USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 842 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 600 THR OG1 : rot -64:sc= -2.1! USER MOD Set 1.2: A 605 GLN : amide:sc= -4.86! C(o=-7!,f=-5.2!) USER MOD Single : A 521 THR OG1 : rot 180:sc= -0.454 USER MOD Single : A 530 GLN : amide:sc= -0.978 X(o=-0.98,f=-0.83) USER MOD Single : A 531 HIS : no HD1:sc= -0.455 X(o=-0.46,f=-0.068) USER MOD Single : A 540 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 LYS NZ :NH3+ -170:sc= -0.012 (180deg=-0.13) USER MOD Single : A 543 SER OG : rot 180:sc= 0 USER MOD Single : A 544 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 547 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 550 THR OG1 : rot 109:sc= 0.952 USER MOD Single : A 552 TYR OH : rot 90:sc= 0.425 USER MOD Single : A 553 TYR OH : rot 18:sc= 1.23 USER MOD Single : A 556 CYS SG : rot -37:sc= 0.0544 USER MOD Single : A 558 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 560 MET CE :methyl 153:sc= -0.442 (180deg=-1.37!) USER MOD Single : A 561 LYS NZ :NH3+ -159:sc= 1.29 (180deg=1.12) USER MOD Single : A 562 GLN : amide:sc= -2.01! K(o=-2!,f=0) USER MOD Single : A 568 LYS NZ :NH3+ 166:sc= 1.32 (180deg=1.11) USER MOD Single : A 569 TYR OH : rot 30:sc= 0 USER MOD Single : A 571 SER OG : rot 89:sc= 1.2 USER MOD Single : A 573 ASN : amide:sc= 0.642 K(o=0.64,f=0) USER MOD Single : A 576 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 577 SER OG : rot 180:sc= 0 USER MOD Single : A 582 HIS : no HD1:sc= 0.442 K(o=0.44,f=-8.4!) USER MOD Single : A 584 SER OG : rot 120:sc= 0 USER MOD Single : A 586 SER OG : rot 170:sc= 0 USER MOD Single : A 589 MET CE :methyl 165:sc= -0.194 (180deg=-0.61) USER MOD Single : A 608 GLN : amide:sc= -0.0125 X(o=-0.012,f=-0.19) USER MOD Single : A 610 SER OG : rot 77:sc= 0.546 USER MOD Single : A 616 SER OG : rot 180:sc= 0 USER MOD Single : A 619 GLN : amide:sc= -0.566 X(o=-0.57,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 94 N ALA A 520 -7.109 -10.402 -1.892 1.00 0.00 N ATOM 95 CA ALA A 520 -7.338 -9.391 -2.899 1.00 0.00 C ATOM 96 C ALA A 520 -6.543 -9.694 -4.156 1.00 0.00 C ATOM 97 O ALA A 520 -5.440 -10.239 -4.093 1.00 0.00 O ATOM 98 CB ALA A 520 -6.986 -8.017 -2.351 1.00 0.00 C ATOM 0 HA ALA A 520 -8.395 -9.396 -3.164 1.00 0.00 H new ATOM 0 HB1 ALA A 520 -7.162 -7.263 -3.118 1.00 0.00 H new ATOM 0 HB2 ALA A 520 -7.607 -7.802 -1.481 1.00 0.00 H new ATOM 0 HB3 ALA A 520 -5.936 -8.000 -2.060 1.00 0.00 H new ATOM 104 N THR A 521 -7.111 -9.346 -5.293 1.00 0.00 N ATOM 105 CA THR A 521 -6.444 -9.487 -6.568 1.00 0.00 C ATOM 106 C THR A 521 -5.918 -8.140 -7.029 1.00 0.00 C ATOM 107 O THR A 521 -6.525 -7.112 -6.741 1.00 0.00 O ATOM 108 CB THR A 521 -7.412 -10.054 -7.620 1.00 0.00 C ATOM 109 OG1 THR A 521 -8.749 -9.654 -7.301 1.00 0.00 O ATOM 110 CG2 THR A 521 -7.325 -11.571 -7.685 1.00 0.00 C ATOM 0 H THR A 521 -8.051 -8.956 -5.357 1.00 0.00 H new ATOM 0 HA THR A 521 -5.610 -10.178 -6.449 1.00 0.00 H new ATOM 0 HB THR A 521 -7.132 -9.659 -8.597 1.00 0.00 H new ATOM 0 HG1 THR A 521 -9.367 -10.013 -7.972 1.00 0.00 H new ATOM 0 HG21 THR A 521 -8.020 -11.943 -8.437 1.00 0.00 H new ATOM 0 HG22 THR A 521 -6.310 -11.866 -7.951 1.00 0.00 H new ATOM 0 HG23 THR A 521 -7.582 -11.992 -6.713 1.00 0.00 H new ATOM 118 N PRO A 522 -4.781 -8.121 -7.738 1.00 0.00 N ATOM 119 CA PRO A 522 -4.174 -6.878 -8.213 1.00 0.00 C ATOM 120 C PRO A 522 -5.164 -6.025 -9.002 1.00 0.00 C ATOM 121 O PRO A 522 -5.220 -4.808 -8.836 1.00 0.00 O ATOM 122 CB PRO A 522 -3.024 -7.347 -9.119 1.00 0.00 C ATOM 123 CG PRO A 522 -3.248 -8.808 -9.335 1.00 0.00 C ATOM 124 CD PRO A 522 -3.994 -9.298 -8.130 1.00 0.00 C ATOM 0 HA PRO A 522 -3.841 -6.249 -7.388 1.00 0.00 H new ATOM 0 HB2 PRO A 522 -3.026 -6.807 -10.066 1.00 0.00 H new ATOM 0 HB3 PRO A 522 -2.057 -7.164 -8.650 1.00 0.00 H new ATOM 0 HG2 PRO A 522 -3.821 -8.984 -10.246 1.00 0.00 H new ATOM 0 HG3 PRO A 522 -2.300 -9.335 -9.447 1.00 0.00 H new ATOM 0 HD2 PRO A 522 -4.631 -10.151 -8.367 1.00 0.00 H new ATOM 0 HD3 PRO A 522 -3.318 -9.616 -7.336 1.00 0.00 H new ATOM 132 N GLU A 523 -5.929 -6.685 -9.862 1.00 0.00 N ATOM 133 CA GLU A 523 -6.941 -6.004 -10.664 1.00 0.00 C ATOM 134 C GLU A 523 -7.938 -5.263 -9.759 1.00 0.00 C ATOM 135 O GLU A 523 -8.345 -4.142 -10.061 1.00 0.00 O ATOM 136 CB GLU A 523 -7.668 -6.989 -11.586 1.00 0.00 C ATOM 