USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 521 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 171:sc= 0.298 USER MOD Single : A 13 MET CE :methyl -130:sc= 0 (180deg=-0.0447) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -174:sc= -0.0117 (180deg=-0.044) USER MOD Single : A 27 ASN : amide:sc= 0.28 K(o=0.28,f=-2.1!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 37 LYS NZ :NH3+ 158:sc= 0.822 (180deg=0.531) USER MOD Single : A 46 MET CE :methyl -169:sc= -0.136 (180deg=-0.295) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -167:sc= -0.0086 (180deg=-0.188) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -158:sc= 0.559 (180deg=0.373) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 125 N PRO A 8 -12.925 -0.981 3.552 1.00 0.00 N ATOM 126 CA PRO A 8 -11.662 -0.561 4.133 1.00 0.00 C ATOM 127 C PRO A 8 -10.930 -1.735 4.748 1.00 0.00 C ATOM 128 O PRO A 8 -11.178 -2.054 5.911 1.00 0.00 O ATOM 129 CB PRO A 8 -12.082 0.451 5.211 1.00 0.00 C ATOM 130 CG PRO A 8 -13.471 -0.007 5.668 1.00 0.00 C ATOM 131 CD PRO A 8 -14.064 -0.644 4.412 1.00 0.00 C ATOM 0 HA PRO A 8 -10.977 -0.139 3.398 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -11.376 0.458 6.042 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -12.113 1.464 4.810 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -13.409 -0.721 6.490 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -14.075 0.830 6.018 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -14.641 -1.534 4.662 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -14.742 0.045 3.909 1.00 0.00 H new ATOM 139 N LEU A 9 -10.004 -2.384 4.008 1.00 0.00 N ATOM 140 CA LEU A 9 -9.151 -3.375 4.611 1.00 0.00 C ATOM 141 C LEU A 9 -7.896 -3.443 3.798 1.00 0.00 C ATOM 142 O LEU A 9 -7.927 -3.378 2.570 1.00 0.00 O ATOM 143 CB LEU A 9 -9.741 -4.808 4.772 1.00 0.00 C ATOM 144 CG LEU A 9 -10.299 -5.496 3.500 1.00 0.00 C ATOM 145 CD1 LEU A 9 -10.147 -7.028 3.590 1.00 0.00 C ATOM 146 CD2 LEU A 9 -11.765 -5.121 3.220 1.00 0.00 C ATOM 0 H LEU A 9 -9.846 -2.228 3.012 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.992 -3.044 5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.963 -5.448 5.187 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.543 -4.762 5.509 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.706 -5.129 2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.546 -7.487 2.685 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.092 -7.284 3.692 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.695 -7.398 4.457 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.105 -5.630 2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.385 -5.424 4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.844 -4.043 3.079 1.00 0.00 H new ATOM 158 N SER A 10 -6.758 -3.575 4.510 1.00 0.00 N ATOM 159 CA SER A 10 -5.460 -3.814 3.946 1.00 0.00 C ATOM 160 C SER A 10 -4.617 -4.079 5.162 1.00 0.00 C ATOM 161 O SER A 10 -4.640 -3.306 6.116 1.00 0.00 O ATOM 162 CB SER A 10 -4.885 -2.650 3.087 1.00 0.00 C ATOM 163 OG SER A 10 -5.122 -1.376 3.674 1.00 0.00 O ATOM 0 H SER A 10 -6.742 -3.512 5.528 1.00 0.00 H new ATOM 0 HA SER A 10 -5.489 -4.632 3.226 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.812 -2.793 2.957 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.333 -2.679 2.094 1.00 0.00 H new ATOM 0 HG SER A 10 -4.743 -0.677 3.102 1.00 0.00 H new ATOM 169 N ALA A 11 -3.883 -5.216 5.177 1.00 0.00 N ATOM 170 CA ALA A 11 -3.167 -5.682 6.346 1.00 0.00 C ATOM 171 C ALA A 11 -1.846 -4.976 6.464 1.00 0.00 C ATOM 172 O ALA A 11 -1.406 -4.633 7.561 1.00 0.00 O ATOM 173 CB ALA A 11 -2.891 -7.199 6.285 1.00 0.00 C ATOM 0 H ALA A 11 -3.782 -5.825 4.365 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.799 -5.467 7.208 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.352 -7.507 7.181 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.836 -7.739 6.226 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.289 -7.424 5.404 1.00 0.00 H new ATOM 179 N TYR A 12 -1.195 -4.737 5.302 1.00 0.00 N ATOM 180 CA TYR A 12 0.108 -4.132 5.183 1.00 0.00 C ATOM 181 C TYR A 12 0.057 -2.682 5.598 1.00 0.00 C ATOM 182 O TYR A 12 0.974 -2.184 6.248 1.00 0.00 O ATOM 183 CB TYR A 12 0.617 -4.253 3.713 1.00 0.00 C ATOM 184 CG TYR A 12 1.965 -3.618 3.446 1.00 0.00 C ATOM 185 CD1 TYR A 12 3.026 -3.712 4.365 1.00 0.00 C ATOM 186 CD2 TYR A 12 2.164 -2.891 2.258 1.00 0.00 C ATOM 187 CE1 TYR A 12 4.250 -3.085 4.109 1.00 0.00 C ATOM 188 CE2 TYR A 12 3.387 -2.262 1.999 1.00 0.00 C ATOM 189 CZ TYR A 12 4.432 -2.361 2.926 1.00 0.00 C ATOM 190 OH TYR A 12 5.663 -1.721 2.692 1.00 0.00 O ATOM 0 H TYR A 12 -1.599 -4.979 4.397 1.00 0.00 H new ATOM 0 HA TYR A 12 0.799 -4.656 5.844 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.672 -5.309 3.450 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.119 -3.797 3.051 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.894 -4.274 5.278 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.363 -2.817 1.537 1.00 0.00 H new ATOM 0 HE1 TYR A 12 5.055 -3.160 4.825 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.525 -1.701 1.086 1.00 0.00 H new ATOM 0 HH TYR A 12 5.690 -1.390 1.770 1.00 0.00 H new ATOM 200 N MET A 13 -1.030 -1.969 5.228 1.00 0.00 N ATOM 201 CA MET A 13 -1.114 -0.535 5.365 1.00 0.00 C ATOM 202 C MET A 13 -1.291 -0.120 6.807 1.00 0.00 C ATOM 203 O MET A 13 -0.839 0.951 7.208 1.00 0.00 O ATOM 204 CB MET A 13 -2.254 0.047 4.496 1.00 0.00 C ATOM 205 CG MET A 13 -1.884 1.370 3.805 1.00 0.00 C ATOM 206 SD MET A 13 -0.609 1.201 2.508 1.00 0.00 S ATOM 207 CE MET A 13 -1.667 0.522 1.193 1.00 0.00 C ATOM 0 H MET A 13 -1.866 -2.393 4.827 1.00 0.00 H new ATOM 0 HA MET A 13 -0.167 -0.127 5.011 1.00 0.00 H new ATOM 0 HB2 MET A 13 -2.532 -0.685 3.737 1.00 0.00 H new ATOM 0 HB3 MET A 13 -3.132 0.206 5.122 1.00 0.00 H new ATOM 0 HG2 MET A 13 -2.782 1.800 3.363 1.00 0.00 H new ATOM 0 HG3 MET A 13 -1.530 2.075 4.558 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.200 -0.370 0.775 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.641 0.261 1.608 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.795 1.267 0.408 1.00 0.00 H new ATOM 217 N LEU A 14 -1.927 -0.993 7.627 1.00 0.00 N ATOM 218 CA LEU A 14 -2.142 -0.774 9.042 1.00 0.00 C ATOM 219 C LEU A 14 -0.850 -0.932 9.804 1.00 0.00 C ATOM 220 O LEU A 14 -0.625 -0.249 10.804 1.00 0.00 O ATOM 221 CB LEU A 14 -3.151 -1.781 9.644 1.00 0.00 C ATOM 222 CG LEU A 14 -4.590 -1.670 9.089 1.00 0.00 C ATOM 223 CD1 LEU A 14 -5.442 -2.874 9.539 1.00 0.00 C ATOM 224 CD2 LEU A 14 -5.272 -0.338 9.459 1.00 0.00 C ATOM 0 H LEU A 14 -2.305 -1.881 7.297 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.536 0.238 9.135 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.785 -2.792 9.464 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.182 -1.640 10.724 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.512 -1.684 8.002 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.451 -2.776 9.138 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.993 -3.796 9.170 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.486 -2.902 10.628 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.279 -0.317 9.043 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.326 -0.246 10.544 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.694 0.492 9.053 1.00 0.00 H new ATOM 236 N TRP A 15 0.040 -1.833 9.326 1.00 0.00 N ATOM 237 CA TRP A 15 1.321 -2.117 9.930 1.00 0.00 C ATOM 238 C TRP A 15 2.274 -0.962 9.708 1.00 0.00 C ATOM 239 O TRP A 15 3.126 -0.695 10.553 1.00 0.00 O ATOM 240 CB TRP A 15 1.930 -3.433 9.369 1.00 0.00 C ATOM 241 CG TRP A 15 3.278 -3.846 9.947 1.00 0.00 C ATOM 242 CD1 TRP A 15 3.567 -4.565 11.072 1.00 0.00 C ATOM 243 CD2 TRP A 15 4.542 -3.431 9.397 1.00 0.00 C ATOM 244 NE1 TRP A 15 4.928 -4.626 11.267 1.00 0.00 N ATOM 245 CE2 TRP A 15 5.547 -3.918 10.260 1.00 0.00 C ATOM 246 CE3 TRP A 15 4.861 -2.675 8.272 1.00 0.00 C ATOM 247 CZ2 TRP A 15 6.889 -3.638 10.022 1.00 0.00 C ATOM 248 CZ3 TRP A 15 6.209 -2.375 8.048 1.00 0.00 C ATOM 249 CH2 TRP A 15 7.207 -2.839 8.915 1.00 0.00 C ATOM 0 H TRP A 15 -0.137 -2.386 8.487 1.00 0.00 H new ATOM 0 HA TRP A 15 1.166 -2.248 11.001 1.00 0.00 H new ATOM 0 HB2 TRP A 15 1.220 -4.241 9.543 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.037 -3.329 8.289 1.00 0.00 H new ATOM 0 HD1 TRP A 15 2.831 -5.021 11.717 1.00 0.00 H new ATOM 0 HE1 TRP A 15 5.399 -5.113 12.029 1.00 0.00 H new ATOM 0 HE3 TRP A 15 4.093 -2.332 7.