USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 773 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 31 LYS NZ :NH3+ -151:sc= -0.0574 (180deg=-1.09) USER MOD Set 1.2: A 33 GLN : amide:sc= -0.975 K(o=-1,f=-4.2!) USER MOD Single : A 13 CYS SG : rot 43:sc= 0.159 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 162:sc= -0.0445 (180deg=-0.324) USER MOD Single : A 32 HIS : no HD1:sc= -6.19! C(o=-6.2!,f=-6.5!) USER MOD Single : A 39 GLN : amide:sc= -1.42 K(o=-1.4,f=-2.3!) USER MOD Single : A 47 ASN : amide:sc= -0.0077 X(o=-0.0077,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -167:sc= -0.257! (180deg=-0.622!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN :FLIP amide:sc= -3.17! C(o=-3.9!,f=-3.2!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.24) USER MOD Single : A 69 SER OG : rot 180:sc= -0.0409 USER MOD Single : A 79 ASN : amide:sc= 0.747 K(o=0.75,f=-4.7!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.0059 X(o=-0.0059,f=-0.05) USER MOD Single : A 94 GLN : amide:sc= -0.0294 K(o=-0.029,f=-0.61) USER MOD Single : A 96 GLN : amide:sc= -0.56 X(o=-0.56,f=-0.064) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -51:sc= 0.327 USER MOD ----------------------------------------------------------------- ATOM 83 N ALA A 9 9.949 12.343 -16.358 1.00 0.00 N ATOM 84 CA ALA A 9 10.643 11.653 -15.277 1.00 0.00 C ATOM 85 C ALA A 9 10.901 10.193 -15.634 1.00 0.00 C ATOM 86 O ALA A 9 10.175 9.602 -16.433 1.00 0.00 O ATOM 87 CB ALA A 9 9.841 11.750 -13.988 1.00 0.00 C ATOM 0 HA ALA A 9 11.607 12.139 -15.129 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.371 11.231 -13.190 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.713 12.798 -13.717 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.863 11.291 -14.133 1.00 0.00 H new ATOM 93 N ALA A 10 11.939 9.617 -15.037 1.00 0.00 N ATOM 94 CA ALA A 10 12.291 8.226 -15.291 1.00 0.00 C ATOM 95 C ALA A 10 11.625 7.298 -14.281 1.00 0.00 C ATOM 96 O ALA A 10 11.275 7.697 -13.171 1.00 0.00 O ATOM 97 CB ALA A 10 13.802 8.049 -15.257 1.00 0.00 C ATOM 0 H ALA A 10 12.551 10.093 -14.374 1.00 0.00 H new ATOM 0 HA ALA A 10 11.927 7.961 -16.284 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.050 7.005 -15.448 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.259 8.677 -16.022 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.180 8.338 -14.276 1.00 0.00 H new ATOM 103 N PRO A 11 11.443 6.028 -14.673 1.00 0.00 N ATOM 104 CA PRO A 11 10.817 5.016 -13.817 1.00 0.00 C ATOM 105 C PRO A 11 11.702 4.628 -12.637 1.00 0.00 C ATOM 106 O PRO A 11 12.886 4.334 -12.805 1.00 0.00 O ATOM 107 CB PRO A 11 10.627 3.824 -14.757 1.00 0.00 C ATOM 108 CG PRO A 11 11.670 3.997 -15.806 1.00 0.00 C ATOM 109 CD PRO A 11 11.836 5.481 -15.983 1.00 0.00 C ATOM 0 HA PRO A 11 9.890 5.376 -13.371 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.751 2.879 -14.228 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.627 3.818 -15.191 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.609 3.533 -15.504 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.367 3.524 -16.740 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.863 5.743 -16.236 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.203 5.863 -16.784 1.00 0.00 H new ATOM 117 N LEU A 12 11.120 4.630 -11.442 1.00 0.00 N ATOM 118 CA LEU A 12 11.856 4.277 -10.233 1.00 0.00 C ATOM 119 C LEU A 12 11.457 2.891 -9.737 1.00 0.00 C ATOM 120 O LEU A 12 10.366 2.404 -10.037 1.00 0.00 O ATOM 121 CB LEU A 12 11.603 5.315 -9.138 1.00 0.00 C ATOM 122 CG LEU A 12 10.175 5.852 -9.039 1.00 0.00 C ATOM 123 CD1 LEU A 12 9.843 6.223 -7.602 1.00 0.00 C ATOM 124 CD2 LEU A 12 9.992 7.052 -9.957 1.00 0.00 C ATOM 0 H LEU A 12 10.142 4.872 -11.285 1.00 0.00 H new ATOM 0 HA LEU A 12 12.919 4.264 -10.475 1.00 0.00 H new ATOM 0 HB2 LEU A 12 11.871 4.874 -8.178 1.00 0.00 H new ATOM 0 HB3 LEU A 12 12.276 6.157 -9.301 1.00 0.00 H new ATOM 0 HG LEU A 12 9.489 5.067 -9.358 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.823 6.603 -7.551 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.934 5.341 -6.968 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.534 6.991 -7.256 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.970 7.421 -9.874 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.687 7.840 -9.668 1.00 0.00 H new ATOM 0 HD23 LEU A 12 10.188 6.755 -10.987 1.00 0.00 H new ATOM 136 N CYS A 13 12.346 2.262 -8.977 1.00 0.00 N ATOM 137 CA CYS A 13 12.086 0.931 -8.438 1.00 0.00 C ATOM 138 C CYS A 13 12.008 0.967 -6.915 1.00 0.00 C ATOM 139 O CYS A 13 12.847 1.579 -6.254 1.00 0.00 O ATOM 140 CB CYS A 13 13.177 -0.044 -8.882 1.00 0.00 C ATOM 141 SG CYS A 13 13.106 -1.654 -8.063 1.00 0.00 S ATOM 0 H CYS A 13 13.253 2.651 -8.720 1.00 0.00 H new ATOM 0 HA CYS A 13 11.126 0.590 -8.825 1.00 0.00 H new ATOM 0 HB2 CYS A 13 13.100 -0.193 -9.959 1.00 0.00 H new ATOM 0 HB3 CYS A 13 14.151 0.406 -8.691 1.00 0.00 H new ATOM 0 HG CYS A 13 11.870 -2.052 -7.995 1.00 0.00 H new ATOM 147 N VAL A 14 10.994 0.308 -6.364 1.00 0.00 N ATOM 148 CA VAL A 14 10.805 0.264 -4.919 1.00 0.00 C ATOM 149 C VAL A 14 10.555 -1.161 -4.440 1.00 0.00 C ATOM 150 O VAL A 14 9.891 -1.948 -5.116 1.00 0.00 O ATOM 151 CB VAL A 14 9.629 1.156 -4.479 1.00 0.00 C ATOM 152 CG1 VAL A 14 9.949 2.622 -4.728 1.00 0.00 C ATOM 153 CG2 VAL A 14 8.354 0.750 -5.202 1.00 0.00 C ATOM 0 H VAL A 14 10.290 -0.203 -6.897 1.00 0.00 H new ATOM 0 HA VAL A 14 11.724 0.639 -4.469 1.00 0.00 H new ATOM 0 HB VAL A 14 9.472 1.020 -3.409 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.107 3.237 -4.411 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.837 2.902 -4.161 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.133 2.779 -5.791 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.533 1.390 -4.879 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.496 0.856 -6.277 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.118 -0.288 -4.968 1.00 0.00 H new ATOM 163 N LYS A 15 11.089 -1.488 -3.268 1.00 0.00 N ATOM 164 CA LYS A 15 10.923 -2.819 -2.696 1.00 0.00 C ATOM 165 C LYS A 15 9.718 -2.862 -1.761 1.00 0.00 C ATOM 166 O LYS A 15 9.699 -2.198 -0.725 1.00 0.00 O ATOM 167 CB LYS A 15 12.186 -3.232 -1.937 1.00 0.00 C ATOM 168 CG LYS A 15 13.228 -3.907 -2.811 1.00 0.00 C ATOM 169 CD LYS A 15 14.453 -4.312 -2.008 1.00 0.00 C ATOM 170 CE LYS A 15 15.486 -3.197 -1.967 1.00 0.00 C ATOM 171 NZ LYS A 15 16.839 -3.707 -1.612 1.00 0.00 N ATOM 0 H LYS A 15 11.641 -0.849 -2.695 1.00 0.00 H new ATOM 0 HA LYS A 15 10.753 -3.520 -3.513 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.628 -2.349 -1.476 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.909 -3.908 -1.128 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.793 -4.788 -3.282 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.525 -3.231 -3.613 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.154 -4.570 -0.992 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.898 -5.205 -2.446 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.527 -2.704 -2.938 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.179 -2.444 -1.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 17.514 -2.916 -1.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.806 -4.155 -0.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 17.143 -4.406 -2.319 1.00 0.00 H new ATOM 185 N VAL A 16 8.714 -3.650 -2.133 1.00 0.00 N ATOM 186 CA VAL A 16 7.507 -3.783 -1.327 1.00 0.00 C ATOM 187 C VAL A 16 7.539 -5.060 -0.495 1.00 0.00 C ATOM 188 O VAL A 16 7.772 -6.148 -1.020 1.00 0.00 O ATOM 189 CB VAL A 16 6.242 -3.787 -2.206 1.00 0.00 C ATOM 190 CG1 VAL A 16 4.997 -3.959 -1.350 1.00 0.00 C ATOM 191 CG2 VAL A 16 6.162 -2.511 -3.029 1.00 0.00 C ATOM 0 H VAL A 16 8.713 -4.206 -2.988 1.00 0.00 H new ATOM 0 HA VAL A 16 7.475 -2.920 -0.661 1.00 0.00 H new ATOM 0 HB VAL A 16 6.300 -4.632 -2.893 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.114 -3.959 -1.989 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.055 -4.904 -0.810 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.929 -3.137 -0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.262 -2.531 -3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.127 -1.650 -2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.039 -2.437 -3.672 1.00 0.00 H new ATOM 201 N GLU A 17 7.302 -4.918 0.806 1.00 0.00 N ATOM 202 CA GLU A 17 7.304 -6.062 1.710 1.00 0.00 C ATOM 203 C GLU A 17 6.014 -6.114 2.524 1.00 0.00 C ATOM 204 O GLU A 17 5.616 -5.126 3.141 1.00 0.00 O ATOM 205 CB GLU A 17 8.510 -5.995 2.650 1.00 0.00 C ATOM 206 CG GLU A 17 8.849 -7.326 3.300 1.00 0.00 C ATOM 207 CD GLU A 17 10.183 -7.299 4.022 1.00 0.00 C ATOM 208 OE1 GLU A 17 10.233 -6.776 5.155 1.00 0.00 O ATOM 209 OE2 GLU A 17 11.175 -7.801 3.454 1.00 0.00 O ATOM 0 H GLU A 17 7.107 -4.024 1.256 1.00 0.00 H new ATOM 0 HA GLU A 17 7.371 -6.968 1.108 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.377 -5.642 2.091 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.312 -5.259 3.430 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.063 -7.592 4.007 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.868 -8.104 2.537 1.00 0.00 H new ATOM 216 N PHE A 18 5.366 -7.274 2.520 1.00 0.00 N ATOM 217 CA PHE A 18 4.120 -7.456 3.256 1.00 0.00 C ATOM 218 C PHE A 18 4.317 -8.410 4.431 1.00 0.00 C ATOM 219 O PHE A 18 5.042 -9.398 4.327 1.00 0.00 O ATOM 220 CB PHE A 18 3.028 -7.991 2.327 1.00 0.00 C ATOM 221 CG PHE A 18 2.652 -7.035 1.231 1.00 0.00 C ATOM 222 CD1 PHE A 18 1.704 -6.048 1.450 1.00 0.00 C ATOM 223 CD2 PHE A 18 3.246 -7.124 -0.017 1.00 0.00 C ATOM 224 CE1 PHE A 18 1.356 -5.168 0.443 1.00 0.00 C ATOM 225 CE2 PHE A 18 2.902 -6.246 -1.028 1.00 0.00 C ATOM 226 CZ PHE A 18 1.956 -5.267 -0.797 1.00 0.00 C ATOM 0 H PHE A 18 5.683 -8.102 2.016 1.00 0.00 H new ATOM 0 HA PHE A 18 3.812 -6.486 3.646 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.367 -8.926 1.882 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.141 -8.222 2.917 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.232 -5.966 2.418 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.986 -7.888 -0.203 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.615 -4.403 0.626 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.372 -6.326 -1.997 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.686 -4.580 -1.585 1.00 0.00 H new ATOM 236 N GLY A 19 3.665 -8.104 5.549 1.00 0.00 N ATOM 237 CA GLY A 19 3.781 -8.943 6.728 1.00 0.00 C ATOM 238 C GLY A 19 3.200 -10.327 6.515 1.00 0.00 C ATOM 239 O GLY A 19 3.110 -10.802 5.384 1.00 0.00 O ATOM 0 H GLY A 19 3.059 -7.291 5.659 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.832 -9.032 7.005 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.271 -8.463 7.563 1.00 0.00 H new ATOM 243 N GLY A 20 2.806 -10.976 7.606 1.00 0.00 N ATOM 244 CA GLY A 20 2.237 -12.308 7.512 1.00 0.00 C ATOM 245 C GLY A 20 0.769 -12.286 7.134 1.00 0.00 C ATOM 246 O GLY A 20 -0.035 -11.613 7.777 1.00 0.00 O ATOM 0 H GLY A 20 2.871 -10.603 8.553 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.791 -12.885 6.772 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.355 -12.819 8.468 1.00 0.00 H new ATOM 250 N GLY A 21 0.419 -13.024 6.084 1.00 0.00 N ATOM 251 CA GLY A 21 -0.961 -13.071 5.638 1.00 0.00 C ATOM 252 C GLY A 21 -1.202 -12.218 4.408 1.00 0.00 C ATOM 253 O GLY A 21 -1.884 -12.642 3.476 1.00 0.00 O ATOM 0 H GLY A 21 1.066 -13.590 5.535 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.234 -14.103 5.420 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.612 -12.733 6.444 1.00 0.00 H new ATOM 257 N ALA A 22 -0.642 -11.013 4.407 1.00 0.00 N ATOM 258 CA ALA A 22 -0.800 -10.099 3.282 1.00 0.00 C ATOM 259 C ALA A 22 -0.093 -10.630 2.040 1.00 0.00 C ATOM 260 O ALA A 22 -0.611 -10.528 0.929 1.00 0.00 O ATOM 261 CB ALA A 22 -0.269 -8.720 3.645 1.00 0.00 C ATOM 0 H ALA A 22 -0.075 -10.647 5.172 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.863 -10.019 3.056 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.393 -8.047 2.796 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.822 -8.331 4.500 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.789 -8.793 3.899 1.00 0.00 H new ATOM 267 N GLU A 23 1.094 -11.197 2.236 1.00 0.00 N ATOM 268 CA GLU A 23 1.872 -11.742 1.130 1.00 0.00 C ATOM 269 C GLU A 23 0.983 -12.541 0.182 1.00 0.00 C ATOM 270 O GLU A 23 1.139 -12.474 -1.038 1.00 0.00 O ATOM 271 CB GLU A 23 2.999 -12.631 1.660 1.00 0.00 C ATOM 272 CG GLU A 23 2.508 -13.834 2.446 1.00 0.00 C ATOM 273 CD GLU A 23 3.535 -14.342 3.439 1.00 0.00 C ATOM 274 OE1 GLU A 23 3.843 -13.609 4.402 1.00 0.00 O ATOM 275 OE2 GLU A 23 4.031 -15.472 3.253 1.00 0.00 O ATOM 0 H GLU A 23 1.537 -11.291 3.150 1.00 0.00 H new ATOM 0 HA GLU A 23 2.305 -10.908 0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.602 -12.978 0.821 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.652 -12.034 2.296 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.595 -13.567 2.978 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.251 -14.635 1.753 1.00 0.00 H new ATOM 282 N LEU A 24 0.051 -13.297 0.750 1.00 0.00 N ATOM 283 CA LEU A 24 -0.864 -14.110 -0.043 1.00 0.00 C ATOM 284 C LEU A 24 -1.600 -13.257 -1.071 1.00 0.00 C ATOM 285 O LEU A 24 -1.792 -13.671 -2.215 1.00 0.00 O ATOM 286 CB LEU A 24 -1.872 -14.815 0.867 1.00 0.00 C ATOM 287 CG LEU A 24 -1.282 -15.623 2.023 1.00 0.00 C ATOM 288 CD1 LEU A 24 -2.384 -16.114 2.948 1.00 0.00 C ATOM 289 CD2 LEU A 24 -0.466 -16.793 1.495 1.00 0.00 C ATOM 0 H LEU A 24 -0.091 -13.364 1.758 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.277 -14.859 -0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.545 -14.064 1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.478 -15.483 0.255 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.619 -14.973 2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.945 -16.687 3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.926 -15.260 3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.073 -16.748 2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.054 -17.356 2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.106 -17.444 0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.348 -16.418 0.874 1.00 0.00 H new ATOM 301 N LEU A 25 -2.008 -12.062 -0.657 1.00 0.00 N ATOM 302 CA LEU A 25 -2.721 -11.148 -1.542 1.00 0.00 C ATOM 303 C LEU A 25 -1.834 -10.715 -2.706 1.00 0.00 C ATOM 304 O LEU A 25 -2.297 -10.064 -3.643 1.00 0.00 O ATOM 305 CB LEU A 25 -3.196 -9.920 -0.764 1.00 0.00 C ATOM 306 CG LEU A 25 -4.368 -10.143 0.192 1.00 0.00 C ATOM 307 CD1 LEU A 25 -4.290 -9.181 1.367 1.00 0.00 C ATOM 308 CD2 LEU A 25 -5.692 -9.984 -0.542 1.00 0.00 C ATOM 0 H LEU A 25 -1.857 -11.704 0.286 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.587 -11.673 -1.945 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.355 -9.530 -0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.479 -9.148 -1.480 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.308 -11.161 0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.133 -9.355 2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.358 -9.342 1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.324 -8.155 1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.515 -10.146 0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.760 -8.978 -0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.750 -10.714 -1.350 1.00 0.00 H new ATOM 320 N PHE A 26 -0.559 -11.082 -2.640 1.00 0.00 N ATOM 321 CA PHE A 26 0.392 -10.733 -3.689 1.00 0.00 C ATOM 322 C PHE A 26 1.255 -11.935 -4.063 1.00 0.00 C ATOM 323 O PHE A 26 2.339 -12.129 -3.514 1.00 0.00 O ATOM 324 CB PHE A 26 1.282 -9.574 -3.235 1.00 0.00 C ATOM 325 CG PHE A 26 0.512 -8.408 -2.682 1.00 0.00 C ATOM 326 CD1 PHE A 26 0.064 -8.416 -1.371 1.00 0.00 C ATOM 327 CD2 PHE A 26 0.237 -7.305 -3.474 1.00 0.00 C ATOM 328 CE1 PHE A 26 -0.644 -7.345 -0.860 1.00 0.00 C ATOM 329 CE2 PHE A 26 -0.471 -6.231 -2.968 1.00 0.00 C ATOM 330 CZ PHE A 26 -0.913 -6.252 -1.659 1.00 0.00 C ATOM 0 H PHE A 26 -0.160 -11.621 -1.871 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.173 -10.425 -4.569 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.975 -9.935 -2.475 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.883 -9.235 -4.079 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.270 -9.269 -0.741 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.580 -7.284 -4.498 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.987 -7.363 0.164 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.678 -5.376 -3.595 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.468 -5.415 -1.262 1.00 0.00 H new ATOM 340 N ASP A 27 0.765 -12.738 -5.001 1.00 0.00 N ATOM 341 CA ASP A 27 1.490 -13.921 -5.449 1.00 0.00 C ATOM 342 C ASP A 27 2.176 -14.615 -4.277 1.00 0.00 C ATOM 343 O ASP A 27 3.197 -15.280 -4.447 1.00 0.00 O ATOM 344 CB ASP A 27 2.525 -13.540 -6.509 1.00 0.00 C ATOM 345 CG ASP A 27 2.959 -14.726 -7.347 1.00 0.00 C ATOM 346 OD1 ASP A 27 3.869 -15.460 -6.909 1.00 0.00 O ATOM 347 OD2 ASP A 27 2.390 -14.920 -8.442 1.00 0.00 O ATOM 0 H ASP A 27 -0.131 -12.591 -5.466 1.00 0.00 H new ATOM 0 HA ASP A 27 0.771 -14.613 -5.887 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.108 -12.772 -7.160 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.397 -13.105 -6.021 1.00 0.00 H new ATOM 352 N GLY A 28 1.608 -14.454 -3.086 1.00 0.00 N ATOM 353 CA GLY A 28 2.179 -15.070 -1.902 1.00 0.00 C ATOM 354 C GLY A 28 3.692 -14.982 -1.876 1.00 0.00 C ATOM 355 O GLY A 28 4.383 -15.981 -2.074 1.00 0.00 O ATOM 0 H GLY A 28 0.763 -13.908 -2.920 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.775 -14.586 -1.013 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.878 -16.117 -1.860 1.00 0.00 H new ATOM 359 N VAL A 29 4.210 -13.782 -1.632 1.00 0.00 N ATOM 360 CA VAL A 29 5.651 -13.567 -1.581 1.00 0.00 C ATOM 361 C VAL A 29 6.014 -12.526 -0.528 1.00 0.00 C ATOM 362 O VAL A 29 5.242 -11.607 -0.255 1.00 0.00 O ATOM 363 CB VAL A 29 6.199 -13.112 -2.947 1.00 0.00 C ATOM 364 CG1 VAL A 29 7.672 -12.750 -2.837 1.00 0.00 C ATOM 365 CG2 VAL A 29 5.984 -14.194 -3.994 1.00 0.00 C ATOM 0 H VAL A 29 3.653 -12.944 -1.467 1.00 0.00 H new ATOM 0 HA VAL A 29 6.105 -14.522 -1.315 1.00 0.00 H new ATOM 0 HB VAL A 29 5.653 -12.222 -3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.042 -12.431 -3.811 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.795 -11.939 -2.119 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.236 -13.620 -2.502 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.377 -13.856 -4.953 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.503 -15.103 -3.690 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.918 -14.400 -4.091 1.00 0.00 H new ATOM 375 N LYS A 30 7.196 -12.677 0.062 1.00 0.00 N ATOM 376 CA LYS A 30 7.664 -11.749 1.085 1.00 0.00 C ATOM 377 C LYS A 30 7.998 -10.391 0.476 1.00 0.00 C ATOM 378 O LYS A 30 7.346 -9.389 0.773 1.00 0.00 O ATOM 379 CB LYS A 30 8.896 -12.319 1.793 1.00 0.00 C ATOM 380 CG LYS A 30 8.642 -13.651 2.477 1.00 0.00 C ATOM 381 CD LYS A 30 9.932 -14.428 2.680 1.00 0.00 C ATOM 382 CE LYS A 30 9.661 -15.830 3.205 1.00 0.00 C ATOM 383 NZ LYS A 30 8.892 -16.649 2.228 1.00 0.00 N ATOM 0 H LYS A 30 7.847 -13.433 -0.151 1.00 0.00 H new ATOM 0 HA LYS A 30 6.863 -11.614 1.812 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.699 -12.441 1.066 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.244 -11.600 2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.163 -13.481 3.441 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.950 -14.243 1.878 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.473 -14.490 1.736 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.574 -13.894 3.381 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.607 -16.324 3.428 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.107 -15.766 4.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.986 -17.656 2.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.889 -16.378 2.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.263 -16.486 1.270 1.00 0.00 H new ATOM 397 N LYS A 31 9.015 -10.364 -0.378 1.00 0.00 N ATOM 398 CA LYS A 31 9.434 -9.130 -1.031 1.00 0.00 C ATOM 399 C LYS A 31 8.944 -9.085 -2.475 1.00 0.00 C ATOM 400 O LYS A 31 8.926 -10.103 -3.167 1.00 0.00 O ATOM 401 CB LYS A 31 10.958 -9.001 -0.995 1.00 0.00 C ATOM 402 CG LYS A 31 11.531 -8.948 0.411 1.00 0.00 C ATOM 403 CD LYS A 31 12.961 -9.461 0.450 1.00 0.00 C ATOM 404 CE LYS A 31 13.958 -8.357 0.134 1.00 0.00 C ATOM 405 NZ LYS A 31 13.963 -8.013 -1.315 1.00 0.00 N ATOM 0 H LYS A 31 9.565 -11.184 -0.634 1.00 0.00 H new ATOM 0 HA LYS A 31 8.992 -8.294 -0.489 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.398 -9.845 -1.526 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.251 -8.099 -1.532 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.501 -7.922 0.779 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.911 -9.545 1.080 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.174 -9.874 1.436 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.077 -10.274 -0.267 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.714 -7.469 0.717 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.957 -8.672 0.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.906 -7.668 -1.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.730 -8.859 -1.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.257 -7.272 -1.498 1.00 0.00 H new ATOM 419 N HIS A 32 8.547 -7.898 -2.924 1.00 0.00 N ATOM 420 CA HIS A 32 8.059 -7.721 -4.287 1.00 0.00 C ATOM 421 C HIS A 32 8.692 -6.493 -4.936 1.00 0.00 C ATOM 422 O HIS A 32 8.439 -5.362 -4.522 1.00 0.00 O ATOM 423 CB HIS A 32 6.536 -7.586 -4.292 1.00 0.00 C ATOM 424 CG HIS A 32 5.853 -8.477 -3.301 1.00 0.00 C ATOM 425 ND1 HIS A 32 5.181 -9.627 -3.660 1.00 0.00 N ATOM 426 CD2 HIS A 32 5.741 -8.383 -1.955 1.00 0.00 C ATOM 427 CE1 HIS A 32 4.685 -10.200 -2.578 1.00 0.00 C ATOM 428 NE2 HIS A 32 5.011 -9.465 -1.530 1.00 0.00 N ATOM 0 H HIS A 32 8.554 -7.045 -2.364 1.00 0.00 H new ATOM 0 HA HIS A 32 8.341 -8.601 -4.865 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.271 -6.550 -4.080 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.163 -7.813 -5.290 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.150 -7.602 -1.331 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.110 -11.114 -2.554 1.00 0.00 H new ATOM 0 HE2 HIS A 32 4.761 -9.668 -0.562 1.00 0.00 H new ATOM 437 N GLN A 33 9.516 -6.726 -5.953 1.00 0.00 N ATOM 438 CA GLN A 33 10.185 -5.639 -6.657 1.00 0.00 C ATOM 439 C GLN A 33 9.220 -4.921 -7.594 1.00 0.00 C ATOM 440 O GLN A 33 8.643 -5.531 -8.494 1.00 0.00 O ATOM 441 CB GLN A 33 11.380 -6.175 -7.448 1.00 0.00 C ATOM 442 CG GLN A 33 12.584 -6.506 -6.582 1.00 0.00 C ATOM 443 CD GLN A 33 12.260 -7.507 -5.491 1.00 0.00 C ATOM 444 OE1 GLN A 33 11.475 -8.434 -5.695 1.00 0.00 O ATOM 445 NE2 GLN A 33 12.865 -7.326 -4.322 1.00 0.00 N ATOM 0 H GLN A 33 9.736 -7.657 -6.307 1.00 0.00 H new ATOM 0 HA GLN A 33 10.541 -4.924 -5.915 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.075 -7.071 -7.989 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.672 -5.436 -8.194 1.00 0.00 H new ATOM 0 HG2 GLN A 33 13.380 -6.904 -7.211 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.964 -5.590 -6.129 1.00 0.00 H new ATOM 0 HE21 GLN A 33 13.508 -6.544 -4.196 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.686 -7.969 -3.550 1.00 0.00 H new ATOM 454 N VAL A 34 9.048 -3.621 -7.376 1.00 0.00 N ATOM 455 CA VAL A 34 8.153 -2.819 -8.201 1.00 0.00 C ATOM 456 C VAL A 34 8.932 -1.804 -9.031 1.00 0.00 C ATOM 457 O VAL A 34 9.925 -1.242 -8.570 1.00 0.00 O ATOM 458 CB VAL A 34 7.114 -2.074 -7.342 1.00 0.00 C ATOM 459 CG1 VAL A 34 6.157 -1.286 -8.225 1.00 0.00 C ATOM 460 CG2 VAL A 34 6.354 -3.052 -6.459 1.00 0.00 C ATOM 0 H VAL A 34 9.517 -3.101 -6.635 1.00 0.00 H new ATOM 0 HA VAL A 34 7.635 -3.508 -8.868 1.00 0.00 H new ATOM 0 HB VAL A 34 7.639 -1.369 -6.697 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.430 -0.766 -7.601 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.718 -0.558 -8.811 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.636 -1.968 -8.897 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.624 -2.509 -5.859 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.839 -3.782 -7.084 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.054 -3.567 -5.801 1.00 0.00 H new ATOM 470 N ALA A 35 8.474 -1.574 -10.257 1.00 0.00 N ATOM 471 CA ALA A 35 9.126 -0.625 -11.151 1.00 0.00 C ATOM 472 C ALA A 35 8.130 0.397 -11.687 1.00 0.00 C ATOM 473 O ALA A 35 7.456 0.155 -12.690 1.00 0.00 O ATOM 474 CB ALA A 35 9.802 -1.360 -12.299 1.00 0.00 C ATOM 0 H ALA A 35 7.654 -2.032 -10.654 1.00 0.00 H new ATOM 0 HA ALA A 35 9.885 -0.089 -10.581 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.285 -0.639 -12.959 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.550 -2.046 -11.902 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.056 -1.923 -12.860 1.00 0.00 H new ATOM 480 N LEU A 36 8.040 1.539 -11.015 1.00 0.00 N ATOM 481 CA LEU A 36 7.125 2.599 -11.424 1.00 0.00 C ATOM 482 C LEU A 36 7.572 3.226 -12.741 1.00 0.00 C ATOM 483 O LEU A 36 8.763 3.398 -13.002 1.00 0.00 O ATOM 484 CB LEU A 36 7.039 3.673 -10.338 1.00 0.00 C ATOM 485 CG LEU A 36 6.681 3.181 -8.935 1.00 0.00 C ATOM 486 CD1 LEU A 36 6.869 4.294 -7.915 1.00 0.00 C ATOM 487 CD2 LEU A 36 5.252 2.660 -8.901 1.00 0.00 C ATOM 0 H LEU A 36 8.590 1.755 -10.184 1.00 0.00 H new ATOM 0 HA LEU A 36 6.139 2.158 -11.569 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.999 4.188 -10.287 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.297 4.411 -10.643 1.00 0.00 H new ATOM 0 HG LEU A 36 7.351 2.362 -8.676 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.610 3.926 -6.923 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.909 4.621 -7.920 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.223 5.134 -8.170 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.015 2.314 -7.895 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.566 3.460 -9.181 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.150 1.832 -9.603 1.00 0.00 H new ATOM 499 N PRO A 37 6.596 3.579 -13.590 1.00 0.00 N ATOM 500 CA PRO A 37 6.864 4.195 -14.893 1.00 0.00 C ATOM 501 C PRO A 37 7.398 5.617 -14.762 1.00 0.00 C ATOM 502 O PRO A 37 7.563 6.130 -13.656 1.00 0.00 O ATOM 503 CB PRO A 37 5.492 4.200 -15.572 1.00 0.00 C ATOM 504 CG PRO A 37 4.513 4.196 -14.449 1.00 0.00 C ATOM 505 CD PRO A 37 5.155 3.404 -13.343 1.00 0.00 C ATOM 0 HA PRO A 37 7.629 3.654 -15.450 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.366 5.079 -16.204 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.364 3.327 -16.212 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.289 5.212 -14.123 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.569 3.745 -14.755 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.867 3.779 -12.361 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.866 2.354 -13.380 1.00 0.00 H new ATOM 513 N GLY A 38 7.668 6.250 -15.900 1.00 0.00 N ATOM 514 CA GLY A 38 8.181 7.608 -15.890 1.00 0.00 C ATOM 515 C GLY A 38 7.174 8.612 -16.414 1.00 0.00 C ATOM 516 O GLY A 38 6.545 8.387 -17.448 1.00 0.00 O ATOM 0 H GLY A 38 7.541 5.847 -16.828 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.464 7.879 -14.873 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.086 7.656 -16.496 1.00 0.00 H new ATOM 520 N GLN A 39 7.019 9.722 -15.699 1.00 0.00 N ATOM 521 CA GLN A 39 6.079 10.762 -16.098 1.00 0.00 C ATOM 522 C GLN A 39 6.507 12.121 -15.554 1.00 0.00 C ATOM 523 O GLN A 39 7.369 12.205 -14.679 1.00 0.00 O ATOM 524 CB GLN A 39 4.671 10.423 -15.606 1.00 0.00 C ATOM 525 CG GLN A 39 4.640 9.848 -14.199 1.00 0.00 C ATOM 526 CD GLN A 39 3.343 10.148 -13.474 1.00 0.00 C ATOM 527 OE1 GLN A 39 2.398 10.676 -14.061 1.00 0.00 O ATOM 528 NE2 GLN A 39 3.290 9.811 -12.191 1.00 0.00 N ATOM 0 H GLN A 39 7.532 9.924 -14.841 1.00 0.00 H new ATOM 0 HA GLN A 39 6.073 10.812 -17.187 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.058 11.324 -15.635 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.218 9.707 -16.292 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.783 8.769 -14.249 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.474 10.254 -13.626 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.097 9.375 -11.744 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.442 9.988 -11.652 1.00 0.00 H new ATOM 537 N GLU A 40 5.899 13.181 -16.077 1.00 0.00 N ATOM 538 CA GLU A 40 6.220 14.536 -15.643 1.00 0.00 C ATOM 539 C GLU A 40 6.103 14.664 -14.127 1.00 0.00 C ATOM 540 O GLU A 40 6.896 15.356 -13.490 1.00 0.00 O ATOM 541 CB GLU A 40 5.293 15.546 -16.324 1.00 0.00 C ATOM 542 CG GLU A 40 5.588 15.743 -17.801 1.00 0.00 C ATOM 543 CD GLU A 40 4.922 14.698 -18.674 1.00 0.00 C ATOM 544 OE1 GLU A 40 3.701 14.815 -18.912 1.00 0.00 O ATOM 545 OE2 GLU A 40 5.620 13.763 -19.119 1.00 0.00 O ATOM 0 H GLU A 40 5.182 13.128 -16.801 1.00 0.00 H new ATOM 0 HA GLU A 40 7.250 14.748 -15.930 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.261 15.214 -16.209 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.378 16.506 -15.814 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.251 16.734 -18.106 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.666 15.710 -17.960 1.00 0.00 H new ATOM 552 N GLU A 41 5.109 13.991 -13.557 1.00 0.00 N ATOM 553 CA GLU A 41 4.888 14.030 -12.116 1.00 0.00 C ATOM 554 C GLU A 41 5.414 12.762 -11.450 1.00 0.00 C ATOM 555 O GLU A 41 5.214 11.648 -11.933 1.00 0.00 O ATOM 556 CB GLU A 41 3.398 14.198 -11.811 1.00 0.00 C ATOM 557 CG GLU A 41 2.905 15.629 -11.952 1.00 0.00 C ATOM 558 CD GLU A 41 1.417 15.762 -11.694 1.00 0.00 C ATOM 559 OE1 GLU A 41 0.978 15.428 -10.573 1.00 0.00 O ATOM 560 OE2 GLU A 41 0.692 16.199 -12.611 1.00 0.00 O ATOM 0 H GLU A 41 4.444 13.412 -14.070 1.00 0.00 H new ATOM 0 HA GLU A 41 5.433 14.884 -11.714 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.824 13.557 -12.481 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.203 13.854 -10.795 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.449 16.267 -11.255 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.129 15.989 -12.956 1.00 0.00 H new ATOM 567 N PRO A 42 6.106 12.935 -10.314 1.00 0.00 N ATOM 568 CA PRO A 42 6.676 11.817 -9.556 1.00 0.00 C ATOM 569 C PRO A 42 5.604 10.962 -8.889 1.00 0.00 C ATOM 570 O PRO A 42 4.513 11.444 -8.585 1.00 0.00 O ATOM 571 CB PRO A 42 7.542 12.509 -8.500 1.00 0.00 C ATOM 572 CG PRO A 42 6.928 13.856 -8.331 1.00 0.00 C ATOM 573 CD PRO A 42 6.383 14.235 -9.680 1.00 0.00 C ATOM 0 HA PRO A 42 7.229 11.130 -10.197 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.542 11.953 -7.562 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.579 12.585 -8.826 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.136 13.833 -7.583 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.667 14.582 -7.991 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.481 14.840 -9.593 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.103 14.817 -10.255 1.00 0.00 H new ATOM 581 N TRP A 43 5.922 9.692 -8.665 1.00 0.00 N ATOM 582 CA TRP A 43 4.985 8.770 -8.033 1.00 0.00 C ATOM 583 C TRP A 43 4.829 9.084 -6.550 1.00 0.00 C ATOM 584 O TRP A 43 5.816 9.275 -5.839 1.00 0.00 O ATOM 585 CB TRP A 43 5.457 7.327 -8.215 1.00 0.00 C ATOM 586 CG TRP A 43 5.032 6.722 -9.518 1.00 0.00 C ATOM 587 CD1 TRP A 43 5.678 6.820 -10.717 1.00 0.00 C ATOM 588 CD2 TRP A 43 3.864 5.927 -9.754 1.00 0.00 C ATOM 589 NE1 TRP A 43 4.982 6.134 -11.684 1.00 0.00 N ATOM 590 CE2 TRP A 43 3.867 5.577 -11.118 1.00 0.00 C ATOM 591 CE3 TRP A 43 2.818 5.475 -8.944 1.00 0.00 C ATOM 592 CZ2 TRP A 43 2.863 4.798 -11.688 1.00 0.00 C ATOM 593 CZ3 TRP A 43 1.823 4.703 -9.512 1.00 0.00 C ATOM 594 CH2 TRP A 43 1.851 4.370 -10.873 1.00 0.00 C ATOM 0 H TRP A 43 6.821 9.277 -8.911 1.00 0.00 H new ATOM 0 HA TRP A 43 4.014 8.891 -8.514 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.544 7.297 -8.146 1.00 0.00 H new ATOM 0 HB3 TRP A 43 5.069 6.720 -7.397 1.00 0.00 H new ATOM 0 HD1 TRP A 43 6.600 7.357 -10.882 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.253 6.053 -12.664 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.788 5.725 -7.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.883 4.541 -12.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.009 4.350 -8.896 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.058 3.764 -11.286 1.00 0.00 H new ATOM 605 N ASP A 44 3.584 9.136 -6.088 1.00 0.00 N ATOM 606 CA ASP A 44 3.300 9.425 -4.687 1.00 0.00 C ATOM 607 C ASP A 44 2.418 8.341 -4.076 1.00 0.00 C ATOM 608 O ASP A 44 1.678 7.657 -4.784 1.00 0.00 O ATOM 609 CB ASP A 44 2.619 10.788 -4.554 1.00 0.00 C ATOM 610 CG ASP A 44 3.038 11.754 -5.645 1.00 0.00 C ATOM 611 OD1 ASP A 44 4.198 11.666 -6.101 1.00 0.00 O ATOM 612 OD2 ASP A 44 2.208 12.598 -6.043 1.00 0.00 O ATOM 0 H ASP A 44 2.756 8.982 -6.663 1.00 0.00 H new ATOM 0 HA ASP A 44 4.246 9.445 -4.147 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.538 10.655 -4.586 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.859 11.217 -3.581 1.00 0.00 H new ATOM 617 N ILE A 45 2.504 8.188 -2.759 1.00 0.00 N ATOM 618 CA ILE A 45 1.714 7.187 -2.053 1.00 0.00 C ATOM 619 C ILE A 45 0.349 7.001 -2.709 1.00 0.00 C ATOM 620 O ILE A 45 0.027 5.919 -3.198 1.00 0.00 O ATOM 621 CB ILE A 45 1.513 7.568 -0.575 1.00 0.00 C ATOM 622 CG1 ILE A 45 2.865 7.692 0.131 1.00 0.00 C ATOM 623 CG2 ILE A 45 0.637 6.538 0.123 1.00 0.00 C ATOM 624 CD1 ILE A 45 3.666 6.408 0.131 1.00 0.00 C ATOM 0 H ILE A 45 3.113 8.745 -2.159 1.00 0.00 H new ATOM 0 HA ILE A 45 2.271 6.251 -2.106 1.00 0.00 H new ATOM 0 HB ILE A 45 1.011 8.534 -0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.448 8.475 -0.353 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.700 8.008 1.161 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.504 6.821 1.167 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.335 6.495 -0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.114 5.559 0.070 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.612 6.569 0.648 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.102 5.627 0.641 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.862 6.101 -0.896 1.00 0.00 H new ATOM 636 N ARG A 46 -0.447 8.065 -2.716 1.00 0.00 N ATOM 637 CA ARG A 46 -1.777 8.020 -3.312 1.00 0.00 C ATOM 638 C ARG A 46 -1.799 7.091 -4.522 1.00 0.00 C ATOM 639 O ARG A 46 -2.638 6.197 -4.615 1.00 0.00 O ATOM 640 CB ARG A 46 -2.222 9.424 -3.725 1.00 0.00 C ATOM 641 CG ARG A 46 -3.708 9.528 -4.026 1.00 0.00 C ATOM 642 CD ARG A 46 -4.066 10.889 -4.601 1.00 0.00 C ATOM 643 NE ARG A 46 -3.758 11.974 -3.673 1.00 0.00 N ATOM 644 CZ ARG A 46 -4.287 13.189 -3.762 1.00 0.00 C ATOM 645 NH1 ARG A 46 -5.146 13.473 -4.732 1.00 0.00 N ATOM 646 NH2 ARG A 46 -3.957 14.123 -2.879 1.00 0.00 N ATOM 0 H ARG A 46 -0.194 8.969 -2.316 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.470 7.632 -2.565 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.971 10.124 -2.928 