USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=10 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 Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -3.93 K(o=-3.9,f=-4.5!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.442 X(o=-0.44,f=-0.0045) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.224 F(o=-3.2!,f=-0.22) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0.07) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot -28:sc=0.000588 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -2.34! C(o=-2.3!,f=-3.9!) USER MOD Single : A 35 MET CE :methyl -140:sc= -0.249 (180deg=-1.61) USER MOD Single : A 36 ASN : amide:sc= -9.4! C(o=-9.4!,f=-11!) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 86:sc= -0.84 USER MOD Single : A 41 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 42 ASN : amide:sc= -2.82! C(o=-2.8!,f=-4.2!) USER MOD Single : A 44 LYS NZ :NH3+ 157:sc= -1.08 (180deg=-1.69) USER MOD Single : A 47 MET CE :methyl 161:sc= -0.0528 (180deg=-0.85) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 52 LYS NZ :NH3+ -138:sc= -3.6! (180deg=-5.76!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 115 N ILE A 8 -7.088 -0.202 7.890 1.00 0.00 N ATOM 116 CA ILE A 8 -6.118 0.853 7.467 1.00 0.00 C ATOM 117 C ILE A 8 -6.233 2.050 8.419 1.00 0.00 C ATOM 118 O ILE A 8 -5.285 2.778 8.638 1.00 0.00 O ATOM 119 CB ILE A 8 -6.433 1.327 6.030 1.00 0.00 C ATOM 120 CG1 ILE A 8 -6.733 0.131 5.097 1.00 0.00 C ATOM 121 CG2 ILE A 8 -5.256 2.137 5.476 1.00 0.00 C ATOM 122 CD1 ILE A 8 -5.481 -0.708 4.825 1.00 0.00 C ATOM 0 HA ILE A 8 -5.110 0.439 7.495 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.322 1.957 6.070 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.501 -0.498 5.548 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.136 0.499 4.153 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.486 2.467 4.463 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.082 3.006 6.110 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.361 1.515 5.460 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.735 -1.538 4.166 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.722 -0.086 4.350 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.093 -1.098 5.766 1.00 0.00 H new ATOM 134 N MET A 9 -7.394 2.262 8.979 1.00 0.00 N ATOM 135 CA MET A 9 -7.581 3.413 9.909 1.00 0.00 C ATOM 136 C MET A 9 -6.577 3.315 11.057 1.00 0.00 C ATOM 137 O MET A 9 -6.456 4.210 11.869 1.00 0.00 O ATOM 138 CB MET A 9 -9.004 3.385 10.472 1.00 0.00 C ATOM 139 CG MET A 9 -10.006 3.626 9.341 1.00 0.00 C ATOM 140 SD MET A 9 -11.692 3.556 10.001 1.00 0.00 S ATOM 141 CE MET A 9 -11.835 5.296 10.483 1.00 0.00 C ATOM 0 H MET A 9 -8.223 1.686 8.832 1.00 0.00 H new ATOM 0 HA MET A 9 -7.420 4.345 9.368 1.00 0.00 H new ATOM 0 HB2 MET A 9 -9.200 2.423 10.947 1.00 0.00 H new ATOM 0 HB3 MET A 9 -9.117 4.149 11.241 1.00 0.00 H new ATOM 0 HG2 MET A 9 -9.824 4.597 8.881 1.00 0.00 H new ATOM 0 HG3 MET A 9 -9.878 2.875 8.561 1.00 0.00 H new ATOM 0 HE1 MET A 9 -12.817 5.473 10.921 1.00 0.00 H new ATOM 0 HE2 MET A 9 -11.063 5.535 11.215 1.00 0.00 H new ATOM 0 HE3 MET A 9 -11.710 5.928 9.604 1.00 0.00 H new ATOM 151 N GLU A 10 -5.857 2.233 11.129 1.00 0.00 N ATOM 152 CA GLU A 10 -4.861 2.070 12.221 1.00 0.00 C ATOM 153 C GLU A 10 -3.728 3.084 12.037 1.00 0.00 C ATOM 154 O GLU A 10 -2.897 3.267 12.905 1.00 0.00 O ATOM 155 CB GLU A 10 -4.298 0.645 12.173 1.00 0.00 C ATOM 156 CG GLU A 10 -3.491 0.439 10.882 1.00 0.00 C ATOM 157 CD GLU A 10 -3.200 -1.051 10.690 1.00 0.00 C ATOM 158 OE1 GLU A 10 -3.158 -1.758 11.683 1.00 0.00 O ATOM 159 OE2 GLU A 10 -3.025 -1.458 9.555 1.00 0.00 O ATOM 0 H GLU A 10 -5.916 1.452 10.476 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.337 2.242 13.186 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.662 0.467 13.041 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.112 -0.078 12.221 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.048 0.824 10.028 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.557 0.999 10.932 1.00 0.00 H new ATOM 166 N ASN A 11 -3.687 3.738 10.908 1.00 0.00 N ATOM 167 CA ASN A 11 -2.609 4.736 10.650 1.00 0.00 C ATOM 168 C ASN A 11 -3.099 5.738 9.593 1.00 0.00 C ATOM 169 O ASN A 11 -2.939 5.509 8.411 1.00 0.00 O ATOM 170 CB ASN A 11 -1.369 4.006 10.117 1.00 0.00 C ATOM 171 CG ASN A 11 -0.716 3.207 11.249 1.00 0.00 C ATOM 172 OD1 ASN A 11 -0.576 3.697 12.352 1.00 0.00 O ATOM 173 ND2 ASN A 11 -0.308 1.990 11.020 1.00 0.00 N ATOM 0 H ASN A 11 -4.358 3.623 10.148 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.360 5.263 11.571 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.650 3.338 9.302 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -0.659 4.725 9.709 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.129 1.449 11.767 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.425 1.578 10.094 1.00 0.00 H new ATOM 180 N PRO A 12 -3.693 6.840 10.000 1.00 0.00 N ATOM 181 CA PRO A 12 -4.200 7.867 9.041 1.00 0.00 C ATOM 182 C PRO A 12 -3.175 8.177 7.944 1.00 0.00 C ATOM 183 O PRO A 12 -3.484 8.787 6.940 1.00 0.00 O ATOM 184 CB PRO A 12 -4.453 9.089 9.934 1.00 0.00 C ATOM 185 CG PRO A 12 -4.811 8.502 11.262 1.00 0.00 C ATOM 186 CD PRO A 12 -3.952 7.237 11.400 1.00 0.00 C ATOM 0 HA PRO A 12 -5.090 7.539 8.504 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.568 9.722 10.003 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -5.259 9.709 9.542 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.606 9.205 12.069 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.873 8.262 11.311 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.026 7.438 11.938 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.476 6.454 11.949 1.00 0.00 H new ATOM 194 N ASP A 13 -1.959 7.746 8.131 1.00 0.00 N ATOM 195 CA ASP A 13 -0.905 7.994 7.109 1.00 0.00 C ATOM 196 C ASP A 13 -1.183 7.119 5.886 1.00 0.00 C ATOM 197 O ASP A 13 -1.057 7.550 4.757 1.00 0.00 O ATOM 198 CB ASP A 13 0.463 7.636 7.694 1.00 0.00 C ATOM 199 CG ASP A 13 1.565 8.040 6.712 1.00 0.00 C ATOM 200 OD1 ASP A 13 1.265 8.172 5.536 1.00 0.00 O ATOM 201 OD2 ASP A 13 2.690 8.210 7.151 1.00 0.00 O ATOM 0 H ASP A 13 -1.648 7.229 8.954 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.910 9.045 6.819 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.607 8.146 8.647 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.515 6.566 7.894 1.00 0.00 H new ATOM 206 N VAL A 14 -1.574 5.892 6.107 1.00 0.00 N ATOM 207 CA VAL A 14 -1.876 4.983 4.966 1.00 0.00 C ATOM 208 C VAL A 14 -3.214 5.394 4.370 1.00 0.00 C ATOM 209 O VAL A 14 -3.413 5.370 3.172 1.00 0.00 O ATOM 210 CB VAL A 14 -1.960 3.543 5.477 1.00 0.00 C ATOM 211 CG1 VAL A 14 -2.180 2.595 4.299 1.00 0.00 C ATOM 212 CG2 VAL A 14 -0.657 3.174 6.192 1.00 0.00 C ATOM 0 H VAL A 14 -1.697 5.480 7.032 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.094 5.048 4.209 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.793 3.456 6.175 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.240 1.569 4.663 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.109 2.855 3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.348 2.684 3.600 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.719 2.148 6.555 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.177 3.263 5.496 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.501 3.848 7.034 1.00 0.00 H new ATOM 222 N ALA A 15 -4.129 5.783 5.205 1.00 0.00 N ATOM 223 CA ALA A 15 -5.456 6.215 4.709 1.00 0.00 C ATOM 224 C ALA A 15 -5.275 7.456 3.834 1.00 0.00 C ATOM 225 O ALA A 15 -5.930 7.624 2.825 1.00 0.00 O ATOM 226 CB ALA A 15 -6.336 6.551 5.906 1.00 0.00 C ATOM 0 H ALA A 15 -4.013 5.820 6.218 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.923 5.424 4.123 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.318 6.871 5.557 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.445 5.669 6.537 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.876 7.354 6.482 1.00 0.00 H new ATOM 232 N MET A 16 -4.372 8.321 4.212 1.00 0.00 N ATOM 233 CA MET A 16 -4.121 9.544 3.403 1.00 0.00 C ATOM 234 C MET A 16 -3.329 9.135 2.166 1.00 0.00 C ATOM 235 O MET A 16 -3.521 9.655 1.085 1.00 0.00 O ATOM 236 CB MET A 16 -3.304 10.542 4.229 1.00 0.00 C ATOM 237 CG MET A 16 -4.203 11.218 5.271 1.00 0.00 C ATOM 238 SD MET A 16 -3.179 12.145 6.440 1.00 0.00 S ATOM 239 CE MET A 16 -4.522 12.739 7.497 1.00 0.00 C ATOM 0 H MET A 16 -3.797 8.231 5.049 1.00 0.00 H new ATOM 0 HA MET A 16 -5.062 10.011 3.114 1.00 0.00 H new ATOM 0 HB2 MET A 16 -2.481 10.028 4.725 1.00 0.00 H new ATOM 0 HB3 MET A 16 -2.863 11.294 3.574 1.00 0.00 H new ATOM 0 HG2 MET A 16 -4.909 11.887 4.779 1.00 0.00 H new ATOM 0 HG3 MET A 16 -4.791 10.469 5.801 1.00 0.00 H new ATOM 0 HE1 MET A 16 -4.109 13.346 8.303 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.212 13.341 6.905 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.055 11.888 7.921 1.00 0.00 H new ATOM 249 N ALA A 17 -2.447 8.190 2.323 1.00 0.00 N ATOM 250 CA ALA A 17 -1.645 7.722 1.164 1.00 0.00 C ATOM 251 C ALA A 17 -2.582 6.991 0.211 1.00 0.00 C ATOM 252 O ALA A 17 -2.454 7.066 -0.993 1.00 0.00 O ATOM 253 CB ALA A 17 -0.553 6.769 1.651 1.00 0.00 C ATOM 0 H ALA A 17 -2.247 7.721 3.207 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.174 8.564 0.658 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.036 6.425 0.801 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.096 7.289 2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.011 5.912 2.145 1.00 0.00 H new ATOM 259 N PHE A 18 -3.542 6.299 0.756 1.00 0.00 N ATOM 260 CA PHE A 18 -4.522 5.569 -0.094 1.00 0.00 C ATOM 261 C PHE A 18 -5.147 6.563 -1.085 1.00 0.00 C ATOM 262 O PHE A 18 -5.689 6.184 -2.104 1.00 0.00 O ATOM 263 CB PHE A 18 -5.614 4.975 0.822 1.00 0.00 C ATOM 264 CG PHE A 18 -5.364 3.501 1.101 1.00 0.00 C ATOM 265 CD1 PHE A 18 -4.063 3.036 1.341 1.00 0.00 C ATOM 266 CD2 PHE A 18 -6.441 2.602 1.131 1.00 0.00 C ATOM 267 CE1 PHE A 18 -3.842 1.678 1.605 1.00 0.00 C ATOM 268 CE2 PHE A 18 -6.218 1.247 1.397 1.00 0.00 C ATOM 269 CZ PHE A 18 -4.919 0.785 1.633 1.00 0.00 C ATOM 0 H PHE A 18 -3.691 6.207 1.761 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.036 4.766 -0.648 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.641 5.525 1.763 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.590 5.097 0.353 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.231 3.725 1.322 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.444 2.957 0.948 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.839 1.320 1.787 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.049 0.557 1.420 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.747 -0.262 1.837 1.00 0.00 H new ATOM 279 N GLN A 19 -5.076 7.835 -0.784 1.00 0.00 N ATOM 280 CA GLN A 19 -5.664 8.864 -1.693 1.00 0.00 C ATOM 281 C GLN A 19 -4.624 9.293 -2.732 1.00 0.00 C ATOM 282 O GLN A 19 -4.709 10.368 -3.292 1.00 0.00 O ATOM 283 CB GLN A 19 -6.088 10.082 -0.870 1.00 0.00 C ATOM 284 CG GLN A 19 -7.091 9.651 0.202 1.00 0.00 C ATOM 285 CD GLN A 19 -7.616 10.886 0.937 1.00 0.00 C ATOM 286 OE1 GLN A 19 -8.200 11.764 0.334 1.00 0.00 O ATOM 287 NE2 GLN A 19 -7.431 10.991 2.224 1.00 0.00 N ATOM 0 H GLN A 19 -4.634 8.206 0.057 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.530 8.442 -2.203 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -5.216 10.540 -0.404 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.535 10.835 -1.519 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.918 9.109 -0.256 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.615 8.970 0.908 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.941 10.254 2.731 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.777 