USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 384 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 30 CYS SG : rot 180:sc= -0.176 USER MOD Set 1.2: A 36 ASN : amide:sc= -5.5! C(o=-5.7!,f=-18!) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -5.94! C(o=-5.9!,f=-6.5!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 20 ASN : amide:sc= -0.198 K(o=-0.2,f=-2.1!) USER MOD Single : A 24 GLN : amide:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -102:sc= 1.14 USER MOD Single : A 33 ASN : amide:sc= -2.79! C(o=-2.8!,f=-4.1!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -149:sc= -1.02 (180deg=-1.85) USER MOD Single : A 40 TYR OH : rot 30:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc=-0.00123 K(o=-0.0012,f=-0.88) USER MOD Single : A 52 LYS NZ :NH3+ -161:sc= -0.406 (180deg=-1.24!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.144 K(o=-0.14,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 115 N ILE A 8 -7.186 -0.010 7.856 1.00 0.00 N ATOM 116 CA ILE A 8 -6.191 1.033 7.463 1.00 0.00 C ATOM 117 C ILE A 8 -6.268 2.210 8.440 1.00 0.00 C ATOM 118 O ILE A 8 -5.299 2.910 8.658 1.00 0.00 O ATOM 119 CB ILE A 8 -6.480 1.539 6.035 1.00 0.00 C ATOM 120 CG1 ILE A 8 -6.700 0.360 5.058 1.00 0.00 C ATOM 121 CG2 ILE A 8 -5.315 2.410 5.553 1.00 0.00 C ATOM 122 CD1 ILE A 8 -5.399 -0.402 4.771 1.00 0.00 C ATOM 0 HA ILE A 8 -5.194 0.593 7.491 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.395 2.132 6.058 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.436 -0.326 5.478 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.113 0.737 4.122 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.521 2.767 4.544 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.197 3.262 6.222 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.398 1.821 5.550 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.602 -1.221 4.081 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.671 0.276 4.326 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.999 -0.803 5.702 1.00 0.00 H new ATOM 134 N MET A 9 -7.410 2.437 9.030 1.00 0.00 N ATOM 135 CA MET A 9 -7.542 3.573 9.990 1.00 0.00 C ATOM 136 C MET A 9 -6.488 3.438 11.097 1.00 0.00 C ATOM 137 O MET A 9 -6.322 4.314 11.923 1.00 0.00 O ATOM 138 CB MET A 9 -8.958 3.560 10.597 1.00 0.00 C ATOM 139 CG MET A 9 -9.093 2.441 11.652 1.00 0.00 C ATOM 140 SD MET A 9 -8.550 3.054 13.270 1.00 0.00 S ATOM 141 CE MET A 9 -10.127 3.772 13.796 1.00 0.00 C ATOM 0 H MET A 9 -8.257 1.886 8.890 1.00 0.00 H new ATOM 0 HA MET A 9 -7.384 4.517 9.469 1.00 0.00 H new ATOM 0 HB2 MET A 9 -9.171 4.526 11.056 1.00 0.00 H new ATOM 0 HB3 MET A 9 -9.695 3.413 9.808 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.128 2.105 11.709 1.00 0.00 H new ATOM 0 HG3 MET A 9 -8.494 1.579 11.360 1.00 0.00 H new ATOM 0 HE1 MET A 9 -10.014 4.212 14.787 1.00 0.00 H new ATOM 0 HE2 MET A 9 -10.429 4.544 13.088 1.00 0.00 H new ATOM 0 HE3 MET A 9 -10.888 2.993 13.830 1.00 0.00 H new ATOM 151 N GLU A 10 -5.780 2.343 11.117 1.00 0.00 N ATOM 152 CA GLU A 10 -4.740 2.134 12.162 1.00 0.00 C ATOM 153 C GLU A 10 -3.666 3.219 12.040 1.00 0.00 C ATOM 154 O GLU A 10 -3.000 3.560 12.998 1.00 0.00 O ATOM 155 CB GLU A 10 -4.114 0.745 11.960 1.00 0.00 C ATOM 156 CG GLU A 10 -3.191 0.741 10.713 1.00 0.00 C ATOM 157 CD GLU A 10 -1.755 1.109 11.110 1.00 0.00 C ATOM 158 OE1 GLU A 10 -1.565 1.580 12.220 1.00 0.00 O ATOM 159 OE2 GLU A 10 -0.871 0.913 10.294 1.00 0.00 O ATOM 0 H GLU A 10 -5.878 1.579 10.449 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.186 2.194 13.155 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.541 0.466 12.844 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.900 -0.001 11.840 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.205 -0.243 10.245 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.564 1.450 9.974 1.00 0.00 H new ATOM 166 N ASN A 11 -3.491 3.754 10.861 1.00 0.00 N ATOM 167 CA ASN A 11 -2.460 4.814 10.644 1.00 0.00 C ATOM 168 C ASN A 11 -2.987 5.805 9.593 1.00 0.00 C ATOM 169 O ASN A 11 -2.875 5.557 8.408 1.00 0.00 O ATOM 170 CB ASN A 11 -1.163 4.152 10.121 1.00 0.00 C ATOM 171 CG ASN A 11 -0.233 3.785 11.288 1.00 0.00 C ATOM 172 OD1 ASN A 11 0.362 2.727 11.295 1.00 0.00 O ATOM 173 ND2 ASN A 11 -0.073 4.625 12.275 1.00 0.00 N ATOM 0 H ASN A 11 -4.024 3.500 10.029 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.253 5.338 11.577 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.410 3.257 9.551 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -0.650 4.832 9.441 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.550 4.391 13.048 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.571 5.515 12.273 1.00 0.00 H new ATOM 180 N PRO A 12 -3.552 6.921 10.001 1.00 0.00 N ATOM 181 CA PRO A 12 -4.079 7.934 9.040 1.00 0.00 C ATOM 182 C PRO A 12 -3.074 8.218 7.917 1.00 0.00 C ATOM 183 O PRO A 12 -3.397 8.813 6.909 1.00 0.00 O ATOM 184 CB PRO A 12 -4.305 9.173 9.918 1.00 0.00 C ATOM 185 CG PRO A 12 -4.619 8.612 11.268 1.00 0.00 C ATOM 186 CD PRO A 12 -3.757 7.350 11.401 1.00 0.00 C ATOM 0 HA PRO A 12 -4.985 7.604 8.531 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.420 9.808 9.947 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -5.124 9.785 9.540 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.387 9.330 12.055 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.679 8.374 11.357 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.810 7.561 11.898 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.260 6.581 11.987 1.00 0.00 H new ATOM 194 N ASP A 13 -1.857 7.779 8.092 1.00 0.00 N ATOM 195 CA ASP A 13 -0.817 7.998 7.050 1.00 0.00 C ATOM 196 C ASP A 13 -1.115 7.101 5.848 1.00 0.00 C ATOM 197 O ASP A 13 -1.027 7.523 4.712 1.00 0.00 O ATOM 198 CB ASP A 13 0.559 7.646 7.620 1.00 0.00 C ATOM 199 CG ASP A 13 1.638 7.960 6.581 1.00 