USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 655 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 HIS : no HD1:sc= -0.0269 X(o=-0.027,f=-0.0014) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 2:sc= 0.457 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.318 K(o=-0.32,f=-2.2) USER MOD Single : A 54 CYS SG : rot -22:sc= -4.93! USER MOD Single : A 65 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-3.1!) USER MOD Single : A 67 ASN :FLIP amide:sc= 0 F(o=-2.1!,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -38:sc= 0.4 USER MOD Single : A 72 GLN : amide:sc= -4.64! C(o=-4.6!,f=-6.8!) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0752 USER MOD Single : A 76 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.049) USER MOD Single : A 78 GLN : amide:sc= -0.482 X(o=-0.48,f=-0.27) USER MOD Single : A 89 GLN : amide:sc= -0.0103 K(o=-0.01,f=-1.2) USER MOD Single : A 91 HIS : no HD1:sc= -1.81! C(o=-1.8!,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 111 N HIS A 12 -3.536 -11.276 -3.926 1.00 0.00 N ATOM 112 CA HIS A 12 -3.511 -9.907 -3.421 1.00 0.00 C ATOM 113 C HIS A 12 -4.496 -9.735 -2.269 1.00 0.00 C ATOM 114 O HIS A 12 -5.570 -10.337 -2.262 1.00 0.00 O ATOM 115 CB HIS A 12 -3.841 -8.922 -4.543 1.00 0.00 C ATOM 116 CG HIS A 12 -3.408 -9.390 -5.898 1.00 0.00 C ATOM 117 ND1 HIS A 12 -4.274 -9.515 -6.963 1.00 0.00 N ATOM 118 CD2 HIS A 12 -2.191 -9.761 -6.359 1.00 0.00 C ATOM 119 CE1 HIS A 12 -3.609 -9.945 -8.020 1.00 0.00 C ATOM 120 NE2 HIS A 12 -2.342 -10.102 -7.680 1.00 0.00 N ATOM 0 HA HIS A 12 -2.507 -9.700 -3.050 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.917 -8.745 -4.555 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.363 -7.966 -4.328 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -1.272 -9.784 -5.793 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -4.029 -10.136 -8.996 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -1.597 -10.424 -8.298 1.00 0.00 H new ATOM 129 N PHE A 13 -4.123 -8.909 -1.297 1.00 0.00 N ATOM 130 CA PHE A 13 -4.973 -8.659 -0.139 1.00 0.00 C ATOM 131 C PHE A 13 -4.946 -7.183 0.247 1.00 0.00 C ATOM 132 O PHE A 13 -4.103 -6.422 -0.227 1.00 0.00 O ATOM 133 CB PHE A 13 -4.523 -9.516 1.046 1.00 0.00 C ATOM 134 CG PHE A 13 -3.109 -9.247 1.477 1.00 0.00 C ATOM 135 CD1 PHE A 13 -2.046 -9.847 0.823 1.00 0.00 C ATOM 136 CD2 PHE A 13 -2.845 -8.394 2.537 1.00 0.00 C ATOM 137 CE1 PHE A 13 -0.744 -9.602 1.217 1.00 0.00 C ATOM 138 CE2 PHE A 13 -1.545 -8.144 2.934 1.00 0.00 C ATOM 139 CZ PHE A 13 -0.493 -8.750 2.275 1.00 0.00 C ATOM 0 H PHE A 13 -3.238 -8.402 -1.288 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.995 -8.928 -0.405 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.191 -9.337 1.888 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.620 -10.569 0.780 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.237 -10.514 -0.005 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.664 -7.920 3.058 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.076 -10.076 0.698 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.352 -7.475 3.759 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.523 -8.558 2.586 1.00 0.00 H new ATOM 149 N SER A 14 -5.875 -6.786 1.110 1.00 0.00 N ATOM 150 CA SER A 14 -5.962 -5.400 1.557 1.00 0.00 C ATOM 151 C SER A 14 -5.664 -5.291 3.049 1.00 0.00 C ATOM 152 O SER A 14 -5.740 -6.277 3.783 1.00 0.00 O ATOM 153 CB SER A 14 -7.350 -4.831 1.259 1.00 0.00 C ATOM 154 OG SER A 14 -8.329 -5.404 2.108 1.00 0.00 O ATOM 0 H SER A 14 -6.579 -7.404 1.514 1.00 0.00 H new ATOM 0 HA SER A 14 -5.216 -4.821 1.012 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.339 -3.749 1.390 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.609 -5.023 0.218 1.00 0.00 H new ATOM 0 HG SER A 14 -9.207 -5.023 1.899 1.00 0.00 H new ATOM 160 N VAL A 15 -5.326 -4.084 3.492 1.00 0.00 N ATOM 161 CA VAL A 15 -5.018 -3.844 4.897 1.00 0.00 C ATOM 162 C VAL A 15 -5.949 -2.794 5.492 1.00 0.00 C ATOM 163 O VAL A 15 -6.034 -1.672 4.993 1.00 0.00 O ATOM 164 CB VAL A 15 -3.559 -3.385 5.081 1.00 0.00 C ATOM 165 CG1 VAL A 15 -3.326 -2.906 6.506 1.00 0.00 C ATOM 166 CG2 VAL A 15 -2.598 -4.508 4.724 1.00 0.00 C ATOM 0 H VAL A 15 -5.259 -3.257 2.898 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.162 -4.790 5.419 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.372 -2.549 4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.290 -2.586 6.617 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.990 -2.069 6.722 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.531 -3.720 7.202 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.572 -4.166 4.860 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.783 -5.365 5.371 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.749 -4.799 3.684 1.00 0.00 H new ATOM 176 N GLU A 16 -6.645 -3.166 6.561 1.00 0.00 N ATOM 177 CA GLU A 16 -7.571 -2.255 7.224 1.00 0.00 C ATOM 178 C GLU A 16 -7.045 -1.849 8.598 1.00 0.00 C ATOM 179 O GLU A 16 -6.602 -2.691 9.380 1.00 0.00 O ATOM 180 CB GLU A 16 -8.948 -2.907 7.367 1.00 0.00 C ATOM 181 CG GLU A 16 -9.364 -3.722 6.154 1.00 0.00 C ATOM 182 CD GLU A 16 -10.846 -4.046 6.149 1.00 0.00 C ATOM 183 OE1 GLU A 16 -11.638 -3.201 6.615 1.00 0.00 O ATOM 184 OE2 GLU A 16 -11.212 -5.143 5.679 1.00 0.00 O ATOM 0 H GLU A 16 -6.586 -4.091 6.987 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.662 -1.360 6.609 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.945 -3.553 8.245 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.692 -2.130 7.545 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.113 -3.171 5.247 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.793 -4.650 6.131 1.00 0.00 H new ATOM 191 N LEU A 17 -7.095 -0.552 8.883 1.00 0.00 N ATOM 192 CA LEU A 17 -6.622 -0.032 10.162 1.00 0.00 C ATOM 193 C LEU A 17 -7.282 1.306 10.482 1.00 0.00 C ATOM 194 O LEU A 17 -7.726 2.022 9.585 1.00 0.00 O ATOM 195 CB LEU A 17 -5.101 0.129 10.139 1.00 0.00 C ATOM 196 CG LEU A 17 -4.299 -1.126 9.795 1.00 0.00 C ATOM 197 CD1 LEU A 17 -2.858 -0.766 9.470 1.00 0.00 C ATOM 198 CD2 LEU A 17 -4.355 -2.126 10.941 1.00 0.00 C ATOM 0 H LEU A 17 -7.458 0.158 8.247 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.893 -0.746 10.940 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.849 0.906 9.418 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.778 0.485 11.117 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.744 -1.588 8.914 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.302 -1.672 9.228 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.836 -0.088 8.617 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.401 -0.280 10.332 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.779 -3.013 10.678 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.935 -1.674 11.840 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.391 -2.409 11.127 1.00 0.00 H new ATOM 210 N VAL A 18 -7.341 1.638 11.768 1.00 0.00 N ATOM 211 CA VAL A 18 -7.942 2.891 12.207 1.00 0.00 C ATOM 212 C VAL A 18 -6.916 3.781 12.899 1.00 0.00 C ATOM 213 O VAL A 18 -6.389 3.432 13.956 1.00 0.00 O ATOM 214 CB VAL A 18 -9.120 2.642 13.168 1.00 0.00 C ATOM 215 CG1 VAL A 18 -9.686 3.960 13.673 1.00 0.00 C ATOM 216 CG2 VAL A 18 -10.199 1.816 12.484 1.00 0.00 C ATOM 0 H VAL A 18 -6.980 1.056 12.524 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.311 3.394 11.313 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.753 2.080 14.027 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.517 3.763 14.350 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.909 4.511 14.203 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.039 4.552 12.828 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.024 1.649 13.177 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.564 2.350 11.607 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.783 0.856 12.178 1.00 0.00 H new ATOM 226 N ARG A 19 -6.637 4.932 12.297 1.00 0.00 N ATOM 227 CA ARG A 19 -5.673 5.872 12.855 1.00 0.00 C ATOM 228 C ARG A 19 -5.717 5.856 14.380 1.00 0.00 C ATOM 229 O ARG A 19 -6.790 5.801 14.979 1.00 0.00 O ATOM 230 CB ARG A 19 -5.951 7.286 12.341 1.00 0.00 C ATOM 231 CG ARG A 19 -5.189 7.634 11.073 1.00 0.00 C ATOM 232 CD ARG A 19 -5.967 8.611 10.205 1.00 0.00 C ATOM 233 NE ARG A 19 -5.867 9.982 10.700 1.00 0.00 N ATOM 234 CZ ARG A 19 -6.734 10.940 10.391 1.00 0.00 C ATOM 235 NH1 ARG A 19 -7.761 10.677 9.594 1.00 0.00 N ATOM 236 NH2 ARG A 19 -6.576 12.163 10.880 1.00 0.00 N ATOM 0 H ARG A 19 -7.065 5.236 11.423 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.677 5.565 12.534 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.019 7.392 12.153 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.692 8.004 13.119 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.224 8.067 11.335 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.987 6.724 10.507 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.591 8.566 9.183 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.015 8.313 10.173 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.089 10.216 11.317 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.886 9.738 9.217 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.425 11.414 9.358 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.788 12.369 11.494 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.242 12.898 10.642 1.00 0.00 H new ATOM 250 N GLY A 20 -4.543 5.904 15.002 1.00 0.00 N ATOM 251 CA GLY A 20 -4.470 5.893 16.451 1.00 0.00 C ATOM 252 C GLY A 20 -3.700 7.077 17.002 1.00 0.00 C ATOM 253 O GLY A 20 -4.287 8.104 17.343 1.00 0.00 O ATOM 0 H GLY A 20 -3.641 5.950 14.528 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.479 5.897 16.863 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.995 