USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 543 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 28 MET CE :methyl -163:sc= -2.49! (180deg=-2.26!) USER MOD Set 1.2: A 71 GLN : amide:sc= -0.273 K(o=-2.8,f=-5.5) USER MOD Set 2.1: A 44 ASN : amide:sc= -5! C(o=-8!,f=-21!) USER MOD Set 2.2: A 56 MET CE :methyl -103:sc= -2.96 (180deg=-4.33!) USER MOD Set 3.1: A 36 SER OG : rot -100:sc= -1.67 USER MOD Set 3.2: A 37 LYS NZ :NH3+ 142:sc= -0.389 (180deg=-4.12!) USER MOD Set 4.1: A 19 LYS NZ :NH3+ -103:sc= -0.194 (180deg=-2.45!) USER MOD Set 4.2: A 21 TYR OH : rot -2:sc= -0.779! USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -152:sc= 2.15 (180deg=0.85) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.45 K(o=-0.45,f=-1.8) USER MOD Single : A 33 TYR OH : rot -41:sc= -0.182 USER MOD Single : A 43 HIS : no HD1:sc= -2.56 K(o=-2.6,f=-3.2) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 141:sc= -0.188 (180deg=-0.813) USER MOD Single : A 59 ASN : amide:sc= -0.217 K(o=-0.22,f=-2.6!) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.00019) USER MOD Single : A 65 THR OG1 : rot 170:sc= -14.9! USER MOD ----------------------------------------------------------------- ATOM 94 N ASP A 7 -3.539 10.605 6.718 1.00 0.00 N ATOM 95 CA ASP A 7 -4.503 10.418 5.628 1.00 0.00 C ATOM 96 C ASP A 7 -4.891 11.763 5.001 1.00 0.00 C ATOM 97 O ASP A 7 -5.319 11.825 3.848 1.00 0.00 O ATOM 98 CB ASP A 7 -5.760 9.712 6.140 1.00 0.00 C ATOM 99 CG ASP A 7 -6.508 8.992 5.036 1.00 0.00 C ATOM 100 OD1 ASP A 7 -5.959 8.013 4.486 1.00 0.00 O ATOM 101 OD2 ASP A 7 -7.644 9.406 4.721 1.00 0.00 O ATOM 0 HA ASP A 7 -4.028 9.800 4.866 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -5.482 8.996 6.914 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.420 10.444 6.605 1.00 0.00 H new ATOM 106 N GLU A 8 -4.735 12.833 5.778 1.00 0.00 N ATOM 107 CA GLU A 8 -5.059 14.183 5.331 1.00 0.00 C ATOM 108 C GLU A 8 -4.368 14.523 4.013 1.00 0.00 C ATOM 109 O GLU A 8 -5.018 14.868 3.029 1.00 0.00 O ATOM 110 CB GLU A 8 -4.618 15.184 6.395 1.00 0.00 C ATOM 111 CG GLU A 8 -5.359 15.037 7.714 1.00 0.00 C ATOM 112 CD GLU A 8 -6.432 16.091 7.901 1.00 0.00 C ATOM 113 OE1 GLU A 8 -6.084 17.290 7.952 1.00 0.00 O ATOM 114 OE2 GLU A 8 -7.620 15.718 7.994 1.00 0.00 O ATOM 0 H GLU A 8 -4.381 12.787 6.733 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.136 14.235 5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.549 15.065 6.573 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.767 16.195 6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.814 14.048 7.762 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.646 15.100 8.536 1.00 0.00 H new ATOM 121 N GLU A 9 -3.046 14.438 4.001 1.00 0.00 N ATOM 122 CA GLU A 9 -2.278 14.751 2.803 1.00 0.00 C ATOM 123 C GLU A 9 -2.731 13.906 1.617 1.00 0.00 C ATOM 124 O GLU A 9 -2.606 14.319 0.465 1.00 0.00 O ATOM 125 CB GLU A 9 -0.786 14.530 3.058 1.00 0.00 C ATOM 126 CG GLU A 9 0.095 14.891 1.873 1.00 0.00 C ATOM 127 CD GLU A 9 0.615 13.671 1.138 1.00 0.00 C ATOM 128 OE1 GLU A 9 1.620 13.088 1.595 1.00 0.00 O ATOM 129 OE2 GLU A 9 0.017 13.299 0.107 1.00 0.00 O ATOM 0 H GLU A 9 -2.483 14.156 4.804 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.452 15.799 2.561 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.482 15.123 3.920 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.621 13.484 3.317 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.472 15.513 1.180 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.938 15.488 2.221 1.00 0.00 H new ATOM 136 N TRP A 10 -3.240 12.712 1.903 1.00 0.00 N ATOM 137 CA TRP A 10 -3.688 11.802 0.851 1.00 0.00 C ATOM 138 C TRP A 10 -5.110 12.087 0.359 1.00 0.00 C ATOM 139 O TRP A 10 -5.462 11.696 -0.752 1.00 0.00 O ATOM 140 CB TRP A 10 -3.596 10.347 1.303 1.00 0.00 C ATOM 141 CG TRP A 10 -3.966 9.382 0.219 1.00 0.00 C ATOM 142 CD1 TRP A 10 -5.222 9.108 -0.235 1.00 0.00 C ATOM 143 CD2 TRP A 10 -3.073 8.570 -0.552 1.00 0.00 C ATOM 144 NE1 TRP A 10 -5.167 8.184 -1.247 1.00 0.00 N ATOM 145 CE2 TRP A 10 -3.859 7.834 -1.457 1.00 0.00 C ATOM 146 CE3 TRP A 10 -1.687 8.396 -0.568 1.00 0.00 C ATOM 147 CZ2 TRP A 10 -3.304 6.937 -2.367 1.00 0.00 C ATOM 148 CZ3 TRP A 10 -1.138 7.505 -1.470 1.00 0.00 C ATOM 149 CH2 TRP A 10 -1.945 6.786 -2.358 1.00 0.00 C ATOM 0 H TRP A 10 -3.353 12.351 2.850 1.00 0.00 H new ATOM 0 HA TRP A 10 -3.012 11.976 0.014 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -2.580 10.138 1.639 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -4.252 10.194 2.160 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -6.129 9.554 0.147 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -5.969 7.817 -1.760 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -1.056 8.948 0.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -3.924 6.381 -3.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -0.068 7.361 -1.490 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -1.485 6.097 -3.051 1.00 0.00 H new ATOM 160 N VAL A 11 -5.936 12.749 1.165 1.00 0.00 N ATOM 161 CA VAL A 11 -7.292 13.022 0.743 1.00 0.00 C ATOM 162 C VAL A 11 -7.263 14.043 -0.352 1.00 0.00 C ATOM 163 O VAL A 11 -8.026 13.966 -1.315 1.00 0.00 O ATOM 164 CB VAL A 11 -8.212 13.507 1.885 1.00 0.00 C ATOM 165 CG1 VAL A 11 -7.612 14.695 2.620 1.00 0.00 C ATOM 166 CG2 VAL A 11 -9.579 13.859 1.325 1.00 0.00 C ATOM 0 H VAL A 11 -5.691 13.096 2.092 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.714 12.080 0.393 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.316 12.698 2.608 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.287 15.009 3.416 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.652 14.410 3.050 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.467 15.519 1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.226 14.201 2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.475 14.651 0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.018 12.978 0.856 1.00 0.00 H new ATOM 176 N GLU A 12 -6.352 14.987 -0.225 1.00 0.00 N ATOM 177 CA GLU A 12 -6.215 15.992 -1.234 1.00 0.00 C ATOM 178 C GLU A 12 -5.981 15.299 -2.573 1.00 0.00 C ATOM 179 O GLU A 12 -6.364 15.788 -3.636 1.00 0.00 O ATOM 180 CB GLU A 12 -5.069 16.949 -0.903 1.00 0.00 C ATOM 181 CG GLU A 12 -5.472 18.415 -0.933 1.00 0.00 C ATOM 182 CD GLU A 12 -4.901 19.199 0.233 1.00 0.00 C ATOM 183 OE1 GLU A 12 -3.664 19.363 0.288 1.00 0.00 O ATOM 184 OE2 GLU A 12 -5.691 19.648 1.089 1.00 0.00 O ATOM 0 H GLU A 12 -5.707 15.071 0.561 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.125 16.590 -1.284 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.680 16.708 0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.257 16.789 -1.613 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.134 18.862 -1.868 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.559 18.490 -0.919 1.00 0.00 H new ATOM 191 N TYR A 13 -5.347 14.134 -2.472 1.00 0.00 N ATOM 192 CA TYR A 13 -5.029 13.291 -3.617 1.00 0.00 C ATOM 193 C TYR A 13 -6.261 12.542 -4.127 1.00 0.00 C ATOM 194 O TYR A 13 -6.445 12.373 -5.332 1.00 0.00 O ATOM 195 CB TYR A 13 -3.938 12.293 -3.227 1.00 0.00 C ATOM 196 CG TYR A 13 -2.565 12.663 -3.742 1.00 0.00 C ATOM 197 CD1 TYR A 13 -2.352 12.908 -5.093 1.00 0.00 C ATOM 198 CD2 TYR A 13 -1.482 12.765 -2.877 1.00 0.00 C ATOM 199 CE1 TYR A 13 -1.099 13.244 -5.567 1.00 0.00 C ATOM 200 CE2 TYR A 13 -0.227 13.101 -3.344 1.00 0.00 C ATOM 201 CZ TYR A 13 -0.039 13.340 -4.690 1.00 0.00 C ATOM 202 OH TYR A 13 1.210 13.674 -5.158 1.00 0.00 O ATOM 0 H TYR A 13 -5.037 13.746 -1.581 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.675 13.934 -4.423 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.900 12.215 -2.140 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.206 11.308 -3.608 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.179 12.835 -5.783 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.624 12.578 -1.823 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.950 13.431 -6.620 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.604 13.176 -2.659 1.00 0.00 H new ATOM 0 HH TYR A 13 1.843 13.700 -4.411 1.00 0.00 H new ATOM 212 N LYS A 14 -7.081 12.069 -3.191 1.00 0.00 N ATOM 213 CA LYS A 14 -8.281 11.302 -3.523 1.00 0.00 C ATOM 214 C LYS A 14 -9.138 12.007 -4.571 1.00 0.00 C ATOM 215 O LYS A 14 -9.832 11.356 -5.351 1.00 0.00 O ATOM 216 CB LYS A 14 -9.118 11.056 -2.265 1.00 0.00 C ATOM 217 CG LYS A 14 -8.401 10.251 -1.192 1.00 0.00 C ATOM 218 CD LYS A 14 -9.171 10.267 0.122 1.00 0.00 C ATOM 219 CE LYS A 14 -8.317 9.768 1.277 1.00 0.00 C ATOM 220 NZ LYS A 14 -9.064 9.772 2.567 1.00 0.00 N ATOM 0 H LYS A 14 -6.935 12.204 -2.191 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.950 10.351 -3.940 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.416 12.017 -1.846 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.033 10.534 -2.546 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.276 9.222 -1.530 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.402 10.659 -1.035 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.512 11.281 0.332 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.061 9.644 0.031 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.971 8.757 1.062 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.430 10.395 1.