USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 438 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 Single : A 3 GLN : amide:sc= -0.595 X(o=-0.6,f=-1) USER MOD Single : A 4 CYS SG : rot -142:sc= -1.28 USER MOD Single : A 5 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.436) USER MOD Single : A 10 TYR OH : rot 30:sc= -0.161 USER MOD Single : A 13 GLN : amide:sc= -0.0152 X(o=-0.015,f=-0.31) USER MOD Single : A 14 ASN : amide:sc= -0.202 K(o=-0.2,f=-2.8!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.282 X(o=-0.28,f=-0.071) USER MOD Single : A 38 SER OG : rot 180:sc= -1.62 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.42!) USER MOD Single : A 44 LYS NZ :NH3+ -160:sc= -0.0206 (180deg=-0.214) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -1.453 11.293 3.225 1.00 0.00 N ATOM 21 CA ARG A 2 -1.645 10.093 4.030 1.00 0.00 C ATOM 22 C ARG A 2 -0.663 9.001 3.621 1.00 0.00 C ATOM 23 O ARG A 2 -0.267 8.912 2.459 1.00 0.00 O ATOM 24 CB ARG A 2 -3.080 9.584 3.892 1.00 0.00 C ATOM 25 CG ARG A 2 -4.130 10.613 4.276 1.00 0.00 C ATOM 26 CD ARG A 2 -5.527 10.014 4.267 1.00 0.00 C ATOM 27 NE ARG A 2 -6.521 10.936 4.811 1.00 0.00 N ATOM 28 CZ ARG A 2 -7.722 10.560 5.244 1.00 0.00 C ATOM 29 NH1 ARG A 2 -8.083 9.284 5.196 1.00 0.00 N ATOM 30 NH2 ARG A 2 -8.565 11.464 5.726 1.00 0.00 N ATOM 0 HA ARG A 2 -1.459 10.352 5.072 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.249 9.272 2.861 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.205 8.700 4.517 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.909 11.008 5.268 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.089 11.453 3.582 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.800 9.747 3.246 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.530 9.093 4.849 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.280 11.926 4.862 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.439 8.585 4.826 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -9.005 9.002 5.529 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -8.292 12.446 5.764 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -9.486 11.177 6.058 1.00 0.00 H new ATOM 44 N GLN A 3 -0.274 8.171 4.584 1.00 0.00 N ATOM 45 CA GLN A 3 0.662 7.084 4.322 1.00 0.00 C ATOM 46 C GLN A 3 0.423 5.918 5.275 1.00 0.00 C ATOM 47 O GLN A 3 -0.012 6.108 6.411 1.00 0.00 O ATOM 48 CB GLN A 3 2.103 7.580 4.451 1.00 0.00 C ATOM 49 CG GLN A 3 2.432 8.142 5.824 1.00 0.00 C ATOM 50 CD GLN A 3 3.914 8.402 6.006 1.00 0.00 C ATOM 51 OE1 GLN A 3 4.646 8.595 5.036 1.00 0.00 O ATOM 52 NE2 GLN A 3 4.365 8.408 7.255 1.00 0.00 N ATOM 0 H GLN A 3 -0.592 8.231 5.551 1.00 0.00 H new ATOM 0 HA GLN A 3 0.497 6.734 3.303 1.00 0.00 H new ATOM 0 HB2 GLN A 3 2.783 6.757 4.232 1.00 0.00 H new ATOM 0 HB3 GLN A 3 2.282 8.349 3.700 1.00 0.00 H new ATOM 0 HG2 GLN A 3 1.883 9.071 5.974 1.00 0.00 H new ATOM 0 HG3 GLN A 3 2.092 7.444 6.589 1.00 0.00 H new ATOM 0 HE21 GLN A 3 3.723 8.243 8.030 1.00 0.00 H new ATOM 0 HE22 GLN A 3 5.354 8.577 7.439 1.00 0.00 H new ATOM 61 N CYS A 4 0.713 4.710 4.803 1.00 0.00 N ATOM 62 CA CYS A 4 0.532 3.507 5.608 1.00 0.00 C ATOM 63 C CYS A 4 1.574 2.456 5.241 1.00 0.00 C ATOM 64 O CYS A 4 2.024 2.391 4.098 1.00 0.00 O ATOM 65 CB CYS A 4 -0.875 2.938 5.406 1.00 0.00 C ATOM 66 SG CYS A 4 -2.198 4.158 5.580 1.00 0.00 S ATOM 0 H CYS A 4 1.075 4.538 3.865 1.00 0.00 H new ATOM 0 HA CYS A 4 0.659 3.775 6.657 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -0.936 2.492 4.413 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.038 2.136 6.126 1.00 0.00 H new ATOM 0 HG CYS A 4 -3.217 3.611 6.173 1.00 0.00 H new ATOM 72 N LYS A 5 1.954 1.633 6.214 1.00 0.00 N ATOM 73 CA LYS A 5 2.944 0.589 5.975 1.00 0.00 C ATOM 74 C LYS A 5 2.344 -0.798 6.182 1.00 0.00 C ATOM 75 O LYS A 5 1.775 -1.094 7.229 1.00 0.00 O ATOM 76 CB LYS A 5 4.147 0.781 6.901 1.00 0.00 C ATOM 77 CG LYS A 5 5.211 -0.295 6.754 1.00 0.00 C ATOM 78 CD LYS A 5 5.065 -1.373 7.817 1.00 0.00 C ATOM 79 CE LYS A 5 5.587 -0.900 9.164 1.00 0.00 C ATOM 80 NZ LYS A 5 6.181 -2.015 9.953 1.00 0.00 N ATOM 0 H LYS A 5 1.595 1.668 7.168 1.00 0.00 H new ATOM 0 HA LYS A 5 3.272 0.667 4.938 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.597 1.754 6.701 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.800 0.797 7.934 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.139 -0.746 5.764 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.200 0.158 6.827 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.016 -1.654 7.910 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.608 -2.266 7.508 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.337 -0.124 9.010 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.773 -0.448 9.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.120 -1.793 10.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.660 -2.894 9.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.178 -2.138 9.684 1.00 0.00 H new ATOM 94 N VAL A 6 2.487 -1.639 5.167 1.00 0.00 N ATOM 95 CA VAL A 6 1.977 -3.006 5.196 1.00 0.00 C ATOM 96 C VAL A 6 2.674 -3.840 6.265 1.00 0.00 C ATOM 97 O VAL A 6 3.873 -3.691 6.501 1.00 0.00 O ATOM 98 CB VAL A 6 2.165 -3.704 3.831 1.00 0.00 C ATOM 99 CG1 VAL A 6 1.269 -4.928 3.728 1.00 0.00 C ATOM 100 CG2 VAL A 6 1.899 -2.740 2.680 1.00 0.00 C ATOM 0 H VAL A 6 2.961 -1.394 4.298 1.00 0.00 H new ATOM 0 HA VAL A 6 0.914 -2.935 5.428 1.00 0.00 H new ATOM 0 HB VAL A 6 3.202 -4.031 3.759 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.416 -5.406 2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.521 -5.631 4.522 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.227 -4.625 3.829 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.039 -3.258 1.731 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.876 -2.370 2.744 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.592 -1.901 2.740 1.00 0.00 H new ATOM 110 N LEU A 7 1.915 -4.727 6.899 1.00 0.00 N ATOM 111 CA LEU A 7 2.459 -5.599 7.935 1.00 0.00 C ATOM 112 C LEU A 7 2.860 -6.953 7.350 1.00 0.00 C ATOM 113 O LEU A 7 3.673 -7.672 7.930 1.00 0.00 O ATOM 114 CB LEU A 7 1.444 -5.790 9.067 1.00 0.00 C ATOM 115 CG LEU A 7 0.086 -6.356 8.644 1.00 0.00 C ATOM 116 CD1 LEU A 7 0.175 -7.859 8.437 1.00 0.00 C ATOM 117 CD2 LEU A 7 -0.976 -6.024 9.682 1.00 0.00 C ATOM 0 H LEU A 7 0.921 -4.862 6.714 1.00 0.00 H new ATOM 0 HA LEU A 7 3.350 -5.123 8.343 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.879 -6.455 9.813 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.282 -4.828 9.553 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.199 -5.895 7.698 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.800 -8.243 8.137 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.906 -8.076 7.658 