0.00 C ATOM 200 OD1 ASP A 13 1.671 9.085 6.111 1.00 0.00 O ATOM 201 OD2 ASP A 13 2.412 7.069 6.273 1.00 0.00 O ATOM 0 H ASP A 13 -1.538 7.274 8.919 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.823 9.043 6.739 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.742 8.213 8.533 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.594 6.590 7.888 1.00 0.00 H new ATOM 206 N VAL A 14 -1.482 5.868 6.087 1.00 0.00 N ATOM 207 CA VAL A 14 -1.799 4.957 4.953 1.00 0.00 C ATOM 208 C VAL A 14 -3.149 5.364 4.381 1.00 0.00 C ATOM 209 O VAL A 14 -3.360 5.363 3.185 1.00 0.00 O ATOM 210 CB VAL A 14 -1.863 3.516 5.464 1.00 0.00 C ATOM 211 CG1 VAL A 14 -2.159 2.570 4.302 1.00 0.00 C ATOM 212 CG2 VAL A 14 -0.519 3.141 6.094 1.00 0.00 C ATOM 0 H VAL A 14 -1.575 5.456 7.016 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.032 5.024 4.182 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.654 3.432 6.209 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.204 1.545 4.670 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.115 2.836 3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.370 2.653 3.555 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.562 2.115 6.459 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.270 3.228 5.347 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.307 3.813 6.925 1.00 0.00 H new ATOM 222 N ALA A 15 -4.056 5.731 5.233 1.00 0.00 N ATOM 223 CA ALA A 15 -5.391 6.162 4.758 1.00 0.00 C ATOM 224 C ALA A 15 -5.219 7.419 3.906 1.00 0.00 C ATOM 225 O ALA A 15 -5.884 7.608 2.907 1.00 0.00 O ATOM 226 CB ALA A 15 -6.260 6.473 5.970 1.00 0.00 C ATOM 0 H ALA A 15 -3.929 5.751 6.245 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.863 5.380 4.164 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.248 6.792 5.637 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.356 5.580 6.587 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.799 7.270 6.554 1.00 0.00 H new ATOM 232 N MET A 16 -4.313 8.273 4.295 1.00 0.00 N ATOM 233 CA MET A 16 -4.064 9.514 3.515 1.00 0.00 C ATOM 234 C MET A 16 -3.279 9.140 2.266 1.00 0.00 C ATOM 235 O MET A 16 -3.481 9.680 1.197 1.00 0.00 O ATOM 236 CB MET A 16 -3.243 10.484 4.363 1.00 0.00 C ATOM 237 CG MET A 16 -3.150 11.838 3.655 1.00 0.00 C ATOM 238 SD MET A 16 -2.182 12.987 4.668 1.00 0.00 S ATOM 239 CE MET A 16 -3.543 13.623 5.680 1.00 0.00 C ATOM 0 H MET A 16 -3.731 8.162 5.126 1.00 0.00 H new ATOM 0 HA MET A 16 -5.006 9.988 3.240 1.00 0.00 H new ATOM 0 HB2 MET A 16 -3.705 10.606 5.343 1.00 0.00 H new ATOM 0 HB3 MET A 16 -2.244 10.081 4.530 1.00 0.00 H new ATOM 0 HG2 MET A 16 -2.684 11.717 2.677 1.00 0.00 H new ATOM 0 HG3 MET A 16 -4.149 12.240 3.484 1.00 0.00 H new ATOM 0 HE1 MET A 16 -3.158 14.360 6.386 1.00 0.00 H new ATOM 0 HE2 MET A 16 -4.287 14.091 5.036 1.00 0.00 H new ATOM 0 HE3 MET A 16 -4.003 12.801 6.228 1.00 0.00 H new ATOM 249 N ALA A 17 -2.388 8.198 2.400 1.00 0.00 N ATOM 250 CA ALA A 17 -1.587 7.758 1.231 1.00 0.00 C ATOM 251 C ALA A 17 -2.516 7.014 0.280 1.00 0.00 C ATOM 252 O ALA A 17 -2.368 7.059 -0.922 1.00 0.00 O ATOM 253 CB ALA A 17 -0.465 6.829 1.700 1.00 0.00 C ATOM 0 H ALA A 17 -2.181 7.714 3.274 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.140 8.615 0.727 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.123 6.506 0.841 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.178 7.361 2.401 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.896 5.958 2.193 1.00 0.00 H new ATOM 259 N PHE A 18 -3.491 6.343 0.822 1.00 0.00 N ATOM 260 CA PHE A 18 -4.459 5.607 -0.037 1.00 0.00 C ATOM 261 C PHE A 18 -5.088 6.604 -1.022 1.00 0.00 C ATOM 262 O PHE A 18 -5.606 6.232 -2.055 1.00 0.00 O ATOM 263 CB PHE A 18 -5.549 4.993 0.868 1.00 0.00 C ATOM 264 CG PHE A 18 -5.289 3.515 1.121 1.00 0.00 C ATOM 265 CD1 PHE A 18 -3.987 3.057 1.365 1.00 0.00 C ATOM 266 CD2 PHE A 18 -6.358 2.606 1.121 1.00 0.00 C ATOM 267 CE1 PHE A 18 -3.756 1.697 1.604 1.00 0.00 C ATOM 268 CE2 PHE A 18 -6.125 1.248 1.361 1.00 0.00 C ATOM 269 CZ PHE A 18 -4.824 0.793 1.602 1.00 0.00 C ATOM 0 H PHE A 18 -3.660 6.272 1.825 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.963 4.812 -0.594 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.579 5.527 1.818 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.526 5.118 0.401 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.162 3.754 1.369 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.363 2.956 0.935 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.752 1.345 1.790 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -6.949 0.550 1.360 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.644 -0.256 1.786 1.00 0.00 H new ATOM 279 N GLN A 19 -5.043 7.872 -0.698 1.00 0.00 N ATOM 280 CA GLN A 19 -5.633 8.910 -1.597 1.00 0.00 C ATOM 281 C GLN A 19 -4.560 9.435 -2.556 1.00 0.00 C ATOM 282 O GLN A 19 -4.645 10.546 -3.039 1.00 0.00 O ATOM 283 CB GLN A 19 -6.162 10.069 -0.750 1.00 0.00 C ATOM 284 CG GLN A 19 -7.318 9.577 0.124 1.00 0.00 C ATOM 285 CD GLN A 19 -7.884 10.749 0.928 1.00 0.00 C ATOM 286 OE1 GLN A 19 -7.466 10.994 2.042 1.00 0.00 O ATOM 287 NE2 GLN A 19 -8.826 11.487 0.408 1.00 0.00 N ATOM 0 H GLN A 19 -4.620 8.235 0.156 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.447 8.469 -2.172 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -5.364 10.470 -0.125 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.500 10.880 -1.395 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.098 9.139 -0.499 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.971 8.794 0.798 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.177 11.281 -0.527 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.211 12.269 0.937 1.00 0.00 H new ATOM 296 N ASN A 20 -3.558 8.636 -2.843 1.00 0.00 N ATOM 297 CA ASN A 20 -2.475 9.065 -3.783 1.00 0.00 C ATOM 298 C ASN A 20 -2.599 8.221 -5.058 