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.396 9.896 3.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.750 10.554 2.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.568 8.869 2.679 1.00 0.00 H new ATOM 234 N SER A 15 -9.071 13.330 -4.604 1.00 0.00 N ATOM 235 CA SER A 15 -9.815 14.102 -5.570 1.00 0.00 C ATOM 236 C SER A 15 -9.164 13.938 -6.916 1.00 0.00 C ATOM 237 O SER A 15 -9.826 13.797 -7.945 1.00 0.00 O ATOM 238 CB SER A 15 -9.827 15.576 -5.178 1.00 0.00 C ATOM 239 OG SER A 15 -10.166 15.740 -3.812 1.00 0.00 O ATOM 0 H SER A 15 -8.503 13.888 -3.966 1.00 0.00 H new ATOM 0 HA SER A 15 -10.846 13.749 -5.605 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.847 16.013 -5.367 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.542 16.115 -5.800 1.00 0.00 H new ATOM 0 HG SER A 15 -10.165 16.694 -3.587 1.00 0.00 H new ATOM 245 N LYS A 16 -7.840 13.973 -6.886 1.00 0.00 N ATOM 246 CA LYS A 16 -7.057 13.847 -8.085 1.00 0.00 C ATOM 247 C LYS A 16 -6.960 12.397 -8.547 1.00 0.00 C ATOM 248 O LYS A 16 -6.446 12.118 -9.630 1.00 0.00 O ATOM 249 CB LYS A 16 -5.656 14.427 -7.877 1.00 0.00 C ATOM 250 CG LYS A 16 -5.645 15.735 -7.099 1.00 0.00 C ATOM 251 CD LYS A 16 -6.523 16.784 -7.761 1.00 0.00 C ATOM 252 CE LYS A 16 -6.702 18.002 -6.869 1.00 0.00 C ATOM 253 NZ LYS A 16 -6.972 19.235 -7.658 1.00 0.00 N ATOM 0 H LYS A 16 -7.292 14.089 -6.034 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.565 14.414 -8.865 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.044 13.695 -7.349 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.191 14.589 -8.850 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.993 15.557 -6.081 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.623 16.108 -7.026 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.078 17.088 -8.709 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.497 16.353 -7.990 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.526 17.827 -6.177 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.805 18.146 -6.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.088 20.042 -7.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.175 19.417 -8.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.842 19.108 -8.213 1.00 0.00 H new ATOM 267 N PHE A 17 -7.442 11.474 -7.720 1.00 0.00 N ATOM 268 CA PHE A 17 -7.387 10.053 -8.059 1.00 0.00 C ATOM 269 C PHE A 17 -8.780 9.433 -8.169 1.00 0.00 C ATOM 270 O PHE A 17 -8.945 8.368 -8.765 1.00 0.00 O ATOM 271 CB PHE A 17 -6.564 9.296 -7.017 1.00 0.00 C ATOM 272 CG PHE A 17 -5.080 9.412 -7.224 1.00 0.00 C ATOM 273 CD1 PHE A 17 -4.525 9.210 -8.477 1.00 0.00 C ATOM 274 CD2 PHE A 17 -4.242 9.726 -6.165 1.00 0.00 C ATOM 275 CE1 PHE A 17 -3.160 9.318 -8.671 1.00 0.00 C ATOM 276 CE2 PHE A 17 -2.878 9.834 -6.354 1.00 0.00 C ATOM 277 CZ PHE A 17 -2.336 9.630 -7.608 1.00 0.00 C ATOM 0 H PHE A 17 -7.872 11.680 -6.818 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.911 9.970 -9.036 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.815 9.672 -6.025 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -6.845 8.243 -7.039 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.165 8.965 -9.312 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.660 9.888 -5.182 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.739 9.158 -9.653 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.235 10.078 -5.521 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.270 9.714 -7.757 1.00 0.00 H new ATOM 287 N ASP A 18 -9.781 10.092 -7.590 1.00 0.00 N ATOM 288 CA ASP A 18 -11.153 9.588 -7.627 1.00 0.00 C ATOM 289 C ASP A 18 -11.314 8.345 -6.749 1.00 0.00 C ATOM 290 O ASP A 18 -12.361 7.698 -6.760 1.00 0.00 O ATOM 291 CB ASP A 18 -11.567 9.263 -9.065 1.00 0.00 C ATOM 292 CG ASP A 18 -13.073 9.192 -9.230 1.00 0.00 C ATOM 293 OD1 ASP A 18 -13.707 10.261 -9.361 1.00 0.00 O ATOM 294 OD2 ASP A 18 -13.618 8.068 -9.230 1.00 0.00 O ATOM 0 H ASP A 18 -9.669 10.974 -7.091 1.00 0.00 H new ATOM 0 HA ASP A 18 -11.802 10.371 -7.235 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.166 10.022 -9.736 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.126 8.311 -9.361 1.00 0.00 H new ATOM 299 N LYS A 19 -10.274 8.022 -5.982 1.00 0.00 N ATOM 300 CA LYS A 19 -10.302 6.868 -5.090 1.00 0.00 C ATOM 301 C LYS A 19 -10.107 7.328 -3.652 1.00 0.00 C ATOM 302 O LYS A 19 -8.981 7.395 -3.157 1.00 0.00 O ATOM 303 CB LYS A 19 -9.210 5.869 -5.484 1.00 0.00 C ATOM 304 CG LYS A 19 -9.080 4.692 -4.530 1.00 0.00 C ATOM 305 CD LYS A 19 -7.780 3.937 -4.754 1.00 0.00 C ATOM 306 CE LYS A 19 -6.570 4.829 -4.522 1.00 0.00 C ATOM 307 NZ LYS A 19 -5.307 4.044 -4.443 1.00 0.00 N ATOM 0 H LYS A 19 -9.399 8.546 -5.962 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.269 6.372 -5.175 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.420 5.492 -6.485 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.254 6.391 -5.534 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.122 5.049 -3.501 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.924 4.016 -4.667 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.736 3.080 -4.082 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.756 3.546 -5.771 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.495 5.556 -5.330 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.706 5.392 -3.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.014 3.957 -3.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.462 3.096 -4.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.562 4.529 -4.983 1.00 0.00 H new ATOM 321 N ASN A 20 -11.206 7.676 -2.995 1.00 0.00 N ATOM 322 CA ASN A 20 -11.150 8.169 -1.625 1.00 0.00 C ATOM 323 C ASN A 20 -11.550 7.111 -0.597 1.00 0.00 C ATOM 324 O ASN A 20 -12.521 6.378 -0.782 1.00 0.00 O ATOM 325 CB ASN A 20 -12.060 9.392 -1.476 1.00 0.00 C ATOM 326 CG ASN A 20 -13.526 9.048 -1.654 1.00 0.00 C ATOM 327 OD1 ASN A 20 -14.144 8.441 -0.781 1.00 0.00 O ATOM 328 ND2 ASN A 20 -14.090 9.436 -2.793 1.00 0.00 N ATOM 0 H ASN A 20 -12.146 7.626 -3.388 1.00 0.00 H new ATOM 0 HA ASN A 20 -10.112 8.438 -1.427 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -11.911 9.835 -0.491 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -11.775 10.145 -2.210 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.074 9.232 -2.970 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -13.539 9.937 -3.490 1.00 0.00 H new ATOM 335 N TYR A 21 -10.807 7.078 0.506 1.00 0.00 N ATOM 336 CA TYR A 21 -11.081 6.160 1.608 1.00 0.00 C ATOM 337 C TYR A 21 -10.906 6.904 2.925 1.00 0.00 C ATOM 338 O TYR A 21 -9.790 7.347 3.264 1.00 0.00 O ATOM 339 CB TYR A 21 -10.163 4.939 1.562 1.00 0.00 C ATOM 340 CG TYR A 21 -8.954 5.138 0.711 1.00 0.00 C ATOM 341 CD1 TYR A 21 -7.998 6.055 1.089 1.00 0.00 C ATOM 342 CD2 TYR A 21 -8.756 4.413 -0.455 1.00 0.00 C ATOM 343 CE1 TYR A 21 -6.878 6.255 0.333 1.00 0.00 C ATOM 344 CE2 TYR A 21 -7.625 4.604 -1.220 1.00 0.00 C ATOM 345 CZ TYR A 21 -6.689 5.532 -0.819 1.00 0.00 C ATOM 346 OH TYR A 21 -5.552 5.725 -1.559 1.00 0.00 O ATOM 0 H TYR A 21 -10.001 7.684 0.661 1.00 0.00 H new ATOM 0 HA TYR A 21 -12.105 5.799 1.517 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -9.848 4.692 2.576 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -10.726 4.085 1.186 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.136 6.624 1.996 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.496 3.691 -0.767 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.141 