USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 617 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 17 ASN : amide:sc= -0.684 K(o=-0.1,f=-8.1!) USER MOD Set 1.2: A 34 TYR OH : rot 96:sc= 0.58 USER MOD Single : A 11 GLN : amide:sc= -0.0572 X(o=-0.057,f=-0.057) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 155:sc= -0.0376 (180deg=-0.297) USER MOD Single : A 28 TYR OH : rot -165:sc= -0.755 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -64:sc= 0.411 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.124 K(o=-0.12,f=-0.66) USER MOD Single : A 65 ASN : amide:sc= -0.831 K(o=-0.83,f=-3!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.884 6.560 -13.583 1.00 0.00 N ATOM 60 CA GLY A 7 5.438 6.479 -13.699 1.00 0.00 C ATOM 61 C GLY A 7 4.785 6.329 -12.323 1.00 0.00 C ATOM 62 O GLY A 7 5.066 5.374 -11.600 1.00 0.00 O ATOM 0 HA2 GLY A 7 5.058 7.375 -14.190 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.167 5.631 -14.328 1.00 0.00 H new ATOM 66 N LEU A 8 3.927 7.286 -12.004 1.00 0.00 N ATOM 67 CA LEU A 8 3.232 7.272 -10.728 1.00 0.00 C ATOM 68 C LEU A 8 2.810 5.839 -10.397 1.00 0.00 C ATOM 69 O LEU A 8 3.365 5.219 -9.491 1.00 0.00 O ATOM 70 CB LEU A 8 2.070 8.268 -10.739 1.00 0.00 C ATOM 71 CG LEU A 8 2.444 9.737 -10.533 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.205 10.633 -10.601 1.00 0.00 C ATOM 73 CD2 LEU A 8 3.219 9.928 -9.228 1.00 0.00 C ATOM 0 H LEU A 8 3.697 8.076 -12.607 1.00 0.00 H new ATOM 0 HA LEU A 8 3.897 7.602 -9.929 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.548 8.177 -11.692 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.364 7.981 -9.960 1.00 0.00 H new ATOM 0 HG LEU A 8 3.104 10.039 -11.346 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.499 11.672 -10.451 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.732 10.527 -11.577 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.501 10.339 -9.823 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.472 10.981 -9.106 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.604 9.603 -8.389 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.134 9.336 -9.258 1.00 0.00 H new ATOM 85 N ARG A 9 1.833 5.355 -11.149 1.00 0.00 N ATOM 86 CA ARG A 9 1.331 4.007 -10.947 1.00 0.00 C ATOM 87 C ARG A 9 2.489 3.044 -10.675 1.00 0.00 C ATOM 88 O ARG A 9 2.384 2.168 -9.818 1.00 0.00 O ATOM 89 CB ARG A 9 0.549 3.521 -12.169 1.00 0.00 C ATOM 90 CG ARG A 9 -0.720 2.778 -11.748 1.00 0.00 C ATOM 91 CD ARG A 9 -0.575 1.272 -11.977 1.00 0.00 C ATOM 92 NE ARG A 9 -0.711 0.964 -13.419 1.00 0.00 N ATOM 93 CZ ARG A 9 -1.863 1.037 -14.098 1.00 0.00 C ATOM 94 NH1 ARG A 9 -2.988 1.409 -13.471 1.00 0.00 N ATOM 95 NH2 ARG A 9 -1.892 0.739 -15.404 1.00 0.00 N ATOM 0 H ARG A 9 1.375 5.873 -11.899 1.00 0.00 H new ATOM 0 HA ARG A 9 0.662 4.028 -10.087 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.285 4.371 -12.798 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.178 2.863 -12.769 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.927 2.971 -10.695 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.571 3.155 -12.314 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.395 0.932 -11.614 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.334 0.735 -11.409 1.00 0.00 H new ATOM 0 HE ARG A 9 0.126 0.678 -13.927 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.966 1.636 -12.477 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.865 1.465 -13.988 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.036 0.456 -15.882 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.770 0.795 -15.920 1.00 0.00 H new ATOM 109 N GLU A 10 3.566 3.240 -11.421 1.00 0.00 N ATOM 110 CA GLU A 10 4.742 2.400 -11.271 1.00 0.00 C ATOM 111 C GLU A 10 5.381 2.620 -9.898 1.00 0.00 C ATOM 112 O GLU A 10 5.759 1.663 -9.225 1.00 0.00 O ATOM 113 CB GLU A 10 5.750 2.662 -12.393 1.00 0.00 C ATOM 114 CG GLU A 10 5.816 1.477 -13.358 1.00 0.00 C ATOM 115 CD GLU A 10 7.263 1.171 -13.752 1.00 0.00 C ATOM 116 OE1 GLU A 10 7.882 2.062 -14.374 1.00 0.00 O ATOM 117 OE2 GLU A 10 7.717 0.054 -13.423 1.00 0.00 O ATOM 0 H GLU A 10 3.649 3.968 -12.131 1.00 0.00 H new ATOM 0 HA GLU A 10 4.431 1.358 -11.342 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.468 3.563 -12.937 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.736 2.843 -11.966 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.369 0.599 -12.892 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.231 1.697 -14.251 1.00 0.00 H new ATOM 124 N GLN A 11 5.481 3.887 -9.524 1.00 0.00 N ATOM 125 CA GLN A 11 6.067 4.245 -8.244 1.00 0.00 C ATOM 126 C GLN A 11 5.372 3.487 -7.111 1.00 0.00 C ATOM 127 O GLN A 11 6.012 2.728 -6.384 1.00 0.00 O ATOM 128 CB GLN A 11 5.999 5.757 -8.013 1.00 0.00 C ATOM 129 CG GLN A 11 7.202 6.462 -8.644 1.00 0.00 C ATOM 130 CD GLN A 11 7.560 7.732 -7.870 1.00 0.00 C ATOM 131 OE1 GLN A 11 8.191 7.698 -6.827 1.00 0.00 O ATOM 132 NE2 GLN A 11 7.123 8.853 -8.439 1.00 0.00 N ATOM 0 H GLN A 11 5.166 4.678 -10.085 1.00 0.00 H new ATOM 0 HA GLN A 11 7.119 3.959 -8.256 1.00 0.00 H new ATOM 0 HB2 GLN A 11 5.077 6.153 -8.438 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.971 5.964 -6.943 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.058 5.787 -8.658 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.978 6.714 -9.680 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.600 8.811 -9.314 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.311 9.754 -8.000 1.00 0.00 H new ATOM 141 N VAL A 12 4.073 3.717 -6.997 1.00 0.00 N ATOM 142 CA VAL A 12 3.284 3.065 -5.966 1.00 0.00 C ATOM 143 C VAL A 12 3.414 1.548 -6.113 1.00 0.00 C ATOM 144 O VAL A 12 3.732 0.852 -5.150 1.00 0.00 O ATOM 145 CB VAL A 12 1.834 3.550 -6.030 1.00 0.00 C ATOM 146 CG1 VAL A 12 1.028 3.027 -4.839 1.00 0.00 C ATOM 147 CG2 VAL A 12 1.770 5.076 -6.108 1.00 0.00 C ATOM 0 H VAL A 12 3.546 4.347 -7.602 1.00 0.00 H new ATOM 0 HA VAL A 12 3.657 3.329 -4.976 1.00 0.00 H new ATOM 0 HB VAL A 12 1.386 3.149 -6.939 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.001 3.386 -4.909 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.032 1.937 -4.847 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.475 3.385 -3.912 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.729 5.395 -6.153 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.244 5.506 -5.225 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.292 5.417 -7.002 1.00 0.00 H new ATOM 157 N GLN A 13 3.163 1.080 -7.327 1.00 0.00 N ATOM 158 CA GLN A 13 3.248 -0.342 -7.613 1.00 0.00 C ATOM 159 C GLN A 13 4.552 -0.918 -7.057 1.00 0.00 C ATOM 160 O GLN A 13 4.611 -2.092 -6.694 1.00 0.00 O ATOM 161 CB GLN A 13 3.128 -0.607 -9.115 1.00 0.00 C ATOM 162 CG GLN A 13 1.671 -0.853 -9.514 1.00 0.00 C ATOM 163 CD GLN A 13 1.531 -2.155 -10.305 1.00 0.00 C ATOM 164 OE1 GLN A 13 1.047 -3.161 -9.814 1.00 0.00 O ATOM 165 NE2 GLN A 13 1.981 -2.080 -11.555 1.00 0.00 N ATOM 0 H GLN A 13 2.901 1.660 -8.124 1.00 0.00 H new ATOM 0 HA GLN A 13 2.414 -0.842 -7.121 1.00 0.00 H new ATOM 0 HB2 GLN A 13 3.522 0.244 -9.671 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.734 -1.472 -9.385 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.048 -0.897 -8.621 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.309 -0.018 -10.114 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.375 -1.206 -11.904 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.932 -2.896 -12.165 1.00 0.00 H new ATOM 174 N ASP A 14 5.565 -0.066 -7.009 1.00 0.00 N ATOM 175 CA ASP A 14 6.864 -0.475 -6.503 1.00 0.00 C ATOM 176 C ASP A 14 6.918 -0.236 -4.993 1.00 0.00 C ATOM 177 O ASP A 14 7.553 -0.995 -4.263 1.00 0.00 O ATOM 178 CB ASP A 14 7.988 0.336 -7.151 1.00 0.00 C ATOM 179 CG ASP A 14 9.304 -0.420 -7.342 1.00 0.00 C ATOM 180 OD1 ASP A 14 9.225 -1.638 -7.615 1.00 0.00 O ATOM 181 OD2 ASP A 14 10.360 0.236 -7.212 1.00 0.00 O ATOM 0 H ASP A 14 5.513 0.906 -7.312 1.00 0.00 H new ATOM 0 HA ASP A 14 6.999 -1.531 -6.738 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.646 0.690 -8.123 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.179 1.218 -6.539 1.00 0.00 H new ATOM 186 N LEU A 15 6.242 0.823 -4.570 1.00 0.00 N ATOM 187 CA LEU A 15 6.205 1.172 -3.160 1.00 0.00 C ATOM 188 C LEU A 15 5.703 -0.029 -2.355 1.00 0.00 C ATOM 189 O LEU A 15 6.475 -0.668 -1.641 1.00 0.00 O ATOM 190 CB LEU A 15 5.383 2.444 -2.944 1.00 0.00 C ATOM 191 CG LEU A 15 5.130 2.840 -1.488 1.00 0.00 C ATOM 192 CD1 LEU A 15 6.436 3.222 -0.789 1.00 0.00 C ATOM 193 CD2 LEU A 15 4.084 3.954 -1.397 1.00 0.00 C ATOM 0 H LEU A 15 5.716 1.450 -5.179 1.00 0.00 H new ATOM 0 HA LEU A 15 7.207 1.403 -2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.891 3.270 -3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.420 2.319 -3.438 1.00 0.00 H new ATOM 0 HG LEU A 15 4.725 1.974 -0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.228 3.499 0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.120 2.373 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.892 4.066 -1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.923 4.217 -0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.437 4.830 -1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.147 3.609 -1.833 1.00 0.00 H new ATOM 205 N PHE A 16 4.414 -0.299 -2.497 1.00 0.00 N ATOM 206 CA PHE A 16 3.800 -1.411 -1.791 1.00 0.00 C ATOM 207 C PHE A 16 4.625 -2.689 -1.960 1.00 0.00 C ATOM 208 O PHE A 16 4.663 -3.530 -1.063 1.00 0.00 O ATOM 209 CB PHE A 16 2.418 -1.625 -2.411 1.00 0.00 C ATOM 210 CG PHE A 16 1.426 -0.496 -2.123 1.00 0.00 C ATOM 211 CD1 PHE A 16 1.419 0.110 -0.906 1.00 0.00 C ATOM 212 CD2 PHE A 16 0.550 -0.099 -3.085 1.00 0.00 C ATOM 213 CE1 PHE A 16 0.499 1.158 -0.639 1.00 0.00 C ATOM 214 CE2 PHE A 16 -0.370 0.949 -2.819 1.00 0.00 C ATOM 215 CZ PHE A 16 -0.377 1.555 -1.601 1.00 0.00 C ATOM 0 H PHE A 16 3.778 0.233 -3.091 1.00 0.00 H new ATOM 0 HA PHE A 16 3.738 -1.188 -0.726 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.528 -1.732 -3.490 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.005 -2.562 -2.038 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.114 -0.206 -0.142 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.554 -0.581 -4.051 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.495 1.640 0.328 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.064 1.265 -3.583 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.078 2.351 -1.398 1.00 0.00 H new ATOM 225 N ASN A 17 5.264 -2.795 -3.115 1.00 0.00 N ATOM 226 CA ASN A 17 6.085 -3.956 -3.413 1.00 0.00 C ATOM 227 C ASN A 17 7.339 -3.926 -2.536 1.00 0.00 C ATOM 228 O ASN A 17 7.576 -4.845 -1.754 1.00 0.00 O ATOM 229 CB ASN A 17 6.531 -3.955 -4.876 1.00 0.00 C ATOM 230 CG ASN A 17 5.637 -4.862 -5.723 1.00 0.00 C ATOM 231 OD1 ASN A 17 4.966 -5.753 -5.227 1.00 0.00 O ATOM 232 ND2 ASN A 17 5.664 -4.588 -7.024 1.00 0.00 N ATOM 0 H ASN A 17 5.230 -2.095 -3.856 1.00 0.00 H new ATOM 0 HA ASN A 17 5.490 -4.849 -3.219 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.500 -2.939 -5.269 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.565 -4.292 -4.945 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.101 -5.138 -7.673 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.248 -3.828 -7.373 1.00 0.00 H new ATOM 239 N LYS A 18 8.109 -2.860 -2.697 1.00 0.00 N ATOM 240 CA LYS A 18 9.333 -2.698 -1.931 1.00 0.00 C ATOM 241 C LYS A 18 9.013 -2.810 -0.438 1.00 0.00 C ATOM 242 O LYS A 18 9.602 -3.628 0.267 1.00 0.00 O ATOM 243 CB LYS A 18 10.037 -1.395 -2.313 1.00 0.00 C ATOM 244 CG LYS A 18 11.557 -1.572 -2.312 1.00 0.00 C ATOM 245 CD LYS A 18 12.258 -0.287 -1.867 1.00 0.00 C ATOM 246 CE LYS A 18 13.769 -0.498 -1.755 1.00 0.00 C ATOM 247 NZ LYS A 18 14.181 -0.556 -0.334 1.00 0.00 N ATOM 0 H LYS A 18 7.909 -2.100 -3.347 1.00 0.00 H new ATOM 0 HA LYS A 18 10.039 -3.494 -2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.705 -1.074 -3.301 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.759 -0.608 -1.612 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.831 -2.390 -1.645 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.895 -1.848 -3.311 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.050 0.511 -2.580 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.860 0.034 -0.905 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.051 -1.422 -2.260 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.294 0.314 -2.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.209 -0.700 -0.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.929 0.336 0.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.694 -1.345 0.137 1.00 0.00 H new ATOM 261 N LYS A 19 8.082 -1.975 -0.002 1.00 0.00 N ATOM 262 CA LYS A 19 7.677 -1.970 1.394 1.00 0.00 C ATOM 263 C LYS A 19 7.598 -3.410 1.903 1.00 0.00 C ATOM 264 O LYS A 19 8.055 -3.708 3.005 1.00 0.00 O ATOM 265 CB LYS A 19 6.377 -1.182 1.571 1.00 0.00 C ATOM 266 CG LYS A 19 6.661 0.308 1.772 1.00 0.00 C ATOM 267 CD LYS A 19 6.935 0.620 3.245 1.00 0.00 C ATOM 268 CE LYS A 19 7.548 2.013 3.405 1.00 0.00 C ATOM 269 NZ LYS A 19 8.069 2.195 4.778 1.00 0.00 N ATOM 0 H LYS A 19 7.596 -1.297 -0.590 1.00 0.00 H new ATOM 0 HA LYS A 19 8.420 -1.457 2.005 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.742 -1.320 0.696 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.827 -1.570 2.428 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.519 0.603 1.168 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.810 0.894 1.424 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.006 0.560 3.812 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.610 -0.128 3.660 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.354 2.147 2.683 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.798 2.774 3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.481 3.145 4.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.292 2.087 5.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.800 1.480 4.969 1.00 0.00 H new ATOM 283 N TYR A 20 7.014 -4.265 1.076 1.00 0.00 N ATOM 284 CA TYR A 20 6.869 -5.667 1.429 1.00 0.00 C ATOM 285 C TYR A 20 8.186 -6.238 1.958 1.00 0.00 C ATOM 286 O TYR A 20 8.244 -6.739 3.080 1.00 0.00 O ATOM 287 CB TYR A 20 6.496 -6.392 0.134 1.00 0.00 C ATOM 288 CG TYR A 20 5.749 -7.709 0.351 1.00 0.00 C ATOM 289 CD1 TYR A 20 4.657 -7.752 1.193 1.00 0.00 C ATOM 290 CD2 TYR A 20 6.168 -8.854 -0.295 1.00 0.00 C ATOM 291 CE1 TYR A 20 3.954 -8.992 1.398 1.00 0.00 C ATOM 292 CE2 TYR A 20 5.465 -10.094 -0.090 1.00 0.00 C ATOM 293 CZ TYR A 20 4.393 -10.102 0.746 1.00 0.00 C ATOM 294 OH TYR A 20 3.729 -11.273 0.938 1.00 0.00 O ATOM 0 H TYR A 20 6.636 -4.014 0.163 1.00 0.00 H new ATOM 0 HA TYR A 20 6.117 -5.791 2.209 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.878 -5.732 -0.475 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.405 -6.591 -0.434 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.329 -6.856 1.698 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.023 -8.820 -0.954 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.098 -9.039 2.054 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.782 -10.998 -0.589 1.00 0.00 H new ATOM 0 HH TYR A 20 4.153 -11.980 0.408 1.00 0.00 H new ATOM 304 N GLY A 21 9.212 -6.144 1.125 1.00 0.00 N ATOM 305 CA GLY A 21 10.525 -6.645 1.494 1.00 0.00 C ATOM 306 C GLY A 21 10.829 -6.353 2.965 1.00 0.00 C ATOM 307 O GLY A 21 11.464 -7.159 3.643 1.00 0.00 O ATOM 0 H GLY A 21 9.160 -5.728 0.195 1.00 0.00 H new ATOM 0 HA2 GLY A 21 10.572 -7.719 1.315 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.285 -6.184 0.863 1.00 0.00 H new ATOM 311 N GLU A 22 10.362 -5.198 3.415 1.00 0.00 N ATOM 312 CA GLU A 22 10.576 -4.789 4.793 1.00 0.00 C ATOM 313 C GLU A 22 9.649 -5.568 5.728 1.00 0.00 C ATOM 314 O GLU A 22 10.109 -6.212 6.669 1.00 0.00 O ATOM 315 CB GLU A 22 10.377 -3.281 4.955 1.00 0.00 C ATOM 316 CG GLU A 22 11.269 -2.503 3.985 1.00 0.00 C ATOM 317 CD GLU A 22 11.161 -0.996 4.230 1.00 0.00 C ATOM 318 OE1 GLU A 22 10.045 -0.557 4.583 1.00 0.00 O ATOM 319 OE2 GLU A 22 12.196 -0.317 4.058 1.00 0.00 O ATOM 0 H GLU A 22 9.836 -4.532 2.850 1.00 0.00 H new ATOM 0 HA GLU A 22 11.607 -5.017 5.063 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.332 -3.027 4.777 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.606 -2.988 5.980 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.305 -2.821 4.103 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.981 -2.730 2.959 1.00 0.00 H new ATOM 326 N ALA A 23 8.360 -5.484 5.435 1.00 0.00 N ATOM 327 CA ALA A 23 7.364 -6.173 6.238 1.00 0.00 C ATOM 328 C ALA A 23 7.826 -7.609 6.495 1.00 0.00 C ATOM 329 O ALA A 23 7.523 -8.185 7.538 1.00 0.00 O ATOM 330 CB ALA A 23 6.008 -6.115 5.530 1.00 0.00 C ATOM 0 H ALA A 23 7.982 -4.949 4.653 1.00 0.00 H new ATOM 0 HA ALA A 23 7.248 -5.686 7.206 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.261 -6.632 6.132 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.711 -5.075 5.397 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.085 -6.597 4.556 1.00 0.00 H new ATOM 336 N LEU A 24 8.553 -8.145 5.525 1.00 0.00 N ATOM 337 CA LEU A 24 9.060 -9.502 5.633 1.00 0.00 C ATOM 338 C LEU A 24 10.485 -9.466 6.189 1.00 0.00 C ATOM 339 O LEU A 24 10.921 -10.407 6.851 1.00 0.00 O ATOM 340 CB LEU A 24 8.942 -10.227 4.291 1.00 0.00 C ATOM 341 CG LEU A 24 7.572 -10.164 3.614 1.00 0.00 C ATOM 342 CD1 LEU A 24 7.640 -10.713 2.187 1.00 0.00 C ATOM 343 CD2 LEU A 24 6.512 -10.880 4.453 1.00 0.00 C ATOM 0 H LEU A 24 8.803 -7.664 4.661 1.00 0.00 H new ATOM 0 HA LEU A 24 8.457 -10.079 6.334 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.682 -9.809 3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.203 -11.274 4.442 1.00 0.00 H new ATOM 0 HG LEU A 24 7.274 -9.118 3.543 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.653 -10.657 1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.346 -10.122 1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.970 -11.752 2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.547 -10.820 3.949 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.792 -11.926 4.578 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.440 -10.405 5.431 1.00 0.00 H new ATOM 355 N GLY A 25 11.172 -8.371 5.901 1.00 0.00 N ATOM 356 CA GLY A 25 12.538 -8.200 6.363 1.00 0.00 C ATOM 357 C GLY A 25 13.537 -8.462 5.234 1.00 0.00 C ATOM 358 O GLY A 25 14.714 -8.124 5.350 1.00 0.00 O ATOM 0 H GLY A 25 10.807 -7.592 5.352 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.672 -7.188 6.744 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.733 -8.881 7.191 1.00 0.00 H new ATOM 362 N ILE A 26 13.030 -9.061 4.166 1.00 0.00 N ATOM 363 CA ILE A 26 13.862 -9.372 3.017 1.00 0.00 C ATOM 364 C ILE A 26 14.721 -8.154 2.670 1.00 0.00 C ATOM 365 O ILE A 26 14.457 -7.049 3.142 1.00 0.00 O ATOM 366 CB ILE A 26 13.004 -9.872 1.853 1.00 0.00 C ATOM 367 CG1 ILE A 26 12.697 -11.364 1.998 1.00 0.00 C ATOM 368 CG2 ILE A 26 13.661 -9.550 0.509 1.00 0.00 C ATOM 369 CD1 ILE A 26 11.399 -11.730 1.276 1.00 0.00 C ATOM 0 H ILE A 26 12.053 -9.339 4.073 1.00 0.00 H new ATOM 0 HA ILE A 26 14.546 -10.188 3.251 1.00 0.00 H new ATOM 0 HB ILE A 26 12.051 -9.343 1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 26 13.521 -11.950 1.591 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.615 -11.621 3.054 1.00 0.00 H new ATOM 0 HG21 ILE A 26 13.031 -9.916 -0.301 1.00 0.00 H new ATOM 0 HG22 ILE A 26 13.784 -8.471 0.414 1.00 0.00 H new ATOM 0 HG23 ILE A 26 14.637 -10.033 0.456 1.00 0.00 H new ATOM 0 HD11 ILE A 26 11.205 -12.796 1.395 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.573 -11.161 1.702 1.00 0.00 H new ATOM 0 HD13 ILE A 26 11.493 -11.495 0.216 1.00 0.00 H new ATOM 381 N LYS A 27 15.730 -8.397 1.847 1.00 0.00 N ATOM 382 CA LYS A 27 16.628 -7.333 1.431 1.00 0.00 C ATOM 383 C LYS A 27 16.353 -6.982 -0.033 1.00 0.00 C ATOM 384 O LYS A 27 16.481 -5.825 -0.432 1.00 0.00 O ATOM 385 CB LYS A 27 18.082 -7.722 1.706 1.00 0.00 C ATOM 386 CG LYS A 27 18.701 -6.812 2.770 1.00 0.00 C ATOM 387 CD LYS A 27 19.591 -5.746 2.129 1.00 0.00 C ATOM 388 CE LYS A 27 18.894 -4.384 2.118 1.00 0.00 C ATOM 389 NZ LYS A 27 18.768 -3.856 3.495 1.00 0.00 N ATOM 0 H LYS A 27 15.946 -9.315 1.457 1.00 0.00 H new ATOM 0 HA LYS A 27 16.446 -6.431 2.015 1.00 0.00 H new ATOM 0 HB2 LYS A 27 18.128 -8.759 2.038 1.00 0.00 H new ATOM 0 HB3 LYS A 27 18.660 -7.656 0.785 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.911 -6.332 3.347 1.00 0.00 H new ATOM 0 HG3 LYS A 27 19.288 -7.409 3.468 1.00 0.00 H new ATOM 0 HD2 LYS A 27 20.530 -5.673 2.677 1.00 0.00 H new ATOM 0 HD3 LYS A 27 19.839 -6.040 1.109 1.00 0.00 H new ATOM 0 HE2 LYS A 27 19.460 -3.684 1.504 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.906 -4.478 1.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 18.702 -2.819 3.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.911 -4.244 3.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 19.602 -4.134 4.051 1.00 0.00 H new ATOM 403 N TYR A 28 15.979 -8.001 -0.793 1.00 0.00 N ATOM 404 CA TYR A 28 15.684 -7.814 -2.203 1.00 0.00 C ATOM 405 C TYR A 28 14.234 -7.370 -2.406 1.00 0.00 C ATOM 406 O TYR A 28 13.413 -7.486 -1.498 1.00 0.00 O ATOM 407 CB TYR A 28 15.883 -9.181 -2.860 1.00 0.00 C ATOM 408 CG TYR A 28 15.258 -10.342 -2.083 1.00 0.00 C ATOM 409 CD1 TYR A 28 13.924 -10.649 -2.256 1.00 0.00 C ATOM 410 CD2 TYR A 28 16.029 -11.081 -1.209 1.00 0.00 C ATOM 411 CE1 TYR A 28 13.337 -11.742 -1.524 1.00 0.00 C ATOM 412 CE2 TYR A 28 15.442 -12.173 -0.477 1.00 0.00 C ATOM 413 CZ TYR A 28 14.124 -12.450 -0.671 1.00 0.00 C ATOM 414 OH TYR A 28 13.569 -13.481 0.020 1.00 0.00 O ATOM 0 H TYR A 28 15.874 -8.959 -0.459 1.00 0.00 H new ATOM 0 HA TYR A 28 16.328 -7.046 -2.631 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.456 -9.156 -3.862 1.00 0.00 H new ATOM 0 HB3 TYR A 28 16.951 -9.366 -2.973 1.00 0.00 H new ATOM 0 HD1 TYR A 28 13.320 -10.070 -2.940 1.00 0.00 H new ATOM 0 HD2 TYR A 28 17.073 -10.840 -1.074 1.00 0.00 H new ATOM 0 HE1 TYR A 28 12.294 -11.994 -1.650 1.00 0.00 H new ATOM 0 HE2 TYR A 28 16.034 -12.759 0.210 1.00 0.00 H new ATOM 0 HH TYR A 28 14.164 -13.741 0.754 1.00 0.00 H new ATOM 424 N PRO A 29 13.957 -6.856 -3.634 1.00 0.00 N ATOM 425 CA PRO A 29 12.620 -6.394 -3.968 1.00 0.00 C ATOM 426 C PRO A 29 11.677 -7.573 -4.210 1.00 0.00 C ATOM 427 O PRO A 29 11.890 -8.366 -5.126 1.00 0.00 O ATOM 428 CB PRO A 29 12.802 -5.517 -5.196 1.00 0.00 C ATOM 429 CG PRO A 29 14.155 -5.892 -5.779 1.00 0.00 C ATOM 430 CD PRO A 29 14.905 -6.702 -4.734 1.00 0.00 C ATOM 0 HA PRO A 29 12.155 -5.831 -3.158 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.004 -5.687 -5.919 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.771 -4.461 -4.930 1.00 0.00 H new ATOM 0 HG2 PRO A 29 14.029 -6.472 -6.693 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.718 -4.997 -6.044 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.213 -7.670 -5.129 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.809 -6.188 -4.408 1.00 0.00 H new ATOM 438 N VAL A 30 10.653 -7.653 -3.372 1.00 0.00 N ATOM 439 CA VAL A 30 9.676 -8.722 -3.483 1.00 0.00 C ATOM 440 C VAL A 30 8.361 -8.152 -4.018 1.00 0.00 C ATOM 441 O VAL A 30 8.134 -6.944 -3.958 1.00 0.00 O ATOM 442 CB VAL A 30 9.517 -9.429 -2.136 1.00 0.00 C ATOM 443 CG1 VAL A 30 8.733 -10.733 -2.289 1.00 0.00 C ATOM 444 CG2 VAL A 30 10.879 -9.681 -1.485 1.00 0.00 C ATOM 0 H VAL A 30 10.479 -6.994 -2.613 1.00 0.00 H new ATOM 0 HA VAL A 30 10.016 -9.477 -4.192 1.00 0.00 H new ATOM 0 HB VAL A 30 8.947 -8.772 -1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.635 -11.215 -1.316 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.742 -10.517 -2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.262 -11.398 -2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.738 -10.185 -0.529 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.485 -10.308 -2.139 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.386 -8.730 -1.323 1.00 0.00 H new ATOM 454 N GLN A 31 7.528 -9.047 -4.528 1.00 0.00 N ATOM 455 CA GLN A 31 6.242 -8.648 -5.072 1.00 0.00 C ATOM 456 C GLN A 31 5.111 -9.085 -4.138 1.00 0.00 C ATOM 457 O GLN A 31 5.091 -10.223 -3.673 1.00 0.00 O ATOM 458 CB GLN A 31 6.041 -9.217 -6.478 1.00 0.00 C ATOM 459 CG GLN A 31 7.031 -8.598 -7.467 1.00 0.00 C ATOM 460 CD GLN A 31 6.887 -9.227 -8.854 1.00 0.00 C ATOM 461 OE1 GLN A 31 6.100 -8.796 -9.681 1.00 0.00 O ATOM 462 NE2 GLN A 31 7.688 -10.268 -9.062 1.00 0.00 N ATOM 0 H GLN A 31 7.719 -10.048 -4.576 1.00 0.00 H new ATOM 0 HA GLN A 31 6.224 -7.561 -5.149 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.170 -10.299 -6.458 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.021 -9.024 -6.810 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.861 -7.523 -7.532 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.049 -8.739 -7.104 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.324 -10.577 -8.327 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.667 -10.757 -9.957 1.00 0.00 H new ATOM 471 N VAL A 32 4.199 -8.156 -3.891 1.00 0.00 N ATOM 472 CA VAL A 32 3.068 -8.431 -3.021 1.00 0.00 C ATOM 473 C VAL A 32 2.078 -9.341 -3.750 1.00 0.00 C ATOM 474 O VAL A 32 1.781 -9.127 -4.924 1.00 0.00 O ATOM 475 CB VAL A 32 2.439 -7.118 -2.551 1.00 0.00 C ATOM 476 CG1 VAL A 32 1.131 -7.375 -1.799 1.00 0.00 C ATOM 477 CG2 VAL A 32 3.418 -6.318 -1.689 1.00 0.00 C ATOM 0 H VAL A 32 4.220 -7.212 -4.278 1.00 0.00 H new ATOM 0 HA VAL A 32 3.395 -8.959 -2.125 1.00 0.00 H new ATOM 0 HB VAL A 32 2.207 -6.523 -3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.704 -6.425 -1.476 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.427 -7.884 -2.457 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.329 -7.999 -0.928 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.946 -5.389 -1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.696 -6.905 -0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.311 -6.089 -2.270 1.00 0.00 H new ATOM 487 N PRO A 33 1.581 -10.364 -3.004 1.00 0.00 N ATOM 488 CA PRO A 33 0.630 -11.308 -3.567 1.00 0.00 C ATOM 489 C PRO A 33 -0.759 -10.678 -3.692 1.00 0.00 C ATOM 490 O PRO A 33 -1.667 -11.017 -2.935 1.00 0.00 O ATOM 491 CB PRO A 33 0.659 -12.503 -2.629 1.00 0.00 C ATOM 492 CG PRO A 33 1.270 -11.999 -1.331 1.00 0.00 C ATOM 493 CD PRO A 33 1.910 -10.649 -1.611 1.00 0.00 C ATOM 0 HA PRO A 33 0.888 -11.610 -4.582 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.345 -12.893 -2.462 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.251 -13.316 -3.050 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.505 -11.906 -0.560 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.013 -12.704 -0.960 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.518 -9.879 -0.946 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.989 -10.683 -1.458 1.00 0.00 H new ATOM 501 N TYR A 34 -0.879 -9.774 -4.652 1.00 0.00 N ATOM 502 CA TYR A 34 -2.142 -9.094 -4.885 1.00 0.00 C ATOM 503 C TYR A 34 -3.278 -10.099 -5.081 1.00 0.00 C ATOM 504 O TYR A 34 -4.293 -10.038 -4.389 1.00 0.00 O ATOM 505 CB TYR A 34 -1.958 -8.292 -6.175 1.00 0.00 C ATOM 506 CG TYR A 34 -0.763 -7.338 -6.150 1.00 0.00 C ATOM 507 CD1 TYR A 34 -0.660 -6.387 -5.154 1.00 0.00 C ATOM 508 CD2 TYR A 34 0.213 -7.427 -7.122 1.00 0.00 C ATOM 509 CE1 TYR A 34 0.465 -5.489 -5.130 1.00 0.00 C ATOM 510 CE2 TYR A 34 1.338 -6.528 -7.097 1.00 0.00 C ATOM 511 CZ TYR A 34 1.408 -5.603 -6.103 1.00 0.00 C ATOM 512 OH TYR A 34 2.471 -4.755 -6.080 1.00 0.00 O ATOM 0 H TYR A 34 -0.123 -9.496 -5.278 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.401 -8.464 -4.034 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -1.839 -8.985 -7.008 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.864 -7.717 -6.366 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.423 -6.317 -4.393 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.133 -8.171 -7.901 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.558 -4.741 -4.356 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.109 -6.587 -7.851 1.00 0.00 H new ATOM 0 HH TYR A 34 3.226 -5.189 -5.632 1.00 0.00 H new ATOM 522 N LYS A 35 -3.070 -11.002 -6.029 1.00 0.00 N ATOM 523 CA LYS A 35 -4.064 -12.019 -6.325 1.00 0.00 C ATOM 524 C LYS A 35 -4.578 -12.620 -5.015 1.00 0.00 C ATOM 525 O LYS A 35 -5.744 -12.445 -4.664 1.00 0.00 O ATOM 526 CB LYS A 35 -3.496 -13.057 -7.296 1.00 0.00 C ATOM 527 CG LYS A 35 -4.445 -13.281 -8.475 1.00 0.00 C ATOM 528 CD LYS A 35 -4.404 -14.738 -8.942 1.00 0.00 C ATOM 529 CE LYS A 35 -4.525 -14.828 -10.465 1.00 0.00 C ATOM 530 NZ LYS A 35 -4.850 -16.212 -10.877 1.00 0.00 N ATOM 0 H LYS A 35 -2.227 -11.050 -6.602 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.922 -11.577 -6.832 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.526 -12.724 -7.664 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.332 -13.999 -6.772 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.462 -13.017 -8.184 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.169 -12.623 -9.299 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.471 -15.201 -8.619 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.215 -15.296 -8.475 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.300 -14.146 -10.815 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.590 -14.514 -10.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.929 -16.256 -11.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.097 -16.855 -10.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.753 -16.499 -10.449 1.00 0.00 H new ATOM 544 N ARG A 36 -3.684 -13.316 -4.329 1.00 0.00 N ATOM 545 CA ARG A 36 -4.033 -13.943 -3.066 1.00 0.00 C ATOM 546 C ARG A 36 -4.646 -12.915 -2.113 1.00 0.00 C ATOM 547 O ARG A 36 -5.495 -13.254 -1.291 1.00 0.00 O ATOM 548 CB ARG A 36 -2.805 -14.571 -2.404 1.00 0.00 C ATOM 549 CG ARG A 36 -2.031 -15.440 -3.398 1.00 0.00 C ATOM 550 CD ARG A 36 -1.474 -16.691 -2.716 1.00 0.00 C ATOM 551 NE ARG A 36 -0.064 -16.470 -2.325 1.00 0.00 N ATOM 552 CZ ARG A 36 0.649 -17.320 -1.574 1.00 0.00 C ATOM 553 NH1 ARG A 36 0.090 -18.453 -1.129 1.00 0.00 N ATOM 554 NH2 ARG A 36 1.923 -17.037 -1.268 1.00 0.00 N ATOM 0 H ARG A 36 -2.718 -13.460 -4.624 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.760 -14.727 -3.277 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.154 -13.786 -2.018 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.116 -15.176 -1.552 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.686 -15.731 -4.219 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.214 -14.863 -3.831 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.070 -16.931 -1.836 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.543 -17.544 -3.391 1.00 0.00 H new ATOM 0 HE ARG A 36 0.394 -15.617 -2.647 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.879 -18.669 -1.362 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.634 -19.100 -0.557 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.349 -16.175 -1.607 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.466 -17.684 -0.696 1.00 0.00 H new ATOM 568 N ILE A 37 -4.192 -11.678 -2.257 1.00 0.00 N ATOM 569 CA ILE A 37 -4.685 -10.598 -1.420 1.00 0.00 C ATOM 570 C ILE A 37 -6.113 -10.245 -1.839 1.00 0.00 C ATOM 571 O ILE A 37 -6.880 -9.698 -1.047 1.00 0.00 O ATOM 572 CB ILE A 37 -3.722 -9.410 -1.456 1.00 0.00 C ATOM 573 CG1 ILE A 37 -2.566 -9.611 -0.474 1.00 0.00 C ATOM 574 CG2 ILE A 37 -4.463 -8.095 -1.206 1.00 0.00 C ATOM 575 CD1 ILE A 37 -1.546 -8.476 -0.588 1.00 0.00 C ATOM 0 H ILE A 37 -3.488 -11.400 -2.941 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.727 -10.913 -0.377 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.290 -9.352 -2.455 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.953 -9.656 0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.077 -10.565 -0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -3.755 -7.267 -1.237 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.222 -7.953 -1.976 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.941 -8.127 -0.227 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.735 -8.643 0.121 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.143 -8.449 -1.601 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.032 -7.526 -0.365 1.00 0.00 H new ATOM 587 N LYS A 38 -6.428 -10.571 -3.084 1.00 0.00 N ATOM 588 CA LYS A 38 -7.751 -10.295 -3.619 1.00 0.00 C ATOM 589 C LYS A 38 -8.728 -11.364 -3.126 1.00 0.00 C ATOM 590 O LYS A 38 -9.819 -11.043 -2.655 1.00 0.00 O ATOM 591 CB LYS A 38 -7.697 -10.167 -5.142 1.00 0.00 C ATOM 592 CG LYS A 38 -8.720 -9.145 -5.643 1.00 0.00 C ATOM 593 CD LYS A 38 -8.242 -8.477 -6.934 1.00 0.00 C ATOM 594 CE LYS A 38 -8.300 -9.454 -8.110 1.00 0.00 C ATOM 595 NZ LYS A 38 -9.530 -9.236 -8.904 1.00 0.00 N ATOM 0 H LYS A 38 -5.790 -11.024 -3.738 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.117 -9.335 -3.255 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.696 -9.866 -5.450 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.893 -11.137 -5.599 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.676 -9.638 -5.817 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.887 -8.387 -4.878 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.862 -7.607 -7.149 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.221 -8.117 -6.805 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.423 -9.322 -8.744 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.275 -10.479 -7.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.554 -9.907 -9.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.364 -9.384 -8.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.538 -8.263 -9.272 1.00 0.00 H new ATOM 609 N SER A 39 -8.303 -12.612 -3.250 1.00 0.00 N ATOM 610 CA SER A 39 -9.127 -13.730 -2.823 1.00 0.00 C ATOM 611 C SER A 39 -9.289 -13.710 -1.302 1.00 0.00 C ATOM 612 O SER A 39 -10.387 -13.919 -0.788 1.00 0.00 O ATOM 613 CB SER A 39 -8.526 -15.062 -3.276 1.00 0.00 C ATOM 614 OG SER A 39 -8.822 -15.346 -4.640 1.00 0.00 O ATOM 0 H SER A 39 -7.398 -12.874 -3.640 1.00 0.00 H new ATOM 0 HA SER A 39 -10.108 -13.629 -3.287 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.445 -15.038 -3.137 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.910 -15.865 -2.647 1.00 0.00 H new ATOM 0 HG SER A 39 -8.419 -16.204 -4.890 1.00 0.00 H new ATOM 620 N ASN A 40 -8.179 -13.457 -0.624 1.00 0.00 N ATOM 621 CA ASN A 40 -8.184 -13.406 0.828 1.00 0.00 C ATOM 622 C ASN A 40 -7.727 -12.021 1.287 1.00 0.00 C ATOM 623 O ASN A 40 -6.572 -11.646 1.089 1.00 0.00 O ATOM 624 CB ASN A 40 -7.223 -14.441 1.418 1.00 0.00 C ATOM 625 CG ASN A 40 -7.942 -15.764 1.689 1.00 0.00 C ATOM 626 OD1 ASN A 40 -8.688 -15.911 2.643 1.00 0.00 O ATOM 627 ND2 ASN A 40 -7.676 -16.716 0.800 1.00 0.00 N ATOM 0 H ASN A 40 -7.270 -13.285 -1.054 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.197 -13.618 1.170 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.395 -14.607 0.729 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -6.795 -14.059 2.345 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.106 -17.636 0.894 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.042 -16.526 0.024 1.00 0.00 H new ATOM 634 N PRO A 41 -8.681 -11.277 1.909 1.00 0.00 N ATOM 635 CA PRO A 41 -8.388 -9.941 2.399 1.00 0.00 C ATOM 636 C PRO A 41 -7.550 -9.997 3.677 1.00 0.00 C ATOM 637 O PRO A 41 -6.862 -9.035 4.016 1.00 0.00 O ATOM 638 CB PRO A 41 -9.747 -9.292 2.607 1.00 0.00 C ATOM 639 CG PRO A 41 -10.748 -10.433 2.672 1.00 0.00 C ATOM 640 CD PRO A 41 -10.059 -11.688 2.162 1.00 0.00 C ATOM 0 HA PRO A 41 -7.786 -9.359 1.701 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -9.763 -8.705 3.526 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -9.984 -8.611 1.790 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.096 -10.578 3.695 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.625 -10.206 2.066 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.104 -12.491 2.897 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.534 -12.060 1.254 1.00 0.00 H new ATOM 648 N GLY A 42 -7.634 -11.134 4.353 1.00 0.00 N ATOM 649 CA GLY A 42 -6.892 -11.328 5.587 1.00 0.00 C ATOM 650 C GLY A 42 -5.480 -11.844 5.302 1.00 0.00 C ATOM 651 O GLY A 42 -4.997 -12.749 5.981 1.00 0.00 O ATOM 0 H GLY A 42 -8.205 -11.930 4.069 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.836 -10.387 6.134 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.420 -12.036 6.226 1.00 0.00 H new ATOM 655 N SER A 43 -4.857 -11.246 4.297 1.00 0.00 N ATOM 656 CA SER A 43 -3.510 -11.634 3.914 1.00 0.00 C ATOM 657 C SER A 43 -2.502 -10.609 4.437 1.00 0.00 