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.483 -8.337 9.367 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.935 -6.434 9.365 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.695 -6.458 10.642 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.060 -4.942 9.784 1.00 0.00 H new ATOM 129 N PHE A 8 2.287 -7.292 6.196 1.00 0.00 N ATOM 130 CA PHE A 8 2.589 -8.557 5.532 1.00 0.00 C ATOM 131 C PHE A 8 3.292 -8.314 4.200 1.00 0.00 C ATOM 132 O PHE A 8 3.514 -7.170 3.803 1.00 0.00 O ATOM 133 CB PHE A 8 1.305 -9.360 5.303 1.00 0.00 C ATOM 134 CG PHE A 8 1.308 -10.703 5.976 1.00 0.00 C ATOM 135 CD1 PHE A 8 1.604 -10.818 7.325 1.00 0.00 C ATOM 136 CD2 PHE A 8 1.014 -11.852 5.259 1.00 0.00 C ATOM 137 CE1 PHE A 8 1.608 -12.053 7.946 1.00 0.00 C ATOM 138 CE2 PHE A 8 1.016 -13.090 5.874 1.00 0.00 C ATOM 139 CZ PHE A 8 1.314 -13.190 7.219 1.00 0.00 C ATOM 0 H PHE A 8 1.612 -6.708 5.703 1.00 0.00 H new ATOM 0 HA PHE A 8 3.255 -9.128 6.179 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.455 -8.782 5.667 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.160 -9.500 4.232 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.834 -9.932 7.898 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.781 -11.779 4.207 1.00 0.00 H new ATOM 0 HE1 PHE A 8 1.841 -12.129 8.998 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.785 -13.978 5.304 1.00 0.00 H new ATOM 0 HZ PHE A 8 1.317 -14.156 7.702 1.00 0.00 H new ATOM 149 N GLU A 9 3.638 -9.398 3.513 1.00 0.00 N ATOM 150 CA GLU A 9 4.314 -9.303 2.224 1.00 0.00 C ATOM 151 C GLU A 9 3.328 -9.504 1.077 1.00 0.00 C ATOM 152 O GLU A 9 2.190 -9.922 1.291 1.00 0.00 O ATOM 153 CB GLU A 9 5.436 -10.339 2.136 1.00 0.00 C ATOM 154 CG GLU A 9 6.788 -9.810 2.584 1.00 0.00 C ATOM 155 CD GLU A 9 7.770 -10.919 2.909 1.00 0.00 C ATOM 156 OE1 GLU A 9 7.341 -11.941 3.486 1.00 0.00 O ATOM 157 OE2 GLU A 9 8.966 -10.766 2.585 1.00 0.00 O ATOM 0 H GLU A 9 3.461 -10.352 3.827 1.00 0.00 H new ATOM 0 HA GLU A 9 4.744 -8.305 2.139 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.172 -11.202 2.748 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.515 -10.690 1.107 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.205 -9.179 1.799 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.654 -9.179 3.463 1.00 0.00 H new ATOM 164 N TYR A 10 3.771 -9.202 -0.139 1.00 0.00 N ATOM 165 CA TYR A 10 2.927 -9.351 -1.319 1.00 0.00 C ATOM 166 C TYR A 10 3.773 -9.545 -2.573 1.00 0.00 C ATOM 167 O TYR A 10 4.848 -8.960 -2.706 1.00 0.00 O ATOM 168 CB TYR A 10 2.024 -8.127 -1.484 1.00 0.00 C ATOM 169 CG TYR A 10 1.071 -8.233 -2.654 1.00 0.00 C ATOM 170 CD1 TYR A 10 -0.080 -9.007 -2.569 1.00 0.00 C ATOM 171 CD2 TYR A 10 1.322 -7.559 -3.843 1.00 0.00 C ATOM 172 CE1 TYR A 10 -0.952 -9.107 -3.637 1.00 0.00 C ATOM 173 CE2 TYR A 10 0.454 -7.653 -4.914 1.00 0.00 C ATOM 174 CZ TYR A 10 -0.681 -8.428 -4.806 1.00 0.00 C ATOM 175 OH TYR A 10 -1.548 -8.525 -5.870 1.00 0.00 O ATOM 0 H TYR A 10 4.709 -8.853 -0.333 1.00 0.00 H new ATOM 0 HA TYR A 10 2.306 -10.236 -1.181 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.449 -7.984 -0.569 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.646 -7.241 -1.612 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.297 -9.539 -1.654 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.211 -6.951 -3.931 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.841 -9.714 -3.556 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.664 -7.122 -5.831 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.459 -8.670 -5.538 1.00 0.00 H new ATOM 185 N ILE A 11 3.279 -10.369 -3.492 1.00 0.00 N ATOM 186 CA ILE A 11 3.988 -10.640 -4.736 1.00 0.00 C ATOM 187 C ILE A 11 3.177 -10.167 -5.944 1.00 0.00 C ATOM 188 O ILE A 11 2.067 -10.644 -6.178 1.00 0.00 O ATOM 189 CB ILE A 11 4.294 -12.145 -4.888 1.00 0.00 C ATOM 190 CG1 ILE A 11 5.154 -12.394 -6.129 1.00 0.00 C ATOM 191 CG2 ILE A 11 3.004 -12.949 -4.958 1.00 0.00 C ATOM 192 CD1 ILE A 11 6.636 -12.475 -5.831 1.00 0.00 C ATOM 0 H ILE A 11 2.390 -10.860 -3.398 1.00 0.00 H new ATOM 0 HA ILE A 11 4.928 -10.089 -4.696 1.00 0.00 H new ATOM 0 HB ILE A 11 4.853 -12.473 -4.012 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.835 -13.323 -6.602 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.979 -11.594 -6.849 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.240 -14.008 -5.065 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.430 -12.796 -4.044 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.416 -12.620 -5.815 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.184 -12.653 -6.756 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.969 -11.537 -5.386 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.823 -13.293 -5.136 1.00 0.00 H new ATOM 204 N PRO A 12 3.720 -9.219 -6.732 1.00 0.00 N ATOM 205 CA PRO A 12 3.032 -8.692 -7.914 1.00 0.00 C ATOM 206 C PRO A 12 2.967 -9.709 -9.048 1.00 0.00 C ATOM 207 O PRO A 12 3.985 -10.273 -9.449 1.00 0.00 O ATOM 208 CB PRO A 12 3.890 -7.493 -8.320 1.00 0.00 C ATOM 209 CG PRO A 12 5.250 -7.810 -7.804 1.00 0.00 C ATOM 210 CD PRO A 12 5.040 -8.589 -6.534 1.00 0.00 C ATOM 0 HA PRO A 12 1.994 -8.437 -7.701 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.898 -7.360 -9.402 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.508 -6.568 -7.888 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.817 -8.393 -8.530 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.817 -6.899 -7.614 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.822 -9.334 -6.386 1.00 0.00 H new ATOM 0 HD3 PRO A 12 5.048 -7.940 -5.659 1.00 0.00 H new ATOM 218 N GLN A 13 1.763 -9.939 -9.562 1.00 0.00 N ATOM 219 CA GLN A 13 1.565 -10.889 -10.652 1.00 0.00 C ATOM 220 C GLN A 13 1.062 -10.180 -11.905 1.00 0.00 C ATOM 221 O GLN A 13 1.467 -10.508 -13.020 1.00 0.00 O ATOM 222 CB GLN A 13 0.574 -11.977 -10.234 1.00 0.00 C ATOM 223 CG GLN A 13 0.846 -13.327 -10.879 1.00 0.00 C ATOM 224 CD GLN A 13 0.811 -14.468 -9.881 1.00 0.00 C ATOM 225 OE1 GLN A 13 0.022 -14.458 -8.936 1.00 0.00 O ATOM 226 NE2 GLN A 13 1.668 -15.461 -10.088 1.00 0.00 N ATOM 0 H GLN A 13 0.910 -9.481 -9.242 1.00 0.00 H new ATOM 0 HA GLN A 13 2.526 -11.351 -10.879 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.605 -12.088 -9.150 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.435 -11.657 -10.493 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.106 -13.509 -11.659 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.822 -13.304 -11.364 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.304 -15.428 -10.885 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.690 -16.257 -9.450 1.00 0.00 H new ATOM 235 N ASN A 14 0.177 -9.207 -11.714 1.00 0.00 N ATOM 236 CA ASN A 14 -0.381 -8.451 -12.830 1.00 0.00 C ATOM 237 C ASN A 