4.969 16.781 1.00 0.00 H new ATOM 257 N TYR A 21 -2.382 6.934 17.091 1.00 0.00 N ATOM 258 CA TYR A 21 -1.531 7.998 17.608 1.00 0.00 C ATOM 259 C TYR A 21 -1.157 8.982 16.504 1.00 0.00 C ATOM 260 O TYR A 21 -0.060 8.922 15.949 1.00 0.00 O ATOM 261 CB TYR A 21 -0.265 7.409 18.233 1.00 0.00 C ATOM 262 CG TYR A 21 0.382 8.313 19.257 1.00 0.00 C ATOM 263 CD1 TYR A 21 1.145 9.406 18.865 1.00 0.00 C ATOM 264 CD2 TYR A 21 0.229 8.075 20.618 1.00 0.00 C ATOM 265 CE1 TYR A 21 1.739 10.235 19.798 1.00 0.00 C ATOM 266 CE2 TYR A 21 0.818 8.899 21.558 1.00 0.00 C ATOM 267 CZ TYR A 21 1.572 9.977 21.143 1.00 0.00 C ATOM 268 OH TYR A 21 2.160 10.800 22.075 1.00 0.00 O ATOM 0 H TYR A 21 -1.880 6.091 16.812 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.090 8.536 18.374 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.512 6.458 18.705 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.455 7.196 17.443 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.276 9.611 17.813 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.360 7.232 20.946 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.330 11.080 19.476 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.689 8.700 22.612 1.00 0.00 H new ATOM 0 HH TYR A 21 1.944 10.481 22.976 1.00 0.00 H new ATOM 278 N ALA A 22 -2.077 9.888 16.191 1.00 0.00 N ATOM 279 CA ALA A 22 -1.845 10.887 15.156 1.00 0.00 C ATOM 280 C ALA A 22 -1.188 10.264 13.929 1.00 0.00 C ATOM 281 O ALA A 22 -0.198 10.780 13.413 1.00 0.00 O ATOM 282 CB ALA A 22 -0.986 12.020 15.698 1.00 0.00 C ATOM 0 H ALA A 22 -2.991 9.951 16.640 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.811 11.291 14.853 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.821 12.759 14.914 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.494 12.491 16.539 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.027 11.623 16.030 1.00 0.00 H new ATOM 288 N GLY A 23 -1.747 9.149 13.466 1.00 0.00 N ATOM 289 CA GLY A 23 -1.201 8.473 12.304 1.00 0.00 C ATOM 290 C GLY A 23 -1.268 6.964 12.426 1.00 0.00 C ATOM 291 O GLY A 23 -1.877 6.436 13.357 1.00 0.00 O ATOM 0 H GLY A 23 -2.568 8.703 13.875 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.748 8.787 11.415 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.164 8.777 12.165 1.00 0.00 H new ATOM 295 N PHE A 24 -0.640 6.267 11.485 1.00 0.00 N ATOM 296 CA PHE A 24 -0.633 4.809 11.490 1.00 0.00 C ATOM 297 C PHE A 24 0.729 4.273 11.922 1.00 0.00 C ATOM 298 O PHE A 24 0.892 3.076 12.155 1.00 0.00 O ATOM 299 CB PHE A 24 -0.988 4.271 10.102 1.00 0.00 C ATOM 300 CG PHE A 24 -2.423 4.498 9.720 1.00 0.00 C ATOM 301 CD1 PHE A 24 -3.435 3.753 10.304 1.00 0.00 C ATOM 302 CD2 PHE A 24 -2.760 5.456 8.778 1.00 0.00 C ATOM 303 CE1 PHE A 24 -4.757 3.959 9.955 1.00 0.00 C ATOM 304 CE2 PHE A 24 -4.079 5.668 8.426 1.00 0.00 C ATOM 305 CZ PHE A 24 -5.079 4.917 9.014 1.00 0.00 C ATOM 0 H PHE A 24 -0.129 6.688 10.709 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.381 4.470 12.206 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.344 4.745 9.362 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.777 3.202 10.070 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.188 3.003 11.040 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.982 6.044 8.313 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.536 3.372 10.418 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.328 6.420 7.692 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.111 5.079 8.738 1.00 0.00 H new ATOM 315 N GLY A 25 1.705 5.170 12.025 1.00 0.00 N ATOM 316 CA GLY A 25 3.041 4.769 12.428 1.00 0.00 C ATOM 317 C GLY A 25 3.699 3.850 11.419 1.00 0.00 C ATOM 318 O GLY A 25 4.607 3.090 11.760 1.00 0.00 O ATOM 0 H GLY A 25 1.595 6.166 11.837 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.658 5.657 12.563 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.990 4.266 13.394 1.00 0.00 H new ATOM 322 N LEU A 26 3.241 3.916 10.173 1.00 0.00 N ATOM 323 CA LEU A 26 3.791 3.081 9.111 1.00 0.00 C ATOM 324 C LEU A 26 4.577 3.922 8.109 1.00 0.00 C ATOM 325 O LEU A 26 4.042 4.857 7.511 1.00 0.00 O ATOM 326 CB LEU A 26 2.668 2.330 8.393 1.00 0.00 C ATOM 327 CG LEU A 26 3.104 1.177 7.488 1.00 0.00 C ATOM 328 CD1 LEU A 26 3.830 0.111 8.293 1.00 0.00 C ATOM 329 CD2 LEU A 26 1.903 0.580 6.769 1.00 0.00 C ATOM 0 H LEU A 26 2.491 4.539 9.874 1.00 0.00 H new ATOM 0 HA LEU A 26 4.471 2.360 9.565 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.983 1.937 9.144 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.106 3.045 7.792 1.00 0.00 H new ATOM 0 HG LEU A 26 3.793 1.569 6.739 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.132 -0.701 7.632 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.713 0.547 8.760 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.166 -0.278 9.065 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.232 -0.239 6.129 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.190 0.204 7.502 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.426 1.347 6.159 1.00 0.00 H new ATOM 341 N THR A 27 5.849 3.582 7.929 1.00 0.00 N ATOM 342 CA THR A 27 6.709 4.304 6.999 1.00 0.00 C ATOM 343 C THR A 27 7.090 3.430 5.810 1.00 0.00 C ATOM 344 O THR A 27 7.208 2.210 5.936 1.00 0.00 O ATOM 345 CB THR A 27 7.993 4.800 7.690 1.00 0.00 C ATOM 346 OG1 THR A 27 7.659 5.651 8.792 1.00 0.00 O ATOM 347 CG2 THR A 27 8.878 5.554 6.710 1.00 0.00 C ATOM 0 H THR A 27 6.307 2.811 8.415 1.00 0.00 H new ATOM 0 HA THR A 27 6.140 5.164 6.646 1.00 0.00 H new ATOM 0 HB THR A 27 8.541 3.932 8.056 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.481 5.961 9.227 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.779 5.895 7.221 1.00 0.00 H new ATOM 0 HG22 THR A 27 9.155 4.894 5.888 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.336 6.415 6.318 1.00 0.00 H new ATOM 355 N LEU A 28 7.281 4.059 4.656 1.00 0.00 N ATOM 356 CA LEU A 28 7.651 3.338 3.443 1.00 0.00 C ATOM 357 C LEU A 28 9.083 3.663 3.031 1.00 0.00 C ATOM 358 O LEU A 28 9.460 4.829 2.925 1.00 0.00 O ATOM 359 CB LEU A 28 6.689 3.687 2.306 1.00 0.00 C ATOM 360 CG LEU A 28 5.441 2.811 2.189 1.00 0.00 C ATOM 361 CD1 LEU A 28 4.392 3.489 1.322 1.00 0.00 C ATOM 362 CD2 LEU A 28 5.800 1.444 1.624 1.00 0.00 C ATOM 0 H LEU A 28 7.186 5.067 4.534 1.00 0.00 H new ATOM 0 HA LEU A 28 7.587 2.270 3.651 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.371 4.722 2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.236 3.633 1.365 1.00 0.00 H new ATOM 0 HG LEU A 28 5.024 2.672 3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.511 2.851 1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.113 4.444 1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.799 3.659 0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.900 0.834 1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.242 1.564 0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.516 0.954 2.284 1.00 0.00 H new ATOM 374 N GLY A 29 9.877 2.622 2.798 1.00 0.00 N ATOM 375 CA GLY A 29 11.258 2.818 2.398 1.00 0.00 C ATOM 376 C GLY A 29 11.478 2.549 0.923 1.00 0.00 C ATOM 377 O GLY A 29 11.303 1.424 0.457 1.00 0.00 O ATOM 0 H GLY A 29 9.588 1.647 2.879 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.557 3.841 2.626 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.900 2.160 2.984 1.00 0.00 H new ATOM 381 N GLY A 30 11.861 3.586 0.184 1.00 0.00 N ATOM 382 CA GLY A 30 12.097 3.436 -1.240 1.00 0.00 C ATOM 383 C GLY A 30 10.989 4.043 -2.078 1.00 0.00 C ATOM 384 O GLY A 30 10.622 5.202 -1.889 1.00 0.00 O ATOM 0 H GLY A 30 12.012 4.527 0.546 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.045 3.907 -1.500 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.191 2.377 -1.480 1.00 0.00 H new ATOM 388 N GLY A 31 10.455 3.259 -3.009 1.00 0.00 N ATOM 389 CA GLY A 31 9.390 3.744 -3.867 1.00 0.00 C ATOM 390 C GLY A 31 9.914 4.376 -5.141 1.00 0.00 C ATOM 391 O GLY A 31 11.123 4.521 -5.318 1.00 0.00 O ATOM 0 H GLY A 31 10.741 2.296 -3.185 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.727 2.917 -4.121 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.793 4.475 -3.322 1.00 0.00 H new ATOM 395 N ARG A 32 9.001 4.753 -6.031 1.00 0.00 N ATOM 396 CA ARG A 32 9.378 5.370 -7.297 1.00 0.00 C ATOM 397 C ARG A 32 9.827 6.813 -7.085 1.00 0.00 C ATOM 398 O ARG A 32 9.010 7.697 -6.827 1.00 0.00 O ATOM 399 CB ARG A 32 8.206 5.328 -8.278 1.00 0.00 C ATOM 400 CG ARG A 32 8.556 5.834 -9.668 1.00 0.00 C ATOM 401 CD ARG A 32 9.378 4.815 -10.441 1.00 0.00 C ATOM 402 NE ARG A 32 8.565 3.694 -10.905 1.00 0.00 N ATOM 403 CZ ARG A 32 7.853 3.717 -12.026 1.00 0.00 C ATOM 404 NH1 ARG A 32 7.854 4.798 -12.794 1.00 0.00 N ATOM 405 NH2 ARG A 32 7.137 2.657 -12.381 1.00 0.00 N ATOM 0 H ARG A 32 7.996 4.642 -5.899 1.00 0.00 H new ATOM 0 HA ARG A 32 10.212 4.805 -7.714 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.844 4.303 -8.354 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.387 5.926 -7.878 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.641 6.056 -10.217 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.114 6.767 -9.587 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.847 5.301 -11.297 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.182 4.442 -9.807 1.00 0.00 H new ATOM 0 HE ARG A 32 8.543 2.847 -10.337 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.403 5.615 -12.524 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.306 4.813 -13.654 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.133 1.824 -11.793 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.591 2.676 -13.242 1.00 0.00 H new ATOM 419 N ASP A 33 11.131 7.044 -7.196 1.00 0.00 N ATOM 420 CA ASP A 33 11.689 8.379 -7.018 1.00 0.00 C ATOM 421 C ASP A 33 12.356 8.865 -8.300 1.00 0.00 C ATOM 