6.982 0.641 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.474 4.032 -2.124 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.008 6.427 -1.145 1.00 0.00 H new ATOM 356 N GLU A 22 -12.041 7.057 3.620 1.00 0.00 N ATOM 357 CA GLU A 22 -12.145 7.778 4.889 1.00 0.00 C ATOM 358 C GLU A 22 -11.456 7.089 6.065 1.00 0.00 C ATOM 359 O GLU A 22 -10.873 6.012 5.936 1.00 0.00 O ATOM 360 CB GLU A 22 -13.619 8.011 5.228 1.00 0.00 C ATOM 361 CG GLU A 22 -13.963 9.470 5.475 1.00 0.00 C ATOM 362 CD GLU A 22 -14.368 10.196 4.207 1.00 0.00 C ATOM 363 OE1 GLU A 22 -13.678 10.027 3.180 1.00 0.00 O ATOM 364 OE2 GLU A 22 -15.375 10.934 4.241 1.00 0.00 O ATOM 0 H GLU A 22 -12.932 6.673 3.305 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.619 8.721 4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -14.235 7.634 4.411 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.875 7.431 6.114 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.775 9.530 6.199 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.103 9.972 5.918 1.00 0.00 H new ATOM 371 N ALA A 23 -11.535 7.767 7.212 1.00 0.00 N ATOM 372 CA ALA A 23 -10.932 7.316 8.463 1.00 0.00 C ATOM 373 C ALA A 23 -11.126 5.823 8.729 1.00 0.00 C ATOM 374 O ALA A 23 -10.218 5.163 9.236 1.00 0.00 O ATOM 375 CB ALA A 23 -11.503 8.119 9.621 1.00 0.00 C ATOM 0 H ALA A 23 -12.027 8.657 7.297 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.858 7.480 8.371 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.053 7.782 10.555 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.284 9.177 9.473 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.582 7.975 9.666 1.00 0.00 H new ATOM 381 N GLU A 24 -12.302 5.285 8.412 1.00 0.00 N ATOM 382 CA GLU A 24 -12.561 3.867 8.659 1.00 0.00 C ATOM 383 C GLU A 24 -11.458 3.003 8.053 1.00 0.00 C ATOM 384 O GLU A 24 -10.801 2.233 8.754 1.00 0.00 O ATOM 385 CB GLU A 24 -13.918 3.465 8.077 1.00 0.00 C ATOM 386 CG GLU A 24 -15.090 3.783 8.992 1.00 0.00 C ATOM 387 CD GLU A 24 -16.424 3.709 8.277 1.00 0.00 C ATOM 388 OE1 GLU A 24 -16.537 2.926 7.310 1.00 0.00 O ATOM 389 OE2 GLU A 24 -17.358 4.434 8.684 1.00 0.00 O ATOM 0 H GLU A 24 -13.078 5.797 7.992 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.576 3.706 9.737 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.062 3.976 7.125 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.912 2.395 7.867 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.092 3.086 9.830 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.960 4.782 9.409 1.00 0.00 H new ATOM 396 N GLU A 25 -11.236 3.165 6.756 1.00 0.00 N ATOM 397 CA GLU A 25 -10.185 2.434 6.059 1.00 0.00 C ATOM 398 C GLU A 25 -8.814 3.017 6.401 1.00 0.00 C ATOM 399 O GLU A 25 -7.789 2.350 6.268 1.00 0.00 O ATOM 400 CB GLU A 25 -10.416 2.485 4.547 1.00 0.00 C ATOM 401 CG GLU A 25 -11.004 1.204 3.979 1.00 0.00 C ATOM 402 CD GLU A 25 -11.442 1.354 2.534 1.00 0.00 C ATOM 403 OE1 GLU A 25 -10.602 1.745 1.697 1.00 0.00 O ATOM 404 OE2 GLU A 25 -12.624 1.079 2.240 1.00 0.00 O ATOM 0 H GLU A 25 -11.772 3.799 6.163 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.213 1.394 6.384 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.084 3.315 4.318 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.468 2.692 4.050 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.264 0.406 4.050 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.858 0.901 4.584 1.00 0.00 H new ATOM 411 N ASP A 26 -8.813 4.287 6.807 1.00 0.00 N ATOM 412 CA ASP A 26 -7.585 5.006 7.134 1.00 0.00 C ATOM 413 C ASP A 26 -6.759 4.341 8.240 1.00 0.00 C ATOM 414 O ASP A 26 -5.534 4.382 8.199 1.00 0.00 O ATOM 415 CB ASP A 26 -7.915 6.434 7.556 1.00 0.00 C ATOM 416 CG ASP A 26 -8.495 7.254 6.420 1.00 0.00 C ATOM 417 OD1 ASP A 26 -8.581 6.727 5.292 1.00 0.00 O ATOM 418 OD2 ASP A 26 -8.861 8.424 6.659 1.00 0.00 O ATOM 0 H ASP A 26 -9.661 4.843 6.918 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.979 4.994 6.228 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.625 6.411 8.383 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.011 6.919 7.926 1.00 0.00 H new ATOM 423 N LEU A 27 -7.420 3.768 9.248 1.00 0.00 N ATOM 424 CA LEU A 27 -6.711 3.152 10.374 1.00 0.00 C ATOM 425 C LEU A 27 -5.607 2.207 9.909 1.00 0.00 C ATOM 426 O LEU A 27 -4.432 2.382 10.254 1.00 0.00 O ATOM 427 CB LEU A 27 -7.705 2.388 11.247 1.00 0.00 C ATOM 428 CG LEU A 27 -7.426 2.469 12.743 1.00 0.00 C ATOM 429 CD1 LEU A 27 -8.679 2.874 13.505 1.00 0.00 C ATOM 430 CD2 LEU A 27 -6.887 1.143 13.261 1.00 0.00 C ATOM 0 H LEU A 27 -8.437 3.717 9.309 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.242 3.952 10.947 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.707 2.772 11.056 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.703 1.340 10.946 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.667 3.234 12.906 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.456 2.925 14.571 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.017 3.850 13.157 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.463 2.137 13.334 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.694 1.222 14.331 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.620 0.357 13.081 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.960 0.900 12.742 1.00 0.00 H new ATOM 442 N MET A 28 -5.971 1.242 9.083 1.00 0.00 N ATOM 443 CA MET A 28 -4.990 0.317 8.539 1.00 0.00 C ATOM 444 C MET A 28 -4.120 1.074 7.550 1.00 0.00 C ATOM 445 O MET A 28 -2.972 0.716 7.291 1.00 0.00 O ATOM 446 CB MET A 28 -5.675 -0.869 7.854 1.00 0.00 C ATOM 447 CG MET A 28 -6.671 -0.461 6.779 1.00 0.00 C ATOM 448 SD MET A 28 -8.384 -0.644 7.310 1.00 0.00 S ATOM 449 CE MET A 28 -9.123 -1.337 5.833 1.00 0.00 C ATOM 0 H MET A 28 -6.930 1.078 8.776 1.00 0.00 H new ATOM 0 HA MET A 28 -4.377 -0.084 9.346 1.00 0.00 H new ATOM 0 HB2 MET A 28 -4.914 -1.509 7.408 1.00 0.00 H new ATOM 0 HB3 MET A 28 -6.190 -1.465 8.608 1.00 0.00 H new ATOM 0 HG2 MET A 28 -6.491 0.577 6.498 1.00 0.00 H new ATOM 0 HG3 MET A 28 -6.505 -1.066 5.888 1.00 0.00 H new ATOM 0 HE1 MET A 28 -10.207 -1.229 5.883 1.00 0.00 H new ATOM 0 HE2 MET A 28 -8.746 -0.810 4.956 1.00 0.00 H new ATOM 0 HE3 MET A 28 -8.866 -2.394 5.759 1.00 0.00 H new ATOM 459 N ARG A 29 -4.705 2.140 7.014 1.00 0.00 N ATOM 460 CA ARG A 29 -4.054 3.011 6.053 1.00 0.00 C ATOM 461 C ARG A 29 -2.899 3.762 6.682 1.00 0.00 C ATOM 462 O ARG A 29 -1.853 3.926 6.063 1.00 0.00 O ATOM 463 CB ARG A 29 -5.080 3.978 5.527 1.00 0.00 C ATOM 464 CG ARG A 29 -5.119 4.129 4.020 1.00 0.00 C ATOM 465 CD ARG A 29 -6.348 4.910 3.586 1.00 0.00 C ATOM 466 NE ARG A 29 -7.290 4.032 2.913 1.00 0.00 N ATOM 467 CZ ARG A 29 -6.984 3.350 1.817 1.00 0.00 C ATOM 468 NH1 ARG A 29 -5.843 3.588 1.189 1.00 0.00 N ATOM 469 NH2 ARG A 29 -7.820 2.440 1.346 1.00 0.00 N ATOM 0 H ARG A 29 -5.658 2.424 7.241 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.644 2.411 5.241 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.064 3.658 5.869 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.892 4.957 5.968 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.219 4.640 3.678 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.124 3.145 3.552 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.823 5.367 4.454 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.055 5.721 2.919 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.229 3.936 3.301 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.201 4.295 1.548 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.606 3.065 0.346 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.702 2.261 1.826 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.583 1.917 0.503 1.00 0.00 H new ATOM 483 N ARG A 30 -3.076 4.205 7.925 1.00 0.00 N ATOM 484 CA ARG A 30 -2.010 4.914 8.619 1.00 0.00 C ATOM 485 C ARG A 30 -0.749 4.071 8.518 1.00 0.00 C ATOM 486 O ARG A 30 0.353 4.578 8.313 1.00 0.00 O ATOM 487 CB ARG A 30 -2.351 5.131 10.100 1.00 0.00 C ATOM 488 CG ARG A 30 -3.753 5.658 10.357 1.00 0.00 C ATOM 489 CD ARG A 30 -3.957 7.029 9.738 1.00 0.00 C ATOM 490 NE ARG A 30 -4.340 6.940 8.333 1.00 0.00 N ATOM 491 CZ ARG A 30 -3.628 7.449 7.330 1.00 0.00 C ATOM 492 NH1 ARG A 30 -2.479 8.075 7.564 1.00 0.00 N ATOM 493 NH2 ARG A 30 -4.071 7.330 6.086 1.00 0.00 N ATOM 0 H ARG A 30 -3.934 4.087 8.463 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.874 