USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 817 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 18 CYS SG : rot 51:sc= 1.21 USER MOD Set 1.2: A 79 TYR OH : rot -163:sc= -2.89! USER MOD Set 1.3: A 104 LYS NZ :NH3+ 160:sc= 2.75 (180deg=0.761) USER MOD Set 2.1: A 38 ASN : amide:sc= -0.133 K(o=0.72,f=-3.5) USER MOD Set 2.2: A 45 ASN : amide:sc= 0.175 K(o=0.72,f=-3.5) USER MOD Set 2.3: A 49 ASN : amide:sc= 0.675 K(o=0.72,f=0.027) USER MOD Single : A 7 LYS NZ :NH3+ -156:sc= -0.0222 (180deg=-0.321) USER MOD Single : A 9 HIS : no HD1:sc=-0.00761 X(o=-0.0076,f=-0.0064) USER MOD Single : A 13 GLN : amide:sc= -0.973 X(o=-0.97,f=-1.5) USER MOD Single : A 15 LYS NZ :NH3+ -159:sc= 1.15 (180deg=0.95) USER MOD Single : A 20 SER OG : rot 78:sc= 1.27 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 73:sc= -1.14! USER MOD Single : A 41 THR OG1 : rot 92:sc= 1.23 USER MOD Single : A 42 SER OG : rot -97:sc= 0.733 USER MOD Single : A 47 GLN : amide:sc= -0.714 K(o=-0.71,f=0) USER MOD Single : A 54 HIS : no HD1:sc= -0.0427 X(o=-0.043,f=0) USER MOD Single : A 57 SER OG : rot 80:sc= 1.14 USER MOD Single : A 60 MET CE :methyl -111:sc= -2.32 (180deg=-6.42!) USER MOD Single : A 61 SER OG : rot 64:sc= 1.36 USER MOD Single : A 63 LYS NZ :NH3+ 147:sc= 1.17 (180deg=0.949) USER MOD Single : A 65 LYS NZ :NH3+ -169:sc= 0.711 (180deg=0.299) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -56:sc= 0.0789 USER MOD Single : A 83 THR OG1 : rot -11:sc= 1.89 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 68:sc= 0.738 USER MOD Single : A 88 SER OG : rot 77:sc= 1.12 USER MOD Single : A 89 SER OG : rot 59:sc= 1.25 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= 0.549 K(o=0.55,f=0) USER MOD Single : A 98 GLN : amide:sc= -0.482 K(o=-0.48,f=-2.2!) USER MOD Single : A 101 GLN : amide:sc= -0.562 K(o=-0.56,f=-2.8!) USER MOD Single : A 102 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0286) USER MOD Single : A 103 THR OG1 : rot 144:sc= 1.29 USER MOD Single : A 112 SER OG : rot 79:sc= 0.409 USER MOD Single : A 115 TYR OH : rot 97:sc= 1.2 USER MOD Single : A 117 SER OG : rot 180:sc= -0.28 USER MOD ----------------------------------------------------------------- ATOM 91 N LYS A 7 -7.936 -16.067 -4.128 1.00 0.00 N ATOM 92 CA LYS A 7 -6.619 -15.532 -4.564 1.00 0.00 C ATOM 93 C LYS A 7 -6.762 -14.236 -5.363 1.00 0.00 C ATOM 94 O LYS A 7 -6.167 -13.217 -5.016 1.00 0.00 O ATOM 95 CB LYS A 7 -5.841 -16.564 -5.414 1.00 0.00 C ATOM 96 CG LYS A 7 -5.649 -17.939 -4.762 1.00 0.00 C ATOM 97 CD LYS A 7 -5.125 -18.961 -5.780 1.00 0.00 C ATOM 98 CE LYS A 7 -5.871 -20.297 -5.694 1.00 0.00 C ATOM 99 NZ LYS A 7 -5.945 -20.821 -4.297 1.00 0.00 N ATOM 0 HA LYS A 7 -6.061 -15.322 -3.652 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.364 -16.699 -6.361 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.860 -16.151 -5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.949 -17.857 -3.930 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.596 -18.285 -4.348 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.226 -18.554 -6.786 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.062 -19.129 -5.610 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.880 -20.172 -6.086 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.372 -21.030 -6.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.072 -21.853 -4.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.065 -20.592 -3.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.750 -20.384 -3.804 1.00 0.00 H new ATOM 113 N ARG A 8 -7.542 -14.289 -6.442 1.00 0.00 N ATOM 114 CA ARG A 8 -7.742 -13.124 -7.295 1.00 0.00 C ATOM 115 C ARG A 8 -8.384 -11.978 -6.524 1.00 0.00 C ATOM 116 O ARG A 8 -7.910 -10.846 -6.609 1.00 0.00 O ATOM 117 CB ARG A 8 -8.561 -13.497 -8.536 1.00 0.00 C ATOM 118 CG ARG A 8 -8.793 -12.356 -9.527 1.00 0.00 C ATOM 119 CD ARG A 8 -10.200 -12.419 -10.115 1.00 0.00 C ATOM 120 NE ARG A 8 -10.233 -12.613 -11.585 1.00 0.00 N ATOM 121 CZ ARG A 8 -9.875 -13.752 -12.244 1.00 0.00 C ATOM 122 NH1 ARG A 8 -9.237 -14.724 -11.597 1.00 0.00 N ATOM 123 NH2 ARG A 8 -10.143 -13.886 -13.541 1.00 0.00 N ATOM 0 H ARG A 8 -8.043 -15.125 -6.743 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.765 -12.778 -7.631 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.055 -14.311 -9.055 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.529 -13.879 -8.212 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -8.647 -11.399 -9.026 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.057 -12.411 -10.329 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.745 -13.234 -9.639 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.727 -11.497 -9.869 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.551 -11.827 -12.152 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.015 -14.618 -10.607 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.970 -15.575 -12.091 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -10.617 -13.136 -14.044 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.874 -14.739 -14.032 1.00 0.00 H new ATOM 137 N HIS A 9 -9.433 -12.276 -5.751 1.00 0.00 N ATOM 138 CA HIS A 9 -10.110 -11.254 -4.937 1.00 0.00 C ATOM 139 C HIS A 9 -9.123 -10.560 -4.023 1.00 0.00 C ATOM 140 O HIS A 9 -9.046 -9.324 -4.020 1.00 0.00 O ATOM 141 CB HIS A 9 -11.232 -11.854 -4.083 1.00 0.00 C ATOM 142 CG HIS A 9 -12.461 -12.206 -4.849 1.00 0.00 C ATOM 143 ND1 HIS A 9 -13.736 -11.997 -4.374 1.00 0.00 N ATOM 144 CD2 HIS A 9 -12.605 -12.772 -6.059 1.00 0.00 C ATOM 145 CE1 HIS A 9 -14.609 -12.426 -5.271 1.00 0.00 C ATOM 146 NE2 HIS A 9 -13.948 -12.900 -6.301 1.00 0.00 N ATOM 0 H HIS A 9 -9.832 -13.211 -5.670 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.545 -10.536 -5.633 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -10.857 -12.750 -3.588 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -11.497 -11.144 -3.300 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -11.807 -13.072 -6.721 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -15.684 -12.392 -5.172 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -14.365 -13.298 -7.143 1.00 0.00 H new ATOM 155 N ASP A 10 -8.374 -11.355 -3.249 1.00 0.00 N ATOM 156 CA ASP A 10 -7.389 -10.817 -2.301 1.00 0.00 C ATOM 157 C ASP A 10 -6.313 -10.039 -3.024 1.00 0.00 C ATOM 158 O ASP A 10 -6.058 -8.880 -2.695 1.00 0.00 O ATOM 159 CB ASP A 10 -6.772 -11.931 -1.443 1.00 0.00 C ATOM 160 CG ASP A 10 -7.708 -12.409 -0.378 1.00 0.00 C ATOM 161 OD1 ASP A 10 -8.123 -11.607 0.463 1.00 0.00 O ATOM 162 OD2 ASP A 10 -8.049 -13.606 -0.360 1.00 0.00 O ATOM 0 H ASP A 10 -8.431 -12.373 -3.260 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.913 -10.134 -1.633 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.495 -12.769 -2.083 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.855 -11.566 -0.981 1.00 0.00 H new ATOM 167 N VAL A 11 -5.719 -10.646 -4.057 1.00 0.00 N ATOM 168 CA VAL A 11 -4.727 -9.948 -4.882 1.00 0.00 C ATOM 169 C VAL A 11 -5.338 -8.622 -5.371 1.00 0.00 C ATOM 170 O VAL A 11 -4.785 -7.537 -5.118 1.00 0.00 O ATOM 171 CB VAL A 11 -4.281 -10.822 -6.104 1.00 0.00 C ATOM 172 CG1 VAL A 11 -3.475 -10.020 -7.117 1.00 0.00 C ATOM 173 CG2 VAL A 11 -3.477 -12.024 -5.633 1.00 0.00 C ATOM 0 H VAL A 11 -5.905 -11.608 -4.340 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.839 -9.754 -4.280 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.188 -11.167 -6.601 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.187 -10.666 -7.946 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.080 -9.195 -7.493 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.580 -9.624 -6.638 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.175 -12.620 -6.494 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.590 -11.682 -5.100 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.089 -12.633 -4.967 1.00 0.00 H new ATOM 183 N ALA A 12 -6.522 -8.719 -6.011 1.00 0.00 N ATOM 184 CA ALA A 12 -7.261 -7.546 -6.481 1.00 0.00 C ATOM 185 C ALA A 12 -7.416 -6.527 -5.357 1.00 0.00 C ATOM 186 O ALA A 12 -7.152 -5.338 -5.563 1.00 0.00 O ATOM 187 CB ALA A 12 -8.629 -7.942 -7.029 1.00 0.00 C ATOM 0 H ALA A 12 -6.982 -9.607 -6.211 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.690 -7.091 -7.290 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.156 -7.051 -7.371 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.501 -8.631 -7.864 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.209 -8.427 -6.244 1.00 0.00 H new ATOM 193 N GLN A 13 -7.805 -7.010 -4.167 1.00 0.00 N ATOM 194 CA GLN A 13 -7.942 -6.169 -2.973 1.00 0.00 C ATOM 195 C GLN A 13 -6.610 -5.474 -2.670 1.00 0.00 C ATOM 196 O GLN A 13 -6.552 -4.251 -2.566 1.00 0.00 O ATOM 197 CB GLN A 13 -8.362 -7.020 -1.752 1.00 0.00 C ATOM 198 CG GLN A 13 -9.819 -7.483 -1.745 1.00 0.00 C ATOM 199 CD GLN A 13 -10.011 -8.754 -0.922 1.00 0.00 C ATOM 200 OE1 GLN A 13 -10.676 -9.696 -1.359 1.00 0.00 O ATOM 201 NE2 GLN A 13 -9.439 -8.789 0.268 1.00 0.00 N ATOM 0 H GLN A 13 -8.032 -7.992 -4.008 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.712 -5.422 -3.166 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.719 -7.899 -1.705 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.178 -6.441 -0.847 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.449 -6.691 -1.341 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.148 -7.661 -2.769 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.896 -7.990 0.597 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.540 -9.615 0.858 1.00 0.00 H new ATOM 210 N LEU A 14 -5.533 -6.271 -2.573 1.00 0.00 N ATOM 211 CA LEU A 14 -4.183 -5.744 -2.311 1.00 0.00 C ATOM 212 C LEU A 14 -3.831 -4.669 -3.335 1.00 0.00 C ATOM 213 O LEU A 14 -3.452 -3.539 -2.971 1.00 0.00 O ATOM 214 CB LEU A 14 -3.135 -6.886 -2.348 1.00 0.00 C ATOM 215 CG LEU A 14 -1.907 -6.781 -1.400 1.00 0.00 C ATOM 216 CD1 LEU A 14 -1.912 -5.495 -0.579 1.00 0.00 C ATOM 217 CD2 LEU A 14 -1.833 -7.994 -0.482 1.00 0.00 C ATOM 0 H LEU A 14 -5.571 -7.285 -2.672 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.172 -5.300 -1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.651 -7.820 -2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.763 -6.964 -3.369 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.020 -6.756 -2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.034 -5.472 0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.893 -4.635 -1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.813 -5.458 0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.967 -7.902 0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.740 -8.050 0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.739 -8.899 -1.082 1.00 0.00 H new ATOM 229 N LYS A 15 -4.006 -5.015 -4.614 1.00 0.00 N ATOM 230 CA LYS A 15 -3.767 -4.094 -5.716 1.00 0.00 C ATOM 231 C LYS A 15 -4.602 -2.825 -5.521 1.00 0.00 C ATOM 232 O LYS A 15 -4.056 -1.723 -5.415 1.00 0.00 O ATOM 233 CB LYS A 15 -4.122 -4.772 -7.059 1.00 0.00 C ATOM 234 CG LYS A 15 -3.887 -3.910 -8.300 1.00 0.00 C ATOM 235 CD LYS A 15 -4.007 -4.738 -9.582 1.00 0.00 C ATOM 236 CE LYS A 15 -5.318 -4.460 -10.331 1.00 0.00 C ATOM 237 NZ LYS A 15 -5.347 -3.120 -10.986 1.00 0.00 N ATOM 0 H LYS A 15 -4.317 -5.941 -4.908 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.712 -3.821 -5.733 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.536 -5.686 -7.154 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.171 -5.067 -7.034 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.610 -3.095 -8.322 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.897 -3.456 -8.249 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.163 -4.517 -10.236 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.950 -5.798 -9.335 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.467 -5.230 -11.087 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.151 -4.534 -9.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.333 -2.840 -11.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.893 -2.420 -10.