0.00 O ATOM 212 CB ASN A 14 12.640 14.372 1.647 1.00 0.00 C ATOM 213 CG ASN A 14 11.147 14.165 1.430 1.00 0.00 C ATOM 214 OD1 ASN A 14 10.373 13.923 2.354 1.00 0.00 O ATOM 215 ND2 ASN A 14 10.682 14.263 0.156 1.00 0.00 N ATOM 0 H ASN A 14 11.896 11.926 1.661 1.00 0.00 H new ATOM 0 HA ASN A 14 14.410 13.333 2.078 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.785 15.267 2.252 1.00 0.00 H new ATOM 0 HB3 ASN A 14 13.111 14.559 0.682 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.688 14.136 -0.035 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.327 14.464 -0.608 1.00 0.00 H new ATOM 222 N ASP A 15 12.035 13.148 4.354 1.00 0.00 N ATOM 223 CA ASP A 15 11.728 12.966 5.739 1.00 0.00 C ATOM 224 C ASP A 15 11.629 11.509 6.031 1.00 0.00 C ATOM 225 O ASP A 15 12.505 10.900 6.644 1.00 0.00 O ATOM 226 CB ASP A 15 10.404 13.682 6.047 1.00 0.00 C ATOM 227 CG ASP A 15 10.546 15.197 6.032 1.00 0.00 C ATOM 228 OD1 ASP A 15 11.685 15.736 6.079 1.00 0.00 O ATOM 229 OD2 ASP A 15 9.482 15.871 5.992 1.00 0.00 O ATOM 0 H ASP A 15 11.196 13.241 3.782 1.00 0.00 H new ATOM 0 HA ASP A 15 12.512 13.389 6.367 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.654 13.383 5.315 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.041 13.364 7.024 1.00 0.00 H new ATOM 234 N ASN A 16 10.556 10.864 5.540 1.00 0.00 N ATOM 235 CA ASN A 16 10.180 9.520 5.851 1.00 0.00 C ATOM 236 C ASN A 16 9.789 8.890 4.560 1.00 0.00 C ATOM 237 O ASN A 16 9.658 9.574 3.547 1.00 0.00 O ATOM 238 CB ASN A 16 9.055 9.566 6.899 1.00 0.00 C ATOM 239 CG ASN A 16 8.521 8.196 7.291 1.00 0.00 C ATOM 240 OD1 ASN A 16 7.473 7.767 6.811 1.00 0.00 O ATOM 241 ND2 ASN A 16 9.291 7.455 8.133 1.00 0.00 N ATOM 0 H ASN A 16 9.912 11.309 4.886 1.00 0.00 H new ATOM 0 HA ASN A 16 10.978 8.923 6.292 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.424 10.070 7.792 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.234 10.168 6.510 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.005 6.509 8.386 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.154 7.845 8.511 1.00 0.00 H new ATOM 248 N SER A 17 9.655 7.552 4.514 1.00 0.00 N ATOM 249 CA SER A 17 9.546 6.799 3.303 1.00 0.00 C ATOM 250 C SER A 17 8.167 6.753 2.742 1.00 0.00 C ATOM 251 O SER A 17 7.917 7.361 1.703 1.00 0.00 O ATOM 252 CB SER A 17 10.070 5.360 3.451 1.00 0.00 C ATOM 253 OG SER A 17 11.398 5.355 3.951 1.00 0.00 O ATOM 0 H SER A 17 9.621 6.973 5.353 1.00 0.00 H new ATOM 0 HA SER A 17 10.177 7.344 2.601 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.421 4.800 4.124 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.039 4.856 2.485 1.00 0.00 H new ATOM 0 HG SER A 17 11.711 4.430 4.039 1.00 0.00 H new ATOM 259 N LEU A 18 7.207 6.035 3.352 1.00 0.00 N ATOM 260 CA LEU A 18 5.881 5.937 2.825 1.00 0.00 C ATOM 261 C LEU A 18 4.965 6.838 3.578 1.00 0.00 C ATOM 262 O LEU A 18 4.738 7.972 3.159 1.00 0.00 O ATOM 263 CB LEU A 18 5.389 4.483 2.737 1.00 0.00 C ATOM 264 CG LEU A 18 6.034 3.650 1.617 1.00 0.00 C ATOM 265 CD1 LEU A 18 7.368 2.995 2.017 1.00 0.00 C ATOM 266 CD2 LEU A 18 5.088 2.546 1.115 1.00 0.00 C ATOM 0 H LEU A 18 7.352 5.517 4.219 1.00 0.00 H new ATOM 0 HA LEU A 18 5.891 6.282 1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.579 3.992 3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.309 4.488 2.591 1.00 0.00 H new ATOM 0 HG LEU A 18 6.235 4.371 0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.760 2.425 1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.084 3.768 2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.206 2.327 2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.578 1.978 0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.838 1.878 1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.176 2.998 0.725 1.00 0.00 H new ATOM 278 N GLY A 19 4.431 6.415 4.738 1.00 0.00 N ATOM 279 CA GLY A 19 3.699 7.261 5.629 1.00 0.00 C ATOM 280 C GLY A 19 2.219 7.101 5.573 1.00 0.00 C ATOM 281 O GLY A 19 1.478 8.076 5.676 1.00 0.00 O ATOM 0 H GLY A 19 4.511 5.453 5.067 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.032 7.066 6.648 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.946 8.299 5.406 1.00 0.00 H new ATOM 285 N ILE A 20 1.719 5.860 5.436 1.00 0.00 N ATOM 286 CA ILE A 20 0.313 5.607 5.379 1.00 0.00 C ATOM 287 C ILE A 20 -0.005 4.463 6.278 1.00 0.00 C ATOM 288 O ILE A 20 0.888 3.793 6.799 1.00 0.00 O ATOM 289 CB ILE A 20 -0.158 5.474 3.960 1.00 0.00 C ATOM 290 CG1 ILE A 20 -1.273 6.493 3.674 1.00 0.00 C ATOM 291 CG2 ILE A 20 -0.564 4.057 3.520 1.00 0.00 C ATOM 292 CD1 ILE A 20 -1.611 6.646 2.192 1.00 0.00 C ATOM 0 H ILE A 20 2.297 5.023 5.364 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.257 6.456 5.756 1.00 0.00 H new ATOM 0 HB ILE A 20 0.716 5.694 3.347 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.172 6.193 4.212 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.974 7.464 4.070 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.887 4.078 2.479 1.00 0.00 H new ATOM 0 HG22 ILE A 20 0.289 3.386 3.622 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.382 3.702 4.147 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.406 7.382 2.074 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.726 6.978 1.649 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.943 5.687 1.794 1.00 0.00 H new ATOM 304 N SER A 21 -1.294 4.187 6.544 1.00 0.00 N ATOM 305 CA SER A 21 -1.707 3.060 7.319 1.00 0.00 C ATOM 306 C SER A 21 -2.633 2.228 6.499 1.00 0.00 C ATOM 307 O SER A 21 -3.350 2.731 5.635 1.00 0.00 O ATOM 308 CB SER A 21 -2.302 3.457 8.680 1.00 0.00 C ATOM 309 OG SER A 21 -3.512 4.193 8.575 1.00 0.00 O ATOM 0 H SER A 21 -2.068 4.762 6.212 1.00 0.00 H new ATOM 0 HA SER A 21 -0.830 2.464 7.572 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.484 2.556 9.265 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.571 4.051 9.228 1.00 0.00 H new ATOM 0 HG SER A 21 -3.434 4.849 7.851 1.00 0.00 H new ATOM 315 N VAL A 22 -2.593 0.897 6.692 1.00 0.00 N ATOM 316 CA VAL A 22 -3.098 -0.083 5.781 1.00 0.00 C ATOM 317 C VAL A 22 -4.066 -0.978 6.478 1.00 0.00 C ATOM 318 O VAL A 22 -3.949 -1.234 7.675 1.00 0.00 O ATOM 319 CB VAL A 22 -1.945 -0.867 5.229 1.00 0.00 C ATOM 320 CG1 VAL A 22 -2.295 -2.261 4.679 1.00 0.00 C ATOM 321 CG2 VAL A 22 -1.262 -0.053 4.117 1.00 0.00 C ATOM 0 H VAL A 22 -2.186 0.483 7.530 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.625 0.405 4.961 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.286 -1.042 6.079 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.391 -2.742 4.305 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.727 -2.868 5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.016 -2.161 3.867 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.423 -0.620 3.714 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.979 0.150 3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.899 0.890 4.527 1.00 0.00 H new ATOM 331 N THR A 23 -5.062 -1.509 5.745 1.00 0.00 N ATOM 332 CA THR A 23 -6.065 -2.383 6.268 1.00 0.00 C ATOM 333 C THR A 23 -6.284 -3.519 5.328 1.00 0.00 C ATOM 334 O THR A 23 -6.226 -3.399 4.106 1.00 0.00 O ATOM 335 CB THR A 23 -7.335 -1.639 6.558 1.00 0.00 C ATOM 336 OG1 THR A 23 -8.347 -2.419 7.177 1.00 0.00 O ATOM 337 CG2 THR A 23 -7.947 -0.971 5.315 1.00 0.00 C ATOM 0 H THR A 23 -5.172 -1.321 4.748 1.00 0.00 H new ATOM 0 HA THR A 23 -5.720 -2.791 7.218 1.00 0.00 H new ATOM 0 HB THR A 23 -7.005 -0.876 7.264 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.139 -1.863 7.334 1.00 0.00 H new ATOM 0 HG21 THR A 23 -8.863 -0.451 5.595 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.237 -0.257 4.899 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.176 -1.732 4.569 1.00 0.00 H new ATOM 345 N GLY A 24 -6.507 -4.716 5.900 1.00 0.00 N ATOM 346 CA GLY A 24 -6.740 -5.944 5.205 1.00 0.00 C ATOM 347 C GLY A 24 -5.499 -6.635 4.753 1.00 0.00 C ATOM 348 O GLY A 24 -4.572 -6.858 5.530 1.00 0.00 O ATOM 0 H GLY A 24 -6.526 -4.833 6.913 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.300 -6.616 5.855 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.368 -5.744 4.337 1.00 0.00 H new ATOM 352 N GLY A 25 -5.453 -7.042 3.472 1.00 0.00 N ATOM 353 CA GLY A 25 -4.322 -7.694 2.888 1.00 0.00 C ATOM 354 C GLY A 25 -4.240 -9.156 3.164 1.00 0.00 C ATOM 355 O GLY A 25 -3.182 -9.775 3.065 1.00 0.00 O ATOM 0 H GLY A 25 -6.228 -6.913 2.821 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.348 -7.542 1.809 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.414 -7.216 3.255 1.00 0.00 H new ATOM 359 N VAL A 26 -5.379 -9.776 3.521 1.00 0.00 N ATOM 360 CA VAL A 26 -5.456 -11.171 3.828 1.00 0.00 C ATOM 361 C VAL A 26 -5.737 -11.900 2.559 1.00 0.00 C ATOM 362 O VAL A 26 -6.047 -11.303 1.530 1.00 0.00 O ATOM 363 CB VAL A 26 -6.477 -11.398 4.902 1.00 0.00 C ATOM 364 CG1 VAL A 26 -6.595 -12.855 5.379 1.00 0.00 C ATOM 365 CG2 VAL A 26 -6.107 -10.529 6.116 1.00 0.00 C ATOM 0 H VAL A 26 -6.274 -9.292 3.598 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.519 -11.555 4.230 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.440 -11.134 4.465 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.357 -12.923 6.156 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.875 -13.491 4.539 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.637 -13.185 5.781 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.839 -10.681 6.909 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.118 -10.811 6.477 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.101 -9.479 5.824 1.00 0.00 H new ATOM 375 N ASN A 27 -5.609 -13.239 2.562 1.00 0.00 N ATOM 376 CA ASN A 27 -5.512 -14.077 1.406 1.00 0.00 C ATOM 377 C ASN A 27 -6.770 -14.123 0.608 1.00 0.00 C ATOM 378 O ASN A 27 -6.736 -14.267 -0.613 1.00 0.00 O ATOM 379 CB ASN A 27 -5.018 -15.471 1.826 1.00 0.00 C ATOM 380 CG ASN A 27 -5.878 -16.085 2.920 1.00 0.00 C ATOM 381 OD1 ASN A 27 -6.973 -16.578 2.648 1.00 0.00 O ATOM 382 ND2 ASN A 27 -5.413 -16.034 4.197 1.00 0.00 N ATOM 0 H ASN A 27 -5.571 -13.772 3.431 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.779 -13.640 0.728 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.015 -16.129 0.957 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.988 -15.399 2.175 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -5.976 -16.410 4.960 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.502 -15.619 4.392 1.00 0.00 H new ATOM 389 N THR A 28 -7.926 -13.898 1.258 1.00 0.00 N ATOM 390 CA THR A 28 -9.077 -13.346 0.612 1.00 0.00 C ATOM 391 C THR A 28 -9.523 -12.218 1.477 1.00 0.00 C ATOM 392 O THR A 28 -9.633 -12.352 2.696 1.00 0.00 O ATOM 393 CB THR A 28 -10.170 -14.326 0.308 1.00 0.00 C ATOM 394 OG1 THR A 28 -11.222 -13.703 -0.414 1.00 0.00 O ATOM 395 CG2 THR A 28 -10.775 -14.979 1.562 1.00 0.00 C ATOM 0 H THR A 28 -8.064 -14.102 2.248 1.00 0.00 H new ATOM 0 HA THR A 28 -8.807 -13.006 -0.388 1.00 0.00 H new ATOM 0 HB THR A 28 -9.696 -15.106 -0.288 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.923 -14.361 -0.603 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.559 -15.676 1.267 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.997 -15.516 2.104 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.198 -14.208 2.205 1.00 0.00 H new ATOM 403 N SER A 29 -9.713 -11.021 0.895 1.00 0.00 N ATOM 404 CA SER A 29 -10.098 -9.857 1.632 1.00 0.00 C ATOM 405 C SER A 29 -10.793 -8.880 0.747 1.00 0.00 C ATOM 406 O SER A 29 -12.012 -8.924 0.588 1.00 0.00 O ATOM 407 CB SER A 29 -8.942 -9.206 2.410 1.00 0.00 C ATOM 408 OG SER A 29 -7.802 -8.907 1.616 1.00 0.00 O ATOM 0 H SER A 29 -9.597 -10.858 -0.105 1.00 0.00 H new ATOM 0 HA SER A 29 -10.800 -10.193 2.396 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.302 -8.286 2.871 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.643 -9.872 3.219 1.00 0.00 H new ATOM 0 HG SER A 29 -7.213 -9.690 1.581 1.00 0.00 H new ATOM 414 N VAL A 30 -10.058 -7.956 0.104 1.00 0.00 N ATOM 415 CA VAL A 30 -10.558 -7.080 -0.910 1.00 0.00 C ATOM 416 C VAL A 30 -10.666 -7.822 -2.198 1.00 0.00 C ATOM 417 O VAL A 30 -11.689 -7.787 -2.880 1.00 0.00 O ATOM 418 CB VAL A 30 -9.765 -5.811 -1.005 1.00 0.00 C ATOM 419 CG1 VAL A 30 -8.257 -6.052 -1.190 1.00 0.00 C ATOM 420 CG2 VAL A 30 -10.271 -4.889 -2.127 1.00 0.00 C ATOM 0 H VAL A 30 -9.067 -7.813 0.300 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.561 -6.751 -0.638 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.915 -5.318 -0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.740 -5.094 -1.252 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.872 -6.618 -0.342 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.088 -6.615 -2.108 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.665 -3.984 -2.155 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.196 -5.406 -3.084 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.311 -4.623 -1.938 1.00 0.00 H new ATOM 430 N ARG A 31 -9.606 -8.564 -2.565 1.00 0.00 N ATOM 431 CA ARG A 31 -9.572 -9.545 -3.605 1.00 0.00 C ATOM 432 C ARG A 31 -8.878 -10.728 -3.021 1.00 0.00 C ATOM 433 O ARG A 31 -8.874 -10.932 -1.809 1.00 0.00 O ATOM 434 CB ARG A 31 -8.813 -9.003 -4.827 1.00 0.00 C ATOM 435 CG ARG A 31 -9.431 -7.793 -5.533 1.00 0.00 C ATOM 436 CD ARG A 31 -10.614 -8.096 -6.454 1.00 0.00 C ATOM 437 NE ARG A 31 -11.816 -8.356 -5.613 1.00 0.00 N ATOM 438 CZ ARG A 31 -12.949 -8.973 -6.061 1.00 0.00 C ATOM 439 NH1 ARG A 31 -13.105 -9.358 -7.361 1.00 0.00 N ATOM 440 NH2 ARG A 31 -13.956 -9.232 -5.176 1.00 0.00 N ATOM 0 H ARG A 31 -8.704 -8.470 -2.098 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.572 -9.807 -3.951 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.805 -8.736 -4.511 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.716 -9.809 -5.554 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.757 -7.081 -4.775 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.654 -7.302 -6.119 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.796 -7.256 -7.125 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.395 -8.962 -7.079 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.791 -8.053 -4.639 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.360 -9.187 -8.036 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.967 -9.816 -7.657 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.855 -8.965 -4.197 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -14.809 -9.692 -5.494 1.00 0.00 H new ATOM 454 N HIS A 32 -8.224 -11.558 -3.853 1.00 0.00 N ATOM 455 CA HIS A 32 -7.243 -12.519 -3.455 1.00 0.00 C ATOM 456 C HIS A 32 -5.959 -11.821 -3.168 1.00 0.00 C ATOM 457 O HIS A 32 -5.135 -11.584 -4.050 1.00 0.00 O ATOM 458 CB HIS A 32 -7.032 -13.577 -4.551 1.00 0.00 C ATOM 459 CG HIS A 32 -7.133 -13.034 -5.946 1.00 0.00 C ATOM 460 ND1 HIS A 32 -8.379 -12.830 -6.502 1.00 0.00 N ATOM 461 CD2 HIS A 32 -6.154 -12.612 -6.791 1.00 0.00 C ATOM 462 CE1 HIS A 32 -8.140 -12.279 -7.677 1.00 0.00 C ATOM 463 NE2 HIS A 32 -6.808 -12.125 -7.904 1.00 0.00 N ATOM 0 H HIS A 32 -8.390 -11.558 -4.859 1.00 0.00 H new ATOM 0 HA HIS A 32 -7.595 -13.028 -2.558 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -6.051 -14.032 -4.419 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -7.770 -14.369 -4.425 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.087 -12.650 -6.625 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.910 -11.985 -8.375 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -6.375 -11.726 -8.737 1.00 0.00 H new ATOM 471 N GLY A 33 -5.769 -11.397 -1.905 1.00 0.00 N ATOM 472 CA GLY A 33 -4.795 -10.417 -1.539 1.00 0.00 C ATOM 473 C GLY A 33 -5.340 -9.048 -1.751 1.00 0.00 C ATOM 474 O GLY A 33 -6.551 -8.827 -1.749 1.00 0.00 O ATOM 0 H GLY A 33 -6.310 -11.747 -1.115 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.513 -10.546 -0.494 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.891 -10.553 -2.133 1.00 0.00 H new ATOM 478 N GLY A 34 -4.452 -8.062 -1.972 1.00 0.00 N ATOM 479 CA GLY A 34 -4.834 -6.714 -2.263 1.00 0.00 C ATOM 480 C GLY A 34 -4.829 -5.847 -1.052 1.00 0.00 C ATOM 481 O GLY A 34 -5.304 -6.203 0.026 1.00 0.00 O ATOM 0 H GLY A 34 -3.442 -8.205 -1.948 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.153 -6.299 -3.006 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.830 -6.709 -2.705 1.00 0.00 H new ATOM 485 N ILE A 35 -4.297 -4.620 -1.189 1.00 0.00 N ATOM 486 CA ILE A 35 -3.944 -3.817 -0.060 1.00 0.00 C ATOM 487 C ILE A 35 -4.648 -2.511 -0.199 1.00 0.00 C ATOM 488 O ILE A 35 -4.693 -1.913 -1.273 1.00 0.00 O ATOM 489 CB ILE A 35 -2.464 -3.601 0.057 1.00 0.00 C ATOM 490 CG1 ILE A 35 -1.615 -4.870 -0.123 1.00 0.00 C ATOM 491 CG2 ILE A 35 -2.166 -2.913 1.400 1.00 0.00 C ATOM 492 CD1 ILE A 35 -1.804 -5.955 0.935 1.00 0.00 C ATOM 0 H ILE A 35 -4.110 -4.181 -2.090 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.246 -4.336 0.850 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.169 -2.961 -0.774 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.840 -5.299 -1.099 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.564 -4.582 -0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.092 -2.751 1.496 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.683 -1.954 1.440 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.512 -3.546 2.218 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.156 -6.802 0.707 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.547 -5.555 1.916 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.843 -6.284 0.938 1.00 0.00 H new ATOM 504 N TYR A 36 -5.269 -2.049 0.901 1.00 0.00 N ATOM 505 CA TYR A 36 -6.157 -0.927 0.924 1.00 0.00 C ATOM 506 C TYR A 36 -5.672 0.033 1.956 1.00 0.00 C ATOM 507 O TYR A 36 -5.208 -0.360 3.025 1.00 0.00 O ATOM 508 CB TYR A 36 -7.567 -1.420 1.293 1.00 0.00 C ATOM 509 CG TYR A 36 -8.621 -0.845 0.411 1.00 0.00 C ATOM 510 CD1 TYR A 36 -8.832 -1.384 -0.836 1.00 0.00 C ATOM 511 CD2 TYR A 36 -9.424 0.184 0.845 1.00 0.00 C ATOM 512 CE1 TYR A 36 -9.847 -0.916 -1.637 1.00 0.00 C ATOM 513 CE2 TYR A 36 -10.437 0.658 0.045 1.00 0.00 C ATOM 514 CZ TYR A 36 -10.648 0.112 -1.199 1.00 0.00 C ATOM 515 OH TYR A 36 -11.679 0.590 -2.036 1.00 0.00 O ATOM 0 H TYR A 36 -5.146 -2.478 1.818 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.188 -0.438 -0.050 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.597 -2.508 1.228 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.781 -1.157 2.329 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.195 -2.182 -1.189 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.258 0.622 1.818 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.015 -1.355 -2.609 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.069 1.461 0.395 1.00 0.00 H new ATOM 0 HH TYR A 36 -12.157 1.317 -1.584 1.00 0.00 H new ATOM 525 N VAL A 37 -5.759 1.347 1.682 1.00 0.00 N ATOM 526 CA VAL A 37 -5.350 2.369 2.596 1.00 0.00 C ATOM 527 C VAL A 37 -6.396 2.608 3.629 1.00 0.00 C ATOM 528 O VAL A 37 -7.574 2.797 3.329 1.00 0.00 O ATOM 529 CB VAL A 37 -5.026 3.650 1.887 1.00 0.00 C ATOM 530 CG1 VAL A 37 -4.588 4.753 2.866 1.00 0.00 C ATOM 531 CG2 VAL A 37 -3.896 3.402 0.873 1.00 0.00 C ATOM 0 H VAL A 37 -6.124 1.709 0.801 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.443 2.016 3.087 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.931 3.986 1.380 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.363 5.664 2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.392 4.950 3.576 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.699 4.428 3.406 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.660 4.333 0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.010 3.042 1.396 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.217 2.655 0.146 1.00 0.00 H new ATOM 541 N LYS A 38 -6.016 2.627 4.920 1.00 0.00 N ATOM 542 CA LYS A 38 -6.901 2.866 6.016 1.00 0.00 C ATOM 543 C LYS A 38 -7.037 4.327 6.277 1.00 0.00 C ATOM 544 O LYS A 38 -8.137 4.877 6.258 1.00 0.00 O ATOM 545 CB LYS A 38 -6.393 2.146 7.277 1.00 0.00 C ATOM 546 CG LYS A 38 -7.312 2.224 8.497 1.00 0.00 C ATOM 547 CD LYS A 38 -6.740 1.451 9.688 1.00 0.00 C ATOM 548 CE LYS A 38 -7.358 1.799 11.045 1.00 0.00 C ATOM 549 NZ LYS A 38 -8.715 1.235 11.222 1.00 0.00 N ATOM 0 H LYS A 38 -5.051 2.469 5.211 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.883 2.471 5.755 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.230 1.096 7.034 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.424 2.565 7.547 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.458 3.267 8.777 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.292 1.823 8.240 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.875 0.384 9.508 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.666 1.633 9.738 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.710 1.429 11.839 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.404 2.883 11.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.083 1.503 12.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.345 1.607 10.