C ATOM 658 O SER A 43 -1.760 -10.888 5.377 1.00 0.00 O ATOM 659 CB SER A 43 -3.388 -11.772 2.395 1.00 0.00 C ATOM 660 OG SER A 43 -3.023 -13.093 2.006 1.00 0.00 O ATOM 0 H SER A 43 -5.260 -10.495 3.736 1.00 0.00 H new ATOM 0 HA SER A 43 -3.294 -12.606 4.358 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.337 -11.506 1.930 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.644 -11.067 2.026 1.00 0.00 H new ATOM 0 HG SER A 43 -2.957 -13.140 1.029 1.00 0.00 H new ATOM 666 N VAL A 44 -2.508 -9.445 3.805 1.00 0.00 N ATOM 667 CA VAL A 44 -1.603 -8.377 4.195 1.00 0.00 C ATOM 668 C VAL A 44 -2.417 -7.144 4.592 1.00 0.00 C ATOM 669 O VAL A 44 -3.177 -6.612 3.785 1.00 0.00 O ATOM 670 CB VAL A 44 -0.606 -8.098 3.068 1.00 0.00 C ATOM 671 CG1 VAL A 44 0.094 -6.754 3.276 1.00 0.00 C ATOM 672 CG2 VAL A 44 0.412 -9.234 2.944 1.00 0.00 C ATOM 0 H VAL A 44 -3.125 -9.218 3.025 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.016 -8.673 5.064 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.163 -8.044 2.133 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.797 -6.580 2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.648 -5.956 3.291 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.633 -6.767 4.224 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.109 -9.011 2.136 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.961 -9.334 3.880 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.108 -10.167 2.727 1.00 0.00 H new ATOM 682 N ILE A 45 -2.229 -6.725 5.834 1.00 0.00 N ATOM 683 CA ILE A 45 -2.936 -5.564 6.348 1.00 0.00 C ATOM 684 C ILE A 45 -2.130 -4.302 6.037 1.00 0.00 C ATOM 685 O ILE A 45 -0.918 -4.269 6.244 1.00 0.00 O ATOM 686 CB ILE A 45 -3.250 -5.743 7.835 1.00 0.00 C ATOM 687 CG1 ILE A 45 -3.653 -7.187 8.141 1.00 0.00 C ATOM 688 CG2 ILE A 45 -4.312 -4.742 8.295 1.00 0.00 C ATOM 689 CD1 ILE A 45 -3.731 -7.426 9.650 1.00 0.00 C ATOM 0 H ILE A 45 -1.597 -7.169 6.500 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.901 -5.456 5.853 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.343 -5.535 8.403 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.619 -7.403 7.684 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.930 -7.872 7.698 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.517 -4.890 9.355 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.949 -3.727 8.134 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.228 -4.895 7.724 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.019 -8.460 9.840 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.757 -7.232 10.100 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.472 -6.756 10.087 1.00 0.00 H new ATOM 701 N ILE A 46 -2.835 -3.294 5.544 1.00 0.00 N ATOM 702 CA ILE A 46 -2.199 -2.033 5.202 1.00 0.00 C ATOM 703 C ILE A 46 -2.828 -0.910 6.029 1.00 0.00 C ATOM 704 O ILE A 46 -4.050 -0.768 6.063 1.00 0.00 O ATOM 705 CB ILE A 46 -2.261 -1.794 3.693 1.00 0.00 C ATOM 706 CG1 ILE A 46 -1.192 -2.610 2.964 1.00 0.00 C ATOM 707 CG2 ILE A 46 -2.162 -0.302 3.369 1.00 0.00 C ATOM 708 CD1 ILE A 46 -1.314 -2.445 1.448 1.00 0.00 C ATOM 0 H ILE A 46 -3.840 -3.325 5.373 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.139 -2.060 5.454 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.231 -2.138 3.333 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.202 -2.291 3.289 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.291 -3.663 3.228 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.209 -0.160 2.289 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.989 0.228 3.841 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.217 0.090 3.746 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.542 -3.036 0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.296 -2.787 1.123 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.190 -1.394 1.185 1.00 0.00 H new ATOM 720 N GLU A 47 -1.965 -0.140 6.676 1.00 0.00 N ATOM 721 CA GLU A 47 -2.421 0.967 7.500 1.00 0.00 C ATOM 722 C GLU A 47 -1.475 2.161 7.356 1.00 0.00 C ATOM 723 O GLU A 47 -0.341 2.008 6.904 1.00 0.00 O ATOM 724 CB GLU A 47 -2.550 0.543 8.964 1.00 0.00 C ATOM 725 CG GLU A 47 -3.934 -0.046 9.244 1.00 0.00 C ATOM 726 CD GLU A 47 -4.817 0.957 9.990 1.00 0.00 C ATOM 727 OE1 GLU A 47 -4.448 1.295 11.136 1.00 0.00 O ATOM 728 OE2 GLU A 47 -5.840 1.363 9.398 1.00 0.00 O ATOM 0 H GLU A 47 -0.953 -0.261 6.646 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.410 1.269 7.155 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.782 -0.193 9.202 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.379 1.403 9.612 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.410 -0.327 8.305 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.833 -0.956 9.835 1.00 0.00 H new ATOM 735 N GLY A 48 -1.976 3.322 7.749 1.00 0.00 N ATOM 736 CA GLY A 48 -1.189 4.542 7.670 1.00 0.00 C ATOM 737 C GLY A 48 -1.481 5.299 6.373 1.00 0.00 C ATOM 738 O GLY A 48 -1.065 6.445 6.213 1.00 0.00 O ATOM 0 H GLY A 48 -2.917 3.445 8.123 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.412 5.179 8.526 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.128 4.299 7.722 1.00 0.00 H new ATOM 742 N LEU A 49 -2.194 4.628 5.481 1.00 0.00 N ATOM 743 CA LEU A 49 -2.547 5.223 4.203 1.00 0.00 C ATOM 744 C LEU A 49 -3.099 6.631 4.437 1.00 0.00 C ATOM 745 O LEU A 49 -3.448 6.986 5.561 1.00 0.00 O ATOM 746 CB LEU A 49 -3.499 4.308 3.431 1.00 0.00 C ATOM 747 CG LEU A 49 -2.842 3.293 2.494 1.00 0.00 C ATOM 748 CD1 LEU A 49 -3.870 2.291 1.964 1.00 0.00 C ATOM 749 CD2 LEU A 49 -2.092 3.997 1.362 1.00 0.00 C ATOM 0 H LEU A 49 -2.537 3.677 5.618 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.663 5.328 3.573 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.112 3.765 4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.173 4.931 2.844 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.106 2.728 3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.377 1.581 1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.320 1.755 2.800 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.646 2.823 1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.634 3.252 0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.790 4.604 0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.316 4.637 1.782 1.00 0.00 H new ATOM 761 N PRO A 50 -3.163 7.414 3.327 1.00 0.00 N ATOM 762 CA PRO A 50 -3.667 8.775 3.399 1.00 0.00 C ATOM 763 C PRO A 50 -5.191 8.788 3.539 1.00 0.00 C ATOM 764 O PRO A 50 -5.842 7.758 3.373 1.00 0.00 O ATOM 765 CB PRO A 50 -3.182 9.443 2.123 1.00 0.00 C ATOM 766 CG PRO A 50 -2.825 8.313 1.171 1.00 0.00 C ATOM 767 CD PRO A 50 -2.759 7.026 1.978 1.00 0.00 C ATOM 0 HA PRO A 50 -3.305 9.312 4.276 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.956 10.082 1.698 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.317 10.077 2.318 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.571 8.230 0.381 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.868 8.510 0.687 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.425 6.267 1.568 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.753 6.605 1.971 1.00 0.00 H new ATOM 775 N PRO A 51 -5.728 9.998 3.851 1.00 0.00 N ATOM 776 CA PRO A 51 -7.163 10.159 4.016 1.00 0.00 C ATOM 777 C PRO A 51 -7.874 10.154 2.661 1.00 0.00 C ATOM 778 O PRO A 51 -7.577 10.978 1.797 1.00 0.00 O ATOM 779 CB PRO A 51 -7.328 11.470 4.768 1.00 0.00 C ATOM 780 CG PRO A 51 -6.018 12.220 4.590 1.00 0.00 C ATOM 781 CD PRO A 51 -4.988 11.239 4.056 1.00 0.00 C ATOM 0 HA PRO A 51 -7.618 9.338 4.570 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.164 12.045 4.371 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.536 11.292 5.823 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.146 13.053 3.899 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.687 12.641 5.539 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -4.547 11.595 3.125 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -4.170 11.100 4.763 1.00 0.00 H new ATOM 789 N GLY A 52 -8.799 9.217 2.517 1.00 0.00 N ATOM 790 CA GLY A 52 -9.555 9.094 1.282 1.00 0.00 C ATOM 791 C GLY A 52 -9.006 7.960 0.415 1.00 0.00 C ATOM 792 O GLY A 52 -9.572 7.643 -0.630 1.00 0.00 O ATOM 0 H GLY A 52 -9.042 8.535 3.236 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.604 8.907 1.511 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.512 10.033 0.730 1.00 0.00 H new ATOM 796 N ILE A 53 -7.910 7.378 0.880 1.00 0.00 N ATOM 797 CA ILE A 53 -7.279 6.286 0.160 1.00 0.00 C ATOM 798 C ILE A 53 -7.257 5.040 1.048 1.00 0.00 C ATOM 799 O ILE A 53 -6.426 4.930 1.948 1.00 0.00 O ATOM 800 CB ILE A 53 -5.897 6.705 -0.346 1.00 0.00 C ATOM 801 CG1 ILE A 53 -5.964 8.051 -1.070 1.00 0.00 C ATOM 802 CG2 ILE A 53 -5.279 5.613 -1.220 1.00 0.00 C ATOM 803 CD1 ILE A 53 -4.603 8.422 -1.664 1.00 0.00 C ATOM 0 H ILE A 53 -7.443 7.643 1.747 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.856 6.034 -0.730 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.242 6.835 0.516 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.711 8.005 -1.863 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.285 8.827 -0.375 