USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 649 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 51 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 55 GLN : amide:sc= -0.829 K(o=-0.83,f=-1.7) USER MOD Set 2.1: A 25 GLN :FLIP amide:sc= -1.17 F(o=-5.2,f=-1.9) USER MOD Set 2.2: A 37 MET CE :methyl 137:sc= -0.731 (180deg=-2.42!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -2.03 K(o=-2,f=-4.1!) USER MOD Single : A 24 GLN : amide:sc= -1.56 K(o=-1.6,f=-4.2!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 70:sc= 0.147 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0.158 X(o=0.16,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.039 USER MOD Single : A 50 ASN : amide:sc= -0.0598 X(o=-0.06,f=-0.48) USER MOD Single : A 52 TYR OH : rot 105:sc= -3.55! USER MOD Single : A 54 GLN : amide:sc= 0.158 X(o=0.16,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -1.32 K(o=-1.3,f=-9.1!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.224 F(o=-0.77,f=-0.22) USER MOD Single : A 72 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.052) USER MOD Single : A 75 ASN : amide:sc= 0.0858 X(o=0.086,f=0) USER MOD Single : A 76 THR OG1 : rot 74:sc= 0.822 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 137:sc= -1.16 (180deg=-3.39!) USER MOD Single : A 85 TYR OH : rot 80:sc= -2.05! USER MOD ----------------------------------------------------------------- ATOM 87 N LYS A 8 5.978 20.877 -0.301 1.00 0.00 N ATOM 88 CA LYS A 8 6.429 19.822 -1.197 1.00 0.00 C ATOM 89 C LYS A 8 7.215 18.762 -0.431 1.00 0.00 C ATOM 90 O LYS A 8 7.188 17.583 -0.783 1.00 0.00 O ATOM 91 CB LYS A 8 7.282 20.407 -2.329 1.00 0.00 C ATOM 92 CG LYS A 8 8.720 20.704 -1.933 1.00 0.00 C ATOM 93 CD LYS A 8 9.505 21.302 -3.089 1.00 0.00 C ATOM 94 CE LYS A 8 10.983 20.953 -3.001 1.00 0.00 C ATOM 95 NZ LYS A 8 11.822 22.155 -2.739 1.00 0.00 N ATOM 0 HA LYS A 8 5.551 19.347 -1.634 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.284 19.709 -3.166 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.816 21.327 -2.682 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.731 21.394 -1.089 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.204 19.786 -1.600 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.100 20.937 -4.033 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.386 22.385 -3.089 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.137 20.223 -2.207 1.00 0.00 H new ATOM 0 HE3 LYS A 8 11.301 20.484 -3.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.822 21.875 -2.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.695 22.842 -3.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 11.536 22.589 -1.838 1.00 0.00 H new ATOM 109 N ASP A 9 7.914 19.187 0.618 1.00 0.00 N ATOM 110 CA ASP A 9 8.699 18.264 1.426 1.00 0.00 C ATOM 111 C ASP A 9 7.787 17.269 2.129 1.00 0.00 C ATOM 112 O ASP A 9 8.056 16.069 2.140 1.00 0.00 O ATOM 113 CB ASP A 9 9.543 19.025 2.450 1.00 0.00 C ATOM 114 CG ASP A 9 10.991 19.160 2.018 1.00 0.00 C ATOM 115 OD1 ASP A 9 11.722 18.149 2.068 1.00 0.00 O ATOM 116 OD2 ASP A 9 11.393 20.278 1.631 1.00 0.00 O ATOM 0 H ASP A 9 7.952 20.159 0.926 1.00 0.00 H new ATOM 0 HA ASP A 9 9.371 17.717 0.765 1.00 0.00 H new ATOM 0 HB2 ASP A 9 9.118 20.017 2.602 1.00 0.00 H new ATOM 0 HB3 ASP A 9 9.499 18.509 3.409 1.00 0.00 H new ATOM 121 N LEU A 10 6.694 17.770 2.698 1.00 0.00 N ATOM 122 CA LEU A 10 5.741 16.907 3.377 1.00 0.00 C ATOM 123 C LEU A 10 5.153 15.918 2.388 1.00 0.00 C ATOM 124 O LEU A 10 5.035 14.727 2.681 1.00 0.00 O ATOM 125 CB LEU A 10 4.624 17.725 4.029 1.00 0.00 C ATOM 126 CG LEU A 10 3.483 16.897 4.629 1.00 0.00 C ATOM 127 CD1 LEU A 10 3.657 16.753 6.132 1.00 0.00 C ATOM 128 CD2 LEU A 10 2.139 17.529 4.302 1.00 0.00 C ATOM 0 H LEU A 10 6.450 18.760 2.701 1.00 0.00 H new ATOM 0 HA LEU A 10 6.266 16.366 4.164 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.058 18.343 4.816 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.208 18.403 3.284 1.00 0.00 H new ATOM 0 HG LEU A 10 3.511 15.901 4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.836 16.162 6.538 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.603 16.254 6.343 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.657 17.740 6.595 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.339 16.928 4.736 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.101 18.537 4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.012 17.575 3.220 1.00 0.00 H new ATOM 140 N ILE A 11 4.799 16.409 1.204 1.00 0.00 N ATOM 141 CA ILE A 11 4.246 15.540 0.183 1.00 0.00 C ATOM 142 C ILE A 11 5.269 14.476 -0.188 1.00 0.00 C ATOM 143 O ILE A 11 4.980 13.280 -0.138 1.00 0.00 O ATOM 144 CB ILE A 11 3.845 16.327 -1.080 1.00 0.00 C ATOM 145 CG1 ILE A 11 2.932 17.499 -0.709 1.00 0.00 C ATOM 146 CG2 ILE A 11 3.156 15.412 -2.082 1.00 0.00 C ATOM 147 CD1 ILE A 11 3.130 18.720 -1.582 1.00 0.00 C ATOM 0 H ILE A 11 4.885 17.389 0.935 1.00 0.00 H new ATOM 0 HA ILE A 11 3.348 15.075 0.590 1.00 0.00 H new ATOM 0 HB ILE A 11 4.749 16.724 -1.542 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.893 17.176 -0.780 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.110 17.773 0.331 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.880 15.984 -2.967 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.834 14.608 -2.367 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.259 14.987 -1.630 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.451 19.510 -1.262 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.159 19.068 -1.493 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.923 18.462 -2.621 1.00 0.00 H new ATOM 159 N SER A 12 6.471 14.914 -0.562 1.00 0.00 N ATOM 160 CA SER A 12 7.533 13.994 -0.941 1.00 0.00 C ATOM 161 C SER A 12 7.809 12.978 0.161 1.00 0.00 C ATOM 162 O SER A 12 7.990 11.797 -0.110 1.00 0.00 O ATOM 163 CB SER A 12 8.812 14.768 -1.264 1.00 0.00 C ATOM 164 OG SER A 12 9.489 14.195 -2.369 1.00 0.00 O ATOM 0 H SER A 12 6.729 15.900 -0.609 1.00 0.00 H new ATOM 0 HA SER A 12 7.203 13.453 -1.828 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.567 15.807 -1.483 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.468 14.772 -0.394 1.00 0.00 H new ATOM 0 HG SER A 12 10.302 14.709 -2.557 1.00 0.00 H new ATOM 170 N ALA A 13 7.847 13.446 1.404 1.00 0.00 N ATOM 171 CA ALA A 13 8.115 12.562 2.535 1.00 0.00 C ATOM 172 C ALA A 13 7.080 11.452 2.611 1.00 0.00 C ATOM 173 O ALA A 13 7.424 10.286 2.787 1.00 0.00 O ATOM 174 CB ALA A 13 8.165 13.350 3.837 1.00 0.00 C ATOM 0 H ALA A 13 7.697 14.424 1.654 1.00 0.00 H new ATOM 0 HA ALA A 13 9.091 12.102 2.382 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.366 12.671 4.666 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.957 14.097 3.780 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.208 13.847 3.999 1.00 0.00 H new ATOM 180 N GLY A 14 5.821 11.811 2.418 1.00 0.00 N ATOM 181 CA GLY A 14 4.768 10.815 2.409 1.00 0.00 C ATOM 182 C GLY A 14 4.885 9.952 1.165 1.00 0.00 C ATOM 183 O GLY A 14 4.510 8.780 1.151 1.00 0.00 O ATOM 0 H GLY A 14 5.509 12.770 2.268 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.836 10.193 3.302 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.794 11.303 2.434 1.00 0.00 H new ATOM 187 N LEU A 15 5.439 10.569 0.127 1.00 0.00 N ATOM 188 CA LEU A 15 5.655 9.902 -1.146 1.00 0.00 C ATOM 189 C LEU A 15 6.670 8.780 -0.989 1.00 0.00 C ATOM 190 O LEU A 15 6.356 7.615 -1.219 1.00 0.00 O ATOM 191 CB LEU A 15 6.107 10.897 -2.211 1.00 0.00 C ATOM 192 CG LEU A 15 5.040 11.276 -3.241 1.00 0.00 C ATOM 193 CD1 LEU A 15 5.209 12.723 -3.678 1.00 0.00 C ATOM 194 CD2 LEU A 15 5.104 10.344 -4.442 1.00 0.00 C ATOM 0 H LEU A 15 5.749 11.541 0.146 1.00 0.00 H new ATOM 0 HA LEU A 15 4.710 9.469 -1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.450 11.805 -1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.965 10.478 -2.737 1.00 0.00 H new ATOM 0 HG LEU A 15 4.060 11.171 -2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.442 12.974 -4.410 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.113 13.378 -2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.194 12.855 -4.125 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.338 10.628 -5.164 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.087 10.417 -4.907 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.932 9.318 -4.116 1.00 0.00 H new ATOM 206 N LYS A 16 7.888 9.131 -0.592 1.00 0.00 N ATOM 207 CA LYS A 16 8.935 8.132 -0.402 1.00 0.00 C ATOM 208 C LYS A 16 8.486 7.099 0.615 1.00 0.00 C ATOM 209 O LYS A 16 8.747 5.905 0.469 1.00 0.00 O ATOM 210 CB LYS A 16 10.235 8.786 0.072 1.00 0.00 C ATOM 211 CG LYS A 16 10.510 10.138 -0.560 1.00 0.00 C ATOM 212 CD LYS A 16 11.969 10.532 -0.412 1.00 0.00 C ATOM 213 CE LYS A 16 12.741 10.318 -1.704 1.00 0.00 C ATOM 214 NZ LYS A 16 14.081 9.717 -1.458 1.00 0.00 N ATOM 0 H LYS A 16 8.174 10.090 -0.397 1.00 0.00 H new ATOM 0 HA LYS A 16 9.120 7.646 -1.360 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.197 8.903 1.155 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.067 8.117 -0.147 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.245 10.108 -1.617 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.878 10.894 -0.094 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.035 11.579 -0.117 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.425 9.947 0.386 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.168 9.669 -2.366 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.860 11.272 -2.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.575 9.587 -2.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.638 10.348 -0.