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.659 9.730 -4.607 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.993 8.747 -4.731 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.278 9.356 -3.113 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.522 11.043 -5.533 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.128 10.911 -4.845 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.101 11.789 -2.915 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.402 12.757 -5.412 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.551 14.407 -4.798 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.297 13.908 -2.132 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.363 15.056 -2.948 1.00 0.00 H new ATOM 660 N ASN A 47 -0.870 7.311 -5.447 1.00 0.00 N ATOM 661 CA ASN A 47 -0.784 6.495 -6.653 1.00 0.00 C ATOM 662 C ASN A 47 -0.167 5.133 -6.345 1.00 0.00 C ATOM 663 O ASN A 47 -0.733 4.093 -6.682 1.00 0.00 O ATOM 664 CB ASN A 47 0.044 7.212 -7.721 1.00 0.00 C ATOM 665 CG ASN A 47 -0.697 8.382 -8.339 1.00 0.00 C ATOM 666 OD1 ASN A 47 -1.217 8.284 -9.450 1.00 0.00 O ATOM 667 ND2 ASN A 47 -0.748 9.496 -7.618 1.00 0.00 N ATOM 0 H ASN A 47 -0.167 8.047 -5.385 1.00 0.00 H new ATOM 0 HA ASN A 47 -1.795 6.340 -7.030 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.974 7.568 -7.277 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.315 6.503 -8.503 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.233 10.317 -7.981 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.302 9.531 -6.701 1.00 0.00 H new ATOM 674 N LEU A 48 0.995 5.148 -5.701 1.00 0.00 N ATOM 675 CA LEU A 48 1.689 3.915 -5.347 1.00 0.00 C ATOM 676 C LEU A 48 0.695 2.815 -4.988 1.00 0.00 C ATOM 677 O LEU A 48 0.851 1.664 -5.398 1.00 0.00 O ATOM 678 CB LEU A 48 2.640 4.161 -4.174 1.00 0.00 C ATOM 679 CG LEU A 48 3.415 2.943 -3.671 1.00 0.00 C ATOM 680 CD1 LEU A 48 4.432 2.492 -4.708 1.00 0.00 C ATOM 681 CD2 LEU A 48 4.100 3.255 -2.349 1.00 0.00 C ATOM 0 H LEU A 48 1.476 6.000 -5.413 1.00 0.00 H new ATOM 0 HA LEU A 48 2.266 3.590 -6.213 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.358 4.927 -4.469 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.063 4.568 -3.344 1.00 0.00 H new ATOM 0 HG LEU A 48 2.709 2.129 -3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.974 1.624 -4.333 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.917 2.227 -5.631 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.135 3.302 -4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.647 2.377 -2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.794 4.084 -2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.350 3.528 -1.606 1.00 0.00 H new ATOM 693 N LEU A 49 -0.328 3.176 -4.221 1.00 0.00 N ATOM 694 CA LEU A 49 -1.350 2.221 -3.808 1.00 0.00 C ATOM 695 C LEU A 49 -2.115 1.687 -5.015 1.00 0.00 C ATOM 696 O LEU A 49 -2.199 0.476 -5.225 1.00 0.00 O ATOM 697 CB LEU A 49 -2.321 2.875 -2.824 1.00 0.00 C ATOM 698 CG LEU A 49 -1.964 2.743 -1.342 1.00 0.00 C ATOM 699 CD1 LEU A 49 -1.536 1.320 -1.021 1.00 0.00 C ATOM 700 CD2 LEU A 49 -0.868 3.729 -0.968 1.00 0.00 C ATOM 0 H LEU A 49 -0.472 4.124 -3.872 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.853 1.385 -3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.394 3.935 -3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.310 2.444 -2.979 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.851 2.975 -0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.286 1.245 0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.352 0.634 -1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.663 1.059 -1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.627 3.621 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.021 3.528 -1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.212 4.745 -1.160 1.00 0.00 H new ATOM 712 N VAL A 50 -2.671 2.598 -5.807 1.00 0.00 N ATOM 713 CA VAL A 50 -3.427 2.219 -6.995 1.00 0.00 C ATOM 714 C VAL A 50 -2.716 1.115 -7.770 1.00 0.00 C ATOM 715 O VAL A 50 -3.339 0.144 -8.199 1.00 0.00 O ATOM 716 CB VAL A 50 -3.647 3.425 -7.928 1.00 0.00 C ATOM 717 CG1 VAL A 50 -4.379 2.996 -9.191 1.00 0.00 C ATOM 718 CG2 VAL A 50 -4.412 4.524 -7.206 1.00 0.00 C ATOM 0 H VAL A 50 -2.612 3.604 -5.648 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.394 1.853 -6.651 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.674 3.821 -8.217 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.526 3.861 -9.838 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.789 2.245 -9.717 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.348 2.574 -8.924 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.559 5.368 -7.880 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.382 4.142 -6.886 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.845 4.850 -6.334 1.00 0.00 H new ATOM 728 N TRP A 51 -1.409 1.270 -7.945 1.00 0.00 N ATOM 729 CA TRP A 51 -0.612 0.285 -8.668 1.00 0.00 C ATOM 730 C TRP A 51 -0.547 -1.031 -7.900 1.00 0.00 C ATOM 731 O TRP A 51 -1.005 -2.066 -8.385 1.00 0.00 O ATOM 732 CB TRP A 51 0.800 0.819 -8.910 1.00 0.00 C ATOM 733 CG TRP A 51 1.587 -0.002 -9.886 1.00 0.00 C ATOM 734 CD1 TRP A 51 1.735 0.232 -11.223 1.00 0.00 C ATOM 735 CD2 TRP A 51 2.331 -1.192 -9.600 1.00 0.00 C ATOM 736 NE1 TRP A 51 2.527 -0.739 -11.786 1.00 0.00 N ATOM 737 CE2 TRP A 51 2.906 -1.624 -10.811 1.00 0.00 C ATOM 738 CE3 TRP A 51 2.570 -1.932 -8.439 1.00 0.00 C ATOM 739 CZ2 TRP A 51 3.702 -2.764 -10.892 1.00 0.00 C ATOM 740 CZ3 TRP A 51 3.360 -3.063 -8.521 1.00 0.00 C ATOM 741 CH2 TRP A 51 3.919 -3.470 -9.740 1.00 0.00 C ATOM 0 H TRP A 51 -0.878 2.068 -7.596 1.00 0.00 H new ATOM 0 HA TRP A 51 -1.092 0.100 -9.629 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.735 1.843 -9.277 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.335 0.854 -7.961 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.294 1.059 -11.759 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.790 -0.792 -12.770 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.145 -1.626 -7.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.133 -3.080 -11.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.550 -3.643 -7.630 1.00 0.00 H new ATOM 0 HH2 TRP A 51 4.533 -4.358 -9.771 1.00 0.00 H new ATOM 752 N ILE A 52 0.026 -0.984 -6.702 1.00 0.00 N ATOM 753 CA ILE A 52 0.150 -2.173 -5.868 1.00 0.00 C ATOM 754 C ILE A 52 -1.215 -2.796 -5.593 1.00 0.00 C ATOM 755 O ILE A 52 -1.311 -3.961 -5.206 1.00 0.00 O ATOM 756 CB ILE A 52 0.835 -1.852 -4.527 1.00 0.00 C ATOM 757 CG1 ILE A 52 2.204 -1.213 -4.769 1.00 0.00 C ATOM 758 CG2 ILE A 52 0.973 -3.113 -3.687 1.00 0.00 C ATOM 759 CD1 ILE A 52 2.896 -0.767 -3.500 1.00 0.00 C ATOM 0 H ILE A 52 0.412 -0.136 -6.287 1.00 0.00 H new ATOM 0 HA ILE A 52 0.766 -2.883 -6.420 1.00 0.00 H new ATOM 0 HB ILE A 52 0.215 -1.141 -3.980 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.842 -1.927 -5.289 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.083 -0.354 -5.429 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.459 -2.869 -2.742 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.015 -3.529 -3.490 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.574 -3.845 -4.226 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.860 -0.324 -3.748 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.278 -0.029 -2.989 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.049 -1.627 -2.848 1.00 0.00 H new ATOM 771 N LYS A 53 -2.268 -2.013 -5.797 1.00 0.00 N ATOM 772 CA LYS A 53 -3.629 -2.487 -5.574 1.00 0.00 C ATOM 773 C LYS A 53 -4.139 -3.266 -6.782 1.00 0.00 C ATOM 774 O LYS A 53 -5.115 -4.010 -6.687 1.00 0.00 O ATOM 775 CB LYS A 53 -4.561 -1.307 -5.284 1.00 0.00 C ATOM 776 CG LYS A 53 -4.668 -0.965 -3.809 1.00 0.00 C ATOM 777 CD LYS A 53 -5.600 0.212 -3.576 1.00 0.00 C ATOM 778 CE LYS A 53 -7.059 -0.201 -3.694 1.00 0.00 C ATOM 779 NZ LYS A 53 -7.915 0.919 -4.174 1.00 0.00 N ATOM 0 H LYS A 53 -2.205 -1.046 -6.117 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.618 -3.154 -4.712 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.204 -0.431 -5.826 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.555 -1.537 -5.668 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.032 -1.833 -3.259 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.679 -0.730 -3.416 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.418 0.631 -2.586 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.383 0.998 -4.300 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.144 -1.043 -4.381 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.419 -0.543 -2.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.916 0.675 -4.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.690 1.782 -3.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.737 1.083 -5.185 1.00 0.00 H new ATOM 793 N LYS A 54 -3.470 -3.092 -7.917 1.00 0.00 N ATOM 794 CA LYS A 54 -3.853 -3.780 -9.144 1.00 0.00 C ATOM 795 C LYS A 54 -2.690 -4.601 -9.693 1.00 0.00 C ATOM 796 O LYS A 54 -2.734 -5.830 -9.699 1.00 0.00 O ATOM 797 CB LYS A 54 -4.320 -2.771 -10.196 1.00 0.00 C ATOM 798 CG LYS A 54 -5.636 -2.096 -9.849 1.00 0.00 C ATOM 799 CD LYS A 54 -6.402 -1.694 -11.097 1.00 0.00 C ATOM 800 CE LYS A 54 -7.425 -0.608 -10.798 1.00 0.00 C ATOM 801 NZ LYS A 54 -8.669 -1.168 -10.200 1.00 0.00 N ATOM 0 H LYS A 54 -2.660 -2.480 -8.012 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.675 -4.457 -8.909 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.552 -2.008 -10.322 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.424 -3.280 -11.154 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.245 -2.772 -9.249 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.444 -1.213 -9.239 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.704 -1.339 -11.855 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.907 -2.566 -11.512 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.991 0.122 -10.115 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.671 -0.077 -11.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.341 -0.397 -10.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.098 -1.846 -10.