USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 487 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 38 CYS SG : rot -167:sc= -0.375 USER MOD Set 1.2: A 42 CYS SG : rot 62:sc= 1.82 USER MOD Set 1.3: A 69 CYS SG : rot 169:sc= -0.36 USER MOD Set 1.4: A 72 CYS SG : rot -60:sc= -0.996 USER MOD Single : A 11 GLN : amide:sc= -0.056 K(o=-0.056,f=-0.75) USER MOD Single : A 14 GLN : amide:sc=-0.00725 X(o=-0.0073,f=-0.24) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.727 X(o=-0.73,f=-0.53) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 170:sc= -0.0951 USER MOD Single : A 41 SER OG : rot 62:sc= 0.832 USER MOD Single : A 46 HIS : no HD1:sc= -0.609 K(o=-0.61,f=-1.1) USER MOD Single : A 51 ASN : amide:sc= -1.59! K(o=-1.6!,f=-0.67) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot -165:sc= -0.987 USER MOD Single : A 57 ASN : amide:sc= -1.18 K(o=-1.2,f=-5.8!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -1.03 X(o=-1,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 131 N ASP A 9 -15.023 -0.728 -8.530 1.00 0.00 N ATOM 132 CA ASP A 9 -13.565 -0.813 -8.699 1.00 0.00 C ATOM 133 C ASP A 9 -12.962 0.558 -9.074 1.00 0.00 C ATOM 134 O ASP A 9 -11.787 0.822 -8.809 1.00 0.00 O ATOM 135 CB ASP A 9 -13.230 -1.882 -9.760 1.00 0.00 C ATOM 136 CG ASP A 9 -13.815 -3.261 -9.426 1.00 0.00 C ATOM 137 OD1 ASP A 9 -13.115 -4.025 -8.724 1.00 0.00 O ATOM 138 OD2 ASP A 9 -14.951 -3.530 -9.873 1.00 0.00 O ATOM 0 HA ASP A 9 -13.118 -1.107 -7.750 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -13.610 -1.557 -10.728 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.147 -1.966 -9.854 1.00 0.00 H new ATOM 143 N ASP A 10 -13.782 1.446 -9.670 1.00 0.00 N ATOM 144 CA ASP A 10 -13.538 2.895 -9.758 1.00 0.00 C ATOM 145 C ASP A 10 -12.946 3.437 -8.441 1.00 0.00 C ATOM 146 O ASP A 10 -11.787 3.861 -8.372 1.00 0.00 O ATOM 147 CB ASP A 10 -14.858 3.610 -10.129 1.00 0.00 C ATOM 148 CG ASP A 10 -15.165 3.580 -11.630 1.00 0.00 C ATOM 149 OD1 ASP A 10 -15.293 2.458 -12.167 1.00 0.00 O ATOM 150 OD2 ASP A 10 -15.273 4.679 -12.218 1.00 0.00 O ATOM 0 H ASP A 10 -14.656 1.165 -10.115 1.00 0.00 H new ATOM 0 HA ASP A 10 -12.802 3.092 -10.538 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -15.681 3.142 -9.588 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -14.807 4.647 -9.797 1.00 0.00 H new ATOM 155 N GLN A 11 -13.766 3.447 -7.365 1.00 0.00 N ATOM 156 CA GLN A 11 -13.477 4.170 -6.118 1.00 0.00 C ATOM 157 C GLN A 11 -12.557 3.337 -5.202 1.00 0.00 C ATOM 158 O GLN A 11 -11.914 3.887 -4.307 1.00 0.00 O ATOM 159 CB GLN A 11 -14.799 4.527 -5.401 1.00 0.00 C ATOM 160 CG GLN A 11 -16.045 4.491 -6.303 1.00 0.00 C ATOM 161 CD GLN A 11 -16.476 5.855 -6.862 1.00 0.00 C ATOM 162 OE1 GLN A 11 -16.388 6.860 -6.160 1.00 0.00 O ATOM 163 NE2 GLN A 11 -16.952 5.911 -8.110 1.00 0.00 N ATOM 0 H GLN A 11 -14.654 2.946 -7.344 1.00 0.00 H new ATOM 0 HA GLN A 11 -12.952 5.094 -6.360 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -14.946 3.835 -4.572 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -14.706 5.524 -4.971 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -15.853 3.817 -7.137 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -16.874 4.068 -5.736 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -17.014 5.061 -8.671 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -17.253 6.804 -8.501 1.00 0.00 H new ATOM 172 N ARG A 12 -12.470 2.009 -5.434 1.00 0.00 N ATOM 173 CA ARG A 12 -11.363 1.160 -4.961 1.00 0.00 C ATOM 174 C ARG A 12 -10.012 1.869 -5.235 1.00 0.00 C ATOM 175 O ARG A 12 -9.208 2.151 -4.350 1.00 0.00 O ATOM 176 CB ARG A 12 -11.397 -0.205 -5.674 1.00 0.00 C ATOM 177 CG ARG A 12 -12.364 -1.224 -5.056 1.00 0.00 C ATOM 178 CD ARG A 12 -11.888 -1.719 -3.685 1.00 0.00 C ATOM 179 NE ARG A 12 -13.031 -1.984 -2.798 1.00 0.00 N ATOM 180 CZ ARG A 12 -14.052 -2.821 -3.057 1.00 0.00 C ATOM 181 NH1 ARG A 12 -14.049 -3.612 -4.142 1.00 0.00 N ATOM 182 NH2 ARG A 12 -15.096 -2.866 -2.217 1.00 0.00 N ATOM 0 H ARG A 12 -13.176 1.494 -5.961 1.00 0.00 H new ATOM 0 HA ARG A 12 -11.472 0.995 -3.889 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.672 -0.049 -6.717 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.392 -0.628 -5.669 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.350 -0.771 -4.954 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -12.472 -2.074 -5.730 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.298 -2.628 -3.806 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.235 -0.973 -3.231 1.00 0.00 H new ATOM 0 HE ARG A 12 -13.051 -1.489 -1.907 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.262 -3.586 -4.790 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.834 -4.239 -4.318 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.111 -2.269 -1.390 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.875 -3.497 -2.405 1.00 0.00 H new ATOM 196 N TRP A 13 -9.806 2.186 -6.546 1.00 0.00 N ATOM 197 CA TRP A 13 -8.623 2.912 -7.021 1.00 0.00 C ATOM 198 C TRP A 13 -8.663 4.401 -6.622 1.00 0.00 C ATOM 199 O TRP A 13 -7.608 5.050 -6.608 1.00 0.00 O ATOM 200 CB TRP A 13 -8.450 2.768 -8.552 1.00 0.00 C ATOM 201 CG TRP A 13 -7.045 3.053 -9.020 1.00 0.00 C ATOM 202 CD1 TRP A 13 -6.659 4.042 -9.858 1.00 0.00 C ATOM 203 CD2 TRP A 13 -5.814 2.385 -8.599 1.00 0.00 C ATOM 204 NE1 TRP A 13 -5.285 4.053 -9.975 1.00 0.00 N ATOM 205 CE2 TRP A 13 -4.708 3.058 -9.213 1.00 0.00 C ATOM 206 CE3 TRP A 13 -5.515 1.280 -7.764 1.00 0.00 C ATOM 207 CZ2 TRP A 13 -3.375 2.681 -8.968 1.00 0.00 C ATOM 208 CZ3 TRP A 13 -4.181 0.847 -7.573 1.00 0.00 C ATOM 209 CH2 TRP A 13 -3.115 1.540 -8.181 1.00 0.00 C ATOM 0 H TRP A 13 -10.461 1.940 -7.288 1.00 0.00 H new ATOM 0 HA TRP A 13 -7.760 2.459 -6.533 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -8.727 1.756 -8.849 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -9.138 3.447 -9.055 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -7.329 4.723 -10.362 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -4.762 4.712 -10.551 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -6.319 0.759 -7.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -2.560 3.259 -9.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -3.979 -0.018 -6.959 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -2.100 1.198 -8.044 1.00 0.00 H new ATOM 220 N GLN A 14 -9.849 4.953 -6.279 1.00 0.00 N ATOM 221 CA GLN A 14 -9.971 6.313 -5.714 1.00 0.00 C ATOM 222 C GLN A 14 -9.358 6.366 -4.297 1.00 0.00 C ATOM 223 O GLN A 14 -8.506 7.216 -4.024 1.00 0.00 O ATOM 224 CB GLN A 14 -11.448 6.758 -5.712 1.00 0.00 C ATOM 225 CG GLN A 14 -11.893 7.414 -7.036 1.00 0.00 C ATOM 226 CD GLN A 14 -12.724 8.697 -6.883 1.00 0.00 C ATOM 227 OE1 GLN A 14 -12.377 9.555 -6.073 1.00 0.00 O ATOM 228 NE2 GLN A 14 -13.809 8.857 -7.649 1.00 0.00 N ATOM 0 H GLN A 14 -10.742 4.471 -6.386 1.00 0.00 H new ATOM 0 HA GLN A 14 -9.413 7.010 -6.339 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -12.080 5.892 -5.514 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -11.606 7.462 -4.895 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -11.005 7.643 -7.626 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -12.475 6.689 -7.605 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -14.076 8.131 -8.313 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -14.369 9.705 -7.569 1.00 0.00 H new ATOM 237 N SER A 15 -9.800 5.473 -3.390 1.00 0.00 N ATOM 238 CA SER A 15 -9.248 5.302 -2.033 1.00 0.00 C ATOM 239 C SER A 15 -7.747 4.920 -2.046 1.00 0.00 C ATOM 240 O SER A 15 -7.012 5.228 -1.108 1.00 0.00 O ATOM 241 CB SER A 15 -10.076 4.265 -1.252 1.00 0.00 C ATOM 242 OG SER A 15 -10.289 4.661 0.089 1.00 0.00 O ATOM 0 H SER A 15 -10.571 4.834 -3.587 1.00 