11.810 2.724 1.00 0.00 H new ATOM 296 N ASN A 20 -3.651 8.454 -3.002 1.00 0.00 N ATOM 297 CA ASN A 20 -2.603 8.790 -4.015 1.00 0.00 C ATOM 298 C ASN A 20 -2.805 7.866 -5.221 1.00 0.00 C ATOM 299 O ASN A 20 -3.231 6.740 -5.065 1.00 0.00 O ATOM 300 CB ASN A 20 -1.215 8.552 -3.408 1.00 0.00 C ATOM 301 CG ASN A 20 -0.925 9.622 -2.353 1.00 0.00 C ATOM 302 OD1 ASN A 20 -1.827 9.892 -1.449 1.00 0.00 O flip ATOM 303 ND2 ASN A 20 0.134 10.219 -2.351 1.00 0.00 N flip ATOM 0 H ASN A 20 -3.539 7.542 -2.558 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.680 9.834 -4.319 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.169 7.561 -2.957 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.455 8.582 -4.189 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.839 10.009 -3.057 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.317 10.930 -1.643 1.00 0.00 H new ATOM 310 N PRO A 21 -2.524 8.321 -6.417 1.00 0.00 N ATOM 311 CA PRO A 21 -2.714 7.485 -7.636 1.00 0.00 C ATOM 312 C PRO A 21 -1.710 6.326 -7.709 1.00 0.00 C ATOM 313 O PRO A 21 -2.068 5.201 -7.995 1.00 0.00 O ATOM 314 CB PRO A 21 -2.511 8.477 -8.793 1.00 0.00 C ATOM 315 CG PRO A 21 -1.611 9.531 -8.229 1.00 0.00 C ATOM 316 CD PRO A 21 -1.998 9.659 -6.751 1.00 0.00 C ATOM 0 HA PRO A 21 -3.691 7.002 -7.655 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.060 7.991 -9.658 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.459 8.900 -9.124 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.563 9.250 -8.337 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -1.742 10.479 -8.752 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.139 9.919 -6.132 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.748 10.435 -6.598 1.00 0.00 H new ATOM 324 N ARG A 22 -0.458 6.592 -7.455 1.00 0.00 N ATOM 325 CA ARG A 22 0.556 5.502 -7.512 1.00 0.00 C ATOM 326 C ARG A 22 0.209 4.434 -6.472 1.00 0.00 C ATOM 327 O ARG A 22 0.445 3.260 -6.669 1.00 0.00 O ATOM 328 CB ARG A 22 1.948 6.075 -7.216 1.00 0.00 C ATOM 329 CG ARG A 22 2.191 7.333 -8.061 1.00 0.00 C ATOM 330 CD ARG A 22 2.052 7.005 -9.555 1.00 0.00 C ATOM 331 NE ARG A 22 2.717 8.072 -10.357 1.00 0.00 N ATOM 332 CZ ARG A 22 2.609 8.079 -11.659 1.00 0.00 C ATOM 333 NH1 ARG A 22 1.918 7.151 -12.265 1.00 0.00 N ATOM 334 NH2 ARG A 22 3.193 9.015 -12.356 1.00 0.00 N ATOM 0 H ARG A 22 -0.095 7.513 -7.211 1.00 0.00 H new ATOM 0 HA ARG A 22 0.556 5.057 -8.507 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.032 6.317 -6.157 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.711 5.328 -7.434 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.478 8.109 -7.784 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.187 7.728 -7.859 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.504 6.037 -9.770 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.999 6.932 -9.827 1.00 0.00 H new ATOM 0 HE ARG A 22 3.258 8.798 -9.888 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.461 6.419 -11.722 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.835 7.159 -13.282 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.733 9.740 -11.884 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.109 9.021 -13.373 1.00 0.00 H new ATOM 348 N VAL A 23 -0.352 4.837 -5.364 1.00 0.00 N ATOM 349 CA VAL A 23 -0.721 3.853 -4.304 1.00 0.00 C ATOM 350 C VAL A 23 -1.972 3.087 -4.735 1.00 0.00 C ATOM 351 O VAL A 23 -1.987 1.872 -4.757 1.00 0.00 O ATOM 352 CB VAL A 23 -0.989 4.595 -2.994 1.00 0.00 C ATOM 353 CG1 VAL A 23 -1.345 3.591 -1.892 1.00 0.00 C ATOM 354 CG2 VAL A 23 0.271 5.364 -2.595 1.00 0.00 C ATOM 0 H VAL A 23 -0.572 5.809 -5.146 1.00 0.00 H new ATOM 0 HA VAL A 23 0.097 3.148 -4.156 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.821 5.286 -3.128 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.535 4.125 -0.961 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.237 3.036 -2.180 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.516 2.898 -1.750 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.091 5.897 -1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.097 4.665 -2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.524 6.079 -3.378 1.00 0.00 H new ATOM 364 N GLN A 24 -3.020 3.783 -5.092 1.00 0.00 N ATOM 365 CA GLN A 24 -4.257 3.079 -5.537 1.00 0.00 C ATOM 366 C GLN A 24 -3.892 2.166 -6.705 1.00 0.00 C ATOM 367 O GLN A 24 -4.420 1.082 -6.857 1.00 0.00 O ATOM 368 CB GLN A 24 -5.302 4.104 -5.988 1.00 0.00 C ATOM 369 CG GLN A 24 -5.814 4.884 -4.774 1.00 0.00 C ATOM 370 CD GLN A 24 -6.735 6.013 -5.242 1.00 0.00 C ATOM 371 OE1 GLN A 24 -6.272 7.064 -5.640 1.00 0.00 O ATOM 372 NE2 GLN A 24 -8.028 5.840 -5.210 1.00 0.00 N ATOM 0 H GLN A 24 -3.072 4.802 -5.095 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.673 2.494 -4.717 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.865 4.789 -6.715 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.131 3.599 -6.484 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.352 4.217 -4.101 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.975 5.294 -4.212 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.416 4.958 -4.876 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.650 6.587 -5.519 1.00 0.00 H new ATOM 381 N ALA A 25 -2.970 2.599 -7.519 1.00 0.00 N ATOM 382 CA ALA A 25 -2.529 1.771 -8.672 1.00 0.00 C ATOM 383 C ALA A 25 -1.648 0.642 -8.151 1.00 0.00 C ATOM 384 O ALA A 25 -1.626 -0.445 -8.691 1.00 0.00 O ATOM 385 CB ALA A 25 -1.728 2.644 -9.639 1.00 0.00 C ATOM 0 H ALA A 25 -2.500 3.500 -7.432 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.392 1.356 -9.192 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.402 2.042 -10.487 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.354 3.462 -9.994 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.857 3.050 -9.126 1.00 0.00 H new ATOM 391 N ALA A 26 -0.928 0.891 -7.093 1.00 0.00 N ATOM 392 CA ALA