USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 444 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.411 X(o=-0.41,f=-0.53) USER MOD Single : A 26 MET CE :methyl 157:sc= -1.62 (180deg=-1.93) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc=-0.000621 X(o=-0.00062,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 57 ASN : amide:sc= -0.369 X(o=-0.37,f=-0.28) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ASN A 8 2.184 -10.509 -3.253 1.00 0.00 N ATOM 67 CA ASN A 8 3.004 -9.868 -2.232 1.00 0.00 C ATOM 68 C ASN A 8 2.168 -8.919 -1.378 1.00 0.00 C ATOM 69 O ASN A 8 1.372 -8.136 -1.897 1.00 0.00 O ATOM 70 CB ASN A 8 4.159 -9.103 -2.882 1.00 0.00 C ATOM 71 CG ASN A 8 4.813 -9.887 -4.003 1.00 0.00 C ATOM 72 OD1 ASN A 8 5.240 -11.025 -3.812 1.00 0.00 O ATOM 73 ND2 ASN A 8 4.895 -9.279 -5.181 1.00 0.00 N ATOM 0 HA ASN A 8 3.410 -10.647 -1.586 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.789 -8.155 -3.273 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.906 -8.866 -2.124 1.00 0.00 H new ATOM 0 HD21 ASN A 8 5.326 -9.757 -5.973 1.00 0.00 H new ATOM 0 HD22 ASN A 8 4.527 -8.334 -5.294 1.00 0.00 H new ATOM 80 N THR A 9 2.355 -8.995 -0.063 1.00 0.00 N ATOM 81 CA THR A 9 1.618 -8.145 0.863 1.00 0.00 C ATOM 82 C THR A 9 2.519 -7.067 1.454 1.00 0.00 C ATOM 83 O THR A 9 3.737 -7.231 1.524 1.00 0.00 O ATOM 84 CB THR A 9 1.001 -8.967 2.010 1.00 0.00 C ATOM 85 OG1 THR A 9 0.687 -10.288 1.553 1.00 0.00 O ATOM 86 CG2 THR A 9 -0.258 -8.297 2.540 1.00 0.00 C ATOM 0 H THR A 9 3.010 -9.636 0.383 1.00 0.00 H new ATOM 0 HA THR A 9 0.818 -7.674 0.292 1.00 0.00 H new ATOM 0 HB THR A 9 1.730 -9.026 2.818 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.297 -10.805 2.289 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.676 -8.896 3.349 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.011 -7.303 2.914 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.990 -8.211 1.737 1.00 0.00 H new ATOM 94 N TYR A 10 1.913 -5.964 1.880 1.00 0.00 N ATOM 95 CA TYR A 10 2.661 -4.857 2.464 1.00 0.00 C ATOM 96 C TYR A 10 1.854 -4.175 3.565 1.00 0.00 C ATOM 97 O TYR A 10 0.624 -4.165 3.533 1.00 0.00 O ATOM 98 CB TYR A 10 3.033 -3.839 1.384 1.00 0.00 C ATOM 99 CG TYR A 10 4.043 -4.358 0.385 1.00 0.00 C ATOM 100 CD1 TYR A 10 3.700 -5.345 -0.531 1.00 0.00 C ATOM 101 CD2 TYR A 10 5.340 -3.860 0.357 1.00 0.00 C ATOM 102 CE1 TYR A 10 4.620 -5.822 -1.444 1.00 0.00 C ATOM 103 CE2 TYR A 10 6.266 -4.330 -0.554 1.00 0.00 C ATOM 104 CZ TYR A 10 5.901 -5.312 -1.452 1.00 0.00 C ATOM 105 OH TYR A 10 6.820 -5.783 -2.362 1.00 0.00 O ATOM 0 H TYR A 10 0.905 -5.813 1.832 1.00 0.00 H new ATOM 0 HA TYR A 10 3.573 -5.260 2.904 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.130 -3.539 0.853 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.433 -2.945 1.862 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.697 -5.746 -0.529 1.00 0.00 H new ATOM 0 HD2 TYR A 10 5.629 -3.092 1.060 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.337 -6.591 -2.148 1.00 0.00 H new ATOM 0 HE2 TYR A 10 7.270 -3.931 -0.563 1.00 0.00 H new ATOM 0 HH TYR A 10 7.674 -5.319 -2.235 1.00 0.00 H new ATOM 115 N VAL A 11 2.558 -3.606 4.538 1.00 0.00 N ATOM 116 CA VAL A 11 1.910 -2.919 5.649 1.00 0.00 C ATOM 117 C VAL A 11 2.269 -1.438 5.665 1.00 0.00 C ATOM 118 O VAL A 11 3.406 -1.062 5.382 1.00 0.00 O ATOM 119 CB VAL A 11 2.300 -3.546 7.001 1.00 0.00 C ATOM 120 CG1 VAL A 11 3.805 -3.469 7.210 1.00 0.00 C ATOM 121 CG2 VAL A 11 1.560 -2.861 8.139 1.00 0.00 C ATOM 0 H VAL A 11 3.577 -3.607 4.580 1.00 0.00 H new ATOM 0 HA VAL A 11 0.835 -3.027 5.504 1.00 0.00 H new ATOM 0 HB VAL A 11 2.011 -4.597 6.992 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.062 -3.917 8.170 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.312 -4.009 6.410 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.121 -2.426 7.200 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.848 -3.317 9.086 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.816 -1.801 8.154 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.486 -2.973 7.994 1.00 0.00 H new ATOM 131 N ALA A 12 1.293 -0.601 6.000 1.00 0.00 N ATOM 132 CA ALA A 12 1.507 0.840 6.056 1.00 0.00 C ATOM 133 C ALA A 12 2.319 1.227 7.287 1.00 0.00 C ATOM 134 O ALA A 12 2.247 0.566 8.324 1.00 0.00 O ATOM 135 CB ALA A 12 0.173 1.572 6.049 1.00 0.00 C ATOM 0 H ALA A 12 0.346 -0.896 6.237 1.00 0.00 H new ATOM 0 HA ALA A 12 2.074 1.133 5.173 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.348 2.647 6.091 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.371 1.328 5.136 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.415 1.266 6.914 1.00 0.00 H new ATOM 141 N LEU A 13 3.092 2.300 7.166 1.00 0.00 N ATOM 142 CA LEU A 13 3.919 2.775 8.270 1.00 0.00 C ATOM 143 C LEU A 13 3.435 4.133 8.768 1.00 0.00 C ATOM 144 O LEU A 13 3.633 4.486 9.931 1.00 0.00 O ATOM 145 CB LEU A 13 5.382 2.872 7.832 1.00 0.00 C ATOM 146 CG LEU A 13 5.955 1.639 7.132 1.00 0.00 C ATOM 147 CD1 LEU A 13 7.261 1.982 6.432 1.00 0.00 C ATOM 148 CD2 LEU A 13 6.164 0.508 8.129 1.00 0.00 C ATOM 0 H LEU A 13 3.164 2.858 6.315 1.00 0.00 H new ATOM 0 HA LEU A 13 3.837 2.058 9.087 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.484 3.726 7.162 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.991 3.082 8.711 1.00 0.00 H new ATOM 0 HG LEU A 13 5.239 1.306 6.380 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.654 1.093 5.939 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.082 2.759 5.689 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.984 2.340 7.165 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.572 -0.361 7.613 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.860 0.830 8.904 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.210 0.244 8.585 1.00 0.00 H new ATOM 160 N TYR A 14 2.798 4.890 7.881 1.00 0.00 N ATOM 161 CA TYR A 14 2.286 6.210 8.230 1.00 0.00 C ATOM 162 C TYR A 14 0.950 6.475 7.542 1.00 0.00 C ATOM 163 O TYR A 14 0.642 5.883 6.508 1.00 0.00 O ATOM 164 CB TYR A 14 3.296 7.291 7.842 1.00 0.00 C ATOM 165 CG TYR A 14 4.736 6.845 7.959 1.00 0.00 C ATOM 166 CD1 TYR A 14 5.396 6.875 9.181 1.00 0.00 C ATOM 167 CD2 TYR A 14 5.435 6.393 6.847 1.00 0.00 C ATOM 168 CE1 TYR A 14 6.712 6.469 9.292 1.00 0.00 C ATOM 169 CE2 TYR A 14 6.751 5.983 6.949 1.00 0.00 C ATOM 170 CZ TYR A 14 7.385 6.024 8.174 1.00 0.00 C ATOM 171 OH TYR A 14 8.695 5.617 8.280 1.00 0.00 O ATOM 0 H TYR A 14 2.624 4.612 6.915 1.00 0.00 H new ATOM 0 HA TYR A 14 2.131 6.238 9.309 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.104 7.604 6.816 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.142 8.164 8.476 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.872 7.222 10.059 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.942 6.361 5.887 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.211 