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.672 0.198 11.151 1.00 0.00 H new ATOM 563 N ALA A 39 -5.900 4.999 6.534 1.00 0.00 N ATOM 564 CA ALA A 39 -5.825 6.397 6.825 1.00 0.00 C ATOM 565 C ALA A 39 -4.452 6.894 6.529 1.00 0.00 C ATOM 566 O ALA A 39 -3.491 6.126 6.547 1.00 0.00 O ATOM 567 CB ALA A 39 -6.155 6.664 8.304 1.00 0.00 C ATOM 0 H ALA A 39 -4.987 4.544 6.539 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.552 6.920 6.204 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.092 7.734 8.503 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.164 6.313 8.521 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.443 6.134 8.937 1.00 0.00 H new ATOM 573 N VAL A 40 -4.294 8.200 6.252 1.00 0.00 N ATOM 574 CA VAL A 40 -3.031 8.838 6.047 1.00 0.00 C ATOM 575 C VAL A 40 -2.540 9.453 7.313 1.00 0.00 C ATOM 576 O VAL A 40 -3.259 10.138 8.037 1.00 0.00 O ATOM 577 CB VAL A 40 -3.028 9.788 4.887 1.00 0.00 C ATOM 578 CG1 VAL A 40 -4.048 10.930 5.026 1.00 0.00 C ATOM 579 CG2 VAL A 40 -1.623 10.367 4.647 1.00 0.00 C ATOM 0 H VAL A 40 -5.083 8.841 6.167 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.318 8.063 5.764 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.330 9.196 4.023 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.990 11.578 4.151 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.052 10.513 5.103 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.826 11.509 5.922 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.652 11.052 3.800 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.294 10.904 5.537 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.927 9.556 4.434 1.00 0.00 H new ATOM 589 N ILE A 41 -1.269 9.188 7.666 1.00 0.00 N ATOM 590 CA ILE A 41 -0.662 9.618 8.887 1.00 0.00 C ATOM 591 C ILE A 41 -0.173 11.019 8.759 1.00 0.00 C ATOM 592 O ILE A 41 0.628 11.256 7.857 1.00 0.00 O ATOM 593 CB ILE A 41 0.447 8.686 9.275 1.00 0.00 C ATOM 594 CG1 ILE A 41 -0.033 7.231 9.411 1.00 0.00 C ATOM 595 CG2 ILE A 41 1.124 9.150 10.576 1.00 0.00 C ATOM 596 CD1 ILE A 41 -1.145 6.998 10.432 1.00 0.00 C ATOM 0 H ILE A 41 -0.637 8.650 7.073 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.410 9.597 9.679 1.00 0.00 H new ATOM 0 HB ILE A 41 1.178 8.713 8.467 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.381 6.889 8.436 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.820 6.609 9.681 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.925 8.458 10.836 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.539 10.148 10.434 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.389 9.173 11.380 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.408 5.940 10.448 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.801 7.301 11.421 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.021 7.586 10.157 1.00 0.00 H new ATOM 608 N PRO A 42 -0.541 11.990 9.543 1.00 0.00 N ATOM 609 CA PRO A 42 -0.181 13.359 9.314 1.00 0.00 C ATOM 610 C PRO A 42 1.173 13.724 9.820 1.00 0.00 C ATOM 611 O PRO A 42 1.352 14.813 10.363 1.00 0.00 O ATOM 612 CB PRO A 42 -1.275 14.135 10.045 1.00 0.00 C ATOM 613 CG PRO A 42 -1.595 13.254 11.262 1.00 0.00 C ATOM 614 CD PRO A 42 -1.470 11.848 10.653 1.00 0.00 C ATOM 0 HA PRO A 42 -0.117 13.579 8.248 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -0.931 15.124 10.346 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.152 14.281 9.414 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.893 13.412 12.081 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.593 13.444 11.657 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.099 11.133 11.387 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.438 11.480 10.311 1.00 0.00 H new ATOM 622 N GLN A 43 2.181 12.852 9.648 1.00 0.00 N ATOM 623 CA GLN A 43 3.541 13.111 10.004 1.00 0.00 C ATOM 624 C GLN A 43 4.405 12.442 8.990 1.00 0.00 C ATOM 625 O GLN A 43 5.278 11.638 9.311 1.00 0.00 O ATOM 626 CB GLN A 43 3.886 12.588 11.409 1.00 0.00 C ATOM 627 CG GLN A 43 3.277 13.413 12.544 1.00 0.00 C ATOM 628 CD GLN A 43 3.735 12.940 13.915 1.00 0.00 C ATOM 629 OE1 GLN A 43 4.625 12.104 14.069 1.00 0.00 O ATOM 630 NE2 GLN A 43 3.087 13.488 14.977 1.00 0.00 N ATOM 0 H GLN A 43 2.042 11.926 9.243 1.00 0.00 H new ATOM 0 HA GLN A 43 3.705 14.188 10.022 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.542 11.557 11.497 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.970 12.573 11.525 1.00 0.00 H new ATOM 0 HG2 GLN A 43 3.549 14.461 12.415 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.190 13.357 12.488 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.353 14.179 14.825 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.335 13.208 15.926 1.00 0.00 H new ATOM 639 N GLY A 44 4.184 12.726 7.694 1.00 0.00 N ATOM 640 CA GLY A 44 4.908 12.050 6.662 1.00 0.00 C ATOM 641 C GLY A 44 4.661 12.592 5.298 1.00 0.00 C ATOM 642 O GLY A 44 3.801 13.440 5.063 1.00 0.00 O ATOM 0 H GLY A 44 3.511 13.417 7.362 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.974 12.112 6.879 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.641 10.993 6.676 1.00 0.00 H new ATOM 646 N ALA A 45 5.419 12.055 4.324 1.00 0.00 N ATOM 647 CA ALA A 45 5.418 12.427 2.944 1.00 0.00 C ATOM 648 C ALA A 45 4.096 12.286 2.269 1.00 0.00 C ATOM 649 O ALA A 45 3.720 13.120 1.446 1.00 0.00 O ATOM 650 CB ALA A 45 6.478 11.591 2.207 1.00 0.00 C ATOM 0 H ALA A 45 6.082 11.304 4.518 1.00 0.00 H new ATOM 0 HA ALA A 45 5.651 13.491 2.904 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.488 11.865 1.152 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.459 11.783 2.641 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.239 10.532 2.305 1.00 0.00 H new ATOM 656 N ALA A 46 3.308 11.256 2.622 1.00 0.00 N ATOM 657 CA ALA A 46 1.977 11.038 2.145 1.00 0.00 C ATOM 658 C ALA A 46 1.056 12.194 2.323 1.00 0.00 C ATOM 659 O ALA A 46 0.473 12.686 1.357 1.00 0.00 O ATOM 660 CB ALA A 46 1.401 9.794 2.844 1.00 0.00 C ATOM 0 H ALA A 46 3.616 10.536 3.276 1.00 0.00 H new ATOM 0 HA ALA A 46 2.051 10.895 1.067 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.386 9.615 2.490 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.023 8.928 2.616 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.386 9.956 3.922 1.00 0.00 H new ATOM 666 N GLU A 47 0.934 12.714 3.557 1.00 0.00 N ATOM 667 CA GLU A 47 0.156 13.865 3.895 1.00 0.00 C ATOM 668 C GLU A 47 0.737 15.122 3.347 1.00 0.00 C ATOM 669 O GLU A 47 0.041 15.909 2.709 1.00 0.00 O ATOM 670 CB GLU A 47 0.015 13.966 5.424 1.00 0.00 C ATOM 671 CG GLU A 47 -0.790 15.149 5.966 1.00 0.00 C ATOM 672 CD GLU A 47 -2.301 15.015 5.839 1.00 0.00 C ATOM 673 OE1 GLU A 47 -2.930 14.328 6.687 1.00 0.00 O ATOM 674 OE2 GLU A 47 -2.897 15.694 4.960 1.00 0.00 O ATOM 0 H GLU A 47 1.406 12.307 4.365 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.827 13.743 3.441 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.448 13.047 5.784 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.015 14.010 5.855 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.540 15.287 7.018 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.476 16.052 5.443 1.00 0.00 H new ATOM 681 N SER A 48 2.042 15.373 3.557 1.00 0.00 N ATOM 682 CA SER A 48 2.716 16.574 3.172 1.00 0.00 C ATOM 683 C SER A 48 2.720 16.855 1.709 1.00 0.00 C ATOM 684 O SER A 48 2.574 17.999 1.280 1.00 0.00 O ATOM 685 CB SER A 48 4.186 16.588 3.623 1.00 0.00 C ATOM 686 OG SER A 48 4.295 16.467 5.033 1.00 0.00 O ATOM 0 H SER A 48 2.658 14.704 4.019 1.00 0.00 H new ATOM 0 HA SER A 48 2.131 17.344 3.675 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.723 15.770 3.143 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.659 17.514 3.298 1.00 0.00 H new ATOM 0 HG SER A 48 4.163 15.531 5.292 1.00 0.00 H new ATOM 692 N ASP A 49 2.899 15.821 0.868 1.00 0.00 N ATOM 693 CA ASP A 49 2.859 15.921 -0.558 1.00 0.00 C ATOM 694 C ASP A 49 1.456 15.896 -1.062 1.00 0.00 C ATOM 695 O ASP A 49 1.063 16.739 -1.866 1.00 0.00 O ATOM 696 CB ASP A 49 3.765 14.808 -1.111 1.00 0.00 C ATOM 697 CG ASP A 49 3.950 14.893 -2.620 1.00 0.00 C ATOM 698 OD1 ASP A 49 4.666 15.819 -3.085 1.00 0.00 O ATOM 699 OD2 ASP A 49 3.371 14.033 -3.334 1.00 0.00 O ATOM 0 H ASP A 49 3.080 14.873 1.197 1.00 0.00 H new ATOM 0 HA ASP A 49 3.242 16.878 -0.912 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.740 14.865 -0.626 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.338 13.838 -0.856 1.00 0.00 H new ATOM 704 N GLY A 50 0.626 14.946 -0.597 1.00 0.00 N ATOM 705 CA GLY A 50 -0.789 14.955 -0.802 1.00 0.00 C ATOM 706 C GLY A 50 -1.288 14.458 -2.115 1.00 0.00 C ATOM 707 O GLY A 50 -1.962 15.181 -2.847 1.00 0.00 O ATOM 0 H GLY A 50 0.952 14.143 -0.059 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.248 14.355 -0.016 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.143 15.977 -0.671 1.00 0.00 H new ATOM 711 N ARG A 51 -1.056 13.175 -2.449 1.00 0.00 N ATOM 712 CA ARG A 51 -1.372 12.638 -3.736 1.00 0.00 C ATOM 713 C ARG A 51 -2.034 11.307 -3.634 1.00 0.00 C ATOM 714 O ARG A 51 -2.466 10.736 -4.634 1.00 0.00 O ATOM 715 CB ARG A 51 -0.055 12.545 -4.525 1.00 0.00 C ATOM 716 CG ARG A 51 -0.101 12.216 -6.019 1.00 0.00 C ATOM 717 CD ARG A 51 1.282 12.431 -6.636 1.00 0.00 C ATOM 718 NE ARG A 51 1.366 11.850 -8.007 1.00 0.00 N ATOM 719 CZ ARG A 51 2.560 11.728 -8.656 1.00 0.00 C ATOM 720 NH1 ARG A 51 3.738 12.149 -8.111 1.00 0.00 N ATOM 721 NH2 ARG A 51 2.622 11.111 -9.873 1.00 0.00 N ATOM 0 H ARG A 51 -0.640 12.497 -1.811 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.083 13.287 -4.247 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.461 13.499 -4.415 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.564 11.789 -4.042 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.418 11.183 -6.164 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.835 12.848 -6.518 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.501 13.498 -6.678 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.040 11.975 -5.999 1.00 0.00 H new ATOM 0 HE ARG A 51 0.512 11.537 -8.469 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.748 12.574 -7.184 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.609 12.039 -8.631 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.774 10.739 -10.300 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.517 11.022 -10.355 1.00 0.00 H new ATOM 735 N ILE A 52 -2.224 10.787 -2.408 1.00 0.00 N ATOM 736 CA ILE A 52 -2.924 9.574 -2.119 1.00 0.00 C ATOM 737 C ILE A 52 -3.907 9.928 -1.057 1.00 0.00 C ATOM 738 O ILE A 52 -3.658 10.833 -0.262 1.00 0.00 O ATOM 739 CB ILE A 52 -2.021 8.472 -1.646 1.00 0.00 C ATOM 740 CG1 ILE A 52 -0.854 8.273 -2.627 1.00 0.00 C ATOM 741 CG2 ILE A 52 -2.809 7.166 -1.454 1.00 0.00 C ATOM 742 CD1 ILE A 52 0.107 7.148 -2.242 