0.00 H new ATOM 0 HA SER A 15 -9.316 6.266 -1.528 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.037 4.122 -1.745 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.563 3.303 -1.269 1.00 0.00 H new ATOM 0 HG SER A 15 -10.819 3.979 0.551 1.00 0.00 H new ATOM 248 N VAL A 16 -7.313 4.258 -3.140 1.00 0.00 N ATOM 249 CA VAL A 16 -5.954 3.747 -3.364 1.00 0.00 C ATOM 250 C VAL A 16 -5.081 4.819 -4.050 1.00 0.00 C ATOM 251 O VAL A 16 -3.879 4.906 -3.765 1.00 0.00 O ATOM 252 CB VAL A 16 -6.009 2.441 -4.201 1.00 0.00 C ATOM 253 CG1 VAL A 16 -4.719 2.214 -5.012 1.00 0.00 C ATOM 254 CG2 VAL A 16 -6.237 1.194 -3.327 1.00 0.00 C ATOM 0 H VAL A 16 -7.934 4.059 -3.924 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.497 3.514 -2.402 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.853 2.576 -4.877 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.805 1.288 -5.581 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.568 3.048 -5.697 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.870 2.144 -4.333 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.268 0.307 -3.960 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.423 1.099 -2.609 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.182 1.292 -2.793 1.00 0.00 H new ATOM 264 N LEU A 17 -5.660 5.640 -4.948 1.00 0.00 N ATOM 265 CA LEU A 17 -4.991 6.767 -5.618 1.00 0.00 C ATOM 266 C LEU A 17 -4.664 7.886 -4.604 1.00 0.00 C ATOM 267 O LEU A 17 -3.600 8.503 -4.675 1.00 0.00 O ATOM 268 CB LEU A 17 -5.884 7.334 -6.743 1.00 0.00 C ATOM 269 CG LEU A 17 -5.678 6.696 -8.134 1.00 0.00 C ATOM 270 CD1 LEU A 17 -6.577 7.409 -9.156 1.00 0.00 C ATOM 271 CD2 LEU A 17 -4.216 6.783 -8.602 1.00 0.00 C ATOM 0 H LEU A 17 -6.633 5.532 -5.234 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.061 6.398 -6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.928 7.208 -6.455 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.703 8.406 -6.823 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.941 5.641 -8.056 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.435 6.962 -10.140 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.620 7.306 -8.858 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.314 8.466 -9.197 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.120 6.321 -9.585 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.915 7.829 -8.661 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.575 6.261 -7.892 1.00 0.00 H new ATOM 283 N ALA A 18 -5.590 8.132 -3.656 1.00 0.00 N ATOM 284 CA ALA A 18 -5.425 9.035 -2.508 1.00 0.00 C ATOM 285 C ALA A 18 -4.239 8.583 -1.624 1.00 0.00 C ATOM 286 O ALA A 18 -3.669 9.381 -0.881 1.00 0.00 O ATOM 287 CB ALA A 18 -6.722 9.087 -1.686 1.00 0.00 C ATOM 0 H ALA A 18 -6.508 7.688 -3.673 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.208 10.036 -2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.589 9.759 -0.838 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.536 9.451 -2.313 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.963 8.088 -1.323 1.00 0.00 H new ATOM 293 N ARG A 19 -3.893 7.281 -1.710 1.00 0.00 N ATOM 294 CA ARG A 19 -2.857 6.615 -0.908 1.00 0.00 C ATOM 295 C ARG A 19 -3.343 6.415 0.550 1.00 0.00 C ATOM 296 O ARG A 19 -2.547 6.211 1.466 1.00 0.00 O ATOM 297 CB ARG A 19 -1.530 7.398 -1.020 1.00 0.00 C ATOM 298 CG ARG A 19 -1.118 8.186 0.233 1.00 0.00 C ATOM 299 CD ARG A 19 -0.036 9.225 -0.095 1.00 0.00 C ATOM 300 NE ARG A 19 0.370 9.184 -1.508 1.00 0.00 N ATOM 301 CZ ARG A 19 -0.014 10.058 -2.458 1.00 0.00 C ATOM 302 NH1 ARG A 19 -0.830 11.087 -2.174 1.00 0.00 N ATOM 303 NH2 ARG A 19 0.426 9.900 -3.715 1.00 0.00 N ATOM 0 H ARG A 19 -4.347 6.645 -2.366 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.665 5.615 -1.296 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.733 6.695 -1.264 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.608 8.093 -1.856 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.990 8.686 0.654 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.747 7.498 0.993 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.408 10.221 0.145 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.835 9.050 0.536 1.00 0.00 H new ATOM 0 HE ARG A 19 0.995 8.430 -1.792 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.172 11.219 -1.222 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.107 11.736 -2.910 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.046 9.123 -3.945 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.141 10.557 -4.442 1.00 0.00 H new ATOM 317 N ASP A 20 -4.681 6.457 0.739 1.00 0.00 N ATOM 318 CA ASP A 20 -5.369 6.611 2.029 1.00 0.00 C ATOM 319 C ASP A 20 -4.712 5.715 3.110 1.00 0.00 C ATOM 320 O ASP A 20 -5.087 4.547 3.227 1.00 0.00 O ATOM 321 CB ASP A 20 -6.869 6.284 1.854 1.00 0.00 C ATOM 322 CG ASP A 20 -7.588 5.994 3.176 1.00 0.00 C ATOM 323 OD1 ASP A 20 -7.327 6.737 4.148 1.00 0.00 O ATOM 324 OD2 ASP A 20 -8.393 5.038 3.193 1.00 0.00 O ATOM 0 H ASP A 20 -5.334 6.381 -0.041 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.278 7.643 2.368 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.360 7.121 1.358 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.971 5.420 1.197 1.00 0.00 H new ATOM 329 N PRO A 21 -3.709 6.214 3.874 1.00 0.00 N ATOM 330 CA PRO A 21 -2.780 5.390 4.665 1.00 0.00 C ATOM 331 C PRO A 21 -3.502 4.452 5.657 1.00 0.00 C ATOM 332 O PRO A 21 -2.920 3.473 6.126 1.00 0.00 O ATOM 333 CB PRO A 21 -1.858 6.377 5.401 1.00 0.00 C ATOM 334 CG PRO A 21 -1.896 7.620 4.516 1.00 0.00 C ATOM 335 CD PRO A 21 -3.335 7.619 4.000 1.00 0.00 C ATOM 0 HA PRO A 21 -2.220 4.723 4.010 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.218 6.589 6.408 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.846 5.985 5.500 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.668 8.525 5.079 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -1.174 7.560 3.702 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.999 8.140 4.690 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.407 8.131 3.040 1.00 0.00 H new ATOM 343 N ASN A 22 -4.770 4.771 5.986 1.00 0.00 N ATOM 344 CA ASN A 22 -5.542 4.220 7.110 1.00 0.00 C ATOM 345 C ASN A 22 -6.511 3.116 6.636 1.00 0.00 C ATOM 346 O ASN A 22 -7.370 2.674 7.406 1.00 0.00 O ATOM 347 CB ASN A 22 -6.331 5.355 7.799 1.00 0.00 C ATOM 348 CG ASN A 22 -7.080 4.901 9.058 1.00 0.00 C ATOM 349 OD1 ASN A 22 -6.475 4.700 10.110 1.00 0.00 O ATOM 350 ND2 ASN A 22 -8.402 4.740 8.956 1.00 0.00 N ATOM 0 H ASN A 22 -5.306 5.452 5.448 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.846 3.773 7.819 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.642 6.157 8.065 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.047 5.772 7.090 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.943 4.441 9.767 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.870 4.916 8.067 1.00 0.00 H new ATOM 357 N ALA A 23 -6.368 2.653 5.379 1.00 0.00 N ATOM 358 CA ALA A 23 -7.258 1.685 4.722 1.00 0.00 C ATOM 359 C ALA A 23 -6.669 0.258 4.766 1.00 0.00 C ATOM 360 O ALA A 23 -7.122 -0.621 4.028 1.00 0.00 O ATOM 361 CB ALA A 23 -7.515 2.119 3.270 1.00 0.00 C ATOM 0 H ALA A 23 -5.603 2.955 4.776 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.204 1.666 5.263 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.175 1.399 2.786 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.983 3.103 3.262 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.569 2.163 2.731 1.00 0.00 H new ATOM 367 N ASP A 24 -5.675 0.021 5.644 1.00 0.00 N ATOM 368 CA ASP A 24 -5.211 -1.308 6.068 1.00 0.00 C ATOM 369 C ASP A 24 -6.249 -1.996 6.981 1.00 0.00 C ATOM 370 O ASP A 24 -6.737 -1.388 7.935 1.00 0.00 O ATOM 371 CB ASP A 24 -3.841 -1.165 6.769 1.00 0.00 C ATOM 