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.835 -3.164 -11.890 1.00 0.00 H new ATOM 251 N PHE A 16 -5.927 -2.998 -5.440 1.00 0.00 N ATOM 252 CA PHE A 16 -6.847 -1.873 -5.256 1.00 0.00 C ATOM 253 C PHE A 16 -6.488 -1.038 -4.035 1.00 0.00 C ATOM 254 O PHE A 16 -6.546 0.184 -4.100 1.00 0.00 O ATOM 255 CB PHE A 16 -8.309 -2.332 -5.185 1.00 0.00 C ATOM 256 CG PHE A 16 -9.280 -1.281 -5.639 1.00 0.00 C ATOM 257 CD1 PHE A 16 -9.203 -0.754 -6.918 1.00 0.00 C ATOM 258 CD2 PHE A 16 -10.264 -0.813 -4.785 1.00 0.00 C ATOM 259 CE1 PHE A 16 -10.087 0.217 -7.334 1.00 0.00 C ATOM 260 CE2 PHE A 16 -11.152 0.158 -5.198 1.00 0.00 C ATOM 261 CZ PHE A 16 -11.063 0.674 -6.475 1.00 0.00 C ATOM 0 H PHE A 16 -6.385 -3.908 -5.499 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.738 -1.241 -6.137 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.434 -3.223 -5.800 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -8.545 -2.617 -4.160 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -8.441 -1.109 -7.597 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -10.337 -1.213 -3.784 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -10.015 0.620 -8.333 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -11.916 0.514 -4.523 1.00 0.00 H new ATOM 0 HZ PHE A 16 -11.757 1.435 -6.801 1.00 0.00 H new ATOM 271 N LEU A 17 -6.105 -1.682 -2.930 1.00 0.00 N ATOM 272 CA LEU A 17 -5.698 -0.944 -1.728 1.00 0.00 C ATOM 273 C LEU A 17 -4.485 -0.056 -2.051 1.00 0.00 C ATOM 274 O LEU A 17 -4.478 1.152 -1.752 1.00 0.00 O ATOM 275 CB LEU A 17 -5.359 -1.907 -0.568 1.00 0.00 C ATOM 276 CG LEU A 17 -6.455 -2.111 0.505 1.00 0.00 C ATOM 277 CD1 LEU A 17 -6.977 -0.777 1.029 1.00 0.00 C ATOM 278 CD2 LEU A 17 -7.599 -2.956 -0.035 1.00 0.00 C ATOM 0 H LEU A 17 -6.068 -2.697 -2.840 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.532 -0.318 -1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.113 -2.880 -0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.460 -1.540 -0.072 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.999 -2.644 1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.745 -0.957 1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.157 -0.215 1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.403 -0.204 0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.355 -3.083 0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.043 -2.458 -0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.220 -3.933 -0.336 1.00 0.00 H new ATOM 290 N CYS A 18 -3.477 -0.653 -2.714 1.00 0.00 N ATOM 291 CA CYS A 18 -2.267 0.079 -3.134 1.00 0.00 C ATOM 292 C CYS A 18 -2.623 1.202 -4.121 1.00 0.00 C ATOM 293 O CYS A 18 -2.073 2.329 -4.028 1.00 0.00 O ATOM 294 CB CYS A 18 -1.251 -0.883 -3.782 1.00 0.00 C ATOM 295 SG CYS A 18 0.449 -0.264 -3.841 1.00 0.00 S ATOM 0 H CYS A 18 -3.476 -1.640 -2.970 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.818 0.524 -2.246 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.261 -1.824 -3.232 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.578 -1.104 -4.798 1.00 0.00 H new ATOM 0 HG CYS A 18 0.802 0.149 -2.660 1.00 0.00 H new ATOM 301 N GLU A 19 -3.491 0.883 -5.081 1.00 0.00 N ATOM 302 CA GLU A 19 -3.914 1.826 -6.119 1.00 0.00 C ATOM 303 C GLU A 19 -4.801 2.939 -5.542 1.00 0.00 C ATOM 304 O GLU A 19 -4.482 4.126 -5.695 1.00 0.00 O ATOM 305 CB GLU A 19 -4.616 1.069 -7.259 1.00 0.00 C ATOM 306 CG GLU A 19 -3.705 0.043 -7.934 1.00 0.00 C ATOM 307 CD GLU A 19 -3.889 -0.042 -9.414 1.00 0.00 C ATOM 308 OE1 GLU A 19 -3.722 0.965 -10.105 1.00 0.00 O ATOM 309 OE2 GLU A 19 -4.165 -1.135 -9.899 1.00 0.00 O ATOM 0 H GLU A 19 -3.922 -0.038 -5.162 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.029 2.314 -6.527 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.497 0.563 -6.865 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.965 1.784 -8.004 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.667 0.296 -7.720 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.891 -0.938 -7.497 1.00 0.00 H new ATOM 316 N SER A 20 -5.851 2.554 -4.802 1.00 0.00 N ATOM 317 CA SER A 20 -6.740 3.521 -4.129 1.00 0.00 C ATOM 318 C SER A 20 -5.918 4.468 -3.250 1.00 0.00 C ATOM 319 O SER A 20 -5.972 5.692 -3.410 1.00 0.00 O ATOM 320 CB SER A 20 -7.807 2.807 -3.263 1.00 0.00 C ATOM 321 OG SER A 20 -8.593 1.864 -4.018 1.00 0.00 O ATOM 0 H SER A 20 -6.108 1.578 -4.652 1.00 0.00 H new ATOM 0 HA SER A 20 -7.255 4.090 -4.903 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.314 2.288 -2.441 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.467 3.552 -2.819 1.00 0.00 H new ATOM 0 HG SER A 20 -8.075 1.044 -4.157 1.00 0.00 H new ATOM 327 N LEU A 21 -5.108 3.888 -2.348 1.00 0.00 N ATOM 328 CA LEU A 21 -4.256 4.687 -1.469 1.00 0.00 C ATOM 329 C LEU A 21 -3.292 5.566 -2.240 1.00 0.00 C ATOM 330 O LEU A 21 -2.864 6.584 -1.729 1.00 0.00 O ATOM 331 CB LEU A 21 -3.490 3.833 -0.484 1.00 0.00 C ATOM 332 CG LEU A 21 -3.003 4.574 0.776 1.00 0.00 C ATOM 333 CD1 LEU A 21 -3.162 3.725 2.006 1.00 0.00 C ATOM 334 CD2 LEU A 21 -1.564 5.033 0.628 1.00 0.00 C ATOM 0 H LEU A 21 -5.030 2.880 -2.214 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.936 5.332 -0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.124 3.002 -0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.626 3.404 -0.992 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.629 5.459 0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.809 4.277 2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.213 3.470 2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.579 2.811 1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.253 5.552 1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.921 4.168 0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.484 5.709 -0.223 1.00 0.00 H new ATOM 346 N TYR A 22 -2.935 5.181 -3.458 1.00 0.00 N ATOM 347 CA TYR A 22 -2.037 6.015 -4.257 1.00 0.00 C ATOM 348 C TYR A 22 -2.658 7.393 -4.459 1.00 0.00 C ATOM 349 O TYR A 22 -2.006 8.411 -4.211 1.00 0.00 O ATOM 350 CB TYR A 22 -1.711 5.373 -5.619 1.00 0.00 C ATOM 351 CG TYR A 22 -0.499 5.955 -6.344 1.00 0.00 C ATOM 352 CD1 TYR A 22 0.300 6.950 -5.772 1.00 0.00 C ATOM 353 CD2 TYR A 22 -0.152 5.496 -7.604 1.00 0.00 C ATOM 354 CE1 TYR A 22 1.391 7.453 -6.436 1.00 0.00 C ATOM 355 CE2 TYR A 22 0.939 6.000 -8.272 1.00 0.00 C ATOM 356 CZ TYR A 22 1.706 6.975 -7.684 1.00 0.00 C ATOM 357 OH TYR A 22 2.795 7.473 -8.345 1.00 0.00 O ATOM 0 H TYR A 22 -3.242 4.319 -3.909 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.098 6.111 -3.711 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.545 4.306 -5.468 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.582 5.472 -6.266 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.054 7.329 -4.791 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.750 4.727 -8.071 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.998 8.221 -5.979 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.191 5.630 -9.255 1.00 0.00 H new ATOM 0 HH TYR A 22 2.881 7.029 -9.215 1.00 0.00 H new ATOM 367 N ASP A 23 -3.940 7.415 -4.824 1.00 0.00 N ATOM 368 CA ASP A 23 -4.668 8.675 -5.013 1.00 0.00 C ATOM 369 C ASP A 23 -4.809 9.418 -3.701 1.00 0.00 C ATOM 370 O ASP A 23 -4.482 10.610 -3.610 1.00 0.00 O ATOM 371 CB ASP A 23 -6.056 8.428 -5.612 1.00 0.00 C ATOM 372 CG ASP A 23 -6.491 9.546 -6.487 1.00 0.00 C ATOM 373 OD1 ASP A 23 -6.135 9.547 -7.662 1.00 0.00 O ATOM 374 OD2 ASP A 23 -7.180 10.440 -6.011 1.00 0.00 O ATOM 0 H ASP A 23 -4.497 6.578 -4.995 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.089 9.284 -5.708 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.043 7.502 -6.186 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.779 8.294 -4.808 1.00 0.00 H new ATOM 379 N GLU A 24 -5.284 8.706 -2.682 1.00 0.00 N ATOM 380 CA GLU A 24 -5.473 9.285 -1.347 1.00 0.00 C ATOM 381 C GLU A 24 -4.138 9.796 -0.786 1.00 0.00 C ATOM 382 O GLU A 24 -4.063 10.892 -0.207 1.00 0.00 O ATOM 383 CB GLU A 24 -6.118 8.267 -0.385 1.00 0.00 C ATOM 384 CG GLU A 24 -7.117 7.288 -1.038 1.00 0.00 C ATOM 385 CD GLU A 24 -8.533 7.416 -0.547 1.00 0.00 C ATOM 386 OE1 GLU A 24 -8.770 8.052 0.480 1.00 0.00 O ATOM 387 OE2 GLU A 24 -9.419 6.864 -1.199 1.00 0.00 O ATOM 0 H GLU A 24 -5.547 7.723 -2.752 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.153 10.132 -1.440 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.326 7.689 0.091 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.633 8.814 0.405 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.105 7.444 -2.117 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.775 6.268 -0.859 1.00 0.00 H new ATOM 394 N GLY A 25 -3.079 9.020 -0.996 1.00 0.00 N ATOM 395 CA GLY A 25 -1.757 9.411 -0.572 1.00 0.00 C ATOM 396 C GLY A 25 -1.330 10.688 -1.234 1.00 0.00 C ATOM 397 O GLY A 25 -0.929 11.613 -0.554 1.00 0.00 O ATOM 0 H GLY A 25 -3.121 8.113 -1.461 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.742 9.537 0.511 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.047 8.619 -0.811 1.00 0.00 H new ATOM 401 N ILE A 26 -1.488 10.777 -2.563 1.00 0.00 N ATOM 402 CA ILE A 26 -1.167 12.015 -3.278 1.00 0.00 C ATOM 403 C ILE A 26 -2.047 13.172 -2.770 1.00 0.00 C ATOM 404 O ILE A 26 -1.551 14.287 -2.563 1.00 0.00 O ATOM 405 CB ILE A 26 -1.284 11.856 -4.831 1.00 0.00 C ATOM 406 CG1 ILE A 26 -0.321 10.769 -5.326 1.00 0.00 C ATOM 407 CG2 ILE A 26 -0.976 13.173 -5.548 1.00 0.00 C ATOM 408 CD1 ILE A 26 1.142 11.107 -5.101 1.00 0.00 C ATOM 0 H ILE A 26 -1.830 10.019 -3.154 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.124 12.250 -3.068 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.310 11.568 -5.059 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.551 9.832 -4.818 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.488 10.604 -6.390 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.065 13.031 -6.625 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.682 13.938 -5.223 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.039 13.490 -5.307 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.765 10.294 -5.475 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.389 12.027 -5.631 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.324 11.243 -4.035 1.00 0.00 H new ATOM 420 N ALA A 27 -3.333 12.899 -2.521 1.00 0.00 N ATOM 421 CA ALA A 27 -4.246 13.920 -1.976 1.00 0.00 C ATOM 422 C ALA A 27 -3.770 14.412 -0.600 1.00 0.00 C ATOM 423 O ALA A 27 -3.851 15.617 -0.299 1.00 0.00 O ATOM 424 CB ALA A 27 -5.674 13.383 -1.868 1.00 0.00 C ATOM 0 H ALA A 27 -3.765 11.990 -2.685 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.241 14.761 -2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.325 14.158 -1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.029 13.091 -2.857 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.688 12.516 -1.207 1.00 0.00 H new ATOM 430 N THR A 28 -3.318 13.476 0.241 1.00 0.00 N ATOM 431 CA THR A 28 -2.869 13.797 1.593 1.00 0.00 C ATOM 432 C THR A 28 -1.408 14.266 1.618 1.00 0.00 C ATOM 433 O THR A 28 -1.100 15.347 2.120 1.00 0.00 O ATOM 434 CB THR A 28 -3.044 12.588 2.548 1.00 0.00 C ATOM 435 OG1 THR A 28 -4.151 11.767 2.204 1.00 0.00 O ATOM 436 CG2 THR A 28 -3.193 12.985 3.998 1.00 0.00 C ATOM 0 H THR A 28 -3.255 12.486 0.004 1.00 0.00 H new ATOM 0 HA THR A 28 -3.497 14.617 1.940 1.00 0.00 H new ATOM 0 HB THR A 28 -2.118 12.026 2.425 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.940 11.254 1.396 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.311 12.091 4.610 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.305 13.529 4.319 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.070 13.622 4.113 1.00 0.00 H new ATOM 444 N LEU A 29 -0.510 13.405 1.148 1.00 0.00 N ATOM 445 CA LEU A 29 0.925 13.663 1.200 1.00 0.00 C ATOM 446 C LEU A 29 1.373 14.680 0.168 1.00 0.00 C ATOM 447 O LEU A 29 2.375 15.361 0.374 1.00 0.00 O ATOM 448 CB LEU A 29 1.703 12.368 0.972 1.00 0.00 C ATOM 449 CG LEU A 29 1.379 11.215 1.919 1.00 0.00 C ATOM 450 CD1 LEU A 29 1.618 9.871 1.246 1.00 0.00 C ATOM 451 CD2 LEU A 29 2.197 11.330 3.188 1.00 0.00 C ATOM 0 H LEU A 29 -0.756 12.512 0.722 1.00 0.00 H new ATOM 0 HA LEU A 29 1.130 14.068 2.191 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.522 12.034 -0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.767 12.589 1.051 1.00 0.00 H new ATOM 0 HG LEU A 29 0.322 11.275 2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.379 9.068 1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.982 9.787 0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.664 9.794 0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.955 10.501 3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.258 11.299 2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.967 12.273 3.685 1.00 0.00 H new ATOM 576 N ASN A 38 0.940 18.500 7.178 1.00 0.00 N ATOM 577 CA ASN A 38 -0.149 17.539 7.106 1.00 0.00 C ATOM 578 C ASN A 38 -0.951 17.570 8.386 1.00 0.00 C ATOM 579 O ASN A 38 -0.396 17.401 9.477 1.00 0.00 O ATOM 580 CB ASN A 38 0.360 16.117 6.850 1.00 0.00 C ATOM 581 CG ASN A 38 -0.639 15.296 6.059 1.00 0.00 C ATOM 582 OD1 ASN A 38 -1.106 14.256 6.518 1.00 0.00 O ATOM 583 ND2 ASN A 38 -0.981 15.760 4.868 1.00 0.00 N ATOM 0 HA ASN A 38 -0.783 17.823 6.266 1.00 0.00 H