1.00 0.00 C ATOM 299 O ASN A 20 -2.957 7.062 -4.991 1.00 0.00 O ATOM 300 CB ASN A 20 -1.107 8.818 -3.129 1.00 0.00 C ATOM 301 CG ASN A 20 -0.887 9.828 -2.000 1.00 0.00 C ATOM 302 OD1 ASN A 20 -1.667 10.743 -1.826 1.00 0.00 O ATOM 303 ND2 ASN A 20 0.151 9.699 -1.220 1.00 0.00 N ATOM 0 H ASN A 20 -3.445 7.697 -2.462 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.567 10.125 -4.020 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.059 7.802 -2.736 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.315 8.910 -3.872 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.307 10.366 -0.465 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.806 8.931 -1.366 1.00 0.00 H new ATOM 310 N PRO A 21 -2.328 8.777 -6.215 1.00 0.00 N ATOM 311 CA PRO A 21 -2.446 8.017 -7.491 1.00 0.00 C ATOM 312 C PRO A 21 -1.376 6.922 -7.617 1.00 0.00 C ATOM 313 O PRO A 21 -1.669 5.801 -7.981 1.00 0.00 O ATOM 314 CB PRO A 21 -2.286 9.094 -8.578 1.00 0.00 C ATOM 315 CG PRO A 21 -1.485 10.178 -7.926 1.00 0.00 C ATOM 316 CD PRO A 21 -1.884 10.166 -6.445 1.00 0.00 C ATOM 0 HA PRO A 21 -3.393 7.482 -7.564 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.775 8.698 -9.456 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.255 9.465 -8.913 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.416 9.998 -8.044 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -1.697 11.146 -8.379 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.045 10.430 -5.802 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.681 10.881 -6.239 1.00 0.00 H new ATOM 324 N ARG A 22 -0.142 7.231 -7.314 1.00 0.00 N ATOM 325 CA ARG A 22 0.924 6.191 -7.415 1.00 0.00 C ATOM 326 C ARG A 22 0.550 5.024 -6.493 1.00 0.00 C ATOM 327 O ARG A 22 0.824 3.876 -6.780 1.00 0.00 O ATOM 328 CB ARG A 22 2.278 6.786 -6.980 1.00 0.00 C ATOM 329 CG ARG A 22 2.940 7.542 -8.146 1.00 0.00 C ATOM 330 CD ARG A 22 2.100 8.763 -8.538 1.00 0.00 C ATOM 331 NE ARG A 22 0.899 8.320 -9.304 1.00 0.00 N ATOM 332 CZ ARG A 22 1.022 7.897 -10.535 1.00 0.00 C ATOM 333 NH1 ARG A 22 2.197 7.864 -11.103 1.00 0.00 N ATOM 334 NH2 ARG A 22 -0.033 7.508 -11.198 1.00 0.00 N ATOM 0 H ARG A 22 0.172 8.151 -7.004 1.00 0.00 H new ATOM 0 HA ARG A 22 1.010 5.843 -8.444 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.130 7.463 -6.139 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.937 5.989 -6.636 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.943 7.859 -7.859 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.049 6.878 -9.003 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.794 9.308 -7.645 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.696 9.448 -9.141 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.022 8.347 -8.866 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.022 8.169 -10.586 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.290 7.534 -12.063 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.952 7.534 -10.756 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.061 7.178 -12.158 1.00 0.00 H new ATOM 348 N VAL A 23 -0.083 5.320 -5.390 1.00 0.00 N ATOM 349 CA VAL A 23 -0.492 4.243 -4.442 1.00 0.00 C ATOM 350 C VAL A 23 -1.689 3.498 -5.028 1.00 0.00 C ATOM 351 O VAL A 23 -1.676 2.290 -5.157 1.00 0.00 O ATOM 352 CB VAL A 23 -0.872 4.868 -3.096 1.00 0.00 C ATOM 353 CG1 VAL A 23 -1.342 3.778 -2.124 1.00 0.00 C ATOM 354 CG2 VAL A 23 0.354 5.575 -2.514 1.00 0.00 C ATOM 0 H VAL A 23 -0.336 6.266 -5.103 1.00 0.00 H new ATOM 0 HA VAL A 23 0.332 3.545 -4.289 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.681 5.583 -3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.610 4.232 -1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.211 3.269 -2.541 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.539 3.057 -1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.094 6.024 -1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.157 4.852 -2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.685 6.354 -3.201 1.00 0.00 H new ATOM 364 N GLN A 24 -2.722 4.211 -5.405 1.00 0.00 N ATOM 365 CA GLN A 24 -3.911 3.539 -6.005 1.00 0.00 C ATOM 366 C GLN A 24 -3.431 2.647 -7.149 1.00 0.00 C ATOM 367 O GLN A 24 -3.961 1.582 -7.394 1.00 0.00 O ATOM 368 CB GLN A 24 -4.881 4.593 -6.544 1.00 0.00 C ATOM 369 CG GLN A 24 -6.156 3.908 -7.042 1.00 0.00 C ATOM 370 CD GLN A 24 -7.180 4.969 -7.448 1.00 0.00 C ATOM 371 OE1 GLN A 24 -7.704 4.936 -8.544 1.00 0.00 O ATOM 372 NE2 GLN A 24 -7.491 5.916 -6.606 1.00 0.00 N ATOM 0 H GLN A 24 -2.791 5.225 -5.323 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.425 2.941 -5.253 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.124 5.312 -5.762 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.414 5.150 -7.356 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.928 3.264 -7.891 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.568 3.270 -6.260 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.052 5.945 -5.686 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.173 6.628 -6.868 1.00 0.00 H new ATOM 381 N ALA A 25 -2.408 3.078 -7.834 1.00 0.00 N ATOM 382 CA ALA A 25 -1.852 2.269 -8.949 1.00 0.00 C ATOM 383 C ALA A 25 -1.121 1.068 -8.358 1.00 0.00 C ATOM 384 O ALA A 25 -1.085 0.002 -8.937 1.00 0.00 O ATOM 385 CB ALA A 25 -0.870 3.127 -9.749 1.00 0.00 C ATOM 0 H ALA A 25 -1.931 3.964 -7.666 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.651 1.929 -9.607 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.458 2.539 -10.569 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.390 3.996 -10.151 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.061 3.458 -9.097 1.00 0.00 H new ATOM 391 N ALA A 26 -0.549 1.232 -7.197 1.00 0.00 N ATOM 392 CA ALA A 26 0.164 0.097 -6.557 1.00 0.00 C ATOM 393 C ALA A 26 -0.874 -0.946 -6.131 1.00 0.00 C ATOM 394 O ALA A 26 -0.675 -2.134 -6.287 1.00 0.00 O ATOM 395 CB