USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 506 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 58 SER OG : rot -63:sc= 0.00132 USER MOD Set 1.2: A 59 ASN : amide:sc=-0.00907 X(o=-0.0077,f=0.24) USER MOD Set 2.1: A 17 SER OG : rot -64:sc= 1.27 USER MOD Set 2.2: A 20 THR OG1 : rot -69:sc= 2.22 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= -0.435 USER MOD Single : A 15 SER OG : rot 49:sc= 0.634 USER MOD Single : A 19 ASN : amide:sc= 1.08 K(o=1.1,f=0.046) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -40:sc= 0.013 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 23:sc= 0.247 USER MOD Single : A 56 SER OG : rot 170:sc= 1.2 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 63 MET CE :methyl 168:sc= 0 (180deg=-0.0161) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 70 MET CE :methyl -160:sc= 0 (180deg=-0.511) USER MOD Single : A 71 ASN : amide:sc= -0.0524 K(o=-0.052,f=-1.3) USER MOD Single : A 73 LYS NZ :NH3+ -157:sc= 1.24 (180deg=0.669) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0.344 X(o=0.34,f=0) USER MOD ----------------------------------------------------------------- ATOM 100 N TYR A 9 7.402 -1.286 -10.750 1.00 0.00 N ATOM 101 CA TYR A 9 7.639 -1.431 -9.306 1.00 0.00 C ATOM 102 C TYR A 9 6.621 -0.574 -8.530 1.00 0.00 C ATOM 103 O TYR A 9 6.926 0.472 -7.949 1.00 0.00 O ATOM 104 CB TYR A 9 9.115 -1.133 -8.956 1.00 0.00 C ATOM 105 CG TYR A 9 9.717 0.139 -9.533 1.00 0.00 C ATOM 106 CD1 TYR A 9 10.008 0.226 -10.910 1.00 0.00 C ATOM 107 CD2 TYR A 9 10.007 1.235 -8.694 1.00 0.00 C ATOM 108 CE1 TYR A 9 10.503 1.422 -11.459 1.00 0.00 C ATOM 109 CE2 TYR A 9 10.533 2.423 -9.238 1.00 0.00 C ATOM 110 CZ TYR A 9 10.762 2.528 -10.623 1.00 0.00 C ATOM 111 OH TYR A 9 11.245 3.686 -11.144 1.00 0.00 O ATOM 0 HA TYR A 9 7.477 -2.464 -8.999 1.00 0.00 H new ATOM 0 HB2 TYR A 9 9.204 -1.088 -7.871 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.720 -1.976 -9.290 1.00 0.00 H new ATOM 0 HD1 TYR A 9 9.850 -0.632 -11.547 1.00 0.00 H new ATOM 0 HD2 TYR A 9 9.825 1.163 -7.632 1.00 0.00 H new ATOM 0 HE1 TYR A 9 10.685 1.494 -12.521 1.00 0.00 H new ATOM 0 HE2 TYR A 9 10.761 3.256 -8.590 1.00 0.00 H new ATOM 0 HH TYR A 9 11.364 4.343 -10.427 1.00 0.00 H new ATOM 121 N ARG A 10 5.387 -1.086 -8.499 1.00 0.00 N ATOM 122 CA ARG A 10 4.214 -0.595 -7.758 1.00 0.00 C ATOM 123 C ARG A 10 3.421 -1.813 -7.285 1.00 0.00 C ATOM 124 O ARG A 10 3.361 -2.820 -7.995 1.00 0.00 O ATOM 125 CB ARG A 10 3.385 0.332 -8.674 1.00 0.00 C ATOM 126 CG ARG A 10 2.053 0.835 -8.091 1.00 0.00 C ATOM 127 CD ARG A 10 1.317 1.760 -9.077 1.00 0.00 C ATOM 128 NE ARG A 10 1.870 3.126 -9.060 1.00 0.00 N ATOM 129 CZ ARG A 10 2.628 3.728 -9.959 1.00 0.00 C ATOM 130 NH1 ARG A 10 2.971 3.197 -11.092 1.00 0.00 N ATOM 131 NH2 ARG A 10 3.085 4.921 -9.732 1.00 0.00 N ATOM 0 H ARG A 10 5.161 -1.924 -9.035 1.00 0.00 H new ATOM 0 HA ARG A 10 4.501 -0.007 -6.886 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.996 1.197 -8.932 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.176 -0.199 -9.603 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.418 -0.016 -7.846 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.241 1.370 -7.160 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.391 1.350 -10.084 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.258 1.793 -8.823 1.00 0.00 H new ATOM 0 HE ARG A 10 1.635 3.685 -8.240 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.652 2.259 -11.333 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.560 3.718 -11.742 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.859 5.396 -8.858 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.670 5.384 -10.428 1.00 0.00 H new ATOM 145 N CYS A 11 2.818 -1.748 -6.105 1.00 0.00 N ATOM 146 CA CYS A 11 2.087 -2.875 -5.523 1.00 0.00 C ATOM 147 C CYS A 11 0.783 -2.460 -4.840 1.00 0.00 C ATOM 148 O CYS A 11 0.665 -1.357 -4.315 1.00 0.00 O ATOM 149 CB CYS A 11 3.014 -3.661 -4.590 1.00 0.00 C ATOM 150 SG CYS A 11 3.775 -2.592 -3.336 1.00 0.00 S ATOM 0 H CYS A 11 2.820 -0.912 -5.520 1.00 0.00 H new ATOM 0 HA CYS A 11 1.775 -3.529 -6.338 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.448 -4.452 -4.098 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.795 -4.145 -5.177 1.00 0.00 H new ATOM 0 HG CYS A 11 4.548 -3.304 -2.570 1.00 0.00 H new ATOM 156 N PHE A 12 -0.191 -3.365 -4.861 1.00 0.00 N ATOM 157 CA PHE A 12 -1.455 -3.277 -4.142 1.00 0.00 C ATOM 158 C PHE A 12 -1.258 -3.629 -2.662 1.00 0.00 C ATOM 159 O PHE A 12 -0.458 -4.509 -2.332 1.00 0.00 O ATOM 160 CB PHE A 12 -2.444 -4.226 -4.826 1.00 0.00 C ATOM 161 CG PHE A 12 -3.837 -4.256 -4.230 1.00 0.00 C ATOM 162 CD1 PHE A 12 -4.801 -3.313 -4.634 1.00 0.00 C ATOM 163 CD2 PHE A 12 -4.188 -5.266 -3.313 1.00 0.00 C ATOM 164 CE1 PHE A 12 -6.117 -3.397 -4.146 1.00 0.00 C ATOM 165 CE2 PHE A 12 -5.501 -5.344 -2.820 1.00 0.00 C ATOM 166 CZ PHE A 12 -6.468 -4.416 -3.243 1.00 0.00 C ATOM 0 H PHE A 12 -0.115 -4.222 -5.408 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.847 -2.260 -4.170 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.523 -3.945 -5.876 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.033 -5.235 -4.796 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.529 -2.524 -5.320 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.447 -5.981 -2.989 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.858 -2.679 -4.465 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.768 -6.118 -2.115 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.481 -4.486 -2.874 1.00 0.00 H new ATOM 176 N VAL A 13 -2.002 -2.949 -1.789 1.00 0.00 N ATOM 177 CA VAL A 13 -1.944 -3.082 -0.328 1.00 0.00 C ATOM 178 C VAL A 13 -3.352 -3.053 0.268 1.00 0.00 C ATOM 179 O VAL A 13 -4.028 -2.024 0.225 1.00 0.00 O ATOM 180 CB VAL A 13 -1.057 -1.996 0.328 1.00 0.00 C ATOM 181 CG1 VAL A 13 0.407 -2.438 0.354 1.00 0.00 C ATOM 182 CG2 VAL A 13 -1.124 -0.613 -0.341 1.00 0.00 C ATOM 0 H VAL A 13 -2.692 -2.261 -2.091 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.484 -4.046 -0.112 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.464 -1.887 1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.014 -1.661 0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.498 -3.361 0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.754 -2.608 -0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.470 0.079 0.189 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.801 -0.695 -1.379 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.148 -0.242 -0.308 1.00 0.00 H new ATOM 192 N GLY A 14 -3.787 -4.174 0.847 1.00 0.00 N ATOM 193 CA GLY A 14 -5.011 -4.270 1.656 1.00 0.00 C ATOM 194 C GLY A 14 -4.698 -4.096 3.144 1.00 0.00 C ATOM 195 O GLY A 14 -3.784 -4.750 3.646 1.00 0.00 O ATOM 0 H GLY A 14 -3.290 -5.061 0.767 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.722 -3.507 1.338 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.486 -5.237 1.491 1.00 0.00 H new ATOM 199 N SER A 15 -5.397 -3.194 3.843 1.00 0.00 N ATOM 200 CA SER A 15 -5.290 -2.955 5.306 1.00 0.00 C ATOM 201 C SER A 15 -6.311 -1.947 5.823 1.00 0.00 C ATOM 202 O SER A 15 -6.745 -2.027 6.970 1.00 0.00 O ATOM 203 CB SER A 15 -3.952 -2.294 5.687 1.00 0.00 C ATOM 204 OG SER A 15 -2.913 -3.229 5.647 1.00 0.00 O ATOM 0 H SER A 15 -6.081 -2.582 3.398 1.00 0.00 H new ATOM 0 HA SER A 15 -5.426 -3.949 5.732 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.737 -1.474 5.002 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.024 -1.864 6.686 1.00 0.00 H new ATOM 0 HG SER A 15 -2.947 -3.720 4.800 1.00 0.00 H new ATOM 210 N LEU A 16 -6.603 -0.932 5.008 1.00 0.00 N ATOM 211 CA LEU A 16 -7.054 0.377 5.461 1.00 0.00 C ATOM 212 C LEU A 16 -8.478 0.368 6.021 1.00 0.00 C ATOM 213 O LEU A 16 -9.256 -0.568 5.850 1.00 0.00 O ATOM 214 CB LEU A 16 -6.874 1.430 4.348 1.00 