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 7.662 -4.024 10.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 6.485 -1.776 7.193 1.00 0.00 H new ATOM 0 HH2 TRP A 15 8.238 -2.577 8.727 1.00 0.00 H new ATOM 260 N LEU A 16 2.135 -0.233 8.573 1.00 0.00 N ATOM 261 CA LEU A 16 2.981 0.894 8.237 1.00 0.00 C ATOM 262 C LEU A 16 2.716 2.069 9.141 1.00 0.00 C ATOM 263 O LEU A 16 3.614 2.874 9.370 1.00 0.00 O ATOM 264 CB LEU A 16 2.788 1.389 6.781 1.00 0.00 C ATOM 265 CG LEU A 16 3.332 0.426 5.701 1.00 0.00 C ATOM 266 CD1 LEU A 16 2.834 0.840 4.304 1.00 0.00 C ATOM 267 CD2 LEU A 16 4.870 0.331 5.719 1.00 0.00 C ATOM 0 H LEU A 16 1.420 -0.428 7.872 1.00 0.00 H new ATOM 0 HA LEU A 16 3.999 0.524 8.360 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.725 1.551 6.603 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.281 2.355 6.670 1.00 0.00 H new ATOM 0 HG LEU A 16 2.946 -0.566 5.936 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.228 0.150 3.558 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.745 0.813 4.283 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.177 1.850 4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.201 -0.358 4.942 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.298 1.317 5.536 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.201 -0.033 6.692 1.00 0.00 H new ATOM 279 N ASN A 17 1.483 2.177 9.693 1.00 0.00 N ATOM 280 CA ASN A 17 1.104 3.240 10.602 1.00 0.00 C ATOM 281 C ASN A 17 1.670 2.971 11.972 1.00 0.00 C ATOM 282 O ASN A 17 1.971 3.902 12.716 1.00 0.00 O ATOM 283 CB ASN A 17 -0.430 3.393 10.758 1.00 0.00 C ATOM 284 CG ASN A 17 -1.048 3.833 9.423 1.00 0.00 C ATOM 285 OD1 ASN A 17 -0.534 4.743 8.763 1.00 0.00 O ATOM 286 ND2 ASN A 17 -2.182 3.177 9.033 1.00 0.00 N ATOM 0 H ASN A 17 0.731 1.514 9.506 1.00 0.00 H new ATOM 0 HA ASN A 17 1.502 4.158 10.170 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.868 2.448 11.078 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.655 4.127 11.532 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.644 3.432 8.160 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.566 2.432 9.615 1.00 0.00 H new ATOM 293 N SER A 18 1.839 1.676 12.327 1.00 0.00 N ATOM 294 CA SER A 18 2.349 1.243 13.607 1.00 0.00 C ATOM 295 C SER A 18 3.842 1.474 13.656 1.00 0.00 C ATOM 296 O SER A 18 4.366 2.001 14.637 1.00 0.00 O ATOM 297 CB SER A 18 2.033 -0.258 13.850 1.00 0.00 C ATOM 298 OG SER A 18 2.323 -0.666 15.184 1.00 0.00 O ATOM 0 H SER A 18 1.613 0.902 11.703 1.00 0.00 H new ATOM 0 HA SER A 18 1.863 1.822 14.393 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.980 -0.444 13.637 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.611 -0.865 13.154 1.00 0.00 H new ATOM 0 HG SER A 18 2.107 -1.616 15.290 1.00 0.00 H new ATOM 304 N ALA A 19 4.554 1.098 12.568 1.00 0.00 N ATOM 305 CA ALA A 19 5.993 1.168 12.478 1.00 0.00 C ATOM 306 C ALA A 19 6.457 2.524 12.003 1.00 0.00 C ATOM 307 O ALA A 19 7.642 2.712 11.733 1.00 0.00 O ATOM 308 CB ALA A 19 6.534 0.117 11.486 1.00 0.00 C ATOM 0 H ALA A 19 4.116 0.733 11.722 1.00 0.00 H new ATOM 0 HA ALA A 19 6.373 0.979 13.482 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.620 0.190 11.436 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.252 -0.881 11.823 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.112 0.299 10.498 1.00 0.00 H new ATOM 314 N ARG A 20 5.534 3.511 11.900 1.00 0.00 N ATOM 315 CA ARG A 20 5.773 4.807 11.304 1.00 0.00 C ATOM 316 C ARG A 20 6.749 5.620 12.110 1.00 0.00 C ATOM 317 O ARG A 20 7.612 6.288 11.548 1.00 0.00 O ATOM 318 CB ARG A 20 4.457 5.609 11.150 1.00 0.00 C ATOM 319 CG ARG A 20 4.537 6.800 10.179 1.00 0.00 C ATOM 320 CD ARG A 20 3.143 7.344 9.824 1.00 0.00 C ATOM 321 NE ARG A 20 3.260 8.477 8.839 1.00 0.00 N ATOM 322 CZ ARG A 20 3.315 9.796 9.204 1.00 0.00 C ATOM 323 NH1 ARG A 20 3.381 10.161 10.518 1.00 0.00 N ATOM 324 NH2 ARG A 20 3.294 10.766 8.240 1.00 0.00 N ATOM 0 H ARG A 20 4.580 3.403 12.246 1.00 0.00 H new ATOM 0 HA ARG A 20 6.198 4.619 10.318 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.673 4.932 10.809 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.156 5.977 12.131 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.134 7.595 10.627 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.050 6.492 9.268 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.531 6.547 9.401 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.639 7.688 10.727 1.00 0.00 H new ATOM 0 HE ARG A 20 3.301 8.250 7.845 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.390 9.447 11.246 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.421 11.148 10.772 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.238 10.505 7.255 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.335 11.750 8.506 1.00 0.00 H new ATOM 338 N GLU A 21 6.641 5.551 13.458 1.00 0.00 N ATOM 339 CA GLU A 21 7.456 6.293 14.395 1.00 0.00 C ATOM 340 C GLU A 21 8.893 5.841 14.306 1.00 0.00 C ATOM 341 O GLU A 21 9.807 6.659 14.203 1.00 0.00 O ATOM 342 CB GLU A 21 6.919 6.110 15.840 1.00 0.00 C ATOM 343 CG GLU A 21 7.516 7.032 16.927 1.00 0.00 C ATOM 344 CD GLU A 21 8.902 6.575 17.383 1.00 0.00 C ATOM 345 OE1 GLU A 21 9.040 5.381 17.762 1.00 0.00 O ATOM 346 OE2 GLU A 21 9.840 7.415 17.363 1.00 0.00 O ATOM 0 H GLU A 21 5.956 4.952 13.918 1.00 0.00 H new ATOM 0 HA GLU A 21 7.407 7.352 14.140 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.839 6.260 15.823 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.093 5.076 16.139 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.581 8.049 16.541 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.845 7.059 17.785 1.00 0.00 H new ATOM 353 N SER A 22 9.107 4.506 14.325 1.00 0.00 N ATOM 354 CA SER A 22 10.405 3.883 14.414 1.00 0.00 C ATOM 355 C SER A 22 11.239 4.124 13.182 1.00 0.00 C ATOM 356 O SER A 22 12.424 4.432 13.287 1.00 0.00 O ATOM 357 CB SER A 22 10.287 2.355 14.618 1.00 0.00 C ATOM 358 OG SER A 22 9.444 2.068 15.727 1.00 0.00 O ATOM 0 H SER A 22 8.344 3.830 14.276 1.00 0.00 H new ATOM 0 HA SER A 22 10.892 4.340 15.275 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.885 1.891 13.717 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.275 1.926 14.783 1.00 0.00 H new ATOM 0 HG SER A 22 9.376 1.097 15.844 1.00 0.00 H new ATOM 364 N ILE A 23 10.622 4.004 11.982 1.00 0.00 N ATOM 365 CA ILE A 23 11.282 4.084 10.694 1.00 0.00 C ATOM 366 C ILE A 23 11.825 5.476 10.449 1.00 0.00 C ATOM 367 O ILE A 23 12.882 5.622 9.836 1.00 0.00 O ATOM 368 CB ILE A 23 10.353 3.599 9.574 1.00 0.00 C ATOM 369 CG1 ILE A 23 10.155 2.065 9.727 1.00 0.00 C ATOM 370 CG2 ILE A 23 10.886 3.957 8.165 1.00 0.00 C ATOM 371 CD1 ILE A 23 9.103 1.458 8.792 1.00 0.00 C ATOM 0 H ILE A 23 9.618 3.844 11.901 1.00 0.00 H new ATOM 0 HA ILE A 23 12.141 3.414 10.698 1.00 0.00 H new ATOM 0 HB ILE A 23 9.395 4.111 9.669 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.109 1.570 9.548 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.873 1.850 10.758 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.191 3.591 7.409 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.982 5.039 8.076 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.861 3.493 8.016 