new ATOM 0 HB2 ASN A 38 1.305 16.161 6.308 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.561 15.626 7.802 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -1.655 15.250 4.296 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -0.571 16.627 4.522 1.00 0.00 H new ATOM 590 N ASP A 39 -2.247 17.794 8.258 1.00 0.00 N ATOM 591 CA ASP A 39 -3.124 17.848 9.413 1.00 0.00 C ATOM 592 C ASP A 39 -3.534 16.440 9.825 1.00 0.00 C ATOM 593 O ASP A 39 -4.260 15.767 9.080 1.00 0.00 O ATOM 594 CB ASP A 39 -4.374 18.701 9.110 1.00 0.00 C ATOM 595 CG ASP A 39 -5.445 18.595 10.156 1.00 0.00 C ATOM 596 OD1 ASP A 39 -5.121 18.530 11.352 1.00 0.00 O ATOM 597 OD2 ASP A 39 -6.618 18.583 9.788 1.00 0.00 O ATOM 0 H ASP A 39 -2.715 17.942 7.364 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.583 18.314 10.236 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.076 19.745 9.013 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.786 18.396 8.148 1.00 0.00 H new ATOM 602 N PRO A 40 -3.112 15.973 11.026 1.00 0.00 N ATOM 603 CA PRO A 40 -3.482 14.634 11.537 1.00 0.00 C ATOM 604 C PRO A 40 -5.008 14.442 11.625 1.00 0.00 C ATOM 605 O PRO A 40 -5.500 13.313 11.560 1.00 0.00 O ATOM 606 CB PRO A 40 -2.860 14.598 12.942 1.00 0.00 C ATOM 607 CG PRO A 40 -1.779 15.628 12.909 1.00 0.00 C ATOM 608 CD PRO A 40 -2.273 16.713 11.994 1.00 0.00 C ATOM 0 HA PRO A 40 -3.129 13.839 10.880 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.601 14.827 13.708 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.459 13.611 13.171 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.581 16.019 13.907 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.845 15.203 12.542 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.847 17.466 12.534 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -1.450 17.232 11.502 1.00 0.00 H new ATOM 616 N THR A 41 -5.738 15.546 11.774 1.00 0.00 N ATOM 617 CA THR A 41 -7.196 15.519 11.862 1.00 0.00 C ATOM 618 C THR A 41 -7.834 15.239 10.492 1.00 0.00 C ATOM 619 O THR A 41 -8.954 14.711 10.423 1.00 0.00 O ATOM 620 CB THR A 41 -7.741 16.857 12.409 1.00 0.00 C ATOM 621 OG1 THR A 41 -6.743 17.616 13.100 1.00 0.00 O ATOM 622 CG2 THR A 41 -8.891 16.686 13.350 1.00 0.00 C ATOM 0 H THR A 41 -5.336 16.482 11.837 1.00 0.00 H new ATOM 0 HA THR A 41 -7.460 14.713 12.547 1.00 0.00 H new ATOM 0 HB THR A 41 -8.072 17.388 11.516 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.305 18.228 12.473 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.226 17.664 13.697 1.00 0.00 H new ATOM 0 HG22 THR A 41 -9.710 16.183 12.836 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.576 16.086 14.204 1.00 0.00 H new ATOM 630 N SER A 42 -7.178 15.703 9.426 1.00 0.00 N ATOM 631 CA SER A 42 -7.698 15.610 8.089 1.00 0.00 C ATOM 632 C SER A 42 -8.229 14.214 7.769 1.00 0.00 C ATOM 633 O SER A 42 -7.560 13.192 8.033 1.00 0.00 O ATOM 634 CB SER A 42 -6.641 16.055 7.074 1.00 0.00 C ATOM 635 OG SER A 42 -5.538 15.149 7.012 1.00 0.00 O ATOM 0 H SER A 42 -6.265 16.155 9.483 1.00 0.00 H new ATOM 0 HA SER A 42 -8.550 16.286 8.019 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.098 16.136 6.088 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.279 17.048 7.340 1.00 0.00 H new ATOM 0 HG SER A 42 -4.806 15.486 7.570 1.00 0.00 H new ATOM 641 N ALA A 43 -9.423 14.177 7.184 1.00 0.00 N ATOM 642 CA ALA A 43 -10.062 12.929 6.792 1.00 0.00 C ATOM 643 C ALA A 43 -9.139 12.076 5.941 1.00 0.00 C ATOM 644 O ALA A 43 -9.141 10.868 6.073 1.00 0.00 O ATOM 645 CB ALA A 43 -11.376 13.184 6.062 1.00 0.00 C ATOM 0 H ALA A 43 -9.972 15.010 6.970 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.282 12.379 7.707 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.828 12.232 5.783 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.056 13.730 6.716 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.185 13.772 5.164 1.00 0.00 H new ATOM 651 N VAL A 44 -8.302 12.715 5.121 1.00 0.00 N ATOM 652 CA VAL A 44 -7.356 12.015 4.309 1.00 0.00 C ATOM 653 C VAL A 44 -6.354 11.301 5.196 1.00 0.00 C ATOM 654 O VAL A 44 -6.200 10.078 5.117 1.00 0.00 O ATOM 655 CB VAL A 44 -6.587 12.924 3.318 1.00 0.00 C ATOM 656 CG1 VAL A 44 -6.891 12.562 1.880 1.00 0.00 C ATOM 657 CG2 VAL A 44 -6.816 14.390 3.548 1.00 0.00 C ATOM 0 H VAL A 44 -8.276 13.729 5.015 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.933 11.309 3.711 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.531 12.737 3.513 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.334 13.221 1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.599 11.528 1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.959 12.676 1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.247 14.966 2.818 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.877 14.614 3.439 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.490 14.656 4.554 1.00 0.00 H new ATOM 667 N ASN A 45 -5.714 12.075 6.093 1.00 0.00 N ATOM 668 CA ASN A 45 -4.757 11.521 7.042 1.00 0.00 C ATOM 669 C ASN A 45 -5.395 10.362 7.808 1.00 0.00 C ATOM 670 O ASN A 45 -4.833 9.256 7.868 1.00 0.00 O ATOM 671 CB ASN A 45 -4.252 12.599 8.026 1.00 0.00 C ATOM 672 CG ASN A 45 -3.053 12.147 8.847 1.00 0.00 C ATOM 673 OD1 ASN A 45 -3.189 11.359 9.778 1.00 0.00 O ATOM 674 ND2 ASN A 45 -1.872 12.641 8.523 1.00 0.00 N ATOM 0 H ASN A 45 -5.849 13.083 6.172 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.897 11.153 6.482 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.984 13.495 7.467 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -5.063 12.875 8.700 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.043 12.369 9.052 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.789 13.294 7.744 1.00 0.00 H new ATOM 681 N LEU A 46 -6.606 10.601 8.340 1.00 0.00 N ATOM 682 CA LEU A 46 -7.366 9.569 9.064 1.00 0.00 C ATOM 683 C LEU A 46 -7.640 8.368 8.161 1.00 0.00 C ATOM 684 O LEU A 46 -7.306 7.230 8.512 1.00 0.00 O ATOM 685 CB LEU A 46 -8.697 10.128 9.603 1.00 0.00 C ATOM 686 CG LEU A 46 -8.597 11.341 10.541 1.00 0.00 C ATOM 687 CD1 LEU A 46 -9.972 11.772 11.000 1.00 0.00 C ATOM 688 CD2 LEU A 46 -7.719 11.029 11.743 1.00 0.00 C ATOM 0 H LEU A 46 -7.080 11.502 8.282 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.758 9.249 9.910 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.321 10.404 8.753 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.214 9.328 10.133 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.140 12.159 9.984 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.881 12.632 11.663 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.576 12.044 10.134 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.451 10.951 11.534 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.665 11.904 12.391 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.145 10.193 12.297 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.717 10.766 11.403 1.00 0.00 H new ATOM 700 N GLN A 47 -8.193 8.637 6.968 1.00 0.00 N ATOM 701 CA GLN A 47 -8.453 7.616 5.988 1.00 0.00 C ATOM 702 C GLN A 47 -7.246 6.770 5.734 1.00 0.00 C ATOM 703 O GLN A 47 -7.312 5.549 5.816 1.00 0.00 O ATOM 704 CB GLN A 47 -8.863 8.261 4.739 1.00 0.00 C ATOM 705 CG GLN A 47 -10.341 8.569 4.741 1.00 0.00 C ATOM 706 CD GLN A 47 -10.791 8.734 3.390 1.00 0.00 C ATOM 707 OE1 GLN A 47 -11.793 8.157 2.961 1.00 0.00 O ATOM 708 NE2 GLN A 47 -10.072 9.500 2.675 1.00 0.00 N ATOM 0 H GLN A 47 -8.466 9.574 6.673 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.241 6.966 6.368 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.297 9.182 4.600 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.626 7.611 3.897 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.892 7.762 5.224 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.535 9.475 5.315 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.253 9.954 3.079 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -10.314 9.661 1.697 1.00 0.00 H new ATOM 717 N LEU A 48 -6.120 7.419 5.453 1.00 0.00 N ATOM 718 CA LEU A 48 -4.880 6.695 5.187 1.00 0.00 C ATOM 719 C LEU A 48 -4.432 5.920 6.417 1.00 0.00 C ATOM 720 O LEU A 48 -4.015 4.780 6.292 1.00 0.00 O ATOM 721 CB LEU A 48 -3.769 7.631 4.708 1.00 0.00 C ATOM 722 CG LEU A 48 -4.096 8.564 3.518 1.00 0.00 C ATOM 723 CD1 LEU A 48 -2.904 8.722 2.608 1.00 0.00 C ATOM 724 CD2 LEU A 48 -5.280 8.079 2.709 1.00 0.00 C ATOM 0 H LEU A 48 -6.040 8.435 5.404 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.083 5.986 4.384 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.464 8.252 5.550 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.908 7.021 4.433 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.355 9.529 3.953 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.163 9.383 1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.073 9.150 3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.613 7.747 2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.466 8.770 1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.066 7.088 2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.162 8.029 3.348 1.00 0.00 H new ATOM 736 N ASN A 49 -4.583 6.517 7.614 1.00 0.00 N ATOM 737 CA ASN A 49 -4.257 5.803 8.875 1.00 0.00 C ATOM 738 C ASN A 49 -5.083 4.521 8.946 1.00 0.00 C ATOM 739 O ASN A 49 -4.555 3.439 9.263 1.00 0.00 O ATOM 740 CB ASN A 49 -4.532 6.669 10.122 1.00 0.00 C ATOM 741 CG ASN A 49 -3.355 7.557 10.513 1.00 0.00 C ATOM 742 OD1 ASN A 49 -2.617 7.265 11.460 1.00 0.00 O ATOM 743 ND2 ASN A 49 -3.167 8.641 9.802 1.00 0.00 N ATOM 0 H ASN A 49 -4.921 7.471 7.740 1.00 0.00 H new ATOM 0 HA ASN A 49 -3.191 5.573 8.868 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.404 7.295 9.935 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.781 6.018 10.960 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.395 9.270 10.025 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.792 8.857 9.026 1.00 0.00 H new ATOM 750 N ASP A 50 -6.371 4.628 8.563 1.00 0.00 N ATOM 751 CA ASP A 50 -7.257 3.463 8.482 1.00 0.00 C ATOM 752 C ASP A 50 -6.735 2.516 7.428 1.00 0.00 C ATOM 753 O ASP A 50 -6.400 1.373 7.731 1.00 0.00 O ATOM 754 CB ASP A 50 -8.682 3.879 8.126 1.00 0.00 C ATOM 755 CG ASP A 50 -9.631 2.714 8.096 1.00 0.00 C ATOM 756 OD1 ASP A 50 -9.813 2.079 9.136 1.00 0.00 O ATOM 757 OD2 ASP A 50 -10.215 2.453 7.043 1.00 0.00 O ATOM 0 H ASP A 50 -6.815 5.510 8.307 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.275 2.974 9.456 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.035 4.612 8.851 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.682 4.368 7.152 1.00 0.00 H new ATOM 762 N LEU A 51 -6.595 3.038 6.197 1.00 0.00 N ATOM 763 CA LEU A 51 -6.039 2.313 5.066 1.00 0.00 C ATOM 764 C LEU A 51 -4.813 1.514 5.485 1.00 0.00 C ATOM 765 O LEU A 51 -4.776 0.304 5.329 1.00 0.00 O ATOM 766 CB LEU A 51 -5.630 3.314 3.983 1.00 0.00 C ATOM 767 CG LEU A 51 -6.713 3.672 2.978 1.00 0.00 C ATOM 768 CD1 LEU A 51 -7.021 5.160 2.947 1.00 0.00 C ATOM 769 CD2 LEU A 51 -6.342 3.196 1.622 1.00 0.00 C ATOM 0 H LEU A 51 -6.873 3.992 5.967 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.795 1.625 4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.293 4.230 4.468 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.776 2.907 3.441 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.622 3.166 3.304 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.801 5.355 2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.362 5.482 3.931 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.121 5.712 2.676 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.129 3.461 0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.406 3.664 1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.218 2.113 1.638 1.00 0.00 H new ATOM 781 N ILE A 52 -3.813 2.225 5.996 1.00 0.00 N ATOM 782 CA ILE A 52 -2.548 1.632 6.443 1.00 0.00 C ATOM 783 C ILE A 52 -2.793 0.388 7.311 1.00 0.00 C ATOM 784 O ILE A 52 -2.323 -0.707 6.981 1.00 0.00 O ATOM 785 CB ILE A 52 -1.665 2.666 7.223 1.00 0.00 C ATOM 786 CG1 ILE A 52 -1.207 3.799 6.303 1.00 0.00 C ATOM 787 CG2 ILE A 52 -0.446 2.006 7.866 1.00 0.00 C ATOM 788 CD1 ILE A 52 -0.695 5.002 7.057 1.00 0.00 C ATOM 0 H ILE A 52 -3.854 3.237 6.114 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.006 1.331 5.547 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.290 3.076 8.016 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.422 3.429 5.644 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.039 4.103 5.668 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.138 2.758 8.396 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.775 1.241 8.569 