1.00 0.00 C ATOM 0 H ILE A 52 -1.867 11.242 -1.568 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.396 9.189 -3.023 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.607 8.758 -0.679 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.259 8.066 -3.618 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.293 9.205 -2.700 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.135 6.381 -1.111 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.593 7.320 -0.713 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.258 6.870 -2.402 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.900 7.076 -2.987 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.544 7.361 -1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.437 6.204 -2.198 1.00 0.00 H new ATOM 754 N HIS A 53 -5.076 9.266 -0.987 1.00 0.00 N ATOM 755 CA HIS A 53 -5.973 9.455 0.109 1.00 0.00 C ATOM 756 C HIS A 53 -6.344 8.158 0.742 1.00 0.00 C ATOM 757 O HIS A 53 -5.994 7.070 0.287 1.00 0.00 O ATOM 758 CB HIS A 53 -7.193 10.318 -0.259 1.00 0.00 C ATOM 759 CG HIS A 53 -8.197 9.761 -1.223 1.00 0.00 C ATOM 760 ND1 HIS A 53 -9.005 10.653 -1.899 1.00 0.00 N ATOM 761 CD2 HIS A 53 -8.575 8.486 -1.510 1.00 0.00 C ATOM 762 CE1 HIS A 53 -9.855 9.913 -2.586 1.00 0.00 C ATOM 763 NE2 HIS A 53 -9.632 8.587 -2.391 1.00 0.00 N ATOM 0 H HIS A 53 -5.399 8.600 -1.689 1.00 0.00 H new ATOM 0 HA HIS A 53 -5.436 10.029 0.864 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -7.719 10.560 0.665 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.823 11.257 -0.671 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.136 7.577 -1.125 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -10.631 10.312 -3.223 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -10.147 7.815 -2.814 1.00 0.00 H new ATOM 771 N LYS A 54 -7.080 8.229 1.865 1.00 0.00 N ATOM 772 CA LYS A 54 -7.677 7.110 2.525 1.00 0.00 C ATOM 773 C LYS A 54 -8.617 6.328 1.673 1.00 0.00 C ATOM 774 O LYS A 54 -9.433 6.866 0.927 1.00 0.00 O ATOM 775 CB LYS A 54 -8.355 7.599 3.816 1.00 0.00 C ATOM 776 CG LYS A 54 -9.473 8.610 3.552 1.00 0.00 C ATOM 777 CD LYS A 54 -9.759 9.546 4.728 1.00 0.00 C ATOM 778 CE LYS A 54 -10.771 10.647 4.408 1.00 0.00 C ATOM 779 NZ LYS A 54 -10.316 11.475 3.267 1.00 0.00 N ATOM 0 H LYS A 54 -7.268 9.113 2.337 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.878 6.407 2.762 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.764 6.743 4.353 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.606 8.053 4.465 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.208 9.209 2.681 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.386 8.069 3.302 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.130 8.957 5.567 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.825 10.006 5.050 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.737 10.200 4.174 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.915 11.278 5.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.863 12.359 3.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.306 11.696 3.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.459 10.952 2.380 1.00 0.00 H new ATOM 793 N GLY A 55 -8.530 4.986 1.722 1.00 0.00 N ATOM 794 CA GLY A 55 -9.324 4.116 0.911 1.00 0.00 C ATOM 795 C GLY A 55 -8.936 3.962 -0.519 1.00 0.00 C ATOM 796 O GLY A 55 -9.757 3.480 -1.297 1.00 0.00 O ATOM 0 H GLY A 55 -7.889 4.492 2.343 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.315 3.127 1.370 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.353 4.473 0.943 1.00 0.00 H new ATOM 800 N ASP A 56 -7.701 4.305 -0.929 1.00 0.00 N ATOM 801 CA ASP A 56 -7.171 3.940 -2.205 1.00 0.00 C ATOM 802 C ASP A 56 -6.617 2.557 -2.192 1.00 0.00 C ATOM 803 O ASP A 56 -6.373 1.969 -1.140 1.00 0.00 O ATOM 804 CB ASP A 56 -6.129 4.962 -2.689 1.00 0.00 C ATOM 805 CG ASP A 56 -6.780 6.285 -3.067 1.00 0.00 C ATOM 806 OD1 ASP A 56 -7.957 6.259 -3.518 1.00 0.00 O ATOM 807 OD2 ASP A 56 -6.107 7.346 -2.969 1.00 0.00 O ATOM 0 H ASP A 56 -7.055 4.850 -0.358 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.995 3.950 -2.918 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.390 5.129 -1.905 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.595 4.559 -3.549 1.00 0.00 H new ATOM 812 N ARG A 57 -6.419 1.954 -3.378 1.00 0.00 N ATOM 813 CA ARG A 57 -6.044 0.584 -3.537 1.00 0.00 C ATOM 814 C ARG A 57 -4.823 0.475 -4.385 1.00 0.00 C ATOM 815 O ARG A 57 -4.803 0.941 -5.523 1.00 0.00 O ATOM 816 CB ARG A 57 -7.191 -0.185 -4.214 1.00 0.00 C ATOM 817 CG ARG A 57 -7.012 -1.700 -4.326 1.00 0.00 C ATOM 818 CD ARG A 57 -6.539 -2.221 -5.686 1.00 0.00 C ATOM 819 NE ARG A 57 -7.616 -1.916 -6.668 1.00 0.00 N ATOM 820 CZ ARG A 57 -8.314 -2.840 -7.394 1.00 0.00 C ATOM 821 NH1 ARG A 57 -8.047 -4.179 -7.405 1.00 0.00 N ATOM 822 NH2 ARG A 57 -9.367 -2.424 -8.155 1.00 0.00 N ATOM 0 H ARG A 57 -6.525 2.444 -4.266 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.837 0.162 -2.554 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.109 0.012 -3.661 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.330 0.219 -5.217 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.296 -2.018 -3.568 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.963 -2.177 -4.087 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.604 -1.743 -5.978 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.349 -3.293 -5.643 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.853 -0.934 -6.811 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.280 -4.551 -6.844 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.614 -4.807 -7.974 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.622 -1.437 -8.176 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.899 -3.100 -8.703 1.00 0.00 H new ATOM 836 N VAL A 58 -3.741 -0.156 -3.895 1.00 0.00 N ATOM 837 CA VAL A 58 -2.516 -0.260 -4.625 1.00 0.00 C ATOM 838 C VAL A 58 -2.485 -1.419 -5.562 1.00 0.00 C ATOM 839 O VAL A 58 -3.197 -2.408 -5.393 1.00 0.00 O ATOM 840 CB VAL A 58 -1.298 -0.262 -3.751 1.00 0.00 C ATOM 841 CG1 VAL A 58 -1.248 1.041 -2.934 1.00 0.00 C ATOM 842 CG2 VAL A 58 -1.298 -1.475 -2.807 1.00 0.00 C ATOM 0 H VAL A 58 -3.716 -0.601 -2.978 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.486 0.650 -5.224 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.415 -0.329 -4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.362 1.038 -2.299 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.206 1.894 -3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.140 1.115 -2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.404 -1.452 -2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.183 -1.442 -2.172 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.307 -2.393 -3.394 1.00 0.00 H new ATOM 852 N LEU A 59 -1.661 -1.328 -6.622 1.00 0.00 N ATOM 853 CA LEU A 59 -1.566 -2.301 -7.665 1.00 0.00 C ATOM 854 C LEU A 59 -0.177 -2.825 -7.789 1.00 0.00 C ATOM 855 O LEU A 59 0.146 -3.876 -7.235 1.00 0.00 O ATOM 856 CB LEU A 59 -2.037 -1.721 -9.009 1.00 0.00 C ATOM 857 CG LEU A 59 -3.524 -1.329 -9.060 1.00 0.00 C ATOM 858 CD1 LEU A 59 -3.833 -0.622 -10.391 1.00 0.00 C ATOM 859 CD2 LEU A 59 -4.455 -2.539 -8.878 1.00 0.00 C ATOM 0 H LEU A 59 -1.031 -0.537 -6.757 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.222 -3.129 -7.398 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.436 -0.841 -9.239 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.842 -2.453 -9.792 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.711 -0.650 -8.228 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.887 -0.347 -10.421 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.221 0.276 -10.477 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.610 -1.293 -11.220 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.493 -2.209 -8.922 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.270 -3.263 -9.672 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.263 -3.004 -7.911 1.00 0.00 H new ATOM 871 N ALA A 60 0.704 -2.157 -8.553 1.00 0.00 N ATOM 872 CA ALA A 60 2.020 -2.629 -8.850 1.00 0.00 C ATOM 873 C ALA A 60 3.115 -2.021 -8.042 1.00 0.00 C ATOM 874 O ALA A 60 3.105 -0.829 -7.740 1.00 0.00 O ATOM 875 CB ALA A 60 2.337 -2.437 -10.343 1.00 0.00 C ATOM 0 H ALA A 60 0.492 -1.255 -8.980 1.00 0.00 H new ATOM 0 HA ALA A 60 1.996 -3.685 -8.580 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.343 -2.802 -10.551 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.617 -2.995 -10.942 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.276 -1.378 -10.595 1.00 0.00 H new ATOM 881 N VAL A 61 4.150 -2.815 -7.717 1.00 0.00 N ATOM 882 CA VAL A 61 5.369 -2.355 -7.126 1.00 0.00 C ATOM 883 C VAL A 61 6.366 -2.143 -8.213 1.00 0.00 C ATOM 884 O VAL A 61 6.988 -3.090 -8.691 1.00 0.00 O ATOM 885 CB VAL A 61 5.912 -3.300 -6.095 1.00 0.00 C ATOM 886 CG1 VAL A 61 7.204 -2.766 -5.454 1.00 0.00 C ATOM 887 CG2 VAL A 61 4.871 -3.519 -4.984 1.00 0.00 C ATOM 0 H VAL A 61 4.137 -3.823 -7.873 1.00 0.00 H new ATOM 0 HA VAL A 61 5.163 -1.422 -6.601 1.00 0.00 H new ATOM 0 HB VAL A 61 6.135 -4.238 -6.603 1.00 0.00 H new ATOM 0 HG11 VAL A 61 7.565 -3.480 -4.713 1.00 0.00 H new ATOM 0 HG12 VAL A 61 7.963 -2.628 -6.225 1.00 0.00 H new ATOM 0 HG13 VAL A 61 7.002 -1.811 -4.969 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.273 -4.206 -4.239 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.639 -2.565 -4.510 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.963 -3.941 -5.414 1.00 0.00 H new ATOM 897 N ASN A 62 6.509 -0.898 -8.701 1.00 0.00 N ATOM 898 CA ASN A 62 7.451 -0.492 -9.697 1.00 0.00 C ATOM 899 C ASN A 62 7.327 -1.253 -10.972 1.00 0.00 C ATOM 900 O ASN A 62 8.290 -1.764 -11.543 1.00 0.00 O ATOM 901 CB ASN A 62 8.855 -0.344 -9.087 1.00 0.00 C ATOM 902 CG ASN A 62 9.955 0.139 -10.023 1.00 0.00 C ATOM 903 OD1 ASN A 62 11.041 -0.437 -10.056 1.00 0.00 O ATOM 904 ND2 ASN A 62 9.705 1.219 -10.810 1.00 0.00 N ATOM 0 H ASN A 62 5.928 -0.125 -8.378 1.00 0.00 H new ATOM 0 HA ASN A 62 7.205 0.513 -10.039 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.791 0.350 -8.249 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.153 -1.310 -8.679 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.425 1.566 -11.443 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.797 1.682 -10.767 1.00 0.00 H new ATOM 911 N GLY A 63 6.086 -1.387 -11.471 1.00 0.00 N ATOM 912 CA GLY A 63 5.781 -2.066 -12.693 1.00 0.00 C ATOM 913 C GLY A 63 5.213 -3.431 -12.510 1.00 0.00 C ATOM 914 O GLY A 63 4.381 -3.864 -13.305 1.00 0.00 O ATOM 0 H GLY A 63 5.262 -1.008 -11.005 