14 0.474 -7.227 -13.141 1.00 0.00 C ATOM 238 O ASN A 14 1.346 -6.852 -12.358 1.00 0.00 O ATOM 239 CB ASN A 14 -1.814 -8.019 -12.513 1.00 0.00 C ATOM 240 CG ASN A 14 -2.758 -9.198 -12.380 1.00 0.00 C ATOM 241 OD1 ASN A 14 -2.329 -10.327 -12.143 1.00 0.00 O ATOM 242 ND2 ASN A 14 -4.052 -8.941 -12.532 1.00 0.00 N ATOM 0 H ASN A 14 -0.169 -8.923 -10.797 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.388 -9.098 -13.707 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.821 -7.445 -11.586 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.173 -7.357 -13.300 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.734 -9.695 -12.453 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.363 -7.990 -12.728 1.00 0.00 H new ATOM 249 N GLU A 15 0.217 -6.609 -14.290 1.00 0.00 N ATOM 250 CA GLU A 15 0.962 -5.427 -14.706 1.00 0.00 C ATOM 251 C GLU A 15 0.667 -4.247 -13.785 1.00 0.00 C ATOM 252 O GLU A 15 1.553 -3.449 -13.479 1.00 0.00 O ATOM 253 CB GLU A 15 0.617 -5.065 -16.153 1.00 0.00 C ATOM 254 CG GLU A 15 1.770 -5.267 -17.122 1.00 0.00 C ATOM 255 CD GLU A 15 2.085 -6.731 -17.356 1.00 0.00 C ATOM 256 OE1 GLU A 15 2.633 -7.375 -16.436 1.00 0.00 O ATOM 257 OE2 GLU A 15 1.783 -7.235 -18.458 1.00 0.00 O ATOM 0 H GLU A 15 -0.502 -6.908 -14.949 1.00 0.00 H new ATOM 0 HA GLU A 15 2.026 -5.655 -14.642 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.230 -5.669 -16.478 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.299 -4.023 -16.192 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.527 -4.795 -18.074 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.657 -4.766 -16.735 1.00 0.00 H new ATOM 264 N ASP A 16 -0.584 -4.143 -13.347 1.00 0.00 N ATOM 265 CA ASP A 16 -0.997 -3.061 -12.462 1.00 0.00 C ATOM 266 C ASP A 16 -0.967 -3.510 -11.004 1.00 0.00 C ATOM 267 O ASP A 16 -1.922 -3.296 -10.257 1.00 0.00 O ATOM 268 CB ASP A 16 -2.400 -2.579 -12.834 1.00 0.00 C ATOM 269 CG ASP A 16 -2.552 -1.077 -12.695 1.00 0.00 C ATOM 270 OD1 ASP A 16 -2.366 -0.563 -11.572 1.00 0.00 O ATOM 271 OD2 ASP A 16 -2.855 -0.414 -13.709 1.00 0.00 O ATOM 0 H ASP A 16 -1.329 -4.796 -13.591 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.295 -2.236 -12.582 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.621 -2.870 -13.861 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.132 -3.076 -12.198 1.00 0.00 H new ATOM 276 N GLU A 17 0.137 -4.134 -10.605 1.00 0.00 N ATOM 277 CA GLU A 17 0.291 -4.613 -9.236 1.00 0.00 C ATOM 278 C GLU A 17 1.712 -4.378 -8.734 1.00 0.00 C ATOM 279 O GLU A 17 2.682 -4.789 -9.371 1.00 0.00 O ATOM 280 CB GLU A 17 -0.052 -6.101 -9.153 1.00 0.00 C ATOM 281 CG GLU A 17 -1.546 -6.380 -9.125 1.00 0.00 C ATOM 282 CD GLU A 17 -1.861 -7.846 -8.897 1.00 0.00 C ATOM 283 OE1 GLU A 17 -1.129 -8.701 -9.438 1.00 0.00 O ATOM 284 OE2 GLU A 17 -2.840 -8.138 -8.179 1.00 0.00 O ATOM 0 H GLU A 17 0.937 -4.320 -11.210 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.396 -4.053 -8.602 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.389 -6.615 -10.007 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.405 -6.521 -8.257 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.008 -5.786 -8.337 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.990 -6.059 -10.068 1.00 0.00 H new ATOM 291 N LEU A 18 1.827 -3.715 -7.588 1.00 0.00 N ATOM 292 CA LEU A 18 3.130 -3.425 -7.000 1.00 0.00 C ATOM 293 C LEU A 18 3.478 -4.445 -5.920 1.00 0.00 C ATOM 294 O LEU A 18 2.610 -5.170 -5.434 1.00 0.00 O ATOM 295 CB LEU A 18 3.145 -2.013 -6.409 1.00 0.00 C ATOM 296 CG LEU A 18 4.472 -1.263 -6.560 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.309 -0.063 -7.480 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.997 -0.825 -5.200 1.00 0.00 C ATOM 0 H LEU A 18 1.034 -3.368 -7.048 1.00 0.00 H new ATOM 0 HA LEU A 18 3.879 -3.488 -7.789 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.358 -1.428 -6.885 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.899 -2.076 -5.349 1.00 0.00 H new ATOM 0 HG LEU A 18 5.198 -1.941 -7.007 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.263 0.456 -7.574 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.981 -0.400 -8.463 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.566 0.617 -7.063 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.940 -0.294 -5.328 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.271 -0.165 -4.725 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.156 -1.702 -4.572 1.00 0.00 H new ATOM 310 N GLU A 19 4.753 -4.496 -5.550 1.00 0.00 N ATOM 311 CA GLU A 19 5.215 -5.428 -4.528 1.00 0.00 C ATOM 312 C GLU A 19 5.228 -4.767 -3.154 1.00 0.00 C ATOM 313 O GLU A 19 6.080 -3.926 -2.866 1.00 0.00 O ATOM 314 CB GLU A 19 6.614 -5.942 -4.874 1.00 0.00 C ATOM 315 CG GLU A 19 7.032 -7.158 -4.064 1.00 0.00 C ATOM 316 CD GLU A 19 8.303 -7.798 -4.588 1.00 0.00 C ATOM 317 OE1 GLU A 19 8.638 -7.573 -5.770 1.00 0.00 O ATOM 318 OE2 GLU A 19 8.963 -8.525 -3.816 1.00 0.00 O ATOM 0 H GLU A 19 5.485 -3.903 -5.942 1.00 0.00 H new ATOM 0 HA GLU A 19 4.523 -6.269 -4.498 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.648 -6.193 -5.934 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.336 -5.142 -4.712 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.179 -6.865 -3.025 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.227 -7.893 -4.077 1.00 0.00 H new ATOM 325 N LEU A 20 4.279 -5.155 -2.308 1.00 0.00 N ATOM 326 CA LEU A 20 4.181 -4.603 -0.962 1.00 0.00 C ATOM 327 C LEU A 20 5.027 -5.408 0.018 1.00 0.00 C ATOM 328 O LEU A 20 4.558 -6.385 0.602 1.00 0.00 O ATOM 329 CB LEU A 20 2.724 -4.586 -0.499 1.00 0.00 C ATOM 330 CG LEU A 20 1.826 -3.580 -1.220 1.00 0.00 C ATOM 331 CD1 LEU A 20 0.406 -4.114 -1.327 1.00 0.00 C ATOM 332 CD2 LEU A 20 1.842 -2.242 -0.498 1.00 0.00 C ATOM 0 H LEU A 20 3.567 -5.850 -2.531 1.00 0.00 H new ATOM 0 HA LEU A 20 4.559 -3.581 -0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.305 -5.584 -0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.701 -4.370 0.569 1.00 0.00 H new ATOM 0 HG LEU A 20 2.213 -3.432 -2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.219 -3.385 -1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.410 -5.049 -1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.008 -4.291 -0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.198 -1.537 -1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.479 -2.374 0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.860 -1.854 -0.473 1.00 0.00 H new ATOM 344 N LYS A 21 6.275 -4.990 0.197 1.00 0.00 N ATOM 345 CA LYS A 21 7.186 -5.672 1.108 1.00 0.00 C ATOM 346 C LYS A 21 6.906 -5.271 2.553 1.00 0.00 C ATOM 347 O LYS A 21 6.630 -4.107 2.842 1.00 0.00 O ATOM 348 CB LYS A 21 8.638 -5.351 0.749 1.00 0.00 C ATOM 349 CG LYS A 21 9.163 -6.149 -0.433 1.00 0.00 C ATOM 350 CD LYS A 21 10.164 -5.345 -1.247 1.00 0.00 C ATOM 351 CE LYS A 21 10.707 -6.152 -2.416 1.00 0.00 C ATOM 352 NZ LYS A 21 11.283 -5.278 -3.476 1.00 0.00 N ATOM 0 H LYS A 21 6.679 -4.182 -0.277 1.00 0.00 H new ATOM 0 HA LYS A 21 7.025 -6.745 1.008 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.721 -4.288 0.525 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.269 -5.544 1.616 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.635 -7.064 -0.075 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.331 -6.448 -1.070 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.687 -4.438 -1.620 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.988 -5.031 -0.606 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.473 -6.840 -2.057 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.907 -6.759 -2.