ALA A 26 0.941 0.604 -5.336 1.00 0.00 C ATOM 0 H ALA A 26 -0.546 2.103 -6.666 1.00 0.00 H new ATOM 0 HA ALA A 26 0.870 -0.352 -7.255 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.464 -0.229 -4.866 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.665 1.356 -5.652 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.247 1.046 -4.621 1.00 0.00 H new ATOM 401 N LEU A 27 -1.993 -0.505 -5.613 1.00 0.00 N ATOM 402 CA LEU A 27 -3.058 -1.466 -5.197 1.00 0.00 C ATOM 403 C LEU A 27 -3.703 -2.048 -6.457 1.00 0.00 C ATOM 404 O LEU A 27 -3.867 -3.244 -6.589 1.00 0.00 O ATOM 405 CB LEU A 27 -4.127 -0.734 -4.361 1.00 0.00 C ATOM 406 CG LEU A 27 -3.698 -0.650 -2.890 1.00 0.00 C ATOM 407 CD1 LEU A 27 -2.448 0.222 -2.764 1.00 0.00 C ATOM 408 CD2 LEU A 27 -4.833 -0.032 -2.070 1.00 0.00 C ATOM 0 H LEU A 27 -2.214 0.479 -5.461 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.624 -2.263 -4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.283 0.269 -4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.079 -1.259 -4.438 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.476 -1.651 -2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.148 0.278 -1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.639 -0.214 -3.351 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.665 1.224 -3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.534 0.030 -1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.050 0.968 -2.445 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.724 -0.654 -2.156 1.00 0.00 H new ATOM 420 N MET A 28 -4.064 -1.209 -7.390 1.00 0.00 N ATOM 421 CA MET A 28 -4.689 -1.716 -8.643 1.00 0.00 C ATOM 422 C MET A 28 -3.724 -2.700 -9.303 1.00 0.00 C ATOM 423 O MET A 28 -4.119 -3.733 -9.807 1.00 0.00 O ATOM 424 CB MET A 28 -4.964 -0.540 -9.590 1.00 0.00 C ATOM 425 CG MET A 28 -5.826 -1.006 -10.770 1.00 0.00 C ATOM 426 SD MET A 28 -7.508 -1.347 -10.195 1.00 0.00 S ATOM 427 CE MET A 28 -8.314 -1.310 -11.814 1.00 0.00 C ATOM 0 H MET A 28 -3.953 -0.196 -7.338 1.00 0.00 H new ATOM 0 HA MET A 28 -5.631 -2.216 -8.419 1.00 0.00 H new ATOM 0 HB2 MET A 28 -5.472 0.260 -9.051 1.00 0.00 H new ATOM 0 HB3 MET A 28 -4.023 -0.130 -9.956 1.00 0.00 H new ATOM 0 HG2 MET A 28 -5.844 -0.240 -11.545 1.00 0.00 H new ATOM 0 HG3 MET A 28 -5.395 -1.902 -11.217 1.00 0.00 H new ATOM 0 HE1 MET A 28 -9.381 -1.500 -11.694 1.00 0.00 H new ATOM 0 HE2 MET A 28 -8.169 -0.331 -12.270 1.00 0.00 H new ATOM 0 HE3 MET A 28 -7.879 -2.077 -12.455 1.00 0.00 H new ATOM 437 N GLU A 29 -2.455 -2.392 -9.287 1.00 0.00 N ATOM 438 CA GLU A 29 -1.456 -3.311 -9.894 1.00 0.00 C ATOM 439 C GLU A 29 -1.280 -4.522 -8.977 1.00 0.00 C ATOM 440 O GLU A 29 -0.972 -5.609 -9.422 1.00 0.00 O ATOM 441 CB GLU A 29 -0.116 -2.580 -10.051 1.00 0.00 C ATOM 442 CG GLU A 29 0.853 -3.430 -10.886 1.00 0.00 C ATOM 443 CD GLU A 29 0.381 -3.480 -12.342 1.00 0.00 C ATOM 444 OE1 GLU A 29 -0.397 -2.622 -12.724 1.00 0.00 O ATOM 445 OE2 GLU A 29 0.808 -4.377 -13.050 1.00 0.00 O ATOM 0 H GLU A 29 -2.069 -1.541 -8.878 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.799 -3.639 -10.875 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.273 -1.615 -10.533 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.315 -2.380 -9.070 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.857 -3.009 -10.834 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.909 -4.439 -10.478 1.00 0.00 H new ATOM 452 N CYS A 30 -1.477 -4.345 -7.697 1.00 0.00 N ATOM 453 CA CYS A 30 -1.322 -5.498 -6.760 1.00 0.00 C ATOM 454 C CYS A 30 -2.281 -6.616 -7.172 1.00 0.00 C ATOM 455 O CYS A 30 -1.933 -7.780 -7.169 1.00 0.00 O ATOM 456 CB CYS A 30 -1.638 -5.054 -5.329 1.00 0.00 C ATOM 457 SG CYS A 30 -1.213 -6.385 -4.178 1.00 0.00 S ATOM 0 H CYS A 30 -1.736 -3.460 -7.262 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.295 -5.861 -6.802 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.076 -4.153 -5.084 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.695 -4.804 -5.239 1.00 0.00 H new ATOM 0 HG CYS A 30 -1.479 -6.009 -2.962 1.00 0.00 H new ATOM 463 N SER A 31 -3.491 -6.271 -7.527 1.00 0.00 N ATOM 464 CA SER A 31 -4.476 -7.303 -7.938 1.00 0.00 C ATOM 465 C SER A 31 -3.869 -8.203 -9.018 1.00 0.00 C ATOM 466 O SER A 31 -4.214 -9.362 -9.140 1.00 0.00 O ATOM 467 CB SER A 31 -5.727 -6.619 -8.490 1.00 0.00 C ATOM 468 OG SER A 31 -5.384 -5.881 -9.655 1.00 0.00 O ATOM 0 H SER A 31 -3.837 -5.312 -7.549 1.00 0.00 H new ATOM 0 HA SER A 31 -4.741 -7.911 -7.073 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.487 -7.363 -8.728 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.154 -5.956 -7.738 1.00 0.00 H new ATOM 0 HG SER A 31 -5.323 -4.929 -9.433 1.00 0.00 H new ATOM 474 N GLU A 32 -2.966 -7.679 -9.804 1.00 0.00 N ATOM 475 CA GLU A 32 -2.341 -8.506 -10.874 1.00 0.00 C ATOM 476 C GLU A 32 -1.446 -9.569 -10.240 1.00 0.00 C ATOM 477 O GLU A 32 -1.595 -10.748 -10.488 1.00 0.00 O ATOM 478 CB GLU A 32 -1.488 -7.614 -11.779 1.00 0.00 C ATOM 479 CG GLU A 32 -2.353 -6.491 -12.353 1.00 0.00 C ATOM 480 CD GLU A 32 -1.531 -5.673 -13.352 1.00 0.00 C ATOM 481 OE1 GLU A 32 -0.594 -6.222 -13.908 1.00 0.00 O ATOM 482 OE2 GLU A 32 -1.853 -4.512 -13.543 1.00 0.00 O ATOM 0 H GLU A 32 -2.636 -6.716 -9.750 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.125 -8.985 -11.461 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.657 -7.194 -11.213 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.057 -8.205 -12.587 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.231 -6.909 -12.845 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.713 -5.848 -11.550 1.00 0.00 H new ATOM 489 N ASN A 33 -0.511 -9.157 -9.427 1.00 0.00 N ATOM 490 CA ASN A 33 0.408 -10.136 -8.774 1.00 0.00 C ATOM 491 C ASN A 33 1.486 -9.352 -8.006 1.00 0.00 C ATOM 492 O ASN A 33 1.700 -8.184 -8.261 1.00 0.00 O ATOM 493 CB ASN A 33 