137 CG GLU A 523 -8.347 -8.137 -10.862 1.00 0.00 C ATOM 138 CD GLU A 523 -9.052 -9.079 -11.813 1.00 0.00 C ATOM 139 OE1 GLU A 523 -10.246 -8.856 -12.105 1.00 0.00 O ATOM 140 OE2 GLU A 523 -8.416 -10.047 -12.277 1.00 0.00 O ATOM 0 H GLU A 523 -5.869 -7.690 -10.023 1.00 0.00 H new ATOM 0 HA GLU A 523 -6.438 -5.269 -11.293 1.00 0.00 H new ATOM 0 HB2 GLU A 523 -8.416 -6.445 -12.162 1.00 0.00 H new ATOM 0 HB3 GLU A 523 -6.952 -7.397 -12.299 1.00 0.00 H new ATOM 0 HG2 GLU A 523 -7.604 -8.692 -10.288 1.00 0.00 H new ATOM 0 HG3 GLU A 523 -9.068 -7.738 -10.148 1.00 0.00 H new ATOM 147 N GLU A 524 -8.326 -5.890 -8.650 1.00 0.00 N ATOM 148 CA GLU A 524 -9.197 -5.250 -7.673 1.00 0.00 C ATOM 149 C GLU A 524 -8.458 -4.154 -6.905 1.00 0.00 C ATOM 150 O GLU A 524 -9.036 -3.129 -6.571 1.00 0.00 O ATOM 151 CB GLU A 524 -9.765 -6.275 -6.692 1.00 0.00 C ATOM 152 CG GLU A 524 -10.685 -7.298 -7.336 1.00 0.00 C ATOM 153 CD GLU A 524 -11.855 -6.672 -8.066 1.00 0.00 C ATOM 154 OE1 GLU A 524 -12.903 -6.430 -7.433 1.00 0.00 O ATOM 155 OE2 GLU A 524 -11.746 -6.448 -9.289 1.00 0.00 O ATOM 0 H GLU A 524 -8.049 -6.841 -8.408 1.00 0.00 H new ATOM 0 HA GLU A 524 -10.020 -4.794 -8.223 1.00 0.00 H new ATOM 0 HB2 GLU A 524 -8.939 -6.797 -6.208 1.00 0.00 H new ATOM 0 HB3 GLU A 524 -10.313 -5.750 -5.909 1.00 0.00 H new ATOM 0 HG2 GLU A 524 -10.110 -7.904 -8.036 1.00 0.00 H new ATOM 0 HG3 GLU A 524 -11.063 -7.972 -6.567 1.00 0.00 H new ATOM 162 N VAL A 525 -7.178 -4.376 -6.628 1.00 0.00 N ATOM 163 CA VAL A 525 -6.380 -3.414 -5.866 1.00 0.00 C ATOM 164 C VAL A 525 -6.145 -2.127 -6.665 1.00 0.00 C ATOM 165 O VAL A 525 -6.032 -1.039 -6.098 1.00 0.00 O ATOM 166 CB VAL A 525 -5.021 -4.017 -5.437 1.00 0.00 C ATOM 167 CG1 VAL A 525 -4.182 -2.994 -4.686 1.00 0.00 C ATOM 168 CG2 VAL A 525 -5.231 -5.256 -4.579 1.00 0.00 C ATOM 0 H VAL A 525 -6.669 -5.211 -6.918 1.00 0.00 H new ATOM 0 HA VAL A 525 -6.950 -3.171 -4.970 1.00 0.00 H new ATOM 0 HB VAL A 525 -4.483 -4.304 -6.340 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -3.233 -3.444 -4.396 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -3.995 -2.134 -5.329 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -4.717 -2.669 -3.793 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -4.264 -5.665 -4.288 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -5.796 -4.989 -3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -5.784 -6.003 -5.148 1.00 0.00 H new ATOM 178 N ARG A 526 -6.083 -2.250 -7.985 1.00 0.00 N ATOM 179 CA ARG A 526 -5.906 -1.086 -8.845 1.00 0.00 C ATOM 180 C ARG A 526 -7.242 -0.409 -9.119 1.00 0.00 C ATOM 181 O ARG A 526 -7.281 0.721 -9.596 1.00 0.00 O ATOM 182 CB ARG A 526 -5.227 -1.463 -10.166 1.00 0.00 C ATOM 183 CG ARG A 526 -5.965 -2.522 -10.962 1.00 0.00 C ATOM 184 CD ARG A 526 -5.198 -2.919 -12.213 1.00 0.00 C ATOM 185 NE ARG A 526 -5.059 -1.806 -13.152 1.00 0.00 N ATOM 186 CZ ARG A 526 -3.968 -1.578 -13.884 1.00 0.00 C ATOM 187 NH1 ARG A 526 -2.915 -2.382 -13.787 1.00 0.00 N ATOM 188 NH2 ARG A 526 -3.935 -0.544 -14.716 1.00 0.00 N ATOM 0 H ARG A 526 -6.152 -3.138 -8.481 1.00 0.00 H new ATOM 0 HA ARG A 526 -5.258 -0.386 -8.317 1.00 0.00 H new ATOM 0 HB2 ARG A 526 -5.127 -0.567 -10.779 1.00 0.00 H new ATOM 0 HB3 ARG A 526 -4.219 -1.819 -9.955 1.00 0.00 H new ATOM 0 HG2 ARG A 526 -6.124 -3.401 -10.338 1.00 0.00 H new ATOM 0 HG3 ARG A 526 -6.949 -2.147 -11.242 1.00 0.00 H new ATOM 0 HD2 ARG A 526 -4.209 -3.280 -11.931 1.00 0.00 H new ATOM 0 HD3 ARG A 526 -5.711 -3.745 -12.705 1.00 0.00 H new ATOM 0 HE ARG A 526 -5.846 -1.164 -13.253 1.00 0.00 H new ATOM 0 HH11 ARG A 526 -2.938 -3.178 -13.150 1.00 0.00 H new ATOM 0 HH12 ARG A 526 -2.083 -2.203 -14.349 1.00 0.00 H new ATOM 0 HH21 ARG A 526 -4.743 0.074 -14.794 1.00 0.00 H new ATOM 0 HH22 ARG A 526 -3.102 -0.367 -15.277 1.00 0.00 H new ATOM 202 N LEU A 527 -8.331 -1.113 -8.829 1.00 0.00 N ATOM 203 CA LEU A 527 -9.682 -0.597 -9.032 1.00 0.00 C ATOM 204 C LEU A 527 -9.873 0.775 -8.357 1.00 0.00 C ATOM 205 O LEU A 527 -10.325 1.719 -9.005 1.00 0.00 O ATOM 206 CB LEU A 527 -10.701 -1.619 -8.497 1.00 0.00 C ATOM 207 CG LEU A 527 -11.936 -1.875 -9.359 1.00 0.00 C ATOM 208 CD1 LEU A 527 -12.850 -0.668 -9.357 1.00 0.00 C ATOM 209 CD2 LEU A 527 -11.533 -2.249 -10.777 1.00 0.00 C ATOM 0 H LEU A 527 -8.303 -2.058 -8.446 1.00 0.00 H new ATOM 0 HA LEU A 527 -9.843 -0.450 -10.100 