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.170 1.547 7.092 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.386 5.771 6.349 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.486 5.395 7.696 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.157 4.711 7.672 1.00 0.00 H new ATOM 800 N GLU A 53 -3.542 0.549 8.401 1.00 0.00 N ATOM 801 CA GLU A 53 -3.835 -0.587 9.269 1.00 0.00 C ATOM 802 C GLU A 53 -4.692 -1.595 8.564 1.00 0.00 C ATOM 803 O GLU A 53 -4.399 -2.784 8.605 1.00 0.00 O ATOM 804 CB GLU A 53 -4.465 -0.164 10.579 1.00 0.00 C ATOM 805 CG GLU A 53 -3.454 -0.058 11.688 1.00 0.00 C ATOM 806 CD GLU A 53 -3.835 -0.846 12.897 1.00 0.00 C ATOM 807 OE1 GLU A 53 -4.859 -0.537 13.510 1.00 0.00 O ATOM 808 OE2 GLU A 53 -3.115 -1.778 13.238 1.00 0.00 O ATOM 0 H GLU A 53 -3.949 1.436 8.699 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.881 -1.054 9.511 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.960 0.798 10.448 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.235 -0.883 10.859 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.486 -0.404 11.325 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.335 0.989 11.966 1.00 0.00 H new ATOM 815 N HIS A 54 -5.722 -1.125 7.886 1.00 0.00 N ATOM 816 CA HIS A 54 -6.595 -2.003 7.106 1.00 0.00 C ATOM 817 C HIS A 54 -5.752 -2.902 6.203 1.00 0.00 C ATOM 818 O HIS A 54 -5.828 -4.128 6.292 1.00 0.00 O ATOM 819 CB HIS A 54 -7.584 -1.190 6.268 1.00 0.00 C ATOM 820 CG HIS A 54 -8.609 -2.041 5.601 1.00 0.00 C ATOM 821 ND1 HIS A 54 -9.639 -2.651 6.282 1.00 0.00 N ATOM 822 CD2 HIS A 54 -8.743 -2.411 4.311 1.00 0.00 C ATOM 823 CE1 HIS A 54 -10.364 -3.361 5.436 1.00 0.00 C ATOM 824 NE2 HIS A 54 -9.842 -3.230 4.228 1.00 0.00 N ATOM 0 H HIS A 54 -5.981 -0.139 7.855 1.00 0.00 H new ATOM 0 HA HIS A 54 -7.167 -2.622 7.797 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -8.083 -0.462 6.907 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.036 -0.628 5.512 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -8.103 -2.117 3.493 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -11.235 -3.948 5.688 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -10.197 -3.665 3.376 1.00 0.00 H new ATOM 833 N ILE A 55 -4.879 -2.281 5.405 1.00 0.00 N ATOM 834 CA ILE A 55 -3.951 -3.011 4.553 1.00 0.00 C ATOM 835 C ILE A 55 -3.050 -3.913 5.414 1.00 0.00 C ATOM 836 O ILE A 55 -2.896 -5.087 5.109 1.00 0.00 O ATOM 837 CB ILE A 55 -3.077 -2.045 3.681 1.00 0.00 C ATOM 838 CG1 ILE A 55 -3.958 -1.152 2.799 1.00 0.00 C ATOM 839 CG2 ILE A 55 -2.085 -2.812 2.804 1.00 0.00 C ATOM 840 CD1 ILE A 55 -3.209 0.003 2.170 1.00 0.00 C ATOM 0 H ILE A 55 -4.800 -1.267 5.335 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.537 -3.627 3.871 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.512 -1.420 4.373 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.402 -1.759 2.010 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.779 -0.759 3.399 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.499 -2.106 2.215 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.419 -3.399 3.436 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.630 -3.478 2.135 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.894 0.592 1.560 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.787 0.633 2.953 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.405 -0.383 1.543 1.00 0.00 H new ATOM 852 N ALA A 56 -2.503 -3.363 6.516 1.00 0.00 N ATOM 853 CA ALA A 56 -1.648 -4.137 7.439 1.00 0.00 C ATOM 854 C ALA A 56 -2.375 -5.390 7.916 1.00 0.00 C ATOM 855 O ALA A 56 -1.911 -6.515 7.705 1.00 0.00 O ATOM 856 CB ALA A 56 -1.217 -3.277 8.638 1.00 0.00 C ATOM 0 H ALA A 56 -2.637 -2.389 6.788 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.752 -4.440 6.898 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.588 -3.869 9.303 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.656 -2.412 8.283 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.100 -2.939 9.179 1.00 0.00 H new ATOM 862 N SER A 57 -3.533 -5.190 8.521 1.00 0.00 N ATOM 863 CA SER A 57 -4.368 -6.284 9.003 1.00 0.00 C ATOM 864 C SER A 57 -4.764 -7.218 7.850 1.00 0.00 C ATOM 865 O SER A 57 -4.780 -8.439 8.021 1.00 0.00 O ATOM 866 CB SER A 57 -5.609 -5.734 9.719 1.00 0.00 C ATOM 867 OG SER A 57 -5.317 -4.494 10.384 1.00 0.00 O ATOM 0 H SER A 57 -3.924 -4.264 8.694 1.00 0.00 H new ATOM 0 HA SER A 57 -3.792 -6.868 9.720 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.412 -5.583 8.997 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.967 -6.464 10.445 1.00 0.00 H new ATOM 0 HG SER A 57 -5.331 -3.762 9.732 1.00 0.00 H new ATOM 873 N PHE A 58 -5.041 -6.644 6.670 1.00 0.00 N ATOM 874 CA PHE A 58 -5.370 -7.434 5.484 1.00 0.00 C ATOM 875 C PHE A 58 -4.170 -8.307 5.104 1.00 0.00 C ATOM 876 O PHE A 58 -4.302 -9.544 4.986 1.00 0.00 O ATOM 877 CB PHE A 58 -5.785 -6.517 4.305 1.00 0.00 C ATOM 878 CG PHE A 58 -5.782 -7.188 2.954 1.00 0.00 C ATOM 879 CD1 PHE A 58 -6.555 -8.309 2.721 1.00 0.00 C ATOM 880 CD2 PHE A 58 -4.999 -6.699 1.924 1.00 0.00 C ATOM 881 CE1 PHE A 58 -6.548 -8.928 1.494 1.00 0.00 C ATOM 882 CE2 PHE A 58 -4.992 -7.316 0.693 1.00 0.00 C ATOM 883 CZ PHE A 58 -5.767 -8.432 0.478 1.00 0.00 C ATOM 0 H PHE A 58 -5.043 -5.636 6.516 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.219 -8.078 5.711 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.784 -6.127 4.500 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.110 -5.662 4.272 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.173 -8.704 3.514 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.387 -5.824 2.087 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.157 -9.805 1.328 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.378 -6.924 -0.104 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.762 -8.917 -0.487 1.00 0.00 H new ATOM 893 N VAL A 59 -2.991 -7.673 4.983 1.00 0.00 N ATOM 894 CA VAL A 59 -1.747 -8.379 4.692 1.00 0.00 C ATOM 895 C VAL A 59 -1.521 -9.478 5.731 1.00 0.00 C ATOM 896 O VAL A 59 -1.207 -10.609 5.364 1.00 0.00 O ATOM 897 CB VAL A 59 -0.522 -7.409 4.645 1.00 0.00 C ATOM 898 CG1 VAL A 59 0.785 -8.163 4.402 1.00 0.00 C ATOM 899 CG2 VAL A 59 -0.717 -6.353 3.567 1.00 0.00 C ATOM 0 H VAL A 59 -2.881 -6.664 5.085 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.839 -8.828 3.703 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.456 -6.921 5.618 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.614 -7.455 4.376 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.946 -8.881 5.206 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.729 -8.691 3.450 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.146 -5.687 3.550 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.820 -6.838 2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.616 -5.776 3.782 1.00 0.00 H new ATOM 909 N MET A 60 -1.739 -9.151 7.023 1.00 0.00 N ATOM 910 CA MET A 60 -1.617 -10.134 8.115 1.00 0.00 C ATOM 911 C MET A 60 -2.269 -11.456 7.705 1.00 0.00 C ATOM 912 O MET A 60 -1.625 -12.517 7.748 1.00 0.00 O ATOM 913 CB MET A 60 -2.286 -9.623 9.402 1.00 0.00 C ATOM 914 CG MET A 60 -1.340 -9.225 10.476 1.00 0.00 C ATOM 915 SD MET A 60 -2.047 -8.020 11.611 1.00 0.00 S ATOM 916 CE MET A 60 -1.506 -6.492 10.856 1.00 0.00 C ATOM 0 H MET A 60 -2.000 -8.215 7.332 1.00 0.00 H new ATOM 0 HA MET A 60 -0.555 -10.286 8.308 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.914 -8.767 9.154 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.945 -10.401 9.787 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.037 -10.111 11.035 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.439 -8.809 10.025 1.00 0.00 H new ATOM 0 HE1 MET A 60 -0.762 -6.014 11.494 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.066 -6.703 9.881 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.359 -5.825 10.732 1.00 0.00 H new ATOM 926 N SER A 61 -3.531 -11.374 7.258 1.00 0.00 N ATOM 927 CA SER A 61 -4.263 -12.529 6.773 1.00 0.00 C ATOM 928 C SER A 61 -3.672 -12.997 5.440 1.00 0.00 C ATOM 929 O SER A 61 -3.423 -14.182 5.251 1.00 0.00 O ATOM 930 CB SER A 61 -5.757 -12.185 6.603 1.00 0.00 C ATOM 931 OG SER A 61 -5.997 -10.767 6.657 1.00 0.00 O ATOM 0 H SER A 61 -4.062 -10.504 7.227 1.00 0.00 H new ATOM 0 HA SER A 61 -4.175 -13.334 7.502 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.112 -12.576 5.650 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.333 -12.680 7.385 1.00 0.00 H new ATOM 0 HG SER A 61 -5.549 -10.330 5.902 1.00 0.00 H new ATOM 937 N PHE A 62 -3.410 -12.044 4.531 1.00 0.00 N ATOM 938 CA PHE A 62 -2.807 -12.347 3.223 1.00 0.00 C ATOM 939 C PHE A 62 -1.595 -13.271 3.361 1.00 0.00 C ATOM 940 O PHE A 62 -1.521 -14.284 2.688 1.00 0.00 O ATOM 941 CB PHE A 62 -2.414 -11.066 2.484 1.00 0.00 C ATOM 942 CG PHE A 62 -2.364 -11.235 0.993 1.00 0.00 C ATOM 943 CD1 PHE A 62 -1.246 -11.779 0.381 1.00 0.00 C ATOM 944 CD2 PHE A 62 -3.432 -10.855 0.203 1.00 0.00 C ATOM 945 CE1 PHE A 62 -1.198 -11.937 -0.983 1.00 0.00 C ATOM 946 CE2 PHE A 62 -3.387 -11.011 -1.167 1.00 0.00 C ATOM 947 CZ PHE A 62 -2.267 -11.552 -1.761 1.00 0.00 C ATOM 0 H PHE A 62 -3.607 -11.054 4.679 1.00 0.00 H new ATOM 0 HA PHE A 62 -3.564 -12.867 2.636 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.127 -10.279 2.730 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.438 -10.735 2.839 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.402 -12.082 0.983 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.312 -10.431 0.663 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.320 -12.364 -1.446 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.228 -10.710 -1.773 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.228 -11.674 -2.833 1.00 0.00 H new ATOM 957 N LYS A 63 -0.682 -12.943 4.288 1.00 0.00 N ATOM 958 CA LYS A 63 0.517 -13.792 4.549 1.00 0.00 C ATOM 959 C LYS A 63 0.106 -15.237 4.927 1.00 0.00 C ATOM 960 O LYS A 63 0.800 -16.211 4.575 1.00 0.00 O ATOM 961 CB LYS A 63 1.435 -13.187 5.650 1.00 0.00 C ATOM 962 CG LYS A 63 1.401 -11.651 5.752 1.00 0.00 C ATOM 963 CD LYS A 63 2.770 -11.034 6.015 1.00 0.00 C ATOM 964 CE LYS A 63 3.156 -11.113 7.491 1.00 0.00 C ATOM 965 NZ LYS A 63 4.607 -10.884 7.716 1.00 0.00 N ATOM 0 H LYS A 63 -0.739 -12.107 4.870 1.00 0.00 H new ATOM 0 HA LYS A 63 1.089 -13.822 3.622 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.147 -13.607 6.614 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.461 -13.501 5.460 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.997 -11.241 4.826 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.720 -11.362 6.552 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.521 -11.548 5.415 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.766 -9.992 5.696 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.584 -10.374 8.052 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.882 -12.093 7.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.745 -10.406 8.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.105 -11.797 7.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.987 -10.289 6.952 1.00 0.00 H new ATOM 979 N ILE A 64 -1.043 -15.367 5.588 1.00 0.00 N ATOM 980 CA ILE A 64 -1.615 -16.667 5.946 1.00 0.00 C ATOM 981 C ILE A 64 -2.175 -17.312 4.685 1.00 0.00 C ATOM 982 O ILE A 64 -1.888 -18.481 4.380 1.00 0.00 O ATOM 983 CB ILE A 64 -2.793 -16.520 6.970 1.00 0.00 C ATOM 984 CG1 ILE A 64 -2.415 -15.610 8.142 1.00 0.00 C ATOM 985 CG2 ILE A 64 -3.271 -17.878 7.469 1.00 0.00 C ATOM 986 CD1 ILE A 64 -3.483 -15.526 9.209 1.00 0.00 C ATOM 0 H ILE A 64 -1.606 -14.573 5.892 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.828 -17.270 6.399 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.620 -16.048 6.439 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.491 -15.975 8.592 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.211 -14.608 7.763 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.088 -17.739 8.177 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.620 -18.474 6.625 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.448 -18.395 7.962 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.148 -14.865 10.008 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.402 -15.133 8.774 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.670 -16.520 9.615 1.00 0.00 H new ATOM 998 N LYS A 65 -2.989 -16.535 3.965 1.00 0.00 N ATOM 999 CA LYS A 65 -3.629 -16.970 2.757 1.00 0.00 C ATOM 1000 C LYS A 65 -2.604 -17.404 1.714 1.00 0.00 C ATOM 1001 O LYS A 65 -2.661 -18.537 1.216 1.00 0.00 O ATOM 1002 CB LYS A 65 -4.500 -15.847 2.172 1.00 0.00 C ATOM 1003 CG LYS A 65 -5.492 -15.205 3.145 1.00 0.00 C ATOM 1004 CD LYS A 65 -5.840 -13.770 2.723 1.00 0.00 C ATOM 1005 CE LYS A 65 -7.317 -13.450 2.922 1.00 0.00 C ATOM 1006 NZ LYS A 65 -8.192 -14.334 2.131 1.00 0.00 N ATOM 0 H LYS A 65 -3.214 -15.574 4.223 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.257 -17.824 3.010 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.844 -15.068 1.783 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.057 -16.247 1.325 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.402 -15.804 3.188 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.067 -15.198 4.149 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.238 -13.068 3.300 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.578 -13.628 1.674 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.568 -13.545 3.978 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.503 -12.413 2.