372 CG ASP A 24 -3.946 -0.656 8.211 1.00 0.00 C ATOM 373 OD1 ASP A 24 -3.996 0.582 8.379 1.00 0.00 O ATOM 374 OD2 ASP A 24 -3.980 -1.512 9.123 1.00 0.00 O ATOM 0 H ASP A 24 -5.157 0.778 6.091 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.094 -1.946 5.192 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.338 -2.132 6.768 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.217 -0.481 6.194 1.00 0.00 H new ATOM 379 N GLY A 25 -6.570 -3.272 6.694 1.00 0.00 N ATOM 380 CA GLY A 25 -7.688 -4.025 7.278 1.00 0.00 C ATOM 381 C GLY A 25 -8.998 -3.825 6.486 1.00 0.00 C ATOM 382 O GLY A 25 -9.836 -4.727 6.434 1.00 0.00 O ATOM 0 H GLY A 25 -6.035 -3.824 6.023 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.437 -5.086 7.302 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.837 -3.709 8.311 1.00 0.00 H new ATOM 386 N GLU A 26 -9.180 -2.633 5.887 1.00 0.00 N ATOM 387 CA GLU A 26 -10.335 -2.259 5.055 1.00 0.00 C ATOM 388 C GLU A 26 -10.299 -3.008 3.707 1.00 0.00 C ATOM 389 O GLU A 26 -11.344 -3.375 3.168 1.00 0.00 O ATOM 390 CB GLU A 26 -10.358 -0.729 4.846 1.00 0.00 C ATOM 391 CG GLU A 26 -11.461 -0.038 5.671 1.00 0.00 C ATOM 392 CD GLU A 26 -11.831 1.366 5.177 1.00 0.00 C ATOM 393 OE1 GLU A 26 -12.388 1.477 4.062 1.00 0.00 O ATOM 394 OE2 GLU A 26 -11.547 2.317 5.939 1.00 0.00 O ATOM 0 H GLU A 26 -8.500 -1.877 5.974 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.252 -2.549 5.568 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.389 -0.313 5.121 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.510 -0.512 3.789 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.354 -0.663 5.657 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.135 0.029 6.709 1.00 0.00 H new ATOM 401 N PHE A 27 -9.083 -3.243 3.167 1.00 0.00 N ATOM 402 CA PHE A 27 -8.826 -4.131 2.025 1.00 0.00 C ATOM 403 C PHE A 27 -7.311 -4.314 1.768 1.00 0.00 C ATOM 404 O PHE A 27 -6.470 -3.756 2.472 1.00 0.00 O ATOM 405 CB PHE A 27 -9.502 -3.578 0.751 1.00 0.00 C ATOM 406 CG PHE A 27 -9.218 -2.118 0.417 1.00 0.00 C ATOM 407 CD1 PHE A 27 -8.105 -1.790 -0.393 1.00 0.00 C ATOM 408 CD2 PHE A 27 -10.049 -1.088 0.909 1.00 0.00 C ATOM 409 CE1 PHE A 27 -7.874 -0.452 -0.773 1.00 0.00 C ATOM 410 CE2 PHE A 27 -9.812 0.255 0.536 1.00 0.00 C ATOM 411 CZ PHE A 27 -8.728 0.572 -0.309 1.00 0.00 C ATOM 0 H PHE A 27 -8.235 -2.806 3.527 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.249 -5.105 2.271 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -9.190 -4.190 -0.095 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -10.580 -3.702 0.854 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.430 -2.567 -0.721 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -10.868 -1.327 1.572 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.043 -0.210 -1.419 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -10.461 1.038 0.898 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.552 1.597 -0.601 1.00 0.00 H new ATOM 421 N VAL A 28 -6.979 -5.087 0.711 1.00 0.00 N ATOM 422 CA VAL A 28 -5.687 -5.103 0.010 1.00 0.00 C ATOM 423 C VAL A 28 -5.930 -4.995 -1.511 1.00 0.00 C ATOM 424 O VAL A 28 -7.078 -5.044 -1.960 1.00 0.00 O ATOM 425 CB VAL A 28 -4.864 -6.374 0.356 1.00 0.00 C ATOM 426 CG1 VAL A 28 -5.002 -6.753 1.845 1.00 0.00 C ATOM 427 CG2 VAL A 28 -5.256 -7.598 -0.496 1.00 0.00 C ATOM 0 H VAL A 28 -7.642 -5.748 0.307 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.099 -4.247 0.341 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.830 -6.112 0.131 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.412 -7.647 2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.642 -5.932 2.464 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.049 -6.949 2.075 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.646 -8.453 -0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.308 -7.832 -0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.092 -7.375 -1.550 1.00 0.00 H new ATOM 437 N PHE A 29 -4.853 -4.846 -2.311 1.00 0.00 N ATOM 438 CA PHE A 29 -4.894 -4.948 -3.779 1.00 0.00 C ATOM 439 C PHE A 29 -3.618 -5.617 -4.345 1.00 0.00 C ATOM 440 O PHE A 29 -2.573 -5.648 -3.695 1.00 0.00 O ATOM 441 CB PHE A 29 -5.095 -3.558 -4.416 1.00 0.00 C ATOM 442 CG PHE A 29 -3.974 -2.548 -4.208 1.00 0.00 C ATOM 443 CD1 PHE A 29 -2.622 -2.930 -4.360 1.00 0.00 C ATOM 444 CD2 PHE A 29 -4.286 -1.202 -3.891 1.00 0.00 C ATOM 445 CE1 PHE A 29 -1.592 -1.978 -4.204 1.00 0.00 C ATOM 446 CE2 PHE A 29 -3.257 -0.246 -3.762 1.00 0.00 C ATOM 447 CZ PHE A 29 -1.908 -0.640 -3.891 1.00 0.00 C ATOM 0 H PHE A 29 -3.921 -4.649 -1.948 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.743 -5.581 -4.036 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.240 -3.691 -5.488 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.017 -3.131 -4.021 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.376 -3.955 -4.597 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.315 -0.908 -3.748 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.561 -2.275 -4.324 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.501 0.787 -3.565 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.118 0.083 -3.750 1.00 0.00 H new ATOM 457 N ALA A 30 -3.736 -6.181 -5.567 1.00 0.00 N ATOM 458 CA ALA A 30 -2.833 -7.177 -6.159 1.00 0.00 C ATOM 459 C ALA A 30 -2.435 -6.797 -7.603 1.00 0.00 C ATOM 460 O ALA A 30 -3.261 -6.906 -8.515 1.00 0.00 O ATOM 461 CB ALA A 30 -3.506 -8.561 -6.137 1.00 0.00 C ATOM 0 H ALA A 30 -4.503 -5.938 -6.194 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.920 -7.205 -5.565 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.835 -9.299 -6.577 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.729 -8.841 -5.107 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.432 -8.525 -6.712 1.00 0.00 H new ATOM 467 N VAL A 31 -1.175 -6.376 -7.823 1.00 0.00 N ATOM 468 CA VAL A 31 -0.620 -6.002 -9.133 1.00 0.00 C ATOM 469 C VAL A 31 -0.022 -7.243 -9.831 1.00 0.00 C ATOM 470 O VAL A 31 1.125 -7.611 -9.568 1.00 0.00 O ATOM 471 CB VAL A 31 0.445 -4.886 -8.963 1.00 0.00 C ATOM 472 CG1 VAL A 31 1.091 -4.495 -10.305 1.00 0.00 C ATOM 473 CG2 VAL A 31 -0.138 -3.608 -8.333 1.00 0.00 C ATOM 0 H VAL A 31 -0.495 -6.285 -7.068 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.420 -5.613 -9.763 1.00 0.00 H new ATOM 0 HB VAL A 31 1.196 -5.311 -8.297 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.830 -3.711 -10.138 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.579 -5.367 -10.742 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.322 -4.130 -10.986 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.648 -2.859 -8.236 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.933 -3.219 -8.969 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.542 -3.840 -7.347 1.00 0.00 H new ATOM 483 N ARG A 32 -0.799 -7.886 -10.725 1.00 0.00 N ATOM 484 CA ARG A 32 -0.537 -9.225 -11.272 1.00 0.00 C ATOM 485 C ARG A 32 0.852 -9.298 -11.943 1.00 0.00 C ATOM 486 O ARG A 32 1.462 -10.368 -11.990 1.00 0.00 O ATOM 487 CB ARG A 32 -1.659 -9.596 -12.265 1.00 0.00 C ATOM 488 CG ARG A 32 -1.655 -8.703 -13.516 1.00 0.00 C ATOM 489 CD ARG A 32 -3.023 -8.702 -14.218 1.00 0.00 C ATOM 490 NE ARG A 32 -3.384 -10.057 -14.661 1.00 0.00 N ATOM 491 CZ ARG A 32 -3.798 -10.418 -15.889 1.00 0.00 C ATOM 492 NH1 ARG A 32 -3.940 -9.516 -16.873 1.00 0.00 N ATOM 493 NH2 ARG A 32 -4.077 -11.706 -16.138 1.00 0.00 N ATOM 0 H ARG A 32 -1.654 -7.471 -11.096 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.530 -9.947 -10.455 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.545 -10.638 -12.565 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.624 -9.512 -11.766 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.389 -7.684 -13.235 