1.00 0.00 H new ATOM 0 HD11 ILE A 23 9.034 0.385 8.970 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.135 1.921 8.984 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.391 1.636 7.756 1.00 0.00 H new ATOM 383 N LYS A 24 11.141 6.528 10.964 1.00 0.00 N ATOM 384 CA LYS A 24 11.548 7.912 10.820 1.00 0.00 C ATOM 385 C LYS A 24 12.863 8.194 11.500 1.00 0.00 C ATOM 386 O LYS A 24 13.699 8.906 10.948 1.00 0.00 O ATOM 387 CB LYS A 24 10.518 8.895 11.431 1.00 0.00 C ATOM 388 CG LYS A 24 9.201 8.996 10.641 1.00 0.00 C ATOM 389 CD LYS A 24 9.270 9.805 9.330 1.00 0.00 C ATOM 390 CE LYS A 24 9.609 11.298 9.494 1.00 0.00 C ATOM 391 NZ LYS A 24 8.677 11.974 10.430 1.00 0.00 N ATOM 0 H LYS A 24 10.279 6.416 11.497 1.00 0.00 H new ATOM 0 HA LYS A 24 11.631 8.064 9.744 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.294 8.583 12.451 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.969 9.885 11.493 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.861 7.987 10.407 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.446 9.446 11.285 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.017 9.349 8.680 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.310 9.721 8.820 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.630 11.401 9.860 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.568 11.789 8.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.872 12.995 10.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.697 11.811 10.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.808 11.590 11.388 1.00 0.00 H new ATOM 405 N ARG A 25 13.066 7.656 12.725 1.00 0.00 N ATOM 406 CA ARG A 25 14.224 7.979 13.528 1.00 0.00 C ATOM 407 C ARG A 25 15.402 7.122 13.151 1.00 0.00 C ATOM 408 O ARG A 25 16.543 7.574 13.237 1.00 0.00 O ATOM 409 CB ARG A 25 13.960 7.843 15.044 1.00 0.00 C ATOM 410 CG ARG A 25 12.729 8.650 15.492 1.00 0.00 C ATOM 411 CD ARG A 25 12.690 8.964 16.997 1.00 0.00 C ATOM 412 NE ARG A 25 13.744 9.997 17.302 1.00 0.00 N ATOM 413 CZ ARG A 25 14.773 9.827 18.189 1.00 0.00 C ATOM 414 NH1 ARG A 25 14.918 8.669 18.896 1.00 0.00 N ATOM 415 NH2 ARG A 25 15.673 10.841 18.366 1.00 0.00 N ATOM 0 H ARG A 25 12.426 6.994 13.164 1.00 0.00 H new ATOM 0 HA ARG A 25 14.448 9.025 13.320 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.814 6.792 15.293 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.836 8.183 15.596 1.00 0.00 H new ATOM 0 HG2 ARG A 25 12.702 9.588 14.937 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.829 8.096 15.225 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.705 9.334 17.280 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.869 8.059 17.577 1.00 0.00 H new ATOM 0 HE ARG A 25 13.687 10.889 16.811 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.252 7.907 18.769 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.693 8.565 19.551 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.573 11.710 17.841 1.00 0.00 H new ATOM 0 HH22 ARG A 25 16.445 10.729 19.023 1.00 0.00 H new ATOM 429 N GLU A 26 15.149 5.867 12.707 1.00 0.00 N ATOM 430 CA GLU A 26 16.178 4.937 12.300 1.00 0.00 C ATOM 431 C GLU A 26 16.787 5.358 10.989 1.00 0.00 C ATOM 432 O GLU A 26 18.005 5.501 10.885 1.00 0.00 O ATOM 433 CB GLU A 26 15.638 3.494 12.119 1.00 0.00 C ATOM 434 CG GLU A 26 15.301 2.778 13.441 1.00 0.00 C ATOM 435 CD GLU A 26 16.579 2.496 14.230 1.00 0.00 C ATOM 436 OE1 GLU A 26 17.445 1.746 13.704 1.00 0.00 O ATOM 437 OE2 GLU A 26 16.703 3.023 15.367 1.00 0.00 O ATOM 0 H GLU A 26 14.206 5.487 12.628 1.00 0.00 H new ATOM 0 HA GLU A 26 16.920 4.945 13.099 1.00 0.00 H new ATOM 0 HB2 GLU A 26 14.743 3.528 11.498 1.00 0.00 H new ATOM 0 HB3 GLU A 26 16.379 2.905 11.578 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.627 3.395 14.035 1.00 0.00 H new ATOM 0 HG3 GLU A 26 14.779 1.844 13.234 1.00 0.00 H new ATOM 444 N ASN A 27 15.947 5.554 9.947 1.00 0.00 N ATOM 445 CA ASN A 27 16.419 5.796 8.601 1.00 0.00 C ATOM 446 C ASN A 27 16.653 7.286 8.460 1.00 0.00 C ATOM 447 O ASN A 27 15.838 8.054 8.967 1.00 0.00 O ATOM 448 CB ASN A 27 15.427 5.338 7.500 1.00 0.00 C ATOM 449 CG ASN A 27 15.326 3.805 7.468 1.00 0.00 C ATOM 450 OD1 ASN A 27 15.985 3.153 6.648 1.00 0.00 O ATOM 451 ND2 ASN A 27 14.483 3.227 8.374 1.00 0.00 N ATOM 0 H ASN A 27 14.931 5.545 10.034 1.00 0.00 H new ATOM 0 HA ASN A 27 17.328 5.212 8.458 1.00 0.00 H new ATOM 0 HB2 ASN A 27 14.443 5.769 7.687 1.00 0.00 H new ATOM 0 HB3 ASN A 27 15.757 5.707 6.529 1.00 0.00 H new ATOM 0 HD21 ASN A 27 14.375 2.213 8.395 1.00 0.00 H new ATOM 0 HD22 ASN A 27 13.962 3.809 9.029 1.00 0.00 H new ATOM 458 N PRO A 28 17.737 7.750 7.834 1.00 0.00 N ATOM 459 CA PRO A 28 18.197 9.126 7.952 1.00 0.00 C ATOM 460 C PRO A 28 17.427 10.066 7.049 1.00 0.00 C ATOM 461 O PRO A 28 17.834 10.273 5.906 1.00 0.00 O ATOM 462 CB PRO A 28 19.678 9.057 7.532 1.00 0.00 C ATOM 463 CG PRO A 28 19.757 7.860 6.577 1.00 0.00 C ATOM 464 CD PRO A 28 18.726 6.899 7.167 1.00 0.00 C ATOM 0 HA PRO A 28 18.052 9.517 8.959 1.00 0.00 H new ATOM 0 HB2 PRO A 28 19.993 9.977 7.040 1.00 0.00 H new ATOM 0 HB3 PRO A 28 20.328 8.918 8.396 1.00 0.00 H new ATOM 0 HG2 PRO A 28 19.511 8.141 5.553 1.00 0.00 H new ATOM 0 HG3 PRO A 28 20.755 7.422 6.556 1.00 0.00 H new ATOM 0 HD2 PRO A 28 18.262 6.294 6.388 1.00 0.00 H new ATOM 0 HD3 PRO A 28 19.190 6.209 7.872 1.00 0.00 H new ATOM 472 N GLY A 29 16.325 10.671 7.552 1.00 0.00 N ATOM 473 CA GLY A 29 15.591 11.701 6.851 1.00 0.00 C ATOM 474 C GLY A 29 14.810 11.107 5.721 1.00 0.00 C ATOM 475 O GLY A 29 14.887 11.572 4.585 1.00 0.00 O ATOM 0 H GLY A 29 15.933 10.442 8.465 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.917 12.209 7.540 1.00 0.00 H new ATOM 0 HA3 GLY A 29 16.282 12.453 6.469 1.00 0.00 H new ATOM 479 N ILE A 30 14.043 10.037 6.023 1.00 0.00 N ATOM 480 CA ILE A 30 13.330 9.269 5.036 1.00 0.00 C ATOM 481 C ILE A 30 12.010 9.950 4.767 1.00 0.00 C ATOM 482 O ILE A 30 11.409 10.539 5.666 1.00 0.00 O ATOM 483 CB ILE A 30 13.182 7.810 5.468 1.00 0.00 C ATOM 484 CG1 ILE A 30 12.706 6.910 4.304 1.00 0.00 C ATOM 485 CG2 ILE A 30 12.308 7.685 6.740 1.00 0.00 C ATOM 486 CD1 ILE A 30 12.781 5.412 4.603 1.00 0.00 C ATOM 0 H ILE A 30 13.914 9.696 6.976 1.00 0.00 H new ATOM 0 HA ILE A 30 13.892 9.233 4.103 1.00 0.00 H new ATOM 0 HB ILE A 30 14.170 7.438 5.740 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.677 7.169 4.056 1.00 0.00 H new ATOM 0 HG13 ILE A 30 13.310 7.124 3.422 1.00 0.00 H new ATOM 0 HG21 ILE A 30 12.222 6.635 7.021 1.00 0.00 H new ATOM 0 HG22 ILE A 30 12.770 8.242 7.555 1.00 0.00 H new ATOM 0 HG23 ILE A 30 11.316 8.089 6.541 1.00 0.00 H new ATOM 0 HD11 ILE A 30 12.430 4.850 3.737 1.00 0.00 H new ATOM 0 HD12 ILE A 30 13.813 5.136 4.821 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.154 5.181 5.464 1.00 0.00 H new ATOM 498 N LYS A 31 11.543 9.901 3.494 1.00 0.00 N ATOM 499 CA LYS A 31 10.283 10.475 3.088 1.00 0.00 C ATOM 500 C LYS A 31 9.248 9.408 3.297 1.00 0.00 C ATOM 501 O LYS A 31 9.568 8.224 3.346 1.00 0.00 O ATOM 502 CB LYS A 31 10.218 10.941 1.609 1.00 0.00 C ATOM 503 CG LYS A 31 11.081 12.177 1.281 1.00 0.00 C ATOM 504 CD LYS A 31 12.583 11.927 1.040 1.00 0.00 C ATOM 505 CE LYS A 31 12.874 11.134 -0.243 1.00 0.00 C ATOM 506 NZ LYS A 31 14.331 10.954 -0.450 1.00 0.00 N ATOM 0 H LYS A 31 12.052 9.453 2.732 1.00 0.00 H new ATOM 0 HA LYS A 31 10.125 11.376 3.681 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.532 10.116 0.969 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.181 11.163 1.358 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.668 12.654 0.392 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.981 12.889 2.100 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.099 12.886 0.990 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.995 11.387 1.893 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.390 10.159 -0.187 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.445 11.655 -1.