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.073 -1.464 -13.263 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.690 -2.140 -13.290 1.00 0.00 H new ATOM 918 N VAL A 64 5.645 -4.169 -11.472 1.00 0.00 N ATOM 919 CA VAL A 64 5.316 -5.549 -11.288 1.00 0.00 C ATOM 920 C VAL A 64 4.230 -5.739 -10.286 1.00 0.00 C ATOM 921 O VAL A 64 4.407 -5.547 -9.084 1.00 0.00 O ATOM 922 CB VAL A 64 6.514 -6.366 -10.901 1.00 0.00 C ATOM 923 CG1 VAL A 64 6.186 -7.866 -10.995 1.00 0.00 C ATOM 924 CG2 VAL A 64 7.696 -6.029 -11.826 1.00 0.00 C ATOM 0 H VAL A 64 6.243 -3.793 -10.736 1.00 0.00 H new ATOM 0 HA VAL A 64 4.955 -5.902 -12.254 1.00 0.00 H new ATOM 0 HB VAL A 64 6.786 -6.129 -9.872 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.063 -8.449 -10.712 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.361 -8.101 -10.322 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.901 -8.113 -12.018 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.563 -6.625 -11.540 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.426 -6.253 -12.858 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.938 -4.970 -11.736 1.00 0.00 H new ATOM 934 N SER A 65 3.029 -6.130 -10.749 1.00 0.00 N ATOM 935 CA SER A 65 1.890 -6.451 -9.946 1.00 0.00 C ATOM 936 C SER A 65 1.970 -7.823 -9.370 1.00 0.00 C ATOM 937 O SER A 65 1.854 -8.809 -10.096 1.00 0.00 O ATOM 938 CB SER A 65 0.576 -6.384 -10.741 1.00 0.00 C ATOM 939 OG SER A 65 0.470 -5.159 -11.453 1.00 0.00 O ATOM 0 H SER A 65 2.843 -6.228 -11.747 1.00 0.00 H new ATOM 0 HA SER A 65 1.895 -5.703 -9.153 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.527 -7.219 -11.439 1.00 0.00 H new ATOM 0 HB3 SER A 65 -0.270 -6.487 -10.061 1.00 0.00 H new ATOM 0 HG SER A 65 -0.374 -5.142 -11.952 1.00 0.00 H new ATOM 945 N LEU A 66 2.159 -7.990 -8.048 1.00 0.00 N ATOM 946 CA LEU A 66 2.245 -9.287 -7.454 1.00 0.00 C ATOM 947 C LEU A 66 0.911 -9.721 -6.949 1.00 0.00 C ATOM 948 O LEU A 66 0.546 -9.552 -5.787 1.00 0.00 O ATOM 949 CB LEU A 66 3.325 -9.323 -6.359 1.00 0.00 C ATOM 950 CG LEU A 66 4.060 -10.664 -6.187 1.00 0.00 C ATOM 951 CD1 LEU A 66 3.123 -11.852 -5.912 1.00 0.00 C ATOM 952 CD2 LEU A 66 4.979 -10.976 -7.379 1.00 0.00 C ATOM 0 H LEU A 66 2.253 -7.219 -7.387 1.00 0.00 H new ATOM 0 HA LEU A 66 2.550 -10.001 -8.219 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.063 -8.551 -6.578 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.861 -9.060 -5.408 1.00 0.00 H new ATOM 0 HG LEU A 66 4.675 -10.533 -5.296 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.712 -12.762 -5.802 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.563 -11.669 -4.995 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.428 -11.968 -6.744 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.477 -11.931 -7.214 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.386 -11.029 -8.292 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.727 -10.189 -7.477 1.00 0.00 H new ATOM 964 N GLU A 67 0.089 -10.316 -7.830 1.00 0.00 N ATOM 965 CA GLU A 67 -1.166 -10.889 -7.452 1.00 0.00 C ATOM 966 C GLU A 67 -1.036 -12.099 -6.594 1.00 0.00 C ATOM 967 O GLU A 67 -0.206 -12.979 -6.816 1.00 0.00 O ATOM 968 CB GLU A 67 -2.122 -11.120 -8.634 1.00 0.00 C ATOM 969 CG GLU A 67 -1.620 -12.082 -9.713 1.00 0.00 C ATOM 970 CD GLU A 67 -2.708 -12.350 -10.742 1.00 0.00 C ATOM 971 OE1 GLU A 67 -3.175 -11.395 -11.419 1.00 0.00 O ATOM 972 OE2 GLU A 67 -3.116 -13.533 -10.888 1.00 0.00 O ATOM 0 H GLU A 67 0.299 -10.401 -8.824 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.632 -10.124 -6.831 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.067 -11.500 -8.245 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.333 -10.158 -9.100 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.744 -11.660 -10.205 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.307 -13.020 -9.254 1.00 0.00 H new ATOM 979 N GLY A 68 -1.849 -12.163 -5.525 1.00 0.00 N ATOM 980 CA GLY A 68 -1.884 -13.247 -4.593 1.00 0.00 C ATOM 981 C GLY A 68 -1.000 -13.067 -3.407 1.00 0.00 C ATOM 982 O GLY A 68 -0.830 -13.986 -2.606 1.00 0.00 O ATOM 0 H GLY A 68 -2.514 -11.423 -5.300 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.910 -13.382 -4.249 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.597 -14.163 -5.109 1.00 0.00 H new ATOM 986 N ALA A 69 -0.384 -11.884 -3.239 1.00 0.00 N ATOM 987 CA ALA A 69 0.411 -11.546 -2.099 1.00 0.00 C ATOM 988 C ALA A 69 -0.407 -11.236 -0.893 1.00 0.00 C ATOM 989 O ALA A 69 -1.329 -10.423 -0.937 1.00 0.00 O ATOM 990 CB ALA A 69 1.314 -10.346 -2.428 1.00 0.00 C ATOM 0 H ALA A 69 -0.442 -11.132 -3.925 1.00 0.00 H new ATOM 0 HA ALA A 69 1.014 -12.423 -1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.917 -10.094 -1.555 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.970 -10.602 -3.260 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.697 -9.490 -2.702 1.00 0.00 H new ATOM 996 N THR A 70 -0.082 -11.839 0.264 1.00 0.00 N ATOM 997 CA THR A 70 -0.620 -11.447 1.531 1.00 0.00 C ATOM 998 C THR A 70 0.110 -10.258 2.056 1.00 0.00 C ATOM 999 O THR A 70 1.128 -9.809 1.532 1.00 0.00 O ATOM 1000 CB THR A 70 -0.569 -12.534 2.563 1.00 0.00 C ATOM 1001 OG1 THR A 70 0.723 -13.113 2.666 1.00 0.00 O ATOM 1002 CG2 THR A 70 -1.557 -13.644 2.167 1.00 0.00 C ATOM 0 H THR A 70 0.572 -12.620 0.321 1.00 0.00 H new ATOM 0 HA THR A 70 -1.669 -11.213 1.350 1.00 0.00 H new ATOM 0 HB THR A 70 -0.826 -12.088 3.524 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.713 -13.815 3.350 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.528 -14.440 2.911 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.565 -13.232 2.115 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.280 -14.048 1.193 1.00 0.00 H new ATOM 1010 N HIS A 71 -0.412 -9.685 3.155 1.00 0.00 N ATOM 1011 CA HIS A 71 0.084 -8.526 3.831 1.00 0.00 C ATOM 1012 C HIS A 71 1.505 -8.637 4.266 1.00 0.00 C ATOM 1013 O HIS A 71 2.287 -7.712 4.048 1.00 0.00 O ATOM 1014 CB HIS A 71 -0.858 -8.231 5.011 1.00 0.00 C ATOM 1015 CG HIS A 71 -0.811 -6.852 5.598 1.00 0.00 C ATOM 1016 ND1 HIS A 71 -0.338 -5.715 4.975 1.00 0.00 N ATOM 1017 CD2 HIS A 71 -1.359 -6.431 6.769 1.00 0.00 C ATOM 1018 CE1 HIS A 71 -0.603 -4.672 5.807 1.00 0.00 C ATOM 1019 NE2 HIS A 71 -1.224 -5.064 6.904 1.00 0.00 N ATOM 0 H HIS A 71 -1.246 -10.062 3.605 1.00 0.00 H new ATOM 0 HA HIS A 71 0.091 -7.694 3.127 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.880 -8.424 4.684 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.638 -8.944 5.806 1.00 0.00 H new ATOM 0 HD1 HIS A 71 0.122 -5.666 4.066 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.834 -7.077 7.493 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.337 -3.647 5.596 1.00 0.00 H new ATOM 1027 N LYS A 72 1.931 -9.795 4.800 1.00 0.00 N ATOM 1028 CA LYS A 72 3.290 -10.118 5.107 1.00 0.00 C ATOM 1029 C LYS A 72 4.249 -9.925 3.983 1.00 0.00 C ATOM 1030 O LYS A 72 5.307 -9.318 4.143 1.00 0.00 O ATOM 1031 CB LYS A 72 3.353 -11.574 5.600 1.00 0.00 C ATOM 1032 CG LYS A 72 4.741 -12.190 5.789 1.00 0.00 C ATOM 1033 CD LYS A 72 5.610 -11.528 6.859 1.00 0.00 C ATOM 1034 CE LYS A 72 7.073 -11.960 6.751 1.00 0.00 C ATOM 1035 NZ LYS A 72 7.884 -11.419 7.866 1.00 0.00 N ATOM 0 H LYS A 72 1.287 -10.552 5.031 1.00 0.00 H new ATOM 0 HA LYS A 72 3.606 -9.415 5.878 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.826 -11.631 6.552 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.802 -12.194 4.893 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.621 -13.243 6.042 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.271 -12.149 4.837 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.543 -10.444 6.762 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.228 -11.784 7.847 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.133 -13.048 6.751 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.485 -11.618 5.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.870 -11.731 7.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.846 -10.380 7.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.505 -11.765 8.771 1.00 0.00 H new ATOM 1049 N GLN A 73 3.893 -10.391 2.773 1.00 0.00 N ATOM 1050 CA GLN A 73 4.714 -10.338 1.603 1.00 0.00 C ATOM 1051 C GLN A 73 4.830 -8.950 1.073 1.00 0.00 C ATOM 1052 O GLN A 73 5.891 -8.500 0.642 1.00 0.00 O ATOM 1053 CB GLN A 73 4.098 -11.224 0.509 1.00 0.00 C ATOM 1054 CG GLN A 73 3.932 -12.699 0.885 1.00 0.00 C ATOM 1055 CD GLN A 73 5.239 -13.411 1.203 1.00 0.00 C ATOM 1056 OE1 GLN A 73 5.416 -13.992 2.273 1.00 0.00 O ATOM 1057 NE2 GLN A 73 6.185 -13.407 0.226 1.00 0.00 N ATOM 0 H GLN A 73 2.987 -10.827 2.602 1.00 0.00 H new ATOM 0 HA GLN A 73 5.708 -10.690 1.879 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.121 -10.820 0.244 1.00 0.00 H new ATOM 0 HB3 GLN A 73 4.722 -11.160 -0.383 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.272 -12.770 1.750 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.438 -13.219 0.064 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.010 -12.917 -0.651 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.069 -13.894 0.370 1.00 0.00 H new ATOM 1066 N ALA A 74 3.720 -8.194 1.127 1.00 0.00 N ATOM 1067 CA ALA A 74 3.647 -6.827 0.713 1.00 0.00 C ATOM 1068 C ALA A 74 4.398 -5.890 1.594 1.00 0.00 C ATOM 1069 O ALA A 74 5.095 -4.996 1.117 1.00 0.00 O ATOM 1070 CB ALA A 74 2.165 -6.422 0.646 1.00 0.00 C ATOM 0 H ALA A 74 2.831 -8.552 1.476 1.00 0.00 H new ATOM 0 HA ALA A 74 4.124 -6.753 -0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.086 -5.381 0.332 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.646 -7.058 -0.071 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.711 -6.539 1.630 1.00 0.00 H new ATOM 1076 N VAL A 75 4.306 -6.074 2.924 1.00 0.00 N ATOM 1077 CA VAL A 75 4.948 -5.298 3.939 1.00 0.00 C ATOM 1078 C VAL A 75 6.435 -5.373 3.887 1.00 0.00 C ATOM 1079 O VAL A 75 7.089 -4.331 3.883 1.00 0.00 O ATOM 1080 CB VAL A 75 4.400 -5.626 5.295 1.00 0.00 C ATOM 1081 CG1 VAL A 75 5.266 -5.117 6.460 1.00 0.00 C ATOM 1082 CG2 VAL A 75 2.993 -5.009 5.362 1.00 0.00 C ATOM 0 H VAL A 75 3.738 -6.824 3.318 1.00 0.00 H new ATOM 0 HA VAL A 75 4.712 -4.254 3.733 1.00 0.00 H new ATOM 0 HB VAL A 75 4.384 -6.709 5.413 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.802 -5.394 7.407 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.258 -5.564 6.398 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.352 -4.032 6.402 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.549 -5.221 6.335 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.062 -3.930 5.222 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.370 -5.438 4.577 1.00 0.00 H new ATOM 1092 N GLU A 76 7.036 -6.571 3.784 1.00 0.00 N ATOM 1093 CA GLU A 76 8.445 -6.752 3.613 1.00 0.00 C ATOM 1094 C GLU A 76 9.000 -5.992 2.459 1.00 0.00 C ATOM 1095 O GLU A 76 9.993 -5.272 2.558 1.00 0.00 O ATOM 1096 CB GLU A 76 8.759 -8.248 3.439 1.00 0.00 C ATOM 1097 CG GLU A 76 10.250 -8.580 3.347 1.00 0.00 C ATOM 1098 CD GLU A 76 10.504 -10.049 3.040 1.00 0.00 C ATOM 1099 OE1 GLU A 76 10.478 -10.891 3.977 1.00 0.00 O ATOM 1100 OE2 GLU A 76 10.769 -10.373 1.852 1.00 0.00 O ATOM 0 H GLU A 76 6.520 -7.450 3.821 1.00 0.00 H new ATOM 0 HA GLU A 76 8.922 -6.360 4.511 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.329 -8.796 4.278 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.264 -8.607 2.537 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.708 -7.966 2.572 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.735 -8.320 4.288 1.00 0.00 H new ATOM 1107 N THR A 77 8.308 -6.080 1.309 1.00 0.00 N ATOM 1108 CA THR A 77 8.664 -5.515 0.044 1.00 0.00 C ATOM 1109 C THR A 77 8.656 -4.025 0.043 1.00 0.00 C ATOM 1110 O THR A 77 9.554 -3.389 -0.508 1.00 0.00 O ATOM 1111 CB THR A 77 7.757 -6.069 -1.014 1.00 0.00 C ATOM 1112 OG1 THR A 77 7.833 -7.488 -1.014 1.00 0.00 O ATOM 1113 CG2 THR A 77 8.146 -5.597 -2.425 1.00 0.00 C ATOM 0 H THR A 77 7.426 -6.590 1.262 1.00 0.00 H new ATOM 0 HA THR A 77 9.695 -5.798 -0.170 1.00 0.00 H new ATOM 0 HB THR A 77 6.753 -5.714 -0.780 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.103 -7.855 -0.473 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.459 -6.026 -3.154 1.00 0.00 H new ATOM 0 HG22 THR A 77 8.093 -4.509 -2.472 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.162 -5.921 -2.650 1.00 0.00 H new ATOM 1121 N LEU A 78 7.659 -3.378 0.674 1.00 0.00 N ATOM 1122 CA LEU A 78 7.597 -1.952 0.760 1.00 0.00 C ATOM 1123 C LEU A 78 8.357 -1.360 1.897 1.00 0.00 C ATOM 1124 O LEU A 78 8.820 -0.225 1.811 1.00 0.00 O ATOM 1125 CB LEU A 78 6.152 -1.427 0.819 1.00 0.00 C ATOM 1126 CG LEU A 78 5.305 -1.748 -0.424 1.00 0.00 C ATOM 1127 CD1 LEU A 78 3.941 -1.043 -0.321 1.00 0.00 C ATOM 1128 CD2 LEU A 78 5.978 -1.348 -1.748 1.00 0.00 C ATOM 0 H LEU A 78 6.882 -3.854 1.133 1.00 0.00 H new ATOM 0 HA LEU A 78 8.078 -1.630 -0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.661 -1.849 1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.177 -0.346 0.957 1.00 0.00 H new ATOM 0 HG LEU A 78 5.186 -2.831 -0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.345 -1.273 -1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.419 -1.390 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.092 0.035 -0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.323 -1.604 -2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.166 -0.274 -1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.923 -1.882 -1.852 1.00 0.00 H new ATOM 1140 N ARG A 79 8.558 -2.081 3.016 1.00 0.00 N ATOM 1141 CA ARG A 79 9.397 -1.624 4.080 1.00 0.00 C ATOM 1142 C ARG A 79 10.827 -1.521 3.678 1.00 0.00 C ATOM 1143 O ARG A 79 11.460 -0.495 3.926 1.00 0.00 O ATOM 1144 CB ARG A 79 9.271 -2.468 5.360 1.00 0.00 C ATOM 1145 CG ARG A 79 8.046 -2.100 6.200 1.00 0.00 C ATOM 1146 CD ARG A 79 8.018 -2.825 7.547 1.00 0.00 C ATOM 1147 NE ARG A 79 6.949 -2.195 8.373 1.00 0.00 N ATOM 1148 CZ ARG A 79 7.081 -1.935 9.706 1.00 0.00 C ATOM 1149 NH1 ARG A 79 8.096 -2.459 10.453 1.00 0.00 N ATOM 1150 NH2 ARG A 79 6.153 -1.160 10.340 1.00 0.00 N ATOM 0 H ARG A 79 8.133 -2.993 3.184 1.00 0.00 H new ATOM 0 HA ARG A 79 9.031 -0.623 4.308 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.216 -3.522 5.089 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.170 -2.340 5.963 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.037 -1.023 6.371 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.141 -2.342 5.642 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.818 -3.887 7.407 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.984 -2.746 8.045 1.00 0.00 H new ATOM 0 HE ARG A 79 6.071 -1.945 7.917 1.00 0.00 H new ATOM 0 HH11 ARG A 79 8.789 -3.068 10.017 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.162 -2.242 11.447 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.365 -0.778 9.817 1.00 0.00 H new ATOM 0 HH22 ARG A 79 6.248 -0.963 11.336 1.00 0.00 H new ATOM 1164 N ASN A 80 11.395 -2.530 2.994 1.00 0.00 N ATOM 1165 CA ASN A 80 12.744 -2.467 2.523 1.00 0.00 C ATOM 1166 C ASN A 80 12.855 -1.747 1.223 1.00 0.00 C ATOM 1167 O ASN A 80 13.317 -2.265 0.207 1.00 0.00 O ATOM 1168 CB ASN A 80 13.365 -3.873 2.455 1.00 0.00 C ATOM 1169 CG ASN A 80 14.881 -3.792 2.559 1.00 0.00 C ATOM 1170 OD1 ASN A 80 15.427 -3.439 3.604 1.00 0.00 O ATOM 1171 ND2 ASN A 80 15.598 -4.086 1.442 1.00 0.00 N ATOM 0 H ASN A 80 10.913 -3.399 2.765 1.00 0.00 H new ATOM 0 HA ASN A 80 13.316 -1.884 3.245 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.972 -4.490 3.263 1.00 0.00 H new ATOM 0 HB3 ASN A 80 13.084 -4.356 1.519 1.00 0.00 H new ATOM 0 HD21 ASN A 80 16.616 -4.017 1.456 1.00 0.00 H new ATOM 0 HD22 ASN A 80 15.118 -4.376 0.590 1.00 0.00 H new ATOM 1178 N THR A 81 12.447 -0.466 1.216 1.00 0.00 N ATOM 1179 CA THR A 81 12.538 0.449 0.121 1.00 0.00 C ATOM 1180 C THR A 81 13.809 1.220 0.231 1.00 0.00 C ATOM 1181 O THR A 81 14.797 0.898 -0.424 1.00 0.00 O ATOM 1182 CB THR A 81 11.362 1.373 0.014 1.00 0.00 C ATOM 1183 OG1 THR A 81 10.809 1.678 1.286 1.00 0.00 O ATOM 1184 CG2 THR A 81 10.266 0.666 -0.802 1.00 0.00 C ATOM 0 H THR A 81 12.021 -0.039 2.039 1.00 0.00 H new ATOM 0 HA THR A 81 12.532 -0.140 -0.796 1.00 0.00 H new ATOM 0 HB THR A 81 11.703 2.296 -0.454 1.00 0.00 H new ATOM 0 HG1 THR A 81 10.106 1.030 1.501 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.400 1.321 -0.892 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.647 0.430 -1.795 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.973 -0.255 -0.297 1.00 0.00 H new ATOM 1192 N GLY A 82 13.840 2.270 1.073 1.00 0.00 N ATOM 1193 CA GLY A 82 15.022 3.012 1.382 1.00 0.00 C ATOM 1194 C GLY A 82 15.138 4.308 0.657 1.00 0.00 C ATOM 1195 O GLY A 82 14.901 5.372 1.225 1.00 0.00 O ATOM 0 H GLY A 82 13.010 2.614 1.556 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.046 3.205 2.454 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.893 2.399 1.149 1.00 0.00 H new ATOM 1199 N GLN A 83 15.550 4.271 -0.624 1.00 0.00 N ATOM 1200 CA GLN A 83 15.799 5.434 -1.418 1.00 0.00 C ATOM 1201 C GLN A 83 14.565 6.027 -2.005 1.00 0.00 C ATOM 1202 O GLN A 83 14.264 7.205 -1.815 1.00 0.00 O ATOM 1203 CB GLN A 83 16.789 5.083 -2.542 1.00 0.00 C ATOM 1204 CG GLN A 83 17.194 6.275 -3.411 1.00 0.00 C ATOM 1205 CD GLN A 83 18.014 5.883 -4.632 1.00 0.00 C ATOM 1206 OE1 GLN A 83 18.401 4.735 -4.848 1.00 0.00 O ATOM 1207 NE2 GLN A 83 18.274 6.897 -5.500 1.00 0.00 N ATOM 0 H GLN A 83 15.716 3.398 -1.125 1.00 0.00 H new ATOM 0 HA GLN A 83 16.219 6.187 -0.751 1.00 0.00 H new ATOM 0 HB2 GLN A 83 17.685 4.648 -2.100 1.00 0.00 H new ATOM 0 HB3 GLN A 83 16.344 4.318 -3.178 1.00 0.00 H new ATOM 0 HG2 GLN A 83 16.296 6.798 -3.739 1.00 0.00 H new ATOM 0 HG3 GLN A 83 17.769 6.977 -2.807 1.00 0.00 H new ATOM 0 HE21 GLN A 83 17.942 7.840 -5.297 1.00 0.00 H new ATOM 0 HE22 GLN A 83 18.801 6.715 -6.354 1.00 0.00 H new ATOM 1216 N VAL A 84 13.834 5.230 -2.804 1.00 0.00 N ATOM 1217 CA VAL A 84 12.792 5.681 -3.673 1.00 0.00 C ATOM 1218 C VAL A 84 11.613 4.774 -3.588 1.00 0.00 C ATOM 1219 O VAL A 84 11.738 3.582 -3.312 1.00 0.00 O ATOM 1220 CB VAL A 84 13.317 5.816 -5.072 1.00 0.00 C ATOM 1221 CG1 VAL A 84 13.810 4.470 -5.629 1.00 0.00 C ATOM 1222 CG2 VAL A 84 12.308 6.467 -6.034 1.00 0.00 C ATOM 0 H VAL A 84 13.977 4.221 -2.846 1.00 0.00 H new ATOM 0 HA VAL A 84 12.452 6.667 -3.357 1.00 0.00 H new ATOM 0 HB VAL A 84 14.170 6.491 -5.004 1.00 0.00 H new ATOM 0 HG11 VAL A 84 14.182 4.611 -6.644 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.612 4.087 -4.998 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.986 3.757 -5.640 1.00 0.00 H new ATOM 0 HG21 VAL A 84 12.747 6.536 -7.029 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.403 5.860 -6.078 1.00 0.00 H new ATOM 0 HG23 VAL A 84 12.058 7.466 -5.677 1.00 0.00 H new ATOM 1232 N VAL A 85 10.397 5.312 -3.787 1.00 0.00 N ATOM 1233 CA VAL A 85 9.165 4.585 -3.778 1.00 0.00 C ATOM 1234 C VAL A 85 8.419 4.938 -5.019 1.00 0.00 C ATOM 1235 O VAL A 85 7.972 6.073 -5.171 1.00 0.00 O ATOM 1236 CB VAL A 85 8.336 4.932 -2.577 1.00 0.00 C ATOM 1237 CG1 VAL A 85 6.971 4.225 -2.595 1.00 0.00 C ATOM 1238 CG2 VAL A 85 9.082 4.565 -1.283 1.00 0.00 C ATOM 0 H VAL A 85 10.266 6.308 -3.964 1.00 0.00 H new ATOM 0 HA VAL A 85 9.375 3.516 -3.736 1.00 0.00 H new ATOM 0 HB VAL A 85 8.163 6.008 -2.610 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.404 4.505 -1.707 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.419 4.522 -3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.121 3.145 -2.604 1.00 0.00 H new ATOM 0 HG21 VAL A 85 8.466 4.824 -0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.288 3.495 -1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.021 5.116 -1.236 1.00 0.00 H new ATOM 1248 N HIS A 86 8.241 3.999 -5.965 1.00 0.00 N ATOM 1249 CA HIS A 86 7.494 4.242 -7.160 1.00 0.00 C ATOM 1250 C HIS A 86 6.452 3.194 -7.357 1.00 0.00 C ATOM 1251 O HIS A 86 6.750 2.062 -7.732 1.00 0.00 O ATOM 1252 CB HIS A 86 8.444 4.322 -8.366 1.00 0.00 C ATOM 1253 CG HIS A 86 7.938 5.094 -9.549 1.00 0.00 C ATOM 1254 ND1 HIS A 86 8.873 5.574 -10.443 1.00 0.00 N ATOM 1255 CD2 HIS A 86 6.681 5.408 -9.963 1.00 0.00 C ATOM 1256 CE1 HIS A 86 8.175 6.193 -11.377 1.00 0.00 C ATOM 1257 NE2 HIS A 86 6.839 6.112 -11.139 1.00 0.00 N ATOM 0 H HIS A 86 8.622 3.055 -5.899 1.00 0.00 H new ATOM 0 HA HIS A 86 6.980 5.198 -7.066 1.00 0.00 H new ATOM 0 HB2 HIS A 86 9.381 4.772 -8.037 1.00 0.00 H new ATOM 0 HB3 HIS A 86 8.674 3.307 -8.690 1.00 0.00 H new ATOM 0 HD2 HIS A 86 5.752 5.158 -9.473 1.00 0.00 H new ATOM 0 HE1 HIS A 86 8.611 6.701 -12.225 1.00 0.00 H new ATOM 0 HE2 HIS A 86 6.095 6.498 -11.720 1.00 0.00 H new ATOM 1265 N LEU A 87 5.175 3.522 -7.091 1.00 0.00 N ATOM 1266 CA LEU A 87 4.112 2.568 -7.032 1.00 0.00 C ATOM 1267 C LEU A 87 2.974 2.971 -7.904 1.00 0.00 C ATOM 1268 O LEU A 87 2.845 4.133 -8.287 1.00 0.00 O ATOM 1269 CB LEU A 87 3.572 2.393 -5.602 1.00 0.00 C ATOM 1270 CG LEU A 87 4.614 1.986 -4.548 1.00 0.00 C ATOM 1271 CD1 LEU A 87 3.963 1.914 -3.156 1.00 0.00 C ATOM 1272 CD2 LEU A 87 5.291 0.640 -4.855 1.00 0.00 C ATOM 0 H LEU A 87 4.873 4.480 -6.912 1.00 0.00 H new ATOM 0 HA LEU A 87 4.537 1.626 -7.378 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.111 