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.967 8.795 -0.991 1.00 0.00 H new ATOM 228 N GLU A 17 7.796 7.573 1.640 1.00 0.00 N ATOM 229 CA GLU A 17 7.289 6.693 2.684 1.00 0.00 C ATOM 230 C GLU A 17 6.408 5.610 2.079 1.00 0.00 C ATOM 231 O GLU A 17 6.571 4.425 2.372 1.00 0.00 O ATOM 232 CB GLU A 17 6.503 7.484 3.731 1.00 0.00 C ATOM 233 CG GLU A 17 6.654 6.941 5.142 1.00 0.00 C ATOM 234 CD GLU A 17 6.777 8.041 6.180 1.00 0.00 C ATOM 235 OE1 GLU A 17 5.753 8.686 6.485 1.00 0.00 O ATOM 236 OE2 GLU A 17 7.899 8.255 6.687 1.00 0.00 O ATOM 0 H GLU A 17 7.574 8.560 1.773 1.00 0.00 H new ATOM 0 HA GLU A 17 8.141 6.224 3.176 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.833 8.523 3.713 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.447 7.480 3.460 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.794 6.316 5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.536 6.302 5.189 1.00 0.00 H new ATOM 243 N PHE A 18 5.464 6.025 1.240 1.00 0.00 N ATOM 244 CA PHE A 18 4.550 5.084 0.605 1.00 0.00 C ATOM 245 C PHE A 18 5.257 4.244 -0.454 1.00 0.00 C ATOM 246 O PHE A 18 5.155 3.022 -0.450 1.00 0.00 O ATOM 247 CB PHE A 18 3.369 5.829 -0.022 1.00 0.00 C ATOM 248 CG PHE A 18 2.098 5.020 -0.093 1.00 0.00 C ATOM 249 CD1 PHE A 18 1.776 4.102 0.900 1.00 0.00 C ATOM 250 CD2 PHE A 18 1.224 5.180 -1.156 1.00 0.00 C ATOM 251 CE1 PHE A 18 0.610 3.363 0.828 1.00 0.00 C ATOM 252 CE2 PHE A 18 0.057 4.443 -1.230 1.00 0.00 C ATOM 253 CZ PHE A 18 -0.251 3.534 -0.238 1.00 0.00 C ATOM 0 H PHE A 18 5.313 7.001 0.986 1.00 0.00 H new ATOM 0 HA PHE A 18 4.181 4.411 1.378 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.178 6.735 0.553 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.644 6.142 -1.029 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.444 3.965 1.737 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.457 5.889 -1.936 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.372 2.652 1.605 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.615 4.579 -2.065 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.163 2.958 -0.295 1.00 0.00 H new ATOM 263 N SER A 19 5.976 4.899 -1.360 1.00 0.00 N ATOM 264 CA SER A 19 6.685 4.185 -2.419 1.00 0.00 C ATOM 265 C SER A 19 7.636 3.146 -1.829 1.00 0.00 C ATOM 266 O SER A 19 7.603 1.967 -2.201 1.00 0.00 O ATOM 267 CB SER A 19 7.463 5.172 -3.293 1.00 0.00 C ATOM 268 OG SER A 19 6.881 5.281 -4.580 1.00 0.00 O ATOM 0 H SER A 19 6.084 5.913 -1.384 1.00 0.00 H new ATOM 0 HA SER A 19 5.949 3.668 -3.035 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.481 6.151 -2.814 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.498 4.843 -3.385 1.00 0.00 H new ATOM 0 HG SER A 19 7.395 5.918 -5.119 1.00 0.00 H new ATOM 274 N VAL A 20 8.471 3.587 -0.899 1.00 0.00 N ATOM 275 CA VAL A 20 9.421 2.698 -0.251 1.00 0.00 C ATOM 276 C VAL A 20 8.693 1.629 0.553 1.00 0.00 C ATOM 277 O VAL A 20 9.141 0.488 0.627 1.00 0.00 O ATOM 278 CB VAL A 20 10.378 3.472 0.678 1.00 0.00 C ATOM 279 CG1 VAL A 20 11.403 2.533 1.296 1.00 0.00 C ATOM 280 CG2 VAL A 20 11.067 4.596 -0.080 1.00 0.00 C ATOM 0 H VAL A 20 8.509 4.554 -0.577 1.00 0.00 H new ATOM 0 HA VAL A 20 10.008 2.225 -1.038 1.00 0.00 H new ATOM 0 HB VAL A 20 9.791 3.913 1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.068 3.099 1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.890 1.767 1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.986 2.059 0.506 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.738 5.130 0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 20 11.640 4.179 -0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.318 5.286 -0.468 1.00 0.00 H new ATOM 290 N LEU A 21 7.569 2.000 1.154 1.00 0.00 N ATOM 291 CA LEU A 21 6.793 1.059 1.952 1.00 0.00 C ATOM 292 C LEU A 21 6.206 -0.045 1.075 1.00 0.00 C ATOM 293 O LEU A 21 6.280 -1.225 1.417 1.00 0.00 O ATOM 294 CB LEU A 21 5.675 1.801 2.698 1.00 0.00 C ATOM 295 CG LEU A 21 4.596 0.913 3.336 1.00 0.00 C ATOM 296 CD1 LEU A 21 4.689 0.963 4.853 1.00 0.00 C ATOM 297 CD2 LEU A 21 3.206 1.336 2.873 1.00 0.00 C ATOM 0 H LEU A 21 7.176 2.940 1.105 1.00 0.00 H new ATOM 0 HA LEU A 21 7.457 0.594 2.680 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.128 2.410 3.481 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.191 2.486 2.001 1.00 0.00 H new ATOM 0 HG LEU A 21 4.767 -0.114 3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.916 0.328 5.286 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.670 0.608 5.169 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.547 1.989 5.193 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.457 0.694 3.337 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.026 2.371 3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.140 1.245 1.789 1.00 0.00 H new ATOM 309 N LEU A 22 5.627 0.341 -0.059 1.00 0.00 N ATOM 310 CA LEU A 22 5.037 -0.630 -0.975 1.00 0.00 C ATOM 311 C LEU A 22 6.097 -1.608 -1.463 1.00 0.00 C ATOM 312 O LEU A 22 5.847 -2.808 -1.572 1.00 0.00 O ATOM 313 CB LEU A 22 4.377 0.076 -2.162 1.00 0.00 C ATOM 314 CG LEU A 22 3.373 1.165 -1.781 1.00 0.00 C ATOM 315 CD1 LEU A 22 3.207 2.166 -2.912 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.035 0.550 -1.411 1.00 0.00 C ATOM 0 H LEU A 22 5.554 1.312 -0.364 1.00 0.00 H new ATOM 0 HA LEU A 22 4.269 -1.186 -0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.156 0.520 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.869 -0.669 -2.774 1.00 0.00 H new ATOM 0 HG LEU A 22 3.760 1.696 -0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.488 2.931 -2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.168 2.634 -3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.846 1.652 -3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.333 1.340 -1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.644 -0.009 -2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.166 -0.123 -0.563 1.00 0.00 H new ATOM 328 N ASN A 23 7.289 -1.089 -1.744 1.00 0.00 N ATOM 329 CA ASN A 23 8.391 -1.926 -2.207 1.00 0.00 C ATOM 330 C ASN A 23 9.102 -2.596 -1.028 1.00 0.00 C ATOM 331 O ASN A 23 9.775 -3.613 -1.194 1.00 0.00 O ATOM 332 CB ASN A 23 9.377 -1.087 -3.036 1.00 0.00 C ATOM 333 CG ASN A 23 10.636 -0.706 -2.275 1.00 0.00 C ATOM 334 OD1 ASN A 23 10.593 0.086 -1.335 1.00 0.00 O ATOM 335 ND2 ASN A 23 11.766 -1.274 -2.682 1.00 0.00 N ATOM 0 H ASN A 23 7.516 -0.098 -1.660 1.00 0.00 H new ATOM 0 HA ASN A 23 7.986 -2.715 -2.841 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.657 -1.646 -3.929 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.876 -0.179 -3.372 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.644 -1.058 -2.210 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.755 -1.926 -3.467 1.00 0.00 H new ATOM 342 N GLN A 24 8.954 -2.011 0.159 1.00 0.00 N ATOM 343 CA GLN A 24 9.589 -2.540 1.364 1.00 0.00 C ATOM 344 C GLN A 24 8.566 -3.162 2.318 1.00 0.00 C ATOM 345 O GLN A 24 8.825 -3.284 3.515 1.00 0.00 O ATOM 346 CB GLN A 24 10.380 -1.432 2.080 1.00 0.00 C ATOM 347 CG GLN A 24 9.596 -0.678 3.149 1.00 0.00 C ATOM 348 CD GLN A 24 10.018 -1.056 4.556 1.00 0.00 C ATOM 349 OE1 GLN A 24 11.030 -1.728 4.756 1.00 0.00 O ATOM 350 NE2 GLN A 24 9.240 -0.624 5.543 1.00 0.00 N ATOM 0 H GLN A 24 8.399 -1.169 0.312 1.00 0.00 H new ATOM 0 HA GLN A 24 10.276 -3.329 1.056 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.263 -1.875 2.541 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.733 -0.718 1.336 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.734 0.394 3.008 1.00 0.00 H new ATOM 0 HG3 GLN A 24 8.532 -0.881 3.026 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.410 -0.069 5.333 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.473 -0.847 6.511 1.00 0.00 H new ATOM 359 N GLN A 25 7.405 -3.541 1.795 1.00 0.00 N ATOM 360 CA GLN A 25 6.352 -4.132 2.618 1.00 0.00 C ATOM 361 C GLN A 25 6.697 -5.550 3.089 1.00 0.00 C ATOM 362 O GLN A 25 5.801 -6.376 3.244 1.00 0.00 O ATOM 363 CB GLN A 25 5.035 -4.152 1.840 1.00 0.00 C ATOM 364 CG GLN A 25 3.903 -3.441 2.557 1.00 0.00 C ATOM 365 CD GLN A 25 3.679 -3.976 3.958 1.00 0.00 C ATOM 366 OE1 GLN A 25 3.050 -5.142 4.053 1.00 0.00 O flip ATOM 367 NE2 GLN A 25 4.070 -3.352 4.943 1.00 0.00 N flip ATOM 0 H GLN A 25 7.168 -3.450 0.807 1.00 0.00 H new ATOM 0 HA GLN A 25 6.253 -3.511 3.508 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.189 -3.686 0.867 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.746 -5.187 1.656 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.123 -2.375 2.609 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.985 -3.549 1.979 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.549 -2.459 4.824 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.915 -3.727 5.879 1.00 0.00 H new ATOM 376 N VAL A 26 7.990 -5.811 3.331 1.00 0.00 N ATOM 377 CA VAL A 26 8.479 -7.117 3.808 1.00 0.00 C ATOM 378 C VAL A 26 7.558 -8.284 3.444 1.00 0.00 C ATOM 379 O VAL A 26 6.397 -8.326 3.850 1.00 0.00 O ATOM 380 CB VAL A 26 8.679 -7.106 5.337 1.00 0.00 C ATOM 381 CG1 VAL A 26 9.359 -8.387 5.798 1.00 0.00 C ATOM 382 CG2 VAL A 26 9.480 -5.885 5.766 1.00 0.00 C ATOM 0 H VAL A 26 8.730 -5.121 3.202 1.00 0.00 H new ATOM 0 HA VAL A 26 9.430 -7.272 3.299 1.00 0.00 H new ATOM 0 HB VAL A 26 7.698 -7.052 5.810 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.491 -8.360 6.880 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.741 -9.244 5.529 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.332 -8.476 5.316 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.610 -5.897 6.848 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.457 -5.903 5.283 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.948 -4.980 5.474 1.00 0.00 H new ATOM 392 N PHE A 27 8.093 -9.252 2.707 1.00 0.00 N ATOM 393 CA PHE A 27 7.317 -10.426 2.325 1.00 0.00 C ATOM 394 C PHE A 27 7.825 -11.665 3.055 1.00 0.00 C ATOM 395 O PHE A 27 8.789 -12.302 2.629 1.00 0.00 O ATOM 396 CB PHE A 27 7.391 -10.639 0.812 1.00 0.00 C ATOM 397 CG PHE A 27 7.147 -9.385 0.023 1.00 0.00 C ATOM 398 CD1 PHE A 27 8.193 -8.531 -0.284 1.00 0.00 C ATOM 399 CD2 PHE A 27 5.872 -9.060 -0.409 1.00 0.00 C ATOM 400 CE1 PHE A 27 7.972 -7.374 -1.005 1.00 0.00 C ATOM 401 CE2 PHE A 27 5.644 -7.906 -1.130 1.00 0.00 C ATOM 402 CZ PHE A 27 6.695 -7.061 -1.430 1.00 0.00 C ATOM 0 H PHE A 27 9.054 -9.247 2.364 1.00 0.00 H new ATOM 0 HA PHE A 27 6.278 -10.259 2.608 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.373 -11.036 0.556 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.657 -11.391 0.522 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.193 -8.773 0.044 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.047 -9.717 -0.179 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.796 -6.715 -1.236 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.645 -7.663 -1.460 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.519 -6.158 -1.995 1.00 0.00 H new ATOM 452 N LEU A 31 1.847 -15.143 5.588 1.00 0.00 N ATOM 453 CA LEU A 31 1.447 -14.209 4.545 1.00 0.00 C ATOM 454 C LEU A 31 0.025 -13.709 4.765 1.00 0.00 C ATOM 455 O LEU A 31 -0.889 -14.491 5.029 1.00 0.00 O ATOM 456 CB LEU A 31 1.556 -14.871 3.168 1.00 0.00 C ATOM 457 CG LEU A 31 2.739 -14.412 2.317 1.00 0.00 C ATOM 458 CD1 LEU A 31 2.616 -14.957 0.903 1.00 0.00 C ATOM 459 CD2 LEU A 31 2.833 -12.891 2.296 1.00 0.00 C ATOM 0 HA LEU A 31 2.121 -13.354 4.589 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.625 -15.950 3.306 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.636 -14.679 2.616 1.00 0.00 H new ATOM 0 HG LEU A 31 3.654 -14.803 2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.466 -14.622 0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.602 -16.046 0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.692 -14.594 0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.682 -12.587 1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.917 -12.476 1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.967 -12.521 3.312 1.00 0.00 H new ATOM 471 N VAL A 32 -0.154 -12.400 4.640 1.00 0.00 N ATOM 472 CA VAL A 32 -1.463 -11.787 4.809 1.00 0.00 C ATOM 473 C VAL A 32 -2.296 -11.954 3.541 1.00 0.00 C ATOM 474 O VAL A 32 -1.749 -12.049 2.442 1.00 0.00 O ATOM 475 CB VAL A 32 -1.332 -10.288 5.143 1.00 0.00 C ATOM 476 CG1 VAL A 32 -0.685 -9.535 3.992 1.00 0.00 C ATOM 477 CG2 VAL A 32 -2.688 -9.695 5.481 1.00 0.00 C ATOM 0 H VAL A 32 0.594 -11.742 4.422 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.961 -12.289 5.638 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.689 -10.187 6.017 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.602 -8.479 4.249 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.309 -9.942 3.804 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.297 -9.644 3.096 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.574 -8.636 5.714 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.358 -9.809 4.629 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.107 -10.213 6.344 1.00 0.00 H new ATOM 487 N SER A 33 -3.615 -12.024 3.694 1.00 0.00 N ATOM 488 CA SER A 33 -4.499 -12.220 2.549 1.00 0.00 C ATOM 489 C SER A 33 -4.730 -10.919 1.788 1.00 0.00 C ATOM 490 O SER A 33 -4.293 -9.848 2.210 1.00 0.00 O ATOM 491 CB SER A 33 -5.840 -12.794 3.008 1.00 0.00 C ATOM 492 OG SER A 33 -5.685 -14.104 3.526 1.00 0.00 O ATOM 0 H SER A 33 -4.093 -11.949 4.592 1.00 0.00 H new ATOM 0 HA SER A 33 -4.012 -12.925 1.875 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.274 -12.147 3.771 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.537 -12.811 2.170 1.00 0.00 H new ATOM 0 HG SER A 33 -6.557 -14.447 3.814 1.00 0.00 H new ATOM 498 N GLU A 34 -5.404 -11.033 0.647 1.00 0.00 N ATOM 499 CA GLU A 34 -5.685 -9.883 -0.205 1.00 0.00 C ATOM 500 C GLU A 34 -6.657 -8.911 0.454 1.00 0.00 C ATOM 501 O GLU A 34 -6.465 -7.698 0.394 1.00 0.00 O ATOM 502 CB GLU A 34 -6.244 -10.351 -1.551 1.00 0.00 C ATOM 503 CG GLU A 34 -5.595 -9.673 -2.746 1.00 0.00 C ATOM 504 CD GLU A 34 -6.155 -8.288 -3.008 1.00 0.00 C ATOM 505 OE1 GLU A 34 -7.369 -8.182 -3.283 1.00 0.00 O ATOM 506 OE2 GLU A 34 -5.380 -7.312 -2.938 1.00 0.00 O ATOM 0 H GLU A 34 -5.768 -11.917 0.290 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.746 -9.354 -0.364 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.108 -11.429 -1.637 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.317 -10.162 -1.575 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.520 -9.600 -2.578 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.738 -10.292 -3.632 1.00 0.00 H new ATOM 513 N GLU A 35 -7.697 -9.444 1.084 1.00 0.00 N ATOM 514 CA GLU A 35 -8.693 -8.612 1.752 1.00 0.00 C ATOM 515 C GLU A 35 -8.086 -7.920 2.967 1.00 0.00 C ATOM 516 O GLU A 35 -8.375 -6.754 3.249 1.00 0.00 O ATOM 517 CB GLU A 35 -9.896 -9.457 2.174 1.00 0.00 C ATOM 518 CG GLU A 35 -10.785 -9.873 1.014 1.00 0.00 C ATOM 519 CD GLU A 35 -12.218 -9.401 1.175 1.00 0.00 C ATOM 520 OE1 GLU A 35 -12.970 -10.037 1.942 1.00 0.00 O ATOM 521 OE2 GLU A 35 -12.586 -8.395 0.532 1.00 0.00 O ATOM 0 H GLU A 35 -7.873 -10.447 1.147 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.029 -7.849 1.050 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.540 -10.351 2.686 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.491 -8.893 2.893 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.377 -9.471 0.087 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.773 -10.959 0.924 1.00 0.00 H new ATOM 528 N ASP A 36 -7.220 -8.642 3.666 1.00 0.00 N ATOM 529 CA ASP A 36 -6.548 -8.093 4.833 1.00 0.00 C ATOM 530 C ASP A 36 -5.586 -7.000 4.393 1.00 0.00 C ATOM 531 O ASP A 36 -5.448 -5.968 5.053 1.00 0.00 O ATOM 532 CB ASP A 36 -5.802 -9.193 5.590 1.00 0.00 C ATOM 533 CG ASP A 36 -5.124 -8.673 6.844 1.00 0.00 C ATOM 534 OD1 ASP A 36 -4.365 -7.686 6.744 1.00 0.00 O ATOM 535 OD2 ASP A 36 -5.352 -9.254 7.926 1.00 0.00 O ATOM 0 H ASP A 36 -6.968 -9.605 3.445 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.291 -7.666 5.507 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.502 -9.984 5.860 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.054 -9.639 4.934 1.00 0.00 H new ATOM 540 N MET A 37 -4.942 -7.226 3.251 1.00 0.00 N ATOM 541 CA MET A 37 -4.014 -6.252 2.696 1.00 0.00 C ATOM 542 C MET A 37 -4.778 -5.021 2.232 1.00 0.00 C ATOM 543 O MET A 37 -4.337 -3.891 2.430 1.00 0.00 O ATOM 544 CB MET A 37 -3.230 -6.855 1.529 1.00 0.00 C ATOM 545 CG MET A 37 -1.866 -6.219 1.325 1.00 0.00 C ATOM 546 SD MET A 37 -0.704 -6.640 2.639 1.00 0.00 S ATOM 547 CE MET A 37 0.367 -5.206 2.620 1.00 0.00 C ATOM 0 H MET A 37 -5.047 -8.074 2.695 1.00 0.00 H new ATOM 0 HA MET A 37 -3.305 -5.965 3.472 1.00 0.00 H new ATOM 0 HB2 MET A 37 -3.102 -7.924 1.701 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.813 -6.747 0.615 1.00 0.00 H new ATOM 0 HG2 MET A 37 -1.458 -6.541 0.367 1.00 0.00 H new ATOM 0 HG3 MET A 37 -1.977 -5.136 1.276 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.576 -4.894 3.643 1.00 0.00 H new ATOM 0 HE2 MET A 37 1.302 -5.457 2.119 1.00 0.00 H new ATOM 0 HE3 MET A 37 -0.124 -4.392 2.086 1.00 0.00 H new ATOM 557 N VAL A 38 -5.945 -5.253 1.630 1.00 0.00 N ATOM 558 CA VAL A 38 -6.785 -4.160 1.159 1.00 0.00 C ATOM 559 C VAL A 38 -7.106 -3.225 2.316 1.00 0.00 C ATOM 560 O VAL A 38 -6.999 -2.005 2.191 1.00 0.00 O ATOM 561 CB VAL A 38 -8.101 -4.676 0.536 1.00 0.00 C ATOM 562 CG1 VAL A 38 -8.981 -3.515 0.096 1.00 0.00 C ATOM 563 CG2 VAL A 38 -7.812 -5.607 -0.635 1.00 0.00 C ATOM 0 H VAL A 38 -6.325 -6.184 1.459 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.232 -3.626 0.386 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.640 -5.241 1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.902 -3.902 -0.340 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.221 -2.893 0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.451 -2.918 -0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.752 -5.960 -1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.248 -5.069 -1.397 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.229 -6.459 -0.287 1.00 0.00 H new ATOM 573 N THR A 39 -7.480 -3.809 3.452 1.00 0.00 N ATOM 574 CA THR A 39 -7.791 -3.026 4.640 1.00 0.00 C ATOM 575 C THR A 39 -6.566 -2.228 5.072 1.00 0.00 C ATOM 576 O THR A 39 -6.658 -1.038 5.368 1.00 0.00 O ATOM 577 CB THR A 39 -8.258 -3.939 5.779 1.00 0.00 C ATOM 578 OG1 THR A 39 -8.185 -5.301 5.395 1.00 0.00 O ATOM 579 CG2 THR A 39 -9.678 -3.663 6.221 1.00 0.00 C ATOM 0 H THR A 39 -7.574 -4.817 3.573 1.00 0.00 H new ATOM 0 HA THR A 39 -8.599 -2.334 4.401 1.00 0.00 H new ATOM 0 HB THR A 39 -7.586 -3.728 6.611 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.246 -5.569 5.316 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.946 -4.343 7.029 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.756 -2.634 6.572 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.356 -3.813 5.381 1.00 0.00 H new ATOM 587 N VAL A 40 -5.415 -2.899 5.103 1.00 0.00 N ATOM 588 CA VAL A 40 -4.166 -2.256 5.497 1.00 0.00 C ATOM 589 C VAL A 40 -3.895 -1.026 4.636 1.00 0.00 C ATOM 590 O VAL A 40 -3.589 0.051 5.150 1.00 0.00 O ATOM 591 CB VAL A 40 -2.974 -3.226 5.372 1.00 0.00 C ATOM 592 CG1 VAL A 40 -1.702 -2.589 5.915 1.00 0.00 C ATOM 593 CG2 VAL A 40 -3.273 -4.535 6.088 1.00 0.00 C ATOM 0 H VAL A 40 -5.324 -3.885 4.860 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.274 -1.956 6.539 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.818 -3.444 4.315 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.873 -3.290 5.817 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.479 -1.683 5.351 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.842 -2.337 6.966 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.420 -5.207 5.989 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.459 -4.338 7.144 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.154 -4.999 5.645 1.00 0.00 H new ATOM 603 N VAL A 41 -4.019 -1.192 3.325 1.00 0.00 N ATOM 604 CA VAL A 41 -3.797 -0.093 2.396 1.00 0.00 C ATOM 605 C VAL A 41 -4.881 0.969 2.540 1.00 0.00 C ATOM 606 O VAL A 41 -4.598 2.167 2.512 1.00 0.00 O ATOM 607 CB VAL A 41 -3.770 -0.586 0.936 1.00 0.00 C ATOM 608 CG1 VAL A 41 -3.359 0.541 0.001 1.00 0.00 C ATOM 609 CG2 VAL A 41 -2.838 -1.781 0.791 1.00 0.00 C ATOM 0 H VAL A 41 -4.272 -2.076 2.883 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.827 0.340 2.642 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.775 -0.907 0.660 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.345 0.175 -1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.072 1.361 0.084 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.365 0.895 0.273 