1.00 0.00 H new ATOM 0 HB2 LEU A 527 -10.186 -2.568 -8.351 1.00 0.00 H new ATOM 0 HB3 LEU A 527 -11.035 -1.284 -7.515 1.00 0.00 H new ATOM 0 HG LEU A 527 -12.484 -2.714 -8.931 1.00 0.00 H new ATOM 0 HD11 LEU A 527 -13.723 -0.872 -9.977 1.00 0.00 H new ATOM 0 HD12 LEU A 527 -13.171 -0.456 -8.337 1.00 0.00 H new ATOM 0 HD13 LEU A 527 -12.315 0.194 -9.756 1.00 0.00 H new ATOM 0 HD21 LEU A 527 -12.427 -2.427 -11.374 1.00 0.00 H new ATOM 0 HD22 LEU A 527 -10.958 -1.435 -11.218 1.00 0.00 H new ATOM 0 HD23 LEU A 527 -10.925 -3.153 -10.756 1.00 0.00 H new ATOM 221 N PRO A 528 -9.525 0.925 -7.058 1.00 0.00 N ATOM 222 CA PRO A 528 -9.626 2.216 -6.365 1.00 0.00 C ATOM 223 C PRO A 528 -8.765 3.290 -7.016 1.00 0.00 C ATOM 224 O PRO A 528 -9.128 4.468 -7.034 1.00 0.00 O ATOM 225 CB PRO A 528 -9.111 1.918 -4.956 1.00 0.00 C ATOM 226 CG PRO A 528 -9.247 0.447 -4.796 1.00 0.00 C ATOM 227 CD PRO A 528 -9.033 -0.133 -6.156 1.00 0.00 C ATOM 0 HA PRO A 528 -10.645 2.603 -6.388 1.00 0.00 H new ATOM 0 HB2 PRO A 528 -8.074 2.233 -4.841 1.00 0.00 H new ATOM 0 HB3 PRO A 528 -9.691 2.452 -4.203 1.00 0.00 H new ATOM 0 HG2 PRO A 528 -8.514 0.062 -4.087 1.00 0.00 H new ATOM 0 HG3 PRO A 528 -10.232 0.185 -4.410 1.00 0.00 H new ATOM 0 HD2 PRO A 528 -7.982 -0.358 -6.336 1.00 0.00 H new ATOM 0 HD3 PRO A 528 -9.586 -1.063 -6.288 1.00 0.00 H new ATOM 235 N LEU A 529 -7.639 2.866 -7.577 1.00 0.00 N ATOM 236 CA LEU A 529 -6.702 3.786 -8.213 1.00 0.00 C ATOM 237 C LEU A 529 -7.321 4.396 -9.466 1.00 0.00 C ATOM 238 O LEU A 529 -6.892 5.451 -9.935 1.00 0.00 O ATOM 239 CB LEU A 529 -5.403 3.061 -8.580 1.00 0.00 C ATOM 240 CG LEU A 529 -4.733 2.286 -7.440 1.00 0.00 C ATOM 241 CD1 LEU A 529 -3.445 1.640 -7.923 1.00 0.00 C ATOM 242 CD2 LEU A 529 -4.458 3.196 -6.255 1.00 0.00 C ATOM 0 H LEU A 529 -7.351 1.888 -7.605 1.00 0.00 H new ATOM 0 HA LEU A 529 -6.475 4.583 -7.505 1.00 0.00 H new ATOM 0 HB2 LEU A 529 -5.613 2.366 -9.393 1.00 0.00 H new ATOM 0 HB3 LEU A 529 -4.694 3.795 -8.963 1.00 0.00 H new ATOM 0 HG LEU A 529 -5.416 1.501 -7.115 1.00 0.00 H new ATOM 0 HD11 LEU A 529 -2.982 1.094 -7.101 1.00 0.00 H new ATOM 0 HD12 LEU A 529 -3.667 0.951 -8.738 1.00 0.00 H new ATOM 0 HD13 LEU A 529 -2.761 2.412 -8.277 1.00 0.00 H new ATOM 0 HD21 LEU A 529 -3.982 2.623 -5.459 1.00 0.00 H new ATOM 0 HD22 LEU A 529 -3.797 4.006 -6.564 1.00 0.00 H new ATOM 0 HD23 LEU A 529 -5.397 3.613 -5.891 1.00 0.00 H new ATOM 254 N GLN A 530 -8.337 3.725 -9.997 1.00 0.00 N ATOM 255 CA GLN A 530 -9.019 4.190 -11.195 1.00 0.00 C ATOM 256 C GLN A 530 -10.119 5.177 -10.828 1.00 0.00 C ATOM 257 O GLN A 530 -10.554 5.975 -11.658 1.00 0.00 O ATOM 258 CB GLN A 530 -9.633 3.012 -11.960 1.00 0.00 C ATOM 259 CG GLN A 530 -8.744 1.779 -12.015 1.00 0.00 C ATOM 260 CD GLN A 530 -9.319 0.677 -12.880 1.00 0.00 C ATOM 261 OE1 GLN A 530 -10.008 0.936 -13.867 1.00 0.00 O ATOM 262 NE2 GLN A 530 -9.055 -0.562 -12.504 1.00 0.00 N ATOM 0 H GLN A 530 -8.706 2.855 -9.614 1.00 0.00 H new ATOM 0 HA GLN A 530 -8.284 4.684 -11.830 1.00 0.00 H new ATOM 0 HB2 GLN A 530 -10.581 2.743 -11.493 1.00 0.00 H new ATOM 0 HB3 GLN A 530 -9.858 3.331 -12.978 1.00 0.00 H new ATOM 0 HG2 GLN A 530 -7.763 2.061 -12.398 1.00 0.00 H new ATOM 0 HG3 GLN A 530 -8.594 1.400 -11.004 1.00 0.00 H new ATOM 0 HE21 GLN A 530 -8.479 -0.733 -11.679 1.00 0.00 H new ATOM 0 HE22 GLN A 530 -9.427 -1.347 -13.038 1.00 0.00 H new ATOM 271 N HIS A 531 -10.568 5.118 -9.580 1.00 0.00 N ATOM 272 CA HIS A 531 -11.677 5.950 -9.131 1.00 0.00 C ATOM 273 C HIS A 531 -11.196 7.216 -8.437 1.00 0.00 C ATOM 274 O HIS A 531 -11.885 8.234 -8.454 1.00 0.00 O ATOM 275 CB HIS A 531 -12.609 5.162 -8.206 1.00 0.00 C ATOM 276 CG HIS A 531 -13.508 4.215 -8.938 1.00 0.00 C ATOM 277 ND1 HIS A 531 -14.690 4.639 -9.492 1.00 0.00 N ATOM 278 CD2 HIS A 531 -13.351 2.894 -9.187 1.00 0.00 C ATOM 279 CE1 HIS A 531 -15.224 3.574 -10.065 1.00 0.00 C ATOM 280 NE2 HIS A 531 -14.448 2.492 -9.906 1.00 0.00 N ATOM 0 H HIS A 531 -10.182 4.504 -8.863 1.00 0.00 H new ATOM 0 HA HIS A 531 -12.231 6.250 -10.020 1.00 0.00 H new ATOM 0 HB2 HIS A 531 -12.009 4.602 -7.489 1.00 0.00 H new ATOM 0 HB3 HIS A 531 -13.218 5.862 -7.634 1.00 0.00 H new ATOM 0 HD2 HIS A 531 -12.521 2.275 -8.879 1.00 0.00 H new ATOM 0 HE1 HIS A 531 -16.166 3.575 -10.594 1.00 0.00 H new ATOM 0 HE2 HIS A 531 -14.637 1.552 -10.253 1.00 0.00 H new ATOM 288 N GLY