0.00 C ATOM 215 CG LEU A 16 -5.514 1.453 3.636 1.00 0.00 C ATOM 216 CD1 LEU A 16 -5.528 2.631 2.673 1.00 0.00 C ATOM 217 CD2 LEU A 16 -4.313 1.606 4.561 1.00 0.00 C ATOM 0 H LEU A 16 -6.530 -1.003 3.993 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.418 0.657 6.301 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.648 1.269 3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.049 2.415 4.780 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.394 0.488 3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.575 2.681 2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.335 2.502 1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.684 3.555 3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.397 1.612 3.970 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.395 2.543 5.112 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.286 0.773 5.263 1.00 0.00 H new ATOM 229 N SER A 17 -8.800 1.445 6.714 1.00 0.00 N ATOM 230 CA SER A 17 -9.989 1.588 7.556 1.00 0.00 C ATOM 231 C SER A 17 -10.365 3.061 7.664 1.00 0.00 C ATOM 232 O SER A 17 -9.647 3.920 7.141 1.00 0.00 O ATOM 233 CB SER A 17 -9.711 1.020 8.956 1.00 0.00 C ATOM 234 OG SER A 17 -8.825 1.865 9.670 1.00 0.00 O ATOM 0 H SER A 17 -8.220 2.284 6.710 1.00 0.00 H new ATOM 0 HA SER A 17 -10.814 1.036 7.106 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.647 0.918 9.505 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.281 0.022 8.871 1.00 0.00 H new ATOM 0 HG SER A 17 -7.957 1.888 9.215 1.00 0.00 H new ATOM 240 N TRP A 18 -11.438 3.374 8.391 1.00 0.00 N ATOM 241 CA TRP A 18 -11.736 4.750 8.796 1.00 0.00 C ATOM 242 C TRP A 18 -10.504 5.494 9.364 1.00 0.00 C ATOM 243 O TRP A 18 -10.335 6.677 9.073 1.00 0.00 O ATOM 244 CB TRP A 18 -12.892 4.741 9.810 1.00 0.00 C ATOM 245 CG TRP A 18 -12.587 4.158 11.159 1.00 0.00 C ATOM 246 CD1 TRP A 18 -12.776 2.871 11.532 1.00 0.00 C ATOM 247 CD2 TRP A 18 -12.015 4.828 12.326 1.00 0.00 C ATOM 248 NE1 TRP A 18 -12.355 2.696 12.838 1.00 0.00 N ATOM 249 CE2 TRP A 18 -11.855 3.865 13.369 1.00 0.00 C ATOM 250 CE3 TRP A 18 -11.591 6.149 12.598 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -11.288 4.192 14.610 1.00 0.00 C ATOM 252 CZ3 TRP A 18 -11.007 6.482 13.836 1.00 0.00 C ATOM 253 CH2 TRP A 18 -10.847 5.507 14.838 1.00 0.00 C ATOM 0 H TRP A 18 -12.120 2.688 8.714 1.00 0.00 H new ATOM 0 HA TRP A 18 -12.031 5.302 7.904 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -13.233 5.767 9.950 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -13.723 4.185 9.377 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -13.193 2.097 10.905 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -12.408 1.812 13.345 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -11.717 6.914 11.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -11.192 3.442 15.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.679 7.495 14.018 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -10.387 5.768 15.779 1.00 0.00 H new ATOM 264 N ASN A 19 -9.600 4.830 10.105 1.00 0.00 N ATOM 265 CA ASN A 19 -8.443 5.470 10.758 1.00 0.00 C ATOM 266 C ASN A 19 -7.144 5.471 9.924 1.00 0.00 C ATOM 267 O ASN A 19 -6.263 6.298 10.167 1.00 0.00 O ATOM 268 CB ASN A 19 -8.209 4.790 12.117 1.00 0.00 C ATOM 269 CG ASN A 19 -7.322 5.630 13.024 1.00 0.00 C ATOM 270 OD1 ASN A 19 -7.658 6.754 13.387 1.00 0.00 O ATOM 271 ND2 ASN A 19 -6.169 5.132 13.398 1.00 0.00 N ATOM 0 H ASN A 19 -9.652 3.825 10.269 1.00 0.00 H new ATOM 0 HA ASN A 19 -8.695 6.524 10.877 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.167 4.616 12.606 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.749 3.814 11.961 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.546 5.678 13.993 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.894 4.198 13.094 1.00 0.00 H new ATOM 278 N THR A 20 -7.001 4.548 8.967 1.00 0.00 N ATOM 279 CA THR A 20 -5.780 4.378 8.152 1.00 0.00 C ATOM 280 C THR A 20 -5.804 5.214 6.869 1.00 0.00 C ATOM 281 O THR A 20 -6.875 5.442 6.297 1.00 0.00 O ATOM 282 CB THR A 20 -5.518 2.908 7.770 1.00 0.00 C ATOM 283 OG1 THR A 20 -6.302 1.982 8.497 1.00 0.00 O ATOM 284 CG2 THR A 20 -4.043 2.540 7.923 1.00 0.00 C ATOM 0 H THR A 20 -7.738 3.885 8.728 1.00 0.00 H new ATOM 0 HA THR A 20 -4.972 4.730 8.794 1.00 0.00 H new ATOM 0 HB THR A 20 -5.811 2.837 6.723 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.014 1.974 9.434 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.898 1.496 7.645 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.440 3.176 7.275 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.737 2.685 8.959 1.00 0.00 H new ATOM 292 N ASP A 21 -4.637 5.634 6.369 1.00 0.00 N ATOM 293 CA ASP A 21 -4.506 6.372 5.104 1.00 0.00 C ATOM 294 C ASP A 21 -3.174 6.142 4.349 1.00 0.00 C ATOM 295 O ASP A 21 -2.323 5.373 4.804 1.00 0.00 O ATOM 296 CB ASP A 21 -4.758 7.866 5.373 1.00 0.00 C ATOM 297 CG ASP A 21 -3.605 8.624 6.041 1.00 0.00 C ATOM 298 OD1 ASP A 21 -2.793 8.027 6.790 1.00 0.00 O ATOM 299 OD2 ASP A 21 -3.536 9.852 5.804 1.00 0.00 O ATOM 0 H ASP A 21 -3.745 5.470 6.836 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.260 5.974 4.425 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.988 8.353 4.426 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.643 7.959 6.003 1.00 0.00 H new ATOM 304 N ASP A 22 -2.966 6.819 3.203 1.00 0.00 N ATOM 305 CA ASP A 22 -1.720 6.708 2.419 1.00 0.00 C ATOM 306 C ASP A 22 -0.477 7.151 3.211 1.00 0.00 C ATOM 307 O ASP A 22 0.584 6.539 3.086 1.00 0.00 O ATOM 308 CB ASP A 22 -1.767 7.463 1.065 1.00 0.00 C ATOM 309 CG ASP A 22 -2.045 8.970 1.130 1.00 0.00 C ATOM 310 OD1 ASP A 22 -2.905 9.419 1.921 1.00 0.00 O ATOM 311 OD2 ASP A 22 -1.391 9.727 0.369 1.00 0.00 O ATOM 0 H ASP A 22 -3.652 7.455 2.796 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.636 5.643 2.203 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.814 7.314 0.558 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.534 7.001 0.444 1.00 0.00 H new ATOM 316 N ARG A 23 -0.601 8.168 4.077 1.00 0.00 N ATOM 317 CA ARG A 23 0.503 8.613 4.944 1.00 0.00 C ATOM 318 C ARG A 23 0.838 7.592 6.039 1.00 0.00 C ATOM 319 O ARG A 23 1.978 7.552 6.504 1.00 0.00 O ATOM 320 CB ARG A 23 0.195 10.015 5.512 1.00 0.00 C ATOM 321 CG ARG A 23 1.453 10.861 5.781 1.00 0.00 C ATOM 322 CD ARG A 23 1.784 11.792 4.606 1.00 0.00 C ATOM 323 NE ARG A 23 2.121 11.055 3.369 1.00 0.00 N ATOM 324 CZ ARG A 23 1.296 10.736 2.386 1.00 0.00 C ATOM 325 NH1 ARG A 23 0.090 11.204 2.262 1.00 0.00 N ATOM 326 NH2 ARG A 23 1.666 9.896 1.479 1.00 0.00 N ATOM 0 H ARG A 23 -1.462 8.702 4.197 1.00 0.00 H new ATOM 0 HA ARG A 23 1.405 8.686 4.336 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.448 10.548 4.812 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.365 9.907 6.441 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.304 11.455 6.683 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.300 10.201 5.970 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.932 12.445 4.414 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.621 12.433 4.881 1.00 0.00 H new ATOM 0 HE ARG A 23 3.092 10.762 3.263 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.275 11.862 2.950 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.492 10.913 1.476 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.595 9.478 1.520 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.029 9.650 0.721 1.00 0.00 H new ATOM 340 N GLY A 24 -0.112 6.742 6.438 1.00 0.00 N ATOM 341 CA GLY A 24 0.114 5.642 7.381 1.00 0.00 C ATOM 342 C GLY A 24 0.887 4.472 6.768 1.00 0.00 C ATOM 343 O GLY A 24 1.816 3.961 7.397 1.00 0.00 O ATOM 0 H GLY A 24 -1.076 6.799 6.110 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.662 6.019 8.244 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.848 5.282 7.747 1.00 0.00 H new ATOM 347 N LEU