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.833 -2.114 -0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.829 -1.493 1.085 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.185 -2.592 1.431 1.00 0.00 H new ATOM 619 N GLU A 42 -6.123 0.522 2.697 1.00 0.00 N ATOM 620 CA GLU A 42 -7.253 1.433 2.846 1.00 0.00 C ATOM 621 C GLU A 42 -7.039 2.387 4.018 1.00 0.00 C ATOM 622 O GLU A 42 -7.293 3.588 3.906 1.00 0.00 O ATOM 623 CB GLU A 42 -8.549 0.642 3.040 1.00 0.00 C ATOM 624 CG GLU A 42 -9.540 0.816 1.900 1.00 0.00 C ATOM 625 CD GLU A 42 -10.813 1.518 2.333 1.00 0.00 C ATOM 626 OE1 GLU A 42 -10.773 2.750 2.533 1.00 0.00 O ATOM 627 OE2 GLU A 42 -11.849 0.835 2.474 1.00 0.00 O ATOM 0 H GLU A 42 -6.373 -0.467 2.724 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.331 2.026 1.935 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.308 -0.416 3.144 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.020 0.954 3.972 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.070 1.387 1.099 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.791 -0.162 1.490 1.00 0.00 H new ATOM 634 N ASP A 43 -6.561 1.852 5.137 1.00 0.00 N ATOM 635 CA ASP A 43 -6.310 2.674 6.313 1.00 0.00 C ATOM 636 C ASP A 43 -5.097 3.567 6.083 1.00 0.00 C ATOM 637 O ASP A 43 -5.092 4.727 6.483 1.00 0.00 O ATOM 638 CB ASP A 43 -6.111 1.810 7.561 1.00 0.00 C ATOM 639 CG ASP A 43 -4.957 0.838 7.428 1.00 0.00 C ATOM 640 OD1 ASP A 43 -3.806 1.298 7.272 1.00 0.00 O ATOM 641 OD2 ASP A 43 -5.204 -0.383 7.490 1.00 0.00 O ATOM 0 H ASP A 43 -6.342 0.863 5.253 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.184 3.303 6.479 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.937 2.457 8.421 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.027 1.254 7.761 1.00 0.00 H new ATOM 646 N TRP A 44 -4.082 3.024 5.417 1.00 0.00 N ATOM 647 CA TRP A 44 -2.869 3.779 5.111 1.00 0.00 C ATOM 648 C TRP A 44 -3.198 4.987 4.239 1.00 0.00 C ATOM 649 O TRP A 44 -2.656 6.075 4.432 1.00 0.00 O ATOM 650 CB TRP A 44 -1.868 2.889 4.368 1.00 0.00 C ATOM 651 CG TRP A 44 -0.925 2.138 5.259 1.00 0.00 C ATOM 652 CD1 TRP A 44 -0.691 2.352 6.588 1.00 0.00 C ATOM 653 CD2 TRP A 44 -0.079 1.048 4.873 1.00 0.00 C ATOM 654 NE1 TRP A 44 0.249 1.461 7.050 1.00 0.00 N ATOM 655 CE2 TRP A 44 0.639 0.649 6.015 1.00 0.00 C ATOM 656 CE3 TRP A 44 0.138 0.371 3.669 1.00 0.00 C ATOM 657 CZ2 TRP A 44 1.559 -0.397 5.987 1.00 0.00 C ATOM 658 CZ3 TRP A 44 1.050 -0.666 3.644 1.00 0.00 C ATOM 659 CH2 TRP A 44 1.751 -1.041 4.796 1.00 0.00 C ATOM 0 H TRP A 44 -4.075 2.062 5.078 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.434 4.119 6.051 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.420 2.173 3.758 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.287 3.509 3.685 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.173 3.110 7.188 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.599 1.412 8.007 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.398 0.654 2.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.101 -0.689 6.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.225 -1.197 2.720 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.458 -1.856 4.743 1.00 0.00 H new ATOM 670 N MET A 45 -4.083 4.776 3.268 1.00 0.00 N ATOM 671 CA MET A 45 -4.481 5.833 2.347 1.00 0.00 C ATOM 672 C MET A 45 -5.344 6.884 3.032 1.00 0.00 C ATOM 673 O MET A 45 -5.177 8.081 2.794 1.00 0.00 O ATOM 674 CB MET A 45 -5.233 5.244 1.150 1.00 0.00 C ATOM 675 CG MET A 45 -4.382 4.338 0.275 1.00 0.00 C ATOM 676 SD MET A 45 -4.973 4.262 -1.426 1.00 0.00 S ATOM 677 CE MET A 45 -6.500 3.349 -1.213 1.00 0.00 C ATOM 0 H MET A 45 -4.538 3.879 3.100 1.00 0.00 H new ATOM 0 HA MET A 45 -3.570 6.320 1.999 1.00 0.00 H new ATOM 0 HB2 MET A 45 -6.091 4.680 1.514 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.623 6.060 0.541 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.352 4.695 0.282 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.374 3.334 0.698 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.985 3.220 -2.181 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.282 2.371 -0.783 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.163 3.899 -0.545 1.00 0.00 H new ATOM 687 N ASN A 46 -6.262 6.447 3.890 1.00 0.00 N ATOM 688 CA ASN A 46 -7.129 7.378 4.601 1.00 0.00 C ATOM 689 C ASN A 46 -6.344 8.101 5.685 1.00 0.00 C ATOM 690 O ASN A 46 -6.577 9.280 5.959 1.00 0.00 O ATOM 691 CB ASN A 46 -8.317 6.638 5.216 1.00 0.00 C ATOM 692 CG ASN A 46 -9.510 6.581 4.282 1.00 0.00 C ATOM 693 OD1 ASN A 46 -10.501 7.283 4.478 1.00 0.00 O ATOM 694 ND2 ASN A 46 -9.420 5.740 3.258 1.00 0.00 N ATOM 0 H ASN A 46 -6.423 5.464 4.107 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.508 8.112 3.890 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.014 5.624 5.476 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.608 7.132 6.143 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.192 5.658 2.596 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.579 5.176 3.133 1.00 0.00 H new ATOM 701 N PHE A 47 -5.407 7.385 6.293 1.00 0.00 N ATOM 702 CA PHE A 47 -4.573 7.948 7.343 1.00 0.00 C ATOM 703 C PHE A 47 -3.685 9.051 6.776 1.00 0.00 C ATOM 704 O PHE A 47 -3.518 10.099 7.396 1.00 0.00 O ATOM 705 CB PHE A 47 -3.732 6.843 8.003 1.00 0.00 C ATOM 706 CG PHE A 47 -2.274 7.173 8.169 1.00 0.00 C ATOM 707 CD1 PHE A 47 -1.851 8.004 9.193 1.00 0.00 C ATOM 708 CD2 PHE A 47 -1.330 6.648 7.300 1.00 0.00 C ATOM 709 CE1 PHE A 47 -0.512 8.306 9.346 1.00 0.00 C ATOM 710 CE2 PHE A 47 0.008 6.948 7.449 1.00 0.00 C ATOM 711 CZ PHE A 47 0.418 7.777 8.474 1.00 0.00 C ATOM 0 H PHE A 47 -5.206 6.409 6.075 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.213 8.389 8.108 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.154 6.622 8.983 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.819 5.935 7.406 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.575 8.420 9.878 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.646 5.997 6.498 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.193 8.956 10.147 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.734 6.535 6.765 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.465 8.011 8.593 1.00 0.00 H new ATOM 721 N TYR A 48 -3.124 8.814 5.592 1.00 0.00 N ATOM 722 CA TYR A 48 -2.262 9.802 4.958 1.00 0.00 C ATOM 723 C TYR A 48 -3.069 11.012 4.508 1.00 0.00 C ATOM 724 O TYR A 48 -2.657 12.154 4.713 1.00 0.00 O ATOM 725 CB TYR A 48 -1.530 9.192 3.766 1.00 0.00 C ATOM 726 CG TYR A 48 -0.235 8.505 4.141 1.00 0.00 C ATOM 727 CD1 TYR A 48 0.682 9.120 4.987 1.00 0.00 C ATOM 728 CD2 TYR A 48 0.068 7.242 3.651 1.00 0.00 C ATOM 729 CE1 TYR A 48 1.864 8.493 5.332 1.00 0.00 C ATOM 730 CE2 TYR A 48 1.249 6.610 3.991 1.00 0.00 C ATOM 731 CZ TYR A 48 2.143 7.239 4.831 1.00 0.00 C ATOM 732 OH TYR A 48 3.319 6.612 5.172 1.00 0.00 O ATOM 0 H TYR A 48 -3.251 7.954 5.058 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.526 10.127 5.693 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.186 8.472 3.277 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.319 9.976 3.039 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.467 10.103 5.380 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.630 6.745 2.994 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.566 8.983 5.991 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.471 5.628 3.600 1.00 0.00 H new ATOM 0 HH TYR A 48 3.361 5.735 4.736 1.00 0.00 H new ATOM 742 N ILE A 49 -4.221 10.762 3.895 1.00 0.00 N ATOM 743 CA ILE A 49 -5.073 11.845 3.426 1.00 0.00 C ATOM 744 C ILE A 49 -5.383 12.811 4.571 1.00 0.00 C ATOM 745 O ILE A 49 -5.121 14.009 4.464 1.00 0.00 O ATOM 746 CB ILE A 49 -6.378 11.296 2.770 1.00 0.00 C ATOM 747 CG1 ILE A 49 -6.546 11.845 1.346 1.00 0.00 C ATOM 748 CG2 ILE A 49 -7.619 11.615 3.601 1.00 0.00 C ATOM 749 CD1 ILE A 49 -5.274 11.844 0.524 1.00 0.00 C ATOM 0 H ILE A 49 -4.583 9.826 3.713 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.535 12.396 2.655 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.277 10.212 2.726 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.300 11.253 0.828 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.926 12.865 1.405 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.502 11.213 3.105 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.521 11.164 4.589 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -7.720 12.695 3.704 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.481 12.247 -0.467 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.522 12.460 1.017 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.902 10.824 0.430 1.00 0.00 H new ATOM 761 N ASN A 50 -5.908 12.278 5.676 1.00 0.00 N ATOM 762 CA ASN A 50 -6.221 13.096 6.844 1.00 0.00 C ATOM 763 C ASN A 50 -4.947 13.737 7.385 1.00 0.00 C ATOM 764 O ASN A 50 -4.949 14.880 7.842 1.00 0.00 O ATOM 765 CB ASN A 50 -6.881 12.247 7.931 1.00 0.00 C ATOM 766 CG ASN A 50 -7.831 13.052 8.795 1.00 0.00 C ATOM 767 OD1 ASN A 50 -8.659 13.809 8.288 1.00 0.00 O ATOM 768 ND2 ASN A 50 -7.718 12.894 10.109 1.00 0.00 N ATOM 0 H ASN A 50 -6.124 11.287 5.784 1.00 0.00 H new ATOM 0 HA ASN A 50 -6.917 13.879 6.545 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.425 11.425 7.466 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.109 11.803 8.560 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.331 13.411 10.739 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.018 12.256 10.488 1.00 0.00 H new ATOM 775 N TYR A 51 -3.862 12.978 7.316 1.00 0.00 N ATOM 776 CA TYR A 51 -2.554 13.427 7.778 1.00 0.00 C ATOM 777 C TYR A 51 -2.116 14.682 7.034 1.00 0.00 C ATOM 778 O TYR A 51 -1.591 15.621 7.631 1.00 0.00 O ATOM 779 CB TYR A 51 -1.540 12.300 7.554 1.00 0.00 C ATOM 780 CG TYR A 51 -0.162 12.540 8.129 1.00 0.00 C ATOM 781 CD1 TYR A 51 0.595 13.649 7.769 1.00 0.00 C ATOM 782 CD2 TYR A 51 0.391 11.631 9.022 1.00 0.00 C ATOM 783 CE1 TYR A 51 1.859 13.845 8.288 1.00 0.00 C ATOM 784 CE2 TYR A 51 1.654 11.820 9.543 1.00 0.00 C ATOM 785 CZ TYR A 51 2.385 12.929 9.175 1.00 0.00 C ATOM 786 OH TYR A 51 3.646 13.121 9.692 1.00 0.00 O ATOM 0 H TYR A 51 -3.863 12.031 6.937 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.612 13.672 8.839 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.941 11.383 7.987 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.443 12.130 6.482 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.188 14.368 7.073 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.178 10.761 9.314 1.00 0.00 H new ATOM 0 HE1 TYR A 51 2.434 14.713 8.000 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.068 11.103 10.236 1.00 0.00 H new ATOM 0 HH TYR A 51 3.865 12.386 10.301 1.00 0.00 H new ATOM 796 N TYR A 52 -2.314 14.679 5.722 1.00 0.00 N ATOM 797 CA TYR A 52 -1.920 15.803 4.887 1.00 0.00 C ATOM 798 C TYR A 52 -2.867 16.995 5.022 1.00 0.00 C ATOM 799 O TYR A 52 -2.441 18.139 4.886 1.00 0.00 O ATOM 800 CB TYR A 52 -1.836 15.362 3.429 1.00 0.00 C ATOM 801 CG TYR A 52 -0.827 14.266 3.195 1.00 0.00 C ATOM 802 CD1 TYR A 52 0.484 14.387 3.646 1.00 0.00 C ATOM 803 CD2 TYR A 52 -1.185 13.107 2.527 1.00 0.00 C ATOM 804 CE1 TYR A 52 1.405 13.383 3.434 1.00 0.00 C ATOM 805 CE2 TYR A 52 -0.273 12.097 2.313 1.00 0.00 C ATOM 806 CZ TYR A 52 1.019 12.237 2.767 1.00 0.00 C ATOM 807 OH TYR A 52 1.922 11.226 2.554 1.00 0.00 O ATOM 0 H TYR A 52 -2.746 13.908 5.213 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.940 16.134 5.231 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.818 15.018 3.103 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.578 16.222 2.811 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.785 15.282 4.171 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.197 12.993 2.167 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.420 13.492 3.787 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.570 11.199 1.791 1.00 0.00 H new ATOM 0 HH TYR A 52 1.731 10.483 3.163 1.00 0.00 H new ATOM 817 N ARG A 53 -4.145 16.738 5.295 1.00 0.00 N ATOM 818 CA ARG A 53 -5.109 17.834 5.442 1.00 0.00 C ATOM 819 C ARG A 53 -4.708 18.751 6.590 1.00 0.00 C ATOM 820 O ARG A 53 -4.993 19.949 6.571 1.00 0.00 O ATOM 821 CB ARG A 53 -6.533 17.318 5.695 1.00 0.00 C ATOM 822 CG ARG A 53 -6.840 15.973 5.066 1.00 0.00 C ATOM 823 CD ARG A 53 -8.320 15.633 5.168 1.00 0.00 C ATOM 824 NE ARG A 53 -9.133 16.437 4.257 1.00 0.00 N ATOM 825 CZ ARG A 53 -9.284 16.166 2.963 1.00 0.00 C ATOM 826 NH1 ARG A 53 -8.677 15.117 2.420 1.00 0.00 N ATOM 827 NH2 ARG A 53 -10.044 16.947 2.207 1.00 0.00 N ATOM 0 H ARG A 53 -4.534 15.803 5.417 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.101 18.386 4.502 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.693 17.246 6.771 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.244 18.052 5.316 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.540 15.983 4.018 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.253 15.198 5.558 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.465 14.576 4.945 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.658 15.792 6.192 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.613 17.254 4.636 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.090 14.513 2.996 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.797 14.915 1.427 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.512 17.755 2.618 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.160 16.740 1.215 1.00 0.00 H new ATOM 841 N GLN A 54 -4.071 18.175 7.600 1.00 0.00 N ATOM 842 CA GLN A 54 -3.655 18.927 8.774 1.00 0.00 C ATOM 843 C GLN A 54 -2.221 19.441 8.658 1.00 0.00 C ATOM 844 O GLN A 54 -1.793 20.269 9.462 1.00 0.00 O ATOM 845 CB GLN A 54 -3.786 18.047 10.019 1.00 0.00 C ATOM 846 CG GLN A 54 -5.180 18.054 10.625 1.00 0.00 C ATOM 847 CD GLN A 54 -5.454 16.827 11.471 1.00 0.00 C ATOM 848 OE1 GLN A 54 -5.598 16.917 12.690 1.00 0.00 O ATOM 849 NE2 GLN A 54 -5.528 15.668 10.826 1.00 0.00 N ATOM 0 H GLN A 54 -3.830 17.184 7.629 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.308 19.796 8.854 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.517 17.023 9.760 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.071 18.385 10.769 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.301 18.947 11.237 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.919 18.112 9.826 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -5.402 15.639 9.814 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.710 14.808 11.343 1.00 0.00 H new ATOM 858 N GLN A 55 -1.466 18.938 7.683 1.00 0.00 N ATOM 859 CA GLN A 55 -0.074 19.351 7.523 1.00 0.00 C ATOM 860 C GLN A 55 0.143 20.264 6.314 1.00 0.00 C ATOM 861 O GLN A 55 1.155 20.147 5.624 1.00 0.00 O ATOM 862 CB GLN A 55 0.823 18.118 7.402 1.00 0.00 C ATOM 863 CG GLN A 55 0.909 17.299 8.680 1.00 0.00 C ATOM 864 CD GLN A 55 2.312 17.251 9.252 1.00 0.00 C ATOM 865 OE1 GLN A 55 3.113 18.164 9.045 1.00 0.00 O ATOM 866 NE2 GLN A 55 2.618 16.181 9.976 1.00 0.00 N ATOM 0 H GLN A 55 -1.790 18.253 7.000 1.00 0.00 H new ATOM 0 HA GLN A 55 0.189 19.926 8.411 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.448 17.484 6.599 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.826 18.435 7.116 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.233 17.721 9.423 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.568 16.283 8.479 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.923 15.448 10.122 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.548 16.092 10.386 1.00 0.00 H new ATOM 875 N VAL A 56 -0.781 21.189 6.068 1.00 0.00 N ATOM 876 CA VAL A 56 -0.630 22.121 4.949 1.00 0.00 C ATOM 877 C VAL A 56 -0.553 23.556 5.462 1.00 0.00 C ATOM 878 O VAL A 56 -1.073 23.868 6.533 1.00 0.00 O ATOM 879 CB VAL A 56 -1.778 22.021 3.912 1.00 0.00 C ATOM 880 CG1 VAL A 56 -1.221 22.008 2.498 1.00 0.00 C ATOM 881 CG2 VAL A 56 -2.652 20.801 4.150 1.00 0.00 C ATOM 0 H VAL A 56 -1.631 21.315 6.618 1.00 0.00 H new ATOM 0 HA VAL A 56 0.295 21.842 4.445 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.406 22.903 4.036 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.042 21.937 1.784 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.662 22.926 2.319 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.559 21.151 2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.444 20.769 3.402 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.045 19.899 4.075 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.095 20.859 5.144 1.00 0.00 H new ATOM 891 N THR A 57 0.099 24.428 4.697 1.00 0.00 N ATOM 892 CA THR A 57 0.244 25.830 5.078 1.00 0.00 C ATOM 893 C THR A 57 -0.313 26.737 3.986 1.00 0.00 C ATOM 894 O THR A 57 -0.645 26.273 2.896 1.00 0.00 O ATOM 895 CB THR A 57 1.715 26.164 5.342 1.00 0.00 C ATOM 896 OG1 THR A 57 2.530 25.015 5.184 1.00 0.00 O ATOM 897 CG2 THR A 57 1.964 26.714 6.731 1.00 0.00 C ATOM 0 H THR A 57 0.536 24.187 3.807 1.00 0.00 H new ATOM 0 HA THR A 57 -0.321 25.998 5.995 1.00 0.00 H new ATOM 0 HB THR A 57 1.970 26.932 4.612 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.465 25.251 5.356 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.026 26.930 6.852 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.390 27.630 6.868 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.656 25.978 7.474 1.00 0.00 H new ATOM 905 N GLY A 58 -0.405 28.033 4.273 1.00 0.00 N ATOM 906 CA GLY A 58 -0.911 28.972 3.290 1.00 0.00 C ATOM 907 C GLY A 58 -2.423 29.102 3.319 1.00 0.00 C ATOM 908 O GLY A 58 -3.052 28.886 4.354 1.00 0.00 O ATOM 0 H GLY A 58 -0.139 28.447 5.166 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.464 29.950 3.466 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.598 28.653 2.296 1.00 0.00 H new ATOM 912 N GLU A 59 -3.004 29.459 2.176 1.00 0.00 N ATOM 913 CA GLU A 59 -4.450 29.624 2.068 1.00 0.00 C ATOM 914 C GLU A 59 -5.156 28.271 2.066 1.00 0.00 C ATOM 915 O GLU A 59 -4.538 27.240 1.805 1.00 0.00 O ATOM 916 CB GLU A 59 -4.802 30.399 0.798 1.00 0.00 C ATOM 917 CG GLU A 59 -5.020 31.885 1.033 1.00 0.00 C ATOM 918 CD GLU A 59 -5.713 32.563 -0.134 1.00 0.00 C ATOM 919 OE1 GLU A 59 -6.864 32.188 -0.439 1.00 0.00 O ATOM 920 OE2 GLU A 59 -5.104 33.469 -0.741 1.00 0.00 O ATOM 0 H GLU A 59 -2.494 29.640 1.311 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.791 30.188 2.936 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.002 30.268 0.069 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.705 29.973 0.360 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.616 32.023 1.935 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.058 32.366 1.210 1.00 0.00 H new ATOM 927 N PRO A 60 -6.469 28.259 2.357 1.00 0.00 N ATOM 928 CA PRO A 60 -7.259 27.023 2.388 1.00 0.00 C ATOM 929 C PRO A 60 -7.423 26.395 1.007 1.00 0.00 C ATOM 930 O PRO A 60 -7.632 25.187 0.886 1.00 0.00 O ATOM 931 CB PRO A 60 -8.617 27.479 2.931 1.00 0.00 C ATOM 932 CG PRO A 60 -8.692 28.929 2.598 1.00 0.00 C ATOM 933 CD PRO A 60 -7.283 29.445 2.678 1.00 0.00 C ATOM 0 HA PRO A 60 -6.778 26.254 2.992 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.434 26.924 2.470 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -8.688 27.316 4.006 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.107 29.080 1.601 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.341 29.457 3.297 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.110 30.255 1.969 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.053 29.834 3.670 1.00 0.00 H new ATOM 941 N GLN A 61 -7.328 27.218 -0.033 1.00 0.00 N ATOM 942 CA GLN A 61 -7.469 26.735 -1.403 1.00 0.00 C ATOM 943 C GLN A 61 -6.310 25.822 -1.786 1.00 0.00 C ATOM 944 O GLN A 61 -6.510 24.765 -2.388 1.00 0.00 O ATOM 945 CB GLN A 61 -7.558 27.911 -2.378 1.00 0.00 C ATOM 946 CG GLN A 61 -6.429 28.920 -2.228 1.00 0.00 C ATOM 947 CD GLN A 61 -5.400 28.814 -3.336 1.00 0.00 C ATOM 948 OE1 GLN A 61 -4.683 27.819 -3.440 1.00 0.00 O ATOM 949 NE2 GLN A 61 -5.323 29.843 -4.173 1.00 0.00 N ATOM 0 H GLN A 61 -7.154 28.220 0.046 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.391 26.157 -1.461 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -7.556 27.526 -3.398 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.510 28.421 -2.232 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.846 