3.330 -5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.784 1.640 -5.619 1.00 0.00 H new ATOM 0 HG LEU A 87 5.387 2.755 -4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.712 1.625 -2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.554 2.890 -2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.161 1.176 -3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.015 0.410 -4.073 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.537 -0.146 -4.893 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.801 0.700 -5.816 1.00 0.00 H new ATOM 1284 N LEU A 88 2.083 2.015 -8.222 1.00 0.00 N ATOM 1285 CA LEU A 88 0.945 2.189 -9.071 1.00 0.00 C ATOM 1286 C LEU A 88 -0.262 1.864 -8.260 1.00 0.00 C ATOM 1287 O LEU A 88 -0.273 0.880 -7.523 1.00 0.00 O ATOM 1288 CB LEU A 88 0.954 1.198 -10.247 1.00 0.00 C ATOM 1289 CG LEU A 88 1.624 1.661 -11.552 1.00 0.00 C ATOM 1290 CD1 LEU A 88 0.752 2.710 -12.264 1.00 0.00 C ATOM 1291 CD2 LEU A 88 3.074 2.141 -11.378 1.00 0.00 C ATOM 0 H LEU A 88 2.162 1.063 -7.864 1.00 0.00 H new ATOM 0 HA LEU A 88 0.954 3.208 -9.457 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.452 0.286 -9.917 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.079 0.933 -10.473 1.00 0.00 H new ATOM 0 HG LEU A 88 1.699 0.778 -12.187 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.242 3.026 -13.185 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.219 2.276 -12.500 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.615 3.573 -11.612 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.473 2.450 -12.344 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.098 2.985 -10.689 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.681 1.329 -10.977 1.00 0.00 H new ATOM 1303 N LEU A 89 -1.327 2.679 -8.362 1.00 0.00 N ATOM 1304 CA LEU A 89 -2.509 2.516 -7.574 1.00 0.00 C ATOM 1305 C LEU A 89 -3.724 2.989 -8.294 1.00 0.00 C ATOM 1306 O LEU A 89 -3.650 3.731 -9.273 1.00 0.00 O ATOM 1307 CB LEU A 89 -2.402 3.172 -6.187 1.00 0.00 C ATOM 1308 CG LEU A 89 -1.931 4.633 -6.082 1.00 0.00 C ATOM 1309 CD1 LEU A 89 -2.304 5.166 -4.689 1.00 0.00 C ATOM 1310 CD2 LEU A 89 -0.416 4.826 -6.264 1.00 0.00 C ATOM 0 H LEU A 89 -1.368 3.469 -9.006 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.610 1.443 -7.408 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.384 3.109 -5.718 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.723 2.565 -5.588 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.423 5.171 -6.893 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.977 6.202 -4.596 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.385 5.113 -4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.815 4.562 -3.925 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.171 5.884 -6.175 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.117 4.264 -5.497 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.119 4.466 -7.249 1.00 0.00 H new ATOM 1322 N GLU A 90 -4.910 2.544 -7.840 1.00 0.00 N ATOM 1323 CA GLU A 90 -6.193 2.903 -8.358 1.00 0.00 C ATOM 1324 C GLU A 90 -6.951 3.670 -7.331 1.00 0.00 C ATOM 1325 O GLU A 90 -7.006 3.275 -6.167 1.00 0.00 O ATOM 1326 CB GLU A 90 -6.991 1.628 -8.683 1.00 0.00 C ATOM 1327 CG GLU A 90 -8.326 1.874 -9.388 1.00 0.00 C ATOM 1328 CD GLU A 90 -9.201 0.628 -9.389 1.00 0.00 C ATOM 1329 OE1 GLU A 90 -9.686 0.234 -8.295 1.00 0.00 O ATOM 1330 OE2 GLU A 90 -9.459 0.044 -10.475 1.00 0.00 O ATOM 0 H GLU A 90 -4.975 1.890 -7.060 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.054 3.506 -9.256 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.378 0.981 -9.311 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.179 1.087 -7.756 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.854 2.689 -8.893 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.142 2.190 -10.415 1.00 0.00 H new ATOM 1337 N LYS A 91 -7.598 4.784 -7.716 1.00 0.00 N ATOM 1338 CA LYS A 91 -8.464 5.526 -6.853 1.00 0.00 C ATOM 1339 C LYS A 91 -9.658 4.764 -6.389 1.00 0.00 C ATOM 1340 O LYS A 91 -10.307 4.038 -7.141 1.00 0.00 O ATOM 1341 CB LYS A 91 -8.921 6.850 -7.486 1.00 0.00 C ATOM 1342 CG LYS A 91 -7.963 8.033 -7.326 1.00 0.00 C ATOM 1343 CD LYS A 91 -7.752 8.350 -5.845 1.00 0.00 C ATOM 1344 CE LYS A 91 -6.964 9.611 -5.486 1.00 0.00 C ATOM 1345 NZ LYS A 91 -6.875 9.682 -4.010 1.00 0.00 N ATOM 0 H LYS A 91 -7.517 5.180 -8.653 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.851 5.736 -5.977 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.087 6.683 -8.550 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.883 7.125 -7.052 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.007 7.801 -7.795 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.365 8.907 -7.838 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.733 8.425 -5.376 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -7.245 7.499 -5.390 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.968 9.578 -5.928 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.460 10.497 -5.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.938 10.039 -3.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.609 10.324 -3.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.016 8.733 -3.608 1.00 0.00 H new ATOM 1359 N GLY A 92 -9.961 4.865 -5.083 1.00 0.00 N ATOM 1360 CA GLY A 92 -11.045 4.175 -4.456 1.00 0.00 C ATOM 1361 C GLY A 92 -12.381 4.829 -4.547 1.00 0.00 C ATOM 1362 O GLY A 92 -12.806 5.356 -5.574 1.00 0.00 O ATOM 0 H GLY A 92 -9.430 5.450 -4.438 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -11.119 3.181 -4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.801 4.039 -3.402 1.00 0.00 H new ATOM 1366 N GLN A 93 -13.124 4.780 -3.427 1.00 0.00 N ATOM 1367 CA GLN A 93 -14.399 5.403 -3.247 1.00 0.00 C ATOM 1368 C GLN A 93 -14.259 6.739 -2.604 1.00 0.00 C ATOM 1369 O GLN A 93 -13.290 7.029 -1.905 1.00 0.00 O ATOM 1370 CB GLN A 93 -15.333 4.521 -2.399 1.00 0.00 C ATOM 1371 CG GLN A 93 -15.527 3.108 -2.953 1.00 0.00 C ATOM 1372 CD GLN A 93 -16.272 2.238 -1.951 1.00 0.00 C ATOM 1373 OE1 GLN A 93 -16.880 2.708 -0.990 1.00 0.00 O ATOM 1374 NE2 GLN A 93 -16.209 0.895 -2.153 1.00 0.00 N ATOM 0 H GLN A 93 -12.815 4.274 -2.597 1.00 0.00 H new ATOM 0 HA GLN A 93 -14.836 5.532 -4.237 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -14.932 4.452 -1.388 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -16.306 5.007 -2.323 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -16.083 3.152 -3.889 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -14.558 2.664 -3.179 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -15.700 0.523 -2.955 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -16.670 0.259 -1.502 1.00 0.00 H new ATOM 1383 N SER A 94 -15.242 7.629 -2.832 1.00 0.00 N ATOM 1384 CA SER A 94 -15.191 8.995 -2.412 1.00 0.00 C ATOM 1385 C SER A 94 -15.383 9.185 -0.946 1.00 0.00 C ATOM 1386 O SER A 94 -16.179 8.450 -0.361 1.00 0.00 O ATOM 1387 CB SER A 94 -16.231 9.832 -3.176 1.00 0.00 C ATOM 1388 OG SER A 94 -15.904 11.214 -3.180 1.00 0.00 O ATOM 0 H SER A 94 -16.102 7.389 -3.326 1.00 0.00 H new ATOM 0 HA SER A 94 -14.182 9.335 -2.644 1.00 0.00 H new ATOM 0 HB2 SER A 94 -16.301 9.473 -4.203 1.00 0.00 H new ATOM 0 HB3 SER A 94 -17.212 9.693 -2.722 1.00 0.00 H new ATOM 0 HG SER A 94 -16.588 11.711 -3.676 1.00 0.00 H new ATOM 1394 N PRO A 95 -14.732 10.068 -0.250 1.00 0.00 N ATOM 1395 CA PRO A 95 -14.924 10.232 1.161 1.00 0.00 C ATOM 1396 C PRO A 95 -16.142 11.012 1.521 1.00 0.00 C ATOM 1397 O PRO A 95 -16.447 12.025 0.894 1.00 0.00 O ATOM 1398 CB PRO A 95 -13.678 10.985 1.623 1.00 0.00 C ATOM 1399 CG PRO A 95 -13.269 11.819 0.399 1.00 0.00 C ATOM 1400 CD PRO A 95 -13.612 10.853 -0.747 1.00 0.00 C ATOM 0 HA PRO A 95 -15.067 9.261 1.635 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.891 11.619 2.484 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.885 10.299 1.921 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.828 12.753 0.332 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -12.211 12.081 0.414 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.880 11.395 -1.654 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.763 10.217 -0.995 1.00 0.00 H new ATOM 1408 N THR A 96 -16.857 10.577 2.574 1.00 0.00 N ATOM 1409 CA THR A 96 -17.993 11.247 3.128 1.00 0.00 C ATOM 1410 C THR A 96 -17.585 12.082 4.333 1.00 0.00 C ATOM 1411 O THR A 96 -17.859 13.311 4.338 1.00 0.00 O ATOM 1412 CB THR A 96 -19.081 10.314 3.573 1.00 0.00 C ATOM 1413 OG1 THR A 96 -18.581 9.338 4.476 1.00 0.00 O ATOM 1414 CG2 THR A 96 -19.654 9.580 2.350 1.00 0.00 C ATOM 1415 OXT THR A 96 -17.022 11.525 5.314 1.00 0.00 O ATOM 0 H THR A 96 -16.630 9.712 3.065 1.00 0.00 H new ATOM 0 HA THR A 96 -18.381 11.870 2.322 1.00 0.00 H new ATOM 0 HB THR A 96 -19.849 10.906 4.071 1.00 0.00 H new ATOM 0 HG1 THR A 96 -17.957 9.761 5.102 1.00 0.00 H new ATOM 0 HG21 THR A 96 -20.445 8.901 2.670 1.00 0.00 H new ATOM 0 HG22 THR A 96 -20.062 10.307 1.648 1.00 0.00 H new ATOM 0 HG23 THR A 96 -18.862 9.010 1.864 1.00 0.00 H new TER 1423 THR A 96 ATOM 1424 N PHE B 1 -18.602 -22.831 16.679 1.00 0.00 N ATOM 1425 CA PHE B 1 -18.502 -22.907 15.204 1.00 0.00 C ATOM 1426 C PHE B 1 -17.734 -24.096 14.738 1.00 0.00 C ATOM 1427 O PHE B 1 -18.332 -25.113 14.390 1.00 0.00 O ATOM 1428 CB PHE B 1 -17.944 -21.598 14.621 1.00 0.00 C ATOM 1429 CG PHE B 1 -18.847 -20.442 14.884 1.00 0.00 C ATOM 1430 CD1 PHE B 1 -20.020 -20.304 14.181 1.00 0.00 C ATOM 1431 CD2 PHE B 1 -18.536 -19.514 15.849 1.00 0.00 C ATOM 1432 CE1 PHE B 1 -20.879 -19.265 14.445 1.00 0.00 C ATOM 1433 CE2 PHE B 1 -19.390 -18.472 16.122 1.00 0.00 C ATOM 1434 CZ PHE B 1 -20.567 -18.349 15.422 1.00 0.00 C ATOM 0 H1 PHE B 1 -18.679 -21.836 16.971 1.00 0.00 H new ATOM 0 H2 PHE B 1 -19.445 -23.351 16.997 1.00 0.00 H new ATOM 0 H3 PHE B 1 -17.753 -23.253 17.107 1.00 0.00 H new ATOM 0 HA PHE B 1 -19.515 -23.038 14.823 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -16.963 -21.398 15.052 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -17.803 -21.711 13.546 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -20.269 -21.021 13.412 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -17.611 -19.604 16.399 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -21.798 -19.168 13.886 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -19.137 -17.751 16.885 1.00 0.00 H new ATOM 0 HZ PHE B 1 -21.244 -17.536 15.639 1.00 0.00 H new ATOM 1446 N ALA B 2 -16.391 -24.061 14.695 1.00 0.00 N ATOM 1447 CA ALA B 2 -15.639 -25.153 14.158 1.00 0.00 C ATOM 1448 C ALA B 2 -15.352 -26.263 15.109 1.00 0.00 C ATOM 