A 25 0.553 4.109 5.523 1.00 0.00 N ATOM 348 CA LEU A 25 1.347 3.182 4.701 1.00 0.00 C ATOM 349 C LEU A 25 2.774 3.708 4.477 1.00 0.00 C ATOM 350 O LEU A 25 3.742 2.979 4.678 1.00 0.00 O ATOM 351 CB LEU A 25 0.659 2.967 3.337 1.00 0.00 C ATOM 352 CG LEU A 25 -0.656 2.172 3.374 1.00 0.00 C ATOM 353 CD1 LEU A 25 -1.364 2.322 2.026 1.00 0.00 C ATOM 354 CD2 LEU A 25 -0.406 0.683 3.636 1.00 0.00 C ATOM 0 H LEU A 25 -0.284 4.453 5.052 1.00 0.00 H new ATOM 0 HA LEU A 25 1.412 2.235 5.237 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.461 3.942 2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.356 2.451 2.676 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.270 2.565 4.184 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.299 1.761 2.042 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.576 3.375 1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.723 1.936 1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.358 0.152 3.655 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.221 0.274 2.844 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.097 0.562 4.596 1.00 0.00 H new ATOM 366 N GLU A 26 2.918 4.981 4.102 1.00 0.00 N ATOM 367 CA GLU A 26 4.226 5.587 3.830 1.00 0.00 C ATOM 368 C GLU A 26 5.151 5.549 5.059 1.00 0.00 C ATOM 369 O GLU A 26 6.286 5.077 4.966 1.00 0.00 O ATOM 370 CB GLU A 26 4.016 7.019 3.319 1.00 0.00 C ATOM 371 CG GLU A 26 5.323 7.649 2.829 1.00 0.00 C ATOM 372 CD GLU A 26 5.089 9.071 2.313 1.00 0.00 C ATOM 373 OE1 GLU A 26 4.286 9.266 1.376 1.00 0.00 O ATOM 374 OE2 GLU A 26 5.699 10.016 2.866 1.00 0.00 O ATOM 0 H GLU A 26 2.133 5.621 3.978 1.00 0.00 H new ATOM 0 HA GLU A 26 4.731 5.002 3.061 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.290 7.011 2.506 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.595 7.631 4.117 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.048 7.669 3.642 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.751 7.036 2.035 1.00 0.00 H new ATOM 381 N ALA A 27 4.658 5.962 6.231 1.00 0.00 N ATOM 382 CA ALA A 27 5.465 5.990 7.450 1.00 0.00 C ATOM 383 C ALA A 27 5.798 4.593 8.006 1.00 0.00 C ATOM 384 O ALA A 27 6.816 4.423 8.687 1.00 0.00 O ATOM 385 CB ALA A 27 4.724 6.842 8.480 1.00 0.00 C ATOM 0 H ALA A 27 3.698 6.283 6.359 1.00 0.00 H new ATOM 0 HA ALA A 27 6.435 6.426 7.212 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.303 6.882 9.403 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.592 7.851 8.090 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.748 6.401 8.682 1.00 0.00 H new ATOM 391 N ALA A 28 4.995 3.573 7.688 1.00 0.00 N ATOM 392 CA ALA A 28 5.335 2.183 7.982 1.00 0.00 C ATOM 393 C ALA A 28 6.534 1.696 7.148 1.00 0.00 C ATOM 394 O ALA A 28 7.436 1.060 7.693 1.00 0.00 O ATOM 395 CB ALA A 28 4.098 1.311 7.750 1.00 0.00 C ATOM 0 H ALA A 28 4.095 3.690 7.222 1.00 0.00 H new ATOM 0 HA ALA A 28 5.640 2.106 9.026 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.340 0.271 7.967 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.293 1.640 8.406 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.779 1.401 6.712 1.00 0.00 H new ATOM 401 N PHE A 29 6.577 2.011 5.847 1.00 0.00 N ATOM 402 CA PHE A 29 7.543 1.422 4.908 1.00 0.00 C ATOM 403 C PHE A 29 8.729 2.308 4.465 1.00 0.00 C ATOM 404 O PHE A 29 9.630 1.806 3.792 1.00 0.00 O ATOM 405 CB PHE A 29 6.780 0.746 3.758 1.00 0.00 C ATOM 406 CG PHE A 29 5.999 -0.468 4.239 1.00 0.00 C ATOM 407 CD1 PHE A 29 6.668 -1.688 4.452 1.00 0.00 C ATOM 408 CD2 PHE A 29 4.631 -0.367 4.561 1.00 0.00 C ATOM 409 CE1 PHE A 29 5.994 -2.782 5.022 1.00 0.00 C ATOM 410 CE2 PHE A 29 3.952 -1.463 5.122 1.00 0.00 C ATOM 411 CZ PHE A 29 4.636 -2.669 5.361 1.00 0.00 C ATOM 0 H PHE A 29 5.942 2.682 5.414 1.00 0.00 H new ATOM 0 HA PHE A 29 8.090 0.665 5.470 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.096 1.463 3.304 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.484 0.443 2.983 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.707 -1.784 4.175 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.102 0.556 4.376 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.520 -3.708 5.199 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.904 -1.379 5.370 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.118 -3.506 5.804 1.00 0.00 H new ATOM 421 N SER A 30 8.807 3.581 4.874 1.00 0.00 N ATOM 422 CA SER A 30 9.860 4.530 4.441 1.00 0.00 C ATOM 423 C SER A 30 11.327 4.124 4.720 1.00 0.00 C ATOM 424 O SER A 30 12.242 4.753 4.181 1.00 0.00 O ATOM 425 CB SER A 30 9.606 5.920 5.038 1.00 0.00 C ATOM 426 OG SER A 30 9.822 5.913 6.439 1.00 0.00 O ATOM 0 H SER A 30 8.136 3.993 5.523 1.00 0.00 H new ATOM 0 HA SER A 30 9.769 4.526 3.355 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.266 6.649 4.567 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.583 6.231 4.825 1.00 0.00 H new ATOM 0 HG SER A 30 9.656 6.809 6.800 1.00 0.00 H new ATOM 432 N SER A 31 11.596 3.150 5.606 1.00 0.00 N ATOM 433 CA SER A 31 12.946 2.595 5.851 1.00 0.00 C ATOM 434 C SER A 31 13.322 1.406 4.940 1.00 0.00 C ATOM 435 O SER A 31 14.500 1.051 4.825 1.00 0.00 O ATOM 436 CB SER A 31 13.100 2.230 7.332 1.00 0.00 C ATOM 437 OG SER A 31 14.465 2.205 7.704 1.00 0.00 O ATOM 0 H SER A 31 10.874 2.717 6.182 1.00 0.00 H new ATOM 0 HA SER A 31 13.653 3.382 5.589 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.564 2.953 7.947 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.649 1.255 7.520 1.00 0.00 H new ATOM 0 HG SER A 31 14.992 1.797 6.986 1.00 0.00 H new ATOM 443 N PHE A 32 12.357 0.805 4.230 1.00 0.00 N ATOM 444 CA PHE A 32 12.647 -0.156 3.153 1.00 0.00 C ATOM 445 C PHE A 32 13.146 0.563 1.890 1.00 0.00 C ATOM 446 O PHE A 32 13.994 0.026 1.179 1.00 0.00 O ATOM 447 CB PHE A 32 11.420 -1.028 2.850 1.00 0.00 C ATOM 448 CG PHE A 32 11.011 -1.962 3.976 1.00 0.00 C ATOM 449 CD1 PHE A 32 10.178 -1.497 5.011 1.00 0.00 C ATOM 450 CD2 PHE A 32 11.455 -3.299 3.994 1.00 0.00 C ATOM 451 CE1 PHE A 32 9.763 -2.362 6.039 1.00 0.00 C ATOM 452 CE2 PHE A 32 11.055 -4.160 5.032 1.00 0.00 C ATOM 453 CZ PHE A 32 10.205 -3.695 6.051 1.00 0.00 C ATOM 0 H PHE A 32 11.362 0.968 4.383 1.00 0.00 H new ATOM 0 HA PHE A 32 13.446 -0.814 3.495 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.579 -0.377 2.612 1.00 0.00 H new ATOM 0 HB3 PHE A 32 11.625 -1.622 1.960 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.855 -0.467 5.016 1.00 0.00 H new ATOM 0 HD2 PHE A 32 12.103 -3.663 3.210 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.106 -2.002 6.817 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.402 -5.183 5.046 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.893 -4.362 6.841 1.00 0.00 H new ATOM 463 N GLY A 33 12.684 1.796 1.655 1.00 0.00 N ATOM 464 CA GLY A 33 13.222 2.716 0.653 1.00 0.00 C ATOM 465 C GLY A 33 12.435 4.026 0.559 1.00 0.00 C ATOM 466 O GLY A 33 11.349 4.156 1.124 1.00 0.00 O ATOM 0 H GLY A 33 11.900 2.191 2.175 1.00 0.00 H new ATOM 0 HA2 GLY A 33 14.261 2.940 0.894 1.00 0.00 H new ATOM 0 HA3 GLY A 33 13.219 2.226 -0.321 1.00 0.00 H new ATOM 470 N GLU A 34 12.982 4.992 -0.178 1.00 0.00 N ATOM 471 CA GLU A 34 12.313 6.253 -0.514 1.00 0.00 C ATOM 472 C GLU A 34 11.082 6.024 -1.407 1.00 0.00 C ATOM 473 O GLU A 34 11.055 5.122 -2.254 1.00 0.00 O ATOM 474 CB GLU A 34 13.320 7.223 -1.157 1.00 0.00 C ATOM 475 CG GLU A 34 12.764 8.614 -1.511 1.00 0.00 C ATOM 476 CD GLU A 34 12.283 9.415 -0.295 1.00 0.00 C ATOM 477 OE1 GLU A 34 11.180 9.134 0.229 1.00 0.00 O ATOM 478 OE2 GLU A 34 12.990 10.366 0.123 1.00 0.00 O ATOM 0 H GLU A 34 13.922 4.921 -0.567 1.00 0.00 H new ATOM 0 HA GLU A 34 11.942 6.705 0.406 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.162 7.350 -0.476 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.711 6.765 -2.066 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.537 9.184 -2.027 