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.642 -5.867 -4.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.546 -4.638 -3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.063 -4.718 -3.078 1.00 0.00 H new ATOM 366 N VAL A 22 6.979 -6.242 3.457 1.00 0.00 N ATOM 367 CA VAL A 22 6.733 -5.988 4.870 1.00 0.00 C ATOM 368 C VAL A 22 7.707 -4.949 5.418 1.00 0.00 C ATOM 369 O VAL A 22 8.920 -5.070 5.247 1.00 0.00 O ATOM 370 CB VAL A 22 6.850 -7.282 5.701 1.00 0.00 C ATOM 371 CG1 VAL A 22 8.252 -7.864 5.596 1.00 0.00 C ATOM 372 CG2 VAL A 22 6.479 -7.022 7.154 1.00 0.00 C ATOM 0 H VAL A 22 7.206 -7.211 3.236 1.00 0.00 H new ATOM 0 HA VAL A 22 5.716 -5.605 4.953 1.00 0.00 H new ATOM 0 HB VAL A 22 6.149 -8.013 5.297 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.313 -8.776 6.190 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.473 -8.094 4.554 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.976 -7.139 5.969 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.568 -7.947 7.723 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.151 -6.272 7.572 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.452 -6.660 7.208 1.00 0.00 H new ATOM 382 N GLY A 23 7.167 -3.929 6.077 1.00 0.00 N ATOM 383 CA GLY A 23 8.004 -2.885 6.639 1.00 0.00 C ATOM 384 C GLY A 23 8.127 -1.672 5.734 1.00 0.00 C ATOM 385 O GLY A 23 8.717 -0.663 6.120 1.00 0.00 O ATOM 0 H GLY A 23 6.166 -3.807 6.232 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.593 -2.575 7.599 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.998 -3.289 6.833 1.00 0.00 H new ATOM 389 N ASP A 24 7.572 -1.764 4.527 1.00 0.00 N ATOM 390 CA ASP A 24 7.632 -0.659 3.576 1.00 0.00 C ATOM 391 C ASP A 24 6.391 0.221 3.682 1.00 0.00 C ATOM 392 O ASP A 24 5.263 -0.267 3.601 1.00 0.00 O ATOM 393 CB ASP A 24 7.773 -1.192 2.148 1.00 0.00 C ATOM 394 CG ASP A 24 9.213 -1.493 1.781 1.00 0.00 C ATOM 395 OD1 ASP A 24 10.120 -1.029 2.503 1.00 0.00 O ATOM 396 OD2 ASP A 24 9.434 -2.193 0.771 1.00 0.00 O ATOM 0 H ASP A 24 7.078 -2.589 4.187 1.00 0.00 H new ATOM 0 HA ASP A 24 8.506 -0.054 3.818 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.177 -2.098 2.041 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.368 -0.460 1.449 1.00 0.00 H new ATOM 401 N ILE A 25 6.606 1.520 3.863 1.00 0.00 N ATOM 402 CA ILE A 25 5.504 2.468 3.979 1.00 0.00 C ATOM 403 C ILE A 25 5.237 3.165 2.647 1.00 0.00 C ATOM 404 O ILE A 25 6.148 3.720 2.033 1.00 0.00 O ATOM 405 CB ILE A 25 5.784 3.529 5.064 1.00 0.00 C ATOM 406 CG1 ILE A 25 4.513 4.321 5.376 1.00 0.00 C ATOM 407 CG2 ILE A 25 6.902 4.465 4.627 1.00 0.00 C ATOM 408 CD1 ILE A 25 4.672 5.290 6.527 1.00 0.00 C ATOM 0 H ILE A 25 7.533 1.940 3.932 1.00 0.00 H new ATOM 0 HA ILE A 25 4.622 1.896 4.267 1.00 0.00 H new ATOM 0 HB ILE A 25 6.104 3.016 5.971 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.211 4.873 4.486 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.708 3.624 5.607 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.083 5.205 5.407 1.00 0.00 H new ATOM 0 HG22 ILE A 25 7.812 3.890 4.455 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.613 4.972 3.706 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.732 5.817 6.692 1.00 0.00 H new ATOM 0 HD12 ILE A 25 4.944 4.742 7.429 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.455 6.011 6.290 1.00 0.00 H new ATOM 420 N ILE A 26 3.984 3.131 2.208 1.00 0.00 N ATOM 421 CA ILE A 26 3.599 3.760 0.950 1.00 0.00 C ATOM 422 C ILE A 26 2.531 4.825 1.173 1.00 0.00 C ATOM 423 O ILE A 26 1.600 4.630 1.954 1.00 0.00 O ATOM 424 CB ILE A 26 3.071 2.722 -0.059 1.00 0.00 C ATOM 425 CG1 ILE A 26 4.048 1.550 -0.177 1.00 0.00 C ATOM 426 CG2 ILE A 26 2.845 3.369 -1.417 1.00 0.00 C ATOM 427 CD1 ILE A 26 3.418 0.295 -0.740 1.00 0.00 C ATOM 0 H ILE A 26 3.218 2.675 2.704 1.00 0.00 H new ATOM 0 HA ILE A 26 4.495 4.228 0.543 1.00 0.00 H new ATOM 0 HB ILE A 26 2.116 2.340 0.302 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.882 1.845 -0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.460 1.330 0.808 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.472 2.622 -2.118 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.115 4.173 -1.320 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.786 3.776 -1.787 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.167 -0.495 -0.796 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.602 -0.024 -0.092 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.031 0.499 -1.738 1.00 0.00 H new ATOM 439 N ASP A 27 2.672 5.951 0.481 1.00 0.00 N ATOM 440 CA ASP A 27 1.719 7.047 0.604 1.00 0.00 C ATOM 441 C ASP A 27 0.495 6.804 -0.272 1.00 0.00 C ATOM 442 O ASP A 27 0.605 6.689 -1.493 1.00 0.00 O ATOM 443 CB ASP A 27 2.382 8.371 0.221 1.00 0.00 C ATOM 444 CG ASP A 27 3.168 8.976 1.368 1.00 0.00 C ATOM 445 OD1 ASP A 27 4.208 8.396 1.746 1.00 0.00 O ATOM 446 OD2 ASP A 27 2.743 10.029 1.889 1.00 0.00 O ATOM 0 H ASP A 27 3.437 6.128 -0.170 1.00 0.00 H new ATOM 0 HA ASP A 27 1.394 7.099 1.643 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.048 8.209 -0.627 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.617 9.077 -0.104 1.00 0.00 H new ATOM 451 N ILE A 28 -0.672 6.728 0.359 1.00 0.00 N ATOM 452 CA ILE A 28 -1.919 6.501 -0.363 1.00 0.00 C ATOM 453 C ILE A 28 -2.440 7.797 -0.973 1.00 0.00 C ATOM 454 O ILE A 28 -2.458 8.839 -0.318 1.00 0.00 O ATOM 455 CB ILE A 28 -3.004 5.901 0.553 1.00 0.00 C ATOM 456 CG1 ILE A 28 -3.138 6.724 1.836 1.00 0.00 C ATOM 457 CG2 ILE A 28 -2.677 4.452 0.880 1.00 0.00 C ATOM 458 CD1 ILE A 28 -4.330 6.332 2.682 1.00 0.00 C ATOM 0 H ILE A 28 -0.780 6.820 1.369 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.699 5.789 -1.158 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.958 5.930 0.026 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.230 6.611 2.428 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.219 7.779 1.575 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.452 