6.500 10.249 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.280 5.633 6.075 1.00 0.00 H new ATOM 0 HH TYR A 14 9.021 5.332 7.401 1.00 0.00 H new ATOM 181 N LYS A 15 0.160 7.371 8.124 1.00 0.00 N ATOM 182 CA LYS A 15 -1.142 7.718 7.569 1.00 0.00 C ATOM 183 C LYS A 15 -0.989 8.579 6.319 1.00 0.00 C ATOM 184 O LYS A 15 -0.413 9.666 6.368 1.00 0.00 O ATOM 185 CB LYS A 15 -1.983 8.460 8.611 1.00 0.00 C ATOM 186 CG LYS A 15 -3.166 9.207 8.019 1.00 0.00 C ATOM 187 CD LYS A 15 -3.885 10.034 9.071 1.00 0.00 C ATOM 188 CE LYS A 15 -4.980 10.891 8.453 1.00 0.00 C ATOM 189 NZ LYS A 15 -6.191 10.090 8.123 1.00 0.00 N ATOM 0 H LYS A 15 0.399 7.870 8.981 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.649 6.793 7.293 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.348 7.744 9.348 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.346 9.168 9.142 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.821 9.858 7.216 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.862 8.495 7.576 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.319 9.373 9.821 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.168 10.673 9.586 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.250 11.689 9.144 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.602 11.367 7.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.914 10.710 7.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.939 9.344 7.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.567 9.656 8.990 1.00 0.00 H new ATOM 203 N PHE A 16 -1.508 8.086 5.199 1.00 0.00 N ATOM 204 CA PHE A 16 -1.429 8.810 3.936 1.00 0.00 C ATOM 205 C PHE A 16 -2.712 9.595 3.678 1.00 0.00 C ATOM 206 O PHE A 16 -3.813 9.104 3.925 1.00 0.00 O ATOM 207 CB PHE A 16 -1.171 7.839 2.782 1.00 0.00 C ATOM 208 CG PHE A 16 -0.806 8.521 1.495 1.00 0.00 C ATOM 209 CD1 PHE A 16 -1.782 9.111 0.707 1.00 0.00 C ATOM 210 CD2 PHE A 16 0.513 8.572 1.072 1.00 0.00 C ATOM 211 CE1 PHE A 16 -1.449 9.738 -0.478 1.00 0.00 C ATOM 212 CE2 PHE A 16 0.852 9.199 -0.112 1.00 0.00 C ATOM 213 CZ PHE A 16 -0.130 9.783 -0.888 1.00 0.00 C ATOM 0 H PHE A 16 -1.988 7.188 5.141 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.600 9.514 4.001 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.368 7.158 3.063 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.062 7.232 2.622 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.814 9.080 1.023 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.285 8.116 1.675 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.219 10.193 -1.084 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.884 9.232 -0.430 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.132 10.274 -1.813 1.00 0.00 H new ATOM 223 N VAL A 17 -2.560 10.818 3.179 1.00 0.00 N ATOM 224 CA VAL A 17 -3.705 11.671 2.886 1.00 0.00 C ATOM 225 C VAL A 17 -3.797 11.975 1.395 1.00 0.00 C ATOM 226 O VAL A 17 -3.161 12.897 0.884 1.00 0.00 O ATOM 227 CB VAL A 17 -3.630 12.998 3.665 1.00 0.00 C ATOM 228 CG1 VAL A 17 -4.842 13.865 3.361 1.00 0.00 C ATOM 229 CG2 VAL A 17 -3.516 12.732 5.159 1.00 0.00 C ATOM 0 H VAL A 17 -1.655 11.240 2.969 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.595 11.124 3.198 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.738 13.537 3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.771 14.798 3.920 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.875 14.083 2.294 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.750 13.336 3.651 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.464 13.680 5.694 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.388 12.172 5.496 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.614 12.153 5.358 1.00 0.00 H new ATOM 239 N PRO A 18 -4.607 11.182 0.679 1.00 0.00 N ATOM 240 CA PRO A 18 -4.803 11.347 -0.765 1.00 0.00 C ATOM 241 C PRO A 18 -5.582 12.614 -1.103 1.00 0.00 C ATOM 242 O PRO A 18 -6.691 12.820 -0.611 1.00 0.00 O ATOM 243 CB PRO A 18 -5.606 10.105 -1.158 1.00 0.00 C ATOM 244 CG PRO A 18 -6.314 9.701 0.089 1.00 0.00 C ATOM 245 CD PRO A 18 -5.396 10.063 1.223 1.00 0.00 C ATOM 0 HA PRO A 18 -3.856 11.445 -1.296 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.311 10.327 -1.959 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.954 9.310 -1.518 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.269 10.218 0.180 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.529 8.632 0.087 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.953 10.359 2.112 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.761 9.225 1.509 1.00 0.00 H new ATOM 253 N GLN A 19 -4.994 13.457 -1.945 1.00 0.00 N ATOM 254 CA GLN A 19 -5.634 14.704 -2.348 1.00 0.00 C ATOM 255 C GLN A 19 -6.706 14.449 -3.402 1.00 0.00 C ATOM 256 O GLN A 19 -7.713 15.154 -3.460 1.00 0.00 O ATOM 257 CB GLN A 19 -4.592 15.684 -2.890 1.00 0.00 C ATOM 258 CG GLN A 19 -5.188 16.993 -3.384 1.00 0.00 C ATOM 259 CD GLN A 19 -4.142 17.934 -3.947 1.00 0.00 C ATOM 260 OE1 GLN A 19 -3.936 17.998 -5.160 1.00 0.00 O ATOM 261 NE2 GLN A 19 -3.473 18.672 -3.068 1.00 0.00 N ATOM 0 H GLN A 19 -4.076 13.300 -2.361 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.110 15.140 -1.470 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.865 15.898 -2.107 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.050 15.210 -3.708 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.932 16.782 -4.152 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.708 17.484 -2.562 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.676 18.587 -2.072 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.757 19.323 -3.389 1.00 0.00 H new ATOM 270 N GLU A 20 -6.483 13.437 -4.235 1.00 0.00 N ATOM 271 CA GLU A 20 -7.430 13.091 -5.288 1.00 0.00 C ATOM 272 C GLU A 20 -7.615 11.579 -5.378 1.00 0.00 C ATOM 273 O GLU A 20 -6.777 10.811 -4.906 1.00 0.00 O ATOM 274 CB GLU A 20 -6.953 13.638 -6.634 1.00 0.00 C ATOM 275 CG GLU A 20 -5.748 12.903 -7.198 1.00 0.00 C ATOM 276 CD GLU A 20 -4.996 13.721 -8.230 1.00 0.00 C ATOM 277 OE1 GLU A 20 -5.468 13.800 -9.383 1.00 0.00 O ATOM 278 OE2 GLU A 20 -3.935 14.282 -7.883 1.00 0.00 O ATOM 0 H GLU A 20 -5.655 12.843 -4.201 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.390 13.543 -5.040 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.772 13.580 -7.351 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.704 14.693 -6.520 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.072 12.643 -6.384 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.077 11.968 -7.651 1.00 0.00 H new ATOM 285 N ASN A 21 -8.719 11.159 -5.986 1.00 0.00 N ATOM 286 CA ASN A 21 -9.016 9.739 -6.138 1.00 0.00 C ATOM 287 C ASN A 21 -7.750 8.950 -6.459 1.00 0.00 C ATOM 288 O ASN A 21 -7.465 7.932 -5.828 1.00 0.00 O ATOM 289 CB ASN A 21 -10.055 9.528 -7.241 1.00 0.00 C ATOM 290 CG ASN A 21 -11.122 10.606 -7.243 