A 532 -10.024 7.165 -7.822 1.00 0.00 N ATOM 289 CA GLY A 532 -9.502 8.350 -7.170 1.00 0.00 C ATOM 290 C GLY A 532 -8.549 8.036 -6.039 1.00 0.00 C ATOM 291 O GLY A 532 -7.661 8.833 -5.731 1.00 0.00 O ATOM 0 H GLY A 532 -9.431 6.337 -7.762 1.00 0.00 H new ATOM 0 HA2 GLY A 532 -8.989 8.967 -7.908 1.00 0.00 H new ATOM 0 HA3 GLY A 532 -10.333 8.940 -6.783 1.00 0.00 H new ATOM 295 N TRP A 533 -8.739 6.886 -5.408 1.00 0.00 N ATOM 296 CA TRP A 533 -7.862 6.455 -4.326 1.00 0.00 C ATOM 297 C TRP A 533 -6.438 6.271 -4.830 1.00 0.00 C ATOM 298 O TRP A 533 -6.215 6.056 -6.024 1.00 0.00 O ATOM 299 CB TRP A 533 -8.355 5.138 -3.729 1.00 0.00 C ATOM 300 CG TRP A 533 -9.690 5.237 -3.065 1.00 0.00 C ATOM 301 CD1 TRP A 533 -10.910 5.287 -3.674 1.00 0.00 C ATOM 302 CD2 TRP A 533 -9.941 5.277 -1.658 1.00 0.00 C ATOM 303 NE1 TRP A 533 -11.902 5.370 -2.732 1.00 0.00 N ATOM 304 CE2 TRP A 533 -11.334 5.361 -1.485 1.00 0.00 C ATOM 305 CE3 TRP A 533 -9.120 5.251 -0.528 1.00 0.00 C ATOM 306 CZ2 TRP A 533 -11.925 5.419 -0.226 1.00 0.00 C ATOM 307 CZ3 TRP A 533 -9.706 5.308 0.720 1.00 0.00 C ATOM 308 CH2 TRP A 533 -11.096 5.389 0.863 1.00 0.00 C ATOM 0 H TRP A 533 -9.492 6.234 -5.626 1.00 0.00 H new ATOM 0 HA TRP A 533 -7.875 7.228 -3.558 1.00 0.00 H new ATOM 0 HB2 TRP A 533 -8.408 4.389 -4.519 1.00 0.00 H new ATOM 0 HB3 TRP A 533 -7.624 4.783 -3.002 1.00 0.00 H new ATOM 0 HD1 TRP A 533 -11.070 5.264 -4.742 1.00 0.00 H new ATOM 0 HE1 TRP A 533 -12.901 5.429 -2.928 1.00 0.00 H new ATOM 0 HE3 TRP A 533 -8.047 5.187 -0.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 -12.997 5.485 -0.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 -9.082 5.290 1.601 1.00 0.00 H new ATOM 0 HH2 TRP A 533 -11.524 5.429 1.854 1.00 0.00 H new ATOM 319 N ARG A 534 -5.477 6.359 -3.925 1.00 0.00 N ATOM 320 CA ARG A 534 -4.084 6.114 -4.256 1.00 0.00 C ATOM 321 C ARG A 534 -3.484 5.171 -3.230 1.00 0.00 C ATOM 322 O ARG A 534 -3.998 5.062 -2.113 1.00 0.00 O ATOM 323 CB ARG A 534 -3.290 7.425 -4.288 1.00 0.00 C ATOM 324 CG ARG A 534 -3.584 8.290 -5.501 1.00 0.00 C ATOM 325 CD ARG A 534 -3.165 7.591 -6.781 1.00 0.00 C ATOM 326 NE ARG A 534 -3.404 8.413 -7.961 1.00 0.00 N ATOM 327 CZ ARG A 534 -2.829 8.200 -9.140 1.00 0.00 C ATOM 328 NH1 ARG A 534 -1.979 7.189 -9.296 1.00 0.00 N ATOM 329 NH2 ARG A 534 -3.101 9.000 -10.163 1.00 0.00 N ATOM 0 H ARG A 534 -5.639 6.600 -2.947 1.00 0.00 H new ATOM 0 HA ARG A 534 -4.033 5.663 -5.247 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -3.510 7.995 -3.385 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -2.225 7.194 -4.267 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -4.649 8.519 -5.539 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -3.057 9.240 -5.411 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -2.106 7.338 -6.725 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -3.712 6.653 -6.877 1.00 0.00 H new ATOM 0 HE ARG A 534 -4.050 9.198 -7.877 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -1.767 6.575 -8.510 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -1.539 7.028 -10.202 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -3.751 9.777 -10.044 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -2.660 8.838 -11.069 1.00 0.00 H new ATOM 343 N ARG A 535 -2.406 4.497 -3.595 1.00 0.00 N ATOM 344 CA ARG A 535 -1.759 3.583 -2.675 1.00 0.00 C ATOM 345 C ARG A 535 -0.253 3.643 -2.847 1.00 0.00 C ATOM 346 O ARG A 535 0.264 3.363 -3.927 1.00 0.00 O ATOM 347 CB ARG A 535 -2.241 2.165 -2.964 1.00 0.00 C ATOM 348 CG ARG A 535 -1.711 1.117 -2.006 1.00 0.00 C ATOM 349 CD ARG A 535 -1.412 -0.174 -2.739 1.00 0.00 C ATOM 350 NE ARG A 535 -1.449 -1.345 -1.866 1.00 0.00 N ATOM 351 CZ ARG A 535 -0.636 -2.396 -1.986 1.00 0.00 C ATOM 352 NH1 ARG A 535 0.245 -2.455 -2.976 1.00 0.00 N ATOM 353 NH2 ARG A 535 -0.728 -3.397 -1.125 1.00 0.00 N ATOM 0 H ARG A 535 -1.966 4.565 -4.513 1.00 0.00 H new ATOM 0 HA ARG A 535 -2.010 3.866 -1.653 1.00 0.00 H new ATOM 0 HB2 ARG A 535 -3.330 2.151 -2.932 1.00 0.00 H new ATOM 0 HB3 ARG A 535 -1.948 1.894 -3.978 1.00 0.00 H new ATOM 0 HG2 ARG A 535 -0.806 1.484 -1.521 1.00 0.00 H new ATOM 0 HG3 ARG A 535 -2.442 0.933 -1.219 1.00 0.00 H new ATOM 0 HD2 ARG A 535 -2.135 -0.304 -3.544 1.00 0.00 H new ATOM 0 HD3 ARG A 535 -0.428 -0.103 -3.202 1.00 0.00 H new ATOM 0 HE ARG A 535 -2.141 -1.360 -1.117 1.00 0.00 H