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.493 10.415 -1.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.788 11.885 -0.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.735 10.436 0.356 1.00 0.00 H new ATOM 520 N VAL A 32 7.972 9.824 3.438 1.00 0.00 N ATOM 521 CA VAL A 32 6.877 8.986 3.874 1.00 0.00 C ATOM 522 C VAL A 32 6.444 7.997 2.817 1.00 0.00 C ATOM 523 O VAL A 32 5.832 6.979 3.133 1.00 0.00 O ATOM 524 CB VAL A 32 5.689 9.814 4.339 1.00 0.00 C ATOM 525 CG1 VAL A 32 6.078 10.521 5.656 1.00 0.00 C ATOM 526 CG2 VAL A 32 5.265 10.826 3.253 1.00 0.00 C ATOM 0 H VAL A 32 7.685 10.783 3.242 1.00 0.00 H new ATOM 0 HA VAL A 32 7.255 8.414 4.721 1.00 0.00 H new ATOM 0 HB VAL A 32 4.829 9.169 4.517 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.239 11.121 6.008 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.331 9.774 6.409 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.939 11.167 5.482 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.414 11.406 3.609 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.096 11.497 3.036 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.985 10.290 2.346 1.00 0.00 H new ATOM 536 N THR A 33 6.786 8.259 1.534 1.00 0.00 N ATOM 537 CA THR A 33 6.494 7.386 0.423 1.00 0.00 C ATOM 538 C THR A 33 7.485 6.241 0.397 1.00 0.00 C ATOM 539 O THR A 33 7.155 5.133 -0.023 1.00 0.00 O ATOM 540 CB THR A 33 6.520 8.133 -0.905 1.00 0.00 C ATOM 541 OG1 THR A 33 7.689 8.942 -1.027 1.00 0.00 O ATOM 542 CG2 THR A 33 5.269 9.036 -0.979 1.00 0.00 C ATOM 0 H THR A 33 7.282 9.107 1.259 1.00 0.00 H new ATOM 0 HA THR A 33 5.486 6.995 0.560 1.00 0.00 H new ATOM 0 HB THR A 33 6.528 7.406 -1.717 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.677 9.407 -1.890 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.269 9.580 -1.923 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.372 8.421 -0.914 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.283 9.745 -0.151 1.00 0.00 H new ATOM 550 N GLU A 34 8.725 6.494 0.879 1.00 0.00 N ATOM 551 CA GLU A 34 9.826 5.559 0.841 1.00 0.00 C ATOM 552 C GLU A 34 9.788 4.629 2.029 1.00 0.00 C ATOM 553 O GLU A 34 10.575 3.687 2.113 1.00 0.00 O ATOM 554 CB GLU A 34 11.190 6.289 0.839 1.00 0.00 C ATOM 555 CG GLU A 34 11.352 7.371 -0.250 1.00 0.00 C ATOM 556 CD GLU A 34 11.381 6.772 -1.657 1.00 0.00 C ATOM 557 OE1 GLU A 34 10.303 6.361 -2.160 1.00 0.00 O ATOM 558 OE2 GLU A 34 12.490 6.739 -2.253 1.00 0.00 O ATOM 0 H GLU A 34 8.972 7.384 1.312 1.00 0.00 H new ATOM 0 HA GLU A 34 9.719 4.988 -0.081 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.338 6.752 1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 34 11.980 5.549 0.714 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.531 8.084 -0.177 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.273 7.927 -0.074 1.00 0.00 H new ATOM 565 N VAL A 35 8.830 4.851 2.964 1.00 0.00 N ATOM 566 CA VAL A 35 8.556 3.990 4.096 1.00 0.00 C ATOM 567 C VAL A 35 7.898 2.726 3.588 1.00 0.00 C ATOM 568 O VAL A 35 8.051 1.657 4.173 1.00 0.00 O ATOM 569 CB VAL A 35 7.673 4.688 5.134 1.00 0.00 C ATOM 570 CG1 VAL A 35 7.265 3.749 6.291 1.00 0.00 C ATOM 571 CG2 VAL A 35 8.447 5.904 5.684 1.00 0.00 C ATOM 0 H VAL A 35 8.218 5.666 2.931 1.00 0.00 H new ATOM 0 HA VAL A 35 9.493 3.745 4.597 1.00 0.00 H new ATOM 0 HB VAL A 35 6.748 5.001 4.649 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.640 4.294 6.999 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.708 2.901 5.892 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.159 3.388 6.800 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.837 6.418 6.427 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.374 5.566 6.147 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.678 6.588 4.867 1.00 0.00 H new ATOM 581 N ALA A 36 7.184 2.815 2.439 1.00 0.00 N ATOM 582 CA ALA A 36 6.529 1.691 1.813 1.00 0.00 C ATOM 583 C ALA A 36 7.510 0.801 1.084 1.00 0.00 C ATOM 584 O ALA A 36 7.167 -0.322 0.725 1.00 0.00 O ATOM 585 CB ALA A 36 5.463 2.142 0.799 1.00 0.00 C ATOM 0 H ALA A 36 7.059 3.691 1.932 1.00 0.00 H new ATOM 0 HA ALA A 36 6.059 1.137 2.625 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.994 1.266 0.350 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.706 2.738 1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.933 2.741 0.019 1.00 0.00 H new ATOM 591 N LYS A 37 8.761 1.273 0.863 1.00 0.00 N ATOM 592 CA LYS A 37 9.818 0.481 0.276 1.00 0.00 C ATOM 593 C LYS A 37 10.481 -0.279 1.393 1.00 0.00 C ATOM 594 O LYS A 37 10.542 -1.507 1.371 1.00 0.00 O ATOM 595 CB LYS A 37 10.857 1.357 -0.481 1.00 0.00 C ATOM 596 CG LYS A 37 11.920 0.595 -1.305 1.00 0.00 C ATOM 597 CD LYS A 37 13.133 0.073 -0.510 1.00 0.00 C ATOM 598 CE LYS A 37 14.165 -0.658 -1.380 1.00 0.00 C ATOM 599 NZ LYS A 37 15.261 -1.210 -0.546 1.00 0.00 N ATOM 0 H LYS A 37 9.046 2.224 1.096 1.00 0.00 H new ATOM 0 HA LYS A 37 9.396 -0.198 -0.465 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.318 2.025 -1.152 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.372 1.984 0.247 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.437 -0.252 -1.793 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.282 1.254 -2.094 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.619 0.912 -0.011 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.783 -0.603 0.270 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.679 -1.464 -1.929 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.576 0.029 -2.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.728 -1.987 -1.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.955 -0.462 -0.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.870 -1.569 0.348 1.00 0.00 H new ATOM 613 N ARG A 38 11.003 0.460 2.401 1.00 0.00 N ATOM 614 CA ARG A 38 11.863 -0.058 3.445 1.00 0.00 C ATOM 615 C ARG A 38 11.108 -0.935 4.406 1.00 0.00 C ATOM 616 O ARG A 38 11.661 -1.890 4.950 1.00 0.00 O ATOM 617 CB ARG A 38 12.528 1.088 4.246 1.00 0.00 C ATOM 618 CG ARG A 38 13.497 1.938 3.401 1.00 0.00 C ATOM 619 CD ARG A 38 14.826 1.241 3.069 1.00 0.00 C ATOM 620 NE ARG A 38 15.661 1.181 4.317 1.00 0.00 N ATOM 621 CZ ARG A 38 16.675 0.282 4.509 1.00 0.00 C ATOM 622 NH1 ARG A 38 16.874 -0.759 3.649 1.00 0.00 N ATOM 623 NH2 ARG A 38 17.499 0.440 5.588 1.00 0.00 N ATOM 0 H ARG A 38 10.821 1.459 2.496 1.00 0.00 H new ATOM 0 HA ARG A 38 12.629 -0.650 2.944 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.752 1.734 4.656 1.00 0.00 H new ATOM 0 HB3 ARG A 38 13.070 0.664 5.092 1.00 0.00 H new ATOM 0 HG2 ARG A 38 13.002 2.214 2.470 1.00 0.00 H new ATOM 0 HG3 ARG A 38 13.710 2.864 3.935 1.00 0.00 H new ATOM 0 HD2 ARG A 38 14.642 0.236 2.689 1.00 0.00 H new ATOM 0 HD3 ARG A 38 15.354 1.786 2.287 1.00 0.00 H new ATOM 0 HE ARG A 38 15.461 1.848 5.063 1.00 0.00 H new ATOM 0 HH11 ARG A 38 16.260 -0.879 2.843 1.00 0.00 H new ATOM 0 HH12 ARG A 38 17.636 -1.417 3.812 1.00 0.00 H new ATOM 0 HH21 ARG A 38 17.352 1.217 6.232 1.00 0.00 H new ATOM 0 HH22 ARG A 38 18.261 -0.219 5.749 1.00 0.00 H new ATOM 637 N GLY A 39 9.806 -0.643 4.615 1.00 0.00 N ATOM 638 CA GLY A 39 8.950 -1.400 5.493 1.00 0.00 C ATOM 639 C GLY A 39 8.402 -2.619 4.809 1.00 0.00 C ATOM 640 O GLY A 39 7.775 -3.456 5.452 1.00 0.00 O ATOM 0 H GLY A 39 9.334 0.140 4.163 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.509 -1.699 6.379 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.127 -0.771 5.832 1.00 0.00 H new ATOM 644 N GLY A 40 8.642 -2.766 3.484 1.00 0.00 N ATOM 645 CA GLY A 40 8.201 -3.902 2.708 1.00 0.00 C ATOM 646 C GLY A 40 9.136 -5.055 2.912 1.00 0.00 C ATOM 647 O GLY A 40 8.751 -6.215 2.775 1.00 0.00 O ATOM 0 H GLY A 40 9.157 -2.077 2.936 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.191 -4.185 3.004 