1.00 0.00 C ATOM 291 OD1 ASN A 21 -11.647 10.978 -6.194 1.00 0.00 O ATOM 292 ND2 ASN A 21 -11.448 11.112 -8.427 1.00 0.00 N ATOM 0 H ASN A 21 -9.423 11.782 -6.382 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.420 9.375 -5.193 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.555 9.513 -8.209 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.527 8.554 -7.111 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.160 11.839 -8.492 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.986 10.773 -9.271 1.00 0.00 H new ATOM 299 N GLU A 22 -6.995 9.428 -7.443 1.00 0.00 N ATOM 300 CA GLU A 22 -5.760 8.767 -7.847 1.00 0.00 C ATOM 301 C GLU A 22 -4.987 8.266 -6.630 1.00 0.00 C ATOM 302 O GLU A 22 -4.522 7.127 -6.603 1.00 0.00 O ATOM 303 CB GLU A 22 -4.886 9.723 -8.661 1.00 0.00 C ATOM 304 CG GLU A 22 -5.522 10.164 -9.969 1.00 0.00 C ATOM 305 CD GLU A 22 -5.279 9.179 -11.097 1.00 0.00 C ATOM 306 OE1 GLU A 22 -5.883 8.086 -11.071 1.00 0.00 O ATOM 307 OE2 GLU A 22 -4.485 9.502 -12.005 1.00 0.00 O ATOM 0 H GLU A 22 -7.217 10.270 -7.975 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.024 7.910 -8.467 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.667 10.604 -8.058 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.934 9.238 -8.875 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.595 10.287 -9.824 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.125 11.139 -10.251 1.00 0.00 H new ATOM 314 N ASP A 23 -4.854 9.126 -5.626 1.00 0.00 N ATOM 315 CA ASP A 23 -4.139 8.772 -4.406 1.00 0.00 C ATOM 316 C ASP A 23 -4.955 7.800 -3.560 1.00 0.00 C ATOM 317 O ASP A 23 -6.171 7.688 -3.722 1.00 0.00 O ATOM 318 CB ASP A 23 -3.819 10.029 -3.594 1.00 0.00 C ATOM 319 CG ASP A 23 -2.876 10.965 -4.324 1.00 0.00 C ATOM 320 OD1 ASP A 23 -1.705 10.585 -4.530 1.00 0.00 O ATOM 321 OD2 ASP A 23 -3.310 12.078 -4.689 1.00 0.00 O ATOM 0 H ASP A 23 -5.232 10.073 -5.633 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.206 8.284 -4.690 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.745 10.556 -3.366 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.374 9.740 -2.642 1.00 0.00 H new ATOM 326 N LEU A 24 -4.279 7.097 -2.659 1.00 0.00 N ATOM 327 CA LEU A 24 -4.940 6.132 -1.787 1.00 0.00 C ATOM 328 C LEU A 24 -4.758 6.508 -0.320 1.00 0.00 C ATOM 329 O LEU A 24 -3.733 7.070 0.063 1.00 0.00 O ATOM 330 CB LEU A 24 -4.389 4.727 -2.038 1.00 0.00 C ATOM 331 CG LEU A 24 -4.430 3.768 -0.848 1.00 0.00 C ATOM 332 CD1 LEU A 24 -5.864 3.368 -0.534 1.00 0.00 C ATOM 333 CD2 LEU A 24 -3.580 2.537 -1.125 1.00 0.00 C ATOM 0 H LEU A 24 -3.273 7.177 -2.513 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.006 6.144 -2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.950 4.280 -2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.355 4.818 -2.370 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.018 4.281 0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.874 2.685 0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.445 4.258 -0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.302 2.874 -1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.621 1.866 -0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.961 2.022 -2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.548 2.840 -1.300 1.00 0.00 H new ATOM 345 N GLU A 25 -5.759 6.192 0.495 1.00 0.00 N ATOM 346 CA GLU A 25 -5.708 6.496 1.920 1.00 0.00 C ATOM 347 C GLU A 25 -5.361 5.250 2.730 1.00 0.00 C ATOM 348 O GLU A 25 -6.049 4.233 2.649 1.00 0.00 O ATOM 349 CB GLU A 25 -7.047 7.067 2.391 1.00 0.00 C ATOM 350 CG GLU A 25 -7.023 7.570 3.825 1.00 0.00 C ATOM 351 CD GLU A 25 -8.293 8.305 4.206 1.00 0.00 C ATOM 352 OE1 GLU A 25 -9.391 7.762 3.961 1.00 0.00 O ATOM 353 OE2 GLU A 25 -8.190 9.425 4.750 1.00 0.00 O ATOM 0 H GLU A 25 -6.615 5.726 0.193 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.928 7.241 2.079 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.335 7.886 1.732 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.814 6.298 2.297 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.880 6.726 4.500 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.169 8.234 3.959 1.00 0.00 H new ATOM 360 N MET A 26 -4.288 5.338 3.510 1.00 0.00 N ATOM 361 CA MET A 26 -3.850 4.218 4.335 1.00 0.00 C ATOM 362 C MET A 26 -3.487 4.688 5.741 1.00 0.00 C ATOM 363 O MET A 26 -3.069 5.829 5.935 1.00 0.00 O ATOM 364 CB MET A 26 -2.649 3.522 3.692 1.00 0.00 C ATOM 365 CG MET A 26 -1.770 4.457 2.876 1.00 0.00 C ATOM 366 SD MET A 26 -0.485 3.582 1.963 1.00 0.00 S ATOM 367 CE MET A 26 0.939 4.612 2.311 1.00 0.00 C ATOM 0 H MET A 26 -3.707 6.172 3.588 1.00 0.00 H new ATOM 0 HA MET A 26 -4.675 3.509 4.409 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.046 3.060 4.474 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.007 2.719 3.048 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.392 5.015 2.176 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.306 5.186 3.541 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.850 4.028 2.184 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.952 5.459 1.625 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.882 4.977 3.337 1.00 0.00 H new ATOM 377 N ARG A 27 -3.651 3.801 6.717 1.00 0.00 N ATOM 378 CA ARG A 27 -3.342 4.126 8.104 1.00 0.00 C ATOM 379 C ARG A 27 -2.136 3.329 8.594 1.00 0.00 C ATOM 380 O ARG A 27 -1.790 2.281 8.048 1.00 0.00 O ATOM 381 CB ARG A 27 -4.551 3.842 8.998 1.00 0.00 C ATOM 382 CG ARG A 27 -5.598 4.943 8.974 1.00 0.00 C ATOM 383 CD ARG A 27 -6.746 4.642 9.925 1.00 0.00 C ATOM 384 NE ARG A 27 -7.730 3.744 9.327 1.00 0.00 N ATOM 385 CZ ARG A 27 -8.773 3.253 9.987 1.00 0.00 C ATOM 386 NH1 ARG A 27 -8.967 3.572 11.259 1.00 0.00 N ATOM 387 NH2 ARG A 27 -9.626 2.441 9.374 1.00 0.00 N ATOM 0 H ARG A 27 -3.996 2.852 6.573 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.100 5.188 8.157 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.013 2.906 8.684 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.209 3.700 10.023 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.136 5.892 9.248 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.984 5.057 7.961 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.353 4.193 10.837 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.233 5.574 10.212 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.610 3.479 8.349 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.314 4.196 11.734 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.769 3.193 11.763 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.481 2.194 8.395 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.426 2.065 9.882 1.00 0.00 H new ATOM 401 N PRO A 28 -1.479 3.837 9.647 1.00 0.00 N ATOM 402 CA PRO A 28 -0.302 3.190 10.233 1.00 0.00 C ATOM 403 C PRO A 28 -0.653 1.892 10.953 1.00 0.00 C ATOM 404 O PRO A 28 -0.962 1.895 12.144 1.00 0.00 O ATOM 405 CB PRO A 28 0.216 4.230 11.229 1.00 0.00 C ATOM 406 CG PRO A 28 -0.980 5.044 11.583 1.00 0.00 C ATOM 407 CD PRO A 28 -1.836 5.083 10.347 1.00 0.00 C ATOM 0 HA PRO A 28 0.427 2.906 9.474 1.00 0.00 H new ATOM 0 HB2 PRO A 28 0.646 3.754 12.110 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.998 4.847 10.786 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.521 4.600 12.418 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.691 6.049 11.889 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.897 5.116 10.594 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.623 5.962 9.738 1.00 0.00 H new ATOM 415 N GLY A 29 -0.601 0.782 10.222 1.00 0.00 N ATOM 416 CA GLY A 29 -0.916 -0.507 10.809 1.00 0.00 C ATOM 417 C GLY A 29 -1.782 -1.360 9.903 1.00 0.00 C ATOM 418 O GLY A 29 -1.816 -2.584 10.038 1.00 0.00 O ATOM 0 H GLY A 29 -0.347 0.753 9.235 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.010 -1.039 11.028 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.429 -0.355 11.759 1.00 0.00 H new ATOM 422 N ASP A 30 -2.484 -0.715 8.979 1.00 0.00 N ATOM 423 CA ASP A 30 -3.355 -1.422 8.047 1.00 0.00 C ATOM 424 C ASP A 30 -2.542 -2.308 7.109 1.00 0.00 C ATOM 425 O ASP A 30 -1.322 -2.170 7.012 1.00 0.00 O ATOM 426 CB ASP A 30 -4.186 -0.427 7.237 1.00 0.00 C ATOM 427 CG ASP A 30 -5.447 0.001 7.962 1.00 0.00 C ATOM 428 OD1 ASP A 30 -5.397 0.152 9.201 1.00 0.00 O ATOM 429 OD2 ASP A 30 -6.484 0.185 7.291 1.00 0.00 O ATOM 0 H ASP A 30 -2.467 0.297 8.855 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.026 -2.057 8.626 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.581 0.452 7.017 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.455 -0.876 6.281 1.00 0.00 H new ATOM 434 N ILE A 31 -3.225 -3.216 6.420 1.00 0.00 N ATOM 435 CA ILE A 31 -2.565 -4.123 5.490 1.00 0.00 C ATOM 436 C ILE A 31 -2.973 -3.827 4.051 1.00 0.00 C ATOM 437 O ILE A 31 -4.157 -3.857 3.712 1.00 0.00 O ATOM 438 CB ILE A 31 -2.891 -5.594 5.811 1.00 0.00 C ATOM 439 CG1 ILE A 31 -2.622 -5.887 7.289 1.00 0.00 C ATOM 440 CG2 ILE A 31 -2.075 -6.523 4.925 1.00 0.00 C ATOM 441 CD1 ILE A 31 -1.193 -6.291 7.575 1.00 0.00 C ATOM 0 H ILE A 31 -4.235 -3.343 6.488 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.492 -3.964 5.602 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.948 -5.769 5.611 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.865 -5.002 7.877 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.289 -6.683 7.620 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.317 -7.559 5.164 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.310 -6.328 3.879 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.013 -6.349 5.097 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.076 -6.483 8.642 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.951 -7.194 7.015 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.521 -5.487 7.275 1.00 0.00 H new ATOM 453 N ILE A 32 -1.986 -3.543 3.208 1.00 0.00 N ATOM 454 CA ILE A 32 -2.242 -3.244 1.805 1.00 0.00 C ATOM 455 C ILE A 32 -1.748 -4.371 0.904 1.00 0.00 C ATOM 456 O ILE A 32 -0.669 -4.926 1.119 1.00 0.00 O ATOM 457 CB ILE A 32 -1.568 -1.927 1.377 1.00 0.00 C ATOM 458 CG1 ILE A 32 -2.049 -0.773 2.259 1.00 0.00 C ATOM 459 CG2 ILE A 32 -1.856 -1.636 -0.088 1.00 0.00 C ATOM 460 CD1 ILE A 32 -1.214 -0.576 3.505 1.00 0.00 C ATOM 0 H ILE A 32 -1.001 -3.514 3.473 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.322 -3.141 1.697 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.490 -2.031 1.502 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.039 0.148 1.676 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.084 -0.955 2.550 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.373 -0.702 -0.375 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.470 -2.449 -0.703 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.932 -1.548 -0.237 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.613 0.258 4.082 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.244 -1.482 4.110 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.183 -0.362 3.222 1.00 0.00 H new ATOM 472 N THR A 33 -2.542 -4.704 -0.109 1.00 0.00 N ATOM 473 CA THR A 33 -2.186 -5.764 -1.044 1.00 0.00 C ATOM 474 C THR A 33 -1.555 -5.192 -2.308 1.00 0.00 C ATOM 475 O THR A 33 -2.249 -4.653 -3.171 1.00 0.00 O ATOM 476 CB THR A 33 -3.415 -6.607 -1.432 1.00 0.00 C ATOM 477 OG1 THR A 33 -3.985 -7.209 -0.265 1.00 0.00 O ATOM 478 CG2 THR A 33 -3.035 -7.688 -2.432 1.00 0.00 C ATOM 0 H THR A 33 -3.437 -4.254 -0.303 1.00 0.00 H new ATOM 0 HA THR A 33 -1.463 -6.403 -0.538 1.00 0.00 H new ATOM 0 HB THR A 33 -4.149 -5.947 -1.895 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.767 -7.742 -0.520 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.919 -8.271 -2.691 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.629 -7.225 -3.331 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.285 -8.344 -1.991 1.00 0.00 H new ATOM 486 N LEU A 34 -0.236 -5.313 -2.413 1.00 0.00 N ATOM 487 CA LEU A 34 0.489 -4.809 -3.574 1.00 0.00 C ATOM 488 C LEU A 34 -0.030 -5.446 -4.859 1.00 0.00 C ATOM 489 O LEU A 34 -0.047 -6.671 -4.994 1.00 0.00 O ATOM 490 CB LEU A 34 1.986 -5.083 -3.423 1.00 0.00 C ATOM 491 CG LEU A 34 2.898 -4.406 -4.447 1.00 0.00 C ATOM 492 CD1 LEU A 34 2.871 -2.896 -4.269 1.00 0.00 C ATOM 493 CD2 LEU A 34 4.321 -4.933 -4.324 1.00 0.00 C ATOM 0 H LEU A 34 0.353 -5.756 -1.708 1.00 0.00 H new ATOM 0 HA LEU A 34 0.327 -3.733 -3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.294 -4.767 -2.426 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.146 -6.160 -3.480 1.00 0.00 H new ATOM 0 HG LEU A 34 2.529 -4.641 -5.445 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.526 -2.431 -5.006 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.853 -2.532 -4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.215 -2.642 -3.266 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.956 -4.440 -5.060 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.700 -4.728 -3.323 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.327 -6.009 -4.501 1.00 0.00 H new ATOM 505 N LEU A 35 -0.450 -4.609 -5.801 1.00 0.00 N ATOM 506 CA LEU A 35 -0.967 -5.090 -7.077 1.00 0.00 C ATOM 507 C LEU A 35 0.003 -4.776 -8.211 1.00 0.00 C ATOM 508 O LEU A 35 0.215 -5.595 -9.104 1.00 0.00 O ATOM 509 CB LEU A 35 -2.331 -4.461 -7.367 1.00 0.00 C ATOM 510 CG LEU A 35 -3.395 -4.635 -6.283 1.00 0.00 C ATOM 511 CD1 LEU A 35 -4.586 -3.729 -6.554 1.00 0.00 C ATOM 512 CD2 LEU A 35 -3.837 -6.088 -6.197 1.00 0.00 C ATOM 0 H LEU A 35 -0.443 -3.594 -5.705 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.080 -6.172 -7.010 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.187 -3.394 -7.539 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.714 -4.885 -8.295 