5.893 8.160 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.230 4.186 10.629 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.631 5.829 10.526 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.485 4.961 9.948 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.930 5.713 11.431 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.728 7.566 10.291 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.038 7.608 9.828 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.209 6.457 8.105 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.135 8.169 8.520 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.941 8.461 6.788 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.952 6.851 5.902 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.530 7.718 5.313 1.00 0.00 H new ATOM 507 N ARG A 31 -0.950 2.761 8.654 1.00 0.00 N ATOM 508 CA ARG A 31 0.135 1.793 8.572 1.00 0.00 C ATOM 509 C ARG A 31 0.658 1.624 7.141 1.00 0.00 C ATOM 510 O ARG A 31 1.869 1.481 6.935 1.00 0.00 O ATOM 511 CB ARG A 31 -0.328 0.440 9.116 1.00 0.00 C ATOM 512 CG ARG A 31 -0.932 0.518 10.508 1.00 0.00 C ATOM 513 CD ARG A 31 0.139 0.719 11.569 1.00 0.00 C ATOM 514 NE ARG A 31 0.404 2.134 11.818 1.00 0.00 N ATOM 515 CZ ARG A 31 1.018 2.593 12.907 1.00 0.00 C ATOM 516 NH1 ARG A 31 1.432 1.752 13.847 1.00 0.00 N ATOM 517 NH2 ARG A 31 1.221 3.894 13.055 1.00 0.00 N ATOM 0 H ARG A 31 -1.866 2.346 8.823 1.00 0.00 H new ATOM 0 HA ARG A 31 0.956 2.176 9.178 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.064 0.016 8.433 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.520 -0.244 9.135 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.647 1.340 10.550 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.486 -0.397 10.717 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.175 0.240 12.496 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.059 0.228 11.253 1.00 0.00 H new ATOM 0 HE ARG A 31 0.101 2.810 11.117 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.280 0.749 13.737 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.902 2.108 14.679 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.907 4.544 12.335 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.691 4.245 13.889 1.00 0.00 H new ATOM 531 N ILE A 32 -0.238 1.659 6.143 1.00 0.00 N ATOM 532 CA ILE A 32 0.193 1.510 4.763 1.00 0.00 C ATOM 533 C ILE A 32 0.783 2.810 4.296 1.00 0.00 C ATOM 534 O ILE A 32 1.717 2.852 3.507 1.00 0.00 O ATOM 535 CB ILE A 32 -0.951 1.050 3.837 1.00 0.00 C ATOM 536 CG1 ILE A 32 -0.700 1.488 2.424 1.00 0.00 C ATOM 537 CG2 ILE A 32 -2.282 1.538 4.292 1.00 0.00 C ATOM 538 CD1 ILE A 32 0.628 1.069 1.920 1.00 0.00 C ATOM 0 H ILE A 32 -1.242 1.787 6.270 1.00 0.00 H new ATOM 0 HA ILE A 32 0.949 0.726 4.718 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.969 -0.039 3.879 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.475 1.076 1.778 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.780 2.574 2.365 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.052 1.186 3.606 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.486 1.158 5.293 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.283 2.628 4.311 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.753 1.414 0.894 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.408 1.502 2.546 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.702 -0.018 1.949 1.00 0.00 H new ATOM 550 N TYR A 33 0.225 3.867 4.796 1.00 0.00 N ATOM 551 CA TYR A 33 0.687 5.177 4.453 1.00 0.00 C ATOM 552 C TYR A 33 2.083 5.455 5.011 1.00 0.00 C ATOM 553 O TYR A 33 2.864 6.206 4.414 1.00 0.00 O ATOM 554 CB TYR A 33 -0.290 6.253 4.909 1.00 0.00 C ATOM 555 CG TYR A 33 -0.299 7.448 3.988 1.00 0.00 C ATOM 556 CD1 TYR A 33 0.613 7.544 2.942 1.00 0.00 C ATOM 557 CD2 TYR A 33 -1.215 8.476 4.157 1.00 0.00 C ATOM 558 CE1 TYR A 33 0.608 8.631 2.096 1.00 0.00 C ATOM 559 CE2 TYR A 33 -1.224 9.565 3.313 1.00 0.00 C ATOM 560 CZ TYR A 33 -0.309 9.638 2.284 1.00 0.00 C ATOM 561 OH TYR A 33 -0.309 10.725 1.441 1.00 0.00 O ATOM 0 H TYR A 33 -0.558 3.849 5.449 1.00 0.00 H new ATOM 0 HA TYR A 33 0.749 5.210 3.365 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.293 5.830 4.962 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.027 6.576 5.916 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.335 6.755 2.791 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.932 8.422 4.963 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.322 8.692 1.288 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.944 10.357 3.457 1.00 0.00 H new ATOM 0 HH TYR A 33 0.615 10.995 1.256 1.00 0.00 H new ATOM 571 N ALA A 34 2.394 4.865 6.161 1.00 0.00 N ATOM 572 CA ALA A 34 3.692 5.080 6.789 1.00 0.00 C ATOM 573 C ALA A 34 4.836 4.720 5.858 1.00 0.00 C ATOM 574 O ALA A 34 5.761 5.507 5.655 1.00 0.00 O ATOM 575 CB ALA A 34 3.792 4.299 8.091 1.00 0.00 C ATOM 0 H ALA A 34 1.771 4.240 6.673 1.00 0.00 H new ATOM 0 HA ALA A 34 3.776 6.144 7.012 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.768 4.472 8.545 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.010 4.630 8.775 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.670 3.235 7.887 1.00 0.00 H new ATOM 581 N GLU A 35 4.757 3.541 5.283 1.00 0.00 N ATOM 582 CA GLU A 35 5.775 3.075 4.348 1.00 0.00 C ATOM 583 C GLU A 35 5.943 4.040 3.178 1.00 0.00 C ATOM 584 O GLU A 35 7.022 4.139 2.597 1.00 0.00 O ATOM 585 CB GLU A 35 5.392 1.714 3.807 1.00 0.00 C ATOM 586 CG GLU A 35 3.939 1.654 3.402 1.00 0.00 C ATOM 587 CD GLU A 35 3.253 0.419 3.954 1.00 0.00 C ATOM 588 OE1 GLU A 35 3.050 0.352 5.183 1.00 0.00 O ATOM 589 OE2 GLU A 35 2.934 -0.489 3.156 1.00 0.00 O ATOM 0 H GLU A 35 3.997 2.879 5.443 1.00 0.00 H new ATOM 0 HA GLU A 35 6.719 3.016 4.890 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.018 1.477 2.947 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.589 0.955 4.564 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.425 2.546 3.759 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.864 1.657 2.315 1.00 0.00 H new ATOM 596 N SER A 36 4.857 4.722 2.808 1.00 0.00 N ATOM 597 CA SER A 36 4.883 5.640 1.670 1.00 0.00 C ATOM 598 C SER A 36 6.067 6.593 1.759 1.00 0.00 C ATOM 599 O SER A 36 6.878 6.663 0.838 1.00 0.00 O ATOM 600 CB SER A 36 3.573 6.429 1.599 1.00 0.00 C ATOM 601 OG SER A 36 3.724 7.739 2.119 1.00 0.00 O ATOM 0 H SER A 36 3.954 4.656 3.278 1.00 0.00 H new ATOM 0 HA SER A 36 4.993 5.049 0.761 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.237 6.484 0.564 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.799 5.902 2.158 1.00 0.00 H new ATOM 0 HG SER A 36 3.376 7.770 3.035 1.00 0.00 H new ATOM 607 N LYS A 37 6.192 7.306 2.868 1.00 0.00 N ATOM 608 CA LYS A 37 7.323 8.215 3.032 1.00 0.00 C ATOM 609 C LYS A 37 8.620 7.437 2.883 1.00 0.00 C ATOM 610 O LYS A 37 9.566 7.908 2.253 1.00 0.00 O ATOM 611 CB LYS A 37 7.284 8.891 4.382 1.00 0.00 C ATOM 612 CG LYS A 37 6.479 10.179 4.397 1.00 0.00 C ATOM 613 CD LYS A 37 5.028 9.938 4.017 1.00 0.00 C ATOM 614 CE LYS A 37 4.784 10.214 2.540 1.00 0.00 C ATOM 615 NZ LYS A 37 3.330 10.260 2.206 1.00 0.00 N ATOM 0 H LYS A 37 5.542 7.277 3.653 1.00 0.00 H new ATOM 0 HA LYS A 37 7.263 8.986 2.264 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.862 8.201 5.112 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.304 9.107 4.700 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.526 10.626 5.390 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.923 10.894 3.704 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.758 8.907 4.245 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.382 10.577 4.619 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.247 11.163 2.268 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.268 9.441 1.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.159 11.005 1.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.034 9.342 1.