A 26 -0.059 -0.171 -6.526 1.00 0.00 C ATOM 393 C ALA A 26 -0.953 -1.284 -5.975 1.00 0.00 C ATOM 394 O ALA A 26 -0.782 -2.446 -6.281 1.00 0.00 O ATOM 395 CB ALA A 26 0.800 0.414 -5.400 1.00 0.00 C ATOM 0 H ALA A 26 -0.905 1.783 -6.599 1.00 0.00 H new ATOM 0 HA ALA A 26 0.600 -0.571 -7.297 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.437 -0.367 -4.985 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.422 1.217 -5.796 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.153 0.809 -4.617 1.00 0.00 H new ATOM 401 N LEU A 27 -1.921 -0.931 -5.173 1.00 0.00 N ATOM 402 CA LEU A 27 -2.840 -1.960 -4.608 1.00 0.00 C ATOM 403 C LEU A 27 -3.634 -2.600 -5.746 1.00 0.00 C ATOM 404 O LEU A 27 -3.780 -3.804 -5.812 1.00 0.00 O ATOM 405 CB LEU A 27 -3.811 -1.300 -3.622 1.00 0.00 C ATOM 406 CG LEU A 27 -3.032 -0.513 -2.552 1.00 0.00 C ATOM 407 CD1 LEU A 27 -4.000 0.391 -1.783 1.00 0.00 C ATOM 408 CD2 LEU A 27 -2.350 -1.479 -1.567 1.00 0.00 C ATOM 0 H LEU A 27 -2.115 0.028 -4.884 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.259 -2.721 -4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.485 -0.631 -4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.429 -2.061 -3.146 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.268 0.090 -3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.451 0.950 -1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.474 1.087 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.764 -0.220 -1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.803 -0.908 -0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.106 -2.092 -1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.657 -2.122 -2.109 1.00 0.00 H new ATOM 420 N MET A 28 -4.141 -1.807 -6.651 1.00 0.00 N ATOM 421 CA MET A 28 -4.912 -2.380 -7.788 1.00 0.00 C ATOM 422 C MET A 28 -4.013 -3.363 -8.534 1.00 0.00 C ATOM 423 O MET A 28 -4.414 -4.457 -8.878 1.00 0.00 O ATOM 424 CB MET A 28 -5.344 -1.257 -8.735 1.00 0.00 C ATOM 425 CG MET A 28 -6.221 -1.833 -9.849 1.00 0.00 C ATOM 426 SD MET A 28 -6.900 -0.479 -10.845 1.00 0.00 S ATOM 427 CE MET A 28 -5.506 -0.299 -11.987 1.00 0.00 C ATOM 0 H MET A 28 -4.054 -0.791 -6.651 1.00 0.00 H new ATOM 0 HA MET A 28 -5.801 -2.891 -7.418 1.00 0.00 H new ATOM 0 HB2 MET A 28 -5.894 -0.494 -8.184 1.00 0.00 H new ATOM 0 HB3 MET A 28 -4.467 -0.771 -9.163 1.00 0.00 H new ATOM 0 HG2 MET A 28 -5.635 -2.503 -10.478 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.030 -2.425 -9.420 1.00 0.00 H new ATOM 0 HE1 MET A 28 -5.720 0.498 -12.699 1.00 0.00 H new ATOM 0 HE2 MET A 28 -4.605 -0.052 -11.425 1.00 0.00 H new ATOM 0 HE3 MET A 28 -5.353 -1.235 -12.524 1.00 0.00 H new ATOM 437 N GLU A 29 -2.788 -2.980 -8.770 1.00 0.00 N ATOM 438 CA GLU A 29 -1.842 -3.885 -9.475 1.00 0.00 C ATOM 439 C GLU A 29 -1.415 -5.001 -8.518 1.00 0.00 C ATOM 440 O GLU A 29 -1.091 -6.096 -8.932 1.00 0.00 O ATOM 441 CB GLU A 29 -0.613 -3.088 -9.923 1.00 0.00 C ATOM 442 CG GLU A 29 0.287 -3.969 -10.796 1.00 0.00 C ATOM 443 CD GLU A 29 1.398 -3.116 -11.413 1.00 0.00 C ATOM 444 OE1 GLU A 29 1.090 -2.315 -12.280 1.00 0.00 O ATOM 445 OE2 GLU A 29 2.537 -3.279 -11.008 1.00 0.00 O ATOM 0 H GLU A 29 -2.402 -2.075 -8.503 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.325 -4.319 -10.350 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.924 -2.205 -10.481 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.059 -2.736 -9.053 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.720 -4.770 -10.197 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.302 -4.441 -11.582 1.00 0.00 H new ATOM 452 N CYS A 30 -1.415 -4.732 -7.237 1.00 0.00 N ATOM 453 CA CYS A 30 -1.011 -5.789 -6.259 1.00 0.00 C ATOM 454 C CYS A 30 -1.931 -7.001 -6.410 1.00 0.00 C ATOM 455 O CYS A 30 -1.511 -8.132 -6.271 1.00 0.00 O ATOM 456 CB CYS A 30 -1.118 -5.239 -4.835 1.00 0.00 C ATOM 457 SG CYS A 30 -0.394 -6.424 -3.675 1.00 0.00 S ATOM 0 H CYS A 30 -1.675 -3.834 -6.828 1.00 0.00 H new ATOM 0 HA CYS A 30 0.019 -6.088 -6.454 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.601 -4.282 -4.764 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.162 -5.057 -4.581 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.502 -7.626 -4.158 1.00 0.00 H new ATOM 463 N SER A 31 -3.185 -6.774 -6.692 1.00 0.00 N ATOM 464 CA SER A 31 -4.134 -7.905 -6.849 1.00 0.00 C ATOM 465 C SER A 31 -3.564 -8.930 -7.835 1.00 0.00 C ATOM 466 O SER A 31 -3.873 -10.103 -7.773 1.00 0.00 O ATOM 467 CB SER A 31 -5.469 -7.380 -7.377 1.00 0.00 C ATOM 468 OG SER A 31 -5.965 -6.385 -6.491 1.00 0.00 O ATOM 0 H SER A 31 -3.592 -5.848 -6.820 1.00 0.00 H new ATOM 0 HA SER A 31 -4.285 -8.383 -5.881 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.340 -6.963 -8.376 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.186 -8.197 -7.463 1.00 0.00 H new ATOM 0 HG SER A 31 -6.820 -6.045 -6.827 1.00 0.00 H new ATOM 474 N GLU A 32 -2.736 -8.494 -8.746 1.00 0.00 N ATOM 475 CA GLU A 32 -2.151 -9.441 -9.738 1.00 0.00 C ATOM 476 C GLU A 32 -1.127 -10.346 -9.047 1.00 0.00 C ATOM 477 O GLU A 32 -1.226 -11.555 -9.097 1.00 0.00 O ATOM 478 CB GLU A 32 -1.459 -8.649 -10.849 1.00 0.00 C ATOM 479 CG GLU A 32 -2.502 -7.849 -11.632 1.00 0.00 C ATOM 480 CD GLU A 32 -1.826 -7.138 -12.805 1.00 0.00 C ATOM 481 OE1 GLU A 32 -0.722 -6.652 -12.622 1.00 0.00 O ATOM 482 OE2 GLU A 32 -2.424 -7.092 -13.868 1.00 0.00 O ATOM 0 H GLU A 32 -2.440 -7.523 -8.846 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.946 -10.054 -10.164 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.715 -7.976 -10.422 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.929 -9.327 -11.517 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.285 -8.513 -11.998 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.982 -7.120 -10.979 1.00 0.00 H new ATOM 489 N ASN A 33 -0.144 -9.772 -8.400 1.00 0.00 N ATOM 490 CA ASN A 33 0.888 -10.603 -7.703 1.00 0.00 