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.935 8.497 -2.209 1.00 0.00 H new ATOM 485 N ILE A 35 10.064 6.860 -1.199 1.00 0.00 N ATOM 486 CA ILE A 35 8.720 6.706 -1.751 1.00 0.00 C ATOM 487 C ILE A 35 8.495 7.591 -2.984 1.00 0.00 C ATOM 488 O ILE A 35 8.978 8.728 -3.056 1.00 0.00 O ATOM 489 CB ILE A 35 7.688 6.947 -0.624 1.00 0.00 C ATOM 490 CG1 ILE A 35 6.378 6.166 -0.834 1.00 0.00 C ATOM 491 CG2 ILE A 35 7.391 8.441 -0.432 1.00 0.00 C ATOM 492 CD1 ILE A 35 6.560 4.669 -0.550 1.00 0.00 C ATOM 0 H ILE A 35 10.158 7.694 -0.619 1.00 0.00 H new ATOM 0 HA ILE A 35 8.591 5.688 -2.119 1.00 0.00 H new ATOM 0 HB ILE A 35 8.152 6.566 0.286 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.605 6.569 -0.180 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.033 6.303 -1.859 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.662 8.567 0.368 1.00 0.00 H new ATOM 0 HG22 ILE A 35 8.311 8.964 -0.171 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.989 8.854 -1.357 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.614 4.151 -0.709 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.315 4.260 -1.222 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.880 4.531 0.483 1.00 0.00 H new ATOM 504 N LEU A 36 7.707 7.084 -3.932 1.00 0.00 N ATOM 505 CA LEU A 36 7.327 7.767 -5.168 1.00 0.00 C ATOM 506 C LEU A 36 5.865 8.250 -5.154 1.00 0.00 C ATOM 507 O LEU A 36 5.615 9.378 -5.579 1.00 0.00 O ATOM 508 CB LEU A 36 7.630 6.828 -6.351 1.00 0.00 C ATOM 509 CG LEU A 36 7.555 7.504 -7.732 1.00 0.00 C ATOM 510 CD1 LEU A 36 8.716 8.476 -7.941 1.00 0.00 C ATOM 511 CD2 LEU A 36 7.629 6.448 -8.832 1.00 0.00 C ATOM 0 H LEU A 36 7.301 6.151 -3.857 1.00 0.00 H new ATOM 0 HA LEU A 36 7.916 8.678 -5.271 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.627 6.407 -6.219 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.927 5.996 -6.328 1.00 0.00 H new ATOM 0 HG LEU A 36 6.612 8.049 -7.776 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.633 8.936 -8.926 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.684 9.251 -7.175 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.660 7.936 -7.872 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.575 6.933 -9.807 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.569 5.902 -8.750 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.796 5.753 -8.726 1.00 0.00 H new ATOM 523 N ASP A 37 4.920 7.430 -4.670 1.00 0.00 N ATOM 524 CA ASP A 37 3.504 7.784 -4.428 1.00 0.00 C ATOM 525 C ASP A 37 2.778 6.698 -3.601 1.00 0.00 C ATOM 526 O ASP A 37 3.241 5.556 -3.547 1.00 0.00 O ATOM 527 CB ASP A 37 2.751 8.048 -5.757 1.00 0.00 C ATOM 528 CG ASP A 37 2.044 6.850 -6.390 1.00 0.00 C ATOM 529 OD1 ASP A 37 0.891 6.545 -6.009 1.00 0.00 O ATOM 530 OD2 ASP A 37 2.605 6.246 -7.336 1.00 0.00 O ATOM 0 H ASP A 37 5.125 6.461 -4.425 1.00 0.00 H new ATOM 0 HA ASP A 37 3.502 8.706 -3.847 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.010 8.827 -5.580 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.464 8.445 -6.480 1.00 0.00 H new ATOM 535 N ALA A 38 1.616 7.015 -3.014 1.00 0.00 N ATOM 536 CA ALA A 38 0.655 6.016 -2.556 1.00 0.00 C ATOM 537 C ALA A 38 -0.791 6.477 -2.827 1.00 0.00 C ATOM 538 O ALA A 38 -1.089 7.675 -2.800 1.00 0.00 O ATOM 539 CB ALA A 38 0.921 5.714 -1.077 1.00 0.00 C ATOM 0 H ALA A 38 1.320 7.976 -2.845 1.00 0.00 H new ATOM 0 HA ALA A 38 0.780 5.089 -3.116 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.208 4.968 -0.724 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.935 5.331 -0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.809 6.628 -0.493 1.00 0.00 H new ATOM 545 N LYS A 39 -1.679 5.510 -3.079 1.00 0.00 N ATOM 546 CA LYS A 39 -3.126 5.658 -3.298 1.00 0.00 C ATOM 547 C LYS A 39 -3.884 5.195 -2.058 1.00 0.00 C ATOM 548 O LYS A 39 -3.585 4.136 -1.515 1.00 0.00 O ATOM 549 CB LYS A 39 -3.524 4.845 -4.549 1.00 0.00 C ATOM 550 CG LYS A 39 -5.027 4.645 -4.853 1.00 0.00 C ATOM 551 CD LYS A 39 -5.698 5.922 -5.374 1.00 0.00 C ATOM 552 CE LYS A 39 -7.070 5.577 -5.962 1.00 0.00 C ATOM 553 NZ LYS A 39 -7.629 6.712 -6.726 1.00 0.00 N ATOM 0 H LYS A 39 -1.388 4.534 -3.140 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.383 6.703 -3.468 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.072 5.328 -5.415 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.070 3.858 -4.461 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.142 3.851 -5.591 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.536 4.315 -3.948 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.809 6.643 -4.564 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.072 6.390 -6.134 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.981 4.707 -6.613 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.754 5.305 -5.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.558 6.447 -7.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.736 7.534 -6.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.987 6.955 -7.507 1.00 0.00 H new ATOM 567 N ILE A 40 -4.916 5.936 -1.675 1.00 0.00 N ATOM 568 CA ILE A 40 -5.949 5.514 -0.720 1.00 0.00 C ATOM 569 C ILE A 40 -7.331 5.742 -1.337 1.00 0.00 C ATOM 570 O ILE A 40 -7.541 6.758 -2.005 1.00 0.00 O ATOM 571 CB ILE A 40 -5.743 6.213 0.645 1.00 0.00 C ATOM 572 CG1 ILE A 40 -6.810 5.800 1.684 1.00 0.00 C ATOM 573 CG2 ILE A 40 -5.592 7.743 0.551 1.00 0.00 C ATOM 574 CD1 ILE A 40 -8.083 6.658 1.765 1.00 0.00 C ATOM 0 H ILE A 40 -5.068 6.880 -2.029 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.869 4.447 -0.514 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.780 5.849 1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.108 4.773 1.472 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.341 5.799 2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.452 8.157 1.550 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.728 7.986 -0.067 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.490 8.170 0.104 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.744 6.257 2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.815 7.684 2.017 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.594 6.642 0.802 1.00 0.00 H new ATOM 586 N ILE A 41 -8.271 4.808 -1.146 1.00 0.00 N ATOM 587 CA ILE A 41 -9.635 4.929 -1.686 1.00 0.00 C ATOM 588 C ILE A 41 -10.764 4.625 -0.677 1.00 0.00 C ATOM 589 O ILE A 41 -10.679 3.746 0.194 1.00 0.00 O ATOM 590 CB ILE A 41 -9.719 4.187 -3.040 1.00 0.00 C ATOM 591 CG1 ILE A 41 -10.951 4.529 -3.900 1.00 0.00 C ATOM 592 CG2 ILE A 41 -9.570 2.663 -2.914 1.00 0.00 C ATOM 593 CD1 ILE A 41 -11.026 5.998 -4.331 1.00 0.00 C ATOM 0 H ILE A 41 -8.111 3.951 -0.616 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.831 5.982 -1.887 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.852 4.575 -3.574 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.945 3.900 -4.790 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -11.852 4.280 -3.340 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.639 2.208 -3.902 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -8.602 2.427 -2.473 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.364 2.271 -2.278 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.921 6.156 -4.932 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.066 6.635 -3.447 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.144 6.250 -4.920 1.00 0.00 H new ATOM 715 N SER A 49 -14.999 3.379 3.806 1.00 0.00 N ATOM 716 CA SER A 49 -13.661 2.957 3.387 1.00 0.00 C ATOM 717 C SER A 49 -13.728 1.809 2.371 1.00 0.00 C ATOM 718 O SER A 49 -14.529 0.886 2.532 1.00 0.00 O ATOM 719 CB SER A 49 -12.852 2.565 4.632 1.00 0.00 C ATOM 720 OG SER A 49 -12.926 3.605 5.594 1.00 0.00 O ATOM 0 HA SER A 49 -13.162 3.785 2.884 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.240 1.638 5.053 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.813 