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.161 -3.638 1.651 1.00 0.00 H new ATOM 651 N GLU A 41 10.401 -4.740 3.275 1.00 0.00 N ATOM 652 CA GLU A 41 11.448 -5.689 3.561 1.00 0.00 C ATOM 653 C GLU A 41 11.168 -6.341 4.894 1.00 0.00 C ATOM 654 O GLU A 41 11.387 -7.538 5.077 1.00 0.00 O ATOM 655 CB GLU A 41 12.828 -4.982 3.621 1.00 0.00 C ATOM 656 CG GLU A 41 13.203 -4.286 2.294 1.00 0.00 C ATOM 657 CD GLU A 41 14.506 -3.494 2.436 1.00 0.00 C ATOM 658 OE1 GLU A 41 15.518 -4.087 2.893 1.00 0.00 O ATOM 659 OE2 GLU A 41 14.513 -2.286 2.071 1.00 0.00 O ATOM 0 H GLU A 41 10.710 -3.773 3.374 1.00 0.00 H new ATOM 0 HA GLU A 41 11.472 -6.437 2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.818 -4.244 4.423 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.596 -5.714 3.871 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.311 -5.032 1.506 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.398 -3.617 1.991 1.00 0.00 H new ATOM 666 N LEU A 42 10.647 -5.538 5.850 1.00 0.00 N ATOM 667 CA LEU A 42 10.378 -5.936 7.209 1.00 0.00 C ATOM 668 C LEU A 42 9.057 -6.656 7.313 1.00 0.00 C ATOM 669 O LEU A 42 8.885 -7.506 8.183 1.00 0.00 O ATOM 670 CB LEU A 42 10.315 -4.705 8.142 1.00 0.00 C ATOM 671 CG LEU A 42 11.627 -3.884 8.207 1.00 0.00 C ATOM 672 CD1 LEU A 42 11.403 -2.546 8.940 1.00 0.00 C ATOM 673 CD2 LEU A 42 12.788 -4.675 8.844 1.00 0.00 C ATOM 0 H LEU A 42 10.401 -4.565 5.668 1.00 0.00 H new ATOM 0 HA LEU A 42 11.190 -6.598 7.510 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.508 -4.052 7.808 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.059 -5.039 9.148 1.00 0.00 H new ATOM 0 HG LEU A 42 11.918 -3.671 7.178 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.339 -1.988 8.973 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.651 -1.962 8.410 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.061 -2.741 9.957 1.00 0.00 H new ATOM 0 HD21 LEU A 42 13.683 -4.054 8.865 1.00 0.00 H new ATOM 0 HD22 LEU A 42 12.520 -4.959 9.862 1.00 0.00 H new ATOM 0 HD23 LEU A 42 12.983 -5.572 8.256 1.00 0.00 H new ATOM 685 N TRP A 43 8.093 -6.335 6.417 1.00 0.00 N ATOM 686 CA TRP A 43 6.774 -6.934 6.375 1.00 0.00 C ATOM 687 C TRP A 43 6.867 -8.350 5.868 1.00 0.00 C ATOM 688 O TRP A 43 6.107 -9.216 6.300 1.00 0.00 O ATOM 689 CB TRP A 43 5.818 -6.124 5.452 1.00 0.00 C ATOM 690 CG TRP A 43 4.439 -6.713 5.168 1.00 0.00 C ATOM 691 CD1 TRP A 43 3.977 -7.223 3.986 1.00 0.00 C ATOM 692 CD2 TRP A 43 3.356 -6.836 6.111 1.00 0.00 C ATOM 693 NE1 TRP A 43 2.677 -7.651 4.125 1.00 0.00 N ATOM 694 CE2 TRP A 43 2.272 -7.421 5.419 1.00 0.00 C ATOM 695 CE3 TRP A 43 3.245 -6.489 7.453 1.00 0.00 C ATOM 696 CZ2 TRP A 43 1.060 -7.665 6.056 1.00 0.00 C ATOM 697 CZ3 TRP A 43 2.021 -6.735 8.093 1.00 0.00 C ATOM 698 CH2 TRP A 43 0.945 -7.313 7.407 1.00 0.00 C ATOM 0 H TRP A 43 8.234 -5.631 5.692 1.00 0.00 H new ATOM 0 HA TRP A 43 6.372 -6.927 7.388 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.677 -5.139 5.897 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.322 -5.973 4.497 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.551 -7.281 3.073 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.107 -8.070 3.390 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.073 -6.045 7.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 0.233 -8.112 5.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.906 -6.474 9.135 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.015 -7.490 7.926 1.00 0.00 H new ATOM 709 N ARG A 44 7.815 -8.609 4.936 1.00 0.00 N ATOM 710 CA ARG A 44 7.997 -9.896 4.310 1.00 0.00 C ATOM 711 C ARG A 44 8.472 -10.902 5.327 1.00 0.00 C ATOM 712 O ARG A 44 7.951 -12.015 5.391 1.00 0.00 O ATOM 713 CB ARG A 44 8.978 -9.811 3.112 1.00 0.00 C ATOM 714 CG ARG A 44 9.025 -11.066 2.217 1.00 0.00 C ATOM 715 CD ARG A 44 10.071 -12.116 2.631 1.00 0.00 C ATOM 716 NE ARG A 44 9.867 -13.363 1.817 1.00 0.00 N ATOM 717 CZ ARG A 44 9.003 -14.364 2.177 1.00 0.00 C ATOM 718 NH1 ARG A 44 8.264 -14.286 3.323 1.00 0.00 N ATOM 719 NH2 ARG A 44 8.878 -15.460 1.371 1.00 0.00 N ATOM 0 H ARG A 44 8.474 -7.903 4.608 1.00 0.00 H new ATOM 0 HA ARG A 44 7.035 -10.223 3.916 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.703 -8.955 2.497 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.980 -9.619 3.495 1.00 0.00 H new ATOM 0 HG2 ARG A 44 8.041 -11.534 2.220 1.00 0.00 H new ATOM 0 HG3 ARG A 44 9.228 -10.756 1.192 1.00 0.00 H new ATOM 0 HD2 ARG A 44 11.077 -11.726 2.475 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.977 -12.341 3.693 1.00 0.00 H new ATOM 0 HE ARG A 44 10.399 -13.470 0.953 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.349 -13.471 3.930 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.627 -15.043 3.572 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.424 -15.527 0.512 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.238 -16.212 1.628 1.00 0.00 H new ATOM 733 N ALA A 45 9.464 -10.512 6.160 1.00 0.00 N ATOM 734 CA ALA A 45 9.969 -11.340 7.227 1.00 0.00 C ATOM 735 C ALA A 45 9.470 -10.761 8.521 1.00 0.00 C ATOM 736 O ALA A 45 10.233 -10.158 9.276 1.00 0.00 O ATOM 737 CB ALA A 45 11.509 -11.387 7.251 1.00 0.00 C ATOM 0 H ALA A 45 9.925 -9.605 6.092 1.00 0.00 H new ATOM 0 HA ALA A 45 9.620 -12.362 7.077 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.841 -12.023 8.072 1.00 0.00 H new ATOM 0 HB2 ALA A 45 11.875 -11.792 6.308 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.902 -10.380 7.391 1.00 0.00 H new ATOM 743 N MET A 46 8.157 -10.942 8.800 1.00 0.00 N ATOM 744 CA MET A 46 7.523 -10.495 10.020 1.00 0.00 C ATOM 745 C MET A 46 7.042 -11.760 10.682 1.00 0.00 C ATOM 746 O MET A 46 7.748 -12.768 10.669 1.00 0.00 O ATOM 747 CB MET A 46 6.394 -9.461 9.738 1.00 0.00 C ATOM 748 CG MET A 46 6.134 -8.423 10.858 1.00 0.00 C ATOM 749 SD MET A 46 4.786 -8.774 12.038 1.00 0.00 S ATOM 750 CE MET A 46 3.407 -8.553 10.876 1.00 0.00 C ATOM 0 H MET A 46 7.516 -11.412 8.161 1.00 0.00 H new ATOM 0 HA MET A 46 8.202 -9.952 10.677 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.640 -8.924 8.822 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.468 -10.005 9.551 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.056 -8.304 11.427 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.925 -7.463 10.385 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.467 -8.529 11.427 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.534 -7.616 10.335 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.391 -9.382 10.168 1.00 0.00 H new ATOM 760 N LYS A 47 5.833 -11.740 11.282 1.00 0.00 N ATOM 761 CA LYS A 47 5.215 -12.875 11.916 1.00 0.00 C ATOM 762 C LYS A 47 3.961 -13.125 11.122 1.00 0.00 C ATOM 763 O LYS A 47 4.025 -13.312 9.908 1.00 0.00 O ATOM 764 CB LYS A 47 4.901 -12.630 13.416 1.00 0.00 C ATOM 765 CG LYS A 47 6.157 -12.348 14.258 1.00 0.00 C ATOM 766 CD LYS A 47 5.850 -12.193 15.756 1.00 0.00 C ATOM 767 CE LYS A 47 7.096 -11.871 16.594 1.00 0.00 C ATOM 768 NZ LYS A 47 6.762 -11.756 18.034 1.00 0.00 N ATOM 0 H LYS A 47 5.260 -10.897 11.328 1.00 0.00 H new ATOM 0 HA LYS A 47 5.884 -13.736 11.918 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.215 -11.787 13.504 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.388 -13.502 13.821 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.870 -13.161 14.121 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.636 -11.439 13.894 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.114 -11.400 15.890 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.398 -13.113 16.126 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.843 -12.652 16.453 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.540 -10.938 16.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.624 -11.538 18.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.067 -10.994 18.