C ATOM 491 C ASN A 33 2.017 -9.681 -7.199 1.00 0.00 C ATOM 492 O ASN A 33 2.148 -8.561 -7.651 1.00 0.00 O ATOM 493 CB ASN A 33 1.464 -11.656 -8.690 1.00 0.00 C ATOM 494 CG ASN A 33 0.916 -13.058 -8.377 1.00 0.00 C ATOM 495 OD1 ASN A 33 -0.122 -13.200 -7.761 1.00 0.00 O ATOM 496 ND2 ASN A 33 1.580 -14.106 -8.781 1.00 0.00 N ATOM 0 H ASN A 33 -0.010 -8.764 -8.324 1.00 0.00 H new ATOM 0 HA ASN A 33 0.436 -11.122 -6.858 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.207 -11.381 -9.713 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.552 -11.664 -8.626 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.228 -15.042 -8.580 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.451 -13.989 -9.298 1.00 0.00 H new ATOM 503 N PRO A 34 2.834 -10.150 -6.278 1.00 0.00 N ATOM 504 CA PRO A 34 3.972 -9.348 -5.728 1.00 0.00 C ATOM 505 C PRO A 34 4.789 -8.648 -6.826 1.00 0.00 C ATOM 506 O PRO A 34 5.636 -7.822 -6.547 1.00 0.00 O ATOM 507 CB PRO A 34 4.830 -10.397 -5.005 1.00 0.00 C ATOM 508 CG PRO A 34 3.858 -11.444 -4.567 1.00 0.00 C ATOM 509 CD PRO A 34 2.766 -11.488 -5.646 1.00 0.00 C ATOM 0 HA PRO A 34 3.624 -8.542 -5.083 1.00 0.00 H new ATOM 0 HB2 PRO A 34 5.589 -10.813 -5.668 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.354 -9.962 -4.154 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.347 -12.413 -4.468 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.434 -11.200 -3.593 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.952 -12.281 -6.370 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.784 -11.675 -5.213 1.00 0.00 H new ATOM 517 N MET A 35 4.544 -8.971 -8.067 1.00 0.00 N ATOM 518 CA MET A 35 5.310 -8.323 -9.168 1.00 0.00 C ATOM 519 C MET A 35 5.003 -6.831 -9.154 1.00 0.00 C ATOM 520 O MET A 35 5.604 -6.046 -9.859 1.00 0.00 O ATOM 521 CB MET A 35 4.905 -8.931 -10.517 1.00 0.00 C ATOM 522 CG MET A 35 3.413 -8.696 -10.775 1.00 0.00 C ATOM 523 SD MET A 35 2.893 -9.673 -12.211 1.00 0.00 S ATOM 524 CE MET A 35 1.581 -8.571 -12.795 1.00 0.00 C ATOM 0 H MET A 35 3.848 -9.654 -8.365 1.00 0.00 H new ATOM 0 HA MET A 35 6.378 -8.485 -9.025 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.495 -8.485 -11.317 1.00 0.00 H new ATOM 0 HB3 MET A 35 5.119 -10.000 -10.522 1.00 0.00 H new ATOM 0 HG2 MET A 35 2.831 -8.979 -9.898 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.225 -7.637 -10.954 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.730 -9.164 -13.130 1.00 0.00 H new ATOM 0 HE2 MET A 35 1.269 -7.915 -11.983 1.00 0.00 H new ATOM 0 HE3 MET A 35 1.953 -7.970 -13.624 1.00 0.00 H new ATOM 534 N ASN A 36 4.064 -6.442 -8.343 1.00 0.00 N ATOM 535 CA ASN A 36 3.695 -5.009 -8.252 1.00 0.00 C ATOM 536 C ASN A 36 4.918 -4.204 -7.828 1.00 0.00 C ATOM 537 O ASN A 36 5.422 -3.372 -8.556 1.00 0.00 O ATOM 538 CB ASN A 36 2.582 -4.861 -7.194 1.00 0.00 C ATOM 539 CG ASN A 36 2.590 -3.467 -6.549 1.00 0.00 C ATOM 540 OD1 ASN A 36 3.509 -3.114 -5.838 1.00 0.00 O ATOM 541 ND2 ASN A 36 1.589 -2.666 -6.755 1.00 0.00 N ATOM 0 H ASN A 36 3.532 -7.063 -7.734 1.00 0.00 H new ATOM 0 HA ASN A 36 3.343 -4.643 -9.216 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.613 -5.041 -7.659 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.711 -5.620 -6.422 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.576 -1.743 -6.320 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.815 -2.959 -7.352 1.00 0.00 H new ATOM 548 N ILE A 37 5.373 -4.440 -6.638 1.00 0.00 N ATOM 549 CA ILE A 37 6.534 -3.686 -6.114 1.00 0.00 C ATOM 550 C ILE A 37 7.737 -3.870 -7.040 1.00 0.00 C ATOM 551 O ILE A 37 8.531 -2.971 -7.225 1.00 0.00 O ATOM 552 CB ILE A 37 6.833 -4.187 -4.684 1.00 0.00 C ATOM 553 CG1 ILE A 37 7.604 -3.113 -3.895 1.00 0.00 C ATOM 554 CG2 ILE A 37 7.648 -5.490 -4.724 1.00 0.00 C ATOM 555 CD1 ILE A 37 6.740 -1.850 -3.712 1.00 0.00 C ATOM 0 H ILE A 37 4.985 -5.132 -5.997 1.00 0.00 H new ATOM 0 HA ILE A 37 6.315 -2.619 -6.076 1.00 0.00 H new ATOM 0 HB ILE A 37 5.884 -4.385 -4.186 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.893 -3.507 -2.921 1.00 0.00 H new ATOM 0 HG13 ILE A 37 8.524 -2.858 -4.421 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.848 -5.826 -3.706 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.083 -6.256 -5.255 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.592 -5.313 -5.240 1.00 0.00 H new ATOM 0 HD11 ILE A 37 7.302 -1.103 -3.152 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.473 -1.447 -4.689 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.832 -2.106 -3.165 1.00 0.00 H new ATOM 567 N MET A 38 7.871 -5.020 -7.634 1.00 0.00 N ATOM 568 CA MET A 38 9.018 -5.253 -8.554 1.00 0.00 C ATOM 569 C MET A 38 9.034 -4.175 -9.646 1.00 0.00 C ATOM 570 O MET A 38 9.947 -4.108 -10.444 1.00 0.00 O ATOM 571 CB MET A 38 8.872 -6.635 -9.196 1.00 0.00 C ATOM 572 CG MET A 38 9.069 -7.726 -8.137 1.00 0.00 C ATOM 573 SD MET A 38 10.813 -7.791 -7.647 1.00 0.00 S ATOM 574 CE MET A 38 11.375 -8.963 -8.907 1.00 0.00 C ATOM 0 H MET A 38 7.236 -5.810 -7.523 1.00 0.00 H new ATOM 0 HA MET A 38 9.952 -5.205 -7.994 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.886 -6.732 -9.651 1.00 0.00 H new ATOM 0 HB3 MET A 38 9.605 -6.754 -9.994 1.00 0.00 H new ATOM 0 HG2 MET A 38 8.444 -7.520 -7.268 1.00 0.00 H new ATOM 0 HG3 MET A 38 8.756 -8.692 -8.533 1.00 0.00 H new ATOM 0 HE1 MET A 38 12.442 -9.146 -8.783 1.00 0.00 H new ATOM 0 HE2 MET A 38 10.831 -9.901 -8.799 1.00 0.00 H new ATOM 0 HE3 MET A 38 11.190 -8.548 -9.898 1.00 0.00 H new ATOM 584 N LYS A 39 8.026 -3.332 -9.682 1.00 0.00 N ATOM 585 CA LYS A 39 7.960 -2.246 -10.716 1.00 0.00 C ATOM 586 C LYS A 39 7.991 -0.877 -10.027 1.00 0.00 C ATOM 587 O LYS A 39 8.679 0.027 -10.459 1.00 0.00 O ATOM 588 CB LYS A 39 6.651 -2.382 -11.505 1.00 0.00 C ATOM 589 CG LYS A 39 6.612 -3.737 -12.254 1.00 0.00 C ATOM 590 CD LYS A 39 7.306 -3.625 -13.633 1.00 0.00 C ATOM 591 CE LYS A 39 6.313 -3.122 -14.690 1.00 0.00 C ATOM 592 NZ LYS A 39 7.007 -3.002 -16.003 1.00 0.00 N ATOM 0 H LYS A 39 7.239 -3.350 -9.033 1.00 0.00 H new ATOM 0 HA LYS A 39 8.812 -2.333 -11.390 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.801 -2.309 -10.827 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.561 -1.562 -12.218 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.105 -4.503 -11.655 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.578 -4.054 -12.387 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.154 -2.943 -13.567 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.701 -4.597 -13.929 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.472 -3.811 -14.772 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.906 -2.156 -14.