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.890 -9.052 -14.210 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.785 -8.322 -13.538 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.996 -8.029 -15.075 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.313 -10.800 -13.965 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.732 -8.533 -16.698 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.255 -9.814 -17.796 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.975 -12.402 -15.399 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.392 -11.990 -17.066 1.00 0.00 H new ATOM 507 N THR A 33 1.338 -8.162 -12.480 1.00 0.00 N ATOM 508 CA THR A 33 2.451 -8.076 -13.437 1.00 0.00 C ATOM 509 C THR A 33 3.811 -8.138 -12.708 1.00 0.00 C ATOM 510 O THR A 33 4.835 -8.428 -13.334 1.00 0.00 O ATOM 511 CB THR A 33 2.321 -6.783 -14.278 1.00 0.00 C ATOM 512 OG1 THR A 33 2.783 -7.005 -15.598 1.00 0.00 O ATOM 513 CG2 THR A 33 3.112 -5.600 -13.693 1.00 0.00 C ATOM 0 H THR A 33 0.950 -7.247 -12.249 1.00 0.00 H new ATOM 0 HA THR A 33 2.405 -8.932 -14.110 1.00 0.00 H new ATOM 0 HB THR A 33 1.262 -6.527 -14.268 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.694 -6.180 -16.119 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.980 -4.724 -14.328 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.747 -5.379 -12.690 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.170 -5.858 -13.646 1.00 0.00 H new ATOM 521 N THR A 34 3.827 -7.862 -11.390 1.00 0.00 N ATOM 522 CA THR A 34 4.963 -8.085 -10.484 1.00 0.00 C ATOM 523 C THR A 34 4.763 -9.375 -9.659 1.00 0.00 C ATOM 524 O THR A 34 5.738 -10.016 -9.265 1.00 0.00 O ATOM 525 CB THR A 34 5.153 -6.855 -9.562 1.00 0.00 C ATOM 526 OG1 THR A 34 6.332 -6.998 -8.790 1.00 0.00 O ATOM 527 CG2 THR A 34 3.977 -6.639 -8.595 1.00 0.00 C ATOM 0 H THR A 34 3.019 -7.463 -10.913 1.00 0.00 H new ATOM 0 HA THR A 34 5.867 -8.213 -11.079 1.00 0.00 H new ATOM 0 HB THR A 34 5.216 -5.991 -10.224 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.529 -6.153 -8.334 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.171 -5.762 -7.977 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.061 -6.486 -9.165 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.865 -7.516 -7.957 1.00 0.00 H new ATOM 535 N GLY A 35 3.496 -9.736 -9.382 1.00 0.00 N ATOM 536 CA GLY A 35 3.090 -10.708 -8.353 1.00 0.00 C ATOM 537 C GLY A 35 3.414 -10.201 -6.933 1.00 0.00 C ATOM 538 O GLY A 35 4.114 -10.870 -6.173 1.00 0.00 O ATOM 0 H GLY A 35 2.701 -9.345 -9.887 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.020 -10.901 -8.436 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.599 -11.656 -8.526 1.00 0.00 H new ATOM 542 N ILE A 36 2.910 -8.996 -6.590 1.00 0.00 N ATOM 543 CA ILE A 36 2.917 -8.408 -5.244 1.00 0.00 C ATOM 544 C ILE A 36 1.483 -7.998 -4.840 1.00 0.00 C ATOM 545 O ILE A 36 0.628 -7.801 -5.704 1.00 0.00 O ATOM 546 CB ILE A 36 3.880 -7.189 -5.194 1.00 0.00 C ATOM 547 CG1 ILE A 36 5.297 -7.522 -5.724 1.00 0.00 C ATOM 548 CG2 ILE A 36 3.982 -6.635 -3.759 1.00 0.00 C ATOM 549 CD1 ILE A 36 6.277 -6.342 -5.652 1.00 0.00 C ATOM 0 H ILE A 36 2.469 -8.385 -7.277 1.00 0.00 H new ATOM 0 HA ILE A 36 3.275 -9.151 -4.531 1.00 0.00 H new ATOM 0 HB ILE A 36 3.453 -6.432 -5.852 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.703 -8.355 -5.151 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.219 -7.855 -6.759 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.661 -5.782 -3.746 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.995 -6.319 -3.420 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.362 -7.412 -3.095 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.248 -6.651 -6.040 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.894 -5.514 -6.249 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.386 -6.022 -4.616 1.00 0.00 H new ATOM 561 N PHE A 37 1.231 -7.851 -3.524 1.00 0.00 N ATOM 562 CA PHE A 37 0.045 -7.201 -2.947 1.00 0.00 C ATOM 563 C PHE A 37 0.440 -6.208 -1.831 1.00 0.00 C ATOM 564 O PHE A 37 1.392 -6.452 -1.089 1.00 0.00 O ATOM 565 CB PHE A 37 -0.925 -8.264 -2.393 1.00 0.00 C ATOM 566 CG PHE A 37 -0.402 -9.078 -1.218 1.00 0.00 C ATOM 567 CD1 PHE A 37 -0.466 -8.556 0.096 1.00 0.00 C ATOM 568 CD2 PHE A 37 0.123 -10.374 -1.428 1.00 0.00 C ATOM 569 CE1 PHE A 37 -0.050 -9.340 1.192 1.00 0.00 C ATOM 570 CE2 PHE A 37 0.544 -11.155 -0.331 1.00 0.00 C ATOM 571 CZ PHE A 37 0.481 -10.630 0.976 1.00 0.00 C ATOM 0 H PHE A 37 1.873 -8.195 -2.811 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.452 -6.640 -3.738 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.846 -7.767 -2.087 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.186 -8.949 -3.200 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.835 -7.554 0.260 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.202 -10.767 -2.431 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.138 -8.953 2.197 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.915 -12.156 -0.493 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.839 -11.214 1.811 1.00 0.00 H new ATOM 581 N CYS A 38 -0.291 -5.079 -1.734 1.00 0.00 N ATOM 582 CA CYS A 38 -0.114 -3.996 -0.759 1.00 0.00 C ATOM 583 C CYS A 38 -1.419 -3.692 0.021 1.00 0.00 C ATOM 584 O CYS A 38 -2.449 -4.337 -0.166 1.00 0.00 O ATOM 585 CB CYS A 38 0.361 -2.715 -1.489 1.00 0.00 C ATOM 586 SG CYS A 38 1.784 -2.982 -2.587 1.00 0.00 S ATOM 0 H CYS A 38 -1.064 -4.893 -2.373 1.00 0.00 H new ATOM 0 HA CYS A 38 0.635 -4.322 -0.037 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -0.467 -2.313 -2.073 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.623 -1.961 -0.747 1.00 0.00 H new ATOM 0 HG CYS A 38 2.279 -1.834 -2.943 1.00 0.00 H new ATOM 591 N ARG A 39 -1.357 -2.645 0.866 1.00 0.00 N ATOM 592 CA ARG A 39 -2.480 -1.841 1.368 1.00 0.00 C ATOM 593 C ARG A 39 -2.718 -0.647 0.408 1.00 0.00 C ATOM 594 O ARG A 39 -1.765 -0.275 -0.304 1.00 0.00 O ATOM 595 CB ARG A 39 -2.136 -1.350 2.795 1.00 0.00 C ATOM 596 CG ARG A 39 -3.102 -0.292 3.341 1.00 0.00 C ATOM 597 CD ARG A 39 -2.438 0.774 4.214 1.00 0.00 C ATOM 598 NE ARG A 39 -1.298 0.191 4.937 1.00 0.00 N ATOM 599 CZ ARG A 39 -0.310 0.868 5.548 1.00 0.00 C ATOM 600 NH1 ARG A 39 -0.276 2.210 5.543 1.00 0.00 N ATOM 601 NH2 ARG A 39 0.659 0.182 6.172 1.00 0.00 N ATOM 0 H ARG A 39 -0.464 -2.321 1.237 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.394 -2.434 1.411 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.131 -2.205 3.471 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.127 -0.939 2.793 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.597 0.198 2.503 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.878 -0.790 3.923 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.100 1.605 3.595 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.161 1.178 4.923 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.252 -0.827 4.979 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.010 2.737 5.069 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.483 2.703 6.013 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.639 -0.838 6.178 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.416 0.680 6.640 1.00 0.00 H new ATOM 615 N PRO A 40 -3.921 -0.043 0.300 1.00 0.00 N ATOM 616 CA PRO A 40 -4.224 1.066 -0.625 1.00 0.00 C ATOM 617 C PRO A 40 -3.129 2.149 -0.760 1.00 0.00 C ATOM 618 O PRO A 40 -3.078 2.853 -1.772 1.00 0.00 O ATOM 619 CB PRO A 40 -5.554 1.670 -0.127 1.00 0.00 C ATOM 620 CG PRO A 40 -5.853 0.973 1.198 1.00 0.00 C ATOM 621 CD PRO A 40 -5.135 -0.370 1.038 1.00 0.00 C ATOM 0 HA PRO A 40 -4.285 0.666 -1.637 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.468 2.748 0.008 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.355 