422 O ASP A 33 12.744 8.065 -9.153 1.00 0.00 O ATOM 423 CB ASP A 33 12.699 8.384 -5.869 1.00 0.00 C ATOM 424 CG ASP A 33 12.188 7.647 -4.646 1.00 0.00 C ATOM 425 OD1 ASP A 33 11.305 8.191 -3.952 1.00 0.00 O ATOM 426 OD2 ASP A 33 12.673 6.526 -4.384 1.00 0.00 O ATOM 0 H ASP A 33 11.821 6.324 -7.408 1.00 0.00 H new ATOM 0 HA ASP A 33 10.871 9.058 -6.776 1.00 0.00 H new ATOM 0 HB2 ASP A 33 13.629 7.925 -6.204 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.932 9.414 -5.598 1.00 0.00 H new ATOM 431 N VAL A 34 12.487 10.181 -8.432 1.00 0.00 N ATOM 432 CA VAL A 34 13.108 10.774 -9.610 1.00 0.00 C ATOM 433 C VAL A 34 14.556 10.319 -9.756 1.00 0.00 C ATOM 434 O VAL A 34 15.038 10.096 -10.866 1.00 0.00 O ATOM 435 CB VAL A 34 13.068 12.313 -9.552 1.00 0.00 C ATOM 436 CG1 VAL A 34 13.779 12.819 -8.306 1.00 0.00 C ATOM 437 CG2 VAL A 34 13.685 12.909 -10.808 1.00 0.00 C ATOM 0 H VAL A 34 12.171 10.857 -7.737 1.00 0.00 H new ATOM 0 HA VAL A 34 12.535 10.436 -10.473 1.00 0.00 H new ATOM 0 HB VAL A 34 12.027 12.631 -9.501 1.00 0.00 H new ATOM 0 HG11 VAL A 34 13.741 13.908 -8.282 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.288 12.419 -7.419 1.00 0.00 H new ATOM 0 HG13 VAL A 34 14.819 12.493 -8.323 1.00 0.00 H new ATOM 0 HG21 VAL A 34 13.648 13.997 -10.750 1.00 0.00 H new ATOM 0 HG22 VAL A 34 14.722 12.585 -10.893 1.00 0.00 H new ATOM 0 HG23 VAL A 34 13.127 12.573 -11.682 1.00 0.00 H new ATOM 447 N ALA A 35 15.244 10.184 -8.628 1.00 0.00 N ATOM 448 CA ALA A 35 16.637 9.753 -8.629 1.00 0.00 C ATOM 449 C ALA A 35 16.792 8.392 -7.959 1.00 0.00 C ATOM 450 O ALA A 35 17.844 8.079 -7.404 1.00 0.00 O ATOM 451 CB ALA A 35 17.510 10.788 -7.935 1.00 0.00 C ATOM 0 H ALA A 35 14.860 10.367 -7.701 1.00 0.00 H new ATOM 0 HA ALA A 35 16.961 9.657 -9.665 1.00 0.00 H new ATOM 0 HB1 ALA A 35 18.547 10.453 -7.943 1.00 0.00 H new ATOM 0 HB2 ALA A 35 17.432 11.740 -8.459 1.00 0.00 H new ATOM 0 HB3 ALA A 35 17.177 10.913 -6.905 1.00 0.00 H new ATOM 457 N GLY A 36 15.735 7.587 -8.014 1.00 0.00 N ATOM 458 CA GLY A 36 15.774 6.269 -7.408 1.00 0.00 C ATOM 459 C GLY A 36 14.449 5.541 -7.517 1.00 0.00 C ATOM 460 O GLY A 36 13.542 5.765 -6.716 1.00 0.00 O ATOM 0 H GLY A 36 14.853 7.824 -8.467 1.00 0.00 H new ATOM 0 HA2 GLY A 36 16.552 5.675 -7.888 1.00 0.00 H new ATOM 0 HA3 GLY A 36 16.048 6.364 -6.357 1.00 0.00 H new ATOM 464 N ASP A 37 14.336 4.668 -8.512 1.00 0.00 N ATOM 465 CA ASP A 37 13.112 3.905 -8.725 1.00 0.00 C ATOM 466 C ASP A 37 13.156 2.584 -7.963 1.00 0.00 C ATOM 467 O ASP A 37 14.015 1.738 -8.214 1.00 0.00 O ATOM 468 CB ASP A 37 12.902 3.641 -10.216 1.00 0.00 C ATOM 469 CG ASP A 37 13.917 2.666 -10.780 1.00 0.00 C ATOM 470 OD1 ASP A 37 15.130 2.900 -10.598 1.00 0.00 O ATOM 471 OD2 ASP A 37 13.498 1.667 -11.402 1.00 0.00 O ATOM 0 H ASP A 37 15.078 4.471 -9.184 1.00 0.00 H new ATOM 0 HA ASP A 37 12.276 4.494 -8.348 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.898 3.248 -10.374 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.965 4.583 -10.761 1.00 0.00 H new ATOM 476 N THR A 38 12.225 2.413 -7.030 1.00 0.00 N ATOM 477 CA THR A 38 12.158 1.197 -6.229 1.00 0.00 C ATOM 478 C THR A 38 10.722 0.879 -5.830 1.00 0.00 C ATOM 479 O THR A 38 9.896 1.770 -5.632 1.00 0.00 O ATOM 480 CB THR A 38 13.019 1.314 -4.957 1.00 0.00 C ATOM 481 OG1 THR A 38 12.799 2.583 -4.332 1.00 0.00 O ATOM 482 CG2 THR A 38 14.496 1.154 -5.286 1.00 0.00 C ATOM 0 H THR A 38 11.506 3.102 -6.810 1.00 0.00 H new ATOM 0 HA THR A 38 12.547 0.389 -6.849 1.00 0.00 H new ATOM 0 HB THR A 38 12.727 0.517 -4.273 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.128 3.086 -4.840 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.084 1.240 -4.372 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.665 0.175 -5.735 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.799 1.932 -5.987 1.00 0.00 H new ATOM 490 N PRO A 39 10.415 -0.421 -5.708 1.00 0.00 N ATOM 491 CA PRO A 39 9.077 -0.886 -5.329 1.00 0.00 C ATOM 492 C PRO A 39 8.743 -0.570 -3.876 1.00 0.00 C ATOM 493 O PRO A 39 9.380 -1.084 -2.955 1.00 0.00 O ATOM 494 CB PRO A 39 9.155 -2.400 -5.543 1.00 0.00 C ATOM 495 CG PRO A 39 10.601 -2.729 -5.402 1.00 0.00 C ATOM 496 CD PRO A 39 11.350 -1.537 -5.929 1.00 0.00 C ATOM 0 HA PRO A 39 8.296 -0.398 -5.912 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.554 -2.935 -4.808 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.779 -2.681 -6.527 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.858 -2.922 -4.360 1.00 0.00 H new ATOM 0 HG3 PRO A 39 10.853 -3.628 -5.964 1.00 0.00 H new ATOM 0 HD2 PRO A 39 12.289 -1.385 -5.397 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.596 -1.652 -6.985 1.00 0.00 H new ATOM 504 N LEU A 40 7.740 0.278 -3.675 1.00 0.00 N ATOM 505 CA LEU A 40 7.321 0.663 -2.332 1.00 0.00 C ATOM 506 C LEU A 40 7.125 -0.565 -1.450 1.00 0.00 C ATOM 507 O LEU A 40 6.389 -1.486 -1.804 1.00 0.00 O ATOM 508 CB LEU A 40 6.024 1.472 -2.394 1.00 0.00 C ATOM 509 CG LEU A 40 6.183 2.984 -2.561 1.00 0.00 C ATOM 510 CD1 LEU A 40 4.831 3.642 -2.785 1.00 0.00 C ATOM 511 CD2 LEU A 40 6.877 3.585 -1.347 1.00 0.00 C ATOM 0 H LEU A 40 7.202 0.712 -4.425 1.00 0.00 H new ATOM 0 HA LEU A 40 8.107 1.280 -1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.424 1.096 -3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.459 1.285 -1.481 1.00 0.00 H new ATOM 0 HG LEU A 40 6.803 3.170 -3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.965 4.717 -2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.372 3.234 -3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.185 3.447 -1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.982 4.661 -1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.283 3.388 -0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.864 3.136 -1.233 1.00 0.00 H new ATOM 523 N ALA A 41 7.788 -0.572 -0.298 1.00 0.00 N ATOM 524 CA ALA A 41 7.684 -1.685 0.637 1.00 0.00 C ATOM 525 C ALA A 41 7.867 -1.213 2.076 1.00 0.00 C ATOM 526 O ALA A 41 8.808 -0.482 2.385 1.00 0.00 O ATOM 527 CB ALA A 41 8.709 -2.757 0.298 1.00 0.00 C ATOM 0 H ALA A 41 8.403 0.181 0.010 1.00 0.00 H new ATOM 0 HA ALA A 41 6.685 -2.111 0.546 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.620 -3.582 1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.531 -3.124 -0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.712 -2.334 0.359 1.00 0.00 H new ATOM 533 N VAL A 42 6.960 -1.633 2.952 1.00 0.00 N ATOM 534 CA VAL A 42 7.021 -1.254 4.358 1.00 0.00 C ATOM 535 C VAL A 42 8.465 -1.156 4.838 1.00 0.00 C ATOM 536 O VAL A 42 9.265 -2.066 4.621 1.00 0.00 O ATOM 537 CB VAL A 42 6.264 -2.260 5.245 1.00 0.00 C ATOM 538 CG1 VAL A 42 6.523 -1.975 6.716 1.00 0.00 C ATOM 539 CG2 VAL A 42 4.774 -2.222 4.940 1.00 0.00 C ATOM 0 H VAL A 42 6.173 -2.237 2.712 1.00 0.00 H new ATOM 0 HA VAL A 42 6.545 -0.277 4.443 1.00 0.00 H new ATOM 0 HB VAL A 42 6.632 -3.262 5.024 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.980 -2.696 7.327 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.591 -2.057 6.920 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.184 -0.967 6.956 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.254 -2.939 5.576 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.389 -1.221 5.132 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.610 -2.479 3.894 1.00 0.00 H new ATOM 549 N ARG A 43 8.791 -0.046 5.493 1.00 0.00 N ATOM 550 CA ARG A 43 10.139 0.171 6.004 1.00 0.00 C ATOM 551 C ARG A 43 10.199 -0.085 7.507 1.00 0.00 C ATOM 552 O ARG A 43 10.772 -1.077 7.955 1.00 0.00 O ATOM 553 CB ARG A 43 10.599 1.599 5.700 1.00 0.00 C ATOM 554 CG ARG A 43 11.870 1.998 6.432 1.00 0.00 C ATOM 555 CD ARG A 43 12.826 0.823 6.569 1.00 0.00 C ATOM 556 NE ARG A 43 14.214 1.259 6.695 1.00 0.00 N ATOM 557 CZ ARG A 43 14.894 1.838 5.712 1.00 0.00 C ATOM 558 NH1 ARG A 43 14.317 2.051 4.537 1.00 0.00 N ATOM 559 NH2 ARG A 43 16.154 2.207 5.903 1.00 0.00 N ATOM 0 H ARG A 43 8.140 0.716 5.682 1.00 0.00 H new ATOM 0 HA ARG A 43 10.807 -0.532 5.506 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.761 1.699 4.627 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.802 2.293 5.968 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.362 2.808 5.894 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.617 2.380 7.421 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.551 0.232 7.442 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.728 0.172 5.700 1.00 0.00 H new ATOM 0 HE ARG A 43 14.687 1.111 7.586 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.348 1.770 4.386 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.842 2.496 3.784 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.601 2.046 6.805 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.675 2.652 5.147 1.00 0.00 H new ATOM 573 N GLY A 44 9.604 0.818 8.280 1.00 0.00 N ATOM 574 CA GLY A 44 9.601 0.672 9.724 1.00 0.00 C ATOM 575 C GLY A 44 8.200 0.574 10.294 1.00 0.00 C ATOM 576 O GLY A 44 7.234 1.009 9.666 1.00 0.00 O ATOM 0 H GLY A 44 9.124 1.648 7.932 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.164 -0.220 9.997 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.114 1.522 10.173 1.00 0.00 H new ATOM 580 N LEU A 45 8.088 -0.001 11.487 1.00 0.00 N ATOM 581 CA LEU A 45 6.794 -0.156 12.142 1.00 0.00 C ATOM 582 C LEU A 45 6.789 0.524 13.507 1.00 0.00 C ATOM 583 O LEU A 45 7.359 0.010 14.471 1.00 0.00 O ATOM 584 CB LEU A 45 6.454 -1.640 12.298 1.00 0.00 C ATOM 585 CG LEU A 45 5.969 -2.353 11.035 1.00 0.00 C ATOM 586 CD1 LEU A 45 5.949 -3.859 11.247 1.00 0.00 C ATOM 587 CD2 LEU A 45 4.589 -1.851 10.635 1.00 0.00 C ATOM 0 H LEU A 45 8.877 -0.367 12.020 1.00 0.00 H new ATOM 0 HA LEU A 45 6.039 0.320 11.517 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.339 -2.158 12.667 