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.165 -13.966 2.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.853 -14.369 1.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.176 -15.292 2.537 1.00 0.00 H new ATOM 1020 N TYR A 66 -1.695 -16.495 1.354 1.00 0.00 N ATOM 1021 CA TYR A 66 -0.709 -16.768 0.325 1.00 0.00 C ATOM 1022 C TYR A 66 0.715 -16.456 0.776 1.00 0.00 C ATOM 1023 O TYR A 66 1.031 -15.322 1.127 1.00 0.00 O ATOM 1024 CB TYR A 66 -1.025 -15.990 -0.959 1.00 0.00 C ATOM 1025 CG TYR A 66 -0.493 -16.670 -2.196 1.00 0.00 C ATOM 1026 CD1 TYR A 66 -1.165 -17.739 -2.768 1.00 0.00 C ATOM 1027 CD2 TYR A 66 0.692 -16.260 -2.771 1.00 0.00 C ATOM 1028 CE1 TYR A 66 -0.666 -18.380 -3.877 1.00 0.00 C ATOM 1029 CE2 TYR A 66 1.196 -16.890 -3.884 1.00 0.00 C ATOM 1030 CZ TYR A 66 0.515 -17.950 -4.432 1.00 0.00 C ATOM 1031 OH TYR A 66 1.024 -18.591 -5.529 1.00 0.00 O ATOM 0 H TYR A 66 -1.628 -15.564 1.765 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.766 -17.838 0.125 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.105 -15.871 -1.051 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.599 -14.989 -0.887 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.096 -18.074 -2.335 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.233 -15.430 -2.340 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.198 -19.215 -4.309 1.00 0.00 H new ATOM 0 HE2 TYR A 66 2.122 -16.553 -4.325 1.00 0.00 H new ATOM 0 HH TYR A 66 1.863 -18.163 -5.798 1.00 0.00 H new ATOM 1041 N PRO A 67 1.588 -17.479 0.827 1.00 0.00 N ATOM 1042 CA PRO A 67 2.978 -17.306 1.244 1.00 0.00 C ATOM 1043 C PRO A 67 3.966 -17.075 0.066 1.00 0.00 C ATOM 1044 O PRO A 67 5.044 -16.496 0.258 1.00 0.00 O ATOM 1045 CB PRO A 67 3.276 -18.640 1.907 1.00 0.00 C ATOM 1046 CG PRO A 67 2.481 -19.642 1.112 1.00 0.00 C ATOM 1047 CD PRO A 67 1.267 -18.910 0.580 1.00 0.00 C ATOM 0 HA PRO A 67 3.102 -16.425 1.874 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.342 -18.867 1.880 1.00 0.00 H new ATOM 0 HB3 PRO A 67 2.977 -18.638 2.955 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.077 -20.048 0.295 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.182 -20.483 1.738 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.111 -19.109 -0.480 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.357 -19.212 1.098 1.00 0.00 H new ATOM 1055 N ASP A 68 3.641 -17.628 -1.126 1.00 0.00 N ATOM 1056 CA ASP A 68 4.557 -17.598 -2.297 1.00 0.00 C ATOM 1057 C ASP A 68 4.854 -16.202 -2.805 1.00 0.00 C ATOM 1058 O ASP A 68 5.894 -15.970 -3.422 1.00 0.00 O ATOM 1059 CB ASP A 68 4.045 -18.481 -3.440 1.00 0.00 C ATOM 1060 CG ASP A 68 5.146 -19.109 -4.220 1.00 0.00 C ATOM 1061 OD1 ASP A 68 5.823 -18.411 -4.959 1.00 0.00 O ATOM 1062 OD2 ASP A 68 5.332 -20.313 -4.105 1.00 0.00 O ATOM 0 H ASP A 68 2.754 -18.100 -1.305 1.00 0.00 H new ATOM 0 HA ASP A 68 5.499 -18.004 -1.930 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.404 -19.262 -3.031 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.428 -17.881 -4.109 1.00 0.00 H new ATOM 1067 N ASP A 69 3.980 -15.281 -2.525 1.00 0.00 N ATOM 1068 CA ASP A 69 4.142 -13.900 -2.909 1.00 0.00 C ATOM 1069 C ASP A 69 4.874 -13.094 -1.832 1.00 0.00 C ATOM 1070 O ASP A 69 4.850 -11.867 -1.860 1.00 0.00 O ATOM 1071 CB ASP A 69 2.772 -13.314 -3.136 1.00 0.00 C ATOM 1072 CG ASP A 69 2.124 -12.788 -1.877 1.00 0.00 C ATOM 1073 OD1 ASP A 69 1.816 -13.595 -1.005 1.00 0.00 O ATOM 1074 OD2 ASP A 69 1.937 -11.565 -1.765 1.00 0.00 O ATOM 0 H ASP A 69 3.117 -15.467 -2.014 1.00 0.00 H new ATOM 0 HA ASP A 69 4.744 -13.853 -3.816 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.848 -12.504 -3.861 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.128 -14.076 -3.575 1.00 0.00 H new ATOM 1079 N GLY A 70 5.482 -13.789 -0.870 1.00 0.00 N ATOM 1080 CA GLY A 70 6.136 -13.155 0.260 1.00 0.00 C ATOM 1081 C GLY A 70 6.866 -11.867 -0.062 1.00 0.00 C ATOM 1082 O GLY A 70 6.771 -10.933 0.710 1.00 0.00 O ATOM 0 H GLY A 70 5.531 -14.808 -0.858 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.387 -12.949 1.025 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.847 -13.860 0.691 1.00 0.00 H new ATOM 1086 N ASP A 71 7.543 -11.788 -1.222 1.00 0.00 N ATOM 1087 CA ASP A 71 8.258 -10.536 -1.632 1.00 0.00 C ATOM 1088 C ASP A 71 7.278 -9.379 -1.866 1.00 0.00 C ATOM 1089 O ASP A 71 7.571 -8.226 -1.520 1.00 0.00 O ATOM 1090 CB ASP A 71 9.106 -10.762 -2.899 1.00 0.00 C ATOM 1091 CG ASP A 71 10.572 -10.570 -2.651 1.00 0.00 C ATOM 1092 OD1 ASP A 71 11.133 -11.257 -1.787 1.00 0.00 O ATOM 1093 OD2 ASP A 71 11.173 -9.745 -3.319 1.00 0.00 O ATOM 0 H ASP A 71 7.618 -12.554 -1.891 1.00 0.00 H new ATOM 0 HA ASP A 71 8.922 -10.269 -0.810 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.933 -11.771 -3.273 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.779 -10.073 -3.678 1.00 0.00 H new ATOM 1098 N LEU A 72 6.094 -9.695 -2.389 1.00 0.00 N ATOM 1099 CA LEU A 72 5.038 -8.700 -2.583 1.00 0.00 C ATOM 1100 C LEU A 72 4.511 -8.278 -1.237 1.00 0.00 C ATOM 1101 O LEU A 72 4.468 -7.087 -0.929 1.00 0.00 O ATOM 1102 CB LEU A 72 3.878 -9.270 -3.420 1.00 0.00 C ATOM 1103 CG LEU A 72 2.859 -8.250 -3.989 1.00 0.00 C ATOM 1104 CD1 LEU A 72 3.501 -6.899 -4.295 1.00 0.00 C ATOM 1105 CD2 LEU A 72 2.178 -8.802 -5.226 1.00 0.00 C ATOM 0 H LEU A 72 5.840 -10.637 -2.688 1.00 0.00 H new ATOM 0 HA LEU A 72 5.460 -7.849 -3.117 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.303 -9.827 -4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.334 -9.986 -2.804 1.00 0.00 H new ATOM 0 HG LEU A 72 2.109 -8.086 -3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.747 -6.219 -4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.922 -6.481 -3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.293 -7.031 -5.032 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.467 -8.069 -5.608 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.927 -9.014 -5.990 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.650 -9.721 -4.971 1.00 0.00 H new ATOM 1117 N SER A 73 4.189 -9.267 -0.404 1.00 0.00 N ATOM 1118 CA SER A 73 3.721 -9.013 0.957 1.00 0.00 C ATOM 1119 C SER A 73 4.774 -8.182 1.692 1.00 0.00 C ATOM 1120 O SER A 73 4.467 -7.126 2.240 1.00 0.00 O ATOM 1121 CB SER A 73 3.417 -10.341 1.693 1.00 0.00 C ATOM 1122 OG SER A 73 3.483 -11.482 0.804 1.00 0.00 O ATOM 0 H SER A 73 4.244 -10.255 -0.650 1.00 0.00 H new ATOM 0 HA SER A 73 2.787 -8.452 0.929 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.128 -10.475 2.508 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.425 -10.288 2.142 1.00 0.00 H new ATOM 0 HG SER A 73 2.875 -11.343 0.048 1.00 0.00 H new ATOM 1128 N GLU A 74 6.032 -8.611 1.556 1.00 0.00 N ATOM 1129 CA GLU A 74 7.199 -7.907 2.033 1.00 0.00 C ATOM 1130 C GLU A 74 7.150 -6.427 1.583 1.00 0.00 C ATOM 1131 O GLU A 74 7.164 -5.516 2.413 1.00 0.00 O ATOM 1132 CB GLU A 74 8.428 -8.609 1.435 1.00 0.00 C ATOM 1133 CG GLU A 74 9.674 -8.519 2.250 1.00 0.00 C ATOM 1134 CD GLU A 74 10.618 -9.679 2.056 1.00 0.00 C ATOM 1135 OE1 GLU A 74 10.162 -10.823 1.990 1.00 0.00 O ATOM 1136 OE2 GLU A 74 11.818 -9.445 1.980 1.00 0.00 O ATOM 0 H GLU A 74 6.261 -9.490 1.093 1.00 0.00 H new ATOM 0 HA GLU A 74 7.242 -7.920 3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.187 -9.661 1.285 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.626 -8.184 0.451 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.194 -7.595 1.999 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.403 -8.456 3.304 1.00 0.00 H new ATOM 1143 N LEU A 75 7.011 -6.213 0.267 1.00 0.00 N ATOM 1144 CA LEU A 75 6.887 -4.861 -0.312 1.00 0.00 C ATOM 1145 C LEU A 75 5.717 -4.132 0.329 1.00 0.00 C ATOM 1146 O LEU A 75 5.841 -2.973 0.736 1.00 0.00 O ATOM 1147 CB LEU A 75 6.672 -4.935 -1.843 1.00 0.00 C ATOM 1148 CG LEU A 75 7.432 -3.916 -2.719 1.00 0.00 C ATOM 1149 CD1 LEU A 75 7.794 -2.662 -1.951 1.00 0.00 C ATOM 1150 CD2 LEU A 75 8.665 -4.544 -3.307 1.00 0.00 C ATOM 0 H LEU A 75 6.981 -6.963 -0.424 1.00 0.00 H new ATOM 0 HA LEU A 75 7.811 -4.318 -0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.949 -5.936 -2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.606 -4.818 -2.039 1.00 0.00 H new ATOM 0 HG LEU A 75 6.762 -3.621 -3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.327 -1.974 -2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.885 -2.184 -1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.431 -2.924 -1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.189 -3.812 -3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.321 -4.879 -2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.380 -5.397 -3.923 1.00 0.00 H new ATOM 1162 N VAL A 76 4.577 -4.815 0.427 1.00 0.00 N ATOM 1163 CA VAL A 76 3.396 -4.234 1.067 1.00 0.00 C ATOM 1164 C VAL A 76 3.736 -3.813 2.508 1.00 0.00 C ATOM 1165 O VAL A 76 3.437 -2.687 2.905 1.00 0.00 O ATOM 1166 CB VAL A 76 2.154 -5.192 1.074 1.00 0.00 C ATOM 1167 CG1 VAL A 76 0.893 -4.421 1.442 1.00 0.00 C ATOM 1168 CG2 VAL A 76 1.964 -5.884 -0.281 1.00 0.00 C ATOM 0 H VAL A 76 4.446 -5.763 0.075 1.00 0.00 H new ATOM 0 HA VAL A 76 3.117 -3.365 0.471 1.00 0.00 H new ATOM 0 HB VAL A 76 2.339 -5.962 1.822 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.039 -5.099 1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.010 -3.984 2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.726 -3.628 0.713 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.094 -6.539 -0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.813 -5.132 -1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.850 -6.473 -0.516 1.00 0.00 H new ATOM 1178 N GLU A 77 4.432 -4.691 3.254 1.00 0.00 N ATOM 1179 CA GLU A 77 4.877 -4.366 4.622 1.00 0.00 C ATOM 1180 C GLU A 77 5.748 -3.099 4.608 1.00 0.00 C ATOM 1181 O GLU A 77 5.571 -2.194 5.452 1.00 0.00 O ATOM 1182 CB GLU A 77 5.644 -5.542 5.254 1.00 0.00 C ATOM 1183 CG GLU A 77 4.804 -6.810 5.445 1.00 0.00 C ATOM 1184 CD GLU A 77 5.184 -7.580 6.668 1.00 0.00 C ATOM 1185 OE1 GLU A 77 5.145 -7.015 7.763 1.00 0.00 O ATOM 1186 OE2 GLU A 77 5.529 -8.754 6.548 1.00 0.00 O ATOM 0 H GLU A 77 4.697 -5.623 2.936 1.00 0.00 H new ATOM 0 HA GLU A 77 3.993 -4.180 5.232 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.503 -5.780 4.627 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.034 -5.228 6.223 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.751 -6.536 5.507 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.916 -7.450 4.570 1.00 0.00 H new ATOM 1193 N GLU A 78 6.651 -3.016 3.622 1.00 0.00 N ATOM 1194 CA GLU A 78 7.504 -1.834 3.428 1.00 0.00 C ATOM 1195 C GLU A 78 6.622 -0.612 3.128 1.00 0.00 C ATOM 1196 O GLU A 78 6.691 0.408 3.813 1.00 0.00 O ATOM 1197 CB GLU A 78 8.469 -2.067 2.243 1.00 0.00 C ATOM 1198 CG GLU A 78 9.411 -3.242 2.411 1.00 0.00 C ATOM 1199 CD GLU A 78 10.352 -3.361 1.265 1.00 0.00 C ATOM 1200 OE1 GLU A 78 11.321 -2.582 1.206 1.00 0.00 O ATOM 1201 OE2 GLU A 78 10.127 -4.209 0.402 1.00 0.00 O ATOM 0 H GLU A 78 6.811 -3.759 2.941 1.00 0.00 H new ATOM 0 HA GLU A 78 8.083 -1.660 4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.881 -2.218 1.338 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.061 -1.164 2.092 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.976 -3.126 3.336 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.833 -4.161 2.504 1.00 0.00 H new ATOM 1208 N TYR A 79 5.791 -0.755 2.101 1.00 0.00 N ATOM 1209 CA TYR A 79 4.855 0.280 1.655 1.00 0.00 C ATOM 1210 C TYR A 79 3.983 0.764 2.824 1.00 0.00 C ATOM 1211 O TYR A 79 3.835 1.981 3.049 1.00 0.00 O ATOM 1212 CB TYR A 79 3.998 -0.296 0.510 1.00 0.00 C ATOM 1213 CG TYR A 79 2.769 0.488 0.142 1.00 0.00 C ATOM 1214 CD1 TYR A 79 2.783 1.870 0.094 1.00 0.00 C ATOM 1215 CD2 TYR A 79 1.593 -0.167 -0.175 1.00 0.00 C ATOM 1216 CE1 TYR A 79 1.664 2.569 -0.252 1.00 0.00 