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.361 -12.655 18.370 1.00 0.00 H new ATOM 782 N ASP A 48 2.787 -13.138 11.793 1.00 0.00 N ATOM 783 CA ASP A 48 1.519 -13.462 11.185 1.00 0.00 C ATOM 784 C ASP A 48 0.872 -12.195 10.704 1.00 0.00 C ATOM 785 O ASP A 48 1.202 -11.101 11.159 1.00 0.00 O ATOM 786 CB ASP A 48 0.535 -14.134 12.177 1.00 0.00 C ATOM 787 CG ASP A 48 1.145 -15.426 12.718 1.00 0.00 C ATOM 788 OD1 ASP A 48 1.339 -16.370 11.907 1.00 0.00 O ATOM 789 OD2 ASP A 48 1.425 -15.481 13.944 1.00 0.00 O ATOM 0 H ASP A 48 2.715 -12.917 12.786 1.00 0.00 H new ATOM 0 HA ASP A 48 1.724 -14.159 10.372 1.00 0.00 H new ATOM 0 HB2 ASP A 48 0.313 -13.454 12.999 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.409 -14.349 11.677 1.00 0.00 H new ATOM 794 N LYS A 49 -0.097 -12.339 9.770 1.00 0.00 N ATOM 795 CA LYS A 49 -0.915 -11.253 9.278 1.00 0.00 C ATOM 796 C LYS A 49 -2.197 -11.221 10.074 1.00 0.00 C ATOM 797 O LYS A 49 -3.023 -10.332 9.873 1.00 0.00 O ATOM 798 CB LYS A 49 -1.328 -11.400 7.788 1.00 0.00 C ATOM 799 CG LYS A 49 -0.199 -11.222 6.754 1.00 0.00 C ATOM 800 CD LYS A 49 0.675 -12.463 6.506 1.00 0.00 C ATOM 801 CE LYS A 49 1.638 -12.311 5.315 1.00 0.00 C ATOM 802 NZ LYS A 49 0.910 -12.153 4.029 1.00 0.00 N ATOM 0 H LYS A 49 -0.321 -13.237 9.342 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.313 -10.350 9.378 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.769 -12.387 7.649 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.108 -10.670 7.574 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.643 -10.917 5.806 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.445 -10.406 7.082 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.253 -12.675 7.405 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.029 -13.323 6.332 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.281 -11.446 5.477 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.287 -13.185 5.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.573 -12.274 3.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.159 -12.870 3.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.487 -11.204 3.984 1.00 0.00 H new ATOM 816 N SER A 50 -2.382 -12.200 10.997 1.00 0.00 N ATOM 817 CA SER A 50 -3.604 -12.480 11.723 1.00 0.00 C ATOM 818 C SER A 50 -4.012 -11.332 12.616 1.00 0.00 C ATOM 819 O SER A 50 -5.199 -11.099 12.830 1.00 0.00 O ATOM 820 CB SER A 50 -3.462 -13.782 12.559 1.00 0.00 C ATOM 821 OG SER A 50 -4.702 -14.221 13.105 1.00 0.00 O ATOM 0 H SER A 50 -1.629 -12.838 11.253 1.00 0.00 H new ATOM 0 HA SER A 50 -4.390 -12.616 10.980 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.047 -14.570 11.930 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.752 -13.614 13.369 1.00 0.00 H new ATOM 0 HG SER A 50 -4.560 -15.043 13.620 1.00 0.00 H new ATOM 827 N GLU A 51 -3.025 -10.566 13.134 1.00 0.00 N ATOM 828 CA GLU A 51 -3.246 -9.421 13.986 1.00 0.00 C ATOM 829 C GLU A 51 -3.966 -8.328 13.235 1.00 0.00 C ATOM 830 O GLU A 51 -4.903 -7.719 13.749 1.00 0.00 O ATOM 831 CB GLU A 51 -1.898 -8.864 14.511 1.00 0.00 C ATOM 832 CG GLU A 51 -2.022 -7.654 15.458 1.00 0.00 C ATOM 833 CD GLU A 51 -0.645 -7.304 16.018 1.00 0.00 C ATOM 834 OE1 GLU A 51 0.268 -6.999 15.204 1.00 0.00 O ATOM 835 OE2 GLU A 51 -0.485 -7.343 17.267 1.00 0.00 O ATOM 0 H GLU A 51 -2.037 -10.748 12.955 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.858 -9.747 14.827 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.370 -9.662 15.032 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.282 -8.578 13.658 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.436 -6.800 14.922 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.710 -7.884 16.272 1.00 0.00 H new ATOM 842 N TRP A 52 -3.531 -8.068 11.985 1.00 0.00 N ATOM 843 CA TRP A 52 -3.927 -6.910 11.223 1.00 0.00 C ATOM 844 C TRP A 52 -5.213 -7.136 10.485 1.00 0.00 C ATOM 845 O TRP A 52 -5.980 -6.194 10.302 1.00 0.00 O ATOM 846 CB TRP A 52 -2.830 -6.491 10.221 1.00 0.00 C ATOM 847 CG TRP A 52 -1.517 -6.206 10.923 1.00 0.00 C ATOM 848 CD1 TRP A 52 -0.383 -6.968 10.976 1.00 0.00 C ATOM 849 CD2 TRP A 52 -1.305 -5.095 11.811 1.00 0.00 C ATOM 850 NE1 TRP A 52 0.530 -6.402 11.833 1.00 0.00 N ATOM 851 CE2 TRP A 52 -0.014 -5.249 12.359 1.00 0.00 C ATOM 852 CE3 TRP A 52 -2.119 -4.027 12.176 1.00 0.00 C ATOM 853 CZ2 TRP A 52 0.484 -4.330 13.279 1.00 0.00 C ATOM 854 CZ3 TRP A 52 -1.617 -3.099 13.100 1.00 0.00 C ATOM 855 CH2 TRP A 52 -0.334 -3.252 13.646 1.00 0.00 C ATOM 0 H TRP A 52 -2.884 -8.679 11.486 1.00 0.00 H new ATOM 0 HA TRP A 52 -4.078 -6.107 11.944 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.686 -7.282 9.485 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -3.153 -5.604 9.676 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -0.227 -7.883 10.424 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.456 -6.773 12.045 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -3.109 -3.916 11.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 1.473 -4.444 13.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -2.225 -2.257 13.395 1.00 0.00 H new ATOM 0 HH2 TRP A 52 0.029 -2.528 14.360 1.00 0.00 H new ATOM 866 N GLU A 53 -5.502 -8.389 10.056 1.00 0.00 N ATOM 867 CA GLU A 53 -6.726 -8.699 9.347 1.00 0.00 C ATOM 868 C GLU A 53 -7.877 -8.826 10.315 1.00 0.00 C ATOM 869 O GLU A 53 -9.026 -8.580 9.952 1.00 0.00 O ATOM 870 CB GLU A 53 -6.614 -9.931 8.408 1.00 0.00 C ATOM 871 CG GLU A 53 -6.217 -11.279 9.045 1.00 0.00 C ATOM 872 CD GLU A 53 -7.406 -11.992 9.690 1.00 0.00 C ATOM 873 OE1 GLU A 53 -8.429 -12.195 8.982 1.00 0.00 O ATOM 874 OE2 GLU A 53 -7.299 -12.360 10.890 1.00 0.00 O ATOM 0 H GLU A 53 -4.888 -9.191 10.199 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.922 -7.859 8.680 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.575 -10.064 7.912 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.884 -9.698 7.633 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.781 -11.924 8.282 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.447 -11.109 9.797 1.00 0.00 H new ATOM 881 N ALA A 54 -7.578 -9.161 11.595 1.00 0.00 N ATOM 882 CA ALA A 54 -8.553 -9.221 12.659 1.00 0.00 C ATOM 883 C ALA A 54 -8.889 -7.828 13.124 1.00 0.00 C ATOM 884 O ALA A 54 -10.008 -7.564 13.560 1.00 0.00 O ATOM 885 CB ALA A 54 -8.040 -10.011 13.877 1.00 0.00 C ATOM 0 H ALA A 54 -6.633 -9.396 11.898 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.429 -9.727 12.254 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.809 -10.028 14.650 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.806 -11.032 13.576 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.142 -9.533 14.269 1.00 0.00 H new ATOM 891 N LYS A 55 -7.916 -6.894 13.016 1.00 0.00 N ATOM 892 CA LYS A 55 -8.075 -5.508 13.393 1.00 0.00 C ATOM 893 C LYS A 55 -8.861 -4.777 12.331 1.00 0.00 C ATOM 894 O LYS A 55 -9.553 -3.800 12.615 1.00 0.00 O ATOM 895 CB LYS A 55 -6.703 -4.822 13.597 1.00 0.00 C ATOM 896 CG LYS A 55 -6.771 -3.464 14.313 1.00 0.00 C ATOM 897 CD LYS A 55 -5.383 -2.910 14.672 1.00 0.00 C ATOM 898 CE LYS A 55 -5.458 -1.651 15.547 1.00 0.00 C ATOM 899 NZ LYS A 55 -4.105 -1.172 15.919 1.00 0.00 N ATOM 0 H LYS A 55 -6.986 -7.108 12.655 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.616 -5.472 14.339 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.059 -5.489 14.170 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.232 -4.682 12.624 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.289 -2.748 13.675 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.362 -3.567 15.223 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.814 -3.678 15.195 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.840 -2.679 13.756 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.990 -0.865 15.012 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.031 -1.866 16.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.189 -0.320 16.