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.685 -1.738 13.064 1.00 0.00 H new ATOM 0 HG LEU A 45 6.664 -2.129 10.225 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.601 -4.350 10.338 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.954 -4.206 11.485 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.277 -4.102 12.070 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.260 -2.369 9.734 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.883 -2.044 11.443 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.634 -0.779 10.441 1.00 0.00 H new ATOM 599 N LEU A 46 6.141 1.681 13.584 1.00 0.00 N ATOM 600 CA LEU A 46 6.060 2.432 14.832 1.00 0.00 C ATOM 601 C LEU A 46 5.522 1.556 15.959 1.00 0.00 C ATOM 602 O LEU A 46 4.530 0.848 15.791 1.00 0.00 O ATOM 603 CB LEU A 46 5.166 3.660 14.654 1.00 0.00 C ATOM 604 CG LEU A 46 5.443 4.834 15.594 1.00 0.00 C ATOM 605 CD1 LEU A 46 6.609 5.664 15.082 1.00 0.00 C ATOM 606 CD2 LEU A 46 4.199 5.697 15.751 1.00 0.00 C ATOM 0 H LEU A 46 5.664 2.120 12.797 1.00 0.00 H new ATOM 0 HA LEU A 46 7.065 2.758 15.098 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.266 4.011 13.627 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.129 3.352 14.786 1.00 0.00 H new ATOM 0 HG LEU A 46 5.710 4.436 16.573 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.791 6.495 15.764 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.501 5.041 15.023 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.372 6.053 14.092 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.415 6.527 16.423 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.901 6.086 14.777 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.389 5.096 16.165 1.00 0.00 H new ATOM 618 N LYS A 47 6.183 1.612 17.111 1.00 0.00 N ATOM 619 CA LYS A 47 5.771 0.827 18.269 1.00 0.00 C ATOM 620 C LYS A 47 4.413 1.291 18.785 1.00 0.00 C ATOM 621 O LYS A 47 3.997 2.422 18.534 1.00 0.00 O ATOM 622 CB LYS A 47 6.816 0.936 19.382 1.00 0.00 C ATOM 623 CG LYS A 47 6.552 0.008 20.556 1.00 0.00 C ATOM 624 CD LYS A 47 6.515 -1.447 20.119 1.00 0.00 C ATOM 625 CE LYS A 47 7.821 -1.865 19.461 1.00 0.00 C ATOM 626 NZ LYS A 47 8.064 -3.328 19.592 1.00 0.00 N ATOM 0 H LYS A 47 7.007 2.193 17.267 1.00 0.00 H new ATOM 0 HA LYS A 47 5.686 -0.215 17.959 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.800 0.714 18.968 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.846 1.964 19.742 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.328 0.143 21.309 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.604 0.273 21.024 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.322 -2.083 20.983 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.691 -1.598 19.422 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.799 -1.593 18.406 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.648 -1.317 19.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.963 -3.573 19.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.110 -3.583 20.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.288 -3.851 19.138 1.00 0.00 H new ATOM 640 N ASP A 48 3.727 0.411 19.506 1.00 0.00 N ATOM 641 CA ASP A 48 2.417 0.732 20.059 1.00 0.00 C ATOM 642 C ASP A 48 1.516 1.355 18.998 1.00 0.00 C ATOM 643 O ASP A 48 0.650 2.173 19.306 1.00 0.00 O ATOM 644 CB ASP A 48 2.560 1.684 21.248 1.00 0.00 C ATOM 645 CG ASP A 48 2.963 3.083 20.823 1.00 0.00 C ATOM 646 OD1 ASP A 48 2.077 3.852 20.397 1.00 0.00 O ATOM 647 OD2 ASP A 48 4.165 3.408 20.919 1.00 0.00 O ATOM 0 H ASP A 48 4.057 -0.530 19.721 1.00 0.00 H new ATOM 0 HA ASP A 48 1.958 -0.196 20.400 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.615 1.730 21.789 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.304 1.289 21.939 1.00 0.00 H new ATOM 652 N GLY A 49 1.728 0.964 17.745 1.00 0.00 N ATOM 653 CA GLY A 49 0.929 1.495 16.656 1.00 0.00 C ATOM 654 C GLY A 49 -0.136 0.522 16.190 1.00 0.00 C ATOM 655 O GLY A 49 -0.094 -0.670 16.494 1.00 0.00 O ATOM 0 H GLY A 49 2.439 0.289 17.465 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.454 2.422 16.976 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.581 1.744 15.819 1.00 0.00 H new ATOM 659 N PRO A 50 -1.120 1.033 15.435 1.00 0.00 N ATOM 660 CA PRO A 50 -2.220 0.218 14.912 1.00 0.00 C ATOM 661 C PRO A 50 -1.759 -0.751 13.828 1.00 0.00 C ATOM 662 O PRO A 50 -2.372 -1.797 13.617 1.00 0.00 O ATOM 663 CB PRO A 50 -3.183 1.255 14.327 1.00 0.00 C ATOM 664 CG PRO A 50 -2.323 2.426 13.998 1.00 0.00 C ATOM 665 CD PRO A 50 -1.235 2.445 15.034 1.00 0.00 C ATOM 0 HA PRO A 50 -2.665 -0.410 15.684 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.686 0.872 13.440 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.960 1.523 15.043 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.905 2.334 12.995 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.899 3.351 14.020 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.298 2.824 14.626 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.496 3.083 15.879 1.00 0.00 H new ATOM 673 N ALA A 51 -0.676 -0.396 13.145 1.00 0.00 N ATOM 674 CA ALA A 51 -0.132 -1.236 12.085 1.00 0.00 C ATOM 675 C ALA A 51 0.800 -2.301 12.653 1.00 0.00 C ATOM 676 O ALA A 51 0.877 -3.412 12.131 1.00 0.00 O ATOM 677 CB ALA A 51 0.601 -0.383 11.060 1.00 0.00 C ATOM 0 H ALA A 51 -0.158 0.468 13.307 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.963 -1.742 11.593 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.002 -1.023 10.274 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.092 0.337 10.624 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.418 0.149 11.547 1.00 0.00 H new ATOM 683 N GLN A 52 1.506 -1.953 13.724 1.00 0.00 N ATOM 684 CA GLN A 52 2.434 -2.880 14.361 1.00 0.00 C ATOM 685 C GLN A 52 1.701 -3.810 15.322 1.00 0.00 C ATOM 686 O GLN A 52 2.156 -4.921 15.593 1.00 0.00 O ATOM 687 CB GLN A 52 3.524 -2.110 15.110 1.00 0.00 C ATOM 688 CG GLN A 52 4.415 -2.995 15.966 1.00 0.00 C ATOM 689 CD GLN A 52 5.311 -3.895 15.139 1.00 0.00 C ATOM 690 OE1 GLN A 52 4.833 -4.740 14.382 1.00 0.00 O ATOM 691 NE2 GLN A 52 6.620 -3.719 15.280 1.00 0.00 N ATOM 0 H GLN A 52 1.453 -1.037 14.169 1.00 0.00 H new ATOM 0 HA GLN A 52 2.897 -3.485 13.581 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.142 -1.577 14.388 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.055 -1.358 15.745 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.031 -2.368 16.611 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.793 -3.608 16.618 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.973 -3.007 15.919 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.272 -4.296 14.749 1.00 0.00 H new ATOM 700 N ARG A 53 0.564 -3.349 15.833 1.00 0.00 N ATOM 701 CA ARG A 53 -0.231 -4.139 16.765 1.00 0.00 C ATOM 702 C ARG A 53 -1.116 -5.132 16.017 1.00 0.00 C ATOM 703 O ARG A 53 -1.176 -6.311 16.368 1.00 0.00 O ATOM 704 CB ARG A 53 -1.095 -3.224 17.635 1.00 0.00 C ATOM 705 CG ARG A 53 -0.364 -2.668 18.846 1.00 0.00 C ATOM 706 CD ARG A 53 -1.318 -1.961 19.796 1.00 0.00 C ATOM 707 NE ARG A 53 -0.670 -1.598 21.053 1.00 0.00 N ATOM 708 CZ ARG A 53 -1.329 -1.397 22.189 1.00 0.00 C ATOM 709 NH1 ARG A 53 -2.648 -1.523 22.225 1.00 0.00 N ATOM 710 NH2 ARG A 53 -0.668 -1.070 23.292 1.00 0.00 N ATOM 0 H ARG A 53 0.173 -2.432 15.617 1.00 0.00 H new ATOM 0 HA ARG A 53 0.453 -4.697 17.405 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.457 -2.395 17.027 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.971 -3.778 17.973 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.141 -3.479 19.372 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.408 -1.971 18.518 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.708 -1.063 19.317 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.171 -2.608 20.001 1.00 0.00 H new ATOM 0 HE ARG A 53 0.345 -1.493 21.059 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.160 -1.775 21.379 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.151 -1.368 23.098 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.347 -0.973 23.268 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.175 -0.916 24.164 1.00 0.00 H new ATOM 724 N CYS A 54 -1.802 -4.647 14.988 1.00 0.00 N ATOM 725 CA CYS A 54 -2.685 -5.491 14.191 1.00 0.00 C ATOM 726 C CYS A 54 -1.939 -6.712 13.663 1.00 0.00 C ATOM 727 O CYS A 54 -2.526 -7.776 13.470 1.00 0.00 O ATOM 728 CB CYS A 54 -3.274 -4.694 13.027 1.00 0.00 C ATOM 729 SG CYS A 54 -2.047 -4.132 11.823 1.00 0.00 S ATOM 0 H CYS A 54 -1.764 -3.673 14.686 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.496 -5.834 14.833 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.013 -5.310 12.516 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.802 -3.827 13.424 1.00 0.00 H new ATOM 0 HG CYS A 54 -0.873 -4.106 12.380 1.00 0.00 H new ATOM 735 N GLY A 55 -0.640 -6.550 13.428 1.00 0.00 N ATOM 736 CA GLY A 55 0.164 -7.647 12.922 1.00 0.00 C ATOM 737 C GLY A 55 -0.284 -8.110 11.550 1.00 0.00 C ATOM 738 O GLY A 55 -0.576 -9.289 11.350 1.00 0.00 O ATOM 0 H GLY A 55 -0.131 -5.679 13.579 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.208 -7.336 12.874 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.112 -8.483 13.619 1.00 0.00 H new ATOM 742 N ARG A 56 -0.340 -7.179 10.603 1.00 0.00 N ATOM 743 CA ARG A 56 -0.760 -7.498 9.243 1.00 0.00 C ATOM 744 C ARG A 56 0.298 -7.063 8.232 1.00 0.00 C ATOM 745 O ARG A 56 0.585 -7.779 7.271 1.00 0.00 O ATOM 746 CB ARG A 56 -2.093 -6.819 8.925 1.00 0.00 C ATOM 747 CG ARG A 56 -3.189 -7.130 9.932 1.00 0.00 C ATOM 748 CD ARG A 56 -4.541 -6.616 9.460 1.00 0.00 C ATOM 749 NE ARG A 56 -5.615 -6.975 10.382 1.00 0.00 N ATOM 750 CZ ARG A 56 -6.177 -8.177 10.422 1.00 0.00 C ATOM 751 NH1 ARG A 56 -5.769 -9.132 9.598 1.00 0.00 N ATOM 752 NH2 ARG A 56 -7.150 -8.427 11.290 1.00 