1.068 -11.027 -9.861 1.00 0.00 C ATOM 494 CG ASN A 33 0.451 -12.436 -9.864 1.00 0.00 C ATOM 495 OD1 ASN A 33 -0.644 -12.641 -9.377 1.00 0.00 O ATOM 496 ND2 ASN A 33 1.118 -13.422 -10.398 1.00 0.00 N ATOM 0 H ASN A 33 -0.343 -8.180 -9.185 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.143 -10.775 -8.084 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.940 -10.567 -10.841 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.141 -11.096 -9.679 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.721 -14.361 -10.406 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.037 -13.253 -10.807 1.00 0.00 H new ATOM 503 N PRO A 34 2.165 -9.984 -7.076 1.00 0.00 N ATOM 504 CA PRO A 34 3.236 -9.317 -6.278 1.00 0.00 C ATOM 505 C PRO A 34 4.240 -8.584 -7.179 1.00 0.00 C ATOM 506 O PRO A 34 5.089 -7.851 -6.710 1.00 0.00 O ATOM 507 CB PRO A 34 3.910 -10.473 -5.496 1.00 0.00 C ATOM 508 CG PRO A 34 3.380 -11.738 -6.108 1.00 0.00 C ATOM 509 CD PRO A 34 2.004 -11.391 -6.674 1.00 0.00 C ATOM 0 HA PRO A 34 2.837 -8.549 -5.616 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.996 -10.422 -5.580 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.669 -10.421 -4.434 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.044 -12.099 -6.893 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.306 -12.530 -5.363 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.742 -12.026 -7.520 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.217 -11.512 -5.929 1.00 0.00 H new ATOM 517 N MET A 35 4.146 -8.774 -8.467 1.00 0.00 N ATOM 518 CA MET A 35 5.088 -8.088 -9.392 1.00 0.00 C ATOM 519 C MET A 35 4.834 -6.583 -9.313 1.00 0.00 C ATOM 520 O MET A 35 5.565 -5.785 -9.866 1.00 0.00 O ATOM 521 CB MET A 35 4.856 -8.585 -10.829 1.00 0.00 C ATOM 522 CG MET A 35 5.525 -9.950 -11.026 1.00 0.00 C ATOM 523 SD MET A 35 4.878 -11.128 -9.814 1.00 0.00 S ATOM 524 CE MET A 35 5.337 -12.639 -10.697 1.00 0.00 C ATOM 0 H MET A 35 3.456 -9.376 -8.918 1.00 0.00 H new ATOM 0 HA MET A 35 6.118 -8.305 -9.109 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.787 -8.663 -11.028 1.00 0.00 H new ATOM 0 HB3 MET A 35 5.261 -7.866 -11.541 1.00 0.00 H new ATOM 0 HG2 MET A 35 5.339 -10.314 -12.036 1.00 0.00 H new ATOM 0 HG3 MET A 35 6.605 -9.856 -10.915 1.00 0.00 H new ATOM 0 HE1 MET A 35 5.026 -13.508 -10.117 1.00 0.00 H new ATOM 0 HE2 MET A 35 4.844 -12.656 -11.669 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.418 -12.664 -10.837 1.00 0.00 H new ATOM 534 N ASN A 36 3.798 -6.192 -8.626 1.00 0.00 N ATOM 535 CA ASN A 36 3.488 -4.743 -8.503 1.00 0.00 C ATOM 536 C ASN A 36 4.686 -4.011 -7.905 1.00 0.00 C ATOM 537 O ASN A 36 5.220 -3.086 -8.484 1.00 0.00 O ATOM 538 CB ASN A 36 2.277 -4.549 -7.579 1.00 0.00 C ATOM 539 CG ASN A 36 2.429 -5.423 -6.329 1.00 0.00 C ATOM 540 OD1 ASN A 36 3.321 -6.242 -6.245 1.00 0.00 O ATOM 541 ND2 ASN A 36 1.586 -5.278 -5.343 1.00 0.00 N ATOM 0 H ASN A 36 3.151 -6.816 -8.143 1.00 0.00 H new ATOM 0 HA ASN A 36 3.265 -4.343 -9.492 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.192 -3.501 -7.292 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.360 -4.811 -8.107 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.678 -5.852 -4.505 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.835 -4.591 -5.411 1.00 0.00 H new ATOM 548 N ILE A 37 5.093 -4.409 -6.736 1.00 0.00 N ATOM 549 CA ILE A 37 6.234 -3.731 -6.072 1.00 0.00 C ATOM 550 C ILE A 37 7.521 -3.962 -6.869 1.00 0.00 C ATOM 551 O ILE A 37 8.460 -3.198 -6.779 1.00 0.00 O ATOM 552 CB ILE A 37 6.372 -4.279 -4.637 1.00 0.00 C ATOM 553 CG1 ILE A 37 7.216 -3.313 -3.783 1.00 0.00 C ATOM 554 CG2 ILE A 37 7.034 -5.668 -4.654 1.00 0.00 C ATOM 555 CD1 ILE A 37 6.479 -1.974 -3.585 1.00 0.00 C ATOM 0 H ILE A 37 4.682 -5.179 -6.209 1.00 0.00 H new ATOM 0 HA ILE A 37 6.054 -2.657 -6.030 1.00 0.00 H new ATOM 0 HB ILE A 37 5.376 -4.368 -4.203 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.425 -3.765 -2.814 1.00 0.00 H new ATOM 0 HG13 ILE A 37 8.177 -3.137 -4.267 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.124 -6.041 -3.634 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.423 -6.355 -5.239 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.025 -5.593 -5.102 1.00 0.00 H new ATOM 0 HD11 ILE A 37 7.093 -1.307 -2.979 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.293 -1.514 -4.556 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.530 -2.152 -3.080 1.00 0.00 H new ATOM 567 N MET A 38 7.575 -5.005 -7.649 1.00 0.00 N ATOM 568 CA MET A 38 8.806 -5.272 -8.446 1.00 0.00 C ATOM 569 C MET A 38 8.972 -4.194 -9.523 1.00 0.00 C ATOM 570 O MET A 38 9.593 -4.416 -10.543 1.00 0.00 O ATOM 571 CB MET A 38 8.692 -6.646 -9.112 1.00 0.00 C ATOM 572 CG MET A 38 8.670 -7.742 -8.041 1.00 0.00 C ATOM 573 SD MET A 38 10.309 -7.882 -7.280 1.00 0.00 S ATOM 574 CE MET A 38 11.015 -9.080 -8.440 1.00 0.00 C ATOM 0 H MET A 38 6.823 -5.683 -7.770 1.00 0.00 H new ATOM 0 HA MET A 38 9.673 -5.256 -7.786 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.784 -6.694 -9.714 1.00 0.00 H new ATOM 0 HB3 MET A 38 9.532 -6.803 -9.789 1.00 0.00 H new ATOM 0 HG2 MET A 38 7.924 -7.507 -7.282 1.00 0.00 H new ATOM 0 HG3 MET A 38 8.382 -8.694 -8.487 1.00 0.00 H new ATOM 0 HE1 MET A 38 12.040 -9.308 -8.148 1.00 0.00 H new ATOM 0 HE2 MET A 38 10.421 -9.994 -8.425 1.00 0.00 H new ATOM 0 HE3 MET A 38 11.009 -8.660 -9.446 1.00 0.00 H new ATOM 584 N LYS A 39 8.423 -3.024 -9.306 1.00 0.00 N ATOM 585 CA LYS A 39 8.549 -1.929 -10.314 1.00 0.00 C ATOM 586 C LYS A 39 8.478 -0.575 -9.602 1.00 0.00 C ATOM 587 O LYS A 39 9.161 0.362 -9.965 1.00 0.00 O ATOM 588 CB LYS A 39 7.400 -2.026 -11.328 1.00 0.00 C ATOM 589 CG LYS A 39 7.528 -3.318 -12.151 1.00 0.00 C ATOM 590 CD LYS A 39 6.605 -3.256 -13.377 1.00 0.00 C ATOM 591 CE LYS A 39 5.157 -2.998 -12.937 1.00 0.00 C ATOM 592 NZ LYS A 39 4.841 -3.828 -11.741 1.00 0.00 N ATOM 0 H LYS A 39 7.891 -2.781 -8.470 1.00 0.00 H new ATOM 0 HA LYS A 39 9.502 -2.024 -10.834 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.443 -2.011 -10.807 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.416 -1.161 -11.991 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.561 -3.454 -12.470 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.269 -4.179 -11.534 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.935 -2.465 -14.050 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.663 -4.192 -13.933 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.020 -1.942 -12.705 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.471 -3.238 -13.