C ATOM 1217 CE2 TYR A 79 0.471 0.529 -0.530 1.00 0.00 C ATOM 1218 CZ TYR A 79 0.515 1.897 -0.564 1.00 0.00 C ATOM 1219 OH TYR A 79 -0.592 2.607 -0.938 1.00 0.00 O ATOM 0 H TYR A 79 5.746 -1.608 1.543 1.00 0.00 H new ATOM 0 HA TYR A 79 5.404 1.148 1.289 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.626 -0.385 -0.377 1.00 0.00 H new ATOM 0 HB3 TYR A 79 3.691 -1.305 0.786 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.691 2.403 0.334 1.00 0.00 H new ATOM 0 HD2 TYR A 79 1.560 -1.246 -0.142 1.00 0.00 H new ATOM 0 HE1 TYR A 79 1.686 3.648 -0.279 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.440 0.006 -0.781 1.00 0.00 H new ATOM 0 HH TYR A 79 -1.386 2.037 -0.866 1.00 0.00 H new ATOM 1229 N LEU A 80 3.433 -0.186 3.575 1.00 0.00 N ATOM 1230 CA LEU A 80 2.617 0.109 4.757 1.00 0.00 C ATOM 1231 C LEU A 80 3.397 1.006 5.704 1.00 0.00 C ATOM 1232 O LEU A 80 2.964 2.126 6.035 1.00 0.00 O ATOM 1233 CB LEU A 80 2.256 -1.198 5.473 1.00 0.00 C ATOM 1234 CG LEU A 80 1.108 -1.971 4.855 1.00 0.00 C ATOM 1235 CD1 LEU A 80 0.979 -3.349 5.480 1.00 0.00 C ATOM 1236 CD2 LEU A 80 -0.160 -1.183 5.018 1.00 0.00 C ATOM 0 H LEU A 80 3.538 -1.183 3.385 1.00 0.00 H new ATOM 0 HA LEU A 80 1.704 0.616 4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.137 -1.839 5.493 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.005 -0.970 6.509 1.00 0.00 H new ATOM 0 HG LEU A 80 1.305 -2.117 3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.148 -3.882 5.018 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.901 -3.908 5.322 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.795 -3.248 6.550 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.990 -1.734 4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.355 -1.023 6.078 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.056 -0.220 4.519 1.00 0.00 H new ATOM 1248 N ASP A 81 4.577 0.518 6.087 1.00 0.00 N ATOM 1249 CA ASP A 81 5.510 1.254 6.945 1.00 0.00 C ATOM 1250 C ASP A 81 5.748 2.642 6.391 1.00 0.00 C ATOM 1251 O ASP A 81 5.497 3.639 7.072 1.00 0.00 O ATOM 1252 CB ASP A 81 6.849 0.513 7.034 1.00 0.00 C ATOM 1253 CG ASP A 81 7.658 0.888 8.228 1.00 0.00 C ATOM 1254 OD1 ASP A 81 7.115 0.949 9.326 1.00 0.00 O ATOM 1255 OD2 ASP A 81 8.849 1.098 8.075 1.00 0.00 O ATOM 0 H ASP A 81 4.916 -0.403 5.810 1.00 0.00 H new ATOM 0 HA ASP A 81 5.071 1.330 7.940 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.660 -0.560 7.055 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.429 0.717 6.134 1.00 0.00 H new ATOM 1260 N ASP A 82 6.243 2.705 5.147 1.00 0.00 N ATOM 1261 CA ASP A 82 6.523 3.991 4.471 1.00 0.00 C ATOM 1262 C ASP A 82 5.351 4.951 4.634 1.00 0.00 C ATOM 1263 O ASP A 82 5.527 6.086 5.117 1.00 0.00 O ATOM 1264 CB ASP A 82 6.811 3.793 2.968 1.00 0.00 C ATOM 1265 CG ASP A 82 8.235 4.081 2.591 1.00 0.00 C ATOM 1266 OD1 ASP A 82 8.788 5.096 3.034 1.00 0.00 O ATOM 1267 OD2 ASP A 82 8.808 3.291 1.841 1.00 0.00 O ATOM 0 H ASP A 82 6.460 1.883 4.584 1.00 0.00 H new ATOM 0 HA ASP A 82 7.410 4.413 4.943 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.570 2.766 2.692 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.152 4.441 2.391 1.00 0.00 H new ATOM 1272 N THR A 83 4.149 4.479 4.266 1.00 0.00 N ATOM 1273 CA THR A 83 2.923 5.279 4.390 1.00 0.00 C ATOM 1274 C THR A 83 2.761 5.795 5.829 1.00 0.00 C ATOM 1275 O THR A 83 2.568 6.999 6.050 1.00 0.00 O ATOM 1276 CB THR A 83 1.659 4.472 3.952 1.00 0.00 C ATOM 1277 OG1 THR A 83 1.891 3.695 2.766 1.00 0.00 O ATOM 1278 CG2 THR A 83 0.454 5.351 3.665 1.00 0.00 C ATOM 0 H THR A 83 4.002 3.546 3.880 1.00 0.00 H new ATOM 0 HA THR A 83 3.017 6.132 3.718 1.00 0.00 H new ATOM 0 HB THR A 83 1.453 3.827 4.806 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.748 3.955 2.367 1.00 0.00 H new ATOM 0 HG21 THR A 83 -0.388 4.727 3.366 1.00 0.00 H new ATOM 0 HG22 THR A 83 0.190 5.911 4.562 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.694 6.046 2.860 1.00 0.00 H new ATOM 1286 N TYR A 84 2.858 4.885 6.805 1.00 0.00 N ATOM 1287 CA TYR A 84 2.731 5.252 8.207 1.00 0.00 C ATOM 1288 C TYR A 84 3.801 6.276 8.614 1.00 0.00 C ATOM 1289 O TYR A 84 3.472 7.342 9.157 1.00 0.00 O ATOM 1290 CB TYR A 84 2.810 4.010 9.106 1.00 0.00 C ATOM 1291 CG TYR A 84 2.560 4.320 10.550 1.00 0.00 C ATOM 1292 CD1 TYR A 84 3.602 4.682 11.373 1.00 0.00 C ATOM 1293 CD2 TYR A 84 1.284 4.275 11.081 1.00 0.00 C ATOM 1294 CE1 TYR A 84 3.394 4.993 12.688 1.00 0.00 C ATOM 1295 CE2 TYR A 84 1.058 4.582 12.406 1.00 0.00 C ATOM 1296 CZ TYR A 84 2.119 4.942 13.208 1.00 0.00 C ATOM 1297 OH TYR A 84 1.904 5.254 14.532 1.00 0.00 O ATOM 0 H TYR A 84 3.024 3.892 6.643 1.00 0.00 H new ATOM 0 HA TYR A 84 1.753 5.714 8.340 1.00 0.00 H new ATOM 0 HB2 TYR A 84 2.081 3.274 8.766 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.795 3.554 9.002 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.604 4.721 10.972 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.454 3.996 10.450 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.225 5.277 13.316 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.058 4.541 12.812 1.00 0.00 H new ATOM 0 HH TYR A 84 0.949 5.169 14.737 1.00 0.00 H new ATOM 1307 N THR A 85 5.071 5.940 8.375 1.00 0.00 N ATOM 1308 CA THR A 85 6.203 6.813 8.742 1.00 0.00 C ATOM 1309 C THR A 85 5.948 8.272 8.317 1.00 0.00 C ATOM 1310 O THR A 85 6.159 9.195 9.111 1.00 0.00 O ATOM 1311 CB THR A 85 7.526 6.298 8.128 1.00 0.00 C ATOM 1312 OG1 THR A 85 7.527 4.880 8.004 1.00 0.00 O ATOM 1313 CG2 THR A 85 8.753 6.671 8.928 1.00 0.00 C ATOM 0 H THR A 85 5.348 5.067 7.927 1.00 0.00 H new ATOM 0 HA THR A 85 6.294 6.787 9.828 1.00 0.00 H new ATOM 0 HB THR A 85 7.576 6.782 7.153 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.873 4.610 7.326 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.642 6.276 8.436 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.828 7.756 8.995 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.676 6.250 9.930 1.00 0.00 H new ATOM 1321 N LEU A 86 5.456 8.463 7.080 1.00 0.00 N ATOM 1322 CA LEU A 86 5.131 9.795 6.561 1.00 0.00 C ATOM 1323 C LEU A 86 4.135 10.490 7.485 1.00 0.00 C ATOM 1324 O LEU A 86 4.471 11.477 8.146 1.00 0.00 O ATOM 1325 CB LEU A 86 4.491 9.664 5.176 1.00 0.00 C ATOM 1326 CG LEU A 86 5.370 9.908 3.921 1.00 0.00 C ATOM 1327 CD1 LEU A 86 6.670 10.623 4.246 1.00 0.00 C ATOM 1328 CD2 LEU A 86 5.638 8.618 3.168 1.00 0.00 C ATOM 0 H LEU A 86 5.276 7.705 6.422 1.00 0.00 H new ATOM 0 HA LEU A 86 6.050 10.378 6.501 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.076 8.659 5.098 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.653 10.360 5.132 1.00 0.00 H new ATOM 0 HG LEU A 86 4.796 10.569 3.272 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.245 10.767 3.331 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.450 11.593 4.693 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.250 10.023 4.948 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.256 8.828 2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.158 7.917 3.821 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.693 8.181 2.846 1.00 0.00 H new ATOM 1340 N PHE A 87 2.898 9.952 7.518 1.00 0.00 N ATOM 1341 CA PHE A 87 1.789 10.505 8.329 1.00 0.00 C ATOM 1342 C PHE A 87 2.093 10.621 9.809 1.00 0.00 C ATOM 1343 O PHE A 87 1.368 11.313 10.535 1.00 0.00 O ATOM 1344 CB PHE A 87 0.514 9.716 8.108 1.00 0.00 C ATOM 1345 CG PHE A 87 0.054 9.820 6.699 1.00 0.00 C ATOM 1346 CD1 PHE A 87 -0.318 11.042 6.177 1.00 0.00 C ATOM 1347 CD2 PHE A 87 0.044 8.716 5.880 1.00 0.00 C ATOM 1348 CE1 PHE A 87 -0.700 11.157 4.875 1.00 0.00 C ATOM 1349 CE2 PHE A 87 -0.331 8.827 4.571 1.00 0.00 C ATOM 1350 CZ PHE A 87 -0.704 10.053 4.068 1.00 0.00 C ATOM 0 H PHE A 87 2.638 9.123 6.984 1.00 0.00 H new ATOM 0 HA PHE A 87 1.654 11.527 7.975 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.682 8.669 8.362 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.265 10.084 8.776 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.306 11.918 6.809 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.335 7.754 6.274 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.999 12.117 4.481 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.335 7.956 3.933 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.001 10.143 3.033 1.00 0.00 H new ATOM 1360 N SER A 88 3.163 9.997 10.255 1.00 0.00 N ATOM 1361 CA SER A 88 3.570 10.109 11.623 1.00 0.00 C ATOM 1362 C SER A 88 4.139 11.524 11.875 1.00 0.00 C ATOM 1363 O SER A 88 3.999 12.069 12.975 1.00 0.00 O ATOM 1364 CB SER A 88 4.630 9.075 11.921 1.00 0.00 C ATOM 1365 OG SER A 88 4.224 7.739 11.580 1.00 0.00 O ATOM 0 H SER A 88 3.763 9.406 9.680 1.00 0.00 H new ATOM 0 HA SER A 88 2.711 9.942 12.274 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.538 9.324 11.371 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.879 9.113 12.981 1.00 0.00 H new ATOM 0 HG SER A 88 4.282 7.617 10.609 1.00 0.00 H new ATOM 1371 N SER A 89 4.726 12.125 10.834 1.00 0.00 N ATOM 1372 CA SER A 89 5.274 13.472 10.913 1.00 0.00 C ATOM 1373 C SER A 89 4.218 14.496 10.507 1.00 0.00 C ATOM 1374 O SER A 89 3.568 14.336 9.469 1.00 0.00 O ATOM 1375 CB SER A 89 6.513 13.620 9.993 1.00 0.00 C ATOM 1376 OG SER A 89 6.716 12.458 9.163 1.00 0.00 O ATOM 0 H SER A 89 4.831 11.688 9.918 1.00 0.00 H new ATOM 0 HA SER A 89 5.578 13.651 11.944 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.391 14.499 9.361 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.400 13.787 10.604 1.00 0.00 H new ATOM 0 HG SER A 89 5.920 12.307 8.612 1.00 0.00 H new ATOM 1382 N TYR A 90 4.105 15.587 11.277 1.00 0.00 N ATOM 1383 CA TYR A 90 3.183 16.681 10.924 1.00 0.00 C ATOM 1384 C TYR A 90 3.499 17.177 9.513 1.00 0.00 C ATOM 1385 O TYR A 90 2.611 17.327 8.684 1.00 0.00 O ATOM 1386 CB TYR A 90 3.288 17.848 11.925 1.00 0.00 C ATOM 1387 CG TYR A 90 2.108 17.966 12.866 1.00 0.00 C ATOM 1388 CD1 TYR A 90 2.095 17.300 14.081 1.00 0.00 C ATOM 1389 CD2 TYR A 90 1.011 18.752 12.542 1.00 0.00 C ATOM 1390 CE1 TYR A 90 1.029 17.415 14.941 1.00 0.00 C ATOM 1391 CE2 TYR A 90 -0.060 18.869 13.398 1.00 0.00 C ATOM 1392 CZ TYR A 90 -0.045 18.198 14.596 1.00 0.00 C ATOM 1393 OH TYR A 90 -1.101 18.322 15.458 1.00 0.00 O ATOM 0 H TYR A 90 4.632 15.737 12.137 1.00 0.00 H new ATOM 0 HA TYR A 90 2.164 16.297 10.962 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.197 17.726 12.514 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.390 18.780 11.370 1.00 0.00 H new ATOM 0 HD1 TYR A 90 2.936 16.681 14.357 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.998 19.282 11.601 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.036 16.891 15.885 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.906 19.484 13.130 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.777 18.912 15.064 1.00 0.00 H new ATOM 1403 N GLY A 91 4.783 17.381 9.227 1.00 0.00 N ATOM 1404 CA GLY A 91 5.178 17.788 7.895 1.00 0.00 C ATOM 1405 C GLY A 91 5.738 16.629 7.121 1.00 0.00 C ATOM 1406 O GLY A 91 6.726 16.011 7.555 1.00 0.00 O ATOM 0 H GLY A 91 5.550 17.272 9.891 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.318 18.201 7.367 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.923 18.581 7.959 1.00 0.00 H new ATOM 1410 N ILE A 92 5.143 16.350 5.975 1.00 0.00 N ATOM 1411 CA ILE A 92 5.599 15.279 5.103 1.00 0.00 C ATOM 1412 C ILE A 92 6.799 15.759 4.304 1.00 0.00 C ATOM 1413 O ILE A 92 6.816 16.909 3.844 1.00 0.00 O ATOM 1414 CB ILE A 92 4.483 14.820 4.126 1.00 0.00 C ATOM 1415 CG1 ILE A 92 3.220 14.457 4.901 1.00 0.00 C ATOM 1416 CG2 ILE A 92 4.946 13.619 3.308 1.00 0.00 C ATOM 1417 CD1 ILE A 92 3.412 13.340 5.906 1.00 0.00 C ATOM 0 H ILE A 92 4.332 16.857 5.622 1.00 0.00 H new ATOM 0 HA ILE A 92 5.872 14.428 5.728 1.00 0.00 H new ATOM 0 HB ILE A 92 4.263 15.644 3.447 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.859 15.343 5.423 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.443 14.166 4.194 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.150 13.312 2.629 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.830 13.891 2.731 1.00 0.00 H new ATOM 0 HG23 ILE A 92 5.189 12.794 3.978 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.469 13.142 6.415 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.742 12.439 5.390 1.00 0.00 H new ATOM 0 HD13 ILE A 92 4.164 13.634 6.638 1.00 0.00 H new ATOM 1429 N ASN A 93 7.791 14.905 4.132 1.00 0.00 N ATOM 1430 CA ASN A 93 8.991 15.279 3.377 1.00 0.00 C ATOM 1431 C ASN A 93 9.116 14.473 2.112 1.00 0.00 C ATOM 1432 O ASN A 93 8.730 13.289 2.069 1.00 0.00 O ATOM 1433 CB ASN A 93 10.247 15.108 4.211 1.00 0.00 C ATOM 1434 CG ASN A 93 10.188 15.865 