2.381 4.360 1.00 0.00 H new ATOM 0 HG SER A 49 -13.729 4.143 5.433 1.00 0.00 H new ATOM 726 N ARG A 50 -12.878 1.821 1.333 1.00 0.00 N ATOM 727 CA ARG A 50 -12.627 0.615 0.510 1.00 0.00 C ATOM 728 C ARG A 50 -11.647 -0.303 1.228 1.00 0.00 C ATOM 729 O ARG A 50 -11.857 -1.515 1.289 1.00 0.00 O ATOM 730 CB ARG A 50 -12.115 0.975 -0.894 1.00 0.00 C ATOM 731 CG ARG A 50 -13.070 1.865 -1.703 1.00 0.00 C ATOM 732 CD ARG A 50 -14.410 1.227 -2.060 1.00 0.00 C ATOM 733 NE ARG A 50 -14.270 0.073 -2.966 1.00 0.00 N ATOM 734 CZ ARG A 50 -14.952 -1.061 -2.967 1.00 0.00 C ATOM 735 NH1 ARG A 50 -15.709 -1.457 -1.981 1.00 0.00 N ATOM 736 NH2 ARG A 50 -14.868 -1.849 -3.997 1.00 0.00 N ATOM 0 H ARG A 50 -12.353 2.645 1.040 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.574 0.092 0.377 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.155 1.483 -0.799 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.935 0.055 -1.450 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.260 2.776 -1.136 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.570 2.162 -2.625 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.910 0.907 -1.146 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -15.050 1.975 -2.528 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.553 0.160 -3.687 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.801 -0.880 -1.145 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -16.209 -2.344 -2.046 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.282 -1.590 -4.791 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -15.388 -2.726 -4.012 1.00 0.00 H new ATOM 750 N GLY A 51 -10.644 0.305 1.859 1.00 0.00 N ATOM 751 CA GLY A 51 -9.704 -0.364 2.764 1.00 0.00 C ATOM 752 C GLY A 51 -8.452 -0.925 2.079 1.00 0.00 C ATOM 753 O GLY A 51 -7.750 -1.778 2.623 1.00 0.00 O ATOM 0 H GLY A 51 -10.456 1.302 1.754 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.395 0.343 3.534 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.223 -1.179 3.269 1.00 0.00 H new ATOM 757 N PHE A 52 -8.151 -0.433 0.883 1.00 0.00 N ATOM 758 CA PHE A 52 -6.977 -0.806 0.102 1.00 0.00 C ATOM 759 C PHE A 52 -6.451 0.387 -0.707 1.00 0.00 C ATOM 760 O PHE A 52 -7.057 1.463 -0.735 1.00 0.00 O ATOM 761 CB PHE A 52 -7.310 -2.018 -0.791 1.00 0.00 C ATOM 762 CG PHE A 52 -8.541 -1.878 -1.676 1.00 0.00 C ATOM 763 CD1 PHE A 52 -8.523 -1.030 -2.802 1.00 0.00 C ATOM 764 CD2 PHE A 52 -9.706 -2.616 -1.385 1.00 0.00 C ATOM 765 CE1 PHE A 52 -9.663 -0.910 -3.615 1.00 0.00 C ATOM 766 CE2 PHE A 52 -10.843 -2.498 -2.207 1.00 0.00 C ATOM 767 CZ PHE A 52 -10.823 -1.643 -3.319 1.00 0.00 C ATOM 0 H PHE A 52 -8.736 0.259 0.415 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.174 -1.099 0.778 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.450 -2.221 -1.429 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.445 -2.890 -0.151 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.630 -0.471 -3.041 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.727 -3.274 -0.529 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.647 -0.251 -4.471 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.733 -3.067 -1.981 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.698 -1.549 -3.946 1.00 0.00 H new ATOM 777 N GLY A 53 -5.322 0.174 -1.375 1.00 0.00 N ATOM 778 CA GLY A 53 -4.785 1.078 -2.381 1.00 0.00 C ATOM 779 C GLY A 53 -3.545 0.512 -3.067 1.00 0.00 C ATOM 780 O GLY A 53 -3.272 -0.687 -3.006 1.00 0.00 O ATOM 0 H GLY A 53 -4.743 -0.652 -1.227 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.551 1.281 -3.130 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.536 2.031 -1.914 1.00 0.00 H new ATOM 784 N PHE A 54 -2.785 1.395 -3.710 1.00 0.00 N ATOM 785 CA PHE A 54 -1.472 1.117 -4.297 1.00 0.00 C ATOM 786 C PHE A 54 -0.359 1.872 -3.555 1.00 0.00 C ATOM 787 O PHE A 54 -0.605 2.915 -2.950 1.00 0.00 O ATOM 788 CB PHE A 54 -1.474 1.457 -5.797 1.00 0.00 C ATOM 789 CG PHE A 54 -2.483 0.702 -6.645 1.00 0.00 C ATOM 790 CD1 PHE A 54 -2.379 -0.695 -6.792 1.00 0.00 C ATOM 791 CD2 PHE A 54 -3.497 1.398 -7.332 1.00 0.00 C ATOM 792 CE1 PHE A 54 -3.288 -1.392 -7.609 1.00 0.00 C ATOM 793 CE2 PHE A 54 -4.405 0.702 -8.148 1.00 0.00 C ATOM 794 CZ PHE A 54 -4.302 -0.692 -8.287 1.00 0.00 C ATOM 0 H PHE A 54 -3.077 2.363 -3.843 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.268 0.052 -4.189 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.661 2.525 -5.908 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.478 1.265 -6.195 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.598 -1.233 -6.275 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.577 2.470 -7.231 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.207 -2.464 -7.715 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.183 1.240 -8.669 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.001 -1.226 -8.914 1.00 0.00 H new ATOM 804 N VAL A 55 0.879 1.383 -3.629 1.00 0.00 N ATOM 805 CA VAL A 55 2.079 2.052 -3.103 1.00 0.00 C ATOM 806 C VAL A 55 3.276 1.848 -4.039 1.00 0.00 C ATOM 807 O VAL A 55 3.414 0.799 -4.675 1.00 0.00 O ATOM 808 CB VAL A 55 2.344 1.625 -1.642 1.00 0.00 C ATOM 809 CG1 VAL A 55 2.634 0.132 -1.471 1.00 0.00 C ATOM 810 CG2 VAL A 55 3.496 2.409 -1.006 1.00 0.00 C ATOM 0 H VAL A 55 1.085 0.486 -4.068 1.00 0.00 H new ATOM 0 HA VAL A 55 1.909 3.128 -3.075 1.00 0.00 H new ATOM 0 HB VAL A 55 1.408 1.853 -1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.809 -0.086 -0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.781 -0.447 -1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.519 -0.135 -2.049 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.643 2.072 0.020 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.409 2.241 -1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.257 3.473 -1.008 1.00 0.00 H new ATOM 820 N SER A 56 4.118 2.878 -4.147 1.00 0.00 N ATOM 821 CA SER A 56 5.176 3.013 -5.157 1.00 0.00 C ATOM 822 C SER A 56 6.488 3.460 -4.507 1.00 0.00 C ATOM 823 O SER A 56 6.540 4.529 -3.900 1.00 0.00 O ATOM 824 CB SER A 56 4.768 4.074 -6.192 1.00 0.00 C ATOM 825 OG SER A 56 3.433 3.915 -6.620 1.00 0.00 O ATOM 0 H SER A 56 4.082 3.673 -3.509 1.00 0.00 H new ATOM 0 HA SER A 56 5.316 2.043 -5.635 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.894 5.067 -5.761 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.434 4.014 -7.053 1.00 0.00 H new ATOM 0 HG SER A 56 3.163 4.697 -7.146 1.00 0.00 H new ATOM 831 N PHE A 57 7.564 2.690 -4.676 1.00 0.00 N ATOM 832 CA PHE A 57 8.928 3.098 -4.300 1.00 0.00 C ATOM 833 C PHE A 57 9.640 3.772 -5.481 1.00 0.00 C ATOM 834 O PHE A 57 9.201 3.631 -6.626 1.00 0.00 O ATOM 835 CB PHE A 57 9.715 1.883 -3.785 1.00 0.00 C ATOM 836 CG PHE A 57 9.156 1.291 -2.506 1.00 0.00 C ATOM 837 CD1 PHE A 57 9.533 1.829 -1.259 1.00 0.00 C ATOM 838 CD2 PHE A 57 8.242 0.221 -2.557 1.00 0.00 C ATOM 839 CE1 PHE A 57 9.005 1.294 -0.070 1.00 0.00 C ATOM 840 CE2 PHE A 57 7.711 -0.313 -1.370 1.00 0.00 C ATOM 841 CZ PHE A 57 8.094 0.223 -0.127 1.00 0.00 C ATOM 0 H PHE A 57 7.518 1.755 -5.081 1.00 0.00 H new ATOM 0 HA PHE A 57 8.870 3.831 -3.496 1.00 0.00 H new ATOM 0 HB2 PHE A 57 9.724 1.114 -4.557 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.751 2.177 -3.616 1.00 0.00 H new ATOM 0 HD1 PHE A 57 10.229 2.654 -1.216 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.948 -0.191 -3.511 1.00 0.00 H new ATOM 0 HE1 PHE A 57 9.298 1.704 0.885 1.00 0.00 H new ATOM 0 HE2 PHE A 57 7.010 -1.134 -1.412 1.00 0.00 H new ATOM 0 HZ PHE A 57 7.688 -0.188 0.785 1.00 0.00 H new ATOM 851 N SER A 58 10.743 4.484 -5.225 1.00 0.00 N ATOM 852 CA SER A 58 11.574 5.101 -6.275 1.00 0.00 C ATOM 853 C SER A 58 12.755 4.228 -6.753 1.00 0.00 C ATOM 854 O SER A 58 13.409 4.586 -7.739 1.00 0.00 O ATOM 855 CB SER A 58 12.005 6.512 -5.848 1.00 0.00 C ATOM 856 OG SER A 58 12.871 