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.831 -4.078 -11.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.413 -4.697 -11.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.058 -3.290 -10.878 1.00 0.00 H new ATOM 606 N TYR A 40 7.651 -0.459 -8.593 1.00 0.00 N ATOM 607 CA TYR A 40 7.531 0.837 -7.866 1.00 0.00 C ATOM 608 C TYR A 40 8.648 0.962 -6.827 1.00 0.00 C ATOM 609 O TYR A 40 8.712 1.928 -6.093 1.00 0.00 O ATOM 610 CB TYR A 40 6.174 0.901 -7.162 1.00 0.00 C ATOM 611 CG TYR A 40 5.077 0.573 -8.148 1.00 0.00 C ATOM 612 CD1 TYR A 40 4.849 1.430 -9.229 1.00 0.00 C ATOM 613 CD2 TYR A 40 4.290 -0.577 -7.989 1.00 0.00 C ATOM 614 CE1 TYR A 40 3.841 1.143 -10.153 1.00 0.00 C ATOM 615 CE2 TYR A 40 3.279 -0.864 -8.915 1.00 0.00 C ATOM 616 CZ TYR A 40 3.055 -0.004 -9.997 1.00 0.00 C ATOM 617 OH TYR A 40 2.059 -0.288 -10.909 1.00 0.00 O ATOM 0 H TYR A 40 7.054 -1.208 -8.243 1.00 0.00 H new ATOM 0 HA TYR A 40 7.615 1.656 -8.581 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.151 0.198 -6.329 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.016 1.895 -6.744 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.454 2.316 -9.350 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.463 -1.240 -7.154 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.669 1.806 -10.988 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.672 -1.749 -8.794 1.00 0.00 H new ATOM 0 HH TYR A 40 2.309 0.067 -11.788 1.00 0.00 H new ATOM 627 N GLN A 41 9.535 0.003 -6.758 1.00 0.00 N ATOM 628 CA GLN A 41 10.647 0.092 -5.763 1.00 0.00 C ATOM 629 C GLN A 41 11.345 1.448 -5.926 1.00 0.00 C ATOM 630 O GLN A 41 11.973 1.951 -5.015 1.00 0.00 O ATOM 631 CB GLN A 41 11.648 -1.056 -6.005 1.00 0.00 C ATOM 632 CG GLN A 41 11.258 -2.284 -5.172 1.00 0.00 C ATOM 633 CD GLN A 41 12.115 -3.482 -5.588 1.00 0.00 C ATOM 634 OE1 GLN A 41 12.914 -3.971 -4.814 1.00 0.00 O ATOM 635 NE2 GLN A 41 11.980 -3.980 -6.787 1.00 0.00 N ATOM 0 H GLN A 41 9.539 -0.833 -7.343 1.00 0.00 H new ATOM 0 HA GLN A 41 10.254 0.005 -4.750 1.00 0.00 H new ATOM 0 HB2 GLN A 41 11.665 -1.316 -7.063 1.00 0.00 H new ATOM 0 HB3 GLN A 41 12.655 -0.732 -5.740 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.398 -2.075 -4.111 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.202 -2.513 -5.316 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.309 -3.570 -7.437 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.545 -4.779 -7.074 1.00 0.00 H new ATOM 644 N ASN A 42 11.224 2.047 -7.082 1.00 0.00 N ATOM 645 CA ASN A 42 11.859 3.377 -7.315 1.00 0.00 C ATOM 646 C ASN A 42 10.899 4.472 -6.848 1.00 0.00 C ATOM 647 O ASN A 42 11.310 5.517 -6.383 1.00 0.00 O ATOM 648 CB ASN A 42 12.142 3.550 -8.809 1.00 0.00 C ATOM 649 CG ASN A 42 12.892 4.864 -9.038 1.00 0.00 C ATOM 650 OD1 ASN A 42 13.964 5.066 -8.502 1.00 0.00 O ATOM 651 ND2 ASN A 42 12.370 5.772 -9.816 1.00 0.00 N ATOM 0 H ASN A 42 10.710 1.670 -7.878 1.00 0.00 H new ATOM 0 HA ASN A 42 12.795 3.444 -6.760 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.734 2.712 -9.177 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.207 3.550 -9.369 1.00 0.00 H new ATOM 0 HD21 ASN A 42 12.862 6.652 -9.975 1.00 0.00 H new ATOM 0 HD22 ASN A 42 11.470 5.602 -10.266 1.00 0.00 H new ATOM 658 N ASP A 43 9.619 4.238 -6.966 1.00 0.00 N ATOM 659 CA ASP A 43 8.629 5.260 -6.526 1.00 0.00 C ATOM 660 C ASP A 43 8.701 5.401 -4.999 1.00 0.00 C ATOM 661 O ASP A 43 8.099 4.644 -4.263 1.00 0.00 O ATOM 662 CB ASP A 43 7.226 4.809 -6.957 1.00 0.00 C ATOM 663 CG ASP A 43 6.268 6.003 -6.948 1.00 0.00 C ATOM 664 OD1 ASP A 43 6.100 6.595 -5.895 1.00 0.00 O ATOM 665 OD2 ASP A 43 5.720 6.303 -7.995 1.00 0.00 O ATOM 0 H ASP A 43 9.217 3.382 -7.349 1.00 0.00 H new ATOM 0 HA ASP A 43 8.849 6.226 -6.981 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.266 4.371 -7.955 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.861 4.034 -6.283 1.00 0.00 H new ATOM 670 N LYS A 44 9.459 6.353 -4.524 1.00 0.00 N ATOM 671 CA LYS A 44 9.618 6.544 -3.057 1.00 0.00 C ATOM 672 C LYS A 44 8.258 6.599 -2.350 1.00 0.00 C ATOM 673 O LYS A 44 8.142 6.235 -1.196 1.00 0.00 O ATOM 674 CB LYS A 44 10.383 7.849 -2.798 1.00 0.00 C ATOM 675 CG LYS A 44 11.865 7.658 -3.154 1.00 0.00 C ATOM 676 CD LYS A 44 12.571 9.020 -3.220 1.00 0.00 C ATOM 677 CE LYS A 44 12.532 9.707 -1.848 1.00 0.00 C ATOM 678 NZ LYS A 44 13.541 10.803 -1.817 1.00 0.00 N ATOM 0 H LYS A 44 9.981 7.014 -5.100 1.00 0.00 H new ATOM 0 HA LYS A 44 10.173 5.695 -2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.957 8.656 -3.394 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.284 8.138 -1.752 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.347 7.025 -2.409 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.954 7.147 -4.112 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.605 8.886 -3.538 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.088 9.652 -3.965 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.537 10.108 -1.658 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.740 8.983 -1.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.517 11.271 -0.