1.502 -0.847 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.471 1.538 2.048 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.924 0.844 1.356 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.905 -0.816 2.006 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.750 -1.088 0.495 1.00 0.00 H new ATOM 629 N SER A 41 -2.271 2.302 0.265 1.00 0.00 N ATOM 630 CA SER A 41 -1.410 3.465 0.534 1.00 0.00 C ATOM 631 C SER A 41 -0.076 3.427 -0.237 1.00 0.00 C ATOM 632 O SER A 41 0.897 4.067 0.198 1.00 0.00 O ATOM 633 CB SER A 41 -1.157 3.554 2.059 1.00 0.00 C ATOM 634 OG SER A 41 -0.493 4.751 2.407 1.00 0.00 O ATOM 0 H SER A 41 -2.154 1.573 0.969 1.00 0.00 H new ATOM 0 HA SER A 41 -1.931 4.354 0.180 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.107 3.497 2.590 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.561 2.700 2.380 1.00 0.00 H new ATOM 0 HG SER A 41 -1.051 5.518 2.160 1.00 0.00 H new ATOM 640 N CYS A 42 0.027 2.680 -1.361 1.00 0.00 N ATOM 641 CA CYS A 42 1.315 2.314 -1.985 1.00 0.00 C ATOM 642 C CYS A 42 1.936 3.535 -2.702 1.00 0.00 C ATOM 643 O CYS A 42 1.539 3.872 -3.818 1.00 0.00 O ATOM 644 CB CYS A 42 1.135 1.116 -2.941 1.00 0.00 C ATOM 645 SG CYS A 42 2.711 0.263 -3.299 1.00 0.00 S ATOM 0 H CYS A 42 -0.784 2.315 -1.860 1.00 0.00 H new ATOM 0 HA CYS A 42 2.009 2.005 -1.203 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.434 0.407 -2.501 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.694 1.464 -3.875 1.00 0.00 H new ATOM 0 HG CYS A 42 3.207 -0.213 -2.196 1.00 0.00 H new ATOM 650 N ARG A 43 2.900 4.204 -2.037 1.00 0.00 N ATOM 651 CA ARG A 43 3.395 5.552 -2.349 1.00 0.00 C ATOM 652 C ARG A 43 4.376 5.526 -3.541 1.00 0.00 C ATOM 653 O ARG A 43 4.553 6.540 -4.220 1.00 0.00 O ATOM 654 CB ARG A 43 4.051 6.161 -1.090 1.00 0.00 C ATOM 655 CG ARG A 43 5.571 5.932 -1.040 1.00 0.00 C ATOM 656 CD ARG A 43 6.162 6.301 0.329 1.00 0.00 C ATOM 657 NE ARG A 43 7.345 7.163 0.178 1.00 0.00 N ATOM 658 CZ ARG A 43 8.300 7.365 1.105 1.00 0.00 C ATOM 659 NH1 ARG A 43 8.263 6.746 2.296 1.00 0.00 N ATOM 660 NH2 ARG A 43 9.312 8.202 0.835 1.00 0.00 N ATOM 0 H ARG A 43 3.374 3.796 -1.231 1.00 0.00 H new ATOM 0 HA ARG A 43 2.555 6.179 -2.646 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.848 7.232 -1.062 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.593 5.727 -0.201 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.788 4.886 -1.259 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.053 6.527 -1.816 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.409 6.813 0.928 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.435 5.394 0.868 1.00 0.00 H new ATOM 0 HE ARG A 43 7.451 7.652 -0.711 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.499 6.106 2.515 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.999 6.916 2.982 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.353 8.679 -0.066 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.041 8.362 1.530 1.00 0.00 H new ATOM 674 N ALA A 44 5.018 4.368 -3.789 1.00 0.00 N ATOM 675 CA ALA A 44 5.761 4.052 -5.018 1.00 0.00 C ATOM 676 C ALA A 44 4.954 4.445 -6.274 1.00 0.00 C ATOM 677 O ALA A 44 3.722 4.460 -6.241 1.00 0.00 O ATOM 678 CB ALA A 44 6.109 2.555 -5.045 1.00 0.00 C ATOM 0 H ALA A 44 5.032 3.603 -3.115 1.00 0.00 H new ATOM 0 HA ALA A 44 6.684 4.632 -5.023 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.659 2.326 -5.957 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.723 2.309 -4.179 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.191 1.968 -5.018 1.00 0.00 H new ATOM 684 N ARG A 45 5.652 4.779 -7.377 1.00 0.00 N ATOM 685 CA ARG A 45 5.076 5.047 -8.702 1.00 0.00 C ATOM 686 C ARG A 45 4.037 3.968 -9.081 1.00 0.00 C ATOM 687 O ARG A 45 4.406 2.857 -9.464 1.00 0.00 O ATOM 688 CB ARG A 45 6.209 5.135 -9.746 1.00 0.00 C ATOM 689 CG ARG A 45 7.037 3.843 -9.836 1.00 0.00 C ATOM 690 CD ARG A 45 8.361 4.061 -10.582 1.00 0.00 C ATOM 691 NE ARG A 45 8.446 3.191 -11.765 1.00 0.00 N ATOM 692 CZ ARG A 45 8.459 3.601 -13.047 1.00 0.00 C ATOM 693 NH1 ARG A 45 8.364 4.901 -13.367 1.00 0.00 N ATOM 694 NH2 ARG A 45 8.569 2.692 -14.027 1.00 0.00 N ATOM 0 H ARG A 45 6.668 4.872 -7.366 1.00 0.00 H new ATOM 0 HA ARG A 45 4.550 6.002 -8.679 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.780 5.355 -10.724 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.867 5.966 -9.492 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.243 3.473 -8.831 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.456 3.074 -10.345 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.444 5.104 -10.886 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.198 3.856 -9.914 1.00 0.00 H new ATOM 0 HE ARG A 45 8.500 2.186 -11.599 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.280 5.602 -12.631 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.376 5.187 -14.346 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.642 1.701 -13.797 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.580 2.992 -15.002 1.00 0.00 H new ATOM 708 N HIS A 46 2.737 4.297 -8.953 1.00 0.00 N ATOM 709 CA HIS A 46 1.608 3.357 -8.950 1.00 0.00 C ATOM 710 C HIS A 46 1.730 2.320 -10.089 1.00 0.00 C ATOM 711 O HIS A 46 2.195 2.650 -11.181 1.00 0.00 O ATOM 712 CB HIS A 46 0.269 4.130 -9.033 1.00 0.00 C ATOM 713 CG HIS A 46 -0.156 4.751 -7.725 1.00 0.00 C ATOM 714 ND1 HIS A 46 -1.092 5.788 -7.685 1.00 0.00 N ATOM 715 CD2 HIS A 46 0.229 4.453 -6.444 1.00 0.00 C ATOM 716 CE1 HIS A 46 -1.238 6.065 -6.386 1.00 0.00 C ATOM 717 NE2 HIS A 46 -0.469 5.293 -5.601 1.00 0.00 N ATOM 0 H HIS A 46 2.436 5.266 -8.845 1.00 0.00 H new ATOM 0 HA HIS A 46 1.629 2.803 -8.012 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.358 4.914 -9.785 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.512 3.450 -9.373 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.946 3.701 -6.149 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.903 6.828 -6.008 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -0.412 5.322 -4.583 1.00 0.00 H new ATOM 725 N ALA A 47 1.279 1.076 -9.836 1.00 0.00 N ATOM 726 CA ALA A 47 0.939 0.068 -10.850 1.00 0.00 C ATOM 727 C ALA A 47 -0.567 0.121 -11.197 1.00 0.00 C ATOM 728 O ALA A 47 -1.408 -0.002 -10.306 1.00 0.00 O ATOM 729 CB ALA A 47 1.333 -1.331 -10.351 1.00 0.00 C ATOM 0 H ALA A 47 1.138 0.737 -8.885 1.00 0.00 H new ATOM 0 HA ALA A 47 1.498 0.287 -11.759 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.078 -2.073 -11.108 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.406 -1.361 -10.161 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.795 -1.553 -9.429 1.00 0.00 H new ATOM 735 N LEU A 48 -0.890 0.336 -12.486 1.00 0.00 N ATOM 736 CA LEU A 48 -2.195 0.802 -12.974 1.00 0.00 C ATOM 737 C LEU A 48 -3.354 0.030 -12.300 1.00 0.00 C ATOM 738 O LEU A 48 -3.216 -1.143 -11.951 1.00 0.00 O ATOM 739 CB LEU A 48 -2.278 0.633 -14.506 1.00 0.00 C ATOM 740 CG LEU A 48 -1.487 1.669 -15.334 1.00 0.00 C ATOM 741 CD1 LEU A 48 -1.549 1.285 -16.821 1.00 0.00 C ATOM 742 CD2 LEU A 48 -2.038 3.094 -15.160 1.00 0.00 C ATOM 0 H LEU A 48 -0.222 0.183 -13.242 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.292 1.857 -12.718 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.918 -0.363 -14.764 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.326 0.680 -14.803 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.458 1.662 -14.975 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.992 2.014 -17.409 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.112 0.296 -16.960 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.588 1.272 -17.150 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.450 3.787 -15.761 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.078 