5.508 1.00 0.00 C ATOM 1435 OD1 ASN A 93 10.494 17.061 5.555 1.00 0.00 O ATOM 1436 ND2 ASN A 93 9.812 15.190 6.569 1.00 0.00 N ATOM 0 H ASN A 93 7.798 13.953 4.498 1.00 0.00 H new ATOM 0 HA ASN A 93 8.883 16.332 3.116 1.00 0.00 H new ATOM 0 HB2 ASN A 93 10.399 14.049 4.419 1.00 0.00 H new ATOM 0 HB3 ASN A 93 11.109 15.446 3.636 1.00 0.00 H new ATOM 0 HD21 ASN A 93 9.764 15.652 7.477 1.00 0.00 H new ATOM 0 HD22 ASN A 93 9.568 14.203 6.486 1.00 0.00 H new ATOM 1443 N ASP A 94 9.660 15.108 1.076 1.00 0.00 N ATOM 1444 CA ASP A 94 9.833 14.466 -0.225 1.00 0.00 C ATOM 1445 C ASP A 94 10.637 13.167 -0.168 1.00 0.00 C ATOM 1446 O ASP A 94 10.234 12.196 -0.781 1.00 0.00 O ATOM 1447 CB ASP A 94 10.443 15.413 -1.258 1.00 0.00 C ATOM 1448 CG ASP A 94 9.933 15.127 -2.630 1.00 0.00 C ATOM 1449 OD1 ASP A 94 8.740 15.364 -2.887 1.00 0.00 O ATOM 1450 OD2 ASP A 94 10.708 14.650 -3.453 1.00 0.00 O ATOM 0 H ASP A 94 9.990 16.072 1.113 1.00 0.00 H new ATOM 0 HA ASP A 94 8.823 14.204 -0.540 1.00 0.00 H new ATOM 0 HB2 ASP A 94 10.211 16.444 -0.990 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.529 15.317 -1.245 1.00 0.00 H new ATOM 1455 N PRO A 95 11.823 13.126 0.515 1.00 0.00 N ATOM 1456 CA PRO A 95 12.658 11.905 0.568 1.00 0.00 C ATOM 1457 C PRO A 95 11.844 10.675 0.985 1.00 0.00 C ATOM 1458 O PRO A 95 11.680 9.725 0.198 1.00 0.00 O ATOM 1459 CB PRO A 95 13.722 12.235 1.621 1.00 0.00 C ATOM 1460 CG PRO A 95 13.812 13.725 1.625 1.00 0.00 C ATOM 1461 CD PRO A 95 12.451 14.250 1.242 1.00 0.00 C ATOM 0 HA PRO A 95 13.081 11.654 -0.405 1.00 0.00 H new ATOM 0 HB2 PRO A 95 13.438 11.854 2.602 1.00 0.00 H new ATOM 0 HB3 PRO A 95 14.681 11.782 1.369 1.00 0.00 H new ATOM 0 HG2 PRO A 95 14.104 14.091 2.609 1.00 0.00 H new ATOM 0 HG3 PRO A 95 14.570 14.067 0.920 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.870 14.531 2.121 1.00 0.00 H new ATOM 0 HD3 PRO A 95 12.528 15.138 0.614 1.00 0.00 H new ATOM 1469 N GLU A 96 11.284 10.731 2.190 1.00 0.00 N ATOM 1470 CA GLU A 96 10.450 9.669 2.713 1.00 0.00 C ATOM 1471 C GLU A 96 9.242 9.427 1.798 1.00 0.00 C ATOM 1472 O GLU A 96 8.946 8.281 1.438 1.00 0.00 O ATOM 1473 CB GLU A 96 9.990 10.024 4.131 1.00 0.00 C ATOM 1474 CG GLU A 96 11.117 10.448 5.077 1.00 0.00 C ATOM 1475 CD GLU A 96 11.203 11.926 5.232 1.00 0.00 C ATOM 1476 OE1 GLU A 96 10.455 12.472 6.051 1.00 0.00 O ATOM 1477 OE2 GLU A 96 12.015 12.549 4.527 1.00 0.00 O ATOM 0 H GLU A 96 11.400 11.519 2.828 1.00 0.00 H new ATOM 0 HA GLU A 96 11.033 8.749 2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.260 10.831 4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.478 9.162 4.560 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.958 9.992 6.054 1.00 0.00 H new ATOM 0 HG3 GLU A 96 12.067 10.069 4.699 1.00 0.00 H new ATOM 1484 N LEU A 97 8.562 10.512 1.400 1.00 0.00 N ATOM 1485 CA LEU A 97 7.405 10.394 0.515 1.00 0.00 C ATOM 1486 C LEU A 97 7.776 9.697 -0.787 1.00 0.00 C ATOM 1487 O LEU A 97 7.091 8.754 -1.209 1.00 0.00 O ATOM 1488 CB LEU A 97 6.772 11.754 0.221 1.00 0.00 C ATOM 1489 CG LEU A 97 5.597 11.720 -0.762 1.00 0.00 C ATOM 1490 CD1 LEU A 97 4.404 11.012 -0.157 1.00 0.00 C ATOM 1491 CD2 LEU A 97 5.227 13.112 -1.195 1.00 0.00 C ATOM 0 H LEU A 97 8.793 11.467 1.675 1.00 0.00 H new ATOM 0 HA LEU A 97 6.668 9.786 1.039 1.00 0.00 H new ATOM 0 HB2 LEU A 97 6.429 12.189 1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.540 12.418 -0.176 1.00 0.00 H new ATOM 0 HG LEU A 97 5.910 11.159 -1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.584 11.002 -0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.678 9.988 0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.089 11.536 0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.391 13.066 -1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.940 13.700 -0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.082 13.580 -1.683 1.00 0.00 H new ATOM 1503 N GLN A 98 8.832 10.170 -1.454 1.00 0.00 N ATOM 1504 CA GLN A 98 9.245 9.563 -2.703 1.00 0.00 C ATOM 1505 C GLN A 98 9.665 8.123 -2.498 1.00 0.00 C ATOM 1506 O GLN A 98 9.379 7.276 -3.341 1.00 0.00 O ATOM 1507 CB GLN A 98 10.312 10.387 -3.422 1.00 0.00 C ATOM 1508 CG GLN A 98 9.831 11.786 -3.789 1.00 0.00 C ATOM 1509 CD GLN A 98 8.434 11.809 -4.336 1.00 0.00 C ATOM 1510 OE1 GLN A 98 8.047 10.948 -5.138 1.00 0.00 O ATOM 1511 NE2 GLN A 98 7.663 12.769 -3.922 1.00 0.00 N ATOM 0 H GLN A 98 9.403 10.959 -1.149 1.00 0.00 H new ATOM 0 HA GLN A 98 8.378 9.554 -3.364 1.00 0.00 H new ATOM 0 HB2 GLN A 98 11.193 10.466 -2.785 1.00 0.00 H new ATOM 0 HB3 GLN A 98 10.619 9.864 -4.328 1.00 0.00 H new ATOM 0 HG2 GLN A 98 9.878 12.422 -2.905 1.00 0.00 H new ATOM 0 HG3 GLN A 98 10.510 12.214 -4.527 1.00 0.00 H new ATOM 0 HE21 GLN A 98 8.019 13.459 -3.261 1.00 0.00 H new ATOM 0 HE22 GLN A 98 6.702 12.832 -4.258 1.00 0.00 H new ATOM 1520 N ARG A 99 10.249 7.823 -1.326 1.00 0.00 N ATOM 1521 CA ARG A 99 10.578 6.460 -0.961 1.00 0.00 C ATOM 1522 C ARG A 99 9.301 5.643 -0.956 1.00 0.00 C ATOM 1523 O ARG A 99 9.189 4.640 -1.660 1.00 0.00 O ATOM 1524 CB ARG A 99 11.228 6.408 0.433 1.00 0.00 C ATOM 1525 CG ARG A 99 12.491 5.605 0.457 1.00 0.00 C ATOM 1526 CD ARG A 99 12.232 4.192 -0.040 1.00 0.00 C ATOM 1527 NE ARG A 99 11.399 3.423 0.900 1.00 0.00 N ATOM 1528 CZ ARG A 99 11.842 2.468 1.740 1.00 0.00 C ATOM 1529 NH1 ARG A 99 13.144 2.164 1.794 1.00 0.00 N ATOM 1530 NH2 ARG A 99 10.974 1.842 2.536 1.00 0.00 N ATOM 0 H ARG A 99 10.498 8.518 -0.622 1.00 0.00 H new ATOM 0 HA ARG A 99 11.288 6.056 -1.682 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.443 7.423 0.766 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.519 5.982 1.143 1.00 0.00 H new ATOM 0 HG2 ARG A 99 13.245 6.084 -0.167 1.00 0.00 H new ATOM 0 HG3 ARG A 99 12.890 5.573 1.471 1.00 0.00 H new ATOM 0 HD2 ARG A 99 11.739 4.234 -1.011 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.182 3.679 -0.186 1.00 0.00 H new ATOM 0 HE ARG A 99 10.401 3.632 0.916 1.00 0.00 H new ATOM 0 HH11 ARG A 99 13.808 2.657 1.197 1.00 0.00 H new ATOM 0 HH12 ARG A 99 13.473 1.440 2.433 1.00 0.00 H new ATOM 0 HH21 ARG A 99 9.985 2.088 2.505 1.00 0.00 H new ATOM 0 HH22 ARG A 99 11.300 1.117 3.176 1.00 0.00 H new ATOM 1544 N TRP A 100 8.317 6.156 -0.231 1.00 0.00 N ATOM 1545 CA TRP A 100 6.976 5.578 -0.167 1.00 0.00 C ATOM 1546 C TRP A 100 6.452 5.329 -1.586 1.00 0.00 C ATOM 1547 O TRP A 100 6.058 4.199 -1.924 1.00 0.00 O ATOM 1548 CB TRP A 100 6.052 6.540 0.615 1.00 0.00 C ATOM 1549 CG TRP A 100 4.591 6.240 0.551 1.00 0.00 C ATOM 1550 CD1 TRP A 100 3.930 5.328 1.281 1.00 0.00 C ATOM 1551 CD2 TRP A 100 3.614 6.873 -0.285 1.00 0.00 C ATOM 1552 NE1 TRP A 100 2.601 5.353 0.983 1.00 0.00 N ATOM 1553 CE2 TRP A 100 2.375 6.291 0.015 1.00 0.00 C ATOM 1554 CE3 TRP A 100 3.671 7.874 -1.250 1.00 0.00 C ATOM 1555 CZ2 TRP A 100 1.195 6.679 -0.619 1.00 0.00 C ATOM 1556 CZ3 TRP A 100 2.504 8.261 -1.884 1.00 0.00 C ATOM 1557 CH2 TRP A 100 1.281 7.665 -1.567 1.00 0.00 C ATOM 0 H TRP A 100 8.426 6.996 0.338 1.00 0.00 H new ATOM 0 HA TRP A 100 7.001 4.620 0.352 1.00 0.00 H new ATOM 0 HB2 TRP A 100 6.358 6.536 1.661 1.00 0.00 H new ATOM 0 HB3 TRP A 100 6.212 7.551 0.240 1.00 0.00 H new ATOM 0 HD1 TRP A 100 4.387 4.668 2.003 1.00 0.00 H new ATOM 0 HE1 TRP A 100 1.888 4.765 1.414 1.00 0.00 H new ATOM 0 HE3 TRP A 100 4.612 8.342 -1.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 0.249 6.220 -0.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 2.539 9.036 -2.636 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.386 7.987 -2.079 1.00 0.00 H new ATOM 1568 N GLN A 101 6.521 6.372 -2.434 1.00 0.00 N ATOM 1569 CA GLN A 101 6.115 6.259 -3.844 1.00 0.00 C ATOM 1570 C GLN A 101 6.831 5.081 -4.514 1.00 0.00 C ATOM 1571 O GLN A 101 6.176 4.219 -5.127 1.00 0.00 O ATOM 1572 CB GLN A 101 6.398 7.558 -4.628 1.00 0.00 C ATOM 1573 CG GLN A 101 5.936 8.828 -3.944 1.00 0.00 C ATOM 1574 CD GLN A 101 4.945 9.623 -4.771 1.00 0.00 C ATOM 1575 OE1 GLN A 101 4.601 9.263 -5.899 1.00 0.00 O ATOM 1576 NE2 GLN A 101 4.475 10.695 -4.218 1.00 0.00 N ATOM 0 H GLN A 101 6.853 7.299 -2.167 1.00 0.00 H new ATOM 0 HA GLN A 101 5.039 6.085 -3.859 1.00 0.00 H new ATOM 0 HB2 GLN A 101 7.470 7.630 -4.809 1.00 0.00 H new ATOM 0 HB3 GLN A 101 5.914 7.490 -5.602 1.00 0.00 H new ATOM 0 HG2 GLN A 101 5.480 8.573 -2.988 1.00 0.00 H new ATOM 0 HG3 GLN A 101 6.803 9.453 -3.727 1.00 0.00 H new ATOM 0 HE21 GLN A 101 4.782 10.963 -3.283 1.00 0.00 H new ATOM 0 HE22 GLN A 101 3.798 11.272 -4.717 1.00 0.00 H new ATOM 1585 N LYS A 102 8.170 5.033 -4.368 1.00 0.00 N ATOM 1586 CA LYS A 102 8.984 3.946 -4.929 1.00 0.00 C ATOM 1587 C LYS A 102 8.522 2.586 -4.399 1.00 0.00 C ATOM 1588 O LYS A 102 8.324 1.647 -5.169 1.00 0.00 O ATOM 1589 CB LYS A 102 10.464 4.166 -4.617 1.00 0.00 C ATOM 1590 CG LYS A 102 11.042 5.424 -5.231 1.00 0.00 C ATOM 1591 CD LYS A 102 12.333 5.800 -4.542 1.00 0.00 C ATOM 1592 CE LYS A 102 12.502 7.299 -4.446 1.00 0.00 C ATOM 1593 NZ LYS A 102 12.449 7.975 -5.772 1.00 0.00 N ATOM 0 H LYS A 102 8.708 5.738 -3.864 1.00 0.00 H new ATOM 0 HA LYS A 102 8.853 3.951 -6.011 1.00 0.00 H new ATOM 0 HB2 LYS A 102 10.594 4.209 -3.536 1.00 0.00 H new ATOM 0 HB3 LYS A 102 11.032 3.306 -4.973 1.00 0.00 H new ATOM 0 HG2 LYS A 102 11.222 5.268 -6.295 1.00 0.00 H new ATOM 0 HG3 LYS A 102 10.325 6.241 -5.145 1.00 0.00 H new ATOM 0 HD2 LYS A 102 12.351 5.367 -3.542 1.00 0.00 H new ATOM 0 HD3 LYS A 102 13.174 5.374 -5.088 1.00 0.00 H new ATOM 0 HE2 LYS A 102 11.721 7.707 -3.804 1.00 0.00 H new ATOM 0 HE3 LYS A 102 13.456 7.522 -3.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 12.704 8.977 -5.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 13.119 7.517 -6.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 11.487 7.904 -6.160 1.00 0.00 H new ATOM 1607 N THR A 103 8.314 2.490 -3.092 1.00 0.00 N ATOM 1608 CA THR A 103 7.822 1.254 -2.495 1.00 0.00 C ATOM 1609 C THR A 103 6.475 0.829 -3.146 1.00 0.00 C ATOM 1610 O THR A 103 6.267 -0.357 -3.435 1.00 0.00 O ATOM 1611 CB THR A 103 7.716 1.397 -0.963 1.00 0.00 C ATOM 1612 OG1 THR A 103 8.838 2.118 -0.461 1.00 0.00 O ATOM 1613 CG2 THR A 103 7.683 0.074 -0.228 1.00 0.00 C ATOM 0 H THR A 103 8.477 3.247 -2.428 1.00 0.00 H new ATOM 0 HA THR A 103 8.537 0.455 -2.693 1.00 0.00 H new ATOM 0 HB THR A 103 6.774 1.917 -0.787 1.00 0.00 H new ATOM 0 HG1 THR A 103 8.553 2.690 0.282 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.608 0.255 0.844 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.821 -0.505 -0.560 1.00 0.00 H new ATOM 0 HG23 THR A 103 8.596 -0.482 -0.439 1.00 0.00 H new ATOM 1621 N LYS A 104 5.603 1.804 -3.450 1.00 0.00 N ATOM 1622 CA LYS A 104 4.333 1.506 -4.141 1.00 0.00 C ATOM 1623 C LYS A 104 4.597 0.983 -5.540 1.00 0.00 C ATOM 1624 O LYS A 104 4.103 -0.089 -5.912 1.00 0.00 O ATOM 1625 CB LYS A 104 3.441 2.734 -4.252 1.00 0.00 C ATOM 1626 CG LYS A 104 3.143 3.412 -2.949 1.00 0.00 C ATOM 1627 CD LYS A 104 2.325 4.692 -3.142 1.00 0.00 C ATOM 1628 CE LYS A 104 0.972 4.461 -3.844 1.00 0.00 C ATOM 1629 NZ LYS A 104 0.243 3.238 -3.373 1.00 0.00 N ATOM 0 H LYS A 104 5.748 2.790 -3.234 1.00 0.00 H new ATOM 0 HA LYS A 104 3.824 0.751 -3.542 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.917 3.453 -4.919 1.00 0.00 H new ATOM 0 HB3 LYS A 104 2.500 2.442 -4.717 1.00 0.00 H new ATOM 0 HG2 LYS A 104 2.597 2.727 -2.301 1.00 0.00 H new ATOM 0 HG3 LYS A 104 4.078 3.652 -2.443 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.146 5.149 -2.169 1.00 0.00 H new ATOM 0 HD3 LYS A 104 2.911 5.403 -3.725 1.00 0.00 H new ATOM 0 HE2 LYS A 104 0.338 5.333 -3.685 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.140 4.380 -4.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -0.765 3.320 -3.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.643 2.396 -3.