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.438 -1.652 -9.309 1.00 0.00 H new ATOM 815 N ASN A 55 -1.650 -3.912 -10.152 1.00 0.00 N ATOM 816 CA ASN A 55 -0.475 -4.577 -10.701 1.00 0.00 C ATOM 817 C ASN A 55 -0.021 -5.717 -9.795 1.00 0.00 C ATOM 818 O ASN A 55 -0.078 -6.888 -10.175 1.00 0.00 O ATOM 819 CB ASN A 55 0.665 -3.574 -10.887 1.00 0.00 C ATOM 820 CG ASN A 55 0.630 -2.903 -12.246 1.00 0.00 C ATOM 821 OD1 ASN A 55 -0.159 -1.841 -12.362 1.00 0.00 O flip ATOM 822 ND2 ASN A 55 1.304 -3.335 -13.182 1.00 0.00 N flip ATOM 0 H ASN A 55 -1.598 -2.893 -10.154 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.745 -4.994 -11.671 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.607 -2.814 -10.108 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.619 -4.086 -10.762 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.897 -4.154 -13.048 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.269 -2.873 -14.091 1.00 0.00 H new ATOM 829 N LEU A 56 0.428 -5.368 -8.594 1.00 0.00 N ATOM 830 CA LEU A 56 0.891 -6.362 -7.632 1.00 0.00 C ATOM 831 C LEU A 56 -0.279 -7.165 -7.073 1.00 0.00 C ATOM 832 O LEU A 56 -0.308 -8.393 -7.174 1.00 0.00 O ATOM 833 CB LEU A 56 1.648 -5.681 -6.490 1.00 0.00 C ATOM 834 CG LEU A 56 2.763 -6.502 -5.841 1.00 0.00 C ATOM 835 CD1 LEU A 56 4.026 -6.449 -6.686 1.00 0.00 C ATOM 836 CD2 LEU A 56 3.041 -6.002 -4.431 1.00 0.00 C ATOM 0 H LEU A 56 0.481 -4.405 -8.263 1.00 0.00 H new ATOM 0 HA LEU A 56 1.564 -7.046 -8.149 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.079 -4.754 -6.868 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.930 -5.406 -5.718 1.00 0.00 H new ATOM 0 HG LEU A 56 2.435 -7.540 -5.779 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.808 -7.039 -6.208 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.819 -6.855 -7.676 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.358 -5.415 -6.780 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.837 -6.598 -3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.348 -4.957 -4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.138 -6.093 -3.828 1.00 0.00 H new ATOM 848 N LEU A 57 -1.243 -6.465 -6.486 1.00 0.00 N ATOM 849 CA LEU A 57 -2.418 -7.113 -5.913 1.00 0.00 C ATOM 850 C LEU A 57 -3.348 -7.624 -7.009 1.00 0.00 C ATOM 851 O LEU A 57 -3.888 -6.844 -7.794 1.00 0.00 O ATOM 852 CB LEU A 57 -3.170 -6.138 -5.004 1.00 0.00 C ATOM 853 CG LEU A 57 -4.503 -6.636 -4.444 1.00 0.00 C ATOM 854 CD1 LEU A 57 -4.270 -7.637 -3.323 1.00 0.00 C ATOM 855 CD2 LEU A 57 -5.343 -5.467 -3.951 1.00 0.00 C ATOM 0 H LEU A 57 -1.235 -5.449 -6.394 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.081 -7.965 -5.323 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.521 -5.878 -4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.353 -5.220 -5.562 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.047 -7.138 -5.244 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.230 -7.980 -2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.707 -8.488 -3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.706 -7.161 -2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.288 -5.839 -3.556 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.804 -4.938 -3.165 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.539 -4.785 -4.779 1.00 0.00 H new ATOM 867 N LYS A 58 -3.531 -8.939 -7.056 1.00 0.00 N ATOM 868 CA LYS A 58 -4.398 -9.556 -8.053 1.00 0.00 C ATOM 869 C LYS A 58 -5.757 -9.903 -7.453 1.00 0.00 C ATOM 870 O LYS A 58 -6.745 -10.044 -8.173 1.00 0.00 O ATOM 871 CB LYS A 58 -3.742 -10.817 -8.619 1.00 0.00 C ATOM 872 CG LYS A 58 -2.693 -10.533 -9.680 1.00 0.00 C ATOM 873 CD LYS A 58 -3.318 -9.979 -10.949 1.00 0.00 C ATOM 874 CE LYS A 58 -2.398 -10.155 -12.147 1.00 0.00 C ATOM 875 NZ LYS A 58 -1.408 -9.048 -12.254 1.00 0.00 N ATOM 0 H LYS A 58 -3.090 -9.599 -6.415 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.549 -8.839 -8.860 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.280 -11.374 -7.803 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.514 -11.458 -9.045 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.965 -9.821 -9.291 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.151 -11.450 -9.911 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.265 -10.484 -11.139 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.542 -8.921 -10.813 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.872 -11.106 -12.064 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.994 -10.199 -13.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.800 -9.205 -13.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.909 -8.143 -12.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.822 -9.022 -11.395 1.00 0.00 H new ATOM 889 N GLU A 59 -5.798 -10.036 -6.131 1.00 0.00 N ATOM 890 CA GLU A 59 -7.037 -10.366 -5.436 1.00 0.00 C ATOM 891 C GLU A 59 -7.901 -9.123 -5.245 1.00 0.00 C ATOM 892 O GLU A 59 -7.549 -8.034 -5.699 1.00 0.00 O ATOM 893 CB GLU A 59 -6.732 -11.002 -4.078 1.00 0.00 C ATOM 894 CG GLU A 59 -5.861 -12.243 -4.169 1.00 0.00 C ATOM 895 CD GLU A 59 -5.463 -12.778 -2.807 1.00 0.00 C ATOM 896 OE1 GLU A 59 -6.111 -12.401 -1.809 1.00 0.00 O ATOM 897 OE2 GLU A 59 -4.503 -13.574 -2.740 1.00 0.00 O ATOM 0 H GLU A 59 -4.989 -9.921 -5.521 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.588 -11.080 -6.048 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.236 -10.266 -3.445 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.671 -11.262 -3.589 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.396 -13.018 -4.717 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.962 -12.011 -4.741 1.00 0.00 H new ATOM 904 N ARG A 60 -9.034 -9.294 -4.571 1.00 0.00 N ATOM 905 CA ARG A 60 -9.949 -8.187 -4.321 1.00 0.00 C ATOM 906 C ARG A 60 -9.269 -7.093 -3.504 1.00 0.00 C ATOM 907 O ARG A 60 -8.729 -7.335 -2.425 1.00 0.00 O ATOM 908 CB ARG A 60 -11.197 -8.685 -3.589 1.00 0.00 C ATOM 909 CG ARG A 60 -12.307 -9.145 -4.520 1.00 0.00 C ATOM 910 CD ARG A 60 -12.924 -7.976 -5.271 1.00 0.00 C ATOM 911 NE ARG A 60 -14.307 -8.243 -5.657 1.00 0.00 N ATOM 912 CZ ARG A 60 -14.923 -7.624 -6.658 1.00 0.00 C ATOM 913 NH1 ARG A 60 -14.282 -6.708 -7.371 1.00 0.00 N ATOM 914 NH2 ARG A 60 -16.183 -7.921 -6.949 1.00 0.00 N ATOM 0 H ARG A 60 -9.340 -10.189 -4.188 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.243 -7.767 -5.283 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.918 -9.511 -2.934 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.577 -7.887 -2.952 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.910 -9.868 -5.233 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.078 -9.656 -3.944 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -12.888 -7.084 -4.646 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -12.333 -7.765 -6.162 1.00 0.00 H new ATOM 0 HE ARG A 60 -14.828 -8.943 -5.129 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.313 -6.477 -7.151 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.758 -6.235 -8.139 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -16.680 -8.625 -6.404 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -16.655 -7.445 -7.718 1.00 0.00 H new ATOM 928 N PRO A 61 -9.295 -5.859 -4.030 1.00 0.00 N ATOM 929 CA PRO A 61 -8.685 -4.703 -3.366 1.00 0.00 C ATOM 930 C PRO A 61 -9.444 -4.289 -2.109 1.00 0.00 C ATOM 931 O PRO A 61 -8.853 -4.126 -1.043 1.00 0.00 O ATOM 932 CB PRO A 61 -8.766 -3.602 -4.426 1.00 0.00 C ATOM 933 CG PRO A 61 -9.912 -3.994 -5.293 1.00 0.00 C ATOM 934 CD PRO A 61 -9.921 -5.497 -5.313 1.00 0.00 C ATOM 0 HA PRO A 61 -7.671 -4.915 -3.028 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.930 -2.625 -3.971 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.841 -3.535 -4.999 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.850 -3.603 -4.900 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.796 -3.591 -6.299 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.934 -5.892 -5.391 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.359 -5.891 -6.160 1.00 0.00 H new ATOM 942 N GLU A 62 -10.756 -4.123 -2.244 1.00 0.00 N ATOM 943 CA GLU A 62 -11.595 -3.728 -1.118 1.00 0.00 C ATOM 944 C GLU A 62 -11.205 -4.491 0.145 1.00 0.00 C ATOM 945 O GLU A 62 -11.374 -3.996 1.260 1.00 0.00 O ATOM 946 CB GLU A 62 -13.070 -3.975 -1.441 1.00 0.00 C ATOM 947 CG GLU A 62 -13.312 -5.232 -2.260 1.00 0.00 C ATOM 948 CD GLU A 62 -14.754 -5.697 -2.203 1.00 0.00 C ATOM 949 OE1 GLU A 62 -15.632 -4.965 -2.706 1.00 0.00 O ATOM 950 OE2 GLU A 62 -15.004 -6.791 -1.657 1.00 0.00 O ATOM 0 H GLU A 62 -11.261 -4.256 -3.121 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.443 -2.663 -0.940 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.630 -4.046 -0.509 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.463 -3.116 -1.985 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.036 -5.044 -3.297 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.663 -6.029 -1.897 1.00 0.00 H new ATOM 957 N LEU A 63 -10.682 -5.698 -0.039 1.00 0.00 N ATOM 958 CA LEU A 63 -10.268 -6.531 1.085 1.00 0.00 C ATOM 959 C LEU A 63 -8.991 -5.991 1.722 1.00 0.00 C ATOM 960 O LEU A 63 -8.958 -5.694 2.916 1.00 0.00 O ATOM 961 CB LEU A 63 -10.050 -7.973 0.624 1.00 0.00 C ATOM 962 CG LEU A 63 -11.273 -8.888 0.683 1.00 0.00 C ATOM 963 CD1 LEU A 63 -12.469 -8.226 0.017 1.00 0.00 C ATOM 964 CD2 LEU A 63 -10.970 -10.228 0.027 1.00 0.00 C ATOM 0 H LEU A 63 -10.535 -6.122 -0.955 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.062 -6.511 1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.685 -7.954 -0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.262 -8.413 1.235 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.518 -9.065 1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.330 -8.893 0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -12.701 -7.293 0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.235 -8.017 -1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.852 -10.866 0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.698 -10.069 -1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.143 -10.710 0.549 1.00 0.00 H new ATOM 976 N PHE A 64 -7.942 -5.863 0.916 1.00 0.00 N ATOM 977 CA PHE A 64 -6.663 -5.356 1.400 1.00 0.00 C ATOM 978 C PHE A 64 -6.730 -3.851 1.639 1.00 0.00 C ATOM 979 O PHE A 64 -6.651 -3.389 2.778 1.00 0.00 O ATOM 980 CB PHE A 64 -5.552 -5.677 0.398 1.00 0.00 C ATOM 981 CG PHE A 64 -4.178 -5.327 0.895 1.00 0.00 C ATOM 982 CD1 PHE A 64 -3.706 -5.847 2.090 1.00 0.00 C ATOM 983 CD2 PHE A 64 -3.359 -4.480 0.167 1.00 0.00 C ATOM 984 CE1 PHE A 64 -2.443 -5.527 2.549 1.00 0.00 C ATOM 985 CE2 PHE A 64 -2.094 -4.156 0.622 1.00 0.00 C ATOM 986 CZ PHE A 64 -1.635 -4.681 1.814 1.00 0.00 C ATOM 0 H PHE A 64 -7.952 -6.103 -0.075 1.00 0.00 H new ATOM 0 HA PHE A 64 -6.441 -5.846 2.348 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -5.584 -6.740 0.160 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.743 -5.137 -0.529 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.333 -6.510 2.669 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.712 -4.068 -0.767 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.087 -5.938 3.482 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.466 -3.493 0.046 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.647 -4.431 2.171 1.00 0.00 H new ATOM 996 N ILE A 65 -6.874 -3.092 0.558 1.00 0.00 N ATOM 997 CA ILE A 65 -6.951 -1.639 0.650 1.00 0.00 C ATOM 998 C ILE A 65 -8.204 -1.111 -0.040 1.00 0.00 C ATOM 999 O ILE A 65 -8.720 -1.730 -0.971 1.00 0.00 O ATOM 1000 CB ILE A 65 -5.714 -0.969 0.025 1.00 0.00 C ATOM 1001 CG1 ILE A 65 -4.455 -1.338 0.812 1.00 0.00 C ATOM 1002 CG2 ILE A 65 -5.894 0.541 -0.018 1.00 0.00 C ATOM 1003 CD1 ILE A 65 -3.170 -1.032 0.075 1.00 0.00 C ATOM 0 H ILE A 65 -6.940 -3.459 -0.391 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.991 -1.391 1.711 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.601 -1.331 -0.997 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.458 -0.799 1.760 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.484 -2.401 1.050 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.011 1.000 -0.463 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.771 0.786 -0.617 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.029 0.920 0.995 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.319 -1.319 0.693 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.145 -1.591 -0.860 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.119 0.036 -0.139 1.00 0.00 H new ATOM 1015 N GLN A 66 -8.688 0.038 0.423 1.00 0.00 N ATOM 1016 CA GLN A 66 -9.880 0.650 -0.151 1.00 0.00 C ATOM 1017 C GLN A 66 -9.590 2.072 -0.620 1.00 0.00 C ATOM 1018 O GLN A 66 -9.404 2.978 0.192 1.00 0.00 O ATOM 1019 CB GLN A 66 -11.017 0.659 0.872 1.00 0.00 C ATOM 1020 CG GLN A 66 -12.400 0.586 0.246 1.00 0.00 C ATOM 1021 CD GLN A 66 -12.813 1.887 -0.414 1.00 0.00 C ATOM 1022 OE1 GLN A 66 -13.146 2.861 0.263 1.00 0.00 O ATOM 1023 NE2 GLN A 66 -12.791 1.911 -1.741 1.00 0.00 N ATOM 0 H GLN A 66 -8.273 0.563 1.193 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.182 0.057 -1.014 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -10.890 -0.184 1.551 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.947 1.566 