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.959 -4.352 -5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.333 -3.867 -5.772 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.258 -2.690 -6.563 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.022 -3.981 -7.521 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.594 -6.193 -5.420 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.254 -6.399 -7.155 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.979 -6.715 -5.954 1.00 0.00 H new ATOM 524 N GLU A 36 0.590 -3.584 -8.167 1.00 0.00 N ATOM 525 CA GLU A 36 1.539 -3.162 -9.191 1.00 0.00 C ATOM 526 C GLU A 36 2.858 -2.723 -8.563 1.00 0.00 C ATOM 527 O GLU A 36 2.873 -1.979 -7.582 1.00 0.00 O ATOM 528 CB GLU A 36 0.952 -2.019 -10.022 1.00 0.00 C ATOM 529 CG GLU A 36 1.558 -1.903 -11.411 1.00 0.00 C ATOM 530 CD GLU A 36 0.730 -1.034 -12.338 1.00 0.00 C ATOM 531 OE1 GLU A 36 -0.226 -1.560 -12.947 1.00 0.00 O ATOM 532 OE2 GLU A 36 1.036 0.170 -12.455 1.00 0.00 O ATOM 0 H GLU A 36 0.425 -2.894 -7.434 1.00 0.00 H new ATOM 0 HA GLU A 36 1.733 -4.014 -9.843 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.124 -2.164 -10.115 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.102 -1.080 -9.490 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.563 -1.488 -11.331 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.657 -2.898 -11.844 1.00 0.00 H new ATOM 539 N ASP A 37 3.963 -3.189 -9.134 1.00 0.00 N ATOM 540 CA ASP A 37 5.288 -2.844 -8.631 1.00 0.00 C ATOM 541 C ASP A 37 6.196 -2.380 -9.766 1.00 0.00 C ATOM 542 O ASP A 37 7.372 -2.739 -9.819 1.00 0.00 O ATOM 543 CB ASP A 37 5.914 -4.044 -7.919 1.00 0.00 C ATOM 544 CG ASP A 37 6.452 -5.078 -8.889 1.00 0.00 C ATOM 545 OD1 ASP A 37 5.933 -5.154 -10.023 1.00 0.00 O ATOM 546 OD2 ASP A 37 7.392 -5.809 -8.515 1.00 0.00 O ATOM 0 H ASP A 37 3.968 -3.807 -9.946 1.00 0.00 H new ATOM 0 HA ASP A 37 5.178 -2.025 -7.920 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.723 -3.699 -7.275 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.169 -4.509 -7.274 1.00 0.00 H new ATOM 551 N SER A 38 5.641 -1.580 -10.671 1.00 0.00 N ATOM 552 CA SER A 38 6.400 -1.070 -11.807 1.00 0.00 C ATOM 553 C SER A 38 7.075 0.253 -11.460 1.00 0.00 C ATOM 554 O SER A 38 8.197 0.520 -11.887 1.00 0.00 O ATOM 555 CB SER A 38 5.483 -0.886 -13.018 1.00 0.00 C ATOM 556 OG SER A 38 6.193 -0.344 -14.118 1.00 0.00 O ATOM 0 H SER A 38 4.669 -1.271 -10.640 1.00 0.00 H new ATOM 0 HA SER A 38 7.173 -1.798 -12.052 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.049 -1.846 -13.299 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.656 -0.227 -12.755 1.00 0.00 H new ATOM 0 HG SER A 38 5.585 -0.238 -14.879 1.00 0.00 H new ATOM 562 N ASN A 39 6.381 1.077 -10.682 1.00 0.00 N ATOM 563 CA ASN A 39 6.913 2.374 -10.277 1.00 0.00 C ATOM 564 C ASN A 39 7.403 2.334 -8.833 1.00 0.00 C ATOM 565 O ASN A 39 6.687 2.725 -7.913 1.00 0.00 O ATOM 566 CB ASN A 39 5.845 3.458 -10.435 1.00 0.00 C ATOM 567 CG ASN A 39 4.963 3.230 -11.647 1.00 0.00 C ATOM 568 OD1 ASN A 39 5.299 3.639 -12.759 1.00 0.00 O ATOM 569 ND2 ASN A 39 3.828 2.573 -11.438 1.00 0.00 N ATOM 0 H ASN A 39 5.450 0.871 -10.320 1.00 0.00 H new ATOM 0 HA ASN A 39 7.759 2.610 -10.923 1.00 0.00 H new ATOM 0 HB2 ASN A 39 5.225 3.487 -9.539 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.329 4.431 -10.519 1.00 0.00 H new ATOM 0 HD21 ASN A 39 3.195 2.389 -12.216 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.590 2.252 -10.499 1.00 0.00 H new ATOM 576 N GLU A 40 8.630 1.858 -8.644 1.00 0.00 N ATOM 577 CA GLU A 40 9.216 1.766 -7.312 1.00 0.00 C ATOM 578 C GLU A 40 8.789 2.949 -6.447 1.00 0.00 C ATOM 579 O GLU A 40 8.354 2.775 -5.309 1.00 0.00 O ATOM 580 CB GLU A 40 10.742 1.712 -7.404 1.00 0.00 C ATOM 581 CG GLU A 40 11.334 2.767 -8.324 1.00 0.00 C ATOM 582 CD GLU A 40 12.708 2.386 -8.841 1.00 0.00 C ATOM 583 OE1 GLU A 40 13.644 2.288 -8.019 1.00 0.00 O ATOM 584 OE2 GLU A 40 12.848 2.186 -10.065 1.00 0.00 O ATOM 0 H GLU A 40 9.237 1.531 -9.396 1.00 0.00 H new ATOM 0 HA GLU A 40 8.855 0.849 -6.847 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.162 1.835 -6.406 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.042 0.725 -7.757 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.663 2.925 -9.168 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.401 3.714 -7.789 1.00 0.00 H new ATOM 591 N ASP A 41 8.919 4.152 -6.996 1.00 0.00 N ATOM 592 CA ASP A 41 8.546 5.365 -6.276 1.00 0.00 C ATOM 593 C ASP A 41 7.142 5.242 -5.694 1.00 0.00 C ATOM 594 O ASP A 41 6.942 5.404 -4.491 1.00 0.00 O ATOM 595 CB ASP A 41 8.623 6.578 -7.205 1.00 0.00 C ATOM 596 CG ASP A 41 9.963 6.688 -7.904 1.00 0.00 C ATOM 597 OD1 ASP A 41 10.229 5.869 -8.809 1.00 0.00 O ATOM 598 OD2 ASP A 41 10.747 7.592 -7.547 1.00 0.00 O ATOM 0 H ASP A 41 9.279 4.313 -7.936 1.00 0.00 H new ATOM 0 HA ASP A 41 9.249 5.501 -5.454 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.832 6.511 -7.952 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.442 7.485 -6.629 1.00 0.00 H new ATOM 603 N TRP A 42 6.173 4.955 -6.556 1.00 0.00 N ATOM 604 CA TRP A 42 4.786 4.811 -6.127 1.00 0.00 C ATOM 605 C TRP A 42 4.257 3.419 -6.452 1.00 0.00 C ATOM 606 O TRP A 42 4.264 2.997 -7.609 1.00 0.00 O ATOM 607 CB TRP A 42 3.911 5.872 -6.797 1.00 0.00 C ATOM 608 CG TRP A 42 4.244 7.271 -6.373 1.00 0.00 C ATOM 609 CD1 TRP A 42 5.358 7.985 -6.707 1.00 0.00 C ATOM 610 CD2 TRP A 42 3.455 8.122 -5.535 1.00 0.00 C ATOM 611 NE1 TRP A 42 5.310 9.230 -6.127 1.00 0.00 N ATOM 612 CE2 TRP A 42 4.152 9.339 -5.403 1.00 0.00 C ATOM 613 CE3 TRP A 42 2.227 7.975 -4.884 1.00 0.00 C ATOM 614 CZ2 TRP A 42 3.661 10.400 -4.647 1.00 0.00 C ATOM 615 CZ3 TRP A 42 1.741 9.029 -4.134 1.00 0.00 C ATOM 616 CH2 TRP A 42 2.456 10.229 -4.021 1.00 0.00 C ATOM 0 H TRP A 42 6.322 4.817 -7.556 1.00 0.00 H new ATOM 0 HA TRP A 42 4.750 4.949 -5.046 1.00 0.00 H new ATOM 0 HB2 TRP A 42 4.020 5.792 -7.879 1.00 0.00 H new ATOM 0 HB3 TRP A 42 2.865 5.669 -6.566 1.00 0.00 H new ATOM 0 HD1 TRP A 42 6.159 7.625 -7.335 1.00 0.00 H new ATOM 0 HE1 TRP A 42 6.021 9.955 -6.220 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.668 7.054 -4.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.211 11.325 -4.