1449 O ALA B 2 -15.634 -27.421 14.806 1.00 0.00 O ATOM 1450 CB ALA B 2 -14.321 -24.634 13.559 1.00 0.00 C ATOM 0 H ALA B 2 -15.827 -23.280 15.030 1.00 0.00 H new ATOM 0 HA ALA B 2 -16.281 -25.589 13.393 1.00 0.00 H new ATOM 0 HB1 ALA B 2 -13.752 -25.470 13.152 1.00 0.00 H new ATOM 0 HB2 ALA B 2 -14.539 -23.921 12.764 1.00 0.00 H new ATOM 0 HB3 ALA B 2 -13.737 -24.142 14.337 1.00 0.00 H new ATOM 1456 N ASP B 3 -14.737 -25.953 16.265 1.00 0.00 N ATOM 1457 CA ASP B 3 -14.136 -26.843 17.209 1.00 0.00 C ATOM 1458 C ASP B 3 -12.861 -27.407 16.685 1.00 0.00 C ATOM 1459 O ASP B 3 -12.673 -28.618 16.588 1.00 0.00 O ATOM 1460 CB ASP B 3 -15.047 -27.936 17.794 1.00 0.00 C ATOM 1461 CG ASP B 3 -16.204 -27.359 18.598 1.00 0.00 C ATOM 1462 OD1 ASP B 3 -16.131 -26.190 19.063 1.00 0.00 O ATOM 1463 OD2 ASP B 3 -17.211 -28.096 18.770 1.00 0.00 O ATOM 0 H ASP B 3 -14.654 -24.982 16.565 1.00 0.00 H new ATOM 0 HA ASP B 3 -13.923 -26.208 18.069 1.00 0.00 H new ATOM 0 HB2 ASP B 3 -15.441 -28.549 16.983 1.00 0.00 H new ATOM 0 HB3 ASP B 3 -14.457 -28.594 18.432 1.00 0.00 H new ATOM 1468 N SER B 4 -11.910 -26.519 16.346 1.00 0.00 N ATOM 1469 CA SER B 4 -10.620 -26.885 15.848 1.00 0.00 C ATOM 1470 C SER B 4 -9.610 -26.027 16.526 1.00 0.00 C ATOM 1471 O SER B 4 -9.953 -25.058 17.202 1.00 0.00 O ATOM 1472 CB SER B 4 -10.504 -26.733 14.321 1.00 0.00 C ATOM 1473 OG SER B 4 -11.282 -27.729 13.675 1.00 0.00 O ATOM 0 H SER B 4 -12.043 -25.511 16.421 1.00 0.00 H new ATOM 0 HA SER B 4 -10.452 -27.941 16.062 1.00 0.00 H new ATOM 0 HB2 SER B 4 -10.843 -25.742 14.019 1.00 0.00 H new ATOM 0 HB3 SER B 4 -9.461 -26.820 14.017 1.00 0.00 H new ATOM 0 HG SER B 4 -11.205 -27.625 12.704 1.00 0.00 H new ATOM 1479 N GLU B 5 -8.310 -26.350 16.396 1.00 0.00 N ATOM 1480 CA GLU B 5 -7.260 -25.701 17.118 1.00 0.00 C ATOM 1481 C GLU B 5 -6.923 -24.332 16.636 1.00 0.00 C ATOM 1482 O GLU B 5 -7.534 -23.350 17.054 1.00 0.00 O ATOM 1483 CB GLU B 5 -6.015 -26.603 17.148 1.00 0.00 C ATOM 1484 CG GLU B 5 -6.168 -27.831 18.048 1.00 0.00 C ATOM 1485 CD GLU B 5 -6.269 -27.442 19.516 1.00 0.00 C ATOM 1486 OE1 GLU B 5 -5.315 -26.801 20.031 1.00 0.00 O ATOM 1487 OE2 GLU B 5 -7.284 -27.790 20.179 1.00 0.00 O ATOM 0 H GLU B 5 -7.980 -27.085 15.770 1.00 0.00 H new ATOM 0 HA GLU B 5 -7.637 -25.549 18.129 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -5.791 -26.933 16.133 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -5.161 -26.018 17.489 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -7.059 -28.387 17.757 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -5.316 -28.496 17.905 1.00 0.00 H new ATOM 1494 N ALA B 6 -5.901 -24.196 15.772 1.00 0.00 N ATOM 1495 CA ALA B 6 -5.386 -22.915 15.399 1.00 0.00 C ATOM 1496 C ALA B 6 -4.663 -22.976 14.097 1.00 0.00 C ATOM 1497 O ALA B 6 -3.843 -23.864 13.863 1.00 0.00 O ATOM 1498 CB ALA B 6 -4.419 -22.391 16.474 1.00 0.00 C ATOM 0 H ALA B 6 -5.427 -24.982 15.328 1.00 0.00 H new ATOM 0 HA ALA B 6 -6.238 -22.242 15.302 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -4.036 -21.415 16.175 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -4.946 -22.298 17.424 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -3.588 -23.088 16.587 1.00 0.00 H new ATOM 1504 N ASP B 7 -4.938 -22.024 13.188 1.00 0.00 N ATOM 1505 CA ASP B 7 -4.294 -21.937 11.916 1.00 0.00 C ATOM 1506 C ASP B 7 -3.772 -20.557 11.707 1.00 0.00 C ATOM 1507 O ASP B 7 -4.169 -19.845 10.785 1.00 0.00 O ATOM 1508 CB ASP B 7 -5.253 -22.334 10.780 1.00 0.00 C ATOM 1509 CG ASP B 7 -5.546 -23.827 10.818 1.00 0.00 C ATOM 1510 OD1 ASP B 7 -4.611 -24.638 10.582 1.00 0.00 O ATOM 1511 OD2 ASP B 7 -6.728 -24.212 11.025 1.00 0.00 O ATOM 0 H ASP B 7 -5.631 -21.292 13.344 1.00 0.00 H new ATOM 0 HA ASP B 7 -3.459 -22.637 11.902 1.00 0.00 H new ATOM 0 HB2 ASP B 7 -6.184 -21.774 10.871 1.00 0.00 H new ATOM 0 HB3 ASP B 7 -4.814 -22.069 9.818 1.00 0.00 H new ATOM 1516 N GLU B 8 -2.813 -20.152 12.558 1.00 0.00 N ATOM 1517 CA GLU B 8 -2.073 -18.930 12.486 1.00 0.00 C ATOM 1518 C GLU B 8 -2.867 -17.669 12.510 1.00 0.00 C ATOM 1519 O GLU B 8 -4.017 -17.646 12.944 1.00 0.00 O ATOM 1520 CB GLU B 8 -0.947 -19.004 11.441 1.00 0.00 C ATOM 1521 CG GLU B 8 -0.073 -20.241 11.658 1.00 0.00 C ATOM 1522 CD GLU B 8 1.250 -20.196 10.905 1.00 0.00 C ATOM 1523 OE1 GLU B 8 1.954 -19.154 10.986 1.00 0.00 O ATOM 1524 OE2 GLU B 8 1.618 -21.212 10.258 1.00 0.00 O ATOM 0 H GLU B 8 -2.535 -20.723 13.356 1.00 0.00 H new ATOM 0 HA GLU B 8 -1.573 -18.841 13.450 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -1.377 -19.030 10.440 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -0.332 -18.106 11.500 1.00 0.00 H new ATOM 0 HG2 GLU B 8 0.129 -20.350 12.724 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -0.628 -21.126 11.347 1.00 0.00 H new ATOM 1531 N ASN B 9 -2.263 -16.524 12.142 1.00 0.00 N ATOM 1532 CA ASN B 9 -2.802 -15.235 12.447 1.00 0.00 C ATOM 1533 C ASN B 9 -2.689 -14.320 11.276 1.00 0.00 C ATOM 1534 O ASN B 9 -2.012 -14.628 10.296 1.00 0.00 O ATOM 1535 CB ASN B 9 -2.063 -14.604 13.638 1.00 0.00 C ATOM 1536 CG ASN B 9 -1.862 -15.589 14.781 1.00 0.00 C ATOM 1537 OD1 ASN B 9 -2.792 -16.081 15.416 1.00 0.00 O ATOM 1538 ND2 ASN B 9 -0.574 -15.925 15.063 1.00 0.00 N ATOM 0 H ASN B 9 -1.385 -16.493 11.624 1.00 0.00 H new ATOM 0 HA ASN B 9 -3.853 -15.374 12.699 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -1.093 -14.233 13.306 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -2.627 -13.743 13.998 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -0.372 -16.592 15.808 1.00 0.00 H new ATOM 0 HD22 ASN B 9 0.190 -15.510 14.529 1.00 0.00 H new ATOM 1545 N GLU B 10 -3.344 -13.147 11.343 1.00 0.00 N ATOM 1546 CA GLU B 10 -3.185 -12.052 10.438 1.00 0.00 C ATOM 1547 C GLU B 10 -3.089 -10.817 11.267 1.00 0.00 C ATOM 1548 O GLU B 10 -3.466 -10.841 12.438 1.00 0.00 O ATOM 1549 CB GLU B 10 -4.366 -11.921 9.462 1.00 0.00 C ATOM 1550 CG GLU B 10 -4.530 -13.083 8.481 1.00 0.00 C ATOM 1551 CD GLU B 10 -3.471 -13.230 7.398 1.00 0.00 C ATOM 1552 OE1 GLU B 10 -2.679 -12.284 7.136 1.00 0.00 O ATOM 1553 OE2 GLU B 10 -3.447 -14.329 6.784 1.00 0.00 O ATOM 0 H GLU B 10 -4.027 -12.952 12.075 1.00 0.00 H new ATOM 0 HA GLU B 10 -2.294 -12.214 9.832 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -5.285 -11.821 10.040 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -4.246 -10.999 8.892 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -4.558 -14.009 9.055 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -5.500 -12.981 7.994 1.00 0.00 H new ATOM 1560 N GLN B 11 -2.593 -9.690 10.725 1.00 0.00 N ATOM 1561 CA GLN B 11 -2.359 -8.506 11.492 1.00 0.00 C ATOM 1562 C GLN B 11 -2.522 -7.249 10.707 1.00 0.00 C ATOM 1563 O GLN B 11 -3.028 -7.259 9.586 1.00 0.00 O ATOM 1564 CB GLN B 11 -0.998 -8.573 12.205 1.00 0.00 C ATOM 1565 CG GLN B 11 0.214 -8.664 11.275 1.00 0.00 C ATOM 1566 CD GLN B 11 1.501 -8.781 12.079 1.00 0.00 C ATOM 1567 OE1 GLN B 11 2.226 -7.809 12.287 1.00 0.00 O ATOM 1568 NE2 GLN B 11 1.823 -10.016 12.546 1.00 0.00 N ATOM 0 H GLN B 11 -2.351 -9.599 9.738 1.00 0.00 H new ATOM 0 HA GLN B 11 -3.137 -8.470 12.254 1.00 0.00 H new ATOM 0 HB2 GLN B 11 -0.890 -7.689 12.833 1.00 0.00 H new ATOM 0 HB3 GLN B 11 -0.994 -9.438 12.868 1.00 0.00 H new ATOM 0 HG2 GLN B 11 0.110 -9.527 10.618 1.00 0.00 H new ATOM 0 HG3 GLN B 11 0.257 -7.781 10.637 1.00 0.00 H new ATOM 0 HE21 GLN B 11 1.207 -10.808 12.362 1.00 0.00 H new ATOM 0 HE22 GLN B 11 2.681 -10.151 13.081 1.00 0.00 H new ATOM 1577 N VAL B 12 -2.140 -6.096 11.284 1.00 0.00 N ATOM 1578 CA VAL B 12 -2.302 -4.784 10.740 1.00 0.00 C ATOM 1579 C VAL B 12 -0.956 -4.147 10.685 1.00 0.00 C ATOM 1580 O VAL B 12 -0.275 -4.078 11.706 1.00 0.00 O ATOM 1581 CB VAL B 12 -3.201 -3.941 11.594 1.00 0.00 C ATOM 1582 CG1 VAL B 12 -3.516 -2.604 10.902 1.00 0.00 C ATOM 1583 CG2 VAL B 12 -4.515 -4.684 11.887 1.00 0.00 C ATOM 0 H VAL B 12 -1.685 -6.081 12.197 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.754 -4.862 9.751 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.681 -3.742 12.531 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.170 -2.009 11.540 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.589 -2.059 10.724 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.013 -2.795 9.951 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -5.156 -4.058 12.508 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.024 -4.907 10.949 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.298 -5.614 12.412 1.00 0.00 H new ATOM 1593 N SER B 13 -0.488 -3.678 9.514 1.00 0.00 N ATOM 1594 CA SER B 13 0.853 -3.220 9.319 1.00 0.00 C ATOM 1595 C SER B 13 0.926 -1.877 8.678 1.00 0.00 C ATOM 1596 O SER B 13 0.299 -1.669 7.641 1.00 0.00 O ATOM 1597 CB SER B 13 1.606 -4.132 8.336 1.00 0.00 C ATOM 1598 OG SER B 13 1.497 -5.497 8.711 1.00 0.00 O ATOM 0 H SER B 13 -1.063 -3.616 8.674 1.00 0.00 H new ATOM 0 HA SER B 13 1.281 -3.207 10.321 1.00 0.00 H new ATOM 0 HB2 SER B 13 1.206 -3.996 7.331 1.00 0.00 H new ATOM 0 HB3 SER B 13 2.657 -3.845 8.302 1.00 0.00 H new ATOM 0 HG SER B 13 2.298 -5.981 8.420 1.00 0.00 H new ATOM 1604 N ALA B 14 1.740 -0.936 9.187 1.00 0.00 N ATOM 1605 CA ALA B 14 1.915 0.368 8.625 1.00 0.00 C ATOM 1606 C ALA B 14 3.334 0.652 8.272 1.00 0.00 C ATOM 1607 O ALA B 14 4.262 0.028 8.785 1.00 0.00 O ATOM 1608 CB ALA B 14 1.426 1.445 9.609 1.00 0.00 C ATOM 0 H ALA B 14 2.300 -1.090 10.025 1.00 0.00 H new ATOM 0 HA ALA B 14 1.325 0.392 7.709 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.566 2.432 9.167 1.00 0.00 H new ATOM 0 HB2 ALA B 14 0.369 1.289 9.823 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.997 1.378 10.535 1.00 0.00 H new ATOM 1614 N VAL B 15 3.566 1.577 7.323 1.00 0.00 N ATOM 1615 CA VAL B 15 4.840 2.088 6.923 1.00 0.00 C ATOM 1616 C VAL B 15 4.622 3.471 6.328 1.00 0.00 C ATOM 1617 O VAL B 15 3.681 3.674 5.515 1.00 0.00 O ATOM 1618 CB VAL B 15 5.618 1.178 6.020 1.00 0.00 C ATOM 1619 CG1 VAL B 15 4.880 0.853 4.710 1.00 0.00 C ATOM 1620 CG2 VAL B 15 7.011 1.759 5.724 1.00 0.00 C ATOM 1621 OXT VAL B 15 5.350 4.425 6.712 1.00 0.00 O ATOM 0 H VAL B 15 2.802 1.999 6.795 1.00 0.00 H new ATOM 0 HA VAL B 15 5.477 2.156 7.805 1.00 0.00 H new ATOM 0 HB VAL B 15 5.731 0.237 6.558 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.495 0.191 4.101 1.00 0.00 H new ATOM 0 HG12 VAL B 15 3.934 0.362 4.938 1.00 0.00 H new ATOM 0 HG13 VAL B 15 4.687 1.776 4.162 1.00 0.00 H new ATOM 0 HG21 VAL B 15 7.556 1.081 5.067 1.00 0.00 H new ATOM 0 HG22 VAL B 15 6.905 2.729 5.237 1.00 0.00 H new ATOM 0 HG23 VAL B 15 7.561 1.880 6.657 1.00 0.00 H new TER 1631 VAL B 15