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.489 10.407 -1.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.322 11.497 -2.560 1.00 0.00 H new ATOM 692 N GLU A 45 7.235 7.061 -3.009 1.00 0.00 N ATOM 693 CA GLU A 45 5.905 7.140 -2.338 1.00 0.00 C ATOM 694 C GLU A 45 5.343 5.730 -2.122 1.00 0.00 C ATOM 695 O GLU A 45 4.833 5.410 -1.069 1.00 0.00 O ATOM 696 CB GLU A 45 4.940 7.952 -3.209 1.00 0.00 C ATOM 697 CG GLU A 45 3.647 8.224 -2.433 1.00 0.00 C ATOM 698 CD GLU A 45 2.765 9.187 -3.230 1.00 0.00 C ATOM 699 OE1 GLU A 45 2.061 8.723 -4.111 1.00 0.00 O ATOM 700 OE2 GLU A 45 2.808 10.373 -2.945 1.00 0.00 O ATOM 0 H GLU A 45 7.258 7.386 -3.976 1.00 0.00 H new ATOM 0 HA GLU A 45 6.020 7.628 -1.370 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.404 8.894 -3.502 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.717 7.407 -4.126 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.114 7.290 -2.254 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.879 8.650 -1.457 1.00 0.00 H new ATOM 707 N VAL A 46 5.427 4.887 -3.112 1.00 0.00 N ATOM 708 CA VAL A 46 4.885 3.506 -2.967 1.00 0.00 C ATOM 709 C VAL A 46 5.790 2.673 -2.066 1.00 0.00 C ATOM 710 O VAL A 46 5.322 1.881 -1.291 1.00 0.00 O ATOM 711 CB VAL A 46 4.818 2.834 -4.335 1.00 0.00 C ATOM 712 CG1 VAL A 46 4.126 1.472 -4.211 1.00 0.00 C ATOM 713 CG2 VAL A 46 4.035 3.719 -5.305 1.00 0.00 C ATOM 0 H VAL A 46 5.848 5.094 -4.018 1.00 0.00 H new ATOM 0 HA VAL A 46 3.890 3.572 -2.528 1.00 0.00 H new ATOM 0 HB VAL A 46 5.830 2.690 -4.713 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.081 0.996 -5.191 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.689 0.839 -3.526 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.115 1.611 -3.828 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.989 3.237 -6.281 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.024 3.869 -4.926 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.533 4.684 -5.400 1.00 0.00 H new ATOM 723 N MET A 47 7.078 2.821 -2.173 1.00 0.00 N ATOM 724 CA MET A 47 7.979 1.994 -1.317 1.00 0.00 C ATOM 725 C MET A 47 7.719 2.338 0.146 1.00 0.00 C ATOM 726 O MET A 47 7.602 1.473 0.979 1.00 0.00 O ATOM 727 CB MET A 47 9.460 2.225 -1.708 1.00 0.00 C ATOM 728 CG MET A 47 10.087 3.380 -0.912 1.00 0.00 C ATOM 729 SD MET A 47 11.724 3.757 -1.593 1.00 0.00 S ATOM 730 CE MET A 47 12.670 2.549 -0.632 1.00 0.00 C ATOM 0 H MET A 47 7.545 3.469 -2.807 1.00 0.00 H new ATOM 0 HA MET A 47 7.771 0.935 -1.469 1.00 0.00 H new ATOM 0 HB2 MET A 47 10.029 1.312 -1.533 1.00 0.00 H new ATOM 0 HB3 MET A 47 9.525 2.441 -2.774 1.00 0.00 H new ATOM 0 HG2 MET A 47 9.448 4.261 -0.963 1.00 0.00 H new ATOM 0 HG3 MET A 47 10.172 3.108 0.140 1.00 0.00 H new ATOM 0 HE1 MET A 47 13.724 2.614 -0.902 1.00 0.00 H new ATOM 0 HE2 MET A 47 12.554 2.759 0.431 1.00 0.00 H new ATOM 0 HE3 MET A 47 12.302 1.545 -0.846 1.00 0.00 H new ATOM 740 N ASP A 48 7.617 3.592 0.462 1.00 0.00 N ATOM 741 CA ASP A 48 7.351 3.981 1.872 1.00 0.00 C ATOM 742 C ASP A 48 5.999 3.404 2.309 1.00 0.00 C ATOM 743 O ASP A 48 5.808 3.014 3.447 1.00 0.00 O ATOM 744 CB ASP A 48 7.306 5.512 1.959 1.00 0.00 C ATOM 745 CG ASP A 48 8.725 6.079 1.866 1.00 0.00 C ATOM 746 OD1 ASP A 48 9.558 5.672 2.659 1.00 0.00 O ATOM 747 OD2 ASP A 48 8.954 6.909 1.002 1.00 0.00 O ATOM 0 H ASP A 48 7.706 4.368 -0.194 1.00 0.00 H new ATOM 0 HA ASP A 48 8.136 3.595 2.523 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.691 5.913 1.154 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.843 5.819 2.897 1.00 0.00 H new ATOM 752 N VAL A 49 5.059 3.361 1.410 1.00 0.00 N ATOM 753 CA VAL A 49 3.706 2.838 1.746 1.00 0.00 C ATOM 754 C VAL A 49 3.730 1.311 1.832 1.00 0.00 C ATOM 755 O VAL A 49 3.335 0.722 2.818 1.00 0.00 O ATOM 756 CB VAL A 49 2.759 3.284 0.625 1.00 0.00 C ATOM 757 CG1 VAL A 49 1.397 2.587 0.753 1.00 0.00 C ATOM 758 CG2 VAL A 49 2.581 4.811 0.695 1.00 0.00 C ATOM 0 H VAL A 49 5.171 3.670 0.444 1.00 0.00 H new ATOM 0 HA VAL A 49 3.377 3.220 2.712 1.00 0.00 H new ATOM 0 HB VAL A 49 3.190 3.007 -0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.742 2.918 -0.052 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.533 1.507 0.689 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.948 2.840 1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.909 5.136 -0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.159 5.084 1.662 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.549 5.296 0.572 1.00 0.00 H new ATOM 768 N PHE A 50 4.177 0.675 0.796 1.00 0.00 N ATOM 769 CA PHE A 50 4.223 -0.807 0.774 1.00 0.00 C ATOM 770 C PHE A 50 5.232 -1.299 1.816 1.00 0.00 C ATOM 771 O PHE A 50 5.122 -2.394 2.334 1.00 0.00 O ATOM 772 CB PHE A 50 4.594 -1.277 -0.654 1.00 0.00 C ATOM 773 CG PHE A 50 3.374 -1.902 -1.294 1.00 0.00 C ATOM 774 CD1 PHE A 50 2.453 -1.093 -1.967 1.00 0.00 C ATOM 775 CD2 PHE A 50 3.149 -3.279 -1.188 1.00 0.00 C ATOM 776 CE1 PHE A 50 1.310 -1.657 -2.535 1.00 0.00 C ATOM 777 CE2 PHE A 50 2.006 -3.846 -1.760 1.00 0.00 C ATOM 778 CZ PHE A 50 1.084 -3.035 -2.433 1.00 0.00 C ATOM 0 H PHE A 50 4.519 1.126 -0.053 1.00 0.00 H new ATOM 0 HA PHE A 50 3.250 -1.227 1.029 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.943 -0.434 -1.250 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.410 -1.998 -0.614 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.627 -0.030 -2.047 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.858 -3.904 -0.665 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.599 -1.030 -3.053 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.834 -4.909 -1.683 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.200 -3.472 -2.873 1.00 0.00 H new ATOM 788 N ASN A 51 6.202 -0.492 2.143 1.00 0.00 N ATOM 789 CA ASN A 51 7.203 -0.904 3.168 1.00 0.00 C ATOM 790 C ASN A 51 6.583 -0.713 4.546 1.00 0.00 C ATOM 791 O ASN A 51 6.937 -1.382 5.495 1.00 0.00 O