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.608 -1.915 16.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.568 -0.944 15.058 1.00 0.00 H new ATOM 913 N ALA A 56 -8.800 -5.275 11.073 1.00 0.00 N ATOM 914 CA ALA A 56 -9.503 -4.722 9.938 1.00 0.00 C ATOM 915 C ALA A 56 -10.957 -5.133 9.936 1.00 0.00 C ATOM 916 O ALA A 56 -11.743 -4.629 9.136 1.00 0.00 O ATOM 917 CB ALA A 56 -8.882 -5.180 8.605 1.00 0.00 C ATOM 0 H ALA A 56 -8.240 -6.094 10.835 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.420 -3.639 10.031 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.438 -4.743 7.775 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.843 -4.854 8.557 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.925 -6.267 8.538 1.00 0.00 H new ATOM 923 N ALA A 57 -11.360 -6.039 10.861 1.00 0.00 N ATOM 924 CA ALA A 57 -12.732 -6.461 11.031 1.00 0.00 C ATOM 925 C ALA A 57 -13.516 -5.407 11.772 1.00 0.00 C ATOM 926 O ALA A 57 -14.740 -5.348 11.666 1.00 0.00 O ATOM 927 CB ALA A 57 -12.847 -7.780 11.817 1.00 0.00 C ATOM 0 H ALA A 57 -10.715 -6.491 11.509 1.00 0.00 H new ATOM 0 HA ALA A 57 -13.134 -6.613 10.029 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.897 -8.053 11.917 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.316 -8.569 11.284 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.409 -7.653 12.807 1.00 0.00 H new ATOM 933 N LYS A 58 -12.808 -4.517 12.516 1.00 0.00 N ATOM 934 CA LYS A 58 -13.385 -3.378 13.201 1.00 0.00 C ATOM 935 C LYS A 58 -13.813 -2.365 12.179 1.00 0.00 C ATOM 936 O LYS A 58 -14.842 -1.712 12.336 1.00 0.00 O ATOM 937 CB LYS A 58 -12.378 -2.722 14.188 1.00 0.00 C ATOM 938 CG LYS A 58 -12.939 -1.601 15.092 1.00 0.00 C ATOM 939 CD LYS A 58 -12.840 -0.171 14.522 1.00 0.00 C ATOM 940 CE LYS A 58 -13.417 0.892 15.470 1.00 0.00 C ATOM 941 NZ LYS A 58 -13.377 2.247 14.866 1.00 0.00 N ATOM 0 H LYS A 58 -11.799 -4.592 12.646 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.238 -3.726 13.783 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.966 -3.503 14.827 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.549 -2.313 13.610 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.987 -1.818 15.301 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.411 -1.630 16.045 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.795 0.061 14.317 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.369 -0.127 13.570 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.446 0.636 15.721 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -12.853 0.893 16.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.411 2.964 15.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.498 2.358 14.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.194 2.370 14.234 1.00 0.00 H new ATOM 955 N ALA A 59 -13.030 -2.236 11.081 1.00 0.00 N ATOM 956 CA ALA A 59 -13.232 -1.255 10.042 1.00 0.00 C ATOM 957 C ALA A 59 -14.468 -1.536 9.221 1.00 0.00 C ATOM 958 O ALA A 59 -15.004 -0.631 8.586 1.00 0.00 O ATOM 959 CB ALA A 59 -12.025 -1.173 9.092 1.00 0.00 C ATOM 0 H ALA A 59 -12.225 -2.838 10.910 1.00 0.00 H new ATOM 0 HA ALA A 59 -13.356 -0.303 10.559 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -12.217 -0.423 8.324 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -11.135 -0.895 9.657 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.867 -2.143 8.621 1.00 0.00 H new ATOM 965 N LYS A 60 -14.973 -2.793 9.245 1.00 0.00 N ATOM 966 CA LYS A 60 -16.195 -3.195 8.580 1.00 0.00 C ATOM 967 C LYS A 60 -17.389 -2.628 9.313 1.00 0.00 C ATOM 968 O LYS A 60 -18.342 -2.151 8.698 1.00 0.00 O ATOM 969 CB LYS A 60 -16.320 -4.737 8.517 1.00 0.00 C ATOM 970 CG LYS A 60 -17.551 -5.247 7.747 1.00 0.00 C ATOM 971 CD LYS A 60 -17.594 -6.778 7.621 1.00 0.00 C ATOM 972 CE LYS A 60 -18.857 -7.273 6.902 1.00 0.00 C ATOM 973 NZ LYS A 60 -18.870 -8.750 6.785 1.00 0.00 N ATOM 0 H LYS A 60 -14.518 -3.558 9.743 1.00 0.00 H new ATOM 0 HA LYS A 60 -16.165 -2.808 7.561 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -15.422 -5.143 8.051 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -16.356 -5.128 9.534 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -18.455 -4.905 8.251 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -17.556 -4.806 6.750 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -16.713 -7.120 7.078 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -17.548 -7.223 8.615 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -19.741 -6.942 7.447 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -18.910 -6.828 5.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -19.736 -9.052 6.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -18.039 -9.063 6.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -18.844 -9.174 7.734 1.00 0.00 H new ATOM 987 N ASP A 61 -17.337 -2.644 10.666 1.00 0.00 N ATOM 988 CA ASP A 61 -18.368 -2.126 11.540 1.00 0.00 C ATOM 989 C ASP A 61 -18.321 -0.612 11.536 1.00 0.00 C ATOM 990 O ASP A 61 -19.340 0.049 11.717 1.00 0.00 O ATOM 991 CB ASP A 61 -18.180 -2.672 12.984 1.00 0.00 C ATOM 992 CG ASP A 61 -19.278 -2.213 13.949 1.00 0.00 C ATOM 993 OD1 ASP A 61 -20.481 -2.415 13.636 1.00 0.00 O ATOM 994 OD2 ASP A 61 -18.923 -1.645 15.016 1.00 0.00 O ATOM 0 H ASP A 61 -16.544 -3.034 11.176 1.00 0.00 H new ATOM 0 HA ASP A 61 -19.342 -2.454 11.177 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -18.163 -3.761 12.954 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -17.211 -2.348 13.365 1.00 0.00 H new ATOM 999 N ASP A 62 -17.120 -0.036 11.299 1.00 0.00 N ATOM 1000 CA ASP A 62 -16.879 1.388 11.268 1.00 0.00 C ATOM 1001 C ASP A 62 -17.475 1.977 10.008 1.00 0.00 C ATOM 1002 O ASP A 62 -18.045 3.067 10.028 1.00 0.00 O ATOM 1003 CB ASP A 62 -15.354 1.675 11.308 1.00 0.00 C ATOM 1004 CG ASP A 62 -15.056 3.109 11.745 1.00 0.00 C ATOM 1005 OD1 ASP A 62 -15.292 3.411 12.946 1.00 0.00 O ATOM 1006 OD2 ASP A 62 -14.567 3.903 10.900 1.00 0.00 O ATOM 0 H ASP A 62 -16.279 -0.584 11.121 1.00 0.00 H new ATOM 0 HA ASP A 62 -17.347 1.845 12.140 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -14.871 0.979 11.994 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -14.925 1.500 10.321 1.00 0.00 H new ATOM 1011 N TYR A 63 -17.379 1.218 8.887 1.00 0.00 N ATOM 1012 CA TYR A 63 -17.871 1.559 7.569 1.00 0.00 C ATOM 1013 C TYR A 63 -19.377 1.670 7.572 1.00 0.00 C ATOM 1014 O TYR A 63 -19.930 2.517 6.874 1.00 0.00 O ATOM 1015 CB TYR A 63 -17.426 0.486 6.530 1.00 0.00 C ATOM 1016 CG TYR A 63 -17.857 0.775 5.110 1.00 0.00 C ATOM 1017 CD1 TYR A 63 -17.176 1.716 4.320 1.00 0.00 C ATOM 1018 CD2 TYR A 63 -18.951 0.088 4.555 1.00 0.00 C ATOM 1019 CE1 TYR A 63 -17.572 1.955 2.996 1.00 0.00 C ATOM 1020 CE2 TYR A 63 -19.350 0.325 3.236 1.00 0.00 C ATOM 1021 CZ TYR A 63 -18.656 1.254 2.450 1.00 0.00 C ATOM 1022 OH TYR A 63 -19.062 1.478 1.114 1.00 0.00 O ATOM 0 H TYR A 63 -16.927 0.304 8.902 1.00 0.00 H new ATOM 0 HA TYR A 63 -17.449 2.524 7.290 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -16.340 0.401 6.557 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -17.829 -0.481 6.829 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -16.341 2.260 4.736 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -19.489 -0.631 5.154 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -17.041 2.680 2.397 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -20.193 -0.208 2.823 1.00 0.00 H new ATOM 0 HH TYR A 63 -19.829 0.905 0.905 1.00 0.00 H new ATOM 1032 N ASP A 64 -20.063 0.826 8.382 1.00 0.00 N ATOM 1033 CA ASP A 64 -21.506 0.761 8.505 1.00 0.00 C ATOM 1034 C ASP A 64 -22.075 2.087 8.957 1.00 0.00 C ATOM 1035 O ASP A 64 -23.119 2.528 8.481 1.00 0.00 O ATOM 1036 CB ASP A 64 -21.914 -0.341 9.527 1.00 0.00 C ATOM 1037 CG ASP A 64 -23.429 -0.554 9.590 1.00 0.00 C ATOM 1038 OD1 ASP A 64 -24.014 -0.970 