4.041 1.528 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.630 3.873 -0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.715 4.402 1.389 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.363 6.956 3.575 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.246 6.472 2.107 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.241 5.285 2.974 1.00 0.00 H new ATOM 470 N ASN A 29 -2.858 7.727 -2.232 1.00 0.00 N ATOM 471 CA ASN A 29 -3.373 8.899 -2.931 1.00 0.00 C ATOM 472 C ASN A 29 -4.899 8.936 -2.896 1.00 0.00 C ATOM 473 O ASN A 29 -5.496 9.976 -2.618 1.00 0.00 O ATOM 474 CB ASN A 29 -2.882 8.908 -4.380 1.00 0.00 C ATOM 475 CG ASN A 29 -2.235 10.225 -4.763 1.00 0.00 C ATOM 476 OD1 ASN A 29 -2.545 10.802 -5.805 1.00 0.00 O ATOM 477 ND2 ASN A 29 -1.331 10.708 -3.919 1.00 0.00 N ATOM 0 H ASN A 29 -2.850 6.872 -2.789 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.000 9.787 -2.420 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.165 8.099 -4.523 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.722 8.711 -5.047 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.863 11.591 -4.123 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.105 10.196 -3.066 1.00 0.00 H new ATOM 484 N GLU A 30 -5.525 7.799 -3.183 1.00 0.00 N ATOM 485 CA GLU A 30 -6.981 7.712 -3.185 1.00 0.00 C ATOM 486 C GLU A 30 -7.445 6.260 -3.235 1.00 0.00 C ATOM 487 O GLU A 30 -6.667 5.358 -3.544 1.00 0.00 O ATOM 488 CB GLU A 30 -7.556 8.486 -4.373 1.00 0.00 C ATOM 489 CG GLU A 30 -8.764 9.337 -4.017 1.00 0.00 C ATOM 490 CD GLU A 30 -8.621 10.776 -4.473 1.00 0.00 C ATOM 491 OE1 GLU A 30 -8.764 11.031 -5.687 1.00 0.00 O ATOM 492 OE2 GLU A 30 -8.367 11.648 -3.615 1.00 0.00 O ATOM 0 H GLU A 30 -5.049 6.928 -3.416 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.346 8.155 -2.258 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.779 9.128 -4.788 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.837 7.780 -5.154 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.655 8.903 -4.471 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.913 9.315 -2.937 1.00 0.00 H new ATOM 499 N GLU A 31 -8.720 6.043 -2.928 1.00 0.00 N ATOM 500 CA GLU A 31 -9.294 4.703 -2.937 1.00 0.00 C ATOM 501 C GLU A 31 -10.035 4.438 -4.244 1.00 0.00 C ATOM 502 O GLU A 31 -10.602 5.351 -4.844 1.00 0.00 O ATOM 503 CB GLU A 31 -10.246 4.526 -1.752 1.00 0.00 C ATOM 504 CG GLU A 31 -10.903 3.156 -1.694 1.00 0.00 C ATOM 505 CD GLU A 31 -12.334 3.175 -2.194 1.00 0.00 C ATOM 506 OE1 GLU A 31 -12.571 3.713 -3.296 1.00 0.00 O ATOM 507 OE2 GLU A 31 -13.218 2.651 -1.484 1.00 0.00 O ATOM 0 H GLU A 31 -9.376 6.780 -2.669 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.479 3.984 -2.850 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.695 4.694 -0.827 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.022 5.289 -1.804 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.322 2.453 -2.291 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.886 2.792 -0.667 1.00 0.00 H new ATOM 514 N VAL A 32 -10.027 3.182 -4.679 1.00 0.00 N ATOM 515 CA VAL A 32 -10.700 2.797 -5.914 1.00 0.00 C ATOM 516 C VAL A 32 -12.070 2.193 -5.627 1.00 0.00 C ATOM 517 O VAL A 32 -13.096 2.732 -6.041 1.00 0.00 O ATOM 518 CB VAL A 32 -9.863 1.783 -6.717 1.00 0.00 C ATOM 519 CG1 VAL A 32 -10.485 1.539 -8.083 1.00 0.00 C ATOM 520 CG2 VAL A 32 -8.427 2.266 -6.855 1.00 0.00 C ATOM 0 H VAL A 32 -9.562 2.414 -4.195 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.822 3.705 -6.505 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.853 0.838 -6.175 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.880 0.820 -8.635 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -11.493 1.144 -7.958 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.528 2.477 -8.636 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.851 1.537 -7.425 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.414 3.225 -7.374 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.986 2.383 -5.865 1.00 0.00 H new ATOM 530 N GLU A 33 -12.078 1.071 -4.916 1.00 0.00 N ATOM 531 CA GLU A 33 -13.323 0.393 -4.572 1.00 0.00 C ATOM 532 C GLU A 33 -13.219 -0.270 -3.202 1.00 0.00 C ATOM 533 O GLU A 33 -12.222 -0.109 -2.498 1.00 0.00 O ATOM 534 CB GLU A 33 -13.669 -0.653 -5.633 1.00 0.00 C ATOM 535 CG GLU A 33 -12.654 -1.781 -5.729 1.00 0.00 C ATOM 536 CD GLU A 33 -12.276 -2.105 -7.161 1.00 0.00 C ATOM 537 OE1 GLU A 33 -13.055 -2.811 -7.836 1.00 0.00 O ATOM 538 OE2 GLU A 33 -11.200 -1.654 -7.608 1.00 0.00 O ATOM 0 H GLU A 33 -11.237 0.612 -4.567 1.00 0.00 H new ATOM 0 HA GLU A 33 -14.117 1.139 -4.536 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -14.649 -1.075 -5.409 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.747 -0.162 -6.603 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.757 -1.506 -5.174 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.062 -2.673 -5.254 1.00 0.00 H new ATOM 545 N GLU A 34 -14.254 -1.016 -2.832 1.00 0.00 N ATOM 546 CA GLU A 34 -14.279 -1.704 -1.546 1.00 0.00 C ATOM 547 C GLU A 34 -13.562 -3.049 -1.635 1.00 0.00 C ATOM 548 O GLU A 34 -14.157 -4.099 -1.390 1.00 0.00 O ATOM 549 CB GLU A 34 -15.723 -1.909 -1.083 1.00 0.00 C ATOM 550 CG GLU A 34 -16.426 -0.618 -0.696 1.00 0.00 C ATOM 551 CD GLU A 34 -17.450 -0.180 -1.725 1.00 0.00 C ATOM 552 OE1 GLU A 34 -18.029 -1.058 -2.398 1.00 0.00 O ATOM 553 OE2 GLU A 34 -17.674 1.042 -1.857 1.00 0.00 O ATOM 0 H GLU A 34 -15.086 -1.160 -3.404 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.757 -1.083 -0.818 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -16.286 -2.395 -1.880 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.729 -2.587 -0.229 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -16.919 -0.752 0.267 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -15.685 0.171 -0.568 1.00 0.00 H new ATOM 560 N GLY A 35 -12.281 -3.009 -1.988 1.00 0.00 N ATOM 561 CA GLY A 35 -11.507 -4.231 -2.102 1.00 0.00 C ATOM 562 C GLY A 35 -10.057 -3.969 -2.459 1.00 0.00 C ATOM 563 O GLY A 35 -9.153 -4.611 -1.923 1.00 0.00 O ATOM 0 H GLY A 35 -11.766 -2.154 -2.197 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.553 -4.776 -1.159 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.955 -4.871 -2.862 1.00 0.00 H new ATOM 567 N TRP A 36 -9.832 -3.026 -3.369 1.00 0.00 N ATOM 568 CA TRP A 36 -8.481 -2.684 -3.798 1.00 0.00 C ATOM 569 C TRP A 36 -8.228 -1.185 -3.668 1.00 0.00 C ATOM 570 O TRP A 36 -9.047 -0.368 -4.089 1.00 0.00 O ATOM 571 CB TRP A 36 -8.255 -3.126 -5.245 1.00 0.00 C ATOM 572 CG TRP A 36 -8.636 -4.553 -5.497 1.00 0.00 C ATOM 573 CD1 TRP A 36 -9.900 -5.061 -5.587 1.00 0.00 C ATOM 574 CD2 TRP A 36 -7.745 -5.657 -5.691 1.00 0.00 C ATOM 575 NE1 TRP A 36 -9.850 -6.413 -5.826 1.00 0.00 N ATOM 576 CE2 TRP A 36 -8.538 -6.803 -5.894 1.00 0.00 C ATOM 577 CE3 TRP A 36 -6.353 -5.788 -5.714 1.00 0.00 C ATOM 578 CZ2 TRP A 36 -7.985 -8.061 -6.116 1.00 0.00 C ATOM 579 CZ3 TRP A 36 -5.806 -7.038 -5.935 1.00 0.00 C ATOM 580 CH2 TRP A 36 -6.620 -8.160 -6.134 1.00 0.00 C ATOM 0 H TRP A 36 -10.568 -2.485 -3.823 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.780 -3.209 -3.150 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -8.831 -2.481 -5.908 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.204 -2.988 -5.500 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -10.807 -4.484 -5.485 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -10.658 -7.026 -5.935 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.717 -4.928 -5.