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.794 8.926 -3.626 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.048 11.035 -3.428 1.00 0.00 H new ATOM 627 N TRP A 43 3.801 2.710 -5.426 1.00 0.00 N ATOM 628 CA TRP A 43 3.268 1.364 -5.605 1.00 0.00 C ATOM 629 C TRP A 43 1.750 1.355 -5.456 1.00 0.00 C ATOM 630 O TRP A 43 1.190 2.107 -4.658 1.00 0.00 O ATOM 631 CB TRP A 43 3.897 0.406 -4.592 1.00 0.00 C ATOM 632 CG TRP A 43 5.275 -0.043 -4.976 1.00 0.00 C ATOM 633 CD1 TRP A 43 5.809 -0.066 -6.232 1.00 0.00 C ATOM 634 CD2 TRP A 43 6.292 -0.535 -4.096 1.00 0.00 C ATOM 635 NE1 TRP A 43 7.097 -0.543 -6.187 1.00 0.00 N ATOM 636 CE2 TRP A 43 7.417 -0.837 -4.888 1.00 0.00 C ATOM 637 CE3 TRP A 43 6.362 -0.748 -2.717 1.00 0.00 C ATOM 638 CZ2 TRP A 43 8.596 -1.341 -4.345 1.00 0.00 C ATOM 639 CZ3 TRP A 43 7.533 -1.249 -2.179 1.00 0.00 C ATOM 640 CH2 TRP A 43 8.637 -1.540 -2.991 1.00 0.00 C ATOM 0 H TRP A 43 3.789 3.044 -4.462 1.00 0.00 H new ATOM 0 HA TRP A 43 3.518 1.032 -6.613 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.940 0.895 -3.619 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.255 -0.468 -4.482 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.295 0.245 -7.129 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.714 -0.659 -6.990 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.517 -0.525 -2.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 9.448 -1.567 -4.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.598 -1.419 -1.114 1.00 0.00 H new ATOM 0 HH2 TRP A 43 9.538 -1.929 -2.540 1.00 0.00 H new ATOM 651 N LYS A 44 1.090 0.500 -6.229 1.00 0.00 N ATOM 652 CA LYS A 44 -0.364 0.392 -6.182 1.00 0.00 C ATOM 653 C LYS A 44 -0.793 -0.831 -5.377 1.00 0.00 C ATOM 654 O LYS A 44 -0.101 -1.848 -5.358 1.00 0.00 O ATOM 655 CB LYS A 44 -0.935 0.308 -7.600 1.00 0.00 C ATOM 656 CG LYS A 44 -2.426 0.588 -7.672 1.00 0.00 C ATOM 657 CD LYS A 44 -3.001 0.200 -9.024 1.00 0.00 C ATOM 658 CE LYS A 44 -4.522 0.175 -8.996 1.00 0.00 C ATOM 659 NZ LYS A 44 -5.097 -0.057 -10.350 1.00 0.00 N ATOM 0 H LYS A 44 1.538 -0.128 -6.896 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.754 1.284 -5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.409 1.019 -8.237 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.740 -0.686 -8.003 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.939 0.036 -6.885 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.608 1.647 -7.489 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.661 0.907 -9.781 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.625 -0.782 -9.312 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.860 -0.609 -8.318 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.894 1.120 -8.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.135 -0.067 -10.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.795 0.705 -10.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.763 -0.971 -10.717 1.00 0.00 H new ATOM 673 N GLY A 45 -1.940 -0.724 -4.714 1.00 0.00 N ATOM 674 CA GLY A 45 -2.442 -1.829 -3.918 1.00 0.00 C ATOM 675 C GLY A 45 -3.952 -1.807 -3.783 1.00 0.00 C ATOM 676 O GLY A 45 -4.645 -1.168 -4.575 1.00 0.00 O ATOM 0 H GLY A 45 -2.531 0.108 -4.714 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.135 -2.770 -4.374 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.991 -1.793 -2.926 1.00 0.00 H new ATOM 680 N LYS A 46 -4.465 -2.509 -2.778 1.00 0.00 N ATOM 681 CA LYS A 46 -5.902 -2.570 -2.541 1.00 0.00 C ATOM 682 C LYS A 46 -6.202 -2.730 -1.054 1.00 0.00 C ATOM 683 O LYS A 46 -5.798 -3.713 -0.433 1.00 0.00 O ATOM 684 CB LYS A 46 -6.521 -3.729 -3.325 1.00 0.00 C ATOM 685 CG LYS A 46 -7.959 -4.026 -2.938 1.00 0.00 C ATOM 686 CD LYS A 46 -8.533 -5.170 -3.757 1.00 0.00 C ATOM 687 CE LYS A 46 -8.878 -4.725 -5.170 1.00 0.00 C ATOM 688 NZ LYS A 46 -9.611 -5.782 -5.921 1.00 0.00 N ATOM 0 H LYS A 46 -3.906 -3.044 -2.114 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.341 -1.633 -2.883 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.480 -3.499 -4.390 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.919 -4.624 -3.169 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.007 -4.276 -1.878 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.567 -3.133 -3.082 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.813 -5.987 -3.797 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.427 -5.557 -3.268 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.486 -3.821 -5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.963 -4.469 -5.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.828 -5.440 -6.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.021 -6.636 -5.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.497 -6.009 -5.426 1.00 0.00 H new ATOM 702 N ILE A 47 -6.914 -1.759 -0.491 1.00 0.00 N ATOM 703 CA ILE A 47 -7.270 -1.795 0.922 1.00 0.00 C ATOM 704 C ILE A 47 -8.713 -2.249 1.114 1.00 0.00 C ATOM 705 O ILE A 47 -9.507 -2.236 0.175 1.00 0.00 O ATOM 706 CB ILE A 47 -7.084 -0.418 1.585 1.00 0.00 C ATOM 707 CG1 ILE A 47 -5.663 0.098 1.350 1.00 0.00 C ATOM 708 CG2 ILE A 47 -7.383 -0.502 3.074 1.00 0.00 C ATOM 709 CD1 ILE A 47 -5.342 1.359 2.121 1.00 0.00 C ATOM 0 H ILE A 47 -7.255 -0.938 -0.992 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.600 -2.511 1.398 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.785 0.284 1.133 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.952 -0.680 1.629 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.526 0.288 0.286 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.247 0.479 3.528 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.412 -0.830 3.221 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.705 -1.215 3.542 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.319 1.667 1.906 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.029 2.152 1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.447 1.169 3.189 1.00 0.00 H new ATOM 721 N GLN A 48 -9.044 -2.648 2.338 1.00 0.00 N ATOM 722 CA GLN A 48 -10.393 -3.104 2.653 1.00 0.00 C ATOM 723 C GLN A 48 -11.431 -2.334 1.845 1.00 0.00 C ATOM 724 O GLN A 48 -12.039 -2.875 0.921 1.00 0.00 O ATOM 725 CB GLN A 48 -10.671 -2.944 4.149 1.00 0.00 C ATOM 726 CG GLN A 48 -10.003 -4.004 5.010 1.00 0.00 C ATOM 727 CD GLN A 48 -10.446 -3.943 6.458 1.00 0.00 C ATOM 728 OE1 GLN A 48 -10.958 -2.923 6.921 1.00 0.00 O ATOM 729 NE2 GLN A 48 -10.251 -5.038 7.183 1.00 0.00 N ATOM 0 H GLN A 48 -8.398 -2.665 3.127 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.464 -4.159 2.388 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -10.330 -1.960 4.470 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -11.748 -2.978 4.315 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -10.229 -4.991 4.606 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.921 -3.879 4.959 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -9.823 -5.861 6.759 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -10.529 -5.056 8.164 1.00 0.00 H new ATOM 738 N ASP A 49 -11.630 -1.069 2.199 1.00 0.00 N ATOM 739 CA ASP A 49 -12.594 -0.223 1.505 1.00 0.00 C ATOM 740 C ASP A 49 -11.900 0.962 0.842 1.00 0.00 C ATOM 741 O ASP A 49 -12.552 1.907 0.398 1.00 0.00 O ATOM 742 CB ASP A 49 -13.661 0.276 2.481 1.00 0.00 C ATOM 743 CG ASP A 49 -14.332 -0.856 3.234 1.00 0.00 C ATOM 744 OD1 ASP A 49 -13.772 -1.300 4.259 1.00 0.00 O ATOM 745 OD2 ASP A 49 -15.415 -1.299 2.799 1.00 0.00 O