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.783 10.465 3.066 1.00 0.00 H new ATOM 629 N ALA A 38 8.642 6.215 3.423 1.00 0.00 N ATOM 630 CA ALA A 38 9.813 5.358 3.290 1.00 0.00 C ATOM 631 C ALA A 38 10.161 5.274 1.821 1.00 0.00 C ATOM 632 O ALA A 38 11.322 5.342 1.418 1.00 0.00 O ATOM 633 CB ALA A 38 9.539 3.976 3.863 1.00 0.00 C ATOM 0 H ALA A 38 7.870 5.805 3.949 1.00 0.00 H new ATOM 0 HA ALA A 38 10.650 5.776 3.849 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.427 3.354 3.753 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.286 4.064 4.920 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.707 3.519 3.328 1.00 0.00 H new ATOM 639 N ARG A 39 9.105 5.177 1.036 1.00 0.00 N ATOM 640 CA ARG A 39 9.191 5.135 -0.403 1.00 0.00 C ATOM 641 C ARG A 39 9.562 6.509 -0.928 1.00 0.00 C ATOM 642 O ARG A 39 10.244 6.644 -1.932 1.00 0.00 O ATOM 643 CB ARG A 39 7.859 4.699 -0.966 1.00 0.00 C ATOM 644 CG ARG A 39 7.245 3.553 -0.180 1.00 0.00 C ATOM 645 CD ARG A 39 7.284 2.252 -0.967 1.00 0.00 C ATOM 646 NE ARG A 39 8.600 1.619 -0.916 1.00 0.00 N ATOM 647 CZ ARG A 39 9.032 0.884 0.107 1.00 0.00 C ATOM 648 NH1 ARG A 39 8.257 0.691 1.166 1.00 0.00 N ATOM 649 NH2 ARG A 39 10.241 0.341 0.069 1.00 0.00 N ATOM 0 H ARG A 39 8.150 5.125 1.390 1.00 0.00 H new ATOM 0 HA ARG A 39 9.958 4.424 -0.710 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.172 5.546 -0.965 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.989 4.395 -2.005 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.782 3.427 0.760 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.213 3.796 0.072 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.536 1.566 -0.570 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.017 2.448 -2.005 1.00 0.00 H new ATOM 0 HE ARG A 39 9.225 1.748 -1.712 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.326 1.106 1.199 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.592 0.127 1.947 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.840 0.486 -0.744 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.572 -0.222 0.852 1.00 0.00 H new ATOM 663 N ILE A 40 9.108 7.542 -0.239 1.00 0.00 N ATOM 664 CA ILE A 40 9.424 8.897 -0.650 1.00 0.00 C ATOM 665 C ILE A 40 10.908 9.128 -0.448 1.00 0.00 C ATOM 666 O ILE A 40 11.577 9.796 -1.233 1.00 0.00 O ATOM 667 CB ILE A 40 8.540 9.902 0.093 1.00 0.00 C ATOM 668 CG1 ILE A 40 7.075 9.658 -0.313 1.00 0.00 C ATOM 669 CG2 ILE A 40 8.958 11.337 -0.206 1.00 0.00 C ATOM 670 CD1 ILE A 40 6.882 8.686 -1.481 1.00 0.00 C ATOM 0 H ILE A 40 8.527 7.470 0.596 1.00 0.00 H new ATOM 0 HA ILE A 40 9.208 9.044 -1.708 1.00 0.00 H new ATOM 0 HB ILE A 40 8.653 9.758 1.168 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.533 9.276 0.552 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.622 10.614 -0.576 1.00 0.00 H new ATOM 0 HG21 ILE A 40 8.310 12.025 0.337 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.991 11.488 0.107 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.872 11.526 -1.276 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.818 8.579 -1.693 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.391 9.073 -2.364 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.299 7.714 -1.218 1.00 0.00 H new ATOM 682 N GLU A 41 11.415 8.474 0.573 1.00 0.00 N ATOM 683 CA GLU A 41 12.836 8.479 0.884 1.00 0.00 C ATOM 684 C GLU A 41 13.568 7.661 -0.187 1.00 0.00 C ATOM 685 O GLU A 41 14.771 7.805 -0.400 1.00 0.00 O ATOM 686 CB GLU A 41 13.088 7.885 2.272 1.00 0.00 C ATOM 687 CG GLU A 41 14.544 7.939 2.701 1.00 0.00 C ATOM 688 CD GLU A 41 15.020 9.352 2.976 1.00 0.00 C ATOM 689 OE1 GLU A 41 15.073 10.156 2.023 1.00 0.00 O ATOM 690 OE2 GLU A 41 15.340 9.653 4.145 1.00 0.00 O ATOM 0 H GLU A 41 10.853 7.919 1.218 1.00 0.00 H new ATOM 0 HA GLU A 41 13.207 9.504 0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.482 8.421 3.003 1.00 0.00 H new ATOM 0 HB3 GLU A 41 12.754 6.848 2.280 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.677 7.334 3.598 1.00 0.00 H new ATOM 0 HG3 GLU A 41 15.165 7.496 1.922 1.00 0.00 H new ATOM 697 N GLU A 42 12.808 6.748 -0.790 1.00 0.00 N ATOM 698 CA GLU A 42 13.294 5.792 -1.788 1.00 0.00 C ATOM 699 C GLU A 42 14.042 6.411 -2.972 1.00 0.00 C ATOM 700 O GLU A 42 15.235 6.169 -3.161 1.00 0.00 O ATOM 701 CB GLU A 42 12.031 5.153 -2.386 1.00 0.00 C ATOM 702 CG GLU A 42 12.276 4.152 -3.497 1.00 0.00 C ATOM 703 CD GLU A 42 11.610 2.814 -3.241 1.00 0.00 C ATOM 704 OE1 GLU A 42 12.186 1.998 -2.492 1.00 0.00 O ATOM 705 OE2 GLU A 42 10.512 2.584 -3.790 1.00 0.00 O ATOM 0 H GLU A 42 11.812 6.649 -0.594 1.00 0.00 H new ATOM 0 HA GLU A 42 13.990 5.121 -1.284 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.482 4.656 -1.586 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.389 5.946 -2.769 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.907 4.562 -4.437 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.349 4.002 -3.614 1.00 0.00 H new ATOM 712 N HIS A 43 13.333 7.178 -3.777 1.00 0.00 N ATOM 713 CA HIS A 43 13.914 7.786 -4.962 1.00 0.00 C ATOM 714 C HIS A 43 14.670 9.059 -4.647 1.00 0.00 C ATOM 715 O HIS A 43 15.623 9.418 -5.339 1.00 0.00 O ATOM 716 CB HIS A 43 12.810 8.072 -5.966 1.00 0.00 C ATOM 717 CG HIS A 43 12.201 6.835 -6.553 1.00 0.00 C ATOM 718 ND1 HIS A 43 12.822 5.604 -6.524 1.00 0.00 N ATOM 719 CD2 HIS A 43 11.017 6.641 -7.182 1.00 0.00 C ATOM 720 CE1 HIS A 43 12.049 4.708 -7.112 1.00 0.00 C ATOM 721 NE2 HIS A 43 10.947 5.311 -7.519 1.00 0.00 N ATOM 0 H HIS A 43 12.347 7.397 -3.632 1.00 0.00 H new ATOM 0 HA HIS A 43 14.635 7.083 -5.379 1.00 0.00 H new ATOM 0 HB2 HIS A 43 12.029 8.656 -5.479 1.00 0.00 H new ATOM 0 HB3 HIS A 43 13.212 8.687 -6.771 1.00 0.00 H new ATOM 0 HD2 HIS A 43 10.267 7.392 -7.381 1.00 0.00 H new ATOM 0 HE1 HIS A 43 12.279 3.660 -7.238 1.00 0.00 H new ATOM 0 HE2 HIS A 43 10.170 4.862 -8.005 1.00 0.00 H new ATOM 730 N ASN A 44 14.221 9.754 -3.621 1.00 0.00 N ATOM 731 CA ASN A 44 14.835 11.004 -3.240 1.00 0.00 C ATOM 732 C ASN A 44 16.265 10.807 -2.780 1.00 0.00 C ATOM 733 O ASN A 44 17.091 11.702 -2.934 1.00 0.00 O ATOM 734 CB ASN A 44 13.999 11.689 -2.174 1.00 0.00 C ATOM 735 CG ASN A 44 13.211 12.837 -2.759 1.00 0.00 C ATOM 736 OD1 ASN A 44 12.134 12.640 -3.329 1.00 0.00 O ATOM 737 ND2 ASN A 44 13.767 14.037 -2.655 1.00 0.00 N ATOM 0 H ASN A 44 13.433 9.472 -3.038 1.00 0.00 H new ATOM 0 HA ASN A 44 14.873 11.649 -4.118 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.317 10.968 -1.722 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.647 12.056 -1.379 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.302 14.851 -3.057 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.659 14.146 -2.173 1.00 0.00 H new ATOM 744 N ARG A 45 16.548 9.633 -2.226 1.00 0.00 N ATOM 745 CA ARG A 45 17.891 9.302 -1.759 1.00 0.00 C ATOM 746 C ARG A 45 18.729 8.683 -2.886 1.00 0.00 C ATOM 747 O ARG A 45 19.953 8.591 -2.794 1.00 0.00 O ATOM 748 CB ARG A 45 17.801 8.332 -0.584 1.00 0.00 C ATOM 749 CG ARG A 45 17.674 9.020 0.765 1.00 0.00 C ATOM 750 CD ARG A 45 18.972 9.702 1.170 1.00 0.00 C ATOM 751 NE ARG A 45 19.499 9.175 2.426 1.00 0.00 N ATOM 752 CZ ARG A 45 19.059 9.540 3.628 1.00 0.00 C ATOM 753 NH1 ARG A 45 18.080 10.430 3.743 1.00 0.00 N ATOM 754 NH2 ARG A 45 19.597 9.012 4.719 1.00 0.00 N ATOM 0 H ARG A 45 15.862 8.891 -2.089 1.00 0.00 H new ATOM 0 HA ARG A 45 18.381 10.221 -1.437 1.00 0.00 H new ATOM 0 HB2 ARG A 45 16.943 7.676 -0.730 1.00 0.00 H new ATOM 0 HB3 ARG A 45 18.688 7.699 -0.577 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.872 9.757 0.724 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.395 8.288 1.523 1.00 0.00 H new ATOM 0 HD2 ARG A 45 19.713 9.568 0.382 1.00 0.00 H new ATOM 0 HD3 ARG A 45 18.802 10.774 1.270 1.00 0.00 H new ATOM 0 HE ARG A 45 20.249 8.486 2.379 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.661 10.838 2.907 1.00 0.00 H new ATOM 0 HH12 ARG A 45 17.747 10.706 4.667 1.00 0.00 H new ATOM 0 HH21 ARG A 45 20.348 8.326 4.637 1.00 0.00 H new ATOM 0 HH22 ARG A 45 19.260 9.291 5.640 1.00 0.00 H new ATOM 768 N LYS A 46 18.036 8.217 -3.918 1.00 0.00 N ATOM 769 CA LYS A 46 18.654 7.542 -5.065 1.00 0.00 C ATOM 770 C LYS A 46 19.505 8.461 -5.960 1.00 0.00 C ATOM 771 O LYS A 46 20.715 8.259 -6.090 1.00 0.00 O ATOM 772 CB LYS A 46 17.520 6.952 -5.868 1.00 0.00 C ATOM 773 CG LYS A 46 17.510 5.432 -5.901 1.00 0.00 C ATOM 774 CD LYS A 46 16.106 4.888 -6.096 1.00 0.00 C ATOM 775 CE LYS A 46 16.124 3.443 -6.572 1.00 0.00 C ATOM 776 NZ LYS A 46 15.380 2.544 -5.647 1.00 0.00 N ATOM 0 H LYS A 46 17.021 8.295 -3.988 1.00 0.00 H new ATOM 0 HA LYS A 46 19.351 6.792 -4.692 1.00 0.00 H new ATOM 0 HB2 LYS A 46 16.575 7.302 -5.454 1.00 0.00 H new ATOM 0 HB3 LYS A 46 17.579 7.327 -6.890 1.00 0.00 H new ATOM 0 HG2 LYS A 46 18.153 5.081 -6.708 1.00 0.00 H new ATOM 0 HG3 LYS A 46 17.925 5.044 -4.971 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.556 4.955 -5.157 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.575 5.504 -6.822 1.00 0.00 H new ATOM 0 HE2 LYS A 46 15.685 3.383 -7.568 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.156 3.102 -6.