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.297 5.936 -1.566 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.175 4.697 -0.639 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.923 5.426 -2.079 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.678 9.383 -2.173 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.864 8.491 -0.866 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.296 7.657 -2.377 1.00 0.00 H new ATOM 815 N PRO A 54 -8.205 4.109 0.756 1.00 0.00 N ATOM 816 CA PRO A 54 -8.302 2.876 1.518 1.00 0.00 C ATOM 817 C PRO A 54 -7.182 1.906 1.136 1.00 0.00 C ATOM 818 O PRO A 54 -6.408 2.176 0.219 1.00 0.00 O ATOM 819 CB PRO A 54 -9.688 2.333 1.213 1.00 0.00 C ATOM 820 CG PRO A 54 -10.137 3.030 -0.061 1.00 0.00 C ATOM 821 CD PRO A 54 -9.205 4.206 -0.302 1.00 0.00 C ATOM 0 HA PRO A 54 -8.177 3.033 2.589 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.663 1.252 1.079 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.377 2.537 2.033 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.107 2.340 -0.904 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.167 3.373 0.034 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -8.745 4.151 -1.288 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.742 5.153 -0.254 1.00 0.00 H new ATOM 829 N PHE A 55 -7.131 0.797 1.859 1.00 0.00 N ATOM 830 CA PHE A 55 -6.119 -0.215 1.607 1.00 0.00 C ATOM 831 C PHE A 55 -6.498 -1.083 0.406 1.00 0.00 C ATOM 832 O PHE A 55 -7.064 -2.163 0.569 1.00 0.00 O ATOM 833 CB PHE A 55 -6.047 -1.097 2.855 1.00 0.00 C ATOM 834 CG PHE A 55 -5.526 -2.510 2.590 1.00 0.00 C ATOM 835 CD1 PHE A 55 -4.648 -2.732 1.575 1.00 0.00 C ATOM 836 CD2 PHE A 55 -5.940 -3.545 3.369 1.00 0.00 C ATOM 837 CE1 PHE A 55 -4.164 -4.044 1.329 1.00 0.00 C ATOM 838 CE2 PHE A 55 -5.455 -4.857 3.123 1.00 0.00 C ATOM 839 CZ PHE A 55 -4.578 -5.079 2.107 1.00 0.00 C ATOM 0 H PHE A 55 -7.774 0.577 2.619 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.163 0.262 1.390 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.403 -0.616 3.591 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.041 -1.165 3.297 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.319 -1.910 0.956 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.638 -3.369 4.175 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.467 -4.220 0.523 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.783 -5.679 3.743 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.211 -6.077 1.919 1.00 0.00 H new ATOM 849 N ARG A 56 -6.171 -0.579 -0.775 1.00 0.00 N ATOM 850 CA ARG A 56 -6.471 -1.294 -2.004 1.00 0.00 C ATOM 851 C ARG A 56 -5.355 -1.080 -3.028 1.00 0.00 C ATOM 852 O ARG A 56 -4.379 -0.384 -2.752 1.00 0.00 O ATOM 853 CB ARG A 56 -7.800 -0.830 -2.602 1.00 0.00 C ATOM 854 CG ARG A 56 -8.973 -1.222 -1.702 1.00 0.00 C ATOM 855 CD ARG A 56 -9.559 -2.572 -2.122 1.00 0.00 C ATOM 856 NE ARG A 56 -10.342 -2.418 -3.368 1.00 0.00 N ATOM 857 CZ ARG A 56 -10.862 -3.442 -4.060 1.00 0.00 C ATOM 858 NH1 ARG A 56 -10.683 -4.699 -3.632 1.00 0.00 N ATOM 859 NH2 ARG A 56 -11.559 -3.208 -5.180 1.00 0.00 N ATOM 0 H ARG A 56 -5.701 0.317 -0.907 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.547 -2.354 -1.761 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.785 0.252 -2.735 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.932 -1.271 -3.590 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.640 -1.273 -0.665 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.746 -0.455 -1.751 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.757 -3.295 -2.274 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.196 -2.964 -1.329 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.496 -1.474 -3.723 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.151 -4.877 -2.780 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.079 -5.478 -4.158 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.694 -2.251 -5.506 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.955 -3.987 -5.707 1.00 0.00 H new ATOM 873 N LYS A 57 -5.537 -1.690 -4.190 1.00 0.00 N ATOM 874 CA LYS A 57 -4.557 -1.575 -5.258 1.00 0.00 C ATOM 875 C LYS A 57 -4.552 -0.139 -5.785 1.00 0.00 C ATOM 876 O LYS A 57 -5.576 0.542 -5.755 1.00 0.00 O ATOM 877 CB LYS A 57 -4.816 -2.626 -6.338 1.00 0.00 C ATOM 878 CG LYS A 57 -4.205 -3.974 -5.950 1.00 0.00 C ATOM 879 CD LYS A 57 -3.612 -4.679 -7.171 1.00 0.00 C ATOM 880 CE LYS A 57 -4.705 -5.048 -8.176 1.00 0.00 C ATOM 881 NZ LYS A 57 -5.079 -6.473 -8.035 1.00 0.00 N ATOM 0 H LYS A 57 -6.348 -2.266 -4.416 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.555 -1.781 -4.881 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.889 -2.740 -6.490 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.394 -2.291 -7.285 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.428 -3.823 -5.200 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.968 -4.606 -5.496 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.878 -4.030 -7.649 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.085 -5.579 -6.855 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.581 -4.419 -8.017 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.354 -4.857 -9.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.822 -6.707 -8.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.245 -7.070 -8.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.433 -6.645 -7.073 1.00 0.00 H new ATOM 895 N PRO A 58 -3.356 0.291 -6.270 1.00 0.00 N ATOM 896 CA PRO A 58 -3.204 1.634 -6.803 1.00 0.00 C ATOM 897 C PRO A 58 -3.845 1.750 -8.188 1.00 0.00 C ATOM 898 O PRO A 58 -4.005 2.851 -8.712 1.00 0.00 O ATOM 899 CB PRO A 58 -1.704 1.883 -6.821 1.00 0.00 C ATOM 900 CG PRO A 58 -1.053 0.512 -6.736 1.00 0.00 C ATOM 901 CD PRO A 58 -2.122 -0.487 -6.322 1.00 0.00 C ATOM 0 HA PRO A 58 -3.712 2.386 -6.199 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.405 2.402 -7.732 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.402 2.511 -5.983 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.622 0.234 -7.698 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.238 0.521 -6.012 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.199 -1.304 -7.039 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.894 -0.933 -5.354 1.00 0.00 H new ATOM 909 N CYS A 59 -4.194 0.598 -8.741 1.00 0.00 N ATOM 910 CA CYS A 59 -4.815 0.556 -10.054 1.00 0.00 C ATOM 911 C CYS A 59 -6.154 1.292 -9.977 1.00 0.00 C ATOM 912 O CYS A 59 -6.488 2.074 -10.865 1.00 0.00 O ATOM 913 CB CYS A 59 -4.981 -0.880 -10.556 1.00 0.00 C ATOM 914 SG CYS A 59 -5.761 -0.878 -12.211 1.00 0.00 S ATOM 0 H CYS A 59 -4.059 -0.314 -8.304 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.170 1.052 -10.779 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.010 -1.372 -10.603 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.593 -1.450 -9.857 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.895 -2.102 -12.629 1.00 0.00 H new ATOM 920 N THR A 60 -6.884 1.014 -8.907 1.00 0.00 N ATOM 921 CA THR A 60 -8.179 1.640 -8.702 1.00 0.00 C ATOM 922 C THR A 60 -8.005 3.087 -8.237 1.00 0.00 C ATOM 923 O THR A 60 -8.986 3.805 -8.048 1.00 0.00 O ATOM 924 CB THR A 60 -8.971 0.777 -7.717 1.00 0.00 C ATOM 925 OG1 THR A 60 -8.422 1.110 -6.445 1.00 0.00 O ATOM 926 CG2 THR A 60 -8.670 -0.715 -7.873 1.00 0.00 C ATOM 0 H THR A 60 -6.603 0.364 -8.173 1.00 0.00 H new ATOM 0 HA THR A 60 -8.742 1.696 -9.634 1.00 0.00 H new ATOM 0 HB THR A 60 -10.038 0.949 -7.860 1.00 0.00 H new ATOM 0 HG1 THR A 60 -7.480 0.843 -6.415 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.258 -1.282 -7.151 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.929 -1.035 -8.882 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.609 -0.893 -7.697 1.00 0.00 H new ATOM 934 N PHE A 61 -6.749 3.473 -8.067 1.00 0.00 N ATOM 935 CA PHE A 61 -6.433 4.822 -7.628 1.00 0.00 C ATOM 936 C PHE A 61 -5.940 5.677 -8.797 1.00 0.00 C ATOM 937 O PHE A 61 -5.412 5.152 -9.776 1.00 0.00 O ATOM 938 CB PHE A 61 -5.315 4.704 -6.590 1.00 0.00 C ATOM 939 CG PHE A 61 -5.698 3.890 -5.353 1.00 0.00 C ATOM 940 CD1 PHE A 61 -6.996 3.543 -5.142 1.00 0.00 C ATOM 941 CD2 PHE A 61 -4.740 3.514 -4.463 1.00 0.00 C ATOM 942 CE1 PHE A 61 -7.351 2.787 -3.994 1.00 0.00 C ATOM 943 CE2 PHE A 61 -5.096 2.759 -3.315 1.00 0.00 C ATOM 944 CZ PHE A 61 -6.394 2.411 -3.104 1.00 0.00 C ATOM 0 H PHE A 61 -5.938 2.875 -8.225 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.323 5.297 -7.215 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.445 4.245 -7.059 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.018 5.705 -6.276 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -7.757 3.843 -5.848 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.709 3.790 -4.630 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -8.382 2.510 -3.827 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.336 2.461 -2.608 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.664 1.837 -2.230 1.00 0.00 H new ATOM 954 N GLY A 62 -6.131 6.981 -8.656 1.00 0.00 N ATOM 955 CA GLY A 62 -5.712 7.914 -9.688 1.00 0.00 C ATOM 956 C GLY A 62 -4.394 8.593 -9.311 1.00 0.00 C ATOM 957 O GLY A 62 -3.974 8.544 -8.156 