ATOM 0 H ASP A 49 -11.136 -0.607 2.963 1.00 0.00 H new ATOM 0 HA ASP A 49 -13.072 -0.821 0.729 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.204 0.962 3.194 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -14.415 0.841 1.933 1.00 0.00 H new ATOM 750 N ARG A 50 -10.574 0.904 0.778 1.00 0.00 N ATOM 751 CA ARG A 50 -9.791 1.974 0.170 1.00 0.00 C ATOM 752 C ARG A 50 -8.945 1.441 -0.982 1.00 0.00 C ATOM 753 O ARG A 50 -8.479 0.302 -0.948 1.00 0.00 O ATOM 754 CB ARG A 50 -8.890 2.632 1.217 1.00 0.00 C ATOM 755 CG ARG A 50 -9.542 3.804 1.931 1.00 0.00 C ATOM 756 CD ARG A 50 -10.418 3.337 3.083 1.00 0.00 C ATOM 757 NE ARG A 50 -11.497 4.279 3.367 1.00 0.00 N ATOM 758 CZ ARG A 50 -12.212 4.262 4.486 1.00 0.00 C ATOM 759 NH1 ARG A 50 -11.963 3.357 5.422 1.00 0.00 N ATOM 760 NH2 ARG A 50 -13.178 5.153 4.672 1.00 0.00 N ATOM 0 H ARG A 50 -10.019 0.128 1.139 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.483 2.718 -0.224 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.599 1.884 1.955 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.976 2.975 0.733 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.771 4.476 2.308 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -10.144 4.374 1.223 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -10.842 2.362 2.844 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -9.805 3.208 3.975 1.00 0.00 H new ATOM 0 HE ARG A 50 -11.713 4.989 2.667 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.221 2.671 5.284 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.514 3.346 6.280 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.372 5.852 3.955 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -13.726 5.139 5.532 1.00 0.00 H new ATOM 774 N ILE A 51 -8.752 2.272 -2.001 1.00 0.00 N ATOM 775 CA ILE A 51 -7.963 1.885 -3.164 1.00 0.00 C ATOM 776 C ILE A 51 -7.347 3.104 -3.841 1.00 0.00 C ATOM 777 O ILE A 51 -7.900 4.202 -3.788 1.00 0.00 O ATOM 778 CB ILE A 51 -8.814 1.116 -4.191 1.00 0.00 C ATOM 779 CG1 ILE A 51 -9.807 0.196 -3.478 1.00 0.00 C ATOM 780 CG2 ILE A 51 -7.920 0.315 -5.126 1.00 0.00 C ATOM 781 CD1 ILE A 51 -10.785 -0.480 -4.414 1.00 0.00 C ATOM 0 H ILE A 51 -9.131 3.218 -2.045 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.168 1.233 -2.803 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.377 1.836 -4.785 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -9.254 -0.567 -2.931 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -10.363 0.776 -2.742 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.536 -0.223 -5.846 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.249 0.991 -5.656 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.333 -0.398 -4.546 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -11.458 -1.116 -3.839 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -11.364 0.277 -4.943 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.238 -1.088 -5.135 1.00 0.00 H new ATOM 793 N GLY A 52 -6.198 2.903 -4.480 1.00 0.00 N ATOM 794 CA GLY A 52 -5.527 3.994 -5.160 1.00 0.00 C ATOM 795 C GLY A 52 -4.022 3.815 -5.198 1.00 0.00 C ATOM 796 O GLY A 52 -3.517 2.704 -5.034 1.00 0.00 O ATOM 0 H GLY A 52 -5.721 2.004 -4.538 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.906 4.071 -6.179 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.766 4.932 -4.659 1.00 0.00 H new ATOM 800 N PHE A 53 -3.303 4.911 -5.417 1.00 0.00 N ATOM 801 CA PHE A 53 -1.846 4.870 -5.480 1.00 0.00 C ATOM 802 C PHE A 53 -1.232 5.336 -4.163 1.00 0.00 C ATOM 803 O PHE A 53 -1.828 6.129 -3.433 1.00 0.00 O ATOM 804 CB PHE A 53 -1.339 5.743 -6.629 1.00 0.00 C ATOM 805 CG PHE A 53 -1.906 5.362 -7.967 1.00 0.00 C ATOM 806 CD1 PHE A 53 -1.623 4.127 -8.528 1.00 0.00 C ATOM 807 CD2 PHE A 53 -2.723 6.238 -8.663 1.00 0.00 C ATOM 808 CE1 PHE A 53 -2.143 3.774 -9.759 1.00 0.00 C ATOM 809 CE2 PHE A 53 -3.247 5.890 -9.894 1.00 0.00 C ATOM 810 CZ PHE A 53 -2.957 4.656 -10.442 1.00 0.00 C ATOM 0 H PHE A 53 -3.705 5.838 -5.554 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.544 3.838 -5.657 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.588 6.784 -6.421 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.252 5.677 -6.672 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.989 3.432 -7.997 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.953 7.204 -8.239 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.913 2.809 -10.186 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.882 6.582 -10.426 1.00 0.00 H new ATOM 0 HZ PHE A 53 -3.366 4.381 -11.403 1.00 0.00 H new ATOM 820 N PHE A 54 -0.037 4.838 -3.865 1.00 0.00 N ATOM 821 CA PHE A 54 0.658 5.201 -2.636 1.00 0.00 C ATOM 822 C PHE A 54 2.163 4.997 -2.781 1.00 0.00 C ATOM 823 O PHE A 54 2.629 4.136 -3.528 1.00 0.00 O ATOM 824 CB PHE A 54 0.131 4.372 -1.462 1.00 0.00 C ATOM 825 CG PHE A 54 0.422 2.904 -1.587 1.00 0.00 C ATOM 826 CD1 PHE A 54 -0.470 2.059 -2.227 1.00 0.00 C ATOM 827 CD2 PHE A 54 1.588 2.369 -1.063 1.00 0.00 C ATOM 828 CE1 PHE A 54 -0.205 0.708 -2.343 1.00 0.00 C ATOM 829 CE2 PHE A 54 1.859 1.018 -1.177 1.00 0.00 C ATOM 830 CZ PHE A 54 0.961 0.187 -1.817 1.00 0.00 C ATOM 0 H PHE A 54 0.471 4.182 -4.458 1.00 0.00 H new ATOM 0 HA PHE A 54 0.469 6.257 -2.441 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.572 4.744 -0.538 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.947 4.515 -1.381 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.383 2.461 -2.640 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.293 3.014 -0.560 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.909 0.060 -2.844 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.772 0.613 -0.766 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.170 -0.869 -1.906 1.00 0.00 H new ATOM 840 N PRO A 55 2.943 5.808 -2.052 1.00 0.00 N ATOM 841 CA PRO A 55 4.407 5.737 -2.082 1.00 0.00 C ATOM 842 C PRO A 55 4.940 4.470 -1.421 1.00 0.00 C ATOM 843 O PRO A 55 4.312 3.919 -0.518 1.00 0.00 O ATOM 844 CB PRO A 55 4.839 6.974 -1.291 1.00 0.00 C ATOM 845 CG PRO A 55 3.692 7.265 -0.387 1.00 0.00 C ATOM 846 CD PRO A 55 2.456 6.858 -1.141 1.00 0.00 C ATOM 0 HA PRO A 55 4.792 5.710 -3.101 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.751 6.783 -0.725 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.045 7.815 -1.953 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.780 6.709 0.546 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.659 8.323 -0.126 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.682 6.482 -0.472 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.025 7.696 -1.688 1.00 0.00 H new ATOM 854 N ALA A 56 6.101 4.013 -1.878 1.00 0.00 N ATOM 855 CA ALA A 56 6.719 2.812 -1.329 1.00 0.00 C ATOM 856 C ALA A 56 7.526 3.134 -0.076 1.00 0.00 C ATOM 857 O ALA A 56 8.015 2.234 0.606 1.00 0.00 O ATOM 858 CB ALA A 56 7.604 2.149 -2.374 1.00 