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.345 3.149 -2.342 1.00 0.00 H new ATOM 1643 N GLU A 105 5.367 1.745 -6.322 1.00 0.00 N ATOM 1644 CA GLU A 105 5.684 1.327 -7.692 1.00 0.00 C ATOM 1645 C GLU A 105 6.389 -0.029 -7.696 1.00 0.00 C ATOM 1646 O GLU A 105 6.083 -0.879 -8.527 1.00 0.00 O ATOM 1647 CB GLU A 105 6.474 2.384 -8.478 1.00 0.00 C ATOM 1648 CG GLU A 105 7.685 2.962 -7.769 1.00 0.00 C ATOM 1649 CD GLU A 105 8.586 3.719 -8.691 1.00 0.00 C ATOM 1650 OE1 GLU A 105 8.908 3.203 -9.773 1.00 0.00 O ATOM 1651 OE2 GLU A 105 8.977 4.842 -8.352 1.00 0.00 O ATOM 0 H GLU A 105 5.775 2.636 -6.039 1.00 0.00 H new ATOM 0 HA GLU A 105 4.735 1.220 -8.216 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.803 1.941 -9.418 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.799 3.202 -8.731 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.351 3.623 -6.969 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.247 2.154 -7.301 1.00 0.00 H new ATOM 1658 N ARG A 106 7.252 -0.264 -6.688 1.00 0.00 N ATOM 1659 CA ARG A 106 7.886 -1.574 -6.500 1.00 0.00 C ATOM 1660 C ARG A 106 6.802 -2.652 -6.483 1.00 0.00 C ATOM 1661 O ARG A 106 6.840 -3.580 -7.274 1.00 0.00 O ATOM 1662 CB ARG A 106 8.662 -1.614 -5.183 1.00 0.00 C ATOM 1663 CG ARG A 106 10.105 -1.185 -5.282 1.00 0.00 C ATOM 1664 CD ARG A 106 10.632 -0.797 -3.909 1.00 0.00 C ATOM 1665 NE ARG A 106 11.927 -1.422 -3.598 1.00 0.00 N ATOM 1666 CZ ARG A 106 12.256 -1.966 -2.401 1.00 0.00 C ATOM 1667 NH1 ARG A 106 11.380 -1.970 -1.397 1.00 0.00 N ATOM 1668 NH2 ARG A 106 13.456 -2.485 -2.220 1.00 0.00 N ATOM 0 H ARG A 106 7.522 0.436 -5.997 1.00 0.00 H new ATOM 0 HA ARG A 106 8.583 -1.752 -7.319 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.156 -0.973 -4.461 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.626 -2.629 -4.788 1.00 0.00 H new ATOM 0 HG2 ARG A 106 10.706 -1.996 -5.695 1.00 0.00 H new ATOM 0 HG3 ARG A 106 10.195 -0.341 -5.966 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.735 0.287 -3.857 1.00 0.00 H new ATOM 0 HD3 ARG A 106 9.904 -1.084 -3.151 1.00 0.00 H new ATOM 0 HE ARG A 106 12.629 -1.448 -4.338 1.00 0.00 H new ATOM 0 HH11 ARG A 106 10.454 -1.562 -1.526 1.00 0.00 H new ATOM 0 HH12 ARG A 106 11.635 -2.381 -0.499 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.135 -2.477 -2.981 1.00 0.00 H new ATOM 0 HH22 ARG A 106 13.704 -2.894 -1.319 1.00 0.00 H new ATOM 1682 N LEU A 107 5.780 -2.461 -5.626 1.00 0.00 N ATOM 1683 CA LEU A 107 4.625 -3.378 -5.575 1.00 0.00 C ATOM 1684 C LEU A 107 3.990 -3.521 -6.972 1.00 0.00 C ATOM 1685 O LEU A 107 3.586 -4.612 -7.380 1.00 0.00 O ATOM 1686 CB LEU A 107 3.552 -2.864 -4.602 1.00 0.00 C ATOM 1687 CG LEU A 107 3.634 -3.368 -3.160 1.00 0.00 C ATOM 1688 CD1 LEU A 107 4.423 -2.403 -2.301 1.00 0.00 C ATOM 1689 CD2 LEU A 107 2.244 -3.556 -2.596 1.00 0.00 C ATOM 0 H LEU A 107 5.731 -1.686 -4.964 1.00 0.00 H new ATOM 0 HA LEU A 107 4.992 -4.345 -5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.601 -1.775 -4.585 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.574 -3.133 -5.001 1.00 0.00 H new ATOM 0 HG LEU A 107 4.149 -4.329 -3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.470 -2.780 -1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.433 -2.305 -2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.935 -1.428 -2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.313 -3.915 -1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.713 -2.604 -2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.702 -4.284 -3.199 1.00 0.00 H new ATOM 1701 N PHE A 108 3.919 -2.405 -7.700 1.00 0.00 N ATOM 1702 CA PHE A 108 3.363 -2.377 -9.054 1.00 0.00 C ATOM 1703 C PHE A 108 4.161 -3.245 -9.973 1.00 0.00 C ATOM 1704 O PHE A 108 3.589 -3.924 -10.801 1.00 0.00 O ATOM 1705 CB PHE A 108 3.264 -0.956 -9.617 1.00 0.00 C ATOM 1706 CG PHE A 108 1.945 -0.330 -9.351 1.00 0.00 C ATOM 1707 CD1 PHE A 108 1.514 -0.159 -8.056 1.00 0.00 C ATOM 1708 CD2 PHE A 108 1.124 0.073 -10.386 1.00 0.00 C ATOM 1709 CE1 PHE A 108 0.305 0.395 -7.788 1.00 0.00 C ATOM 1710 CE2 PHE A 108 -0.102 0.633 -10.126 1.00 0.00 C ATOM 1711 CZ PHE A 108 -0.516 0.798 -8.823 1.00 0.00 C ATOM 0 H PHE A 108 4.245 -1.497 -7.368 1.00 0.00 H new ATOM 0 HA PHE A 108 2.348 -2.769 -8.985 1.00 0.00 H new ATOM 0 HB2 PHE A 108 4.050 -0.340 -9.180 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.440 -0.982 -10.692 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.148 -0.471 -7.239 1.00 0.00 H new ATOM 0 HD2 PHE A 108 1.449 -0.053 -11.408 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -0.016 0.521 -6.764 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.740 0.943 -10.941 1.00 0.00 H new ATOM 0 HZ PHE A 108 -1.478 1.240 -8.611 1.00 0.00 H new ATOM 1721 N ARG A 109 5.476 -3.298 -9.778 1.00 0.00 N ATOM 1722 CA ARG A 109 6.308 -4.207 -10.557 1.00 0.00 C ATOM 1723 C ARG A 109 5.737 -5.610 -10.410 1.00 0.00 C ATOM 1724 O ARG A 109 5.412 -6.268 -11.403 1.00 0.00 O ATOM 1725 CB ARG A 109 7.777 -4.199 -10.076 1.00 0.00 C ATOM 1726 CG ARG A 109 8.360 -2.818 -9.794 1.00 0.00 C ATOM 1727 CD ARG A 109 8.843 -2.149 -11.069 1.00 0.00 C ATOM 1728 NE ARG A 109 8.079 -0.944 -11.394 1.00 0.00 N ATOM 1729 CZ ARG A 109 8.375 0.297 -10.953 1.00 0.00 C ATOM 1730 NH1 ARG A 109 9.393 0.493 -10.109 1.00 0.00 N ATOM 1731 NH2 ARG A 109 7.652 1.336 -11.357 1.00 0.00 N ATOM 0 H ARG A 109 5.982 -2.731 -9.097 1.00 0.00 H new ATOM 0 HA ARG A 109 6.303 -3.883 -11.598 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.849 -4.798 -9.168 1.00 0.00 H new ATOM 0 HB3 ARG A 109 8.392 -4.689 -10.831 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.605 -2.193 -9.317 1.00 0.00 H new ATOM 0 HG3 ARG A 109 9.189 -2.908 -9.092 1.00 0.00 H new ATOM 0 HD2 ARG A 109 9.896 -1.890 -10.963 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.770 -2.855 -11.896 1.00 0.00 H new ATOM 0 HE ARG A 109 7.264 -1.049 -11.998 1.00 0.00 H new ATOM 0 HH11 ARG A 109 9.953 -0.299 -9.793 1.00 0.00 H new ATOM 0 HH12 ARG A 109 9.610 1.434 -9.781 1.00 0.00 H new ATOM 0 HH21 ARG A 109 6.873 1.196 -12.000 1.00 0.00 H new ATOM 0 HH22 ARG A 109 7.876 2.274 -11.024 1.00 0.00 H new ATOM 1745 N LEU A 110 5.527 -6.018 -9.150 1.00 0.00 N ATOM 1746 CA LEU A 110 4.960 -7.277 -8.812 1.00 0.00 C ATOM 1747 C LEU A 110 3.543 -7.453 -9.387 1.00 0.00 C ATOM 1748 O LEU A 110 3.219 -8.516 -9.952 1.00 0.00 O ATOM 1749 CB LEU A 110 4.983 -7.400 -7.298 1.00 0.00 C ATOM 1750 CG LEU A 110 6.395 -7.579 -6.710 1.00 0.00 C ATOM 1751 CD1 LEU A 110 7.096 -6.271 -6.525 1.00 0.00 C ATOM 1752 CD2 LEU A 110 6.421 -8.382 -5.432 1.00 0.00 C ATOM 0 H LEU A 110 5.762 -5.448 -8.337 1.00 0.00 H new ATOM 0 HA LEU A 110 5.548 -8.078 -9.259 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.529 -6.509 -6.864 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.366 -8.249 -7.002 1.00 0.00 H new ATOM 0 HG LEU A 110 6.940 -8.159 -7.454 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.088 -6.446 -6.108 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.190 -5.769 -7.488 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.521 -5.643 -5.844 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.448 -8.467 -5.076 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.815 -7.882 -4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.019 -9.378 -5.620 1.00 0.00 H new ATOM 1764 N PHE A 111 2.706 -6.423 -9.241 1.00 0.00 N ATOM 1765 CA PHE A 111 1.312 -6.470 -9.728 1.00 0.00 C ATOM 1766 C PHE A 111 1.186 -6.304 -11.252 1.00 0.00 C ATOM 1767 O PHE A 111 0.195 -6.739 -11.829 1.00 0.00 O ATOM 1768 CB PHE A 111 0.432 -5.432 -9.012 1.00 0.00 C ATOM 1769 CG PHE A 111 -0.021 -5.871 -7.648 1.00 0.00 C ATOM 1770 CD1 PHE A 111 -1.097 -6.735 -7.501 1.00 0.00 C ATOM 1771 CD2 PHE A 111 0.633 -5.430 -6.513 1.00 0.00 C ATOM 1772 CE1 PHE A 111 -1.507 -7.143 -6.248 1.00 0.00 C ATOM 1773 CE2 PHE A 111 0.230 -5.838 -5.261 1.00 0.00 C ATOM 1774 CZ PHE A 111 -0.842 -6.695 -5.128 1.00 0.00 C ATOM 0 H PHE A 111 2.962 -5.544 -8.791 1.00 0.00 H new ATOM 0 HA PHE A 111 0.956 -7.472 -9.488 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.987 -4.499 -8.919 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -0.443 -5.223 -9.627 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -1.619 -7.092 -8.376 1.00 0.00 H new ATOM 0 HD2 PHE A 111 1.472 -4.756 -6.609 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.348 -7.813 -6.146 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.753 -5.487 -4.384 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.160 -7.015 -4.147 1.00 0.00 H new ATOM 1784 N SER A 112 2.147 -5.639 -11.889 1.00 0.00 N ATOM 1785 CA SER A 112 2.099 -5.359 -13.341 1.00 0.00 C ATOM 1786 C SER A 112 2.489 -6.554 -14.231 1.00 0.00 C ATOM 1787 O SER A 112 2.711 -6.372 -15.441 1.00 0.00 O ATOM 1788 CB SER A 112 2.952 -4.130 -13.694 1.00 0.00 C ATOM 1789 OG SER A 112 2.367 -2.930 -13.176 1.00 0.00 O ATOM 0 H SER A 112 2.980 -5.277 -11.426 1.00 0.00 H new ATOM 0 HA SER A 112 1.051 -5.153 -13.558 1.00 0.00 H new ATOM 0 HB2 SER A 112 3.957 -4.252 -13.289 1.00 0.00 H new ATOM 0 HB3 SER A 112 3.052 -4.052 -14.777 1.00 0.00 H new ATOM 0 HG SER A 112 2.570 -2.853 -12.220 1.00 0.00 H new ATOM 1795 N GLY A 113 2.523 -7.770 -13.678 1.00 0.00 N ATOM 1796 CA GLY A 113 2.819 -8.926 -14.507 1.00 0.00 C ATOM 1797 C GLY A 113 3.935 -9.818 -14.014 1.00 0.00 C ATOM 1798 O GLY A 113 4.333 -10.725 -14.747 1.00 0.00 O ATOM 0 H GLY A 113 2.354 -7.970 -12.692 1.00 0.00 H new ATOM 0 HA2 GLY A 113 1.913 -9.526 -14.599 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.073 -8.577 -15.508 1.00 0.00 H new ATOM 1802 N GLU A 114 4.417 -9.633 -12.766 1.00 0.00 N ATOM 1803 CA GLU A 114 5.436 -10.538 -12.241 1.00 0.00 C ATOM 1804 C GLU A 114 4.790 -11.922 -11.978 1.00 0.00 C ATOM 1805 O GLU A 114 4.572 -12.696 -12.898 1.00 0.00 O ATOM 1806 CB GLU A 114 6.113 -9.985 -10.945 1.00 0.00 C ATOM 1807 CG GLU A 114 6.963 -8.726 -11.119 1.00 0.00 C ATOM 1808 CD GLU A 114 8.349 -8.878 -10.579 1.00 0.00 C ATOM 1809 OE1 GLU A 114 8.523 -8.847 -9.347 1.00 0.00 O ATOM 1810 OE2 GLU A 114 9.267 -9.026 -11.382 1.00 0.00 O ATOM 0 H GLU A 114 4.124 -8.891 -12.131 1.00 0.00 H new ATOM 0 HA GLU A 114 6.228 -10.631 -12.984 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.333 -9.775 -10.213 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.742 -10.769 -10.524 1.00 0.00 H new ATOM 0 HG2 GLU A 114 7.017 -8.474 -12.178 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.473 -7.891 -10.618 1.00 0.00 H new ATOM 1817 N TYR A 115 4.457 -12.189 -10.723 1.00 0.00 N ATOM 1818 CA TYR A 115 3.822 -13.449 -10.298 1.00 0.00 C ATOM 1819 C TYR A 115 2.295 -13.364 -10.352 1.00 0.00 C ATOM 1820 O TYR A 115 1.618 -14.354 -10.641 1.00 0.00 O ATOM 1821 CB TYR A 115 4.303 -13.870 -8.871 1.00 0.00 C ATOM 1822 CG TYR A 115 5.412 -12.989 -8.359 1.00 0.00 C ATOM 1823 CD1 TYR A 115 6.731 -13.234 -8.695 1.00 0.00 C ATOM 1824 CD2 TYR A 115 5.121 -11.856 -7.629 1.00 0.00 C ATOM 1825 CE1 TYR A 115 7.727 -12.371 -8.315 1.00 0.00 C ATOM 1826 CE2 TYR A 115 6.104 -11.004 -7.236 1.00 0.00 C ATOM 1827 CZ TYR A 115 7.408 -11.257 -7.585 1.00 0.00 C ATOM 1828 OH TYR A 115 8.387 -10.382 -7.220 1.00 0.00 O ATOM 0 H TYR A 115 4.618 -11.536 -9.956 1.00 0.00 H new ATOM 0 HA TYR A 115 4.133 -14.218 -11.005 1.00 0.00 H new ATOM 0 HB2 TYR A 115 3.461 -13.830 -8.180 1.00 0.00 H new ATOM 0 HB3 TYR A 115 4.646 -14.904 -8.896 1.00 0.00 H new ATOM 0 HD1 TYR A 115 6.980 -14.117 -9.265 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.096 -11.642 -7.365 1.00 0.00 H new ATOM 0 HE1 TYR A 115 8.753 -12.568 -8.589 1.00 0.00 H new ATOM 0 HE2 TYR A 115 5.860 -10.130 -6.650 1.00 0.00 H new ATOM 0 HH TYR A 115 8.419 -9.641 -7.861 1.00 0.00 H new ATOM 1838 N ILE A 116 1.759 -12.182 -9.995 1.00 0.00 N ATOM 1839 CA ILE A 116 0.316 -11.953 -9.876 1.00 0.00 C ATOM 1840 C ILE A 116 -0.503 -12.617 -10.997 1.00 0.00 C ATOM 1841 O ILE A 116 -1.445 -13.347 -10.701 1.00 0.00 O ATOM 1842 CB ILE A 116 -0.016 -10.427 -9.772 1.00 0.00 C ATOM 1843 CG1 ILE A 116 0.604 -9.828 -8.499 1.00 0.00 C ATOM 1844 CG2 ILE A 116 -1.517 -10.192 -9.770 1.00 0.00 C ATOM 1845 CD1 ILE A 116 0.086 -10.448 -7.215 1.00 0.00 C ATOM 0 H ILE A 116 2.321 -11.358 -9.781 1.00 0.00 H new ATOM 0 HA ILE A 116 0.016 -12.437 -8.947 1.00 0.00 H new ATOM 0 HB ILE A 116 0.411 -9.934 -10.645 1.00 0.00 H new ATOM 0 HG12 ILE A 116 1.686 -9.952 -8.540 1.00 0.00 H new ATOM 0 HG13 ILE A 116 0.406 -8.756 -8.479 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -1.718 -9.123 -9.697 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -1.947 -10.580 -10.693 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -1.964 -10.704 -8.918 1.00 0.00 H new ATOM 0 HD11 ILE A 116 0.570 -9.974 -6.361 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -0.992 -10.301 -7.149 1.00 0.00 H new ATOM 0 HD13 ILE A 116 0.308 -11.515 -7.211 1.00 0.00 H new ATOM 1857 N SER A 117 -0.148 -12.364 -12.257 1.00 0.00 N ATOM 1858 CA SER A 117 -0.881 -12.947 -13.400 1.00 0.00 C ATOM 1859 C SER A 117 -1.057 -14.473 -13.253 1.00 0.00 C ATOM 1860 O SER A 117 -2.157 -14.994 -13.436 1.00 0.00 O ATOM 1861 CB SER A 117 -0.189 -12.605 -14.726 1.00 0.00 C ATOM 1862 OG SER A 117 0.883 -11.655 -14.533 1.00 0.00 O ATOM 0 H SER A 117 0.635 -11.765 -12.519 1.00 0.00 H new ATOM 0 HA SER A 117 -1.876 -12.503 -13.405 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.206 -13.515 -15.177 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.919 -12.195 -15.424 1.00 0.00 H new ATOM 0 HG SER A 117 1.305 -11.459 -15.395 1.00 0.00 H new