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.336 -2.661 -16.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.795 -2.329 -15.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.375 -3.932 -16.287 1.00 0.00 H new ATOM 606 N TYR A 40 7.245 -0.710 -8.964 1.00 0.00 N ATOM 607 CA TYR A 40 7.225 0.599 -8.257 1.00 0.00 C ATOM 608 C TYR A 40 8.449 0.712 -7.344 1.00 0.00 C ATOM 609 O TYR A 40 8.560 1.625 -6.551 1.00 0.00 O ATOM 610 CB TYR A 40 5.944 0.693 -7.424 1.00 0.00 C ATOM 611 CG TYR A 40 4.755 0.380 -8.302 1.00 0.00 C ATOM 612 CD1 TYR A 40 4.336 1.318 -9.249 1.00 0.00 C ATOM 613 CD2 TYR A 40 4.081 -0.842 -8.181 1.00 0.00 C ATOM 614 CE1 TYR A 40 3.241 1.041 -10.075 1.00 0.00 C ATOM 615 CE2 TYR A 40 2.987 -1.122 -9.010 1.00 0.00 C ATOM 616 CZ TYR A 40 2.567 -0.180 -9.956 1.00 0.00 C ATOM 617 OH TYR A 40 1.490 -0.455 -10.773 1.00 0.00 O ATOM 0 H TYR A 40 6.648 -1.429 -8.557 1.00 0.00 H new ATOM 0 HA TYR A 40 7.251 1.412 -8.983 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.988 -0.005 -6.588 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.845 1.692 -7.000 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.858 2.259 -9.344 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.404 -1.568 -7.449 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.916 1.769 -10.804 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.468 -2.065 -8.919 1.00 0.00 H new ATOM 0 HH TYR A 40 1.809 -0.839 -11.616 1.00 0.00 H new ATOM 627 N GLN A 41 9.373 -0.205 -7.455 1.00 0.00 N ATOM 628 CA GLN A 41 10.593 -0.140 -6.597 1.00 0.00 C ATOM 629 C GLN A 41 11.297 1.197 -6.847 1.00 0.00 C ATOM 630 O GLN A 41 12.210 1.574 -6.139 1.00 0.00 O ATOM 631 CB GLN A 41 11.533 -1.314 -6.953 1.00 0.00 C ATOM 632 CG GLN A 41 11.432 -2.414 -5.893 1.00 0.00 C ATOM 633 CD GLN A 41 12.346 -3.581 -6.272 1.00 0.00 C ATOM 634 OE1 GLN A 41 13.319 -3.386 -7.120 1.00 0.00 O flip ATOM 635 NE2 GLN A 41 12.174 -4.684 -5.792 1.00 0.00 N flip ATOM 0 H GLN A 41 9.337 -0.994 -8.100 1.00 0.00 H new ATOM 0 HA GLN A 41 10.320 -0.216 -5.544 1.00 0.00 H new ATOM 0 HB2 GLN A 41 11.269 -1.716 -7.931 1.00 0.00 H new ATOM 0 HB3 GLN A 41 12.561 -0.958 -7.021 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.716 -2.019 -4.917 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.401 -2.759 -5.810 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.414 -4.839 -5.129 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.789 -5.455 -6.052 1.00 0.00 H new ATOM 644 N ASN A 42 10.869 1.913 -7.853 1.00 0.00 N ATOM 645 CA ASN A 42 11.486 3.238 -8.175 1.00 0.00 C ATOM 646 C ASN A 42 10.573 4.350 -7.654 1.00 0.00 C ATOM 647 O ASN A 42 11.018 5.430 -7.319 1.00 0.00 O ATOM 648 CB ASN A 42 11.631 3.373 -9.693 1.00 0.00 C ATOM 649 CG ASN A 42 10.276 3.128 -10.359 1.00 0.00 C ATOM 650 OD1 ASN A 42 9.377 3.938 -10.251 1.00 0.00 O ATOM 651 ND2 ASN A 42 10.090 2.036 -11.049 1.00 0.00 N ATOM 0 H ASN A 42 10.109 1.635 -8.474 1.00 0.00 H new ATOM 0 HA ASN A 42 12.467 3.314 -7.707 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.998 4.367 -9.947 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.365 2.658 -10.064 1.00 0.00 H new ATOM 0 HD21 ASN A 42 9.190 1.863 -11.497 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.844 1.356 -11.140 1.00 0.00 H new ATOM 658 N ASP A 43 9.296 4.087 -7.583 1.00 0.00 N ATOM 659 CA ASP A 43 8.340 5.117 -7.084 1.00 0.00 C ATOM 660 C ASP A 43 8.503 5.266 -5.565 1.00 0.00 C ATOM 661 O ASP A 43 7.900 4.548 -4.793 1.00 0.00 O ATOM 662 CB ASP A 43 6.911 4.667 -7.415 1.00 0.00 C ATOM 663 CG ASP A 43 5.945 5.844 -7.251 1.00 0.00 C ATOM 664 OD1 ASP A 43 6.186 6.665 -6.381 1.00 0.00 O ATOM 665 OD2 ASP A 43 4.982 5.904 -7.997 1.00 0.00 O ATOM 0 H ASP A 43 8.872 3.199 -7.850 1.00 0.00 H new ATOM 0 HA ASP A 43 8.539 6.077 -7.560 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.867 4.288 -8.436 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.616 3.849 -6.758 1.00 0.00 H new ATOM 670 N LYS A 44 9.326 6.187 -5.135 1.00 0.00 N ATOM 671 CA LYS A 44 9.556 6.377 -3.677 1.00 0.00 C ATOM 672 C LYS A 44 8.224 6.477 -2.926 1.00 0.00 C ATOM 673 O LYS A 44 8.120 6.084 -1.781 1.00 0.00 O ATOM 674 CB LYS A 44 10.362 7.663 -3.456 1.00 0.00 C ATOM 675 CG LYS A 44 11.791 7.475 -3.987 1.00 0.00 C ATOM 676 CD LYS A 44 12.509 8.830 -4.067 1.00 0.00 C ATOM 677 CE LYS A 44 12.496 9.519 -2.694 1.00 0.00 C ATOM 678 NZ LYS A 44 12.773 8.516 -1.627 1.00 0.00 N ATOM 0 H LYS A 44 9.851 6.819 -5.739 1.00 0.00 H new ATOM 0 HA LYS A 44 10.107 5.518 -3.295 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.881 8.498 -3.966 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.387 7.910 -2.395 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.344 6.800 -3.333 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.762 7.011 -4.973 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.537 8.686 -4.400 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.021 9.466 -4.806 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.245 10.310 -2.666 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.528 9.990 -2.