29.927 -2.220 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -5.938 28.770 -1.266 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -5.937 30.648 -4.049 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.650 29.828 -4.939 1.00 0.00 H new ATOM 958 N GLU A 62 -5.099 26.229 -1.427 1.00 0.00 N ATOM 959 CA GLU A 62 -3.917 25.435 -1.733 1.00 0.00 C ATOM 960 C GLU A 62 -3.939 24.128 -0.953 1.00 0.00 C ATOM 961 O GLU A 62 -3.671 23.059 -1.508 1.00 0.00 O ATOM 962 CB GLU A 62 -2.635 26.215 -1.433 1.00 0.00 C ATOM 963 CG GLU A 62 -2.636 26.914 -0.085 1.00 0.00 C ATOM 964 CD GLU A 62 -1.308 27.576 0.221 1.00 0.00 C ATOM 965 OE1 GLU A 62 -0.332 26.850 0.505 1.00 0.00 O ATOM 966 OE2 GLU A 62 -1.243 28.823 0.178 1.00 0.00 O ATOM 0 H GLU A 62 -4.910 27.098 -0.927 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.931 25.207 -2.799 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.788 25.530 -1.475 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.483 26.958 -2.216 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.426 27.665 -0.068 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.867 26.190 0.697 1.00 0.00 H new ATOM 973 N ARG A 63 -4.281 24.203 0.335 1.00 0.00 N ATOM 974 CA ARG A 63 -4.353 23.006 1.159 1.00 0.00 C ATOM 975 C ARG A 63 -5.261 21.987 0.488 1.00 0.00 C ATOM 976 O ARG A 63 -4.898 20.826 0.313 1.00 0.00 O ATOM 977 CB ARG A 63 -4.909 23.341 2.545 1.00 0.00 C ATOM 978 CG ARG A 63 -4.365 24.630 3.134 1.00 0.00 C ATOM 979 CD ARG A 63 -4.191 24.515 4.636 1.00 0.00 C ATOM 980 NE ARG A 63 -4.064 25.820 5.279 1.00 0.00 N ATOM 981 CZ ARG A 63 -5.099 26.593 5.601 1.00 0.00 C ATOM 982 NH1 ARG A 63 -6.339 26.199 5.339 1.00 0.00 N ATOM 983 NH2 ARG A 63 -4.893 27.764 6.187 1.00 0.00 N ATOM 0 H ARG A 63 -4.509 25.071 0.820 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.349 22.596 1.271 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.995 23.412 2.482 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.682 22.519 3.224 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.407 24.869 2.671 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.043 25.452 2.906 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.044 23.985 5.059 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.305 23.918 4.853 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.127 26.159 5.494 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.504 25.299 4.888 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.127 26.796 5.588 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.942 28.072 6.391 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.685 28.357 6.434 1.00 0.00 H new ATOM 997 N ASP A 64 -6.457 22.441 0.128 1.00 0.00 N ATOM 998 CA ASP A 64 -7.442 21.581 -0.507 1.00 0.00 C ATOM 999 C ASP A 64 -6.914 20.966 -1.800 1.00 0.00 C ATOM 1000 O ASP A 64 -7.147 19.785 -2.061 1.00 0.00 O ATOM 1001 CB ASP A 64 -8.726 22.363 -0.787 1.00 0.00 C ATOM 1002 CG ASP A 64 -9.726 22.258 0.347 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -10.341 21.181 0.500 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -9.893 23.251 1.084 1.00 0.00 O ATOM 0 H ASP A 64 -6.766 23.403 0.267 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.656 20.766 0.184 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.480 23.412 -0.955 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.182 21.991 -1.705 1.00 0.00 H new ATOM 1009 N LYS A 65 -6.207 21.747 -2.620 1.00 0.00 N ATOM 1010 CA LYS A 65 -5.675 21.227 -3.876 1.00 0.00 C ATOM 1011 C LYS A 65 -4.646 20.134 -3.618 1.00 0.00 C ATOM 1012 O LYS A 65 -4.503 19.199 -4.408 1.00 0.00 O ATOM 1013 CB LYS A 65 -5.044 22.359 -4.693 1.00 0.00 C ATOM 1014 CG LYS A 65 -4.456 21.903 -6.020 1.00 0.00 C ATOM 1015 CD LYS A 65 -3.473 22.922 -6.573 1.00 0.00 C ATOM 1016 CE LYS A 65 -2.249 22.249 -7.175 1.00 0.00 C ATOM 1017 NZ LYS A 65 -2.447 21.914 -8.613 1.00 0.00 N ATOM 0 H LYS A 65 -5.993 22.728 -2.439 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.500 20.796 -4.443 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.799 23.122 -4.884 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.259 22.829 -4.100 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.953 20.946 -5.886 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.259 21.743 -6.739 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.966 23.529 -7.333 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.162 23.598 -5.777 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.386 22.907 -7.071 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.025 21.339 -6.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.590 21.457 -8.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.255 21.266 -8.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.635 22.785 -9.150 1.00 0.00 H new ATOM 1031 N ALA A 66 -3.940 20.248 -2.501 1.00 0.00 N ATOM 1032 CA ALA A 66 -2.940 19.255 -2.139 1.00 0.00 C ATOM 1033 C ALA A 66 -3.622 17.979 -1.663 1.00 0.00 C ATOM 1034 O ALA A 66 -3.134 16.872 -1.896 1.00 0.00 O ATOM 1035 CB ALA A 66 -2.016 19.801 -1.062 1.00 0.00 C ATOM 0 H ALA A 66 -4.041 21.013 -1.834 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.339 19.023 -3.018 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.274 19.046 -0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.512 20.693 -1.433 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.599 20.056 -0.177 1.00 0.00 H new ATOM 1041 N LEU A 67 -4.755 18.150 -0.992 1.00 0.00 N ATOM 1042 CA LEU A 67 -5.523 17.028 -0.469 1.00 0.00 C ATOM 1043 C LEU A 67 -6.208 16.253 -1.590 1.00 0.00 C ATOM 1044 O LEU A 67 -6.303 15.027 -1.536 1.00 0.00 O ATOM 1045 CB LEU A 67 -6.563 17.530 0.535 1.00 0.00 C ATOM 1046 CG LEU A 67 -6.051 17.721 1.967 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -4.651 18.319 1.972 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -7.009 18.600 2.758 1.00 0.00 C ATOM 0 H LEU A 67 -5.164 19.064 -0.796 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.833 16.351 0.034 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.959 18.481 0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.395 16.826 0.555 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.000 16.742 2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.312 18.444 3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.969 17.653 1.444 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.668 19.289 1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.633 18.727 3.773 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.090 19.575 2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.991 18.129 2.792 1.00 0.00 H new ATOM 1060 N GLN A 68 -6.673 16.967 -2.613 1.00 0.00 N ATOM 1061 CA GLN A 68 -7.330 16.321 -3.741 1.00 0.00 C ATOM 1062 C GLN A 68 -6.301 15.573 -4.577 1.00 0.00 C ATOM 1063 O GLN A 68 -6.502 14.412 -4.939 1.00 0.00 O ATOM 1064 CB GLN A 68 -8.083 17.349 -4.597 1.00 0.00 C ATOM 1065 CG GLN A 68 -7.180 18.284 -5.386 1.00 0.00 C ATOM 1066 CD GLN A 68 -7.962 19.257 -6.247 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -8.573 20.252 -5.613 1.00 0.00 O flip ATOM 1068 NE2 GLN A 68 -8.018 19.117 -7.469 1.00 0.00 N flip ATOM 0 H GLN A 68 -6.607 17.983 -2.682 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.060 15.607 -3.360 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.734 16.819 -5.292 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.726 17.944 -3.948 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.548 18.842 -4.695 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.517 17.695 -6.020 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.534 18.338 -7.916 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.549 19.780 -8.034 1.00 0.00 H new ATOM 1077 N GLU A 69 -5.186 16.239 -4.863 1.00 0.00 N ATOM 1078 CA GLU A 69 -4.117 15.626 -5.635 1.00 0.00 C ATOM 1079 C GLU A 69 -3.554 14.428 -4.882 1.00 0.00 C ATOM 1080 O GLU A 69 -3.158 13.432 -5.486 1.00 0.00 O ATOM 1081 CB GLU A 69 -3.006 16.640 -5.911 1.00 0.00 C ATOM 1082 CG GLU A 69 -2.065 16.221 -7.029 1.00 0.00 C ATOM 1083 CD GLU A 69 -0.617 16.161 -6.583 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -0.035 17.232 -6.311 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -0.066 15.042 -6.505 1.00 0.00 O ATOM 0 H GLU A 69 -5.002 17.199 -4.572 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.524 15.290 -6.588 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.456 17.599 -6.166 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.429 16.791 -4.999 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.366 15.243 -7.404 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.157 16.923 -7.858 1.00 0.00 H new ATOM 1092 N LEU A 70 -3.539 14.528 -3.556 1.00 0.00 N ATOM 1093 CA LEU A 70 -3.043 13.445 -2.719 1.00 0.00 C ATOM 1094 C LEU A 70 -3.933 12.222 -2.879 1.00 0.00 C ATOM 1095 O LEU A 70 -3.452 11.110 -3.095 1.00 0.00 O ATOM 1096 CB LEU A 70 -3.014 13.886 -1.252 1.00 0.00 C ATOM 1097 CG LEU A 70 -1.639 14.290 -0.713 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -0.803 13.055 -0.423 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -0.919 15.210 -1.690 1.00 0.00 C ATOM 0 H LEU A 70 -3.864 15.346 -3.041 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.029 13.191 -3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.695 14.729 -1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.401 13.073 -0.638 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.784 14.838 0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.172 13.357 -0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.309 12.439 0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.671 12.481 -1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.055 15.482 -1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.784 14.696 -2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.512 16.111 -1.845 1.00 0.00 H new ATOM 1111 N ARG A 71 -5.237 12.443 -2.761 1.00 0.00 N ATOM 1112 CA ARG A 71 -6.215 11.370 -2.883 1.00 0.00 C ATOM 1113 C ARG A 71 -6.048 10.639 -4.209 1.00 0.00 C ATOM 1114 O ARG A 71 -6.001 9.408 -4.246 1.00 