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -8.611 -8.928 -6.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.732 -7.151 -5.955 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.161 -9.123 -6.305 1.00 0.00 H new ATOM 591 N TRP A 37 -7.089 -0.832 -3.081 1.00 0.00 N ATOM 592 CA TRP A 37 -6.725 0.569 -2.895 1.00 0.00 C ATOM 593 C TRP A 37 -5.511 0.932 -3.746 1.00 0.00 C ATOM 594 O TRP A 37 -4.774 0.056 -4.198 1.00 0.00 O ATOM 595 CB TRP A 37 -6.432 0.850 -1.420 1.00 0.00 C ATOM 596 CG TRP A 37 -7.666 1.078 -0.601 1.00 0.00 C ATOM 597 CD1 TRP A 37 -8.884 0.486 -0.772 1.00 0.00 C ATOM 598 CD2 TRP A 37 -7.803 1.963 0.516 1.00 0.00 C ATOM 599 NE1 TRP A 37 -9.770 0.948 0.171 1.00 0.00 N ATOM 600 CE2 TRP A 37 -9.130 1.856 0.974 1.00 0.00 C ATOM 601 CE3 TRP A 37 -6.932 2.835 1.176 1.00 0.00 C ATOM 602 CZ2 TRP A 37 -9.605 2.587 2.059 1.00 0.00 C ATOM 603 CZ3 TRP A 37 -7.405 3.561 2.253 1.00 0.00 C ATOM 604 CH2 TRP A 37 -8.731 3.433 2.686 1.00 0.00 C ATOM 0 H TRP A 37 -6.402 -1.497 -2.726 1.00 0.00 H new ATOM 0 HA TRP A 37 -7.567 1.184 -3.214 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -5.877 0.011 -1.001 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -5.788 1.727 -1.346 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -9.117 -0.240 -1.537 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -10.745 0.662 0.259 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.908 2.940 0.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.627 2.490 2.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -6.741 4.238 2.769 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -9.070 4.013 3.531 1.00 0.00 H new ATOM 615 N SER A 38 -5.311 2.228 -3.962 1.00 0.00 N ATOM 616 CA SER A 38 -4.187 2.705 -4.762 1.00 0.00 C ATOM 617 C SER A 38 -3.155 3.410 -3.889 1.00 0.00 C ATOM 618 O SER A 38 -3.470 3.887 -2.799 1.00 0.00 O ATOM 619 CB SER A 38 -4.679 3.654 -5.856 1.00 0.00 C ATOM 620 OG SER A 38 -5.868 3.171 -6.455 1.00 0.00 O ATOM 0 H SER A 38 -5.911 2.966 -3.595 1.00 0.00 H new ATOM 0 HA SER A 38 -3.713 1.840 -5.226 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.858 4.642 -5.431 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.906 3.769 -6.616 1.00 0.00 H new ATOM 0 HG SER A 38 -6.162 3.797 -7.149 1.00 0.00 H new ATOM 626 N GLY A 39 -1.920 3.473 -4.377 1.00 0.00 N ATOM 627 CA GLY A 39 -0.858 4.122 -3.631 1.00 0.00 C ATOM 628 C GLY A 39 0.224 4.683 -4.532 1.00 0.00 C ATOM 629 O GLY A 39 0.220 4.447 -5.740 1.00 0.00 O ATOM 0 H GLY A 39 -1.636 3.086 -5.277 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.280 4.928 -3.030 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.415 3.406 -2.938 1.00 0.00 H new ATOM 633 N THR A 40 1.153 5.429 -3.943 1.00 0.00 N ATOM 634 CA THR A 40 2.248 6.026 -4.700 1.00 0.00 C ATOM 635 C THR A 40 3.544 5.997 -3.897 1.00 0.00 C ATOM 636 O THR A 40 3.532 6.149 -2.675 1.00 0.00 O ATOM 637 CB THR A 40 1.904 7.466 -5.083 1.00 0.00 C ATOM 638 OG1 THR A 40 0.676 7.518 -5.788 1.00 0.00 O ATOM 639 CG2 THR A 40 2.958 8.123 -5.947 1.00 0.00 C ATOM 0 H THR A 40 1.170 5.635 -2.944 1.00 0.00 H new ATOM 0 HA THR A 40 2.391 5.440 -5.608 1.00 0.00 H new ATOM 0 HB THR A 40 1.841 8.009 -4.140 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.473 8.447 -6.023 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.652 9.142 -6.182 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.907 8.144 -5.411 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.076 7.557 -6.871 1.00 0.00 H new ATOM 647 N LEU A 41 4.661 5.800 -4.590 1.00 0.00 N ATOM 648 CA LEU A 41 5.965 5.750 -3.939 1.00 0.00 C ATOM 649 C LEU A 41 7.048 6.336 -4.840 1.00 0.00 C ATOM 650 O LEU A 41 7.364 5.780 -5.891 1.00 0.00 O ATOM 651 CB LEU A 41 6.315 4.306 -3.565 1.00 0.00 C ATOM 652 CG LEU A 41 6.638 4.080 -2.087 1.00 0.00 C ATOM 653 CD1 LEU A 41 7.040 2.634 -1.844 1.00 0.00 C ATOM 654 CD2 LEU A 41 7.739 5.026 -1.633 1.00 0.00 C ATOM 0 H LEU A 41 4.689 5.672 -5.602 1.00 0.00 H new ATOM 0 HA LEU A 41 5.915 6.350 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.480 3.663 -3.841 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.171 3.990 -4.161 1.00 0.00 H new ATOM 0 HG LEU A 41 5.742 4.289 -1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.266 2.492 -0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.221 1.975 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.922 2.397 -2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.957 4.852 -0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.638 4.848 -2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.413 6.057 -1.771 1.00 0.00 H new ATOM 666 N ASN A 42 7.613 7.464 -4.420 1.00 0.00 N ATOM 667 CA ASN A 42 8.661 8.128 -5.187 1.00 0.00 C ATOM 668 C ASN A 42 8.138 8.572 -6.552 1.00 0.00 C ATOM 669 O ASN A 42 7.747 9.726 -6.730 1.00 0.00 O ATOM 670 CB ASN A 42 9.867 7.198 -5.357 1.00 0.00 C ATOM 671 CG ASN A 42 10.992 7.530 -4.397 1.00 0.00 C ATOM 672 OD1 ASN A 42 12.131 7.751 -4.809 1.00 0.00 O ATOM 673 ND2 ASN A 42 10.679 7.566 -3.107 1.00 0.00 N ATOM 0 H ASN A 42 7.362 7.937 -3.552 1.00 0.00 H new ATOM 0 HA ASN A 42 8.976 9.015 -4.637 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.552 6.166 -5.200 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.234 7.267 -6.381 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.395 7.783 -2.414 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.722 7.376 -2.809 1.00 0.00 H new ATOM 680 N ASN A 43 8.131 7.652 -7.512 1.00 0.00 N ATOM 681 CA ASN A 43 7.653 7.956 -8.857 1.00 0.00 C ATOM 682 C ASN A 43 6.955 6.748 -9.483 1.00 0.00 C ATOM 683 O ASN A 43 6.754 6.701 -10.697 1.00 0.00 O ATOM 684 CB ASN A 43 8.817 8.406 -9.743 1.00 0.00 C ATOM 685 CG ASN A 43 8.814 9.903 -9.984 1.00 0.00 C ATOM 686 OD1 ASN A 43 8.176 10.660 -9.253 1.00 0.00 O ATOM 687 ND2 ASN A 43 9.530 10.338 -11.015 1.00 0.00 N ATOM 0 H ASN A 43 8.450 6.692 -7.384 1.00 0.00 H new ATOM 0 HA ASN A 43 6.927 8.765 -8.780 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.759 8.118 -9.276 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.764 7.886 -10.700 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.566 11.335 -11.227 1.00 0.00 H new ATOM 0 HD22 ASN A 43 10.044 9.675 -11.595 1.00 0.00 H new ATOM 694 N LYS A 44 6.585 5.776 -8.653 1.00 0.00 N ATOM 695 CA LYS A 44 5.909 4.577 -9.134 1.00 0.00 C ATOM 696 C LYS A 44 4.625 4.326 -8.350 1.00 0.00 C ATOM 697 O LYS A 44 4.633 4.302 -7.119 1.00 0.00 O ATOM 698 CB LYS A 44 6.835 3.363 -9.021 1.00 0.00 C ATOM 699 CG LYS A 44 7.410 3.163 -7.628 1.00 0.00 C ATOM 700 CD LYS A 44 8.913 3.397 -7.603 1.00 0.00 C ATOM 701 CE LYS A 44 9.682 2.098 -7.781 1.00 0.00 C ATOM 702 NZ LYS A 44 9.579 1.222 -6.581 1.00 0.00 N ATOM 0 H LYS A 44 6.742 5.796 -7.645 1.00 0.00 H new ATOM 0 HA LYS A 44 5.650 4.731 -10.182 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.284 2.468 -9.309 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.655 3.475 -9.731 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.923 3.846 -6.932 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.193 2.151 -7.286 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.187 4.095 -8.395 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.194 3.861 -6.658 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.300 1.566 -8.652 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.730 2.321 -7.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.357 0.532 -6.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.639 1.803 -5.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.669 0.718 -6.596 1.00 0.00 H new ATOM 716 N LEU A 45 3.524 4.138 -9.070 1.00 0.00 N ATOM 717 CA LEU A 45 2.233 3.887 -8.439 1.00 0.00 C ATOM 718 C LEU A 45 1.648 2.557 -8.904 1.00 0.00 C ATOM 719 O LEU A 45 1.707 2.220 -10.086 1.00 0.00 O ATOM 720 CB LEU A 45 1.258 5.025 -8.752 1.00 0.00 C ATOM 721 CG LEU A 45 0.842 5.140 -10.219 1.00 0.00 C ATOM 722 CD1 LEU A 45 -0.486 5.872 -10.342 1.00 0.00 C ATOM 723 CD2 LEU A 45 1.920 5.850 -11.024 1.00 0.00 C ATOM 0 H LEU A 45 3.500 4.155 -10.090 1.00 0.00 H new ATOM 0 HA LEU A 45 2.388 3.837 -7.361 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.362 4.891 -8.146 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.713 5.967 -8.445 1.00 0.00 H new ATOM 0 HG LEU A 45 0.718 4.135 -10.621 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.766 5.944 -11.393 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.255 5.324 -9.799 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.390 6.873 -9.923 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.607 5.923 -12.066 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.076 6.851 -10.621 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.851 5.286 -10.963 1.00 0.00 H new ATOM 735 N GLY A 46 1.085 1.805 -7.964 1.00 0.00 N ATOM 736 CA GLY A 46 0.497 0.520 -8.294 1.00 0.00 C ATOM 737 C GLY A 46 -0.730 0.215 -7.458 1.00 0.00 C ATOM 738 O GLY A 46 -0.978 0.870 -6.446 1.00 0.00 O ATOM 0 H GLY A 46 1.025 2.063 -6.979 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.226 0.508 -9.350 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.239 -0.265 -8.146 1.00 0.00 H new ATOM 742 N LEU A 47 -1.501 -0.782 -7.881 1.00 0.00 N ATOM 743 CA LEU A 47 -2.709 -1.171 -7.163 1.00 0.00 C ATOM 744 C LEU A 47 -2.534 -2.535 -6.502 1.00 0.00 C ATOM 745 O LEU A 47 -1.816 -3.396 -7.010 1.00 0.00 O ATOM 746 CB LEU A 47 -3.906 -1.198 -8.117 1.00 0.00 C ATOM 747 CG LEU A 47 -4.935 -0.086 -7.897 1.00 0.00 C ATOM 748 CD1 LEU A 47 -5.454 0.433 -9.229 1.00 0.00 C ATOM 749 CD2 LEU A 47 -6.084 -0.585 -7.029 1.00 0.00 C ATOM 0 H LEU A 47 -1.311 -1.335 -8.717 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.894 -0.433 -6.382 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.537 -1.133 -9.141 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.408 -2.161 -8.019 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.446 0.738 -7.377 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.184 1.223 -9.052 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.624 0.830 -9.813 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.926 -0.382 -9.778 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.806 0.219 -6.883 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.572 -1.426 -7.520 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.697 -0.905 -6.062 1.00 0.00 H new ATOM 761 N PHE A 48 -3.199 -2.726 -5.367 1.00 0.00 N ATOM 762 CA PHE A 48 -3.120 -3.986 -4.636 1.00 0.00 C ATOM 763 C PHE A 48 -4.213 -4.067 -3.573 1.00 0.00 C ATOM 764 O PHE A 48 -4.862 -3.068 -3.262 1.00 0.00 O ATOM 765 CB PHE A 48 -1.743 -4.151 -3.985 1.00 0.00 C ATOM 766 CG PHE A 48 -1.090 -2.853 -3.598 1.00 0.00 C ATOM 767 CD1 PHE A 48 -1.804 -1.876 -2.922 1.00 0.00 C ATOM 768 CD2 PHE A 48 0.238 -2.611 -3.912 1.00 0.00 C ATOM 769 CE1 PHE A 48 -1.205 -0.683 -2.565 1.00 0.00 C ATOM 770 CE2 PHE A 48 0.842 -1.420 -3.558 1.00 0.00 C ATOM 771 CZ PHE A 48 0.120 -0.454 -2.884 1.00 0.00 C ATOM 0 H PHE A 48 -3.799 -2.024 -4.933 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.268 -4.796 -5.350 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.845 -4.774 -3.096 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.088 -4.684 -4.674 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.840 -2.049 -2.671 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.807 -3.362 -4.439 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.772 0.070 -2.037 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.878 -1.244 -3.808 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.590 0.478 -2.607 1.00 0.00 H new ATOM 781 N PRO A 49 -4.434 -5.264 -3.002 1.00 0.00 N ATOM 782 CA PRO A 49 -5.457 -5.470 -1.971 1.00 0.00 C ATOM 783 C PRO A 49 -5.248 -4.570 -0.758 1.00 0.00 C ATOM 784 O PRO A 49 -4.206 -4.622 -0.105 1.00 0.00 O ATOM 785 CB PRO A 49 -5.286 -6.942 -1.578 1.00 0.00 C ATOM 786 CG PRO A 49 -4.593 -7.573 -2.736 1.00 0.00 C ATOM 787 CD PRO A 49 -3.709 -6.507 -3.318 1.00 0.00 C ATOM 0 HA PRO A 49 -6.454 -5.228 -2.339 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.699 -7.041 -0.665 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.250 -7.415 -1.390 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.007 -8.435 -2.418 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.311 -7.930 -3.474 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.715 -6.519 -2.871 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.577 -6.635 -4.392 1.00 0.00 H new ATOM 795 N SER A 50 -6.248 -3.746 -0.464 1.00 0.00 N ATOM 796 CA SER A 50 -6.181 -2.831 0.671 1.00 0.00 C ATOM 797 C SER A 50 -6.135 -3.592 1.994 1.00 0.00 C ATOM 798 O SER A 50 -5.725 -3.046 3.019 1.00 0.00 O ATOM 799 CB SER A 50 -7.381 -1.883 0.656 1.00 0.00 C ATOM 800 OG SER A 50 -8.523 -2.497 1.229 1.00 0.00 