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.145 8.999 -0.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.893 8.019 -1.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.475 7.829 -1.970 1.00 0.00 H new ATOM 692 N GLU A 45 7.208 7.000 -3.551 1.00 0.00 N ATOM 693 CA GLU A 45 5.894 7.120 -2.857 1.00 0.00 C ATOM 694 C GLU A 45 5.362 5.721 -2.527 1.00 0.00 C ATOM 695 O GLU A 45 4.975 5.439 -1.412 1.00 0.00 O ATOM 696 CB GLU A 45 4.902 7.850 -3.772 1.00 0.00 C ATOM 697 CG GLU A 45 3.631 8.214 -2.991 1.00 0.00 C ATOM 698 CD GLU A 45 3.943 9.321 -1.980 1.00 0.00 C ATOM 699 OE1 GLU A 45 4.353 10.387 -2.408 1.00 0.00 O ATOM 700 OE2 GLU A 45 3.765 9.083 -0.797 1.00 0.00 O ATOM 0 H GLU A 45 7.229 7.349 -4.509 1.00 0.00 H new ATOM 0 HA GLU A 45 6.017 7.685 -1.933 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.362 8.753 -4.173 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.647 7.218 -4.622 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.853 8.546 -3.679 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.246 7.335 -2.474 1.00 0.00 H new ATOM 707 N VAL A 46 5.338 4.846 -3.491 1.00 0.00 N ATOM 708 CA VAL A 46 4.827 3.468 -3.244 1.00 0.00 C ATOM 709 C VAL A 46 5.808 2.702 -2.363 1.00 0.00 C ATOM 710 O VAL A 46 5.419 1.899 -1.557 1.00 0.00 O ATOM 711 CB VAL A 46 4.683 2.729 -4.573 1.00 0.00 C ATOM 712 CG1 VAL A 46 4.043 1.357 -4.337 1.00 0.00 C ATOM 713 CG2 VAL A 46 3.804 3.545 -5.524 1.00 0.00 C ATOM 0 H VAL A 46 5.652 5.026 -4.445 1.00 0.00 H new ATOM 0 HA VAL A 46 3.859 3.535 -2.747 1.00 0.00 H new ATOM 0 HB VAL A 46 5.670 2.595 -5.016 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.942 0.834 -5.288 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.673 0.772 -3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.058 1.487 -3.889 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.703 3.015 -6.471 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.819 3.684 -5.079 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.263 4.518 -5.700 1.00 0.00 H new ATOM 723 N MET A 47 7.076 2.935 -2.518 1.00 0.00 N ATOM 724 CA MET A 47 8.069 2.198 -1.682 1.00 0.00 C ATOM 725 C MET A 47 7.840 2.548 -0.221 1.00 0.00 C ATOM 726 O MET A 47 7.764 1.692 0.628 1.00 0.00 O ATOM 727 CB MET A 47 9.490 2.604 -2.079 1.00 0.00 C ATOM 728 CG MET A 47 9.758 2.228 -3.541 1.00 0.00 C ATOM 729 SD MET A 47 11.199 3.148 -4.137 1.00 0.00 S ATOM 730 CE MET A 47 12.406 2.471 -2.969 1.00 0.00 C ATOM 0 H MET A 47 7.472 3.600 -3.183 1.00 0.00 H new ATOM 0 HA MET A 47 7.947 1.126 -1.836 1.00 0.00 H new ATOM 0 HB2 MET A 47 9.621 3.677 -1.942 1.00 0.00 H new ATOM 0 HB3 MET A 47 10.212 2.109 -1.430 1.00 0.00 H new ATOM 0 HG2 MET A 47 9.935 1.156 -3.627 1.00 0.00 H new ATOM 0 HG3 MET A 47 8.886 2.457 -4.154 1.00 0.00 H new ATOM 0 HE1 MET A 47 13.413 2.633 -3.352 1.00 0.00 H new ATOM 0 HE2 MET A 47 12.300 2.970 -2.006 1.00 0.00 H new ATOM 0 HE3 MET A 47 12.232 1.402 -2.845 1.00 0.00 H new ATOM 740 N ASP A 48 7.729 3.805 0.074 1.00 0.00 N ATOM 741 CA ASP A 48 7.503 4.224 1.480 1.00 0.00 C ATOM 742 C ASP A 48 6.182 3.636 1.986 1.00 0.00 C ATOM 743 O ASP A 48 6.034 3.312 3.149 1.00 0.00 O ATOM 744 CB ASP A 48 7.435 5.758 1.518 1.00 0.00 C ATOM 745 CG ASP A 48 8.851 6.345 1.482 1.00 0.00 C ATOM 746 OD1 ASP A 48 9.666 5.922 2.285 1.00 0.00 O ATOM 747 OD2 ASP A 48 9.093 7.206 0.653 1.00 0.00 O ATOM 0 H ASP A 48 7.785 4.567 -0.601 1.00 0.00 H new ATOM 0 HA ASP A 48 8.313 3.867 2.116 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.858 6.126 0.670 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.919 6.085 2.421 1.00 0.00 H new ATOM 752 N VAL A 49 5.219 3.512 1.121 1.00 0.00 N ATOM 753 CA VAL A 49 3.893 2.974 1.534 1.00 0.00 C ATOM 754 C VAL A 49 3.946 1.452 1.663 1.00 0.00 C ATOM 755 O VAL A 49 3.599 0.893 2.680 1.00 0.00 O ATOM 756 CB VAL A 49 2.879 3.372 0.458 1.00 0.00 C ATOM 757 CG1 VAL A 49 1.530 2.683 0.709 1.00 0.00 C ATOM 758 CG2 VAL A 49 2.705 4.898 0.480 1.00 0.00 C ATOM 0 H VAL A 49 5.293 3.762 0.135 1.00 0.00 H new ATOM 0 HA VAL A 49 3.608 3.380 2.505 1.00 0.00 H new ATOM 0 HB VAL A 49 3.245 3.056 -0.519 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.821 2.977 -0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.664 1.602 0.686 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.146 2.980 1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.985 5.193 -0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.344 5.209 1.460 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.663 5.376 0.278 1.00 0.00 H new ATOM 768 N PHE A 50 4.357 0.786 0.631 1.00 0.00 N ATOM 769 CA PHE A 50 4.414 -0.698 0.665 1.00 0.00 C ATOM 770 C PHE A 50 5.477 -1.141 1.673 1.00 0.00 C ATOM 771 O PHE A 50 5.392 -2.206 2.256 1.00 0.00 O ATOM 772 CB PHE A 50 4.722 -1.225 -0.758 1.00 0.00 C ATOM 773 CG PHE A 50 3.470 -1.859 -1.326 1.00 0.00 C ATOM 774 CD1 PHE A 50 2.482 -1.048 -1.894 1.00 0.00 C ATOM 775 CD2 PHE A 50 3.286 -3.245 -1.257 1.00 0.00 C ATOM 776 CE1 PHE A 50 1.310 -1.620 -2.396 1.00 0.00 C ATOM 777 CE2 PHE A 50 2.115 -3.818 -1.762 1.00 0.00 C ATOM 778 CZ PHE A 50 1.126 -3.007 -2.330 1.00 0.00 C ATOM 0 H PHE A 50 4.660 1.208 -0.247 1.00 0.00 H new ATOM 0 HA PHE A 50 3.457 -1.111 0.982 1.00 0.00 H new ATOM 0 HB2 PHE A 50 5.055 -0.409 -1.399 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.532 -1.954 -0.723 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.625 0.021 -1.945 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.047 -3.870 -0.815 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.547 -0.994 -2.834 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.974 -4.888 -1.714 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.221 -3.451 -2.718 1.00 0.00 H new ATOM 788 N ASN A 51 6.463 -0.322 1.903 1.00 0.00 N ATOM 789 CA ASN A 51 7.517 -0.686 2.890 1.00 0.00 C ATOM 790 C ASN A 51 6.983 -0.414 4.290 1.00 0.00 C ATOM 791 O ASN