ATOM 792 CB ASN A 51 8.466 -0.044 3.054 1.00 0.00 C ATOM 793 CG ASN A 51 9.481 -0.487 4.109 1.00 0.00 C ATOM 794 OD1 ASN A 51 9.586 -1.658 4.415 1.00 0.00 O ATOM 795 ND2 ASN A 51 10.239 0.407 4.683 1.00 0.00 N ATOM 0 H ASN A 51 6.346 0.436 1.745 1.00 0.00 H new ATOM 0 HA ASN A 51 7.478 -1.947 3.013 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.896 -0.141 2.057 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.216 1.008 3.193 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.919 0.122 5.388 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.151 1.390 4.427 1.00 0.00 H new ATOM 802 N LYS A 52 5.639 0.185 4.663 1.00 0.00 N ATOM 803 CA LYS A 52 4.984 0.394 5.983 1.00 0.00 C ATOM 804 C LYS A 52 3.980 -0.732 6.171 1.00 0.00 C ATOM 805 O LYS A 52 3.905 -1.372 7.200 1.00 0.00 O ATOM 806 CB LYS A 52 4.258 1.745 5.991 1.00 0.00 C ATOM 807 CG LYS A 52 3.415 1.879 7.273 1.00 0.00 C ATOM 808 CD LYS A 52 2.955 3.342 7.469 1.00 0.00 C ATOM 809 CE LYS A 52 4.027 4.147 8.217 1.00 0.00 C ATOM 810 NZ LYS A 52 4.257 3.544 9.560 1.00 0.00 N ATOM 0 H LYS A 52 5.297 0.777 3.906 1.00 0.00 H new ATOM 0 HA LYS A 52 5.720 0.394 6.787 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.983 2.557 5.935 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.617 1.829 5.113 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.546 1.223 7.214 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.999 1.557 8.135 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.758 3.800 6.500 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.020 3.364 8.028 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.956 4.154 7.646 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.710 5.185 8.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.720 4.240 10.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.346 3.264 9.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.866 2.707 9.465 1.00 0.00 H new ATOM 824 N ILE A 53 3.220 -0.974 5.153 1.00 0.00 N ATOM 825 CA ILE A 53 2.204 -2.053 5.182 1.00 0.00 C ATOM 826 C ILE A 53 2.868 -3.364 5.628 1.00 0.00 C ATOM 827 O ILE A 53 2.327 -4.109 6.419 1.00 0.00 O ATOM 828 CB ILE A 53 1.631 -2.168 3.741 1.00 0.00 C ATOM 829 CG1 ILE A 53 0.262 -1.472 3.655 1.00 0.00 C ATOM 830 CG2 ILE A 53 1.489 -3.627 3.286 1.00 0.00 C ATOM 831 CD1 ILE A 53 0.353 -0.030 4.178 1.00 0.00 C ATOM 0 H ILE A 53 3.260 -0.455 4.276 1.00 0.00 H new ATOM 0 HA ILE A 53 1.400 -1.839 5.886 1.00 0.00 H new ATOM 0 HB ILE A 53 2.342 -1.677 3.076 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.086 -1.468 2.622 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.472 -2.030 4.236 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.085 -3.655 2.274 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.466 -4.109 3.300 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.814 -4.154 3.960 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.626 0.445 4.109 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.678 -0.040 5.218 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.071 0.530 3.579 1.00 0.00 H new ATOM 843 N SER A 54 4.026 -3.655 5.105 1.00 0.00 N ATOM 844 CA SER A 54 4.718 -4.928 5.470 1.00 0.00 C ATOM 845 C SER A 54 5.435 -4.794 6.817 1.00 0.00 C ATOM 846 O SER A 54 5.515 -5.738 7.579 1.00 0.00 O ATOM 847 CB SER A 54 5.740 -5.272 4.385 1.00 0.00 C ATOM 848 OG SER A 54 6.559 -6.344 4.834 1.00 0.00 O ATOM 0 H SER A 54 4.526 -3.067 4.439 1.00 0.00 H new ATOM 0 HA SER A 54 3.973 -5.719 5.552 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.229 -5.551 3.463 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.354 -4.400 4.158 1.00 0.00 H new ATOM 0 HG SER A 54 7.214 -6.568 4.140 1.00 0.00 H new ATOM 854 N GLN A 55 5.968 -3.642 7.119 1.00 0.00 N ATOM 855 CA GLN A 55 6.687 -3.477 8.418 1.00 0.00 C ATOM 856 C GLN A 55 5.678 -3.538 9.567 1.00 0.00 C ATOM 857 O GLN A 55 5.967 -4.048 10.632 1.00 0.00 O ATOM 858 CB GLN A 55 7.420 -2.124 8.435 1.00 0.00 C ATOM 859 CG GLN A 55 8.724 -2.221 7.626 1.00 0.00 C ATOM 860 CD GLN A 55 9.760 -3.034 8.408 1.00 0.00 C ATOM 861 OE1 GLN A 55 9.741 -3.056 9.623 1.00 0.00 O ATOM 862 NE2 GLN A 55 10.669 -3.707 7.758 1.00 0.00 N ATOM 0 H GLN A 55 5.938 -2.811 6.528 1.00 0.00 H new ATOM 0 HA GLN A 55 7.417 -4.278 8.536 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.779 -1.349 8.015 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.641 -1.834 9.462 1.00 0.00 H new ATOM 0 HG2 GLN A 55 8.531 -2.692 6.662 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.111 -1.223 7.421 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.685 -3.689 6.738 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.364 -4.251 8.269 1.00 0.00 H new ATOM 871 N LEU A 56 4.496 -3.024 9.360 1.00 0.00 N ATOM 872 CA LEU A 56 3.460 -3.050 10.436 1.00 0.00 C ATOM 873 C LEU A 56 2.637 -4.337 10.313 1.00 0.00 C ATOM 874 O LEU A 56 2.108 -4.833 11.288 1.00 0.00 O ATOM 875 CB LEU A 56 2.546 -1.821 10.280 1.00 0.00 C ATOM 876 CG LEU A 56 3.206 -0.581 10.909 1.00 0.00 C ATOM 877 CD1 LEU A 56 4.623 -0.385 10.348 1.00 0.00 C ATOM 878 CD2 LEU A 56 2.358 0.654 10.592 1.00 0.00 C ATOM 0 H LEU A 56 4.201 -2.585 8.488 1.00 0.00 H new ATOM 0 HA LEU A 56 3.935 -3.024 11.417 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.347 -1.639 9.224 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.585 -2.011 10.757 1.00 0.00 H new ATOM 0 HG LEU A 56 3.272 -0.722 11.988 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.076 0.496 10.803 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.229 -1.262 10.575 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.571 -0.249 9.268 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.820 1.536 11.035 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.292 0.783 9.512 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.357 0.524 11.004 1.00 0.00 H new