3.124 -15.485 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.977 3.382 -14.110 1.00 0.00 H new ATOM 754 N ARG A 49 -4.510 0.705 -12.140 1.00 0.00 N ATOM 755 CA ARG A 49 -5.833 0.132 -11.862 1.00 0.00 C ATOM 756 C ARG A 49 -6.051 -1.186 -12.640 1.00 0.00 C ATOM 757 O ARG A 49 -6.463 -2.197 -12.072 1.00 0.00 O ATOM 758 CB ARG A 49 -6.917 1.172 -12.220 1.00 0.00 C ATOM 759 CG ARG A 49 -8.320 0.555 -12.311 1.00 0.00 C ATOM 760 CD ARG A 49 -9.401 1.600 -11.991 1.00 0.00 C ATOM 761 NE ARG A 49 -10.750 1.035 -12.132 1.00 0.00 N ATOM 762 CZ ARG A 49 -11.776 1.598 -12.796 1.00 0.00 C ATOM 763 NH1 ARG A 49 -11.684 2.836 -13.309 1.00 0.00 N ATOM 764 NH2 ARG A 49 -12.916 0.909 -12.950 1.00 0.00 N ATOM 0 H ARG A 49 -4.542 1.722 -12.206 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.900 -0.110 -10.801 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.920 1.962 -11.469 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.667 1.639 -13.173 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.481 0.154 -13.312 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.400 -0.281 -11.616 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.264 1.969 -10.974 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.291 2.455 -12.658 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.925 0.134 -11.686 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.822 3.371 -13.199 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.476 3.241 -13.808 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.999 -0.032 -12.566 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.700 1.326 -13.452 1.00 0.00 H new ATOM 778 N GLU A 50 -5.794 -1.142 -13.971 1.00 0.00 N ATOM 779 CA GLU A 50 -6.141 -2.172 -14.951 1.00 0.00 C ATOM 780 C GLU A 50 -5.324 -3.460 -14.760 1.00 0.00 C ATOM 781 O GLU A 50 -5.701 -4.524 -15.256 1.00 0.00 O ATOM 782 CB GLU A 50 -5.928 -1.604 -16.368 1.00 0.00 C ATOM 783 CG GLU A 50 -6.446 -2.562 -17.447 1.00 0.00 C ATOM 784 CD GLU A 50 -5.371 -3.045 -18.433 1.00 0.00 C ATOM 785 OE1 GLU A 50 -4.201 -3.187 -18.011 1.00 0.00 O ATOM 786 OE2 GLU A 50 -5.749 -3.265 -19.605 1.00 0.00 O ATOM 0 H GLU A 50 -5.318 -0.347 -14.398 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.187 -2.442 -14.806 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.439 -0.646 -16.456 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.867 -1.415 -16.528 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.893 -3.429 -16.962 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.239 -2.066 -18.007 1.00 0.00 H new ATOM 793 N ASN A 51 -4.198 -3.372 -14.019 1.00 0.00 N ATOM 794 CA ASN A 51 -3.342 -4.499 -13.627 1.00 0.00 C ATOM 795 C ASN A 51 -3.642 -4.947 -12.177 1.00 0.00 C ATOM 796 O ASN A 51 -3.349 -6.084 -11.804 1.00 0.00 O ATOM 797 CB ASN A 51 -1.854 -4.108 -13.753 1.00 0.00 C ATOM 798 CG ASN A 51 -1.472 -3.527 -15.124 1.00 0.00 C ATOM 799 OD1 ASN A 51 -1.736 -4.124 -16.165 1.00 0.00 O ATOM 800 ND2 ASN A 51 -0.831 -2.352 -15.111 1.00 0.00 N ATOM 0 H ASN A 51 -3.853 -2.479 -13.668 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.555 -5.332 -14.297 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.615 -3.377 -12.981 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.240 -4.988 -13.559 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.542 -1.919 -15.988 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.631 -1.890 -14.224 1.00 0.00 H new ATOM 807 N VAL A 52 -4.205 -4.032 -11.364 1.00 0.00 N ATOM 808 CA VAL A 52 -4.508 -4.204 -9.937 1.00 0.00 C ATOM 809 C VAL A 52 -5.938 -4.760 -9.751 1.00 0.00 C ATOM 810 O VAL A 52 -6.848 -4.399 -10.498 1.00 0.00 O ATOM 811 CB VAL A 52 -4.331 -2.853 -9.193 1.00 0.00 C ATOM 812 CG1 VAL A 52 -5.675 -2.280 -8.707 1.00 0.00 C ATOM 813 CG2 VAL A 52 -3.402 -2.969 -7.972 1.00 0.00 C ATOM 0 H VAL A 52 -4.472 -3.109 -11.705 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.812 -4.926 -9.509 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.884 -2.184 -9.928 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.503 -1.335 -8.192 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.330 -2.113 -9.562 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.145 -2.986 -8.022 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.313 -1.996 -7.489 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.817 -3.688 -7.266 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.417 -3.305 -8.295 1.00 0.00 H new ATOM 823 N SER A 53 -6.129 -5.628 -8.737 1.00 0.00 N ATOM 824 CA SER A 53 -7.430 -6.075 -8.221 1.00 0.00 C ATOM 825 C SER A 53 -7.425 -6.180 -6.678 1.00 0.00 C ATOM 826 O SER A 53 -6.361 -6.320 -6.076 1.00 0.00 O ATOM 827 CB SER A 53 -7.814 -7.425 -8.854 1.00 0.00 C ATOM 828 OG SER A 53 -7.303 -8.511 -8.103 1.00 0.00 O ATOM 0 H SER A 53 -5.347 -6.051 -8.238 1.00 0.00 H new ATOM 0 HA SER A 53 -8.175 -5.328 -8.495 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.899 -7.503 -8.918 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.431 -7.473 -9.873 1.00 0.00 H new ATOM 0 HG SER A 53 -7.564 -9.354 -8.528 1.00 0.00 H new ATOM 834 N PHE A 54 -8.622 -6.089 -6.063 1.00 0.00 N ATOM 835 CA PHE A 54 -8.832 -5.768 -4.643 1.00 0.00 C ATOM 836 C PHE A 54 -9.422 -6.957 -3.846 1.00 0.00 C ATOM 837 O PHE A 54 -10.365 -7.620 -4.280 1.00 0.00 O ATOM 838 CB PHE A 54 -9.762 -4.542 -4.523 1.00 0.00 C ATOM 839 CG PHE A 54 -9.338 -3.327 -5.337 1.00 0.00 C ATOM 840 CD1 PHE A 54 -8.379 -2.426 -4.818 1.00 0.00 C ATOM 841 CD2 PHE A 54 -9.872 -3.116 -6.628 1.00 0.00 C ATOM 842 CE1 PHE A 54 -7.908 -1.360 -5.611 1.00 0.00 C ATOM 843 CE2 PHE A 54 -9.400 -2.047 -7.422 1.00 0.00 C ATOM 844 CZ PHE A 54 -8.406 -1.183 -6.920 1.00 0.00 C ATOM 0 H PHE A 54 -9.498 -6.243 -6.562 1.00 0.00 H new ATOM 0 HA PHE A 54 -7.857 -5.545 -4.210 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.765 -4.835 -4.832 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -9.823 -4.253 -3.474 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.007 -2.555 -3.812 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -10.641 -3.772 -7.008 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -7.167 -0.680 -5.218 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -9.801 -1.892 -8.413 1.00 0.00 H new ATOM 0 HZ PHE A 54 -8.024 -0.384 -7.538 1.00 0.00 H new ATOM 854 N TYR A 55 -8.850 -7.222 -2.655 1.00 0.00 N ATOM 855 CA TYR A 55 -9.214 -8.234 -1.657 1.00 0.00 C ATOM 856 C TYR A 55 -9.767 -7.592 -0.362 1.00 0.00 C ATOM 857 O TYR A 55 -9.841 -6.371 -0.232 1.00 0.00 O ATOM 858 CB TYR A 55 -7.967 -9.081 -1.308 1.00 0.00 C ATOM 859 CG TYR A 55 -7.161 -9.536 -2.518 1.00 0.00 C ATOM 860 CD1 TYR A 55 -7.854 -9.914 -3.698 1.00 0.00 C ATOM 861 CD2 TYR A 55 -5.751 -9.616 -2.486 1.00 0.00 C ATOM 862 CE1 TYR A 55 -7.140 -10.368 -4.826 1.00 0.00 C ATOM 863 CE2 TYR A 55 -5.038 -10.048 -3.622 1.00 0.00 C ATOM 864 CZ TYR A 55 -5.731 -10.434 -4.790 1.00 0.00 C ATOM 865 OH TYR A 55 -5.044 -10.872 -5.887 1.00 0.00 O ATOM 0 H TYR A 55 -8.045 -6.678 -2.343 1.00 0.00 H new ATOM 0 HA TYR A 55 -9.996 -8.860 -2.086 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.319 -8.500 -0.652 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -8.284 -9.959 -0.746 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -8.932 -9.854 -3.732 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.217 -9.345 -1.587 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.672 -10.665 -5.718 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.959 -10.084 -3.599 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.122 -11.085 -5.632 1.00 0.00 H new ATOM 875 N ALA A 56 -10.131 -8.464 0.610 1.00 0.00 N ATOM 876 CA ALA A 56 -10.387 -8.128 2.015 1.00 0.00 C ATOM 877 C ALA A 56 -9.071 -8.004 2.815 1.00 0.00 C ATOM 878 O ALA