1.473 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -12.417 -0.214 -0.494 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -13.129 0.326 1.014 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -12.508 1.081 -2.261 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.057 2.760 -2.240 1.00 0.00 H new ATOM 1032 N GLY A 67 -9.554 2.261 -1.935 1.00 0.00 N ATOM 1033 CA GLY A 67 -9.285 3.575 -2.489 1.00 0.00 C ATOM 1034 C GLY A 67 -7.804 3.828 -2.690 1.00 0.00 C ATOM 1035 O GLY A 67 -6.982 2.935 -2.485 1.00 0.00 O ATOM 0 H GLY A 67 -9.706 1.527 -2.627 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.800 3.676 -3.444 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.694 4.336 -1.825 1.00 0.00 H new ATOM 1039 N ASP A 68 -7.463 5.047 -3.093 1.00 0.00 N ATOM 1040 CA ASP A 68 -6.071 5.415 -3.322 1.00 0.00 C ATOM 1041 C ASP A 68 -5.272 5.356 -2.024 1.00 0.00 C ATOM 1042 O ASP A 68 -4.043 5.298 -2.042 1.00 0.00 O ATOM 1043 CB ASP A 68 -5.985 6.818 -3.925 1.00 0.00 C ATOM 1044 CG ASP A 68 -6.993 7.773 -3.316 1.00 0.00 C ATOM 1045 OD1 ASP A 68 -8.186 7.683 -3.674 1.00 0.00 O ATOM 1046 OD2 ASP A 68 -6.589 8.609 -2.482 1.00 0.00 O ATOM 0 H ASP A 68 -8.132 5.797 -3.268 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.643 4.699 -4.024 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.980 7.213 -3.777 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.149 6.759 -5.001 1.00 0.00 H new ATOM 1051 N SER A 69 -5.980 5.372 -0.899 1.00 0.00 N ATOM 1052 CA SER A 69 -5.337 5.325 0.409 1.00 0.00 C ATOM 1053 C SER A 69 -5.484 3.942 1.038 1.00 0.00 C ATOM 1054 O SER A 69 -6.422 3.206 0.733 1.00 0.00 O ATOM 1055 CB SER A 69 -5.937 6.385 1.335 1.00 0.00 C ATOM 1056 OG SER A 69 -5.642 6.103 2.692 1.00 0.00 O ATOM 0 H SER A 69 -6.999 5.417 -0.867 1.00 0.00 H new ATOM 0 HA SER A 69 -4.276 5.532 0.272 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.545 7.367 1.071 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.017 6.425 1.195 1.00 0.00 H new ATOM 0 HG SER A 69 -6.035 6.796 3.263 1.00 0.00 H new ATOM 1062 N VAL A 70 -4.550 3.597 1.918 1.00 0.00 N ATOM 1063 CA VAL A 70 -4.575 2.304 2.592 1.00 0.00 C ATOM 1064 C VAL A 70 -5.668 2.258 3.653 1.00 0.00 C ATOM 1065 O VAL A 70 -5.935 3.253 4.327 1.00 0.00 O ATOM 1066 CB VAL A 70 -3.219 1.989 3.252 1.00 0.00 C ATOM 1067 CG1 VAL A 70 -2.125 1.884 2.201 1.00 0.00 C ATOM 1068 CG2 VAL A 70 -2.875 3.046 4.290 1.00 0.00 C ATOM 0 H VAL A 70 -3.766 4.195 2.181 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.782 1.553 1.829 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.295 1.027 3.758 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.175 1.661 2.686 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.370 1.087 1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.045 2.829 1.663 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.914 2.808 4.747 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.817 4.023 3.809 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.647 3.066 5.059 1.00 0.00 H new ATOM 1078 N ARG A 71 -6.297 1.096 3.797 1.00 0.00 N ATOM 1079 CA ARG A 71 -7.362 0.920 4.777 1.00 0.00 C ATOM 1080 C ARG A 71 -6.910 1.379 6.160 1.00 0.00 C ATOM 1081 O ARG A 71 -5.718 1.506 6.440 1.00 0.00 O ATOM 1082 CB ARG A 71 -7.798 -0.545 4.830 1.00 0.00 C ATOM 1083 CG ARG A 71 -8.935 -0.877 3.877 1.00 0.00 C ATOM 1084 CD ARG A 71 -9.589 -2.204 4.232 1.00 0.00 C ATOM 1085 NE ARG A 71 -10.625 -2.048 5.249 1.00 0.00 N ATOM 1086 CZ ARG A 71 -11.613 -2.918 5.430 1.00 0.00 C ATOM 1087 NH1 ARG A 71 -11.698 -3.998 4.667 1.00 0.00 N ATOM 1088 NH2 ARG A 71 -12.518 -2.707 6.378 1.00 0.00 N ATOM 0 H ARG A 71 -6.087 0.263 3.247 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.209 1.533 4.470 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.942 -1.179 4.596 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.105 -0.787 5.847 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.681 -0.083 3.908 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.555 -0.919 2.856 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.025 -2.645 3.335 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.829 -2.898 4.592 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.588 -1.227 5.853 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.004 -4.163 3.938 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -12.458 -4.664 4.808 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -12.455 -1.877 6.968 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -13.276 -3.375 6.517 1.00 0.00 H new ATOM 1102 N PRO A 72 -7.883 1.633 7.047 1.00 0.00 N ATOM 1103 CA PRO A 72 -7.610 2.082 8.416 1.00 0.00 C ATOM 1104 C PRO A 72 -6.984 0.985 9.270 1.00 0.00 C ATOM 1105 O PRO A 72 -6.751 1.171 10.464 1.00 0.00 O ATOM 1106 CB PRO A 72 -8.995 2.452 8.951 1.00 0.00 C ATOM 1107 CG PRO A 72 -9.944 1.632 8.147 1.00 0.00 C ATOM 1108 CD PRO A 72 -9.326 1.503 6.782 1.00 0.00 C ATOM 0 HA PRO A 72 -6.895 2.905 8.441 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.081 2.228 10.014 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -9.194 3.517 8.832 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -10.095 0.653 8.601 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.921 2.111 8.089 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.565 0.544 6.322 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.682 2.280 6.105 1.00 0.00 H new ATOM 1116 N GLY A 73 -6.713 -0.160 8.651 1.00 0.00 N ATOM 1117 CA GLY A 73 -6.115 -1.270 9.370 1.00 0.00 C ATOM 1118 C GLY A 73 -4.705 -1.571 8.905 1.00 0.00 C ATOM 1119 O GLY A 73 -3.840 -1.922 9.709 1.00 0.00 O ATOM 0 H GLY A 73 -6.897 -0.339 7.664 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.102 -1.043 10.436 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.734 -2.158 9.241 1.00 0.00 H new ATOM 1123 N ILE A 74 -4.471 -1.435 7.604 1.00 0.00 N ATOM 1124 CA ILE A 74 -3.155 -1.696 7.033 1.00 0.00 C ATOM 1125 C ILE A 74 -2.144 -0.645 7.480 1.00 0.00 C ATOM 1126 O ILE A 74 -2.324 0.549 7.236 1.00 0.00 O ATOM 1127 CB ILE A 74 -3.205 -1.723 5.494 1.00 0.00 C ATOM 1128 CG1 ILE A 74 -4.398 -2.552 5.015 1.00 0.00 C ATOM 1129 CG2 ILE A 74 -1.905 -2.280 4.932 1.00 0.00 C ATOM 1130 CD1 ILE A 74 -4.369 -3.986 5.495 1.00 0.00 C ATOM 0 H ILE A 74 -5.175 -1.146 6.925 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.842 -2.675 7.395 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.327 -0.703 5.131 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.319 -2.081 5.359 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.423 -2.543 3.925 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.955 -2.293 3.843 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.073 -1.652 5.249 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.755 -3.295 5.300 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.245 -4.514 5.117 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.466 -4.474 5.129 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.376 -4.005 6.585 1.00 0.00 H new ATOM 1142 N LEU A 75 -1.080 -1.097 8.134 1.00 0.00 N ATOM 1143 CA LEU A 75 -0.038 -0.196 8.613 1.00 0.00 C ATOM 1144 C LEU A 75 1.121 -0.129 7.624 1.00 0.00 C ATOM 1145 O LEU A 75 1.880 -1.087 7.474 1.00 0.00 O ATOM 1146 CB LEU A 75 0.470 -0.655 9.981 1.00 0.00 C ATOM 1147 CG LEU A 75 -0.549 -0.626 11.121 1.00 0.00 C ATOM 1148 CD1 LEU A 75 -1.197 -1.991 11.293 1.00 0.00 C ATOM 1149 CD2 LEU A 75 0.112 -0.180 12.417 1.00 0.00 C ATOM 0 H LEU A 75 -0.916 -2.081 8.345 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.469 0.801 8.707 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.847 -1.673 9.883 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.316 -0.028 10.261 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.328 0.094 10.868 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.919 -1.951 12.109 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.706 -2.271 10.371 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.431 -2.731 11.523 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.628 -0.165 13.217 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.912 -0.874 12.675 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.527 0.820 12.289 1.00 0.00 H new ATOM 1161 N VAL A 76 1.254 1.011 6.953 1.00 0.00 N ATOM 1162 CA VAL A 76 2.323 1.205 5.980 1.00 0.00 C ATOM 1163 C VAL A 76 3.522 1.903 6.613 1.00 0.00 C ATOM 1164 O VAL A 76 3.381 2.641 7.589 1.00 0.00 O ATOM 1165 CB VAL A 76 1.840 2.031 4.773 1.00 0.00 C ATOM 1166 CG1 VAL A 76 0.528 1.478 4.238 1.00 0.00 C ATOM 1167 CG2 VAL A 76 1.695 3.496 5.155 1.00 0.00 C ATOM 0 H VAL A 76 0.635 1.814 7.065 1.00 0.00 H new ATOM 0 HA VAL A 76 2.622 0.215 5.637 1.00 0.00 H new ATOM 0 HB VAL A 76 2.586 1.958 3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.202 2.074 3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.670 0.444 3.924 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.230 1.519 5.020 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.353 4.065 4.291 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.969 3.591 5.963 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.659 3.883 5.486 1.00 0.00 H new ATOM 1177 N LEU A 77 4.702 1.665 6.052 1.00 0.00 N ATOM 1178 CA LEU A 77 5.927 2.271 6.560 1.00 0.00 C ATOM 1179 C LEU A 77 6.887 2.598 5.421 1.00 0.00 C ATOM 1180 O LEU A 77 7.266 1.720 4.645 1.00 0.00 O ATOM 1181 CB LEU A 77 6.606 1.335 7.561 1.00 0.00 C ATOM 1182 CG LEU A 77 6.163 1.475 9.018 1.00 0.00 C ATOM 1183 CD1 LEU A 77 6.298 0.147 9.747 1.00 0.00 C ATOM 1184 CD2 LEU A 77 6.971 2.556 9.720 1.00 0.00 C ATOM 0 H LEU A 77 4.836 1.056 5.245 1.00 0.00 H new ATOM 0 HA LEU A 77 5.660 3.200 7.064 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.428 0.307 7.245 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.682 1.502 7.512 1.00 0.00 H new ATOM 0 HG LEU A 77 5.113 1.768 9.032 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.978 0.266 10.782 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.674 -0.601 9.258 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.339 -0.177 9.724 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.642 2.641 10.756 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.029 2.293 9.696 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.822 3.509 9.212 1.00 0.00 H new ATOM 1196 N ILE A 78 7.278 3.864 5.328 1.00 0.00 N ATOM 1197 CA ILE A 78 8.197 4.305 4.285 1.00 0.00 C ATOM 1198 C ILE A 78 9.637 4.305 4.786 1.00 0.00 C ATOM 1199 O ILE A 78 9.985 5.044 5.706 1.00 0.00 O ATOM 1200 CB ILE A 78 7.840 5.715 3.780 1.00 0.00 C ATOM 1201 CG1 ILE A 78 6.433 5.725 3.180 1.00 0.00 C ATOM 1202 CG2 ILE A 78 8.862 6.185 2.755 1.00 0.00 C ATOM 1203 CD1 ILE A 78 5.812 7.103 3.118 1.00 0.00 C ATOM 0 H ILE A 78 6.973 4.603 5.962 1.00 0.00 H new ATOM 0 HA ILE A 78 8.102 3.598 3.460 1.00 0.00 H new ATOM 0 HB ILE A 78 7.859 6.403 4.625 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.473 5.308 2.174 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.790 5.072 3.771 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.596 7.183 2.407 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.851 6.212 3.213 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.872 5.497 1.910 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.816 7.034 2.682 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.740 7.515 4.124 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.433 7.755 2.503 1.00 0.00 H new ATOM 1215 N ASN A 79 10.472 3.473 4.171 1.00 0.00 N ATOM 1216 CA ASN A 79 11.876 3.378 4.554 1.00 0.00 C ATOM 1217 C ASN A 79 12.022 3.297 6.070 1.00 0.00 C ATOM 1218 O ASN A 79 12.867 3.972 6.660 1.00 0.00 O ATOM 1219 CB ASN A 79 12.654 4.582 4.018 1.00 