0.00 O ATOM 1115 CB ARG A 71 -7.631 11.933 -2.769 1.00 0.00 C ATOM 1116 CG ARG A 71 -8.710 10.863 -2.717 1.00 0.00 C ATOM 1117 CD ARG A 71 -9.334 10.766 -1.333 1.00 0.00 C ATOM 1118 NE ARG A 71 -10.025 11.997 -0.958 1.00 0.00 N ATOM 1119 CZ ARG A 71 -11.222 12.347 -1.422 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -11.863 11.564 -2.281 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -11.781 13.483 -1.026 1.00 0.00 N ATOM 0 H ARG A 71 -5.643 13.361 -2.580 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.049 10.659 -2.073 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.697 12.548 -1.871 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.822 12.588 -3.619 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.484 11.089 -3.451 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.282 9.899 -2.992 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.037 9.934 -1.310 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.558 10.548 -0.600 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.562 12.626 -0.301 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.438 10.689 -2.589 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -12.780 11.837 -2.633 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.293 14.088 -0.366 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -12.699 13.751 -1.382 1.00 0.00 H new ATOM 1135 N GLN A 72 -5.935 11.396 -5.295 1.00 0.00 N ATOM 1136 CA GLN A 72 -5.749 10.799 -6.609 1.00 0.00 C ATOM 1137 C GLN A 72 -4.375 10.145 -6.685 1.00 0.00 C ATOM 1138 O GLN A 72 -4.200 9.090 -7.300 1.00 0.00 O ATOM 1139 CB GLN A 72 -5.886 11.860 -7.704 1.00 0.00 C ATOM 1140 CG GLN A 72 -7.278 12.463 -7.798 1.00 0.00 C ATOM 1141 CD GLN A 72 -8.046 11.970 -9.009 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -9.173 11.490 -8.890 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -7.438 12.088 -10.183 1.00 0.00 N ATOM 0 H GLN A 72 -5.969 12.415 -5.291 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.518 10.042 -6.764 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.166 12.657 -7.518 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -5.627 11.414 -8.664 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.837 12.220 -6.894 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.197 13.549 -7.841 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.503 12.492 -10.235 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.906 11.774 -11.033 1.00 0.00 H new ATOM 1152 N GLU A 73 -3.404 10.784 -6.040 1.00 0.00 N ATOM 1153 CA GLU A 73 -2.039 10.280 -6.015 1.00 0.00 C ATOM 1154 C GLU A 73 -1.984 8.906 -5.362 1.00 0.00 C ATOM 1155 O GLU A 73 -1.312 8.003 -5.862 1.00 0.00 O ATOM 1156 CB GLU A 73 -1.125 11.253 -5.266 1.00 0.00 C ATOM 1157 CG GLU A 73 0.353 10.939 -5.419 1.00 0.00 C ATOM 1158 CD GLU A 73 0.898 11.345 -6.774 1.00 0.00 C ATOM 1159 OE1 GLU A 73 0.493 10.731 -7.784 1.00 0.00 O ATOM 1160 OE2 GLU A 73 1.727 12.277 -6.826 1.00 0.00 O ATOM 0 H GLU A 73 -3.540 11.655 -5.527 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.691 10.189 -7.044 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.312 12.265 -5.626 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.383 11.239 -4.207 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.913 11.453 -4.638 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.511 9.870 -5.273 1.00 0.00 H new ATOM 1167 N LEU A 74 -2.715 8.735 -4.261 1.00 0.00 N ATOM 1168 CA LEU A 74 -2.762 7.451 -3.576 1.00 0.00 C ATOM 1169 C LEU A 74 -3.477 6.425 -4.444 1.00 0.00 C ATOM 1170 O LEU A 74 -3.034 5.288 -4.581 1.00 0.00 O ATOM 1171 CB LEU A 74 -3.478 7.597 -2.230 1.00 0.00 C ATOM 1172 CG LEU A 74 -2.572 7.944 -1.049 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -3.370 8.621 0.055 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -1.879 6.696 -0.522 1.00 0.00 C ATOM 0 H LEU A 74 -3.279 9.467 -3.829 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.743 7.110 -3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.240 8.371 -2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.997 6.664 -2.009 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.807 8.640 -1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.708 8.861 0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.817 9.538 -0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.157 7.950 0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.238 6.963 0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.628 5.976 -0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.274 6.254 -1.314 1.00 0.00 H new ATOM 1186 N ASN A 75 -4.602 6.844 -5.014 1.00 0.00 N ATOM 1187 CA ASN A 75 -5.411 5.975 -5.861 1.00 0.00 C ATOM 1188 C ASN A 75 -4.564 5.343 -6.960 1.00 0.00 C ATOM 1189 O ASN A 75 -4.734 4.170 -7.292 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.570 6.763 -6.479 1.00 0.00 C ATOM 1191 CG ASN A 75 -7.899 6.445 -5.820 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -8.518 5.421 -6.107 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -8.343 7.325 -4.930 1.00 0.00 N ATOM 0 H ASN A 75 -4.976 7.786 -4.904 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.816 5.178 -5.238 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.369 7.831 -6.390 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -6.632 6.538 -7.544 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -9.231 7.165 -4.454 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.796 8.161 -4.723 1.00 0.00 H new ATOM 1200 N THR A 76 -3.643 6.122 -7.511 1.00 0.00 N ATOM 1201 CA THR A 76 -2.761 5.628 -8.563 1.00 0.00 C ATOM 1202 C THR A 76 -1.606 4.829 -7.963 1.00 0.00 C ATOM 1203 O THR A 76 -1.323 3.710 -8.386 1.00 0.00 O ATOM 1204 CB THR A 76 -2.216 6.791 -9.392 1.00 0.00 C ATOM 1205 OG1 THR A 76 -3.223 7.763 -9.616 1.00 0.00 O ATOM 1206 CG2 THR A 76 -1.682 6.366 -10.742 1.00 0.00 C ATOM 0 H THR A 76 -3.486 7.095 -7.249 1.00 0.00 H new ATOM 0 HA THR A 76 -3.340 4.972 -9.214 1.00 0.00 H new ATOM 0 HB THR A 76 -1.393 7.201 -8.806 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.379 8.269 -8.791 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.311 7.240 -11.278 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.869 5.653 -10.604 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.480 5.899 -11.318 1.00 0.00 H new ATOM 1214 N LEU A 77 -0.939 5.424 -6.980 1.00 0.00 N ATOM 1215 CA LEU A 77 0.198 4.792 -6.314 1.00 0.00 C ATOM 1216 C LEU A 77 -0.157 3.411 -5.757 1.00 0.00 C ATOM 1217 O LEU A 77 0.664 2.494 -5.787 1.00 0.00 O ATOM 1218 CB LEU A 77 0.706 5.694 -5.185 1.00 0.00 C ATOM 1219 CG LEU A 77 2.011 6.432 -5.484 1.00 0.00 C ATOM 1220 CD1 LEU A 77 2.263 7.513 -4.444 1.00 0.00 C ATOM 1221 CD2 LEU A 77 3.176 5.455 -5.534 1.00 0.00 C ATOM 0 H LEU A 77 -1.168 6.352 -6.623 1.00 0.00 H new ATOM 0 HA LEU A 77 0.981 4.654 -7.059 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.065 6.429 -4.953 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.846 5.087 -4.291 1.00 0.00 H new ATOM 0 HG LEU A 77 1.921 6.910 -6.460 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.196 8.028 -4.673 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.441 8.229 -4.457 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.333 7.058 -3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.097 5.998 -5.748 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.268 4.949 -4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.999 4.718 -6.317 1.00 0.00 H new ATOM 1233 N ALA A 78 -1.371 3.274 -5.234 1.00 0.00 N ATOM 1234 CA ALA A 78 -1.825 2.011 -4.654 1.00 0.00 C ATOM 1235 C ALA A 78 -2.172 0.973 -5.721 1.00 0.00 C ATOM 1236 O ALA A 78 -2.095 -0.230 -5.474 1.00 0.00 O ATOM 1237 CB ALA A 78 -3.025 2.254 -3.752 1.00 0.00 C ATOM 0 H ALA A 78 -2.062 4.024 -5.199 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.000 1.608 -4.067 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.356 1.308 -3.324 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.745 2.936 -2.950 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.835 2.692 -4.335 1.00 0.00 H new ATOM 1243 N ASN A 79 -2.576 1.441 -6.898 1.00 0.00 N ATOM 1244 CA ASN A 79 -2.961 0.545 -7.988 1.00 0.00 C ATOM 1245 C ASN A 79 -1.890 -0.514 -8.271 1.00 0.00 C ATOM 1246 O ASN A 79 -2.199 -1.702 -8.356 1.00 0.00 O ATOM 1247 CB ASN A 79 -3.236 1.354 -9.258 1.00 0.00 C ATOM 1248 CG ASN A 79 -4.364 0.768 -10.083 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -4.243 -0.328 -10.632 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -5.470 1.497 -10.176 1.00 0.00 N ATOM 0 H ASN A 79 -2.646 2.433 -7.123 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.866 0.024 -7.677 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.484 2.380 -8.986 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.330 1.395 -9.863 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.263 1.154 -10.719 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.527 2.400 -9.705 1.00 0.00 H new ATOM 1257 N PRO A 80 -0.618 -0.104 -8.431 1.00 0.00 N ATOM 1258 CA PRO A 80 0.478 -1.039 -8.715 1.00 0.00 C ATOM 1259 C PRO A 80 0.810 -1.949 -7.534 1.00 0.00 C ATOM 1260 O PRO A 80 1.207 -3.101 -7.724 1.00 0.00 O ATOM 1261 CB PRO A 80 1.661 -0.119 -9.027 1.00 0.00 C ATOM 1262 CG PRO A 80 1.346 1.153 -8.322 1.00 0.00 C ATOM 1263 CD PRO A 80 -0.150 1.290 -8.368 1.00 0.00 C ATOM 0 HA PRO A 80 0.219 -1.721 -9.525 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.599 -0.546 -8.673 1.00 0.00 H new ATOM 0 HB3 PRO A 80 1.768 0.039 -10.100 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.704 1.128 -7.293 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.831 1.999 -8.808 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.534 1.803 -7.486 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.475 1.863 -9.237 1.00 0.00 H new ATOM 1271 N PHE A 81 0.645 -1.440 -6.316 1.00 0.00 N ATOM 1272 CA PHE A 81 0.933 -2.220 -5.116 1.00 0.00 C ATOM 1273 C PHE A 81 -0.011 -3.411 -5.002 1.00 0.00 C ATOM 1274 O PHE A 81 0.426 -4.553 -4.860 1.00 0.00 O ATOM 1275 CB PHE A 81 0.797 -1.325 -3.882 1.00 0.00 C ATOM 1276 CG PHE A 81 0.965 -2.044 -2.572 1.00 0.00 C ATOM 1277 CD1 PHE A 81 1.923 -3.034 -2.423 1.00 0.00 C ATOM 1278 CD2 PHE A 81 0.168 -1.717 -1.486 1.00 0.00 C ATOM 1279 CE1 PHE A 81 2.081 -3.685 -1.214 1.00 0.00 C ATOM 1280 CE2 PHE A 81 0.323 -2.363 -0.276 1.00 0.00 C ATOM 1281 CZ PHE A 81 1.281 -3.349 -0.139 1.00 0.00 C ATOM 0 H PHE A 81 0.314 -0.493 -6.134 1.00 0.00 H new ATOM 0 HA PHE A 81 1.952 -2.600 -5.183 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.538 -0.528 -3.943 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.184 -0.850 -3.899 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.552 -3.300 -3.260 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.583 -0.948 -1.588 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.830 -4.456 -1.110 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.304 -2.098 0.563 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.404 -3.856 0.807 1.00 0.00 H new ATOM 1291 N LEU A 82 -1.311 -3.134 -5.060 1.00 0.00 N ATOM 1292 CA LEU A 82 -2.322 -4.179 -4.956 1.00 0.00 C ATOM 1293 C LEU A 82 -2.093 -5.272 -5.993 1.00 0.00 C ATOM 1294 O LEU A 82 -2.289 -6.455 -5.712 1.00 0.00 O ATOM 1295 CB LEU A 82 -3.721 -3.584 -5.120 1.00 0.00 C ATOM 1296 CG LEU A 82 -4.202 -2.730 -3.946 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -5.479 -1.989 -4.312 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -4.420 -3.594 -2.713 1.00 0.00 C ATOM 0 H LEU A 82 -1.688 -2.194 -5.179 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.240 -4.627 -3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.737 -2.974 -6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.430 -4.398 -5.272 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.432 -1.993 -3.718 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.806 -1.387 -3.464 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.291 -1.340 -5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.257 -2.709 -4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.762 -2.970 -1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.171 -4.354 -2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.483 -4.078 -2.438 1.00 0.00 H new ATOM 1310 N ALA A 83 -1.672 -4.877 -7.190 1.00 0.00 N ATOM 1311 CA ALA A 83 -1.414 -5.836 -8.255 1.00 0.00 C ATOM 1312 C ALA A 83 -0.246 -6.743 -7.888 1.00 0.00 C ATOM 1313 O ALA A 83 -0.317 -7.960 -8.054 1.00 0.00 O ATOM 1314 CB ALA A 83 -1.138 -5.111 -9.563 1.00 0.00 C ATOM 0 H ALA A 83 -1.503 -3.904 -7.445 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.300 -6.457 -8.384 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.947 -5.840 -10.350 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.003 -4.505 -9.832 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.266 -4.467 -9.445 1.00 0.00 H new ATOM 1320 N LYS A 84 0.829 -6.142 -7.383 1.00 0.00 N ATOM 1321 CA LYS A 84 2.009 -6.903 -6.989 1.00 0.00 C ATOM 1322 C LYS A 84 1.652 -7.949 -5.936 1.00 0.00 C ATOM 1323 O LYS A 84 2.134 -9.083 -5.980 1.00 0.00 O ATOM 1324 CB LYS A 84 3.092 -5.966 -6.448 1.00 0.00 C ATOM 1325 CG LYS A 84 4.245 -5.746 -7.414 1.00 0.00 C ATOM 1326 CD LYS A 84 5.132 -6.978 -7.511 1.00 0.00 C ATOM 1327 CE LYS A 84 6.073 -7.081 -6.321 1.00 0.00 C ATOM 1328 NZ LYS A 84 5.406 -7.686 -5.135 1.00 0.00 N ATOM 0 H LYS A 84 0.906 -5.135 -7.238 1.00 0.00 H new ATOM 0 HA LYS A 84 2.392 -7.415 -7.872 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.641 -5.003 -6.209 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.483 -6.375 -5.516 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.853 -5.500 -8.401 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.839 -4.893 -7.085 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.511 -7.872 -7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.712 -6.938 -8.433 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.940 -7.682 -6.595 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.442 -6.088 -6.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.048 -8.370 -4.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.165 -6.939 -4.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.538 -8.173 -5.436 1.00 0.00 H new ATOM 1342 N TYR A 85 0.797 -7.565 -4.991 1.00 0.00 N ATOM 1343 CA TYR A 85 0.382 -8.480 -3.937 1.00 0.00 C ATOM 1344 C TYR A 85 -0.588 -9.522 -4.478 1.00 0.00 C ATOM 1345 O TYR A 85 -0.581 -10.673 -4.044 1.00 0.00 O ATOM 1346 CB TYR A 85 -0.249 -7.720 -2.770 1.00 0.00 C ATOM 1347 CG TYR A 85 0.250 -8.194 -1.423 1.00 0.00 C ATOM 1348 CD1 TYR A 85 1.602 -8.133 -1.105 1.00 0.00 C ATOM 1349 CD2 TYR A 85 -0.624 -8.709 -0.476 1.00 0.00 C ATOM 1350 CE1 TYR A 85 2.067 -8.571 0.120 1.00 0.00 C ATOM 1351 CE2 TYR A 85 -0.167 -9.148 0.752 1.00 0.00 C ATOM 1352 CZ TYR A 85 1.180 -9.077 1.044 1.00 0.00 C ATOM 1353 OH TYR A 85 1.641 -9.513 2.264 1.00 0.00 O ATOM 0 H TYR A 85 0.383 -6.635 -4.935 1.00 0.00 H new ATOM 0 HA TYR A 85 1.271 -8.993 -3.570 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -0.036 -6.656 -2.877 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.332 -7.834 -2.812 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.300 -7.737 -1.827 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -1.678 -8.768 -0.702 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.120 -8.517 0.352 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.860 -9.544 1.479 1.00 0.00 H new ATOM 0 HH TYR A 85 1.783 -8.744 2.854 1.00 0.00 H new ATOM 1363 N ARG A 86 -1.408 -9.121 -5.444 1.00 0.00 N ATOM 1364 CA ARG A 86 -2.364 -10.037 -6.052 1.00 0.00 C ATOM 1365 C ARG A 86 -1.618 -11.178 -6.734 1.00 0.00 C ATOM 1366 O ARG A 86 -1.984 -12.346 -6.602 1.00 0.00 O ATOM 1367 CB ARG A 86 -3.247 -9.299 -7.063 1.00 0.00 C ATOM 1368 CG ARG A 86 -4.724 -9.308 -6.698 1.00 0.00 C ATOM 1369 CD ARG A 86 -5.473 -10.404 -7.438 1.00 0.00 C ATOM 1370 NE ARG A 86 -6.753 -10.715 -6.805 1.00 0.00 N ATOM 1371 CZ ARG A 86 -6.881 -11.493 -5.733 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -5.811 -12.041 -5.170 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -8.083 -11.724 -5.220 1.00 0.00 N ATOM 0 H ARG A 86 -1.429 -8.173 -5.820 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.007 -10.446 -5.272 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.907 -8.267 -7.145 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.121 -9.755 -8.045 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.834 -9.453 -5.623 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.165 -8.340 -6.936 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.644 -10.094 -8.469 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.858 -11.303 -7.473 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.598 -10.312 -7.209 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.884 -11.867 -5.559 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.916 -12.636 -4.348 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.909 -11.305 -5.647 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -8.181 -12.320 -4.398 1.00 0.00 H new ATOM 1387 N ASP A 87 -0.551 -10.825 -7.444 1.00 0.00 N ATOM 1388 CA ASP A 87 0.275 -11.810 -8.128 1.00 0.00 C ATOM 1389 C ASP A 87 1.100 -12.594 -7.115 1.00 0.00 C ATOM 1390 O ASP A 87 1.398 -13.771 -7.314 1.00 0.00 O ATOM 1391 CB ASP A 87 1.196 -11.124 -9.140 1.00 0.00 C ATOM 1392 CG ASP A 87 0.482 -10.782 -10.433 1.00 0.00 C ATOM 1393 OD1 ASP A 87 -0.323 -9.826 -10.433 1.00 0.00 O ATOM 1394 OD2 ASP A 87 0.726 -11.470 -11.447 1.00 0.00 O ATOM 0 H ASP A 87 -0.239 -9.861 -7.560 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.377 -12.500 -8.664 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.600 -10.213 -8.700 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.042 -11.776 -9.357 1.00 0.00 H new ATOM 1399 N PHE A 88 1.458 -11.928 -6.020 1.00 0.00 N ATOM 1400 CA PHE A 88 2.241 -12.547 -4.956 1.00 0.00 C ATOM 1401 C PHE A 88 1.394 -13.542 -4.164 1.00 0.00 C ATOM 1402 O PHE A 88 1.908 -14.526 -3.634 1.00 0.00 O ATOM 1403 CB PHE A 88 2.795 -11.472 -4.021 1.00 0.00 C ATOM 1404 CG PHE A 88 3.771 -11.998 -3.008 1.00 0.00 C ATOM 1405 CD1 PHE A 88 4.778 -12.872 -3.382 1.00 0.00 C ATOM 1406 CD2 PHE A 88 3.681 -11.615 -1.680 1.00 0.00 C ATOM 1407 CE1 PHE A 88 5.678 -13.354 -2.452 1.00 0.00 C ATOM 1408 CE2 PHE A 88 4.578 -12.092 -0.745 1.00 0.00 C ATOM 1409 CZ PHE A 88 5.579 -12.963 -1.131 1.00 0.00 C ATOM 0 H PHE A 88 1.216 -10.952 -5.847 1.00 0.00 H new ATOM 0 HA PHE A 88 3.070 -13.089 -5.412 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.283 -10.701 -4.617 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.966 -10.994 -3.500 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.861 -13.180 -4.414 1.00 0.00 H new ATOM 0 HD2 PHE A 88 2.900 -10.935 -1.372 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.458 -14.036 -2.757 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.497 -11.785 0.287 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.282 -13.337 -0.402 1.00 0.00 H new ATOM 1419 N LEU A 89 0.091 -13.284 -4.106 1.00 0.00 N ATOM 1420 CA LEU A 89 -0.828 -14.170 -3.395 1.00 0.00 C ATOM 1421 C LEU A 89 -1.137 -15.400 -4.249 1.00 0.00 C ATOM 1422 O LEU A 89 -1.148 -16.530 -3.761 1.00 0.00 O ATOM 1423 CB LEU A 89 -2.127 -13.430 -3.060 1.00 0.00 C ATOM 1424 CG LEU A 89 -2.219 -12.878 -1.635 1.00 0.00 C ATOM 1425 CD1 LEU A 89 -2.357 -14.012 -0.630 1.00 0.00 C ATOM 1426 CD2 LEU A 89 -1.007 -12.015 -1.312 1.00 0.00 C ATOM 0 H LEU A 89 -0.352 -12.474 -4.540 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.355 -14.490 -2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.245 -12.603 -3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.964 -14.108 -3.224 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.108 -12.252 -1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.421 -13.600 0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.260 -14.582 -0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.489 -14.667 -0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.093 -11.633 -0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.100 -12.614 -1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.959 -11.179 -2.010 1.00 0.00 H new