6.488 -4.733 1.00 0.00 O ATOM 0 H SER A 58 11.089 4.652 -4.280 1.00 0.00 H new ATOM 0 HA SER A 58 10.946 5.186 -7.162 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.502 7.007 -6.682 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.121 7.103 -5.608 1.00 0.00 H new ATOM 0 HG SER A 58 12.399 6.114 -3.960 1.00 0.00 H new ATOM 862 N ASN A 59 13.016 3.073 -6.120 1.00 0.00 N ATOM 863 CA ASN A 59 14.080 2.120 -6.484 1.00 0.00 C ATOM 864 C ASN A 59 13.616 0.646 -6.427 1.00 0.00 C ATOM 865 O ASN A 59 12.703 0.282 -5.685 1.00 0.00 O ATOM 866 CB ASN A 59 15.311 2.334 -5.582 1.00 0.00 C ATOM 867 CG ASN A 59 15.932 3.710 -5.739 1.00 0.00 C ATOM 868 OD1 ASN A 59 16.848 3.926 -6.526 1.00 0.00 O ATOM 869 ND2 ASN A 59 15.457 4.679 -4.999 1.00 0.00 N ATOM 0 H ASN A 59 12.474 2.765 -5.313 1.00 0.00 H new ATOM 0 HA ASN A 59 14.346 2.320 -7.522 1.00 0.00 H new ATOM 0 HB2 ASN A 59 15.021 2.189 -4.541 1.00 0.00 H new ATOM 0 HB3 ASN A 59 16.059 1.576 -5.813 1.00 0.00 H new ATOM 0 HD21 ASN A 59 15.848 5.618 -5.075 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.695 4.496 -4.346 1.00 0.00 H new ATOM 876 N GLU A 60 14.280 -0.212 -7.206 1.00 0.00 N ATOM 877 CA GLU A 60 13.843 -1.589 -7.498 1.00 0.00 C ATOM 878 C GLU A 60 14.121 -2.582 -6.354 1.00 0.00 C ATOM 879 O GLU A 60 13.213 -3.290 -5.914 1.00 0.00 O ATOM 880 CB GLU A 60 14.480 -2.119 -8.803 1.00 0.00 C ATOM 881 CG GLU A 60 14.608 -1.111 -9.957 1.00 0.00 C ATOM 882 CD GLU A 60 15.895 -0.282 -9.840 1.00 0.00 C ATOM 883 OE1 GLU A 60 16.978 -0.772 -10.235 1.00 0.00 O ATOM 884 OE2 GLU A 60 15.861 0.864 -9.332 1.00 0.00 O ATOM 0 H GLU A 60 15.158 0.033 -7.664 1.00 0.00 H new ATOM 0 HA GLU A 60 12.761 -1.524 -7.616 1.00 0.00 H new ATOM 0 HB2 GLU A 60 15.474 -2.499 -8.569 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.890 -2.966 -9.152 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.602 -1.643 -10.908 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.744 -0.446 -9.958 1.00 0.00 H new ATOM 891 N GLN A 61 15.358 -2.621 -5.839 1.00 0.00 N ATOM 892 CA GLN A 61 15.764 -3.541 -4.762 1.00 0.00 C ATOM 893 C GLN A 61 14.941 -3.317 -3.482 1.00 0.00 C ATOM 894 O GLN A 61 14.581 -4.279 -2.797 1.00 0.00 O ATOM 895 CB GLN A 61 17.256 -3.346 -4.441 1.00 0.00 C ATOM 896 CG GLN A 61 18.208 -3.866 -5.533 1.00 0.00 C ATOM 897 CD GLN A 61 19.675 -3.533 -5.246 1.00 0.00 C ATOM 898 OE1 GLN A 61 20.029 -2.935 -4.235 1.00 0.00 O ATOM 899 NE2 GLN A 61 20.585 -3.895 -6.121 1.00 0.00 N ATOM 0 H GLN A 61 16.111 -2.012 -6.159 1.00 0.00 H new ATOM 0 HA GLN A 61 15.584 -4.557 -5.113 1.00 0.00 H new ATOM 0 HB2 GLN A 61 17.447 -2.284 -4.283 1.00 0.00 H new ATOM 0 HB3 GLN A 61 17.484 -3.853 -3.504 1.00 0.00 H new ATOM 0 HG2 GLN A 61 18.096 -4.947 -5.623 1.00 0.00 H new ATOM 0 HG3 GLN A 61 17.923 -3.435 -6.493 1.00 0.00 H new ATOM 0 HE21 GLN A 61 20.309 -4.393 -6.967 1.00 0.00 H new ATOM 0 HE22 GLN A 61 21.568 -3.678 -5.954 1.00 0.00 H new ATOM 908 N ALA A 62 14.606 -2.053 -3.202 1.00 0.00 N ATOM 909 CA ALA A 62 13.751 -1.642 -2.094 1.00 0.00 C ATOM 910 C ALA A 62 12.336 -2.229 -2.204 1.00 0.00 C ATOM 911 O ALA A 62 11.817 -2.757 -1.225 1.00 0.00 O ATOM 912 CB ALA A 62 13.710 -0.109 -2.073 1.00 0.00 C ATOM 0 H ALA A 62 14.935 -1.266 -3.761 1.00 0.00 H new ATOM 0 HA ALA A 62 14.164 -2.025 -1.161 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.076 0.227 -1.252 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.719 0.280 -1.935 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.306 0.257 -3.017 1.00 0.00 H new ATOM 918 N MET A 63 11.730 -2.200 -3.398 1.00 0.00 N ATOM 919 CA MET A 63 10.375 -2.713 -3.620 1.00 0.00 C ATOM 920 C MET A 63 10.281 -4.230 -3.385 1.00 0.00 C ATOM 921 O MET A 63 9.346 -4.689 -2.731 1.00 0.00 O ATOM 922 CB MET A 63 9.910 -2.290 -5.024 1.00 0.00 C ATOM 923 CG MET A 63 8.473 -2.720 -5.350 1.00 0.00 C ATOM 924 SD MET A 63 8.330 -4.372 -6.086 1.00 0.00 S ATOM 925 CE MET A 63 6.530 -4.477 -6.254 1.00 0.00 C ATOM 0 H MET A 63 12.167 -1.819 -4.237 1.00 0.00 H new ATOM 0 HA MET A 63 9.698 -2.277 -2.886 1.00 0.00 H new ATOM 0 HB2 MET A 63 9.985 -1.206 -5.111 1.00 0.00 H new ATOM 0 HB3 MET A 63 10.585 -2.717 -5.765 1.00 0.00 H new ATOM 0 HG2 MET A 63 7.882 -2.692 -4.434 1.00 0.00 H new ATOM 0 HG3 MET A 63 8.036 -1.992 -6.034 1.00 0.00 H new ATOM 0 HE1 MET A 63 6.272 -5.331 -6.881 1.00 0.00 H new ATOM 0 HE2 MET A 63 6.079 -4.600 -5.269 1.00 0.00 H new ATOM 0 HE3 MET A 63 6.154 -3.563 -6.713 1.00 0.00 H new ATOM 935 N GLN A 64 11.265 -5.014 -3.834 1.00 0.00 N ATOM 936 CA GLN A 64 11.234 -6.471 -3.660 1.00 0.00 C ATOM 937 C GLN A 64 11.571 -6.915 -2.227 1.00 0.00 C ATOM 938 O GLN A 64 11.030 -7.920 -1.758 1.00 0.00 O ATOM 939 CB GLN A 64 12.178 -7.147 -4.659 1.00 0.00 C ATOM 940 CG GLN A 64 11.828 -6.916 -6.142 1.00 0.00 C ATOM 941 CD GLN A 64 10.570 -7.630 -6.646 1.00 0.00 C ATOM 942 OE1 GLN A 64 9.845 -8.321 -5.933 1.00 0.00 O ATOM 943 NE2 GLN A 64 10.291 -7.540 -7.926 1.00 0.00 N ATOM 0 H GLN A 64 12.092 -4.666 -4.320 1.00 0.00 H new ATOM 0 HA GLN A 64 10.208 -6.785 -3.853 1.00 0.00 H new ATOM 0 HB2 GLN A 64 13.191 -6.787 -4.480 1.00 0.00 H new ATOM 0 HB3 GLN A 64 12.182 -8.220 -4.465 1.00 0.00 H new ATOM 0 HG2 GLN A 64 11.706 -5.845 -6.305 1.00 0.00 H new ATOM 0 HG3 GLN A 64 12.674 -7.237 -6.750 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.878 -6.973 -8.537 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.487 -8.037 -8.309 1.00 0.00 H new ATOM 952 N ASP A 65 12.421 -6.175 -1.503 1.00 0.00 N ATOM 953 CA ASP A 65 12.644 -6.414 -0.069 1.00 0.00 C ATOM 954 C ASP A 65 11.448 -5.936 0.775 1.00 0.00 C ATOM 955 O ASP A 65 11.132 -6.545 1.799 1.00 0.00 O ATOM 956 CB ASP A 65 13.972 -5.774 0.381 1.00 0.00 C ATOM 957 CG ASP A 65 14.455 -6.293 1.744 1.00 0.00 C ATOM 958 OD1 ASP A 65 14.280 -7.502 2.035 1.00 0.00 O ATOM 959 OD2 ASP A 65 15.047 -5.511 2.530 1.00 0.00 O ATOM 0 H ASP A 65 12.967 -5.404 -1.887 1.00 0.00 H new ATOM 0 HA ASP A 65 12.725 -7.489 0.094 1.00 0.00 H new ATOM 0 HB2 ASP A 65 14.737 -5.972 -0.369 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.849 -4.692 0.433 1.00 0.00 H new ATOM 964 N ALA A 66 10.722 -4.908 0.318 1.00 0.00 N ATOM 965 CA ALA A 66 9.463 -4.489 0.927 1.00 0.00 C ATOM 966 C ALA A 66 8.370 -5.555 0.753 1.00 0.00 C ATOM 967 O ALA A 66 7.757 -5.926 1.746 1.00 0.00 O ATOM 968 CB ALA A 66 9.034 -3.125 0.376 1.00 0.00 C ATOM 0 H ALA A 66 10.996 -4.345 -0.487 1.00 0.00 H new ATOM 0 HA ALA A 66 9.618 -4.380 2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 66 8.094 -2.825 0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.801 -2.384 0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.901 -3.194 -0.704 1.00 0.00 H new ATOM 974 N ILE A 67 8.155 -6.117 -0.445 1.00 0.00 N ATOM 975 CA ILE A 67 7.170 -7.203 -0.665 1.00 0.00 C ATOM 976 C ILE A 67 7.493 -8.435 0.197 1.00 0.00 C ATOM 977 O ILE A 67 6.620 -8.929 0.926 1.00 0.00 O ATOM 978 CB ILE A 67 7.074 -7.543 -2.174 1.00 0.00 C ATOM 979 CG1 ILE A 67 6.421 -6.399 -2.982 1.00 0.00 C ATOM 980 CG2 ILE A 67 6.310 -8.849 -2.463 1.00 0.00 C ATOM 981 CD1 ILE A 67 4.924 -6.182 -2.724 1.00 0.00 C ATOM 0 H ILE A 67 8.653 -5.838 -1.290 1.00 0.00 H new ATOM 0 HA ILE A 67 6.188 -6.855 -0.345 1.00 0.00 H new ATOM 0 HB ILE A 67 8.108 -7.678 -2.492 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.949 -5.472 -2.759 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.564 -6.599 -4.044 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.282 -9.024 -3.539 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.815 -9.682 -1.973 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.292 -8.767 -2.082 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.564 -5.357 -3.340 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.376 -7.090 -2.977 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.767 -5.945 -1.672 1.00 0.00 H