1.00 0.00 O ATOM 0 H GLY A 62 -6.570 7.413 -7.843 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.596 7.386 -10.635 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.484 8.669 -9.836 1.00 0.00 H new ATOM 961 N SER A 63 -3.777 9.211 -10.308 1.00 0.00 N ATOM 962 CA SER A 63 -2.515 9.900 -10.095 1.00 0.00 C ATOM 963 C SER A 63 -2.591 10.752 -8.827 1.00 0.00 C ATOM 964 O SER A 63 -1.626 10.831 -8.069 1.00 0.00 O ATOM 965 CB SER A 63 -2.153 10.771 -11.299 1.00 0.00 C ATOM 966 OG SER A 63 -3.287 11.460 -11.820 1.00 0.00 O ATOM 0 H SER A 63 -4.127 9.249 -11.265 1.00 0.00 H new ATOM 0 HA SER A 63 -1.733 9.151 -9.975 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.392 11.495 -11.007 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.717 10.147 -12.080 1.00 0.00 H new ATOM 0 HG SER A 63 -3.014 12.006 -12.586 1.00 0.00 H new ATOM 972 N GLN A 64 -3.748 11.369 -8.635 1.00 0.00 N ATOM 973 CA GLN A 64 -3.962 12.213 -7.472 1.00 0.00 C ATOM 974 C GLN A 64 -3.844 11.388 -6.189 1.00 0.00 C ATOM 975 O GLN A 64 -3.071 11.731 -5.295 1.00 0.00 O ATOM 976 CB GLN A 64 -5.319 12.917 -7.548 1.00 0.00 C ATOM 977 CG GLN A 64 -5.168 14.341 -8.086 1.00 0.00 C ATOM 978 CD GLN A 64 -6.110 14.583 -9.268 1.00 0.00 C ATOM 979 OE1 GLN A 64 -7.203 14.047 -9.343 1.00 0.00 O ATOM 980 NE2 GLN A 64 -5.626 15.418 -10.183 1.00 0.00 N ATOM 0 H GLN A 64 -4.547 11.301 -9.265 1.00 0.00 H new ATOM 0 HA GLN A 64 -3.190 12.983 -7.459 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.991 12.350 -8.192 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.774 12.945 -6.558 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.382 15.058 -7.293 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.137 14.509 -8.398 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.702 15.832 -10.058 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.179 15.644 -11.010 1.00 0.00 H new ATOM 989 N ASN A 65 -4.621 10.316 -6.138 1.00 0.00 N ATOM 990 CA ASN A 65 -4.613 9.440 -4.979 1.00 0.00 C ATOM 991 C ASN A 65 -3.209 8.861 -4.793 1.00 0.00 C ATOM 992 O ASN A 65 -2.732 8.729 -3.667 1.00 0.00 O ATOM 993 CB ASN A 65 -5.584 8.272 -5.165 1.00 0.00 C ATOM 994 CG ASN A 65 -6.903 8.535 -4.434 1.00 0.00 C ATOM 995 OD1 ASN A 65 -7.137 9.600 -3.885 1.00 0.00 O ATOM 996 ND2 ASN A 65 -7.748 7.509 -4.457 1.00 0.00 N ATOM 0 H ASN A 65 -5.260 10.034 -6.881 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.915 10.026 -4.111 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.777 8.120 -6.227 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -5.132 7.355 -4.788 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.655 7.585 -3.997 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.489 6.646 -4.935 1.00 0.00 H new ATOM 1003 N LEU A 66 -2.586 8.531 -5.915 1.00 0.00 N ATOM 1004 CA LEU A 66 -1.246 7.969 -5.890 1.00 0.00 C ATOM 1005 C LEU A 66 -0.281 8.989 -5.281 1.00 0.00 C ATOM 1006 O LEU A 66 0.309 8.740 -4.231 1.00 0.00 O ATOM 1007 CB LEU A 66 -0.838 7.494 -7.286 1.00 0.00 C ATOM 1008 CG LEU A 66 -1.708 6.396 -7.902 1.00 0.00 C ATOM 1009 CD1 LEU A 66 -1.369 6.193 -9.380 1.00 0.00 C ATOM 1010 CD2 LEU A 66 -1.596 5.096 -7.104 1.00 0.00 C ATOM 0 H LEU A 66 -2.984 8.642 -6.847 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.216 7.083 -5.256 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.844 8.353 -7.957 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.189 7.133 -7.239 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.749 6.716 -7.852 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.001 5.407 -9.794 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.542 7.122 -9.924 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.322 5.905 -9.477 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.224 4.332 -7.563 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.559 4.759 -7.100 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.925 5.269 -6.079 1.00 0.00 H new ATOM 1022 N GLU A 67 -0.152 10.115 -5.966 1.00 0.00 N ATOM 1023 CA GLU A 67 0.731 11.174 -5.506 1.00 0.00 C ATOM 1024 C GLU A 67 0.692 11.271 -3.979 1.00 0.00 C ATOM 1025 O GLU A 67 1.700 11.585 -3.348 1.00 0.00 O ATOM 1026 CB GLU A 67 0.364 12.513 -6.150 1.00 0.00 C ATOM 1027 CG GLU A 67 1.396 12.914 -7.206 1.00 0.00 C ATOM 1028 CD GLU A 67 1.700 14.412 -7.133 1.00 0.00 C ATOM 1029 OE1 GLU A 67 0.818 15.191 -7.553 1.00 0.00 O ATOM 1030 OE2 GLU A 67 2.809 14.743 -6.659 1.00 0.00 O ATOM 0 H GLU A 67 -0.644 10.318 -6.836 1.00 0.00 H new ATOM 0 HA GLU A 67 1.749 10.929 -5.810 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.622 12.442 -6.609 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.304 13.285 -5.383 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.314 12.345 -7.057 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.023 12.663 -8.199 1.00 0.00 H new ATOM 1037 N ARG A 68 -0.482 10.997 -3.430 1.00 0.00 N ATOM 1038 CA ARG A 68 -0.665 11.049 -1.990 1.00 0.00 C ATOM 1039 C ARG A 68 -0.001 9.841 -1.326 1.00 0.00 C ATOM 1040 O ARG A 68 0.825 9.998 -0.429 1.00 0.00 O ATOM 1041 CB ARG A 68 -2.151 11.071 -1.624 1.00 0.00 C ATOM 1042 CG ARG A 68 -2.851 12.281 -2.245 1.00 0.00 C ATOM 1043 CD ARG A 68 -4.364 12.065 -2.311 1.00 0.00 C ATOM 1044 NE ARG A 68 -5.055 13.063 -1.465 1.00 0.00 N ATOM 1045 CZ ARG A 68 -5.364 14.304 -1.866 1.00 0.00 C ATOM 1046 NH1 ARG A 68 -5.046 14.706 -3.104 1.00 0.00 N ATOM 1047 NH2 ARG A 68 -5.992 15.142 -1.030 1.00 0.00 N ATOM 0 H ARG A 68 -1.316 10.738 -3.957 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.200 11.967 -1.630 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.628 10.154 -1.969 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.262 11.099 -0.540 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.633 13.173 -1.658 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.461 12.456 -3.248 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.707 12.150 -3.342 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.611 11.058 -1.975 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.312 12.789 -0.517 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.569 14.068 -3.741 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.281 15.650 -3.410 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.235 14.836 -0.088 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.227 16.086 -1.336 1.00 0.00 H new ATOM 1061 N ILE A 69 -0.388 8.663 -1.793 1.00 0.00 N ATOM 1062 CA ILE A 69 0.160 7.429 -1.255 1.00 0.00 C ATOM 1063 C ILE A 69 1.676 7.570 -1.110 1.00 0.00 C ATOM 1064 O ILE A 69 2.199 7.576 0.004 1.00 0.00 O ATOM 1065 CB ILE A 69 -0.268 6.235 -2.112 1.00 0.00 C ATOM 1066 CG1 ILE A 69 -1.712 5.832 -1.808 1.00 0.00 C ATOM 1067 CG2 ILE A 69 0.702 5.064 -1.943 1.00 0.00 C ATOM 1068 CD1 ILE A 69 -2.482 5.540 -3.098 1.00 0.00 C ATOM 0 H ILE A 69 -1.074 8.537 -2.537 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.239 7.237 -0.259 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.231 6.535 -3.159 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.720 4.950 -1.168 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.208 6.631 -1.257 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.375 4.229 -2.562 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.702 5.373 -2.248 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.721 4.755 -0.898 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.506 5.256 -2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.492 6.431 -3.725 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.997 4.725 -3.635 1.00 0.00 H new ATOM 1080 N LEU A 70 2.341 7.679 -2.251 1.00 0.00 N ATOM 1081 CA LEU A 70 3.787 7.820 -2.265 1.00 0.00 C ATOM 1082 C LEU A 70 4.202 8.875 -1.238 1.00 0.00 C ATOM 1083 O LEU A 70 5.305 8.820 -0.697 1.00 0.00 O ATOM 1084 CB LEU A 70 4.283 8.112 -3.682 1.00 0.00 C ATOM 1085 CG LEU A 70 3.883 7.097 -4.755 1.00 0.00 C ATOM 1086 CD1 LEU A 70 4.227 7.614 -6.154 1.00 0.00 C ATOM 1087 CD2 LEU A 70 4.511 5.730 -4.479 1.00 0.00 C ATOM 0 H LEU A 70 1.905 7.672 -3.173 1.00 0.00 H new ATOM 0 HA LEU A 70 4.264 6.885 -1.972 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.912 9.092 -3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.371 8.177 -3.659 1.00 0.00 H new ATOM 0 HG LEU A 70 2.801 6.968 -4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.933 6.874 -6.898 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.693 8.546 -6.339 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.300 7.791 -6.223 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.210 5.028 -5.257 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.597 5.823 -4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.174 5.364 -3.509 1.00 0.00 H new ATOM 1099 N ALA A 71 3.296 9.813 -1.001 1.00 0.00 N ATOM 1100 CA ALA A 71 3.555 10.880 -0.049 1.00 0.00 C ATOM 1101 C ALA A 71 3.625 10.292 1.362 1.00 0.00 C ATOM 1102 O ALA A 71 4.603 10.503 2.078 1.00 0.00 O ATOM 1103 CB ALA A 71 2.474 11.954 -0.180 1.00 0.00 C ATOM 0 H ALA A 71 2.382 9.856 -1.452 1.00 0.00 H new ATOM 0 HA ALA A 71 4.514 11.356 -0.256 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.668 12.754 0.534 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.485 