0.00 C ATOM 1220 CG ASN A 79 13.068 4.405 2.570 1.00 0.00 C ATOM 1221 OD1 ASN A 79 13.260 3.283 2.101 1.00 0.00 O ATOM 1222 ND2 ASN A 79 13.208 5.515 1.855 1.00 0.00 N ATOM 0 H ASN A 79 10.201 2.855 3.406 1.00 0.00 H new ATOM 0 HA ASN A 79 12.285 2.466 4.119 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.040 5.478 4.111 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.542 4.739 4.630 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.485 5.459 0.875 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.038 6.424 2.286 1.00 0.00 H new ATOM 1229 N ASP A 80 11.196 2.466 6.695 1.00 0.00 N ATOM 1230 CA ASP A 80 11.234 2.295 8.143 1.00 0.00 C ATOM 1231 C ASP A 80 10.826 3.582 8.853 1.00 0.00 C ATOM 1232 O ASP A 80 11.485 4.018 9.797 1.00 0.00 O ATOM 1233 CB ASP A 80 12.633 1.872 8.592 1.00 0.00 C ATOM 1234 CG ASP A 80 12.626 1.185 9.943 1.00 0.00 C ATOM 1235 OD1 ASP A 80 12.130 1.793 10.914 1.00 0.00 O ATOM 1236 OD2 ASP A 80 13.116 0.040 10.029 1.00 0.00 O ATOM 0 H ASP A 80 10.492 1.900 6.222 1.00 0.00 H new ATOM 0 HA ASP A 80 10.524 1.513 8.410 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.062 1.200 7.849 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.277 2.750 8.638 1.00 0.00 H new ATOM 1241 N ALA A 81 9.735 4.187 8.392 1.00 0.00 N ATOM 1242 CA ALA A 81 9.239 5.423 8.984 1.00 0.00 C ATOM 1243 C ALA A 81 7.753 5.611 8.697 1.00 0.00 C ATOM 1244 O ALA A 81 7.331 5.619 7.541 1.00 0.00 O ATOM 1245 CB ALA A 81 10.034 6.612 8.465 1.00 0.00 C ATOM 0 H ALA A 81 9.178 3.841 7.611 1.00 0.00 H new ATOM 0 HA ALA A 81 9.368 5.358 10.064 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.653 7.529 8.915 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.085 6.489 8.726 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.934 6.671 7.381 1.00 0.00 H new ATOM 1251 N ASP A 82 6.966 5.762 9.756 1.00 0.00 N ATOM 1252 CA ASP A 82 5.526 5.950 9.618 1.00 0.00 C ATOM 1253 C ASP A 82 5.215 6.987 8.543 1.00 0.00 C ATOM 1254 O ASP A 82 5.617 8.145 8.649 1.00 0.00 O ATOM 1255 CB ASP A 82 4.917 6.382 10.953 1.00 0.00 C ATOM 1256 CG ASP A 82 3.474 5.938 11.101 1.00 0.00 C ATOM 1257 OD1 ASP A 82 3.126 4.864 10.567 1.00 0.00 O ATOM 1258 OD2 ASP A 82 2.694 6.665 11.750 1.00 0.00 O ATOM 0 H ASP A 82 7.300 5.758 10.720 1.00 0.00 H new ATOM 0 HA ASP A 82 5.086 4.999 9.318 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.508 5.967 11.770 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.971 7.467 11.040 1.00 0.00 H new ATOM 1263 N TRP A 83 4.497 6.562 7.510 1.00 0.00 N ATOM 1264 CA TRP A 83 4.133 7.454 6.414 1.00 0.00 C ATOM 1265 C TRP A 83 3.301 8.626 6.921 1.00 0.00 C ATOM 1266 O TRP A 83 3.233 9.673 6.279 1.00 0.00 O ATOM 1267 CB TRP A 83 3.357 6.687 5.342 1.00 0.00 C ATOM 1268 CG TRP A 83 1.984 6.277 5.782 1.00 0.00 C ATOM 1269 CD1 TRP A 83 1.627 5.792 7.008 1.00 0.00 C ATOM 1270 CD2 TRP A 83 0.786 6.313 4.999 1.00 0.00 C ATOM 1271 NE1 TRP A 83 0.279 5.525 7.033 1.00 0.00 N ATOM 1272 CE2 TRP A 83 -0.259 5.837 5.813 1.00 0.00 C ATOM 1273 CE3 TRP A 83 0.495 6.704 3.689 1.00 0.00 C ATOM 1274 CZ2 TRP A 83 -1.572 5.741 5.359 1.00 0.00 C ATOM 1275 CZ3 TRP A 83 -0.808 6.608 3.240 1.00 0.00 C ATOM 1276 CH2 TRP A 83 -1.829 6.131 4.073 1.00 0.00 C ATOM 0 H TRP A 83 4.155 5.606 7.408 1.00 0.00 H new ATOM 0 HA TRP A 83 5.051 7.847 5.977 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.275 7.307 4.449 1.00 0.00 H new ATOM 0 HB3 TRP A 83 3.921 5.798 5.061 1.00 0.00 H new ATOM 0 HD1 TRP A 83 2.304 5.641 7.836 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -0.237 5.154 7.831 1.00 0.00 H new ATOM 0 HE3 TRP A 83 1.274 7.074 3.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -2.359 5.372 5.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -1.044 6.906 2.229 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.838 6.070 3.693 1.00 0.00 H new ATOM 1287 N GLU A 84 2.670 8.443 8.077 1.00 0.00 N ATOM 1288 CA GLU A 84 1.842 9.488 8.668 1.00 0.00 C ATOM 1289 C GLU A 84 2.691 10.684 9.087 1.00 0.00 C ATOM 1290 O GLU A 84 2.217 11.820 9.106 1.00 0.00 O ATOM 1291 CB GLU A 84 1.079 8.941 9.877 1.00 0.00 C ATOM 1292 CG GLU A 84 0.633 7.498 9.714 1.00 0.00 C ATOM 1293 CD GLU A 84 -0.508 7.132 10.643 1.00 0.00 C ATOM 1294 OE1 GLU A 84 -0.442 7.498 11.835 1.00 0.00 O ATOM 1295 OE2 GLU A 84 -1.466 6.479 10.179 1.00 0.00 O ATOM 0 H GLU A 84 2.716 7.582 8.622 1.00 0.00 H new ATOM 0 HA GLU A 84 1.127 9.819 7.915 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.712 9.019 10.761 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.203 9.565 10.056 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.324 7.331 8.682 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.478 6.837 9.904 1.00 0.00 H new ATOM 1302 N LEU A 85 3.949 10.420 9.422 1.00 0.00 N ATOM 1303 CA LEU A 85 4.867 11.473 9.842 1.00 0.00 C ATOM 1304 C LEU A 85 5.479 12.175 8.634 1.00 0.00 C ATOM 1305 O LEU A 85 5.860 13.344 8.708 1.00 0.00 O ATOM 1306 CB LEU A 85 5.974 10.892 10.723 1.00 0.00 C ATOM 1307 CG LEU A 85 5.644 10.754 12.210 1.00 0.00 C ATOM 1308 CD1 LEU A 85 4.319 10.033 12.399 1.00 0.00 C ATOM 1309 CD2 LEU A 85 6.761 10.019 12.937 1.00 0.00 C ATOM 0 H LEU A 85 4.357 9.485 9.411 1.00 0.00 H new ATOM 0 HA LEU A 85 4.301 12.206 10.417 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.239 9.908 10.337 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.858 11.522 10.624 1.00 0.00 H new ATOM 0 HG LEU A 85 5.554 11.753 12.637 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.102 9.944 13.463 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.524 10.598 11.912 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.380 9.038 11.957 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.510 9.930 13.994 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.882 9.025 12.507 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.692 10.576 12.831 1.00 0.00 H new ATOM 1321 N LEU A 86 5.568 11.455 7.521 1.00 0.00 N ATOM 1322 CA LEU A 86 6.132 12.010 6.295 1.00 0.00 C ATOM 1323 C LEU A 86 5.043 12.630 5.426 1.00 0.00 C ATOM 1324 O LEU A 86 4.967 13.849 5.283 1.00 0.00 O ATOM 1325 CB LEU A 86 6.868 10.921 5.511 1.00 0.00 C ATOM 1326 CG LEU A 86 7.928 10.137 6.284 1.00 0.00 C ATOM 1327 CD1 LEU A 86 8.184 8.791 5.625 1.00 0.00 C ATOM 1328 CD2 LEU A 86 9.218 10.939 6.383 1.00 0.00 C ATOM 0 H LEU A 86 5.257 10.487 7.442 1.00 0.00 H new ATOM 0 HA LEU A 86 6.839 12.792 6.571 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.130 10.216 5.128 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.345 11.383 4.647 1.00 0.00 H new ATOM 0 HG LEU A 86 7.556 9.959 7.293 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.942 8.248 6.190 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.260 8.213 5.608 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.534 8.946 4.605 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.961 10.365 6.937 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.594 11.149 5.382 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.024 11.878 6.902 1.00 0.00 H new ATOM 1340 N GLY A 87 4.198 11.780 4.848 1.00 0.00 N ATOM 1341 CA GLY A 87 3.122 12.263 4.003 1.00 0.00 C ATOM 1342 C GLY A 87 2.184 11.155 3.568 1.00 0.00 C ATOM 1343 O GLY A 87 2.396 10.525 2.533 1.00 0.00 O ATOM 0 H GLY A 87 4.240 10.766 4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.556 13.024 4.540 1.00 0.00 H new ATOM 0 HA3 GLY A 87 3.545 12.744 3.121 1.00 0.00 H new ATOM 1347 N GLU A 88 1.145 10.916 4.363 1.00 0.00 N ATOM 1348 CA GLU A 88 0.173 9.874 4.055 1.00 0.00 C ATOM 1349 C GLU A 88 -0.031 9.748 2.548 1.00 0.00 C ATOM 1350 O GLU A 88 0.420 8.785 1.926 1.00 0.00 O ATOM 1351 CB GLU A 88 -1.163 10.173 4.738 1.00 0.00 C ATOM 1352 CG GLU A 88 -1.079 10.195 6.255 1.00 0.00 C ATOM 1353 CD GLU A 88 -0.862 8.816 6.847 1.00 0.00 C ATOM 1354 OE1 GLU A 88 0.235 8.252 6.649 1.00 0.00 O ATOM 1355 OE2 GLU A 88 -1.788 8.300 7.507 1.00 0.00 O ATOM 0 H GLU A 88 0.955 11.429 5.224 1.00 0.00 H new ATOM 0 HA GLU A 88 0.562 8.928 4.432 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.532 11.137 4.389 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.893 9.423 4.434 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.263 10.850 6.561 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.998 10.620 6.660 1.00 0.00 H new ATOM 1362 N LEU A 89 -0.715 10.727 1.966 1.00 0.00 N ATOM 1363 CA LEU A 89 -0.980 10.728 0.531 1.00 0.00 C ATOM 1364 C LEU A 89 -0.354 11.947 -0.138 1.00 0.00 C ATOM 1365 O LEU A 89 -0.842 12.425 -1.162 1.00 0.00 O ATOM 1366 CB LEU A 89 -2.487 10.707 0.271 1.00 0.00 C ATOM 1367 CG LEU A 89 -3.264 9.556 0.913 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -4.745 9.890 0.991 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -3.045 8.267 0.135 1.00 0.00 C ATOM 0 H LEU A 89 -1.096 11.530 2.466 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.531 9.832 0.103 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.910 11.647 0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.649 10.672 -0.806 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.892 9.412 1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.282 9.060 1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.884 10.789 1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.133 10.061 -0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.605 7.459 0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.390 8.398 -0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.983 8.020 0.132 1.00 0.00 H new ATOM 1381 N ASP A 90 0.731 12.444 0.446 1.00 0.00 N ATOM 1382 CA ASP A 90 1.427 13.606 -0.096 1.00 0.00 C ATOM 1383 C ASP A 90 2.886 13.275 -0.393 1.00 0.00 C ATOM 1384 O ASP A 90 3.488 13.843 -1.304 1.00 0.00 O ATOM 1385 CB ASP A 90 1.346 14.778 0.884 1.00 0.00 C ATOM 1386 CG ASP A 90 -0.027 15.422 0.904 1.00 0.00 C ATOM 1387 OD1 ASP A 90 -1.022 14.703 0.675 1.00 0.00 O ATOM 1388 OD2 ASP A 90 -0.105 16.644 1.148 1.00 0.00 O ATOM 0 H ASP A 90 1.148 12.061 1.294 1.00 0.00 H new ATOM 0 HA ASP A 90 0.940 13.889 -1.029 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.595 14.428 1.886 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.091 15.526 0.614 1.00 0.00 H new ATOM 1393 N TYR A 91 3.448 12.354 0.381 1.00 0.00 N ATOM 1394 CA TYR A 91 4.838 11.950 0.203 1.00 0.00 C ATOM 1395 C TYR A 91 5.065 11.380 -1.194 1.00 0.00 C ATOM 1396 O TYR A 91 4.427 10.405 -1.588 1.00 0.00 O ATOM 1397 CB TYR A 91 5.229 10.915 1.258 1.00 0.00 C ATOM 1398 CG TYR A 91 6.710 10.612 1.289 1.00 0.00 C ATOM 1399 CD1 TYR A 91 7.257 9.636 0.464 1.00 0.00 C ATOM 1400 CD2 TYR A 91 7.563 11.299 2.144 1.00 0.00 C ATOM 1401 CE1 TYR A 91 8.609 9.356 0.489 1.00 0.00 C ATOM 1402 CE2 TYR A 91 8.916 11.026 2.175 1.00 0.00 C ATOM 1403 CZ TYR A 91 9.435 10.054 1.346 1.00 0.00 C ATOM 1404 OH TYR A 91 10.783 9.778 1.374 1.00 0.00 O ATOM 0 H TYR A 91 2.963 11.873 1.138 1.00 0.00 H new ATOM 0 HA TYR A 91 5.465 12.834 0.321 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.920 11.274 2.239 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.682 9.992 1.069 1.00 0.00 H new ATOM 0 HD1 TYR A 91 6.614 9.087 -0.208 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.160 12.060 2.796 1.00 0.00 H new ATOM 0 HE1 TYR A 91 9.018 8.595 -0.159 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.565 11.571 2.845 1.00 0.00 H new ATOM 0 HH TYR A 91 11.222 10.358 2.031 1.00 0.00 H new ATOM 1414 N GLN A 92 5.978 11.997 -1.936 1.00 0.00 N ATOM 1415 CA GLN A 92 6.290 11.552 -3.289 1.00 0.00 C ATOM 1416 C GLN A 92 7.578 10.735 -3.310 1.00 0.00 C ATOM 1417 O GLN A 92 8.677 11.289 -3.265 1.00 0.00 O ATOM 1418 CB GLN A 92 6.418 12.753 -4.227 1.00 0.00 C ATOM 1419 CG GLN A 92 5.280 13.752 -4.096 1.00 0.00 C ATOM 1420 CD