0.00 N ATOM 0 H ARG A 56 -0.100 -6.199 10.752 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.885 -8.579 9.172 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.942 -5.740 8.886 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.423 -7.130 7.934 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.243 -8.207 10.091 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.941 -6.678 10.892 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.500 -5.532 9.355 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.759 -7.023 8.473 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.952 -6.263 11.031 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.021 -8.944 8.930 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.203 -10.054 9.632 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.466 -7.695 11.927 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.582 -9.351 11.320 1.00 0.00 H new ATOM 766 N LEU A 57 0.874 -5.887 8.455 1.00 0.00 N ATOM 767 CA LEU A 57 1.899 -5.356 7.564 1.00 0.00 C ATOM 768 C LEU A 57 3.287 -5.512 8.177 1.00 0.00 C ATOM 769 O LEU A 57 3.586 -4.926 9.217 1.00 0.00 O ATOM 770 CB LEU A 57 1.626 -3.882 7.261 1.00 0.00 C ATOM 771 CG LEU A 57 0.747 -3.599 6.042 1.00 0.00 C ATOM 772 CD1 LEU A 57 0.150 -2.203 6.127 1.00 0.00 C ATOM 773 CD2 LEU A 57 1.547 -3.762 4.758 1.00 0.00 C ATOM 0 H LEU A 57 0.648 -5.283 9.245 1.00 0.00 H new ATOM 0 HA LEU A 57 1.866 -5.924 6.634 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.155 -3.433 8.136 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.582 -3.378 7.120 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.070 -4.321 6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.472 -2.019 5.251 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.458 -2.122 7.028 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.952 -1.466 6.163 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.905 -3.557 3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.384 -3.064 4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.925 -4.782 4.692 1.00 0.00 H new ATOM 785 N GLU A 58 4.131 -6.305 7.524 1.00 0.00 N ATOM 786 CA GLU A 58 5.488 -6.536 8.005 1.00 0.00 C ATOM 787 C GLU A 58 6.514 -5.913 7.062 1.00 0.00 C ATOM 788 O GLU A 58 6.228 -5.671 5.889 1.00 0.00 O ATOM 789 CB GLU A 58 5.755 -8.036 8.147 1.00 0.00 C ATOM 790 CG GLU A 58 5.071 -8.665 9.349 1.00 0.00 C ATOM 791 CD GLU A 58 5.444 -10.123 9.536 1.00 0.00 C ATOM 792 OE1 GLU A 58 5.219 -10.917 8.599 1.00 0.00 O ATOM 793 OE2 GLU A 58 5.960 -10.470 10.619 1.00 0.00 O ATOM 0 H GLU A 58 3.899 -6.798 6.661 1.00 0.00 H new ATOM 0 HA GLU A 58 5.584 -6.063 8.982 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.420 -8.543 7.242 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.830 -8.199 8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.338 -8.108 10.247 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.990 -8.582 9.232 1.00 0.00 H new ATOM 800 N VAL A 59 7.709 -5.656 7.583 1.00 0.00 N ATOM 801 CA VAL A 59 8.777 -5.062 6.789 1.00 0.00 C ATOM 802 C VAL A 59 9.124 -5.938 5.590 1.00 0.00 C ATOM 803 O VAL A 59 9.510 -7.096 5.746 1.00 0.00 O ATOM 804 CB VAL A 59 10.047 -4.839 7.632 1.00 0.00 C ATOM 805 CG1 VAL A 59 11.113 -4.126 6.815 1.00 0.00 C ATOM 806 CG2 VAL A 59 9.717 -4.056 8.894 1.00 0.00 C ATOM 0 H VAL A 59 7.962 -5.850 8.552 1.00 0.00 H new ATOM 0 HA VAL A 59 8.410 -4.098 6.437 1.00 0.00 H new ATOM 0 HB VAL A 59 10.441 -5.811 7.928 1.00 0.00 H new ATOM 0 HG11 VAL A 59 12.002 -3.978 7.428 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.369 -4.730 5.944 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.733 -3.159 6.486 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.625 -3.907 9.478 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.298 -3.087 8.622 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.991 -4.612 9.488 1.00 0.00 H new ATOM 816 N GLY A 60 8.983 -5.377 4.393 1.00 0.00 N ATOM 817 CA GLY A 60 9.285 -6.122 3.185 1.00 0.00 C ATOM 818 C GLY A 60 8.096 -6.217 2.249 1.00 0.00 C ATOM 819 O GLY A 60 8.261 -6.352 1.037 1.00 0.00 O ATOM 0 H GLY A 60 8.665 -4.420 4.238 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.115 -5.644 2.665 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.613 -7.126 3.454 1.00 0.00 H new ATOM 823 N ASP A 61 6.895 -6.148 2.813 1.00 0.00 N ATOM 824 CA ASP A 61 5.673 -6.228 2.021 1.00 0.00 C ATOM 825 C ASP A 61 5.777 -5.357 0.772 1.00 0.00 C ATOM 826 O ASP A 61 6.376 -4.281 0.801 1.00 0.00 O ATOM 827 CB ASP A 61 4.468 -5.798 2.859 1.00 0.00 C ATOM 828 CG ASP A 61 3.846 -6.956 3.615 1.00 0.00 C ATOM 829 OD1 ASP A 61 3.476 -7.957 2.967 1.00 0.00 O ATOM 830 OD2 ASP A 61 3.730 -6.860 4.854 1.00 0.00 O ATOM 0 H ASP A 61 6.742 -6.037 3.815 1.00 0.00 H new ATOM 0 HA ASP A 61 5.538 -7.264 1.710 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.777 -5.030 3.567 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.718 -5.348 2.208 1.00 0.00 H new ATOM 835 N LEU A 62 5.192 -5.830 -0.322 1.00 0.00 N ATOM 836 CA LEU A 62 5.219 -5.095 -1.582 1.00 0.00 C ATOM 837 C LEU A 62 3.862 -4.463 -1.873 1.00 0.00 C ATOM 838 O LEU A 62 2.860 -5.161 -2.027 1.00 0.00 O ATOM 839 CB LEU A 62 5.617 -6.026 -2.729 1.00 0.00 C ATOM 840 CG LEU A 62 6.875 -6.866 -2.506 1.00 0.00 C ATOM 841 CD1 LEU A 62 6.940 -8.006 -3.510 1.00 0.00 C ATOM 842 CD2 LEU A 62 8.121 -5.998 -2.601 1.00 0.00 C ATOM 0 H LEU A 62 4.693 -6.719 -0.363 1.00 0.00 H new ATOM 0 HA LEU A 62 5.958 -4.299 -1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.784 -6.701 -2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.761 -5.424 -3.626 1.00 0.00 H new ATOM 0 HG LEU A 62 6.830 -7.293 -1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.842 -8.593 -3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.064 -8.644 -3.394 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.961 -7.600 -4.521 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.006 -6.613 -2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.172 -5.541 -3.589 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.079 -5.217 -1.842 1.00 0.00 H new ATOM 854 N VAL A 63 3.837 -3.136 -1.949 1.00 0.00 N ATOM 855 CA VAL A 63 2.604 -2.409 -2.226 1.00 0.00 C ATOM 856 C VAL A 63 2.367 -2.278 -3.726 1.00 0.00 C ATOM 857 O VAL A 63 3.245 -1.837 -4.469 1.00 0.00 O ATOM 858 CB VAL A 63 2.629 -1.002 -1.597 1.00 0.00 C ATOM 859 CG1 VAL A 63 1.258 -0.350 -1.694 1.00 0.00 C ATOM 860 CG2 VAL A 63 3.094 -1.074 -0.150 1.00 0.00 C ATOM 0 H VAL A 63 4.657 -2.543 -1.823 1.00 0.00 H new ATOM 0 HA VAL A 63 1.791 -2.984 -1.782 1.00 0.00 H new ATOM 0 HB VAL A 63 3.337 -0.387 -2.152 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.295 0.643 -1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.969 -0.264 -2.742 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.526 -0.961 -1.165 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.106 -0.072 0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.412 -1.705 0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.098 -1.497 -0.111 1.00 0.00 H new ATOM 870 N LEU A 64 1.174 -2.665 -4.166 1.00 0.00 N ATOM 871 CA LEU A 64 0.820 -2.591 -5.579 1.00 0.00 C ATOM 872 C LEU A 64 -0.221 -1.503 -5.824 1.00 0.00 C ATOM 873 O LEU A 64 -0.161 -0.785 -6.822 1.00 0.00 O ATOM 874 CB LEU A 64 0.287 -3.941 -6.063 1.00 0.00 C ATOM 875 CG LEU A 64 1.235 -5.131 -5.909 1.00 0.00 C ATOM 876 CD1 LEU A 64 0.480 -6.440 -6.081 1.00 0.00 C ATOM 877 CD2 LEU A 64 2.376 -5.036 -6.912 1.00 0.00 C ATOM 0 H LEU A 64 0.437 -3.033 -3.565 1.00 0.00 H new ATOM 0 HA LEU A 64 1.720 -2.340 -6.141 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.632 -4.162 -5.520 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.021 -3.848 -7.116 1.00 0.00 H new ATOM 0 HG LEU A 64 1.657 -5.108 -4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.170 -7.276 -5.968 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.302 -6.511 -5.325 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.030 -6.473 -7.073 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.041 -5.891 -6.789 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.971 -5.034 -7.924 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.934 -4.115 -6.743 1.00 0.00 H new ATOM 889 N HIS A 65 -1.174 -1.386 -4.904 1.00 0.00 N ATOM 890 CA HIS A 65 -2.227 -0.384 -5.018 1.00 0.00 C ATOM 891 C HIS A 65 -2.591 0.181 -3.648 1.00 0.00 C ATOM 892 O HIS A 65 -2.306 -0.432 -2.619 1.00 0.00 O ATOM 893 CB HIS A 65 -3.467 -0.988 -5.679 1.00 0.00 C ATOM 894 CG HIS A 65 -3.205 -1.547 -7.044 1.00 0.00 C ATOM 895 ND1 HIS A 65 -2.491 -0.870 -8.010 1.00 0.00 N ATOM 896 CD2 HIS A 65 -3.566 -2.726 -7.602 1.00 0.00 C ATOM 897 CE1 HIS A 65 -2.425 -1.608 -9.104 1.00 0.00 C ATOM 898 NE2 HIS A 65 -3.069 -2.740 -8.882 1.00 0.00 N ATOM 0 H HIS A 65 -1.238 -1.973 -4.072 1.00 0.00 H new ATOM 0 HA HIS A 65 -1.853 0.430 -5.640 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.860 -1.779 -5.041 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.240 -0.223 -5.751 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.138 -3.510 -7.129 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.929 -1.333 -10.023 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -3.179 -3.501 -9.552 1.00 0.00 H new ATOM 907 N ILE A 66 -3.221 1.351 -3.644 1.00 0.00 N ATOM 908 CA ILE A 66 -3.623 1.996 -2.401 1.00 0.00 C ATOM 909 C ILE A 66 -5.023 2.589 -2.517 1.00 0.00 C ATOM 910 O ILE A 66 -5.347 3.253 -3.501 1.00 0.00 O ATOM 911 CB ILE A 66 -2.638 3.110 -2.000 1.00 0.00 C ATOM 912 CG1 ILE A 66 -1.209 2.564 -1.951 1.00 0.00 C ATOM 913 CG2 ILE A 66 -3.029 3.706 -0.656 1.00 0.00 C ATOM 914 CD1 ILE A 66 -0.150 3.623 -2.159 1.00 0.00 C ATOM 0 H ILE A 66 -3.464 1.871 -4.487 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.620 