A 51 7.372 -1.048 5.248 1.00 0.00 O ATOM 792 CB ASN A 51 8.773 0.155 2.652 1.00 0.00 C ATOM 793 CG ASN A 51 9.871 -0.285 3.623 1.00 0.00 C ATOM 794 OD1 ASN A 51 10.273 -1.432 3.625 1.00 0.00 O ATOM 795 ND2 ASN A 51 10.375 0.584 4.456 1.00 0.00 N ATOM 0 H ASN A 51 6.585 0.584 1.451 1.00 0.00 H new ATOM 0 HA ASN A 51 7.774 -1.740 2.781 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.113 0.037 1.623 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.549 1.212 2.794 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.106 0.301 5.108 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.038 1.547 4.455 1.00 0.00 H new ATOM 802 N LYS A 52 6.074 0.519 4.417 1.00 0.00 N ATOM 803 CA LYS A 52 5.502 0.813 5.759 1.00 0.00 C ATOM 804 C LYS A 52 4.437 -0.235 6.049 1.00 0.00 C ATOM 805 O LYS A 52 4.362 -0.806 7.117 1.00 0.00 O ATOM 806 CB LYS A 52 4.879 2.214 5.758 1.00 0.00 C ATOM 807 CG LYS A 52 4.084 2.435 7.056 1.00 0.00 C ATOM 808 CD LYS A 52 3.817 3.934 7.268 1.00 0.00 C ATOM 809 CE LYS A 52 3.151 4.539 6.023 1.00 0.00 C ATOM 810 NZ LYS A 52 4.184 4.779 4.975 1.00 0.00 N ATOM 0 H LYS A 52 5.707 1.085 3.652 1.00 0.00 H new ATOM 0 HA LYS A 52 6.278 0.783 6.524 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.660 2.969 5.667 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.223 2.329 4.895 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.139 1.893 7.009 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.639 2.034 7.904 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.175 4.076 8.137 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.754 4.451 7.475 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.383 3.865 5.644 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.655 5.475 6.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.013 5.700 4.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.128 4.777 5.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.132 4.028 4.258 1.00 0.00 H new ATOM 824 N ILE A 53 3.620 -0.485 5.075 1.00 0.00 N ATOM 825 CA ILE A 53 2.536 -1.490 5.210 1.00 0.00 C ATOM 826 C ILE A 53 3.130 -2.811 5.716 1.00 0.00 C ATOM 827 O ILE A 53 2.577 -3.461 6.577 1.00 0.00 O ATOM 828 CB ILE A 53 1.887 -1.660 3.806 1.00 0.00 C ATOM 829 CG1 ILE A 53 0.531 -0.940 3.754 1.00 0.00 C ATOM 830 CG2 ILE A 53 1.682 -3.138 3.433 1.00 0.00 C ATOM 831 CD1 ILE A 53 0.693 0.563 4.035 1.00 0.00 C ATOM 0 H ILE A 53 3.658 -0.024 4.166 1.00 0.00 H new ATOM 0 HA ILE A 53 1.779 -1.173 5.927 1.00 0.00 H new ATOM 0 HB ILE A 53 2.576 -1.219 3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.077 -1.083 2.774 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.146 -1.379 4.486 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.226 -3.204 2.445 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.645 -3.648 3.423 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.029 -3.611 4.166 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.282 1.048 3.992 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.125 0.703 5.026 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.351 1.004 3.287 1.00 0.00 H new ATOM 843 N SER A 54 4.239 -3.220 5.167 1.00 0.00 N ATOM 844 CA SER A 54 4.850 -4.515 5.593 1.00 0.00 C ATOM 845 C SER A 54 5.611 -4.351 6.912 1.00 0.00 C ATOM 846 O SER A 54 5.636 -5.248 7.732 1.00 0.00 O ATOM 847 CB SER A 54 5.812 -4.997 4.507 1.00 0.00 C ATOM 848 OG SER A 54 6.581 -6.083 5.008 1.00 0.00 O ATOM 0 H SER A 54 4.750 -2.716 4.442 1.00 0.00 H new ATOM 0 HA SER A 54 4.055 -5.245 5.742 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.255 -5.308 3.624 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.468 -4.183 4.199 1.00 0.00 H new ATOM 0 HG SER A 54 7.198 -6.395 4.313 1.00 0.00 H new ATOM 854 N GLN A 55 6.234 -3.226 7.131 1.00 0.00 N ATOM 855 CA GLN A 55 6.988 -3.039 8.405 1.00 0.00 C ATOM 856 C GLN A 55 5.997 -2.989 9.570 1.00 0.00 C ATOM 857 O GLN A 55 6.271 -3.471 10.651 1.00 0.00 O ATOM 858 CB GLN A 55 7.791 -1.728 8.342 1.00 0.00 C ATOM 859 CG GLN A 55 9.056 -1.926 7.491 1.00 0.00 C ATOM 860 CD GLN A 55 10.075 -2.767 8.265 1.00 0.00 C ATOM 861 OE1 GLN A 55 10.375 -2.479 9.407 1.00 0.00 O ATOM 862 NE2 GLN A 55 10.623 -3.800 7.687 1.00 0.00 N ATOM 0 H GLN A 55 6.255 -2.433 6.489 1.00 0.00 H new ATOM 0 HA GLN A 55 7.678 -3.870 8.551 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.176 -0.936 7.915 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.066 -1.411 9.348 1.00 0.00 H new ATOM 0 HG2 GLN A 55 8.801 -2.419 6.553 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.488 -0.959 7.235 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.371 -4.041 6.729 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.304 -4.366 8.193 1.00 0.00 H new ATOM 871 N LEU A 56 4.846 -2.409 9.355 1.00 0.00 N ATOM 872 CA LEU A 56 3.824 -2.321 10.443 1.00 0.00 C ATOM 873 C LEU A 56 2.891 -3.536 10.362 1.00 0.00 C ATOM 874 O LEU A 56 2.322 -3.950 11.352 1.00 0.00 O ATOM 875 CB LEU A 56 3.016 -1.024 10.266 1.00 0.00 C ATOM 876 CG LEU A 56 3.797 0.174 10.835 1.00 0.00 C ATOM 877 CD1 LEU A 56 5.213 0.221 10.241 1.00 0.00 C ATOM 878 CD2 LEU A 56 3.054 1.469 10.490 1.00 0.00 C ATOM 0 H LEU A 56 4.567 -1.990 8.468 1.00 0.00 H new ATOM 0 HA LEU A 56 4.313 -2.313 11.417 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.805 -0.860 9.209 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.055 -1.114 10.773 1.00 0.00 H new ATOM 0 HG LEU A 56 3.875 0.067 11.917 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.752 1.074 10.653 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.743 -0.698 10.490 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.150 0.321 9.157 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.603 2.321 10.891 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.974 1.565 9.407 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.055 1.443 10.926 1.00 0.00 H new