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 15.416 1.569 -6.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 15.814 2.581 -4.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.389 2.853 -5.584 1.00 0.00 H new ATOM 790 N PHE A 47 18.904 9.515 -6.513 1.00 0.00 N ATOM 791 CA PHE A 47 19.659 10.475 -7.313 1.00 0.00 C ATOM 792 C PHE A 47 20.573 11.131 -6.352 1.00 0.00 C ATOM 793 O PHE A 47 21.725 11.448 -6.632 1.00 0.00 O ATOM 794 CB PHE A 47 18.788 11.520 -7.989 1.00 0.00 C ATOM 795 CG PHE A 47 17.957 12.340 -7.057 1.00 0.00 C ATOM 796 CD1 PHE A 47 18.451 13.502 -6.488 1.00 0.00 C ATOM 797 CD2 PHE A 47 16.669 11.952 -6.773 1.00 0.00 C ATOM 798 CE1 PHE A 47 17.661 14.264 -5.648 1.00 0.00 C ATOM 799 CE2 PHE A 47 15.873 12.704 -5.934 1.00 0.00 C ATOM 800 CZ PHE A 47 16.368 13.865 -5.371 1.00 0.00 C ATOM 0 H PHE A 47 17.909 9.723 -6.423 1.00 0.00 H new ATOM 0 HA PHE A 47 20.171 9.962 -8.127 1.00 0.00 H new ATOM 0 HB2 PHE A 47 19.428 12.188 -8.566 1.00 0.00 H new ATOM 0 HB3 PHE A 47 18.128 11.020 -8.697 1.00 0.00 H new ATOM 0 HD1 PHE A 47 19.462 13.815 -6.702 1.00 0.00 H new ATOM 0 HD2 PHE A 47 16.275 11.047 -7.212 1.00 0.00 H new ATOM 0 HE1 PHE A 47 18.054 15.169 -5.209 1.00 0.00 H new ATOM 0 HE2 PHE A 47 14.864 12.386 -5.717 1.00 0.00 H new ATOM 0 HZ PHE A 47 15.746 14.458 -4.717 1.00 0.00 H new ATOM 810 N GLU A 48 20.020 11.241 -5.165 1.00 0.00 N ATOM 811 CA GLU A 48 20.711 11.747 -4.034 1.00 0.00 C ATOM 812 C GLU A 48 22.034 10.987 -3.893 1.00 0.00 C ATOM 813 O GLU A 48 22.940 11.400 -3.168 1.00 0.00 O ATOM 814 CB GLU A 48 19.807 11.521 -2.831 1.00 0.00 C ATOM 815 CG GLU A 48 19.400 12.804 -2.123 1.00 0.00 C ATOM 816 CD GLU A 48 18.850 12.556 -0.732 1.00 0.00 C ATOM 817 OE1 GLU A 48 19.647 12.549 0.229 1.00 0.00 O ATOM 818 OE2 GLU A 48 17.622 12.370 -0.605 1.00 0.00 O ATOM 0 H GLU A 48 19.056 10.971 -4.970 1.00 0.00 H new ATOM 0 HA GLU A 48 20.942 12.808 -4.125 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.909 10.995 -3.156 1.00 0.00 H new ATOM 0 HB3 GLU A 48 20.318 10.871 -2.121 1.00 0.00 H new ATOM 0 HG2 GLU A 48 20.263 13.466 -2.055 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.648 13.321 -2.720 1.00 0.00 H new ATOM 825 N LYS A 49 22.119 9.864 -4.626 1.00 0.00 N ATOM 826 CA LYS A 49 23.295 9.014 -4.642 1.00 0.00 C ATOM 827 C LYS A 49 24.124 9.256 -5.894 1.00 0.00 C ATOM 828 O LYS A 49 24.933 8.409 -6.276 1.00 0.00 O ATOM 829 CB LYS A 49 22.879 7.543 -4.573 1.00 0.00 C ATOM 830 CG LYS A 49 23.802 6.688 -3.720 1.00 0.00 C ATOM 831 CD LYS A 49 23.619 5.207 -4.013 1.00 0.00 C ATOM 832 CE LYS A 49 23.670 4.377 -2.741 1.00 0.00 C ATOM 833 NZ LYS A 49 24.363 3.077 -2.952 1.00 0.00 N ATOM 0 H LYS A 49 21.363 9.529 -5.223 1.00 0.00 H new ATOM 0 HA LYS A 49 23.904 9.259 -3.772 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.867 7.479 -4.174 1.00 0.00 H new ATOM 0 HB3 LYS A 49 22.850 7.135 -5.583 1.00 0.00 H new ATOM 0 HG2 LYS A 49 24.838 6.972 -3.906 1.00 0.00 H new ATOM 0 HG3 LYS A 49 23.604 6.878 -2.665 1.00 0.00 H new ATOM 0 HD2 LYS A 49 22.664 5.049 -4.513 1.00 0.00 H new ATOM 0 HD3 LYS A 49 24.397 4.872 -4.699 1.00 0.00 H new ATOM 0 HE2 LYS A 49 24.184 4.939 -1.961 1.00 0.00 H new ATOM 0 HE3 LYS A 49 22.656 4.194 -2.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 24.376 2.542 -2.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 23.859 2.529 -3.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 25.339 3.251 -3.266 1.00 0.00 H new ATOM 847 N GLY A 50 23.898 10.393 -6.565 1.00 0.00 N ATOM 848 CA GLY A 50 24.625 10.663 -7.798 1.00 0.00 C ATOM 849 C GLY A 50 24.494 9.469 -8.710 1.00 0.00 C ATOM 850 O GLY A 50 25.407 9.107 -9.451 1.00 0.00 O ATOM 0 H GLY A 50 23.237 11.117 -6.281 1.00 0.00 H new ATOM 0 HA2 GLY A 50 24.227 11.554 -8.283 1.00 0.00 H new ATOM 0 HA3 GLY A 50 25.675 10.860 -7.582 1.00 0.00 H new ATOM 854 N GLU A 51 23.343 8.831 -8.569 1.00 0.00 N ATOM 855 CA GLU A 51 23.003 7.620 -9.273 1.00 0.00 C ATOM 856 C GLU A 51 22.270 7.893 -10.590 1.00 0.00 C ATOM 857 O GLU A 51 22.739 7.527 -11.668 1.00 0.00 O ATOM 858 CB GLU A 51 22.126 6.795 -8.321 1.00 0.00 C ATOM 859 CG GLU A 51 22.696 5.421 -8.008 1.00 0.00 C ATOM 860 CD GLU A 51 21.757 4.580 -7.163 1.00 0.00 C ATOM 861 OE1 GLU A 51 21.156 5.131 -6.217 1.00 0.00 O ATOM 862 OE2 GLU A 51 21.624 3.371 -7.449 1.00 0.00 O ATOM 0 H GLU A 51 22.605 9.155 -7.944 1.00 0.00 H new ATOM 0 HA GLU A 51 23.911 7.084 -9.550 1.00 0.00 H new ATOM 0 HB2 GLU A 51 21.996 7.346 -7.390 1.00 0.00 H new ATOM 0 HB3 GLU A 51 21.136 6.677 -8.762 1.00 0.00 H new ATOM 0 HG2 GLU A 51 22.907 4.898 -8.941 1.00 0.00 H new ATOM 0 HG3 GLU A 51 23.645 5.536 -7.485 1.00 0.00 H new ATOM 869 N VAL A 52 21.116 8.532 -10.479 1.00 0.00 N ATOM 870 CA VAL A 52 20.272 8.877 -11.605 1.00 0.00 C ATOM 871 C VAL A 52 19.420 9.991 -11.143 1.00 0.00 C ATOM 872 O VAL A 52 19.412 10.280 -9.960 1.00 0.00 O ATOM 873 CB VAL A 52 19.322 7.718 -12.012 1.00 0.00 C ATOM 874 CG1 VAL A 52 19.627 6.473 -11.209 1.00 0.00 C ATOM 875 CG2 VAL A 52 17.845 8.084 -11.841 1.00 0.00 C ATOM 0 H VAL A 52 20.734 8.831 -9.582 1.00 0.00 H new ATOM 0 HA VAL A 52 20.900 9.115 -12.463 1.00 0.00 H new ATOM 0 HB VAL A 52 19.499 7.528 -13.071 1.00 0.00 H new ATOM 0 HG11 VAL A 52 18.951 5.672 -11.509 1.00 0.00 H new ATOM 0 HG12 VAL A 52 20.657 6.166 -11.391 1.00 0.00 H new ATOM 0 HG13 VAL A 52 19.493 6.683 -10.148 1.00 0.00 H new ATOM 0 HG21 VAL A 52 17.224 7.239 -12.139 1.00 0.00 H new ATOM 0 HG22 VAL A 52 17.649 8.328 -10.797 1.00 0.00 H new ATOM 0 HG23 VAL A 52 17.609 8.946 -12.465 1.00 0.00 H new ATOM 885 N THR A 53 18.615 10.547 -12.003 1.00 0.00 N ATOM 886 CA THR A 53 17.709 11.515 -11.498 1.00 0.00 C ATOM 887 C THR A 53 16.306 10.927 -11.541 1.00 0.00 C ATOM 888 O THR A 53 15.596 10.996 -12.545 1.00 0.00 O ATOM 889 CB THR A 53 17.866 12.786 -12.297 1.00 0.00 C ATOM 890 OG1 THR A 53 17.199 13.870 -11.672 1.00 0.00 O ATOM 891 CG2 THR A 53 17.368 12.681 -13.722 1.00 0.00 C ATOM 0 H THR A 53 18.571 10.356 -13.004 1.00 0.00 H new ATOM 0 HA THR A 53 17.913 11.773 -10.459 1.00 0.00 H new ATOM 0 HB THR A 53 18.941 12.961 -12.331 1.00 0.00 H new ATOM 0 HG1 THR A 53 17.318 14.681 -12.209 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.515 13.634 -14.230 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.922 11.902 -14.245 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.307 12.432 -13.719 1.00 0.00 H new ATOM 899 N TRP A 54 15.933 10.369 -10.397 1.00 0.00 N ATOM 900 CA TRP A 54 14.618 9.759 -10.187 1.00 0.00 C ATOM 901 C TRP A 54 14.074 10.095 -8.799 1.00 0.00 C ATOM 902 O TRP A 54 14.738 9.863 -7.791 1.00 0.00 O ATOM 903 CB TRP A 54 14.654 8.232 -10.365 1.00 0.00 C ATOM 904 CG TRP A 54 15.855 7.547 -9.771 1.00 0.00 C ATOM 905 CD1 TRP A 54 16.831 8.098 -8.987 1.00 0.00 C ATOM 906 CD2 TRP A 54 16.199 6.164 -9.920 1.00 0.00 C ATOM 907 NE1 TRP A 54 17.779 7.154 -8.678 1.00 0.00 N ATOM 908 CE2 TRP A 54 17.404 5.954 -9.224 1.00 0.00 C ATOM 909 CE3 TRP A 54 15.607 5.085 -10.581 1.00 0.00 C ATOM 910 CZ2 TRP A 54 18.026 4.709 -9.170 1.00 0.00 C ATOM 911 CZ3 TRP A 54 16.224 3.849 -10.525 1.00 0.00 C ATOM 912 CH2 TRP A 54 17.422 3.670 -9.824 1.00 0.00 C ATOM 0 H TRP A 54 16.538 10.324 -9.577 1.00 0.00 H new ATOM 0 HA TRP A 54 13.957 10.176 -10.946 1.00 0.00 H new ATOM 0 HB2 TRP A 54 13.755 7.809 -9.917 1.00 0.00 H new ATOM 0 HB3 TRP A 54 14.616 8.005 -11.430 1.00 0.00 H new ATOM 0 HD1 TRP A 54 16.853 9.127 -8.659 1.00 0.00 H new ATOM 0 HE1 TRP A 54 18.624 7.319 -8.131 1.00 0.00 H new ATOM 0 HE3 TRP A 54 14.684 5.214 -11.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 18.952 4.569 -8.