1.225 -1.631 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.681 3.899 -2.751 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.046 2.083 -0.987 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.096 1.794 -2.715 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.323 4.492 -0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.032 4.127 -0.723 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.012 2.927 0.106 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.838 3.164 -2.112 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.287 4.088 -3.135 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.236 4.381 -1.380 1.00 0.00 H new ATOM 926 N ASN A 67 -5.849 2.347 -1.504 1.00 0.00 N ATOM 927 CA ASN A 67 -7.215 2.858 -1.492 1.00 0.00 C ATOM 928 C ASN A 67 -7.924 2.544 -2.806 1.00 0.00 C ATOM 929 O ASN A 67 -8.663 3.372 -3.338 1.00 0.00 O ATOM 930 CB ASN A 67 -7.214 4.368 -1.249 1.00 0.00 C ATOM 931 CG ASN A 67 -7.205 4.716 0.228 1.00 0.00 C ATOM 932 OD1 ASN A 67 -6.015 4.909 0.783 1.00 0.00 O flip ATOM 933 ND2 ASN A 67 -8.257 4.809 0.861 1.00 0.00 N flip ATOM 0 H ASN A 67 -5.596 1.800 -0.681 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.754 2.366 -0.682 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.341 4.810 -1.729 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.093 4.809 -1.718 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.150 4.652 0.393 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -8.236 5.043 1.854 1.00 0.00 H new ATOM 940 N GLY A 68 -7.696 1.341 -3.323 1.00 0.00 N ATOM 941 CA GLY A 68 -8.321 0.938 -4.570 1.00 0.00 C ATOM 942 C GLY A 68 -7.878 1.791 -5.742 1.00 0.00 C ATOM 943 O GLY A 68 -8.576 1.879 -6.751 1.00 0.00 O ATOM 0 H GLY A 68 -7.090 0.638 -2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.081 -0.106 -4.773 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.404 1.002 -4.467 1.00 0.00 H new ATOM 947 N GLU A 69 -6.715 2.420 -5.608 1.00 0.00 N ATOM 948 CA GLU A 69 -6.182 3.272 -6.665 1.00 0.00 C ATOM 949 C GLU A 69 -4.931 2.654 -7.283 1.00 0.00 C ATOM 950 O GLU A 69 -4.301 1.779 -6.691 1.00 0.00 O ATOM 951 CB GLU A 69 -5.859 4.663 -6.115 1.00 0.00 C ATOM 952 CG GLU A 69 -7.079 5.420 -5.619 1.00 0.00 C ATOM 953 CD GLU A 69 -7.982 5.875 -6.749 1.00 0.00 C ATOM 954 OE1 GLU A 69 -8.788 5.052 -7.231 1.00 0.00 O ATOM 955 OE2 GLU A 69 -7.884 7.053 -7.150 1.00 0.00 O ATOM 0 H GLU A 69 -6.124 2.356 -4.779 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.942 3.364 -7.441 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.146 4.564 -5.297 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.371 5.248 -6.894 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.646 4.783 -4.940 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.755 6.289 -5.046 1.00 0.00 H new ATOM 962 N SER A 70 -4.579 3.116 -8.479 1.00 0.00 N ATOM 963 CA SER A 70 -3.406 2.607 -9.180 1.00 0.00 C ATOM 964 C SER A 70 -2.180 3.464 -8.882 1.00 0.00 C ATOM 965 O SER A 70 -2.146 4.653 -9.201 1.00 0.00 O ATOM 966 CB SER A 70 -3.664 2.571 -10.688 1.00 0.00 C ATOM 967 OG SER A 70 -2.449 2.463 -11.410 1.00 0.00 O ATOM 0 H SER A 70 -5.089 3.842 -8.982 1.00 0.00 H new ATOM 0 HA SER A 70 -3.213 1.594 -8.827 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.311 1.727 -10.930 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.192 3.475 -10.992 1.00 0.00 H new ATOM 0 HG SER A 70 -2.640 2.440 -12.371 1.00 0.00 H new ATOM 973 N THR A 71 -1.172 2.851 -8.269 1.00 0.00 N ATOM 974 CA THR A 71 0.056 3.556 -7.926 1.00 0.00 C ATOM 975 C THR A 71 0.994 3.641 -9.124 1.00 0.00 C ATOM 976 O THR A 71 2.064 4.244 -9.045 1.00 0.00 O ATOM 977 CB THR A 71 0.792 2.869 -6.760 1.00 0.00 C ATOM 978 OG1 THR A 71 1.797 3.742 -6.233 1.00 0.00 O ATOM 979 CG2 THR A 71 1.432 1.567 -7.217 1.00 0.00 C ATOM 0 H THR A 71 -1.183 1.867 -8.000 1.00 0.00 H new ATOM 0 HA THR A 71 -0.232 4.562 -7.621 1.00 0.00 H new ATOM 0 HB THR A 71 0.063 2.643 -5.981 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.218 4.237 -6.967 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.946 1.100 -6.377 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.660 0.894 -7.590 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.149 1.773 -8.012 1.00 0.00 H new ATOM 987 N GLN A 72 0.586 3.034 -10.234 1.00 0.00 N ATOM 988 CA GLN A 72 1.391 3.041 -11.449 1.00 0.00 C ATOM 989 C GLN A 72 1.799 4.462 -11.823 1.00 0.00 C ATOM 990 O GLN A 72 2.854 4.680 -12.417 1.00 0.00 O ATOM 991 CB GLN A 72 0.618 2.399 -12.603 1.00 0.00 C ATOM 992 CG GLN A 72 1.442 2.232 -13.869 1.00 0.00 C ATOM 993 CD GLN A 72 1.740 3.553 -14.550 1.00 0.00 C ATOM 994 OE1 GLN A 72 1.019 4.535 -14.368 1.00 0.00 O ATOM 995 NE2 GLN A 72 2.806 3.585 -15.341 1.00 0.00 N ATOM 0 H GLN A 72 -0.298 2.531 -10.317 1.00 0.00 H new ATOM 0 HA GLN A 72 2.294 2.461 -11.259 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.253 1.422 -12.286 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.257 3.009 -12.827 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.380 1.734 -13.624 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.908 1.582 -14.563 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.376 2.748 -15.463 1.00 0.00 H new ATOM 0 HE22 GLN A 72 3.055 4.447 -15.826 1.00 0.00 H new ATOM 1004 N GLY A 73 0.954 5.427 -11.472 1.00 0.00 N ATOM 1005 CA GLY A 73 1.243 6.815 -11.780 1.00 0.00 C ATOM 1006 C GLY A 73 1.486 7.646 -10.536 1.00 0.00 C ATOM 1007 O GLY A 73 1.674 8.861 -10.618 1.00 0.00 O ATOM 0 H GLY A 73 0.074 5.272 -10.980 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.121 6.866 -12.424 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.411 7.241 -12.341 1.00 0.00 H new ATOM 1011 N LEU A 74 1.482 6.993 -9.379 1.00 0.00 N ATOM 1012 CA LEU A 74 1.702 7.680 -8.111 1.00 0.00 C ATOM 1013 C LEU A 74 3.073 7.338 -7.538 1.00 0.00 C ATOM 1014 O LEU A 74 3.364 6.178 -7.244 1.00 0.00 O ATOM 1015 CB LEU A 74 0.609 7.304 -7.109 1.00 0.00 C ATOM 1016 CG LEU A 74 -0.832 7.496 -7.583 1.00 0.00 C ATOM 1017 CD1 LEU A 74 -1.811 7.031 -6.517 1.00 0.00 C ATOM 1018 CD2 LEU A 74 -1.085 8.953 -7.944 1.00 0.00 C ATOM 0 H LEU A 74 1.329 5.988 -9.293 1.00 0.00 H new ATOM 0 HA LEU A 74 1.663 8.754 -8.295 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.743 6.258 -6.832 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.754 7.895 -6.205 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.985 6.890 -8.476 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.831 7.175 -6.872 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.646 5.974 -6.307 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.659 7.610 -5.606 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.115 9.071 -8.279 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.914 9.580 -7.069 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.407 9.253 -8.743 1.00 0.00 H new ATOM 1030 N THR A 75 3.913 8.356 -7.379 1.00 0.00 N ATOM 1031 CA THR A 75 5.253 8.164 -6.839 1.00 0.00 C ATOM 1032 C THR A 75 5.218 7.999 -5.324 1.00 0.00 C ATOM 1033 O THR A 75 4.180 8.199 -4.692 1.00 0.00 O ATOM 1034 CB THR A 75 6.176 9.345 -7.194 1.00 0.00 C ATOM 1035 OG1 THR A 75 5.505 10.585 -6.941 1.00 0.00 O ATOM 1036 CG2 THR A 75 6.600 9.281 -8.654 1.00 0.00 C ATOM 0 H THR A 75 3.689 9.322 -7.617 1.00 0.00 H new ATOM 0 HA THR A 75 5.648 7.254 -7.291 1.00 0.00 H new ATOM 0 HB THR A 75 7.067 9.281 -6.570 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.099 11.331 -7.168 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.251 10.125 -8.881 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.136 8.350 -8.837 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.717 9.322 -9.292 1.00 0.00 H new ATOM 1044 N HIS A 76 6.358 7.634 -4.746 1.00 0.00 N ATOM 1045 CA HIS A 76 6.457 7.444 -3.304 1.00 0.00 C ATOM 1046 C HIS A 76 5.673 8.520 -2.559 1.00 0.00 C ATOM 1047 O HIS A 76 4.927 8.223 -1.626 1.00 0.00 O ATOM 1048 CB HIS A 76 7.921 7.467 -2.865 1.00 0.00 C ATOM 1049 CG HIS A 76 8.108 7.813 -1.419 1.00 0.00 C ATOM 1050 ND1 HIS A 76 8.931 8.833 -0.990 1.00 0.00 N ATOM 1051 CD2 HIS A 76 7.570 7.270 -0.302 1.00 0.00 C ATOM 1052 CE1 HIS A 76 8.893 8.901 0.329 1.00 0.00 C ATOM 1053 NE2 HIS A 76 8.074 7.963 0.771 1.00 0.00 N ATOM 0 H HIS A 76 7.226 7.464 -5.254 1.00 0.00 H new ATOM 0 HA HIS A 76 6.028 6.472 -3.060 1.00 0.00 H new ATOM 0 HB2 HIS A 76 8.364 6.490 -3.057 1.00 0.00 H new ATOM 0 HB3 HIS A 76 8.464 8.189 -3.476 1.00 0.00 H new ATOM 0 HD2 HIS A 76 6.874 6.445 -0.262 1.00 0.00 H new ATOM 0 HE1 HIS A 76 9.438 9.604 0.942 1.00 0.00 H new ATOM 0 HE2 HIS A 76 7.852 7.783 1.750 1.00 0.00 H new ATOM 1062 N ALA A 77 5.848 9.769 -2.977 1.00 0.00 N ATOM 1063 CA ALA A 77 5.156 10.888 -2.350 1.00 0.00 C ATOM 1064 C ALA A 77 3.652 10.807 -2.588 1.00 0.00 C ATOM 1065 O ALA A 77 2.860 10.909 -1.652 1.00 0.00 O ATOM 1066 CB ALA A 77 5.705 12.207 -2.872 1.00 0.00 C ATOM 0 H ALA A 77 6.463 10.031 -3.747 1.00 0.00 H new ATOM 0 HA ALA A 77 5.330 10.835 -1.275 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.179 13.034 -2.395 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.769 12.274 -2.644 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.561 12.259 -3.951 1.00 0.00 H new ATOM 1072 N GLN A 78 3.267 10.624 -3.847 1.00 0.00 N ATOM 1073 CA GLN A 78 1.857 10.531 -4.208 1.00 0.00 C ATOM 1074 C GLN A 78 1.156 9.449 -3.392 1.00 0.00 C ATOM 1075 O GLN A 78 0.135 9.703 -2.754 1.00 0.00 O ATOM 1076 CB GLN A 78 1.709 10.235 -5.701 1.00 0.00 C ATOM 1077 CG GLN A 78 2.173 11.374 -6.596 1.00 0.00 C ATOM 1078 CD GLN A 78 1.485 12.686 -6.275 1.00 0.00 C ATOM 1079 OE1 GLN A 78 0.425 12.993 -6.820 1.00 0.00 O ATOM 1080 NE2 GLN A 78 2.085 13.468 -5.385 1.00 0.00 N ATOM 0 H GLN A 78 3.911 10.537 -4.633 1.00 0.00 H new ATOM 0 HA GLN A 78 1.388 11.490 -3.986 