new ATOM 0 HH11 ARG A 535 0.304 -1.694 -3.652 1.00 0.00 H new ATOM 0 HH12 ARG A 535 0.863 -3.262 -3.061 1.00 0.00 H new ATOM 0 HH21 ARG A 535 -1.418 -3.362 -0.375 1.00 0.00 H new ATOM 0 HH22 ARG A 535 -0.109 -4.203 -1.212 1.00 0.00 H new ATOM 367 N GLU A 536 0.448 3.999 -1.791 1.00 0.00 N ATOM 368 CA GLU A 536 1.895 4.062 -1.816 1.00 0.00 C ATOM 369 C GLU A 536 2.448 2.997 -0.895 1.00 0.00 C ATOM 370 O GLU A 536 1.911 2.770 0.178 1.00 0.00 O ATOM 371 CB GLU A 536 2.383 5.430 -1.348 1.00 0.00 C ATOM 372 CG GLU A 536 1.923 6.576 -2.223 1.00 0.00 C ATOM 373 CD GLU A 536 2.558 7.893 -1.824 1.00 0.00 C ATOM 374 OE1 GLU A 536 2.696 8.149 -0.608 1.00 0.00 O ATOM 375 OE2 GLU A 536 2.928 8.677 -2.724 1.00 0.00 O ATOM 0 H GLU A 536 0.033 4.252 -0.894 1.00 0.00 H new ATOM 0 HA GLU A 536 2.238 3.899 -2.838 1.00 0.00 H new ATOM 0 HB2 GLU A 536 2.034 5.601 -0.329 1.00 0.00 H new ATOM 0 HB3 GLU A 536 3.473 5.425 -1.315 1.00 0.00 H new ATOM 0 HG2 GLU A 536 2.167 6.357 -3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 536 0.838 6.665 -2.162 1.00 0.00 H new ATOM 382 N VAL A 537 3.504 2.334 -1.307 1.00 0.00 N ATOM 383 CA VAL A 537 4.118 1.325 -0.470 1.00 0.00 C ATOM 384 C VAL A 537 5.524 1.758 -0.117 1.00 0.00 C ATOM 385 O VAL A 537 6.377 1.924 -0.989 1.00 0.00 O ATOM 386 CB VAL A 537 4.155 -0.059 -1.158 1.00 0.00 C ATOM 387 CG1 VAL A 537 4.771 -1.106 -0.242 1.00 0.00 C ATOM 388 CG2 VAL A 537 2.758 -0.488 -1.582 1.00 0.00 C ATOM 0 H VAL A 537 3.955 2.473 -2.211 1.00 0.00 H new ATOM 0 HA VAL A 537 3.514 1.225 0.432 1.00 0.00 H new ATOM 0 HB VAL A 537 4.777 0.028 -2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 537 4.785 -2.070 -0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 537 5.790 -0.814 0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 537 4.179 -1.185 0.670 1.00 0.00 H new ATOM 0 HG21 VAL A 537 2.808 -1.464 -2.064 1.00 0.00 H new ATOM 0 HG22 VAL A 537 2.114 -0.549 -0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 537 2.350 0.241 -2.282 1.00 0.00 H new ATOM 398 N ARG A 538 5.751 1.957 1.160 1.00 0.00 N ATOM 399 CA ARG A 538 7.022 2.462 1.632 1.00 0.00 C ATOM 400 C ARG A 538 7.847 1.333 2.214 1.00 0.00 C ATOM 401 O ARG A 538 7.425 0.675 3.165 1.00 0.00 O ATOM 402 CB ARG A 538 6.796 3.560 2.672 1.00 0.00 C ATOM 403 CG ARG A 538 6.103 4.785 2.101 1.00 0.00 C ATOM 404 CD ARG A 538 5.839 5.834 3.166 1.00 0.00 C ATOM 405 NE ARG A 538 5.238 7.036 2.593 1.00 0.00 N ATOM 406 CZ ARG A 538 4.723 8.033 3.310 1.00 0.00 C ATOM 407 NH1 ARG A 538 4.714 7.971 4.635 1.00 0.00 N ATOM 408 NH2 ARG A 538 4.212 9.092 2.695 1.00 0.00 N ATOM 0 H ARG A 538 5.068 1.776 1.896 1.00 0.00 H new ATOM 0 HA ARG A 538 7.570 2.890 0.792 1.00 0.00 H new ATOM 0 HB2 ARG A 538 6.198 3.160 3.491 1.00 0.00 H new ATOM 0 HB3 ARG A 538 7.756 3.856 3.094 1.00 0.00 H new ATOM 0 HG2 ARG A 538 6.719 5.216 1.312 1.00 0.00 H new ATOM 0 HG3 ARG A 538 5.160 4.488 1.642 1.00 0.00 H new ATOM 0 HD2 ARG A 538 5.177 5.422 3.928 1.00 0.00 H new ATOM 0 HD3 ARG A 538 6.774 6.094 3.662 1.00 0.00 H new ATOM 0 HE ARG A 538 5.211 7.117 1.577 1.00 0.00 H new ATOM 0 HH11 ARG A 538 5.103 7.157 5.110 1.00 0.00 H new ATOM 0 HH12 ARG A 538 4.318 8.738 5.179 1.00 0.00 H new ATOM 0 HH21 ARG A 538 4.214 9.141 1.676 1.00 0.00 H new ATOM 0 HH22 ARG A 538 3.817 9.857 3.241 1.00 0.00 H new ATOM 422 N ILE A 539 9.015 1.099 1.638 1.00 0.00 N ATOM 423 CA ILE A 539 9.882 0.047 2.114 1.00 0.00 C ATOM 424 C ILE A 539 11.168 0.634 2.680 1.00 0.00 C ATOM 425 O ILE A 539 11.897 1.360 2.001 1.00 0.00 O ATOM 426 CB ILE A 539 10.221 -0.929 0.980 1.00 0.00 C ATOM 427 CG1 ILE A 539 8.935 -1.376 0.282 1.00 0.00 C ATOM 428 CG2 ILE A 539 10.984 -2.130 1.519 1.00 0.00 C ATOM 429 CD1 ILE A 539 9.160 -2.341 -0.856 1.00 0.00 C ATOM 0 H ILE A 539 9.379 1.624 0.843 1.00 0.00 H new ATOM 0 HA ILE A 539 9.357 -0.493 2.902 1.00 0.00 H new ATOM 0 HB ILE A 539 10.858 -0.422 0.255 1.00 0.00 H new ATOM 0 HG12 ILE A 539 8.278 -1.842 1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 539 8.415 -0.497 -0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 539 11.216 -2.811 0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 539 11.910 -1.794 1.984 1.00 0.00 H new ATOM 0 HG23 ILE A 539 10.373 -2.647 2.259 1.00 0.00 H new ATOM 0 HD11 ILE A 539 8.201 -2.611 -1.299 1.00 0.00 H new ATOM 0 HD12 ILE A 539 9.790 -1.872 -1.612 1.00 0.00 H new