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 15.774 3.008 -11.031 1.00 0.00 H new ATOM 0 HH2 TRP A 54 17.879 2.692 -9.799 1.00 0.00 H new ATOM 923 N LYS A 55 12.859 10.627 -8.752 1.00 0.00 N ATOM 924 CA LYS A 55 12.218 10.984 -7.487 1.00 0.00 C ATOM 925 C LYS A 55 11.054 10.088 -7.178 1.00 0.00 C ATOM 926 O LYS A 55 10.451 9.471 -8.055 1.00 0.00 O ATOM 927 CB LYS A 55 11.723 12.420 -7.412 1.00 0.00 C ATOM 928 CG LYS A 55 11.737 13.123 -8.745 1.00 0.00 C ATOM 929 CD LYS A 55 11.668 14.634 -8.588 1.00 0.00 C ATOM 930 CE LYS A 55 12.892 15.177 -7.870 1.00 0.00 C ATOM 931 NZ LYS A 55 12.601 15.512 -6.448 1.00 0.00 N ATOM 0 H LYS A 55 12.293 10.822 -9.578 1.00 0.00 H new ATOM 0 HA LYS A 55 13.015 10.860 -6.754 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.708 12.427 -7.015 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.344 12.975 -6.709 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.644 12.855 -9.288 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.894 12.781 -9.345 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.585 15.099 -9.570 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.770 14.902 -8.032 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.694 14.440 -7.912 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.250 16.068 -8.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.411 15.242 -5.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.433 16.535 -6.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.755 14.994 -6.135 1.00 0.00 H new ATOM 945 N MET A 56 10.756 10.047 -5.907 1.00 0.00 N ATOM 946 CA MET A 56 9.659 9.248 -5.392 1.00 0.00 C ATOM 947 C MET A 56 8.345 9.744 -5.996 1.00 0.00 C ATOM 948 O MET A 56 8.333 10.744 -6.716 1.00 0.00 O ATOM 949 CB MET A 56 9.561 9.424 -3.883 1.00 0.00 C ATOM 950 CG MET A 56 10.177 10.708 -3.355 1.00 0.00 C ATOM 951 SD MET A 56 9.492 12.173 -4.156 1.00 0.00 S ATOM 952 CE MET A 56 9.527 13.347 -2.803 1.00 0.00 C ATOM 0 H MET A 56 11.265 10.566 -5.191 1.00 0.00 H new ATOM 0 HA MET A 56 9.836 8.203 -5.647 1.00 0.00 H new ATOM 0 HB2 MET A 56 8.510 9.395 -3.595 1.00 0.00 H new ATOM 0 HB3 MET A 56 10.048 8.577 -3.399 1.00 0.00 H new ATOM 0 HG2 MET A 56 10.011 10.773 -2.280 1.00 0.00 H new ATOM 0 HG3 MET A 56 11.256 10.682 -3.510 1.00 0.00 H new ATOM 0 HE1 MET A 56 8.522 13.464 -2.397 1.00 0.00 H new ATOM 0 HE2 MET A 56 10.194 12.982 -2.022 1.00 0.00 H new ATOM 0 HE3 MET A 56 9.886 14.310 -3.166 1.00 0.00 H new ATOM 962 N GLY A 57 7.238 9.067 -5.697 1.00 0.00 N ATOM 963 CA GLY A 57 5.966 9.496 -6.218 1.00 0.00 C ATOM 964 C GLY A 57 4.810 9.020 -5.370 1.00 0.00 C ATOM 965 O GLY A 57 3.653 9.206 -5.745 1.00 0.00 O ATOM 0 H GLY A 57 7.207 8.236 -5.107 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.948 10.584 -6.276 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.847 9.121 -7.234 1.00 0.00 H new ATOM 969 N ILE A 58 5.111 8.404 -4.219 1.00 0.00 N ATOM 970 CA ILE A 58 4.072 7.919 -3.339 1.00 0.00 C ATOM 971 C ILE A 58 3.260 6.900 -4.076 1.00 0.00 C ATOM 972 O ILE A 58 2.425 7.252 -4.910 1.00 0.00 O ATOM 973 CB ILE A 58 3.153 9.059 -2.932 1.00 0.00 C ATOM 974 CG1 ILE A 58 3.936 10.153 -2.196 1.00 0.00 C ATOM 975 CG2 ILE A 58 1.980 8.552 -2.097 1.00 0.00 C ATOM 976 CD1 ILE A 58 3.993 9.975 -0.690 1.00 0.00 C ATOM 0 H ILE A 58 6.061 8.237 -3.889 1.00 0.00 H new ATOM 0 HA ILE A 58 4.529 7.487 -2.449 1.00 0.00 H new ATOM 0 HB ILE A 58 2.739 9.500 -3.839 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.954 10.180 -2.586 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.484 11.119 -2.419 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.341 9.390 -1.821 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.404 7.832 -2.678 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.357 8.071 -1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.565 10.791 -0.249 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.981 9.980 -0.284 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.474 9.026 -0.454 1.00 0.00 H new ATOM 988 N ASN A 59 3.520 5.644 -3.821 1.00 0.00 N ATOM 989 CA ASN A 59 2.805 4.637 -4.541 1.00 0.00 C ATOM 990 C ASN A 59 1.326 4.625 -4.156 1.00 0.00 C ATOM 991 O ASN A 59 0.961 4.976 -3.034 1.00 0.00 O ATOM 992 CB ASN A 59 3.435 3.258 -4.343 1.00 0.00 C ATOM 993 CG ASN A 59 4.864 3.199 -4.845 1.00 0.00 C ATOM 994 OD1 ASN A 59 5.459 4.222 -5.181 1.00 0.00 O ATOM 995 ND2 ASN A 59 5.425 1.995 -4.899 1.00 0.00 N ATOM 0 H ASN A 59 4.201 5.306 -3.141 1.00 0.00 H new ATOM 0 HA ASN A 59 2.871 4.883 -5.601 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.414 3.000 -3.284 1.00 0.00 H new ATOM 0 HB3 ASN A 59 2.838 2.510 -4.865 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.385 1.894 -5.229 1.00 0.00 H new ATOM 0 HD22 ASN A 59 4.896 1.172 -4.611 1.00 0.00 H new ATOM 1002 N HIS A 60 0.478 4.234 -5.105 1.00 0.00 N ATOM 1003 CA HIS A 60 -0.966 4.187 -4.885 1.00 0.00 C ATOM 1004 C HIS A 60 -1.321 3.389 -3.632 1.00 0.00 C ATOM 1005 O HIS A 60 -2.027 3.875 -2.732 1.00 0.00 O ATOM 1006 CB HIS A 60 -1.664 3.579 -6.102 1.00 0.00 C ATOM 1007 CG HIS A 60 -1.555 4.418 -7.337 1.00 0.00 C ATOM 1008 ND1 HIS A 60 -0.876 4.014 -8.466 1.00 0.00 N ATOM 1009 CD2 HIS A 60 -2.045 5.650 -7.616 1.00 0.00 C ATOM 1010 CE1 HIS A 60 -0.951 4.960 -9.386 1.00 0.00 C ATOM 1011 NE2 HIS A 60 -1.656 5.962 -8.896 1.00 0.00 N ATOM 0 H HIS A 60 0.768 3.944 -6.039 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.311 5.211 -4.740 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.237 2.596 -6.302 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.718 3.427 -5.868 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -2.632 6.271 -6.955 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -0.510 4.920 -10.371 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -1.876 6.828 -9.388 1.00 0.00 H new ATOM 1020 N LEU A 61 -0.848 2.155 -3.555 1.00 0.00 N ATOM 1021 CA LEU A 61 -1.167 1.364 -2.393 1.00 0.00 C ATOM 1022 C LEU A 61 -0.506 1.899 -1.165 1.00 0.00 C ATOM 1023 O LEU A 61 -0.776 1.393 -0.093 1.00 0.00 O ATOM 1024 CB LEU A 61 -0.818 -0.122 -2.526 1.00 0.00 C ATOM 1025 CG LEU A 61 0.660 -0.553 -2.416 1.00 0.00 C ATOM 1026 CD1 LEU A 61 1.299 -0.633 -3.792 1.00 0.00 C ATOM 1027 CD2 LEU A 61 1.490 0.340 -1.498 1.00 0.00 C ATOM 0 H LEU A 61 -0.265 1.699 -4.257 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.251 1.440 -2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.377 -0.662 -1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.190 -0.463 -3.492 1.00 0.00 H new ATOM 0 HG LEU A 61 0.652 -1.542 -1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.341 -0.938 -3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.764 -1.362 -4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.252 0.344 -4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.517 -0.023 -1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.477 1.362 -1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.070 0.319 -0.493 1.00 0.00 H new ATOM 1039 N ALA A 62 0.370 2.902 -1.281 1.00 0.00 N ATOM 1040 CA ALA A 62 1.024 3.392 -0.086 1.00 0.00 C ATOM 1041 C ALA A 62 0.025 3.888 0.924 1.00 0.00 C ATOM 1042 O ALA A 62 0.396 4.298 2.012 1.00 0.00 O ATOM 1043 CB ALA A 62 2.079 4.430 -0.327 1.00 0.00 C ATOM 0 H ALA A 62 0.628 3.366 -2.152 1.00 0.00 H new ATOM 0 HA ALA A 62 1.548 2.524 0.314 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.512 4.736 0.625 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.860 4.014 -0.964 1.00 0.00 H new ATOM 0 HB3 ALA A 62 1.633 5.295 -0.818 1.00 0.00 H new ATOM 1049 N ASP A 63 -1.248 3.793 0.587 1.00 0.00 N ATOM 1050 CA ASP A 63 -2.289 4.159 1.480 1.00 0.00 C ATOM 1051 C ASP A 63 -3.126 2.938 1.694 1.00 0.00 C ATOM 1052 O ASP A 63 -3.733 2.781 2.729 1.00 0.00 O ATOM 1053 CB ASP A 63 -3.070 5.321 0.907 1.00 0.00 C ATOM 1054 CG ASP A 63 -3.703 6.217 1.966 1.00 0.00 C ATOM 1055 OD1 ASP A 63 -2.977 6.642 2.890 1.00 0.00 O ATOM 1056 OD2 ASP A 63 -4.929 6.495 1.872 1.00 0.00 O ATOM 0 H ASP A 63 -1.572 3.457 -0.320 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.908 4.500 2.443 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.406 5.922 0.285 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.854 4.934 0.256 1.00 0.00 H new ATOM 1061 N LEU A 64 -3.071 2.011 0.744 1.00 0.00 N ATOM 1062 CA LEU A 64 -3.751 0.756 0.936 1.00 0.00 C ATOM 1063 C LEU A 64 -2.902 -0.392 0.469 1.00 0.00 C ATOM 1064 O LEU A 64 -2.942 -0.814 -0.675 1.00 0.00 O ATOM 1065 CB LEU A 64 -5.051 0.703 0.194 1.00 0.00 C ATOM 1066 CG LEU A 64 -4.894 1.059 -1.278 1.00 0.00 C ATOM 1067 CD1 LEU A 64 -4.704 -0.176 -2.116 1.00 0.00 C ATOM 1068 CD2 LEU A 64 -6.061 1.893 -1.780 1.00 0.00 C ATOM 0 H LEU A 64 -2.574 2.109 -0.141 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.944 0.674 2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.475 -0.298 0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.759 1.390 0.658 