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.279 9.338 -5.943 1.00 0.00 H new ATOM 0 HB3 GLN A 78 0.663 10.016 -5.918 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.251 11.498 -6.490 1.00 0.00 H new ATOM 0 HG3 GLN A 78 1.983 11.114 -7.637 1.00 0.00 H new ATOM 0 HE21 GLN A 78 2.963 13.174 -4.958 1.00 0.00 H new ATOM 0 HE22 GLN A 78 1.668 14.363 -5.129 1.00 0.00 H new ATOM 1089 N ALA A 79 1.712 8.242 -3.418 1.00 0.00 N ATOM 1090 CA ALA A 79 1.141 7.123 -2.679 1.00 0.00 C ATOM 1091 C ALA A 79 0.944 7.478 -1.209 1.00 0.00 C ATOM 1092 O ALA A 79 -0.169 7.413 -0.689 1.00 0.00 O ATOM 1093 CB ALA A 79 2.030 5.895 -2.812 1.00 0.00 C ATOM 0 H ALA A 79 2.557 8.014 -3.943 1.00 0.00 H new ATOM 0 HA ALA A 79 0.163 6.899 -3.106 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.592 5.067 -2.255 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.116 5.620 -3.863 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.020 6.117 -2.413 1.00 0.00 H new ATOM 1099 N VAL A 80 2.032 7.854 -0.545 1.00 0.00 N ATOM 1100 CA VAL A 80 1.979 8.220 0.866 1.00 0.00 C ATOM 1101 C VAL A 80 0.833 9.188 1.139 1.00 0.00 C ATOM 1102 O VAL A 80 0.139 9.074 2.149 1.00 0.00 O ATOM 1103 CB VAL A 80 3.300 8.861 1.330 1.00 0.00 C ATOM 1104 CG1 VAL A 80 3.207 9.279 2.789 1.00 0.00 C ATOM 1105 CG2 VAL A 80 4.462 7.903 1.113 1.00 0.00 C ATOM 0 H VAL A 80 2.961 7.913 -0.961 1.00 0.00 H new ATOM 0 HA VAL A 80 1.815 7.299 1.426 1.00 0.00 H new ATOM 0 HB VAL A 80 3.480 9.755 0.732 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.150 9.730 3.099 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.401 10.003 2.909 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.003 8.404 3.406 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.388 8.372 1.446 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.292 6.990 1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.540 7.660 0.053 1.00 0.00 H new ATOM 1115 N GLU A 81 0.641 10.140 0.231 1.00 0.00 N ATOM 1116 CA GLU A 81 -0.421 11.129 0.375 1.00 0.00 C ATOM 1117 C GLU A 81 -1.788 10.453 0.448 1.00 0.00 C ATOM 1118 O GLU A 81 -2.567 10.703 1.367 1.00 0.00 O ATOM 1119 CB GLU A 81 -0.391 12.116 -0.793 1.00 0.00 C ATOM 1120 CG GLU A 81 -1.276 13.334 -0.584 1.00 0.00 C ATOM 1121 CD GLU A 81 -1.706 13.974 -1.890 1.00 0.00 C ATOM 1122 OE1 GLU A 81 -0.821 14.415 -2.653 1.00 0.00 O ATOM 1123 OE2 GLU A 81 -2.926 14.033 -2.149 1.00 0.00 O ATOM 0 H GLU A 81 1.206 10.247 -0.611 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.253 11.672 1.305 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.635 12.446 -0.952 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.705 11.601 -1.701 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.161 13.043 -0.018 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.740 14.069 0.017 1.00 0.00 H new ATOM 1130 N ARG A 82 -2.070 9.596 -0.528 1.00 0.00 N ATOM 1131 CA ARG A 82 -3.342 8.885 -0.576 1.00 0.00 C ATOM 1132 C ARG A 82 -3.636 8.206 0.759 1.00 0.00 C ATOM 1133 O ARG A 82 -4.796 8.010 1.124 1.00 0.00 O ATOM 1134 CB ARG A 82 -3.327 7.844 -1.697 1.00 0.00 C ATOM 1135 CG ARG A 82 -3.047 8.432 -3.070 1.00 0.00 C ATOM 1136 CD ARG A 82 -4.236 9.225 -3.589 1.00 0.00 C ATOM 1137 NE ARG A 82 -5.475 8.455 -3.532 1.00 0.00 N ATOM 1138 CZ ARG A 82 -6.684 9.004 -3.557 1.00 0.00 C ATOM 1139 NH1 ARG A 82 -6.816 10.321 -3.639 1.00 0.00 N ATOM 1140 NH2 ARG A 82 -7.765 8.237 -3.501 1.00 0.00 N ATOM 0 H ARG A 82 -1.435 9.377 -1.296 1.00 0.00 H new ATOM 0 HA ARG A 82 -4.129 9.613 -0.775 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.571 7.091 -1.472 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.289 7.333 -1.719 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.171 9.079 -3.018 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.810 7.630 -3.769 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -4.348 10.136 -3.001 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.046 9.531 -4.618 1.00 0.00 H new ATOM 0 HE ARG A 82 -5.408 7.439 -3.470 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -5.988 10.915 -3.683 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.746 10.740 -3.658 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -7.669 7.223 -3.439 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -8.693 8.661 -3.520 1.00 0.00 H new ATOM 1154 N ILE A 83 -2.580 7.850 1.481 1.00 0.00 N ATOM 1155 CA ILE A 83 -2.725 7.194 2.775 1.00 0.00 C ATOM 1156 C ILE A 83 -3.304 8.149 3.813 1.00 0.00 C ATOM 1157 O ILE A 83 -4.438 7.981 4.262 1.00 0.00 O ATOM 1158 CB ILE A 83 -1.377 6.653 3.286 1.00 0.00 C ATOM 1159 CG1 ILE A 83 -0.540 6.122 2.121 1.00 0.00 C ATOM 1160 CG2 ILE A 83 -1.603 5.563 4.323 1.00 0.00 C ATOM 1161 CD1 ILE A 83 -1.310 5.212 1.190 1.00 0.00 C ATOM 0 H ILE A 83 -1.614 8.005 1.192 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.411 6.359 2.631 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.830 7.469 3.758 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.149 6.965 1.551 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.318 5.580 2.518 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.641 5.190 4.675 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.163 5.971 5.164 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.167 4.745 3.874 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.654 4.873 0.388 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.678 4.350 1.746 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.153 5.756 0.764 1.00 0.00 H new ATOM 1173 N ARG A 84 -2.517 9.152 4.190 1.00 0.00 N ATOM 1174 CA ARG A 84 -2.952 10.135 5.175 1.00 0.00 C ATOM 1175 C ARG A 84 -4.298 10.738 4.785 1.00 0.00 C ATOM 1176 O ARG A 84 -5.199 10.857 5.614 1.00 0.00 O ATOM 1177 CB ARG A 84 -1.906 11.243 5.317 1.00 0.00 C ATOM 1178 CG ARG A 84 -0.614 10.782 5.970 1.00 0.00 C ATOM 1179 CD ARG A 84 -0.782 10.604 7.471 1.00 0.00 C ATOM 1180 NE ARG A 84 -0.943 11.882 8.159 1.00 0.00 N ATOM 1181 CZ ARG A 84 -1.207 11.990 9.457 1.00 0.00 C ATOM 1182 NH1 ARG A 84 -1.338 10.902 10.203 1.00 0.00 N ATOM 1183 NH2 ARG A 84 -1.340 13.189 10.011 1.00 0.00 N ATOM 0 H ARG A 84 -1.576 9.305 3.828 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.066 9.627 6.133 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.680 11.646 4.330 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.330 12.057 5.905 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.295 9.840 5.524 1.00 0.00 H new ATOM 0 HG3 ARG A 84 0.174 11.510 5.775 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.651 9.975 7.666 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.086 10.082 7.874 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.848 12.739 7.614 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.236 9.979 9.781 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.541 10.988 11.199 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.240 14.028 9.440 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.543 13.271 11.007 1.00 0.00 H new ATOM 1197 N ALA A 85 -4.426 11.117 3.517 1.00 0.00 N ATOM 1198 CA ALA A 85 -5.661 11.706 3.017 1.00 0.00 C ATOM 1199 C ALA A 85 -6.781 10.671 2.964 1.00 0.00 C ATOM 1200 O ALA A 85 -7.960 11.014 3.035 1.00 0.00 O ATOM 1201 CB ALA A 85 -5.437 12.314 1.640 1.00 0.00 C ATOM 0 H ALA A 85 -3.689 11.026 2.818 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.962 12.495 3.706 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.368 12.750 1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.674 13.090 1.705 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.108 11.538 0.949 1.00 0.00 H new ATOM 1207 N GLY A 86 -6.402 9.403 2.839 1.00 0.00 N ATOM 1208 CA GLY A 86 -7.387 8.338 2.779 1.00 0.00 C ATOM 1209 C GLY A 86 -8.497 8.516 3.794 1.00 0.00 C ATOM 1210 O GLY A 86 -9.631 8.099 3.565 1.00 0.00 O ATOM 0 H GLY A 86 -5.432 9.094 2.778 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -7.817 8.301 1.778 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -6.893 7.381 2.949 1.00 0.00 H new ATOM 1214 N GLY A 87 -8.171 9.138 4.923 1.00 0.00 N ATOM 1215 CA GLY A 87 -9.160 9.358 5.962 1.00 0.00 C ATOM 1216 C GLY A 87 -8.866 8.565 7.220 1.00 0.00 C ATOM 1217 O GLY A 87 -7.728 8.178 7.484 1.00 0.00 O ATOM 0 H GLY A 87 -7.239 9.494 5.137 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.196 10.420 6.206 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.145 9.084 5.585 1.00 0.00 H new ATOM 1221 N PRO A 88 -9.911 8.312 8.022 1.00 0.00 N ATOM 1222 CA PRO A 88 -9.784 7.558 9.273 1.00 0.00 C ATOM 1223 C PRO A 88 -9.486 6.082 9.033 1.00 0.00 C ATOM 1224 O PRO A 88 -8.934 5.403 9.898 1.00 0.00 O ATOM 1225 CB PRO A 88 -11.157 7.727 9.929 1.00 0.00 C ATOM 1226 CG PRO A 88 -12.090 7.982 8.796 1.00 0.00 C ATOM 1227 CD PRO A 88 -11.296 8.742 7.770 1.00 0.00 C ATOM 0 HA PRO A 88 -8.957 7.919 9.884 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -11.443 6.834 10.484 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.158 8.556 10.637 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.468 7.047 8.383 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -12.955 8.558 9.125 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.614 8.499 6.756 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -11.410 9.819 7.891 1.00 0.00 H new ATOM 1235 N GLN A 89 -9.856 5.593 7.853 1.00 0.00 N ATOM 1236 CA GLN A 89 -9.628 4.197 7.501 1.00 0.00 C ATOM 1237 C GLN A 89 -8.536 4.074 6.443 1.00 0.00 C ATOM 1238 O GLN A 89 -8.587 4.731 5.403 1.00 0.00 O ATOM 1239 CB GLN A 89 -10.921 3.559 6.991 1.00 0.00 C ATOM 1240 CG GLN A 89 -11.930 3.269 8.091 1.00 0.00 C ATOM 1241 CD GLN A 89 -13.335 3.068 7.556 1.00 0.00 C ATOM 1242 OE1 GLN A 89 -13.556 3.068 6.345 1.00 0.00 O ATOM 1243 NE2 GLN A 89 -14.293 2.895 8.458 1.00 0.00 N ATOM 0 H GLN A 89 -10.314 