GLN A 92 5.548 15.043 -4.843 1.00 0.00 C ATOM 1421 OE1 GLN A 92 4.873 15.358 -5.824 1.00 0.00 O ATOM 1422 NE2 GLN A 92 6.537 15.800 -4.382 1.00 0.00 N ATOM 0 H GLN A 92 6.515 12.806 -1.624 1.00 0.00 H new ATOM 0 HA GLN A 92 5.473 10.917 -3.633 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.361 13.261 -4.026 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.461 12.397 -5.256 1.00 0.00 H new ATOM 0 HG2 GLN A 92 4.362 13.302 -4.473 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.116 13.974 -3.042 1.00 0.00 H new ATOM 0 HE21 GLN A 92 7.071 15.501 -3.566 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.763 16.681 -4.844 1.00 0.00 H new ATOM 1431 N LEU A 93 7.435 9.416 -3.379 1.00 0.00 N ATOM 1432 CA LEU A 93 8.588 8.522 -3.406 1.00 0.00 C ATOM 1433 C LEU A 93 9.593 8.961 -4.467 1.00 0.00 C ATOM 1434 O LEU A 93 9.212 9.406 -5.549 1.00 0.00 O ATOM 1435 CB LEU A 93 8.138 7.086 -3.678 1.00 0.00 C ATOM 1436 CG LEU A 93 7.272 6.438 -2.596 1.00 0.00 C ATOM 1437 CD1 LEU A 93 6.999 4.980 -2.933 1.00 0.00 C ATOM 1438 CD2 LEU A 93 7.942 6.556 -1.235 1.00 0.00 C ATOM 0 H LEU A 93 6.533 8.942 -3.417 1.00 0.00 H new ATOM 0 HA LEU A 93 9.074 8.566 -2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.583 7.072 -4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 93 9.025 6.470 -3.823 1.00 0.00 H new ATOM 0 HG LEU A 93 6.319 6.965 -2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 93 6.382 4.536 -2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 93 6.476 4.919 -3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.943 4.439 -3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 93 7.312 6.090 -0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.909 6.055 -1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 93 8.085 7.608 -0.990 1.00 0.00 H new ATOM 1450 N GLN A 94 10.876 8.830 -4.148 1.00 0.00 N ATOM 1451 CA GLN A 94 11.936 9.212 -5.075 1.00 0.00 C ATOM 1452 C GLN A 94 12.378 8.020 -5.917 1.00 0.00 C ATOM 1453 O GLN A 94 12.041 7.923 -7.098 1.00 0.00 O ATOM 1454 CB GLN A 94 13.131 9.781 -4.309 1.00 0.00 C ATOM 1455 CG GLN A 94 12.887 11.173 -3.748 1.00 0.00 C ATOM 1456 CD GLN A 94 13.049 12.260 -4.792 1.00 0.00 C ATOM 1457 OE1 GLN A 94 13.968 12.219 -5.611 1.00 0.00 O ATOM 1458 NE2 GLN A 94 12.154 13.241 -4.769 1.00 0.00 N ATOM 0 H GLN A 94 11.207 8.463 -3.256 1.00 0.00 H new ATOM 0 HA GLN A 94 11.542 9.979 -5.742 1.00 0.00 H new ATOM 0 HB2 GLN A 94 13.381 9.107 -3.490 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.996 9.812 -4.972 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.881 11.221 -3.332 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.581 11.357 -2.927 1.00 0.00 H new ATOM 0 HE21 GLN A 94 11.409 13.235 -4.073 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.212 14.000 -5.448 1.00 0.00 H new ATOM 1467 N ASP A 95 13.133 7.116 -5.304 1.00 0.00 N ATOM 1468 CA ASP A 95 13.621 5.929 -5.998 1.00 0.00 C ATOM 1469 C ASP A 95 14.250 4.946 -5.016 1.00 0.00 C ATOM 1470 O ASP A 95 14.506 5.286 -3.861 1.00 0.00 O ATOM 1471 CB ASP A 95 14.639 6.321 -7.069 1.00 0.00 C ATOM 1472 CG ASP A 95 15.631 5.212 -7.358 1.00 0.00 C ATOM 1473 OD1 ASP A 95 15.285 4.292 -8.129 1.00 0.00 O ATOM 1474 OD2 ASP A 95 16.754 5.264 -6.815 1.00 0.00 O ATOM 0 H ASP A 95 13.421 7.182 -4.328 1.00 0.00 H new ATOM 0 HA ASP A 95 12.771 5.443 -6.477 1.00 0.00 H new ATOM 0 HB2 ASP A 95 14.113 6.583 -7.987 1.00 0.00 H new ATOM 0 HB3 ASP A 95 15.178 7.211 -6.745 1.00 0.00 H new ATOM 1479 N GLN A 96 14.494 3.726 -5.483 1.00 0.00 N ATOM 1480 CA GLN A 96 15.091 2.693 -4.645 1.00 0.00 C ATOM 1481 C GLN A 96 14.547 2.765 -3.222 1.00 0.00 C ATOM 1482 O GLN A 96 15.215 2.359 -2.270 1.00 0.00 O ATOM 1483 CB GLN A 96 16.614 2.836 -4.629 1.00 0.00 C ATOM 1484 CG GLN A 96 17.303 2.130 -5.786 1.00 0.00 C ATOM 1485 CD GLN A 96 17.365 0.627 -5.599 1.00 0.00 C ATOM 1486 OE1 GLN A 96 18.353 0.092 -5.095 1.00 0.00 O ATOM 1487 NE2 GLN A 96 16.306 -0.064 -6.003 1.00 0.00 N ATOM 0 H GLN A 96 14.288 3.429 -6.437 1.00 0.00 H new ATOM 0 HA GLN A 96 14.829 1.723 -5.066 1.00 0.00 H new ATOM 0 HB2 GLN A 96 16.872 3.895 -4.655 1.00 0.00 H new ATOM 0 HB3 GLN A 96 16.998 2.437 -3.690 1.00 0.00 H new ATOM 0 HG2 GLN A 96 16.773 2.356 -6.712 1.00 0.00 H new ATOM 0 HG3 GLN A 96 18.315 2.521 -5.894 1.00 0.00 H new ATOM 0 HE21 GLN A 96 15.508 0.420 -6.415 1.00 0.00 H new ATOM 0 HE22 GLN A 96 16.290 -1.079 -5.901 1.00 0.00 H new ATOM 1496 N ASP A 97 13.332 3.284 -3.084 1.00 0.00 N ATOM 1497 CA ASP A 97 12.698 3.408 -1.776 1.00 0.00 C ATOM 1498 C ASP A 97 12.003 2.108 -1.383 1.00 0.00 C ATOM 1499 O ASP A 97 11.469 1.397 -2.234 1.00 0.00 O ATOM 1500 CB ASP A 97 11.690 4.559 -1.782 1.00 0.00 C ATOM 1501 CG ASP A 97 12.362 5.917 -1.750 1.00 0.00 C ATOM 1502 OD1 ASP A 97 13.499 6.004 -1.243 1.00 0.00 O ATOM 1503 OD2 ASP A 97 11.749 6.894 -2.231 1.00 0.00 O ATOM 0 H ASP A 97 12.766 3.626 -3.861 1.00 0.00 H new ATOM 0 HA ASP A 97 13.475 3.619 -1.041 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.066 4.487 -2.673 1.00 0.00 H new ATOM 0 HB3 ASP A 97 11.029 4.464 -0.921 1.00 0.00 H new ATOM 1508 N SER A 98 12.016 1.804 -0.089 1.00 0.00 N ATOM 1509 CA SER A 98 11.392 0.587 0.416 1.00 0.00 C ATOM 1510 C SER A 98 10.080 0.905 1.127 1.00 0.00 C ATOM 1511 O SER A 98 10.045 1.709 2.059 1.00 0.00 O ATOM 1512 CB SER A 98 12.340 -0.139 1.372 1.00 0.00 C ATOM 1513 OG SER A 98 11.797 -1.382 1.783 1.00 0.00 O ATOM 0 H SER A 98 12.452 2.384 0.628 1.00 0.00 H new ATOM 0 HA SER A 98 11.178 -0.062 -0.433 1.00 0.00 H new ATOM 0 HB2 SER A 98 13.300 -0.302 0.883 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.529 0.485 2.245 1.00 0.00 H new ATOM 0 HG SER A 98 12.423 -1.827 2.392 1.00 0.00 H new ATOM 1519 N ILE A 99 9.003 0.268 0.681 1.00 0.00 N ATOM 1520 CA ILE A 99 7.689 0.481 1.275 1.00 0.00 C ATOM 1521 C ILE A 99 7.152 -0.803 1.897 1.00 0.00 C ATOM 1522 O ILE A 99 7.020 -1.825 1.223 1.00 0.00 O ATOM 1523 CB ILE A 99 6.677 0.996 0.233 1.00 0.00 C ATOM 1524 CG1 ILE A 99 7.349 1.992 -0.714 1.00 0.00 C ATOM 1525 CG2 ILE A 99 5.484 1.637 0.925 1.00 0.00 C ATOM 1526 CD1 ILE A 99 7.802 3.263 -0.032 1.00 0.00 C ATOM 0 H ILE A 99 9.014 -0.400 -0.090 1.00 0.00 H new ATOM 0 HA ILE A 99 7.813 1.234 2.053 1.00 0.00 H new ATOM 0 HB ILE A 99 6.320 0.150 -0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.210 1.513 -1.181 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.653 2.246 -1.514 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.778 1.996 0.176 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.994 0.901 1.562 1.00 0.00 H new ATOM 0 HG23 ILE A 99 5.824 2.475 1.534 1.00 0.00 H new ATOM 0 HD11 ILE A 99 8.269 3.922 -0.764 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.942 3.765 0.411 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.522 3.020 0.749 1.00 0.00 H new ATOM 1538 N LEU A 100 6.842 -0.743 3.187 1.00 0.00 N ATOM 1539 CA LEU A 100 6.316 -1.902 3.902 1.00 0.00 C ATOM 1540 C LEU A 100 4.813 -1.769 4.123 1.00 0.00 C ATOM 1541 O LEU A 100 4.311 -0.685 4.420 1.00 0.00 O ATOM 1542 CB LEU A 100 7.029 -2.062 5.247 1.00 0.00 C ATOM 1543 CG LEU A 100 6.349 -2.983 6.260 1.00 0.00 C ATOM 1544 CD1 LEU A 100 6.836 -4.414 6.092 1.00 0.00 C ATOM 1545 CD2 LEU A 100 6.603 -2.495 7.679 1.00 0.00 C ATOM 0 H LEU A 100 6.945 0.095 3.760 1.00 0.00 H new ATOM 0 HA LEU A 100 6.498 -2.788 3.293 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.034 -2.439 5.060 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.137 -1.076 5.698 1.00 0.00 H new ATOM 0 HG LEU A 100 5.275 -2.963 6.076 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.341 -5.055 6.822 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.603 -4.762 5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.914 -4.452 6.248 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.112 -3.163 8.387 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.675 -2.485 7.874 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.204 -1.487 7.794 1.00 0.00 H new ATOM 1557 N PHE A 101 4.099 -2.881 3.978 1.00 0.00 N ATOM 1558 CA PHE A 101 2.652 -2.890 4.163 1.00 0.00 C ATOM 1559 C PHE A 101 2.231 -4.013 5.106 1.00 0.00 C ATOM 1560 O PHE A 101 2.326 -5.192 4.765 1.00 0.00 O ATOM 1561 CB PHE A 101 1.946 -3.049 2.815 1.00 0.00 C ATOM 1562 CG PHE A 101 2.170 -1.894 1.881 1.00 0.00 C ATOM 1563 CD1 PHE A 101 1.340 -0.785 1.918 1.00 0.00 C ATOM 1564 CD2 PHE A 101 3.209 -1.918 0.965 1.00 0.00 C ATOM 1565 CE1 PHE A 101 1.544 0.280 1.061 1.00 0.00 C ATOM 1566 CE2 PHE A 101 3.417 -0.856 0.105 1.00 0.00 C ATOM 1567 CZ PHE A 101 2.583 0.243 0.152 1.00 0.00 C ATOM 0 H PHE A 101 4.499 -3.787 3.733 1.00 0.00 H new ATOM 0 HA PHE A 101 2.362 -1.938 4.608 1.00 0.00 H new ATOM 0 HB2 PHE A 101 2.294 -3.965 2.337 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.876 -3.165 2.986 1.00 0.00 H new ATOM 0 HD1 PHE A 101 0.524 -0.752 2.625 1.00 0.00 H new ATOM 0 HD2 PHE A 101 3.864 -2.776 0.922 1.00 0.00 H new ATOM 0 HE1 PHE A 101 0.892 1.140 1.102 1.00 0.00 H new ATOM 0 HE2 PHE A 101 4.232 -0.886 -0.603 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.743 1.072 -0.521 1.00 0.00 H new ATOM 1577 N ILE A 102 1.768 -3.637 6.293 1.00 0.00 N ATOM 1578 CA ILE A 102 1.332 -4.612 7.286 1.00 0.00 C ATOM 1579 C ILE A 102 -0.189 -4.710 7.328 1.00 0.00 C ATOM 1580 O ILE A 102 -0.889 -3.699 7.270 1.00 0.00 O ATOM 1581 CB ILE A 102 1.851 -4.255 8.691 1.00 0.00 C ATOM 1582 CG1 ILE A 102 3.371 -4.420 8.753 1.00 0.00 C ATOM 1583 CG2 ILE A 102 1.176 -5.123 9.742 1.00 0.00 C ATOM 1584 CD1 ILE A 102 3.970 -4.007 10.080 1.00 0.00 C ATOM 0 H ILE A 102 1.685 -2.665 6.591 1.00 0.00 H new ATOM 0 HA ILE A 102 1.748 -5.574 6.988 1.00 0.00 H new ATOM 0 HB ILE A 102 1.608 -3.213 8.898 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.623 -5.462 8.558 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.825 -3.828 7.958 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.554 -4.858 10.730 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.099 -4.961 9.710 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.391 -6.172 9.540 1.00 0.00 H new ATOM 0 HD11 ILE A 102 5.050 -4.151 10.052 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.748 -2.956 10.268 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.543 -4.616 10.877 1.00 0.00 H new ATOM 1596 N SER A 103 -0.695 -5.935 7.432 1.00 0.00 N ATOM 1597 CA SER A 103 -2.134 -6.167 7.480 1.00 0.00 C ATOM 1598 C SER A 103 -2.567 -6.604 8.877 1.00 0.00 C ATOM 1599 O SER A 103 -2.067 -7.593 9.414 1.00 0.00 O ATOM 1600 CB SER A 103 -2.536 -7.228 6.454 1.00 0.00 C ATOM 1601 OG SER A 103 -3.921 -7.155 6.162 1.00 0.00 O ATOM 0 H SER A 103 -0.129 -6.782 7.485 1.00 0.00 H new ATOM 0 HA SER A 103 -2.636 -5.230 7.239 1.00 0.00 H new ATOM 0 HB2 SER A 103 -1.960 -7.090 5.539 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.293 -8.219 6.837 1.00 0.00 H new ATOM 0 HG SER A 103 -4.153 -7.842 5.503 1.00 0.00 H new ATOM 1607 N THR A 104 -3.500 -5.859 9.460 1.00 0.00 N ATOM 1608 CA THR A 104 -4.001 -6.167 10.794 1.00 0.00 C ATOM 1609 C THR A 104 -5.524 -6.131 10.831 1.00 0.00 C ATOM 1610 O THR A 104 -6.122 -5.759 11.841 1.00 0.00 O ATOM 1611 CB THR A 104 -3.450 -5.181 11.842 1.00 0.00 C ATOM 1612 OG1 THR A 104 -3.669 -5.695 13.160 1.00 0.00 O ATOM 1613 CG2 THR A 104 -4.115 -3.820 11.706 1.00 0.00 C ATOM 0 H THR A 104 -3.924 -5.038 9.029 1.00 0.00 H new ATOM 0 HA THR A 104 -3.658 -7.173 11.036 1.00 0.00 H new ATOM 0 HB THR A 104 -2.380 -5.063 11.671 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.610 -5.950 13.260 1.00 0.00 H new ATOM 0 HG21 THR A 104 -3.710 -3.141 12.456 1.00 0.00 H new ATOM 0 HG22 THR A 104 -3.922 -3.419 10.711 1.00 0.00 H new ATOM 0 HG23 THR A 104 -5.190 -3.924 11.853 1.00 0.00 H new