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.996 1.669 -1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.595 0.108 -3.163 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.809 -0.704 -1.788 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.571 -0.828 -2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.914 2.128 -2.834 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.988 1.332 -1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.120 2.818 -1.207 1.00 0.00 H new ATOM 1080 N THR A 65 -2.184 -0.930 1.394 1.00 0.00 N ATOM 1081 CA THR A 65 -1.351 -2.096 1.128 1.00 0.00 C ATOM 1082 C THR A 65 -2.105 -3.314 1.626 1.00 0.00 C ATOM 1083 O THR A 65 -3.201 -3.160 2.150 1.00 0.00 O ATOM 1084 CB THR A 65 0.019 -2.033 1.826 1.00 0.00 C ATOM 1085 OG1 THR A 65 0.037 -1.065 2.836 1.00 0.00 O ATOM 1086 CG2 THR A 65 1.172 -1.756 0.884 1.00 0.00 C ATOM 0 H THR A 65 -2.144 -0.592 2.355 1.00 0.00 H new ATOM 0 HA THR A 65 -1.153 -2.138 0.057 1.00 0.00 H new ATOM 0 HB THR A 65 0.158 -3.028 2.248 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.858 -1.158 3.364 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.104 -1.726 1.449 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.227 -2.545 0.134 1.00 0.00 H new ATOM 0 HG23 THR A 65 1.016 -0.797 0.390 1.00 0.00 H new ATOM 1094 N PRO A 66 -1.529 -4.535 1.554 1.00 0.00 N ATOM 1095 CA PRO A 66 -2.150 -5.745 2.111 1.00 0.00 C ATOM 1096 C PRO A 66 -2.949 -5.405 3.362 1.00 0.00 C ATOM 1097 O PRO A 66 -3.940 -6.056 3.683 1.00 0.00 O ATOM 1098 CB PRO A 66 -0.917 -6.595 2.473 1.00 0.00 C ATOM 1099 CG PRO A 66 0.214 -5.646 2.271 1.00 0.00 C ATOM 1100 CD PRO A 66 -0.203 -4.871 1.074 1.00 0.00 C ATOM 0 HA PRO A 66 -2.847 -6.239 1.434 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.963 -6.956 3.501 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.828 -7.471 1.831 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.358 -5.001 3.138 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.155 -6.170 2.104 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.422 -3.998 0.885 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.212 -5.462 0.158 1.00 0.00 H new ATOM 1108 N GLU A 67 -2.523 -4.329 4.041 1.00 0.00 N ATOM 1109 CA GLU A 67 -3.216 -3.850 5.224 1.00 0.00 C ATOM 1110 C GLU A 67 -4.656 -3.611 4.844 1.00 0.00 C ATOM 1111 O GLU A 67 -5.596 -4.200 5.388 1.00 0.00 O ATOM 1112 CB GLU A 67 -2.633 -2.477 5.622 1.00 0.00 C ATOM 1113 CG GLU A 67 -1.135 -2.334 5.423 1.00 0.00 C ATOM 1114 CD GLU A 67 -0.364 -3.610 5.711 1.00 0.00 C ATOM 1115 OE1 GLU A 67 -0.858 -4.434 6.510 1.00 0.00 O ATOM 1116 OE2 GLU A 67 0.732 -3.784 5.139 1.00 0.00 O ATOM 0 H GLU A 67 -1.702 -3.782 3.783 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.116 -4.571 6.036 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.137 -1.703 5.042 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.864 -2.291 6.671 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.940 -2.025 4.396 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.764 -1.540 6.071 1.00 0.00 H new ATOM 1123 N GLU A 68 -4.785 -2.786 3.828 1.00 0.00 N ATOM 1124 CA GLU A 68 -6.066 -2.474 3.248 1.00 0.00 C ATOM 1125 C GLU A 68 -6.518 -3.621 2.389 1.00 0.00 C ATOM 1126 O GLU A 68 -7.617 -4.131 2.508 1.00 0.00 O ATOM 1127 CB GLU A 68 -5.955 -1.244 2.388 1.00 0.00 C ATOM 1128 CG GLU A 68 -6.965 -0.183 2.745 1.00 0.00 C ATOM 1129 CD GLU A 68 -6.311 1.015 3.372 1.00 0.00 C ATOM 1130 OE1 GLU A 68 -5.082 1.139 3.235 1.00 0.00 O ATOM 1131 OE2 GLU A 68 -7.020 1.828 3.993 1.00 0.00 O ATOM 0 H GLU A 68 -3.999 -2.313 3.382 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.783 -2.298 4.050 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.951 -0.830 2.484 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.085 -1.525 1.343 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.504 0.124 1.848 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.701 -0.598 3.433 1.00 0.00 H new ATOM 1138 N PHE A 69 -5.604 -3.996 1.504 1.00 0.00 N ATOM 1139 CA PHE A 69 -5.812 -5.055 0.538 1.00 0.00 C ATOM 1140 C PHE A 69 -6.329 -6.328 1.206 1.00 0.00 C ATOM 1141 O PHE A 69 -6.919 -7.184 0.548 1.00 0.00 O ATOM 1142 CB PHE A 69 -4.480 -5.311 -0.184 1.00 0.00 C ATOM 1143 CG PHE A 69 -4.281 -4.491 -1.432 1.00 0.00 C ATOM 1144 CD1 PHE A 69 -5.001 -4.795 -2.577 1.00 0.00 C ATOM 1145 CD2 PHE A 69 -3.369 -3.422 -1.479 1.00 0.00 C ATOM 1146 CE1 PHE A 69 -4.831 -4.069 -3.739 1.00 0.00 C ATOM 1147 CE2 PHE A 69 -3.205 -2.699 -2.646 1.00 0.00 C ATOM 1148 CZ PHE A 69 -3.934 -3.022 -3.773 1.00 0.00 C ATOM 0 H PHE A 69 -4.683 -3.562 1.440 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.573 -4.751 -0.180 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.661 -5.105 0.506 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.419 -6.368 -0.445 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.706 -5.613 -2.560 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.795 -3.165 -0.601 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.400 -4.321 -4.621 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.504 -1.878 -2.676 1.00 0.00 H new ATOM 0 HZ PHE A 69 -3.802 -2.454 -4.682 1.00 0.00 H new ATOM 1158 N ALA A 70 -6.142 -6.432 2.521 1.00 0.00 N ATOM 1159 CA ALA A 70 -6.628 -7.583 3.266 1.00 0.00 C ATOM 1160 C ALA A 70 -8.121 -7.437 3.557 1.00 0.00 C ATOM 1161 O ALA A 70 -8.887 -8.389 3.406 1.00 0.00 O ATOM 1162 CB ALA A 70 -5.849 -7.749 4.563 1.00 0.00 C ATOM 0 H ALA A 70 -5.659 -5.734 3.087 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.478 -8.475 2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.227 -8.615 5.106 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.793 -7.895 4.337 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.968 -6.856 5.176 1.00 0.00 H new ATOM 1168 N GLN A 71 -8.528 -6.235 3.968 1.00 0.00 N ATOM 1169 CA GLN A 71 -9.937 -5.966 4.271 1.00 0.00 C ATOM 1170 C GLN A 71 -10.541 -4.950 3.293 1.00 0.00 C ATOM 1171 O GLN A 71 -11.708 -4.576 3.413 1.00 0.00 O ATOM 1172 CB GLN A 71 -10.079 -5.452 5.705 1.00 0.00 C ATOM 1173 CG GLN A 71 -11.521 -5.368 6.180 1.00 0.00 C ATOM 1174 CD GLN A 71 -11.919 -3.965 6.595 1.00 0.00 C ATOM 1175 OE1 GLN A 71 -11.104 -3.206 7.120 1.00 0.00 O ATOM 1176 NE2 GLN A 71 -13.177 -3.613 6.359 1.00 0.00 N ATOM 0 H GLN A 71 -7.907 -5.436 4.099 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.483 -6.903 4.164 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.522 -6.108 6.374 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.624 -4.464 5.775 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -12.182 -5.708 5.383 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -11.662 -6.045 7.022 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -13.818 -4.275 5.922 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.502 -2.681 6.615 1.00 0.00 H new ATOM 1185 N ARG A 72 -9.739 -4.519 2.325 1.00 0.00 N ATOM 1186 CA ARG A 72 -10.166 -3.561 1.315 1.00 0.00 C ATOM 1187 C ARG A 72 -10.778 -4.306 0.143 1.00 0.00 C ATOM 1188 O ARG A 72 -11.825 -3.927 -0.381 1.00 0.00 O ATOM 1189 CB ARG A 72 -8.965 -2.724 0.858 1.00 0.00 C ATOM 1190 CG ARG A 72 -9.230 -1.831 -0.337 1.00 0.00 C ATOM 1191 CD ARG A 72 -9.915 -0.537 0.073 1.00 0.00 C ATOM 1192 NE ARG A 72 -10.167 0.336 -1.071 1.00 0.00 N ATOM 1193 CZ ARG A 72 -11.182 0.174 -1.918 1.00 0.00 C ATOM 1194 NH1 ARG A 72 -12.041 -0.825 -1.752 1.00 0.00 N ATOM 1195 NH2 ARG A 72 -11.339 1.013 -2.932 1.00 0.00 N ATOM 0 H ARG A 72 -8.772 -4.826 2.220 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.915 -2.890 1.734 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.634 -2.104 1.691 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.142 -3.397 0.616 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.289 -1.603 -0.837 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.853 -2.361 -1.057 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.859 -0.767 0.568 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.294 -0.013 0.799 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.528 1.115 -1.230 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -11.925 -1.473 -0.973 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.817 -0.944 -2.404 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.683 1.783 -3.064 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.116 0.889 -3.581 1.00 0.00 H new