12.360 -1.192 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.498 11.514 0.024 1.00 0.00 H new ATOM 1109 N VAL A 72 2.575 9.567 1.719 1.00 0.00 N ATOM 1110 CA VAL A 72 2.505 8.948 3.032 1.00 0.00 C ATOM 1111 C VAL A 72 3.079 7.532 2.954 1.00 0.00 C ATOM 1112 O VAL A 72 2.799 6.696 3.812 1.00 0.00 O ATOM 1113 CB VAL A 72 1.066 8.982 3.551 1.00 0.00 C ATOM 1114 CG1 VAL A 72 0.624 10.416 3.845 1.00 0.00 C ATOM 1115 CG2 VAL A 72 0.112 8.305 2.565 1.00 0.00 C ATOM 0 H VAL A 72 1.766 9.394 1.122 1.00 0.00 H new ATOM 0 HA VAL A 72 3.108 9.505 3.749 1.00 0.00 H new ATOM 0 HB VAL A 72 1.033 8.423 4.486 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.402 10.412 4.212 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.278 10.851 4.601 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.680 11.009 2.932 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.904 8.343 2.958 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.150 8.824 1.607 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.409 7.265 2.427 1.00 0.00 H new ATOM 1125 N ALA A 73 3.872 7.305 1.916 1.00 0.00 N ATOM 1126 CA ALA A 73 4.487 6.004 1.715 1.00 0.00 C ATOM 1127 C ALA A 73 5.130 5.541 3.024 1.00 0.00 C ATOM 1128 O ALA A 73 5.262 4.342 3.265 1.00 0.00 O ATOM 1129 CB ALA A 73 5.497 6.089 0.569 1.00 0.00 C ATOM 0 H ALA A 73 4.102 8.000 1.206 1.00 0.00 H new ATOM 0 HA ALA A 73 3.737 5.264 1.436 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.959 5.113 0.418 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.986 6.394 -0.344 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.267 6.820 0.816 1.00 0.00 H new ATOM 1135 N ASP A 74 5.512 6.516 3.836 1.00 0.00 N ATOM 1136 CA ASP A 74 6.137 6.223 5.115 1.00 0.00 C ATOM 1137 C ASP A 74 5.071 5.739 6.100 1.00 0.00 C ATOM 1138 O ASP A 74 5.308 4.808 6.869 1.00 0.00 O ATOM 1139 CB ASP A 74 6.794 7.472 5.705 1.00 0.00 C ATOM 1140 CG ASP A 74 8.254 7.295 6.130 1.00 0.00 C ATOM 1141 OD1 ASP A 74 9.123 7.421 5.241 1.00 0.00 O ATOM 1142 OD2 ASP A 74 8.467 7.037 7.334 1.00 0.00 O ATOM 0 H ASP A 74 5.401 7.509 3.633 1.00 0.00 H new ATOM 0 HA ASP A 74 6.897 5.458 4.952 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.740 8.275 4.969 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.216 7.794 6.571 1.00 0.00 H new ATOM 1147 N LYS A 75 3.920 6.393 6.045 1.00 0.00 N ATOM 1148 CA LYS A 75 2.817 6.041 6.923 1.00 0.00 C ATOM 1149 C LYS A 75 2.377 4.605 6.632 1.00 0.00 C ATOM 1150 O LYS A 75 2.245 3.794 7.547 1.00 0.00 O ATOM 1151 CB LYS A 75 1.688 7.067 6.803 1.00 0.00 C ATOM 1152 CG LYS A 75 2.221 8.491 6.974 1.00 0.00 C ATOM 1153 CD LYS A 75 1.680 9.128 8.256 1.00 0.00 C ATOM 1154 CE LYS A 75 1.974 10.629 8.287 1.00 0.00 C ATOM 1155 NZ LYS A 75 1.885 11.146 9.671 1.00 0.00 N ATOM 0 H LYS A 75 3.727 7.165 5.406 1.00 0.00 H new ATOM 0 HA LYS A 75 3.135 6.072 7.965 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.205 6.970 5.831 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.928 6.866 7.558 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.310 8.474 7.004 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.935 9.096 6.114 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.605 8.963 8.323 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.131 8.647 9.124 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.969 10.819 7.885 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.266 11.158 7.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.087 12.166 9.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.927 10.982 10.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.578 10.654 10.271 1.00 0.00 H new ATOM 1169 N ILE A 76 2.161 4.334 5.353 1.00 0.00 N ATOM 1170 CA ILE A 76 1.738 3.010 4.929 1.00 0.00 C ATOM 1171 C ILE A 76 2.549 1.955 5.683 1.00 0.00 C ATOM 1172 O ILE A 76 3.776 2.026 5.730 1.00 0.00 O ATOM 1173 CB ILE A 76 1.826 2.882 3.407 1.00 0.00 C ATOM 1174 CG1 ILE A 76 0.815 3.803 2.719 1.00 0.00 C ATOM 1175 CG2 ILE A 76 1.663 1.425 2.969 1.00 0.00 C ATOM 1176 CD1 ILE A 76 1.270 4.154 1.301 1.00 0.00 C ATOM 0 H ILE A 76 2.271 5.009 4.596 1.00 0.00 H new ATOM 0 HA ILE A 76 0.690 2.846 5.180 1.00 0.00 H new ATOM 0 HB ILE A 76 2.820 3.204 3.095 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.160 3.316 2.682 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.693 4.716 3.302 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.730 1.362 1.883 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.452 0.820 3.417 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.692 1.054 3.295 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.534 4.809 0.834 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.233 4.662 1.343 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.367 3.241 0.714 1.00 0.00 H new ATOM 1188 N LYS A 77 1.831 0.999 6.254 1.00 0.00 N ATOM 1189 CA LYS A 77 2.469 -0.069 7.004 1.00 0.00 C ATOM 1190 C LYS A 77 1.782 -1.397 6.675 1.00 0.00 C ATOM 1191 O LYS A 77 0.593 -1.567 6.938 1.00 0.00 O ATOM 1192 CB LYS A 77 2.486 0.260 8.498 1.00 0.00 C ATOM 1193 CG LYS A 77 3.234 -0.816 9.288 1.00 0.00 C ATOM 1194 CD LYS A 77 3.554 -0.333 10.704 1.00 0.00 C ATOM 1195 CE LYS A 77 4.943 -0.803 11.142 1.00 0.00 C ATOM 1196 NZ LYS A 77 4.831 -1.910 12.118 1.00 0.00 N ATOM 0 H LYS A 77 0.813 0.942 6.212 1.00 0.00 H new ATOM 0 HA LYS A 77 3.514 -0.168 6.712 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.961 1.228 8.655 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.464 0.343 8.867 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.630 -1.722 9.337 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.158 -1.076 8.771 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.506 0.755 10.741 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.803 -0.709 11.399 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.513 -1.132 10.273 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.491 0.028 11.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.782 -2.217 12.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.305 -1.584 12.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.326 -2.708 11.682 1.00 0.00 H new ATOM 1210 N PHE A 78 2.562 -2.304 6.104 1.00 0.00 N ATOM 1211 CA PHE A 78 2.044 -3.611 5.737 1.00 0.00 C ATOM 1212 C PHE A 78 2.226 -4.613 6.878 1.00 0.00 C ATOM 1213 O PHE A 78 3.151 -4.487 7.679 1.00 0.00 O ATOM 1214 CB PHE A 78 2.847 -4.085 4.524 1.00 0.00 C ATOM 1215 CG PHE A 78 2.349 -3.526 3.190 1.00 0.00 C ATOM 1216 CD1 PHE A 78 2.118 -2.193 3.056 1.00 0.00 C ATOM 1217 CD2 PHE A 78 2.137 -4.362 2.139 1.00 0.00 C ATOM 1218 CE1 PHE A 78 1.655 -1.674 1.818 1.00 0.00 C ATOM 1219 CE2 PHE A 78 1.675 -3.843 0.901 1.00 0.00 C ATOM 1220 CZ PHE A 78 1.444 -2.510 0.766 1.00 0.00 C ATOM 0 H PHE A 78 3.548 -2.159 5.887 1.00 0.00 H new ATOM 0 HA PHE A 78 0.979 -3.541 5.518 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.891 -3.800 4.658 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.816 -5.174 4.484 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.287 -1.529 3.891 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.320 -5.421 2.246 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.470 -0.615 1.712 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.507 -4.507 0.066 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.093 -2.115 -0.176 1.00 0.00 H new ATOM 1230 N THR A 79 1.328 -5.587 6.917 1.00 0.00 N ATOM 1231 CA THR A 79 1.377 -6.610 7.947 1.00 0.00 C ATOM 1232 C THR A 79 1.430 -8.002 7.314 1.00 0.00 C ATOM 1233 O THR A 79 0.593 -8.340 6.478 1.00 0.00 O ATOM 1234 CB THR A 79 0.176 -6.409 8.872 1.00 0.00 C ATOM 1235 OG1 THR A 79 0.211 -5.020 9.189 1.00 0.00 O ATOM 1236 CG2 THR A 79 0.354 -7.104 10.224 1.00 0.00 C ATOM 0 H THR A 79 0.562 -5.689 6.251 1.00 0.00 H new ATOM 0 HA THR A 79 2.284 -6.524 8.546 1.00 0.00 H new ATOM 0 HB THR A 79 -0.723 -6.787 8.386 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.536 -4.802 9.785 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.527 -6.929 10.842 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.482 -8.175 10.068 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.234 -6.703 10.726 1.00 0.00 H new ATOM 1244 N VAL A 80 2.422 -8.772 7.736 1.00 0.00 N ATOM 1245 CA VAL A 80 2.594 -10.120 7.221 1.00 0.00 C ATOM 1246 C VAL A 80 2.501 -11.119 8.376 1.00 0.00 C ATOM 1247 O VAL A 80 3.122 -10.927 9.420 1.00 0.00 O ATOM 1248 CB VAL A 80 3.912 -10.220 6.449 1.00 0.00 C ATOM 1249 CG1 VAL A 80 4.194 -11.665 6.031 1.00 0.00 C ATOM 1250 CG2 VAL A 80 3.908 -9.289 5.235 1.00 0.00 C ATOM 0 H VAL A 80 3.115 -8.488 8.429 1.00 0.00 H new ATOM 0 HA VAL A 80 1.799 -10.364 6.516 1.00 0.00 H new ATOM 0 HB VAL A 80 4.715 -9.901 7.113 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.136 -11.708 5.484 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.260 -12.294 6.919 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.387 -12.023 5.392 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.856 -9.379 4.704 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.091 -9.564 4.568 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.775 -8.259 5.567 1.00 0.00 H new