6.143 7.126 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.301 3.672 8.398 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.378 4.221 6.255 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.679 2.629 6.476 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.622 2.377 8.636 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.931 4.093 8.804 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.065 2.902 9.452 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -15.257 2.755 8.157 1.00 0.00 H new ATOM 1252 N LEU A 90 -7.548 3.229 6.716 1.00 0.00 N ATOM 1253 CA LEU A 90 -6.442 3.019 5.787 1.00 0.00 C ATOM 1254 C LEU A 90 -6.662 1.762 4.953 1.00 0.00 C ATOM 1255 O LEU A 90 -7.138 0.744 5.457 1.00 0.00 O ATOM 1256 CB LEU A 90 -5.121 2.913 6.552 1.00 0.00 C ATOM 1257 CG LEU A 90 -4.011 2.115 5.867 1.00 0.00 C ATOM 1258 CD1 LEU A 90 -2.645 2.643 6.274 1.00 0.00 C ATOM 1259 CD2 LEU A 90 -4.135 0.635 6.201 1.00 0.00 C ATOM 0 H LEU A 90 -7.490 2.678 7.572 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.398 3.875 5.114 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.752 3.921 6.742 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.322 2.459 7.522 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.116 2.234 4.789 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.868 2.063 5.777 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.558 3.690 5.983 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.528 2.555 7.354 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.337 0.082 5.705 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.056 0.498 7.279 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.101 0.264 5.858 1.00 0.00 H new ATOM 1271 N HIS A 91 -6.311 1.838 3.673 1.00 0.00 N ATOM 1272 CA HIS A 91 -6.468 0.705 2.768 1.00 0.00 C ATOM 1273 C HIS A 91 -5.261 0.577 1.843 1.00 0.00 C ATOM 1274 O HIS A 91 -5.034 1.426 0.980 1.00 0.00 O ATOM 1275 CB HIS A 91 -7.745 0.858 1.941 1.00 0.00 C ATOM 1276 CG HIS A 91 -8.184 -0.411 1.277 1.00 0.00 C ATOM 1277 ND1 HIS A 91 -7.860 -0.730 -0.024 1.00 0.00 N ATOM 1278 CD2 HIS A 91 -8.924 -1.443 1.744 1.00 0.00 C ATOM 1279 CE1 HIS A 91 -8.384 -1.903 -0.331 1.00 0.00 C ATOM 1280 NE2 HIS A 91 -9.035 -2.358 0.725 1.00 0.00 N ATOM 0 H HIS A 91 -5.916 2.672 3.239 1.00 0.00 H new ATOM 0 HA HIS A 91 -6.540 -0.201 3.370 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -8.546 1.216 2.588 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.585 1.621 1.179 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.348 -1.531 2.733 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -8.295 -2.405 -1.283 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -9.538 -3.244 0.775 1.00 0.00 H new ATOM 1289 N LEU A 92 -4.489 -0.488 2.029 1.00 0.00 N ATOM 1290 CA LEU A 92 -3.305 -0.727 1.212 1.00 0.00 C ATOM 1291 C LEU A 92 -3.335 -2.125 0.604 1.00 0.00 C ATOM 1292 O LEU A 92 -3.607 -3.108 1.294 1.00 0.00 O ATOM 1293 CB LEU A 92 -2.038 -0.551 2.051 1.00 0.00 C ATOM 1294 CG LEU A 92 -2.020 0.651 2.996 1.00 0.00 C ATOM 1295 CD1 LEU A 92 -0.831 0.571 3.940 1.00 0.00 C ATOM 1296 CD2 LEU A 92 -1.989 1.951 2.206 1.00 0.00 C ATOM 0 H LEU A 92 -4.662 -1.200 2.739 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.301 0.001 0.401 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.889 -1.455 2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.187 -0.469 1.375 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.933 0.633 3.592 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.835 1.435 4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.897 -0.342 4.531 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.093 0.563 3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.977 2.795 2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.095 1.977 1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.874 2.013 1.572 1.00 0.00 H new ATOM 1308 N VAL A 93 -3.053 -2.208 -0.692 1.00 0.00 N ATOM 1309 CA VAL A 93 -3.045 -3.486 -1.393 1.00 0.00 C ATOM 1310 C VAL A 93 -1.643 -4.084 -1.429 1.00 0.00 C ATOM 1311 O VAL A 93 -0.729 -3.513 -2.025 1.00 0.00 O ATOM 1312 CB VAL A 93 -3.566 -3.339 -2.835 1.00 0.00 C ATOM 1313 CG1 VAL A 93 -3.905 -4.701 -3.422 1.00 0.00 C ATOM 1314 CG2 VAL A 93 -4.775 -2.417 -2.873 1.00 0.00 C ATOM 0 H VAL A 93 -2.827 -1.404 -1.278 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.708 -4.153 -0.842 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.779 -2.894 -3.444 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.271 -4.577 -4.441 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.012 -5.326 -3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.675 -5.177 -2.815 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.130 -2.325 -3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.568 -2.831 -2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.494 -1.433 -2.496 1.00 0.00 H new ATOM 1324 N ILE A 94 -1.481 -5.237 -0.789 1.00 0.00 N ATOM 1325 CA ILE A 94 -0.190 -5.914 -0.750 1.00 0.00 C ATOM 1326 C ILE A 94 -0.294 -7.329 -1.308 1.00 0.00 C ATOM 1327 O ILE A 94 -1.345 -7.965 -1.224 1.00 0.00 O ATOM 1328 CB ILE A 94 0.367 -5.979 0.684 1.00 0.00 C ATOM 1329 CG1 ILE A 94 0.491 -4.571 1.271 1.00 0.00 C ATOM 1330 CG2 ILE A 94 1.715 -6.684 0.696 1.00 0.00 C ATOM 1331 CD1 ILE A 94 1.614 -3.759 0.662 1.00 0.00 C ATOM 0 H ILE A 94 -2.227 -5.722 -0.290 1.00 0.00 H new ATOM 0 HA ILE A 94 0.491 -5.331 -1.370 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.326 -6.550 1.302 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.450 -4.041 1.125 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.650 -4.647 2.347 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.096 -6.722 1.716 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.599 -7.698 0.314 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.417 -6.137 0.067 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.643 -2.773 1.125 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.563 -4.267 0.831 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.446 -3.652 -0.410 1.00 0.00 H new ATOM 1343 N ARG A 95 0.803 -7.817 -1.876 1.00 0.00 N ATOM 1344 CA ARG A 95 0.836 -9.158 -2.447 1.00 0.00 C ATOM 1345 C ARG A 95 2.076 -9.917 -1.983 1.00 0.00 C ATOM 1346 O ARG A 95 3.182 -9.671 -2.464 1.00 0.00 O ATOM 1347 CB ARG A 95 0.812 -9.086 -3.975 1.00 0.00 C ATOM 1348 CG ARG A 95 1.173 -10.397 -4.653 1.00 0.00 C ATOM 1349 CD ARG A 95 1.466 -10.198 -6.132 1.00 0.00 C ATOM 1350 NE ARG A 95 2.800 -9.648 -6.356 1.00 0.00 N ATOM 1351 CZ ARG A 95 3.905 -10.384 -6.370 1.00 0.00 C ATOM 1352 NH1 ARG A 95 3.836 -11.694 -6.173 1.00 0.00 N ATOM 1353 NH2 ARG A 95 5.083 -9.811 -6.581 1.00 0.00 N ATOM 0 H ARG A 95 1.681 -7.304 -1.953 1.00 0.00 H new ATOM 0 HA ARG A 95 -0.048 -9.694 -2.101 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.183 -8.781 -4.300 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.506 -8.313 -4.305 1.00 0.00 H new ATOM 0 HG2 ARG A 95 2.044 -10.833 -4.164 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.354 -11.106 -4.536 1.00 0.00 H new ATOM 0 HD2 ARG A 95 1.375 -11.152 -6.651 1.00 0.00 H new ATOM 0 HD3 ARG A 95 0.721 -9.529 -6.562 1.00 0.00 H new ATOM 0 HE ARG A 95 2.888 -8.644 -6.510 1.00 0.00 H new ATOM 0 HH11 ARG A 95 2.932 -12.138 -6.010 1.00 0.00 H new ATOM 0 HH12 ARG A 95 4.687 -12.257 -6.184 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.140 -8.804 -6.733 1.00 0.00 H new ATOM 0 HH22 ARG A 95 5.931 -10.378 -6.591 1.00 0.00 H new ATOM 1367 N ARG A 96 1.883 -10.838 -1.045 1.00 0.00 N ATOM 1368 CA ARG A 96 2.986 -11.631 -0.515 1.00 0.00 C ATOM 1369 C ARG A 96 3.790 -12.268 -1.644 1.00 0.00 C ATOM 1370 O ARG A 96 3.347 -13.213 -2.298 1.00 0.00 O ATOM 1371 CB ARG A 96 2.456 -12.717 0.424 1.00 0.00 C ATOM 1372 CG ARG A 96 3.548 -13.585 1.029 1.00 0.00 C ATOM 1373 CD ARG A 96 3.047 -14.993 1.311 1.00 0.00 C ATOM 1374 NE ARG A 96 2.907 -15.779 0.089 1.00 0.00 N ATOM 1375 CZ ARG A 96 3.906 -16.453 -0.471 1.00 0.00 C ATOM 1376 NH1 ARG A 96 5.112 -16.435 0.080 1.00 0.00 N ATOM 1377 NH2 ARG A 96 3.699 -17.146 -1.583 1.00 0.00 N ATOM 0 H ARG A 96 0.974 -11.054 -0.636 1.00 0.00 H new ATOM 0 HA ARG A 96 3.643 -10.965 0.044 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.891 -12.246 1.228 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.761 -13.352 -0.125 1.00 0.00 H new ATOM 0 HG2 ARG A 96 4.398 -13.629 0.348 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.904 -13.132 1.954 1.00 0.00 H new ATOM 0 HD2 ARG A 96 3.739 -15.495 1.988 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.085 -14.940 1.820 1.00 0.00 H new ATOM 0 HE ARG A 96 1.992 -15.813 -0.360 1.00 0.00 H new ATOM 0 HH11 ARG A 96 5.274 -15.903 0.935 1.00 0.00 H new ATOM 0 HH12 ARG A 96 5.878 -16.953 -0.351 1.00 0.00 H new ATOM 0 HH21 ARG A 96 2.772 -17.162 -2.009 1.00 0.00 H new ATOM 0 HH22 ARG A 96 4.466 -17.663 -2.012 1.00 0.00 H new ATOM 1391 N PRO A 97 5.000 -11.740 -1.881 1.00 0.00 N ATOM 1392 CA PRO A 97 5.891 -12.241 -2.931 1.00 0.00 C ATOM 1393 C PRO A 97 6.450 -13.622 -2.607 1.00 0.00 C ATOM 1394 O PRO A 97 6.443 -14.051 -1.452 1.00 0.00 O ATOM 1395 CB PRO A 97 7.016 -11.204 -2.966 1.00 0.00 C ATOM 1396 CG PRO A 97 7.022 -10.605 -1.602 1.00 0.00 C ATOM 1397 CD PRO A 97 5.591 -10.613 -1.140 1.00 0.00 C ATOM 0 HA PRO A 97 5.373 -12.360 -3.882 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.975 -11.668 -3.199 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.834 -10.448 -3.730 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.654 -11.181 -0.926 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.420 -9.590 -1.623 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.517 -10.758 -0.062 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.089 -9.673 -1.370 1.00 0.00 H new