8.556 1.00 0.00 O ATOM 1039 OD2 ASP A 64 -24.016 -0.294 10.676 1.00 0.00 O ATOM 0 H ASP A 64 -19.589 0.153 8.984 1.00 0.00 H new ATOM 0 HA ASP A 64 -21.909 0.519 7.522 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -21.430 -1.279 9.256 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -21.548 -0.067 10.516 1.00 0.00 H new ATOM 1044 N ARG A 65 -21.369 2.757 9.895 1.00 0.00 N ATOM 1045 CA ARG A 65 -21.822 3.986 10.500 1.00 0.00 C ATOM 1046 C ARG A 65 -21.462 5.138 9.600 1.00 0.00 C ATOM 1047 O ARG A 65 -22.215 6.103 9.477 1.00 0.00 O ATOM 1048 CB ARG A 65 -21.187 4.221 11.895 1.00 0.00 C ATOM 1049 CG ARG A 65 -21.060 2.953 12.765 1.00 0.00 C ATOM 1050 CD ARG A 65 -22.361 2.165 12.996 1.00 0.00 C ATOM 1051 NE ARG A 65 -22.016 0.881 13.700 1.00 0.00 N ATOM 1052 CZ ARG A 65 -22.081 0.706 15.057 1.00 0.00 C ATOM 1053 NH1 ARG A 65 -22.523 1.701 15.879 1.00 0.00 N ATOM 1054 NH2 ARG A 65 -21.689 -0.487 15.592 1.00 0.00 N ATOM 0 H ARG A 65 -20.464 2.440 10.242 1.00 0.00 H new ATOM 0 HA ARG A 65 -22.902 3.913 10.632 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -20.196 4.654 11.760 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -21.785 4.956 12.433 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -20.333 2.288 12.300 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -20.655 3.240 13.735 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -23.059 2.751 13.595 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -22.853 1.957 12.046 1.00 0.00 H new ATOM 0 HE ARG A 65 -21.714 0.090 13.131 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -22.813 2.596 15.486 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -22.563 1.550 16.887 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -21.353 -1.233 14.983 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -21.732 -0.632 16.601 1.00 0.00 H new ATOM 1068 N ALA A 66 -20.283 5.034 8.941 1.00 0.00 N ATOM 1069 CA ALA A 66 -19.666 6.075 8.153 1.00 0.00 C ATOM 1070 C ALA A 66 -20.434 6.395 6.898 1.00 0.00 C ATOM 1071 O ALA A 66 -20.433 7.543 6.456 1.00 0.00 O ATOM 1072 CB ALA A 66 -18.236 5.689 7.731 1.00 0.00 C ATOM 0 H ALA A 66 -19.730 4.177 8.958 1.00 0.00 H new ATOM 0 HA ALA A 66 -19.656 6.951 8.801 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -17.801 6.495 7.139 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -17.627 5.522 8.619 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -18.266 4.777 7.135 1.00 0.00 H new ATOM 1078 N VAL A 67 -21.116 5.393 6.291 1.00 0.00 N ATOM 1079 CA VAL A 67 -21.849 5.583 5.056 1.00 0.00 C ATOM 1080 C VAL A 67 -23.128 6.351 5.282 1.00 0.00 C ATOM 1081 O VAL A 67 -23.627 6.986 4.358 1.00 0.00 O ATOM 1082 CB VAL A 67 -22.149 4.301 4.290 1.00 0.00 C ATOM 1083 CG1 VAL A 67 -20.822 3.760 3.722 1.00 0.00 C ATOM 1084 CG2 VAL A 67 -22.884 3.268 5.170 1.00 0.00 C ATOM 0 H VAL A 67 -21.162 4.442 6.657 1.00 0.00 H new ATOM 0 HA VAL A 67 -21.173 6.165 4.429 1.00 0.00 H new ATOM 0 HB VAL A 67 -22.830 4.510 3.465 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -21.011 2.840 3.168 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -20.383 4.502 3.055 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -20.132 3.555 4.541 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -23.080 2.368 4.588 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -22.264 3.016 6.030 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -23.828 3.690 5.515 1.00 0.00 H new ATOM 1094 N LYS A 68 -23.672 6.356 6.524 1.00 0.00 N ATOM 1095 CA LYS A 68 -24.859 7.120 6.844 1.00 0.00 C ATOM 1096 C LYS A 68 -24.524 8.585 6.926 1.00 0.00 C ATOM 1097 O LYS A 68 -25.342 9.427 6.570 1.00 0.00 O ATOM 1098 CB LYS A 68 -25.518 6.711 8.180 1.00 0.00 C ATOM 1099 CG LYS A 68 -26.118 5.298 8.147 1.00 0.00 C ATOM 1100 CD LYS A 68 -27.009 5.011 9.368 1.00 0.00 C ATOM 1101 CE LYS A 68 -27.752 3.672 9.268 1.00 0.00 C ATOM 1102 NZ LYS A 68 -28.668 3.485 10.419 1.00 0.00 N ATOM 0 H LYS A 68 -23.290 5.830 7.310 1.00 0.00 H new ATOM 0 HA LYS A 68 -25.567 6.912 6.042 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -24.776 6.766 8.976 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -26.302 7.427 8.426 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -26.704 5.176 7.236 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -25.312 4.565 8.108 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -26.394 5.012 10.268 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -27.736 5.816 9.478 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -28.319 3.635 8.338 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -27.032 2.854 9.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -29.158 2.572 10.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -28.121 3.497 11.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -29.368 4.254 10.434 1.00 0.00 H new ATOM 1116 N GLU A 69 -23.292 8.913 7.379 1.00 0.00 N ATOM 1117 CA GLU A 69 -22.806 10.268 7.508 1.00 0.00 C ATOM 1118 C GLU A 69 -22.496 10.833 6.146 1.00 0.00 C ATOM 1119 O GLU A 69 -22.774 11.997 5.867 1.00 0.00 O ATOM 1120 CB GLU A 69 -21.521 10.334 8.365 1.00 0.00 C ATOM 1121 CG GLU A 69 -21.708 9.739 9.773 1.00 0.00 C ATOM 1122 CD GLU A 69 -20.384 9.795 10.531 1.00 0.00 C ATOM 1123 OE1 GLU A 69 -19.886 10.928 10.769 1.00 0.00 O ATOM 1124 OE2 GLU A 69 -19.852 8.707 10.878 1.00 0.00 O ATOM 0 H GLU A 69 -22.608 8.213 7.666 1.00 0.00 H new ATOM 0 HA GLU A 69 -23.588 10.848 7.998 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.721 9.799 7.853 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -21.203 11.373 8.454 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -22.473 10.295 10.315 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -22.054 8.708 9.700 1.00 0.00 H new ATOM 1131 N PHE A 70 -21.922 9.980 5.263 1.00 0.00 N ATOM 1132 CA PHE A 70 -21.514 10.302 3.914 1.00 0.00 C ATOM 1133 C PHE A 70 -22.720 10.624 3.059 1.00 0.00 C ATOM 1134 O PHE A 70 -22.737 11.633 2.357 1.00 0.00 O ATOM 1135 CB PHE A 70 -20.716 9.109 3.300 1.00 0.00 C ATOM 1136 CG PHE A 70 -20.315 9.321 1.858 1.00 0.00 C ATOM 1137 CD1 PHE A 70 -19.489 10.396 1.485 1.00 0.00 C ATOM 1138 CD2 PHE A 70 -20.821 8.472 0.857 1.00 0.00 C ATOM 1139 CE1 PHE A 70 -19.193 10.628 0.135 1.00 0.00 C ATOM 1140 CE2 PHE A 70 -20.537 8.712 -0.491 1.00 0.00 C ATOM 1141 CZ PHE A 70 -19.722 9.790 -0.853 1.00 0.00 C ATOM 0 H PHE A 70 -21.731 9.007 5.504 1.00 0.00 H new ATOM 0 HA PHE A 70 -20.869 11.180 3.943 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -19.819 8.939 3.896 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -21.321 8.205 3.370 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -19.080 11.047 2.244 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -21.435 7.627 1.132 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -18.556 11.454 -0.143 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -20.947 8.065 -1.253 1.00 0.00 H new ATOM 0 HZ PHE A 70 -19.501 9.975 -1.894 1.00 0.00 H new ATOM 1151 N GLU A 71 -23.760 9.760 3.099 1.00 0.00 N ATOM 1152 CA GLU A 71 -24.909 9.871 2.230 1.00 0.00 C ATOM 1153 C GLU A 71 -25.966 10.765 2.833 1.00 0.00 C ATOM 1154 O GLU A 71 -27.072 10.858 2.303 1.00 0.00 O ATOM 1155 CB GLU A 71 -25.514 8.483 1.907 1.00 0.00 C ATOM 1156 CG GLU A 71 -24.499 7.565 1.195 1.00 0.00 C ATOM 1157 CD GLU A 71 -25.100 6.190 0.910 1.00 0.00 C ATOM 1158 OE1 GLU A 71 -25.556 5.527 1.878 1.00 0.00 O ATOM 1159 OE2 GLU A 71 -25.084 5.774 -0.279 1.00 0.00 O ATOM 0 H GLU A 71 -23.807 8.971 3.744 1.00 0.00 H new ATOM 0 HA GLU A 71 -24.562 10.319 1.299 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -25.847 8.009 2.830 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -26.394 8.608 1.277 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -24.181 8.026 0.260 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -23.609 7.454 1.814 1.00 0.00 H new