ATOM 0 HD13 ILE A 539 9.651 -3.239 -0.480 1.00 0.00 H new ATOM 441 N LYS A 540 11.423 0.314 3.930 1.00 0.00 N ATOM 442 CA LYS A 540 12.618 0.790 4.602 1.00 0.00 C ATOM 443 C LYS A 540 13.361 -0.334 5.295 1.00 0.00 C ATOM 444 O LYS A 540 12.765 -1.313 5.750 1.00 0.00 O ATOM 445 CB LYS A 540 12.280 1.908 5.593 1.00 0.00 C ATOM 446 CG LYS A 540 11.334 1.499 6.712 1.00 0.00 C ATOM 447 CD LYS A 540 10.933 2.696 7.564 1.00 0.00 C ATOM 448 CE LYS A 540 12.147 3.427 8.122 1.00 0.00 C ATOM 449 NZ LYS A 540 11.759 4.605 8.940 1.00 0.00 N ATOM 0 H LYS A 540 10.820 -0.274 4.504 1.00 0.00 H new ATOM 0 HA LYS A 540 13.279 1.196 3.836 1.00 0.00 H new ATOM 0 HB2 LYS A 540 13.206 2.276 6.035 1.00 0.00 H new ATOM 0 HB3 LYS A 540 11.836 2.739 5.045 1.00 0.00 H new ATOM 0 HG2 LYS A 540 10.443 1.038 6.287 1.00 0.00 H new ATOM 0 HG3 LYS A 540 11.813 0.748 7.340 1.00 0.00 H new ATOM 0 HD2 LYS A 540 10.338 3.385 6.965 1.00 0.00 H new ATOM 0 HD3 LYS A 540 10.301 2.361 8.386 1.00 0.00 H new ATOM 0 HE2 LYS A 540 12.735 2.741 8.731 1.00 0.00 H new ATOM 0 HE3 LYS A 540 12.785 3.751 7.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 540 12.614 5.074 9.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 540 11.219 5.273 8.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 540 11.171 4.294 9.740 1.00 0.00 H new ATOM 463 N LYS A 541 14.673 -0.190 5.350 1.00 0.00 N ATOM 464 CA LYS A 541 15.488 -1.169 6.033 1.00 0.00 C ATOM 465 C LYS A 541 15.291 -1.009 7.533 1.00 0.00 C ATOM 466 O LYS A 541 15.428 0.090 8.070 1.00 0.00 O ATOM 467 CB LYS A 541 16.964 -0.989 5.667 1.00 0.00 C ATOM 468 CG LYS A 541 17.904 -1.891 6.451 1.00 0.00 C ATOM 469 CD LYS A 541 17.644 -3.360 6.168 1.00 0.00 C ATOM 470 CE LYS A 541 18.530 -4.254 7.017 1.00 0.00 C ATOM 471 NZ LYS A 541 19.969 -4.064 6.704 1.00 0.00 N ATOM 0 H LYS A 541 15.188 0.586 4.935 1.00 0.00 H new ATOM 0 HA LYS A 541 15.187 -2.171 5.727 1.00 0.00 H new ATOM 0 HB2 LYS A 541 17.091 -1.185 4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 541 17.247 0.050 5.836 1.00 0.00 H new ATOM 0 HG2 LYS A 541 18.936 -1.649 6.197 1.00 0.00 H new ATOM 0 HG3 LYS A 541 17.785 -1.700 7.518 1.00 0.00 H new ATOM 0 HD2 LYS A 541 16.597 -3.590 6.365 1.00 0.00 H new ATOM 0 HD3 LYS A 541 17.822 -3.566 5.113 1.00 0.00 H new ATOM 0 HE2 LYS A 541 18.357 -4.041 8.072 1.00 0.00 H new ATOM 0 HE3 LYS A 541 18.257 -5.297 6.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 20.527 -4.804 7.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 20.112 -4.125 5.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 20.277 -3.130 7.041 1.00 0.00 H new ATOM 485 N GLY A 542 14.949 -2.093 8.197 1.00 0.00 N ATOM 486 CA GLY A 542 14.722 -2.035 9.620 1.00 0.00 C ATOM 487 C GLY A 542 15.978 -2.339 10.397 1.00 0.00 C ATOM 488 O GLY A 542 16.963 -2.819 9.834 1.00 0.00 O ATOM 0 H GLY A 542 14.824 -3.014 7.777 1.00 0.00 H new ATOM 0 HA2 GLY A 542 14.357 -1.044 9.890 1.00 0.00 H new ATOM 0 HA3 GLY A 542 13.943 -2.747 9.894 1.00 0.00 H new ATOM 492 N SER A 543 15.948 -2.055 11.687 1.00 0.00 N ATOM 493 CA SER A 543 17.080 -2.325 12.554 1.00 0.00 C ATOM 494 C SER A 543 17.266 -3.828 12.719 1.00 0.00 C ATOM 495 O SER A 543 18.364 -4.308 13.008 1.00 0.00 O ATOM 496 CB SER A 543 16.850 -1.668 13.914 1.00 0.00 C ATOM 497 OG SER A 543 16.416 -0.325 13.759 1.00 0.00 O ATOM 0 H SER A 543 15.147 -1.635 12.159 1.00 0.00 H new ATOM 0 HA SER A 543 17.983 -1.911 12.106 1.00 0.00 H new ATOM 0 HB2 SER A 543 16.105 -2.233 14.474 1.00 0.00 H new ATOM 0 HB3 SER A 543 17.772 -1.692 14.495 1.00 0.00 H new ATOM 0 HG SER A 543 16.273 0.076 14.641 1.00 0.00 H new ATOM 503 N HIS A 544 16.179 -4.566 12.537 1.00 0.00 N ATOM 504 CA HIS A 544 16.209 -6.012 12.665 1.00 0.00 C ATOM 505 C HIS A 544 16.052 -6.677 11.303 1.00 0.00 C ATOM 506 O HIS A 544 16.913 -7.445 10.873 1.00 0.00 O ATOM 507 CB HIS A 544 15.107 -6.490 13.614 1.00 0.00 C ATOM 508 CG HIS A 544 15.146 -5.830 14.960 1.00 0.00 C ATOM 509 ND1 HIS A 544 14.020 -5.279 15.522 1.00 0.00 N ATOM 510 CD2 HIS A 544 16.190 -5.658 15.804 1.00 0.00 C ATOM 511 CE1 HIS A 544 14.403 -4.786 16.688 1.00 0.00 C ATOM 512 NE2 HIS A 544 15.709 -4.993 16.901 1.00 0.00 N ATOM 0 H HIS A 544 15.264 -4.183 12.300 1.00 0.00 H new ATOM 0 HA HIS A 544 17.176 -6.295 13.080 1.00 0.00 H new ATOM 0 HB2 HIS A 544 14.137 -6.302 13.154 1.00 0.00 H new ATOM 0 HB3 HIS A 544 15.194 -7.569 13.745 1.00 0.00 H new ATOM 0 HD2 HIS A 544 17.207 -5.983 15.643 1.00 0.00 H new ATOM 0 HE1 HIS A 544 13.746 -4.281 17.380 1.00 0.00 H new ATOM 0 HE2 HIS A 544 16.243 -4.710 17.723 1.00 0.00 H new ATOM 520 N ARG A 545 14.953 -6.373 10.623 1.00 0.00 N ATOM 521 CA ARG A 545 14.650 -6.999 9.342 1.00 0.00 C ATOM 522 C ARG A 545 14.190 -5.978 8.307 1.00 0.00 C ATOM 523 O ARG A 545 14.141 -4.780 8.567 1.00 0.00 O ATOM 524 CB ARG A 545 13.562 -8.062 9.514 1.00 0.00 C ATOM 525 CG ARG A 545 14.005 -9.282 10.299 1.00 0.00 C ATOM 526 CD ARG A 545 12.912 -10.337 10.344 1.00 0.00 C ATOM 527 NE ARG A 545 13.335 -11.528 11.074 1.00 0.00 N ATOM 528 CZ ARG A 545 12.740 -12.715 10.973 1.00 0.00 C ATOM 529 NH1 ARG A 545 11.681 -12.872 10.185 1.00 0.00 N ATOM 530 NH2 ARG A 545 13.203 -13.748 11.666 1.00 0.00 N ATOM 0 H ARG A 545 14.257 -5.697 10.937 1.00 0.00 H new ATOM 0 HA ARG A 545 15.570 -7.462 8.985 1.00 0.00 H new ATOM 0 HB2 ARG A 545 12.706 -7.612 10.016 1.00 0.00 H new ATOM 0 HB3 ARG A 545 13.222 -8.381 8.529 1.00 0.00 H new ATOM 0 HG2 ARG A 545 14.902 -9.704 9.845 1.00 0.00 H new ATOM 0 HG3 ARG A 545 14.271 -8.987 11.314 1.00 0.00 H new ATOM 0 HD2 ARG A 545 12.023 -9.919 10.816 1.00 0.00 H new ATOM 0 HD3 ARG A 545 12.633 -10.614 9.327 1.00 0.00 H new ATOM 0 HE ARG A 545 14.136 -11.446 11.700 1.00 0.00 H new ATOM 0 HH11 ARG A 545 11.319 -12.080 9.653 1.00 0.00 H new ATOM 0 HH12 ARG A 545 11.230 -13.784 10.112 1.00 0.00 H new ATOM 0 HH21 ARG A 545 14.013 -13.632 12.275 1.00 0.00 H new ATOM 0 HH22 ARG A 545 12.749 -14.658 11.590 1.00 0.00 H new ATOM 544 N TRP A 546 13.857 -6.488 7.135 1.00 0.00 N ATOM 545 CA TRP A 546 13.335 -5.651 6.063 1.00 0.00 C ATOM 546 C TRP A 546 11.837 -5.475 6.229 1.00 0.00 C ATOM 547 O TRP A 546 11.098 -6.455 6.328 1.00 0.00 O ATOM 548 CB TRP A 546 13.645 -6.244 4.692 1.00 0.00 C ATOM 549 CG TRP A 546 14.996 -5.864 4.187 1.00 0.00 C ATOM 550 CD1 TRP A 546 16.173 -6.512 4.417 1.00 0.00 C ATOM 551 CD2 TRP A 546 15.308 -4.732 3.369 1.00 0.00 C ATOM 552 NE1 TRP A 546 17.201 -5.852 3.789 1.00 0.00 N ATOM 553 CE2 TRP A 546 16.694 -4.756 3.139 1.00 0.00 C ATOM 554 CE3 TRP A 546 14.548 -3.698 2.806 1.00 0.00 C ATOM 555 CZ2 TRP A 546 17.338 -3.790 2.373 1.00 0.00 C ATOM 556 CZ3 TRP A 546 15.190 -2.740 2.045 1.00 0.00 C ATOM 557 CH2 TRP A 546 16.573 -2.792 1.834 1.00 0.00 C ATOM 0 H TRP A 546 13.938 -7.477 6.899 1.00 0.00 H new ATOM 0 HA TRP A 546 13.824 -4.679 6.124 1.00 0.00 H new ATOM 0 HB2 TRP A 546 13.576 -7.330 4.748 1.00 0.00 H new ATOM 0 HB3 TRP A 546 12.890 -5.913 3.979 1.00 0.00 H new ATOM 0 HD1 TRP A 546 16.281 -7.411 5.006 1.00 0.00 H new ATOM 0 HE1 TRP A 546 18.182 -6.132 3.804 1.00 0.00 H new ATOM 0 HE3 TRP A 546 13.481 -3.651 2.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 546 18.405 -3.826 2.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 546 14.615 -1.938 1.606 1.00 0.00 H new ATOM 0 HH2 TRP A 546 17.046 -2.029 1.234 1.00 0.00 H new ATOM 568 N GLN A 547 11.386 -4.230 6.272 1.00 0.00 N ATOM 569 CA GLN A 547 9.976 -3.950 6.465 1.00 0.00 C ATOM 570 C GLN A 547 9.423 -3.051 5.371 1.00 0.00 C ATOM 571 O GLN A 547 10.125 -2.215 4.801 1.00 0.00 O ATOM 572 CB GLN A 547 9.759 -3.288 7.827 1.00 0.00 C ATOM 573 CG GLN A 547 10.449 -1.941 7.950 1.00 0.00 C ATOM 574 CD GLN A 547 10.363 -1.354 9.341 1.00 0.00 C ATOM 575 OE1 GLN A 547 11.223 -1.604 10.186 1.00 0.00 O ATOM 576 NE2 GLN A 547 9.337 -0.557 9.586 1.00 0.00 N ATOM 0 H GLN A 547 11.975 -3.403 6.176 1.00 0.00 H new ATOM 0 HA GLN A 547 9.443 -4.900 6.422 1.00 0.00 H new ATOM 0 HB2 GLN A 547 8.690 -3.159 7.996 1.00 0.00 H new ATOM 0 HB3 GLN A 547 10.127 -3.951 8.610 1.00 0.00 H new ATOM 0 HG2 GLN A 547 11.497 -2.050 7.673 1.00 0.00 H new ATOM 0 HG3 GLN A 547 10.002 -1.245 7.240 1.00 0.00 H new ATOM 0 HE21 GLN A 547 8.646 -0.376 8.857 1.00 0.00 H new ATOM 0 HE22 GLN A 547 9.236 -0.123 10.504 1.00 0.00 H new ATOM 585 N GLY A 548 8.154 -3.248 5.098 1.00 0.00 N ATOM 586 CA GLY A 548 7.441 -2.411 4.168 1.00 0.00 C ATOM 587 C GLY A 548 6.033 -2.171 4.643 1.00 0.00 C ATOM 588 O GLY A 548 5.458 -3.019 5.324 1.00 0.00 O ATOM 0 H GLY A 548 7.591 -3.990 5.514 1.00 0.00 H new ATOM 0 HA2 GLY A 548 7.960 -1.459 4.056 1.00 0.00 H new ATOM 0 HA3 GLY A 548 7.424 -2.883 3.185 1.00 0.00 H new ATOM 592 N GLU A 549 5.470 -1.034 4.294 1.00 0.00 N ATOM 593 CA GLU A 549 4.120 -0.715 