O ATOM 0 H SER A 50 -7.116 -3.693 -0.997 1.00 0.00 H new ATOM 0 HA SER A 50 -5.263 -2.251 0.580 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.138 -0.974 1.207 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.600 -1.585 -0.369 1.00 0.00 H new ATOM 0 HG SER A 50 -9.276 -1.870 1.209 1.00 0.00 H new ATOM 806 N ASN A 51 -6.564 -4.851 1.970 1.00 0.00 N ATOM 807 CA ASN A 51 -6.576 -5.677 3.172 1.00 0.00 C ATOM 808 C ASN A 51 -5.165 -5.880 3.719 1.00 0.00 C ATOM 809 O ASN A 51 -4.987 -6.171 4.902 1.00 0.00 O ATOM 810 CB ASN A 51 -7.221 -7.033 2.875 1.00 0.00 C ATOM 811 CG ASN A 51 -8.692 -7.064 3.238 1.00 0.00 C ATOM 812 OD1 ASN A 51 -9.065 -6.827 4.387 1.00 0.00 O ATOM 813 ND2 ASN A 51 -9.538 -7.357 2.257 1.00 0.00 N ATOM 0 H ASN A 51 -6.907 -5.320 1.132 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.163 -5.157 3.930 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.106 -7.263 1.816 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -6.696 -7.811 3.429 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.541 -7.392 2.442 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.185 -7.547 1.319 1.00 0.00 H new ATOM 820 N PHE A 52 -4.164 -5.726 2.858 1.00 0.00 N ATOM 821 CA PHE A 52 -2.775 -5.895 3.269 1.00 0.00 C ATOM 822 C PHE A 52 -2.287 -4.675 4.052 1.00 0.00 C ATOM 823 O PHE A 52 -2.358 -4.660 5.279 1.00 0.00 O ATOM 824 CB PHE A 52 -1.883 -6.139 2.048 1.00 0.00 C ATOM 825 CG PHE A 52 -2.016 -7.520 1.473 1.00 0.00 C ATOM 826 CD1 PHE A 52 -3.253 -8.007 1.083 1.00 0.00 C ATOM 827 CD2 PHE A 52 -0.902 -8.330 1.322 1.00 0.00 C ATOM 828 CE1 PHE A 52 -3.377 -9.277 0.553 1.00 0.00 C ATOM 829 CE2 PHE A 52 -1.020 -9.601 0.792 1.00 0.00 C ATOM 830 CZ PHE A 52 -2.259 -10.075 0.407 1.00 0.00 C ATOM 0 H PHE A 52 -4.288 -5.485 1.875 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.716 -6.765 3.923 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.128 -5.408 1.277 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.843 -5.970 2.328 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.130 -7.387 1.194 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.069 -7.964 1.622 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.347 -9.645 0.253 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.144 -10.223 0.679 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.353 -11.068 -0.007 1.00 0.00 H new ATOM 840 N VAL A 53 -1.791 -3.664 3.324 1.00 0.00 N ATOM 841 CA VAL A 53 -1.282 -2.411 3.909 1.00 0.00 C ATOM 842 C VAL A 53 -1.726 -2.190 5.355 1.00 0.00 C ATOM 843 O VAL A 53 -2.845 -2.538 5.733 1.00 0.00 O ATOM 844 CB VAL A 53 -1.713 -1.195 3.070 1.00 0.00 C ATOM 845 CG1 VAL A 53 -0.931 -1.141 1.767 1.00 0.00 C ATOM 846 CG2 VAL A 53 -3.210 -1.237 2.802 1.00 0.00 C ATOM 0 H VAL A 53 -1.731 -3.691 2.306 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.197 -2.511 3.905 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.493 -0.289 3.635 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.249 -0.275 1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.134 -1.060 1.985 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.116 -2.049 1.194 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.498 -0.370 2.208 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.457 -2.148 2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.750 -1.223 3.749 1.00 0.00 H new ATOM 856 N LYS A 54 -0.852 -1.585 6.155 1.00 0.00 N ATOM 857 CA LYS A 54 -1.173 -1.307 7.549 1.00 0.00 C ATOM 858 C LYS A 54 -0.951 0.162 7.893 1.00 0.00 C ATOM 859 O LYS A 54 0.132 0.704 7.684 1.00 0.00 O ATOM 860 CB LYS A 54 -0.353 -2.194 8.487 1.00 0.00 C ATOM 861 CG LYS A 54 -1.129 -2.663 9.706 1.00 0.00 C ATOM 862 CD LYS A 54 -0.237 -2.754 10.934 1.00 0.00 C ATOM 863 CE LYS A 54 -1.052 -2.966 12.200 1.00 0.00 C ATOM 864 NZ LYS A 54 -0.461 -2.255 13.367 1.00 0.00 N ATOM 0 H LYS A 54 0.077 -1.280 5.863 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.230 -1.533 7.687 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.002 -3.064 7.934 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.529 -1.644 8.816 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.951 -1.974 9.902 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.572 -3.638 9.504 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.469 -3.576 10.812 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.350 -1.841 11.027 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.071 -2.614 12.039 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.114 -4.032 12.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.046 -2.425 14.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.502 -2.608 13.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.426 -1.234 13.170 1.00 0.00 H new ATOM 878 N GLU A 55 -1.988 0.799 8.429 1.00 0.00 N ATOM 879 CA GLU A 55 -1.913 2.205 8.810 1.00 0.00 C ATOM 880 C GLU A 55 -1.168 2.373 10.131 1.00 0.00 C ATOM 881 O GLU A 55 -1.386 1.616 11.077 1.00 0.00 O ATOM 882 CB GLU A 55 -3.319 2.797 8.927 1.00 0.00 C ATOM 883 CG GLU A 55 -3.363 4.305 8.739 1.00 0.00 C ATOM 884 CD GLU A 55 -4.580 4.758 7.957 1.00 0.00 C ATOM 885 OE1 GLU A 55 -4.834 4.191 6.873 1.00 0.00 O ATOM 886 OE2 GLU A 55 -5.279 5.681 8.427 1.00 0.00 O ATOM 0 H GLU A 55 -2.892 0.362 8.609 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.363 2.737 8.034 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.964 2.328 8.184 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.728 2.549 9.907 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.362 4.790 9.715 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.461 4.630 8.221 1.00 0.00 H new ATOM 893 N LEU A 56 -0.289 3.368 10.188 1.00 0.00 N ATOM 894 CA LEU A 56 0.488 3.632 11.395 1.00 0.00 C ATOM 895 C LEU A 56 -0.260 4.576 12.331 1.00 0.00 C ATOM 896 O LEU A 56 -0.229 5.794 12.157 1.00 0.00 O ATOM 897 CB LEU A 56 1.849 4.229 11.031 1.00 0.00 C ATOM 898 CG LEU A 56 1.796 5.474 10.141 1.00 0.00 C ATOM 899 CD1 LEU A 56 2.784 6.523 10.630 1.00 0.00 C ATOM 900 CD2 LEU A 56 2.079 5.107 8.691 1.00 0.00 C ATOM 0 H LEU A 56 -0.097 4.004 9.414 1.00 0.00 H new ATOM 0 HA LEU A 56 0.640 2.684 11.911 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.375 4.482 11.951 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.440 3.465 10.526 1.00 0.00 H new ATOM 0 HG LEU A 56 0.792 5.895 10.199 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.732 7.400 9.985 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.535 6.809 11.652 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.793 6.113 10.603 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.037 6.004 8.074 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.071 4.661 8.616 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.332 4.393 8.344 1.00 0.00 H new