A 56 -8.942 -7.115 3.660 1.00 0.00 O ATOM 879 CB ALA A 56 -11.300 -9.191 2.646 1.00 0.00 C ATOM 0 H ALA A 56 -10.257 -9.458 0.419 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.885 -7.159 2.049 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.487 -8.937 3.689 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.246 -9.225 2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.815 -10.166 2.591 1.00 0.00 H new ATOM 885 N ASN A 57 -8.104 -8.906 2.562 1.00 0.00 N ATOM 886 CA ASN A 57 -6.847 -9.047 3.309 1.00 0.00 C ATOM 887 C ASN A 57 -5.740 -9.679 2.432 1.00 0.00 C ATOM 888 O ASN A 57 -5.954 -9.966 1.255 1.00 0.00 O ATOM 889 CB ASN A 57 -7.074 -9.914 4.566 1.00 0.00 C ATOM 890 CG ASN A 57 -7.317 -11.393 4.246 1.00 0.00 C ATOM 891 OD1 ASN A 57 -6.371 -12.166 4.095 1.00 0.00 O ATOM 892 ND2 ASN A 57 -8.586 -11.794 4.133 1.00 0.00 N ATOM 0 H ASN A 57 -8.183 -9.581 1.801 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.520 -8.051 3.607 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.206 -9.829 5.219 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -7.929 -9.524 5.119 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.796 -12.768 3.915 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -9.346 -11.126 4.265 1.00 0.00 H new ATOM 899 N ALA A 58 -4.546 -9.874 3.035 1.00 0.00 N ATOM 900 CA ALA A 58 -3.305 -10.290 2.369 1.00 0.00 C ATOM 901 C ALA A 58 -3.280 -11.814 2.113 1.00 0.00 C ATOM 902 O ALA A 58 -2.825 -12.247 1.051 1.00 0.00 O ATOM 903 CB ALA A 58 -2.094 -9.868 3.217 1.00 0.00 C ATOM 0 H ALA A 58 -4.422 -9.739 4.038 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.257 -9.795 1.399 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.175 -10.179 2.719 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.093 -8.785 3.337 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.153 -10.341 4.197 1.00 0.00 H new ATOM 909 N SER A 59 -3.780 -12.621 3.068 1.00 0.00 N ATOM 910 CA SER A 59 -3.975 -14.075 2.958 1.00 0.00 C ATOM 911 C SER A 59 -4.928 -14.425 1.792 1.00 0.00 C ATOM 912 O SER A 59 -5.015 -15.576 1.362 1.00 0.00 O ATOM 913 CB SER A 59 -4.496 -14.647 4.291 1.00 0.00 C ATOM 914 OG SER A 59 -3.442 -14.917 5.193 1.00 0.00 O ATOM 0 H SER A 59 -4.071 -12.259 3.976 1.00 0.00 H new ATOM 0 HA SER A 59 -3.010 -14.534 2.740 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.190 -13.939 4.744 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.055 -15.563 4.100 1.00 0.00 H new ATOM 0 HG SER A 59 -3.809 -15.277 6.027 1.00 0.00 H new ATOM 920 N GLU A 60 -5.634 -13.405 1.266 1.00 0.00 N ATOM 921 CA GLU A 60 -6.377 -13.428 -0.007 1.00 0.00 C ATOM 922 C GLU A 60 -5.403 -13.331 -1.201 1.00 0.00 C ATOM 923 O GLU A 60 -5.419 -14.166 -2.107 1.00 0.00 O ATOM 924 CB GLU A 60 -7.414 -12.284 -0.039 1.00 0.00 C ATOM 925 CG GLU A 60 -8.801 -12.759 -0.511 1.00 0.00 C ATOM 926 CD GLU A 60 -9.449 -13.813 0.395 1.00 0.00 C ATOM 927 OE1 GLU A 60 -9.940 -13.399 1.468 1.00 0.00 O ATOM 928 OE2 GLU A 60 -9.453 -15.005 0.013 1.00 0.00 O ATOM 0 H GLU A 60 -5.704 -12.504 1.738 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.912 -14.374 -0.087 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.502 -11.849 0.957 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.059 -11.494 -0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.464 -11.897 -0.577 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.709 -13.169 -1.517 1.00 0.00 H new ATOM 935 N ALA A 61 -4.531 -12.297 -1.177 1.00 0.00 N ATOM 936 CA ALA A 61 -3.438 -12.079 -2.134 1.00 0.00 C ATOM 937 C ALA A 61 -2.373 -13.195 -2.023 1.00 0.00 C ATOM 938 O ALA A 61 -1.571 -13.391 -2.937 1.00 0.00 O ATOM 939 CB ALA A 61 -2.804 -10.699 -1.897 1.00 0.00 C ATOM 0 H ALA A 61 -4.576 -11.570 -0.463 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.849 -12.111 -3.143 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.994 -10.543 -2.610 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -3.559 -9.924 -2.030 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.409 -10.650 -0.882 1.00 0.00 H new ATOM 945 N LEU A 62 -2.387 -13.933 -0.897 1.00 0.00 N ATOM 946 CA LEU A 62 -1.676 -15.200 -0.663 1.00 0.00 C ATOM 947 C LEU A 62 -2.319 -16.340 -1.482 1.00 0.00 C ATOM 948 O LEU A 62 -1.628 -17.112 -2.146 1.00 0.00 O ATOM 949 CB LEU A 62 -1.725 -15.547 0.844 1.00 0.00 C ATOM 950 CG LEU A 62 -0.861 -14.646 1.753 1.00 0.00 C ATOM 951 CD1 LEU A 62 -0.509 -15.415 3.037 1.00 0.00 C ATOM 952 CD2 LEU A 62 0.439 -14.201 1.063 1.00 0.00 C ATOM 0 H LEU A 62 -2.926 -13.643 -0.081 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.639 -15.087 -0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.760 -15.490 1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.405 -16.581 0.973 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.441 -13.752 1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.101 -14.784 3.683 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.425 -15.690 3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.047 -16.317 2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.013 -13.570 1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.029 -15.078 0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.198 -13.639 0.161 1.00 0.00 H new ATOM 964 N ALA A 63 -3.669 -16.418 -1.436 1.00 0.00 N ATOM 965 CA ALA A 63 -4.509 -17.303 -2.252 1.00 0.00 C ATOM 966 C ALA A 63 -4.298 -17.043 -3.760 1.00 0.00 C ATOM 967 O ALA A 63 -4.528 -17.933 -4.581 1.00 0.00 O ATOM 968 CB ALA A 63 -5.987 -17.112 -1.876 1.00 0.00 C ATOM 0 H ALA A 63 -4.218 -15.839 -0.801 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.218 -18.334 -2.050 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.605 -17.771 -2.485 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.128 -17.353 -0.822 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.277 -16.076 -2.054 1.00 0.00 H new ATOM 974 N ALA A 64 -3.852 -15.824 -4.118 1.00 0.00 N ATOM 975 CA ALA A 64 -3.421 -15.435 -5.470 1.00 0.00 C ATOM 976 C ALA A 64 -1.969 -15.879 -5.758 1.00 0.00 C ATOM 977 O ALA A 64 -1.550 -15.929 -6.915 1.00 0.00 O ATOM 978 CB ALA A 64 -3.560 -13.914 -5.641 1.00 0.00 C ATOM 0 H ALA A 64 -3.780 -15.058 -3.449 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.065 -15.942 -6.189 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.240 -13.630 -6.643 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.601 -13.625 -5.497 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.938 -13.407 -4.904 1.00 0.00 H new ATOM 984 N GLY A 65 -1.212 -16.218 -4.695 1.00 0.00 N ATOM 985 CA GLY A 65 0.182 -16.675 -4.745 1.00 0.00 C ATOM 986 C GLY A 65 1.169 -15.508 -4.961 1.00 0.00 C ATOM 987 O GLY A 65 2.155 -15.653 -5.687 1.00 0.00 O ATOM 0 H GLY A 65 -1.574 -16.178 -3.742 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.428 -17.190 -3.816 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.297 -17.400 -5.551 1.00 0.00 H new ATOM 991 N PHE A 66 0.903 -14.351 -4.325 1.00 0.00 N ATOM 992 CA PHE A 66 1.710 -13.125 -4.401 1.00 0.00 C ATOM 993 C PHE A 66 2.555 -12.941 -3.122 1.00 0.00 C ATOM 994 O PHE A 66 2.320 -13.624 -2.122 1.00 0.00 O ATOM 995 CB PHE A 66 0.797 -11.901 -4.614 1.00 0.00 C ATOM 996 CG PHE A 66 0.012 -11.883 -5.920 1.00 0.00 C ATOM 997 CD1 PHE A 66 -0.105 -13.059 -6.698 1.00 0.00 C ATOM 998 CD2 PHE A 66 -0.585 -10.685 -6.371 1.00 0.00 C ATOM 999 CE1 PHE A 66 -0.816 -13.035 -7.917 1.00 0.00 C ATOM 1000 CE2 PHE A 66 -1.314 -10.667 -7.581 1.00 0.00 C ATOM 1001 CZ PHE A 66 -1.433 -11.842 -8.351 1.00 0.00 C ATOM 0 H PHE A 66 0.088 -14.244 -3.722 1.00 0.00 H new ATOM 0 HA PHE A 66 2.389 -13.215 -5.249 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.090 -11.849 -3.786 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.410 -11.001 -4.567 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.351 -13.977 -6.358 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.484 -9.781 -5.789 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.888 -13.930 -8.518 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.780 -9.752 -7.916 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.996 -11.829 -9.273 1.00 0.00 H new ATOM 1011 N ARG A 67 3.549 -12.033 -3.159 1.00 0.00 N ATOM 1012 CA ARG A 67 4.457 -11.708 -2.050 1.00 0.00 C ATOM 1013 C ARG A 67 4.130 -10.322 -1.438 1.00 0.00 C ATOM 1014 O ARG A 67 3.743 -9.416 -2.178 1.00 0.00 O ATOM 1015 CB ARG A 67 5.916 -11.742 -2.561 1.00 0.00 C ATOM 1016 CG ARG A 67 6.807 -10.728 -1.836 1.00 0.00 C ATOM 1017 CD ARG A 67 7.775 -11.353 -0.826 1.00 0.00 C ATOM 1018 NE ARG A 67 8.597 -12.369 -1.500 1.00 0.00 N ATOM 1019 CZ ARG A 67 9.916 -12.298 -1.745 1.00 0.00 C ATOM 1020 NH1 ARG A 67 10.639 -11.230 -1.374 1.00 0.00 N ATOM 1021 NH2 ARG A 67 10.513 -13.321 -2.373 1.00 0.00 N ATOM 0 H ARG A 67 3.747 -11.486 -3.997 1.00 0.00 H new ATOM 0 HA ARG A 67 4.326 -12.451 -1.263 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.324 -12.744 -2.425 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.929 -11.535 -3.631 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.381 -10.171 -2.576 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.173 -10.009 -1.318 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.413 -10.583 -0.393 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.219 -11.806 -0.005 1.00 0.00 H new ATOM 0 HE ARG A 67 8.117 -13.213 -1.813 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.188 -10.450 -0.895 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.639 -11.198 -1.571 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.967 -14.135 -2.656 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.514 -13.286 -2.568 1.00 0.00 H new ATOM 1035 N PRO A 68 4.265 -10.130 -0.102 1.00 0.00 N ATOM 1036 CA PRO A 68 4.139 -8.831 0.582 1.00 0.00 C ATOM 1037 C PRO A 68 5.141 -7.746 0.127 1.00 0.00 C ATOM 1038 O PRO A 68 6.346 -7.886 0.342 1.00 0.00 O ATOM 1039 CB PRO A 68 4.284 -9.132 2.086 1.00 0.00 C ATOM 1040 CG PRO A 68 5.050 -10.457 2.122 1.00 0.00 C ATOM 1041 CD PRO A 68 4.497 -11.171 0.896 1.00 0.00 C ATOM 0 HA PRO A 68 3.173 -8.394 0.328 1.00 0.00 H new ATOM 0 HB2 PRO A 68 4.829 -8.341 2.601 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.312 -9.219 2.572 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.128 -10.308 2.057 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.860 -11.014 3.040 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.202 -11.916 0.527 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.572 -11.697 1.134 1.00 0.00 H new ATOM 1049 N CYS A 69 4.634 -6.659 -0.485 1.00 0.00 N ATOM 1050 CA CYS A 69 5.381 -5.468 -0.920 1.00 0.00 C ATOM 1051 C CYS A 69 6.293 -4.946 0.209 1.00 0.00 C ATOM 1052 O CYS A 69 5.982 -5.122 1.390 1.00 0.00 O ATOM 1053 CB CYS A 69 4.370 -4.404 -1.402 1.00 0.00 C ATOM 1054 SG CYS A 69 5.137 -2.808 -1.848 1.00 0.00 S ATOM 0 H CYS A 69 3.640 -6.586 -0.700 1.00 0.00 H new ATOM 0 HA CYS A 69 6.042 -5.720 -1.749 1.00 0.00 H new ATOM 0 HB2 CYS A 69 3.832 -4.793 -2.267 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.632 -4.235 -0.618 1.00 0.00 H new ATOM 0 HG CYS A 69 4.262 -2.060 -2.451 1.00 0.00 H new ATOM 1059 N LYS A 70 7.423 -4.308 -0.152 1.00 0.00 N ATOM 1060 CA LYS A 70 8.534 -3.963 0.747 1.00 0.00 C ATOM 1061 C LYS A 70 8.233 -2.661 1.523 1.00 0.00 C ATOM 1062 O LYS A 70 9.117 -2.131 2.201 1.00 0.00 O ATOM 1063 CB LYS A 70 9.840 -3.847 -0.069 1.00 0.00 C ATOM 1064 CG LYS A 70 11.099 -4.020 0.799 1.00 0.00 C ATOM 1065 CD LYS A 70 12.371 -4.203 -0.040 1.00 0.00 C ATOM 1066 CE LYS A 70 12.295 -5.522 -0.824 1.00 0.00 C ATOM 1067 NZ LYS A 70 13.612 -5.933 -1.340 1.00 0.00 N ATOM 0 H LYS A 70 7.590 -4.009 -1.113 1.00 0.00 H new ATOM 0 HA LYS A 70 8.655 -4.755 1.486 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.840 -4.601 -0.856 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.872 -2.874 -0.559 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.215 -3.148 1.443 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.971 -4.884 1.451 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.486 -3.366 -0.729 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.247 -4.205 0.608 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.898 -6.305 -0.178 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.599 -5.410 -1.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.517 -6.827 -1.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.980 -5.198 -1.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.270 -6.065 -0.546 1.00 0.00 H new ATOM 1081 N ARG A 71 6.999 -2.135 1.410 1.00 0.00 N ATOM 1082 CA ARG A 71 6.593 -0.774 1.799 1.00 0.00 C ATOM 1083 C ARG A 71 5.295 -0.799 2.634 1.00 0.00 C ATOM 1084 O ARG A 71 5.212 -0.152 3.679 1.00 0.00 O ATOM 1085 CB ARG A 71 6.427 0.074 0.519 1.00 0.00 C ATOM 1086 CG ARG A 71 6.959 1.505 0.668 1.00 0.00 C ATOM 1087 CD ARG A 71 7.829 1.913 -0.529 1.00 0.00 C ATOM 1088 NE ARG A 71 7.279 1.380 -1.784 1.00 0.00 N ATOM 1089 CZ ARG A 71 7.993 0.915 -2.825 1.00 0.00 C ATOM 1090 NH1 ARG A 71 9.332 1.012 -2.854 1.00 0.00 N ATOM 1091 NH2 ARG A 71 7.354 0.347 -3.858 1.00 0.00 N ATOM 0 H ARG A 71 6.222 -2.674 1.027 1.00 0.00 H new ATOM 0 HA ARG A 71 7.361 -0.327 2.430 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.948 -0.416 -0.304 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.371 0.112 0.251 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.122 2.197 0.762 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.542 1.583 1.586 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.889 3.000 -0.586 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.845 1.545 -0.387 1.00 0.00 H new ATOM 0 HE ARG A 71 6.263 1.361 -1.874 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.829 1.445 -2.076 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.852 0.652 -3.654 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.337 0.271 -3.849 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.885 -0.009 -4.653 1.00 0.00 H new ATOM 1105 N CYS A 72 4.276 -1.542 2.154 1.00 0.00 N ATOM 1106 CA CYS A 72 2.875 -1.487 2.595 1.00 0.00 C ATOM 1107 C CYS A 72 2.524 -2.698 3.485 1.00 0.00 C ATOM 1108 O CYS A 72 2.071 -2.528 4.618 1.00 0.00 O ATOM 1109 CB CYS A 72 1.957 -1.399 1.356 1.00 0.00 C ATOM 1110 SG CYS A 72 2.659 -0.295 0.094 1.00 0.00 S ATOM 0 H CYS A 72 4.419 -2.228 1.413 1.00 0.00 H new ATOM 0 HA CYS A 72 2.722 -0.597 3.206 1.00 0.00 H new ATOM 0 HB2 CYS A 72 1.815 -2.394 0.934 1.00 0.00 H new ATOM 0 HB3 CYS A 72 0.973 -1.036 1.654 1.00 0.00 H new ATOM 0 HG CYS A 72 2.797 0.899 0.590 1.00 0.00 H new ATOM 1115 N GLN A 73 2.757 -3.922 2.970 1.00 0.00 N ATOM 1116 CA GLN A 73 2.807 -5.172 3.740 1.00 0.00 C ATOM 1117 C GLN A 73 4.054 -5.183 4.663 1.00 0.00 C ATOM 1118 O GLN A 73 5.172 -5.149 4.146 1.00 0.00 O ATOM 1119 CB GLN A 73 2.841 -6.341 2.733 1.00 0.00 C ATOM 1120 CG GLN A 73 1.716 -7.376 2.932 1.00 0.00 C ATOM 1121 CD GLN A 73 1.695 -8.041 4.316 1.00 0.00 C ATOM 1122 OE1 GLN A 73 0.649 -8.522 4.743 1.00 0.00 O ATOM 1123 NE2 GLN A 73 2.828 -8.074 5.029 1.00 0.00 N ATOM 0 H GLN A 73 2.920 -4.068 1.974 1.00 0.00 H new ATOM 0 HA GLN A 73 1.932 -5.267 4.383 1.00 0.00 H new ATOM 0 HB2 GLN A 73 2.775 -5.938 1.722 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.803 -6.847 2.812 1.00 0.00 H new ATOM 0 HG2 GLN A 73 0.757 -6.887 2.764 1.00 0.00 H new ATOM 0 HG3 GLN A 73 1.815 -8.151 2.173 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.682 -7.666 4.649 1.00 0.00 H new ATOM 0 HE22 GLN A 73 2.837 -8.507 5.953 1.00 0.00 H new