0.00 C ATOM 0 H ALA A 56 6.633 4.456 -2.627 1.00 0.00 H new ATOM 0 HA ALA A 56 5.925 2.120 -1.050 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.059 1.254 -1.950 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.002 1.875 -3.240 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.386 2.843 -2.681 1.00 0.00 H new ATOM 864 N ASN A 57 7.662 4.422 0.220 1.00 0.00 N ATOM 865 CA ASN A 57 8.412 4.862 1.391 1.00 0.00 C ATOM 866 C ASN A 57 7.506 4.950 2.616 1.00 0.00 C ATOM 867 O ASN A 57 7.964 5.242 3.721 1.00 0.00 O ATOM 868 CB ASN A 57 9.061 6.222 1.126 1.00 0.00 C ATOM 869 CG ASN A 57 9.947 6.673 2.271 1.00 0.00 C ATOM 870 OD1 ASN A 57 11.072 6.199 2.425 1.00 0.00 O ATOM 871 ND2 ASN A 57 9.440 7.595 3.082 1.00 0.00 N ATOM 0 H ASN A 57 7.263 5.179 -0.334 1.00 0.00 H new ATOM 0 HA ASN A 57 9.192 4.127 1.589 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.653 6.167 0.212 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.283 6.966 0.958 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.989 7.938 3.871 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.502 7.960 2.916 1.00 0.00 H new ATOM 878 N PHE A 58 6.218 4.694 2.412 1.00 0.00 N ATOM 879 CA PHE A 58 5.247 4.744 3.498 1.00 0.00 C ATOM 880 C PHE A 58 4.952 3.344 4.029 1.00 0.00 C ATOM 881 O PHE A 58 4.527 3.178 5.173 1.00 0.00 O ATOM 882 CB PHE A 58 3.951 5.405 3.023 1.00 0.00 C ATOM 883 CG PHE A 58 3.978 6.904 3.105 1.00 0.00 C ATOM 884 CD1 PHE A 58 5.005 7.625 2.517 1.00 0.00 C ATOM 885 CD2 PHE A 58 2.977 7.593 3.770 1.00 0.00 C ATOM 886 CE1 PHE A 58 5.033 9.005 2.592 1.00 0.00 C ATOM 887 CE2 PHE A 58 2.999 8.973 3.847 1.00 0.00 C ATOM 888 CZ PHE A 58 4.028 9.680 3.257 1.00 0.00 C ATOM 0 H PHE A 58 5.823 4.450 1.504 1.00 0.00 H new ATOM 0 HA PHE A 58 5.674 5.338 4.306 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.758 5.109 1.992 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.121 5.031 3.622 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.793 7.103 1.994 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.170 7.045 4.234 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.840 9.555 2.131 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.212 9.498 4.368 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.047 10.758 3.315 1.00 0.00 H new ATOM 898 N VAL A 59 5.179 2.339 3.189 1.00 0.00 N ATOM 899 CA VAL A 59 4.938 0.953 3.572 1.00 0.00 C ATOM 900 C VAL A 59 6.250 0.197 3.753 1.00 0.00 C ATOM 901 O VAL A 59 7.323 0.716 3.447 1.00 0.00 O ATOM 902 CB VAL A 59 4.078 0.222 2.524 1.00 0.00 C ATOM 903 CG1 VAL A 59 2.796 0.994 2.253 1.00 0.00 C ATOM 904 CG2 VAL A 59 4.866 0.014 1.240 1.00 0.00 C ATOM 0 H VAL A 59 5.530 2.459 2.239 1.00 0.00 H new ATOM 0 HA VAL A 59 4.401 0.976 4.520 1.00 0.00 H new ATOM 0 HB VAL A 59 3.808 -0.757 2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.201 0.462 1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.225 1.086 3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.042 1.987 1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.243 -0.504 0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.168 0.981 0.838 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.752 -0.584 1.450 1.00 0.00 H new ATOM 914 N GLN A 60 6.155 -1.031 4.252 1.00 0.00 N ATOM 915 CA GLN A 60 7.335 -1.858 4.474 1.00 0.00 C ATOM 916 C GLN A 60 7.076 -3.301 4.052 1.00 0.00 C ATOM 917 O GLN A 60 6.049 -3.884 4.401 1.00 0.00 O ATOM 918 CB GLN A 60 7.748 -1.811 5.946 1.00 0.00 C ATOM 919 CG GLN A 60 9.081 -2.484 6.226 1.00 0.00 C ATOM 920 CD GLN A 60 9.803 -1.879 7.414 1.00 0.00 C ATOM 921 OE1 GLN A 60 9.712 -2.383 8.533 1.00 0.00 O ATOM 922 NE2 GLN A 60 10.526 -0.791 7.176 1.00 0.00 N ATOM 0 H GLN A 60 5.274 -1.475 4.510 1.00 0.00 H new ATOM 0 HA GLN A 60 8.146 -1.460 3.864 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.801 -0.771 6.267 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.975 -2.290 6.547 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.916 -3.546 6.408 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.715 -2.407 5.343 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.574 -0.407 6.232 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.034 -0.340 7.937 1.00 0.00 H new ATOM 931 N ARG A 61 8.012 -3.870 3.300 1.00 0.00 N ATOM 932 CA ARG A 61 7.884 -5.244 2.830 1.00 0.00 C ATOM 933 C ARG A 61 7.930 -6.225 3.998 1.00 0.00 C ATOM 934 O ARG A 61 8.842 -6.180 4.824 1.00 0.00 O ATOM 935 CB ARG A 61 8.996 -5.570 1.832 1.00 0.00 C ATOM 936 CG ARG A 61 8.595 -6.599 0.788 1.00 0.00 C ATOM 937 CD ARG A 61 9.792 -7.412 0.319 1.00 0.00 C ATOM 938 NE ARG A 61 10.570 -6.706 -0.694 1.00 0.00 N ATOM 939 CZ ARG A 61 11.788 -7.076 -1.076 1.00 0.00 C ATOM 940 NH1 ARG A 61 12.362 -8.140 -0.532 1.00 0.00 N ATOM 941 NH2 ARG A 61 12.433 -6.381 -2.005 1.00 0.00 N ATOM 0 H ARG A 61 8.868 -3.401 3.003 1.00 0.00 H new ATOM 0 HA ARG A 61 6.919 -5.343 2.333 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.300 -4.653 1.328 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.865 -5.938 2.377 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.841 -7.267 1.205 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.139 -6.096 -0.064 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.431 -7.641 1.172 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.448 -8.363 -0.086 1.00 0.00 H new ATOM 0 HE ARG A 61 10.156 -5.883 -1.133 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.869 -8.677 0.181 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.297 -8.422 -0.827 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.994 -5.562 -2.426 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.368 -6.666 -2.298 1.00 0.00 H new ATOM 955 N LEU A 62 6.940 -7.109 4.061 1.00 0.00 N ATOM 956 CA LEU A 62 6.867 -8.101 5.128 1.00 0.00 C ATOM 957 C LEU A 62 7.386 -9.454 4.650 1.00 0.00 C ATOM 958 O LEU A 62 6.617 -10.297 4.191 1.00 0.00 O ATOM 959 CB LEU A 62 5.427 -8.240 5.624 1.00 0.00 C ATOM 960 CG LEU A 62 5.018 -7.312 6.767 1.00 0.00 C ATOM 961 CD1 LEU A 62 3.506 -7.307 6.936 1.00 0.00 C ATOM 962 CD2 LEU A 62 5.700 -7.728 8.062 1.00 0.00 C ATOM 0 H LEU A 62 6.177 -7.159 3.386 1.00 0.00 H new ATOM 0 HA LEU A 62 7.497 -7.761 5.950 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.756 -8.065 4.783 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.273 -9.270 5.946 1.00 0.00 H new ATOM 0 HG LEU A 62 5.339 -6.300 6.520 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.234 -6.641 7.754 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.038 -6.960 6.015 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.162 -8.317 7.160 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.397 -7.056 8.865 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.411 -8.748 8.314 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.782 -7.678 7.936 1.00 0.00 H new