new ATOM 993 N GLU A 68 8.759 -8.879 0.184 1.00 0.00 N ATOM 994 CA GLU A 68 9.255 -9.973 1.040 1.00 0.00 C ATOM 995 C GLU A 68 9.027 -9.707 2.546 1.00 0.00 C ATOM 996 O GLU A 68 8.812 -10.648 3.319 1.00 0.00 O ATOM 997 CB GLU A 68 10.753 -10.186 0.744 1.00 0.00 C ATOM 998 CG GLU A 68 11.298 -11.528 1.256 1.00 0.00 C ATOM 999 CD GLU A 68 12.827 -11.631 1.150 1.00 0.00 C ATOM 1000 OE1 GLU A 68 13.414 -11.268 0.096 1.00 0.00 O ATOM 1001 OE2 GLU A 68 13.459 -12.079 2.136 1.00 0.00 O ATOM 0 H GLU A 68 9.476 -8.486 -0.426 1.00 0.00 H new ATOM 0 HA GLU A 68 8.688 -10.874 0.806 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.914 -10.125 -0.332 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.323 -9.375 1.198 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.001 -11.662 2.296 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.844 -12.340 0.688 1.00 0.00 H new ATOM 1008 N GLY A 69 9.036 -8.437 2.965 1.00 0.00 N ATOM 1009 CA GLY A 69 8.756 -8.001 4.336 1.00 0.00 C ATOM 1010 C GLY A 69 7.280 -7.723 4.654 1.00 0.00 C ATOM 1011 O GLY A 69 6.890 -7.845 5.811 1.00 0.00 O ATOM 0 H GLY A 69 9.245 -7.660 2.338 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.120 -8.765 5.023 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.329 -7.095 4.535 1.00 0.00 H new ATOM 1015 N MET A 70 6.443 -7.362 3.677 1.00 0.00 N ATOM 1016 CA MET A 70 5.091 -6.841 3.928 1.00 0.00 C ATOM 1017 C MET A 70 4.115 -7.902 4.429 1.00 0.00 C ATOM 1018 O MET A 70 3.374 -7.631 5.369 1.00 0.00 O ATOM 1019 CB MET A 70 4.494 -6.275 2.626 1.00 0.00 C ATOM 1020 CG MET A 70 4.974 -4.867 2.250 1.00 0.00 C ATOM 1021 SD MET A 70 3.676 -3.600 2.247 1.00 0.00 S ATOM 1022 CE MET A 70 4.563 -2.255 1.422 1.00 0.00 C ATOM 0 H MET A 70 6.682 -7.422 2.687 1.00 0.00 H new ATOM 0 HA MET A 70 5.211 -6.078 4.697 1.00 0.00 H new ATOM 0 HB2 MET A 70 4.734 -6.955 1.808 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.408 -6.259 2.719 1.00 0.00 H new ATOM 0 HG2 MET A 70 5.755 -4.566 2.948 1.00 0.00 H new ATOM 0 HG3 MET A 70 5.428 -4.905 1.260 1.00 0.00 H new ATOM 0 HE1 MET A 70 4.072 -1.307 1.642 1.00 0.00 H new ATOM 0 HE2 MET A 70 5.592 -2.223 1.781 1.00 0.00 H new ATOM 0 HE3 MET A 70 4.560 -2.424 0.345 1.00 0.00 H new ATOM 1032 N ASN A 71 4.083 -9.086 3.806 1.00 0.00 N ATOM 1033 CA ASN A 71 2.907 -9.967 3.927 1.00 0.00 C ATOM 1034 C ASN A 71 2.576 -10.359 5.389 1.00 0.00 C ATOM 1035 O ASN A 71 3.286 -11.137 6.028 1.00 0.00 O ATOM 1036 CB ASN A 71 3.050 -11.169 2.975 1.00 0.00 C ATOM 1037 CG ASN A 71 4.181 -12.117 3.330 1.00 0.00 C ATOM 1038 OD1 ASN A 71 5.354 -11.772 3.252 1.00 0.00 O ATOM 1039 ND2 ASN A 71 3.874 -13.337 3.689 1.00 0.00 N ATOM 0 H ASN A 71 4.837 -9.453 3.225 1.00 0.00 H new ATOM 0 HA ASN A 71 2.030 -9.402 3.612 1.00 0.00 H new ATOM 0 HB2 ASN A 71 2.113 -11.726 2.969 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.207 -10.798 1.962 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.613 -14.006 3.906 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.896 -13.619 3.752 1.00 0.00 H new ATOM 1046 N GLY A 72 1.466 -9.831 5.917 1.00 0.00 N ATOM 1047 CA GLY A 72 0.945 -10.129 7.258 1.00 0.00 C ATOM 1048 C GLY A 72 1.496 -9.294 8.424 1.00 0.00 C ATOM 1049 O GLY A 72 1.203 -9.631 9.578 1.00 0.00 O ATOM 0 H GLY A 72 0.887 -9.164 5.408 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.138 -10.006 7.235 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.142 -11.180 7.472 1.00 0.00 H new ATOM 1053 N LYS A 73 2.262 -8.218 8.186 1.00 0.00 N ATOM 1054 CA LYS A 73 2.631 -7.240 9.241 1.00 0.00 C ATOM 1055 C LYS A 73 1.389 -6.511 9.807 1.00 0.00 C ATOM 1056 O LYS A 73 0.360 -6.446 9.137 1.00 0.00 O ATOM 1057 CB LYS A 73 3.668 -6.243 8.682 1.00 0.00 C ATOM 1058 CG LYS A 73 5.013 -6.868 8.254 1.00 0.00 C ATOM 1059 CD LYS A 73 5.856 -7.391 9.427 1.00 0.00 C ATOM 1060 CE LYS A 73 7.264 -7.840 9.003 1.00 0.00 C ATOM 1061 NZ LYS A 73 7.263 -9.096 8.217 1.00 0.00 N ATOM 0 H LYS A 73 2.644 -7.995 7.267 1.00 0.00 H new ATOM 0 HA LYS A 73 3.078 -7.781 10.075 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.232 -5.733 7.823 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.863 -5.483 9.439 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.818 -7.689 7.565 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.591 -6.123 7.707 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.942 -6.610 10.182 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.339 -8.229 9.893 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.728 -7.050 8.413 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.879 -7.976 9.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.195 -9.552 8.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.533 -9.737 8.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.060 -8.881 7.220 1.00 0.00 H new ATOM 1075 N GLU A 74 1.472 -5.966 11.026 1.00 0.00 N ATOM 1076 CA GLU A 74 0.382 -5.216 11.690 1.00 0.00 C ATOM 1077 C GLU A 74 0.634 -3.692 11.676 1.00 0.00 C ATOM 1078 O GLU A 74 1.441 -3.188 12.465 1.00 0.00 O ATOM 1079 CB GLU A 74 0.180 -5.694 13.144 1.00 0.00 C ATOM 1080 CG GLU A 74 -0.457 -7.082 13.290 1.00 0.00 C ATOM 1081 CD GLU A 74 -0.818 -7.377 14.757 1.00 0.00 C ATOM 1082 OE1 GLU A 74 -1.803 -6.795 15.275 1.00 0.00 O ATOM 1083 OE2 GLU A 74 -0.141 -8.206 15.418 1.00 0.00 O ATOM 0 H GLU A 74 2.315 -6.032 11.597 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.524 -5.417 11.119 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.148 -5.701 13.646 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.444 -4.968 13.665 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.354 -7.140 12.673 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.232 -7.842 12.922 1.00 0.00 H new ATOM 1090 N LEU A 75 -0.081 -2.943 10.827 1.00 0.00 N ATOM 1091 CA LEU A 75 0.008 -1.477 10.678 1.00 0.00 C ATOM 1092 C LEU A 75 -1.355 -0.848 11.001 1.00 0.00 C ATOM 1093 O LEU A 75 -2.371 -1.361 10.548 1.00 0.00 O ATOM 1094 CB LEU A 75 0.439 -1.094 9.245 1.00 0.00 C ATOM 1095 CG LEU A 75 1.817 -1.559 8.728 1.00 0.00 C ATOM 1096 CD1 LEU A 75 2.930 -1.377 9.756 1.00 0.00 C ATOM 1097 CD2 LEU A 75 1.839 -3.004 8.233 1.00 0.00 C ATOM 0 H LEU A 75 -0.768 -3.356 10.196 1.00 0.00 H new ATOM 0 HA LEU A 75 0.760 -1.100 11.371 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.316 -1.479 8.560 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.410 -0.007 9.172 1.00 0.00 H new ATOM 0 HG LEU A 75 2.002 -0.905 7.876 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.874 -1.722 9.335 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.013 -0.323 10.019 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.698 -1.957 10.650 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.842 -3.255 7.886 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.559 -3.672 9.048 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.132 -3.118 7.411 1.00 0.00 H new ATOM 1109 N ASP A 76 -1.420 0.227 11.797 1.00 0.00 N ATOM 1110 CA ASP A 76 -2.680 0.701 12.423 1.00 0.00 C ATOM 1111 C ASP A 76 -3.409 -0.406 13.236 1.00 0.00 C ATOM 1112 O ASP A 76 -4.605 -0.330 13.523 1.00 0.00 O ATOM 1113 CB ASP A 76 -3.540 1.427 11.353 1.00 0.00 C ATOM 1114 CG ASP A 76 -4.938 1.892 11.788 1.00 0.00 C ATOM 1115 OD1 ASP A 76 -5.071 2.590 12.823 1.00 0.00 O ATOM 1116 OD2 ASP A 76 -5.915 1.599 11.061 1.00 0.00 O ATOM 0 H ASP A 76 -0.607 0.798 12.030 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.452 1.439 13.192 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.985 2.298 11.005 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.654 0.760 10.499 1.00 0.00 H new ATOM 1121 N GLY A 77 -2.695 -1.461 13.645 1.00 0.00 N ATOM 1122 CA GLY A 77 -3.273 -2.699 14.180 1.00 0.00 C ATOM 1123 C GLY A 77 -4.004 -3.575 13.149 1.00 0.00 C ATOM 1124 O GLY A 77 -4.576 -4.597 13.522 1.00 0.00 O ATOM 0 H GLY A 77 -1.676 -1.478 13.612 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.476 -3.288 14.634 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.972 -2.441 14.976 1.00 0.00 H new ATOM 1128 N ARG A 78 -3.994 -3.207 11.864 1.00 0.00 N ATOM 1129 CA ARG A 78 -4.591 -3.940 10.738 1.00 0.00 C ATOM 1130 C ARG A 78 -3.541 -4.860 10.104 1.00 0.00 C ATOM 1131 O ARG A 78 -2.393 -4.457 9.931 1.00 0.00 O ATOM 1132 CB ARG A 78 -5.134 -2.950 9.680 1.00 0.00 C ATOM 1133 CG ARG A 78 -5.844 -1.684 10.203 1.00 0.00 C ATOM 1134 CD ARG A 78 -7.124 -1.976 10.990 1.00 0.00 C ATOM 1135 NE ARG A 78 -7.705 -0.737 11.546 1.00 0.00 N ATOM 1136 CZ ARG A 78 -8.904 -0.628 12.093 1.00 0.00 C ATOM 1137 NH1 ARG A 78 -9.767 -1.597 12.138 1.00 0.00 N ATOM 1138 NH2 ARG A 78 -9.295 0.471 12.657 1.00 0.00 N ATOM 0 H ARG A 78 -3.545 -2.342 11.563 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.420 -4.543 11.109 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.301 -2.636 9.051 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.831 -3.489 9.039 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.155 -1.129 10.840 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.087 -1.039 9.358 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.851 -2.461 10.339 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.905 -2.673 11.799 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.133 0.106 11.504 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.535 -2.506 11.737 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.677 -1.450 12.575 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.673 1.279 12.686 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.225 0.529 13.072 1.00 0.00 H new ATOM 1152 N SER A 79 -3.915 -6.084 9.740 1.00 0.00 N ATOM 1153 CA SER A 79 -3.010 -7.023 9.057 1.00 0.00 C ATOM 1154 C SER A 79 -2.937 -6.736 7.552 1.00 0.00 C ATOM 1155 O SER A 79 -3.976 -6.679 6.889 1.00 0.00 O ATOM 1156 CB SER A 79 -3.434 -8.471 9.312 1.00 0.00 C ATOM 1157 OG SER A 79 -3.388 -8.735 10.704 1.00 0.00 O ATOM 0 H SER A 79 -4.849 -6.458 9.906 1.00 0.00 H new ATOM 0 HA SER A 79 -2.012 -6.880 9.471 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.441 -8.639 8.932 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.774 -9.155 8.779 1.00 0.00 H new ATOM 0 HG SER A 79 -3.661 -9.661 10.870 1.00 0.00 H new ATOM 1163 N ILE A 80 -1.725 -6.576 7.009 1.00 0.00 N ATOM 1164 CA ILE A 80 -1.511 -6.176 5.605 1.00 0.00 C ATOM 1165 C ILE A 80 -1.418 -7.355 4.625 1.00 0.00 C ATOM 1166 O ILE A 80 -0.893 -8.422 4.954 1.00 0.00 O ATOM 1167 CB ILE A 80 -0.348 -5.162 5.492 1.00 0.00 C ATOM 1168 CG1 ILE A 80 -0.302 -4.421 4.134 1.00 0.00 C ATOM 1169 CG2 ILE A 80 1.001 -5.841 5.738 1.00 0.00 C ATOM 1170 CD1 ILE A 80 0.510 -3.120 4.201 1.00 0.00 C ATOM 0 H ILE A 80 -0.859 -6.720 7.529 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.413 -5.658 5.280 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.540 -4.417 6.265 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.132 -5.078 3.380 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.319 -4.195 3.813 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.800 -5.105 5.652 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.013 -6.275 6.738 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.152 -6.628 4.999 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.510 -2.640 3.222 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.062 -2.449 4.934 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.535 -3.346 4.494 1.00 0.00 H new ATOM 1182 N VAL A 81 -1.913 -7.145 3.403 1.00 0.00 N ATOM 1183 CA VAL A 81 -1.913 -8.095 2.273 1.00 0.00 C ATOM 1184 C VAL A 81 -1.302 -7.411 1.050 1.00 0.00 C ATOM 1185 O VAL A 81 -1.619 -6.246 0.801 1.00 0.00 O ATOM 1186 CB VAL A 81 -3.352 -8.583 1.992 1.00 0.00 C ATOM 1187 CG1 VAL A 81 -3.523 -9.315 0.654 1.00 0.00 C ATOM 1188 CG2 VAL A 81 -3.792 -9.544 3.100 1.00 0.00 C ATOM 0 H VAL A 81 -2.351 -6.258 3.155 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.312 -8.971 2.518 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.961 -7.680 1.954 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.562 -9.623 0.538 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.248 -8.648 -0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.880 -10.195 0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.807 -9.888 2.901 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.118 -10.400 3.128 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.765 -9.029 4.060 1.00 0.00 H new ATOM 1198 N VAL A 82 -0.437 -8.108 0.302 1.00 0.00 N ATOM 1199 CA VAL A 82 0.365 -7.533 -0.800 1.00 0.00 C ATOM 1200 C VAL A 82 0.347 -8.336 -2.103 1.00 0.00 C ATOM 1201 O VAL A 82 0.341 -9.566 -2.085 1.00 0.00 O ATOM 1202 CB VAL A 82 1.833 -7.305 -0.414 1.00 0.00 C ATOM 1203 CG1 VAL A 82 1.929 -6.053 0.444 1.00 0.00 C ATOM 1204 CG2 VAL A 82 2.500 -8.495 0.288 1.00 0.00 C ATOM 0 H VAL A 82 -0.268 -9.104 0.443 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.136 -6.582 -0.981 1.00 0.00 H new ATOM 0 HB VAL A 82 2.387 -7.183 -1.345 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.969 -5.882 0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.560 -5.196 -0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.328 -6.182 1.344 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.534 -8.245 0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.963 -8.722 1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.477 -9.364 -0.369 1.00 0.00 H new ATOM 1214 N ASN A 83 0.448 -7.640 -3.239 1.00 0.00 N ATOM 1215 CA ASN A 83 1.042 -8.143 -4.492 1.00 0.00 C ATOM 1216 C ASN A 83 1.406 -6.983 -5.430 1.00 0.00 C ATOM 1217 O ASN A 83 0.834 -5.898 -5.347 1.00 0.00 O ATOM 1218 CB ASN A 83 0.112 -9.135 -5.223 1.00 0.00 C ATOM 1219 CG ASN A 83 -1.311 -8.637 -5.397 1.00 0.00 C ATOM 1220 OD1 ASN A 83 -2.207 -9.019 -4.653 1.00 0.00 O ATOM 1221 ND2 ASN A 83 -1.558 -7.780 -6.363 1.00 0.00 N ATOM 0 H ASN A 83 0.110 -6.681 -3.320 1.00 0.00 H new ATOM 0 HA ASN A 83 1.949 -8.679 -4.214 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.532 -9.354 -6.205 1.00 0.00 H new ATOM 0 HB3 ASN A 83 0.092 -10.073 -4.669 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.504 -7.425 -6.500 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.803 -7.470 -6.975 1.00 0.00 H new ATOM 1228 N GLU A 84 2.312 -7.211 -6.375 1.00 0.00 N ATOM 1229 CA GLU A 84 2.631 -6.265 -7.447 1.00 0.00 C ATOM 1230 C GLU A 84 1.404 -5.941 -8.339 1.00 0.00 C ATOM 1231 O GLU A 84 0.452 -6.726 -8.438 1.00 0.00 O ATOM 1232 CB GLU A 84 3.858 -6.762 -8.228 1.00 0.00 C ATOM 1233 CG GLU A 84 3.634 -8.053 -9.034 1.00 0.00 C ATOM 1234 CD GLU A 84 2.992 -7.836 -10.410 1.00 0.00 C ATOM 1235 OE1 GLU A 84 3.069 -6.714 -10.966 1.00 0.00 O ATOM 1236 OE2 GLU A 84 2.437 -8.816 -10.965 1.00 0.00 O ATOM 0 H GLU A 84 2.857 -8.072 -6.421 1.00 0.00 H new ATOM 0 HA GLU A 84 2.897 -5.305 -7.004 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.179 -5.976 -8.911 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.675 -6.927 -7.526 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.593 -8.554 -9.169 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.002 -8.725 -8.453 1.00 0.00 H new ATOM 1243 N ALA A 85 1.384 -4.748 -8.941 1.00 0.00 N ATOM 1244 CA ALA A 85 0.168 -4.125 -9.479 1.00 0.00 C ATOM 1245 C ALA A 85 0.017 -4.138 -11.018 1.00 0.00 C ATOM 1246 O ALA A 85 -0.930 -3.527 -11.528 1.00 0.00 O ATOM 1247 CB ALA A 85 0.086 -2.699 -8.910 1.00 0.00 C ATOM 0 H ALA A 85 2.221 -4.180 -9.071 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.673 -4.740 -9.158 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -0.809 -2.206 -9.291 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.040 -2.744 -7.822 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.968 -2.135 -9.213 1.00 0.00 H new