4.709 1.00 0.00 C ATOM 594 C GLU A 549 3.357 -0.066 3.575 1.00 0.00 C ATOM 595 O GLU A 549 3.927 0.611 2.719 1.00 0.00 O ATOM 596 CB GLU A 549 4.107 0.187 5.942 1.00 0.00 C ATOM 597 CG GLU A 549 4.536 1.611 5.660 1.00 0.00 C ATOM 598 CD GLU A 549 4.608 2.459 6.914 1.00 0.00 C ATOM 599 OE1 GLU A 549 4.472 1.903 8.024 1.00 0.00 O ATOM 600 OE2 GLU A 549 4.772 3.690 6.799 1.00 0.00 O ATOM 0 H GLU A 549 5.923 -0.318 3.727 1.00 0.00 H new ATOM 0 HA GLU A 549 3.629 -1.650 4.977 1.00 0.00 H new ATOM 0 HB2 GLU A 549 3.102 0.197 6.363 1.00 0.00 H new ATOM 0 HB3 GLU A 549 4.766 -0.238 6.699 1.00 0.00 H new ATOM 0 HG2 GLU A 549 5.512 1.603 5.175 1.00 0.00 H new ATOM 0 HG3 GLU A 549 3.836 2.065 4.959 1.00 0.00 H new ATOM 607 N THR A 550 2.072 -0.294 3.586 1.00 0.00 N ATOM 608 CA THR A 550 1.212 0.189 2.529 1.00 0.00 C ATOM 609 C THR A 550 0.369 1.365 3.003 1.00 0.00 C ATOM 610 O THR A 550 -0.291 1.299 4.039 1.00 0.00 O ATOM 611 CB THR A 550 0.301 -0.927 2.012 1.00 0.00 C ATOM 612 OG1 THR A 550 1.084 -1.965 1.407 1.00 0.00 O ATOM 613 CG2 THR A 550 -0.696 -0.377 1.014 1.00 0.00 C ATOM 0 H THR A 550 1.590 -0.815 4.319 1.00 0.00 H new ATOM 0 HA THR A 550 1.853 0.525 1.714 1.00 0.00 H new ATOM 0 HB THR A 550 -0.247 -1.346 2.856 1.00 0.00 H new ATOM 0 HG1 THR A 550 1.068 -2.761 1.978 1.00 0.00 H new ATOM 0 HG21 THR A 550 -1.336 -1.184 0.657 1.00 0.00 H new ATOM 0 HG22 THR A 550 -1.308 0.386 1.494 1.00 0.00 H new ATOM 0 HG23 THR A 550 -0.162 0.063 0.172 1.00 0.00 H new ATOM 621 N TRP A 551 0.447 2.453 2.265 1.00 0.00 N ATOM 622 CA TRP A 551 -0.308 3.645 2.583 1.00 0.00 C ATOM 623 C TRP A 551 -1.422 3.846 1.564 1.00 0.00 C ATOM 624 O TRP A 551 -1.303 3.477 0.396 1.00 0.00 O ATOM 625 CB TRP A 551 0.588 4.882 2.607 1.00 0.00 C ATOM 626 CG TRP A 551 1.246 5.112 3.926 1.00 0.00 C ATOM 627 CD1 TRP A 551 2.195 4.333 4.504 1.00 0.00 C ATOM 628 CD2 TRP A 551 1.002 6.193 4.831 1.00 0.00 C ATOM 629 NE1 TRP A 551 2.562 4.860 5.717 1.00 0.00 N ATOM 630 CE2 TRP A 551 1.845 6.003 5.939 1.00 0.00 C ATOM 631 CE3 TRP A 551 0.154 7.303 4.811 1.00 0.00 C ATOM 632 CZ2 TRP A 551 1.865 6.880 7.019 1.00 0.00 C ATOM 633 CZ3 TRP A 551 0.175 8.174 5.883 1.00 0.00 C ATOM 634 CH2 TRP A 551 1.026 7.958 6.974 1.00 0.00 C ATOM 0 H TRP A 551 1.032 2.535 1.433 1.00 0.00 H new ATOM 0 HA TRP A 551 -0.737 3.511 3.576 1.00 0.00 H new ATOM 0 HB2 TRP A 551 1.355 4.781 1.839 1.00 0.00 H new ATOM 0 HB3 TRP A 551 -0.007 5.758 2.349 1.00 0.00 H new ATOM 0 HD1 TRP A 551 2.602 3.430 4.073 1.00 0.00 H new ATOM 0 HE1 TRP A 551 3.257 4.464 6.350 1.00 0.00 H new ATOM 0 HE3 TRP A 551 -0.505 7.477 3.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 2.520 6.715 7.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 -0.476 9.036 5.880 1.00 0.00 H new ATOM 0 HH2 TRP A 551 1.019 8.658 7.797 1.00 0.00 H new ATOM 645 N TYR A 552 -2.493 4.433 2.040 1.00 0.00 N ATOM 646 CA TYR A 552 -3.630 4.761 1.190 1.00 0.00 C ATOM 647 C TYR A 552 -4.102 6.179 1.451 1.00 0.00 C ATOM 648 O TYR A 552 -3.932 6.709 2.547 1.00 0.00 O ATOM 649 CB TYR A 552 -4.788 3.779 1.412 1.00 0.00 C ATOM 650 CG TYR A 552 -4.744 2.520 0.558 1.00 0.00 C ATOM 651 CD1 TYR A 552 -5.373 2.481 -0.681 1.00 0.00 C ATOM 652 CD2 TYR A 552 -4.117 1.362 1.004 1.00 0.00 C ATOM 653 CE1 TYR A 552 -5.372 1.333 -1.450 1.00 0.00 C ATOM 654 CE2 TYR A 552 -4.121 0.208 0.244 1.00 0.00 C ATOM 655 CZ TYR A 552 -4.747 0.198 -0.981 1.00 0.00 C ATOM 656 OH TYR A 552 -4.758 -0.956 -1.734 1.00 0.00 O ATOM 0 H TYR A 552 -2.609 4.698 3.018 1.00 0.00 H new ATOM 0 HA TYR A 552 -3.301 4.681 0.154 1.00 0.00 H new ATOM 0 HB2 TYR A 552 -4.798 3.486 2.462 1.00 0.00 H new ATOM 0 HB3 TYR A 552 -5.726 4.299 1.217 1.00 0.00 H new ATOM 0 HD1 TYR A 552 -5.872 3.365 -1.050 1.00 0.00 H new ATOM 0 HD2 TYR A 552 -3.618 1.364 1.962 1.00 0.00 H new ATOM 0 HE1 TYR A 552 -5.859 1.325 -2.414 1.00 0.00 H new ATOM 0 HE2 TYR A 552 -3.634 -0.684 0.611 1.00 0.00 H new ATOM 0 HH TYR A 552 -3.977 -0.968 -2.326 1.00 0.00 H new ATOM 666 N TYR A 553 -4.688 6.802 0.444 1.00 0.00 N ATOM 667 CA TYR A 553 -5.159 8.169 0.567 1.00 0.00 C ATOM 668 C TYR A 553 -6.562 8.299 -0.005 1.00 0.00 C ATOM 669 O TYR A 553 -6.842 7.802 -1.100 1.00 0.00 O ATOM 670 CB TYR A 553 -4.215 9.125 -0.173 1.00 0.00 C ATOM 671 CG TYR A 553 -2.767 9.036 0.265 1.00 0.00 C ATOM 672 CD1 TYR A 553 -1.923 8.052 -0.238 1.00 0.00 C ATOM 673 CD2 TYR A 553 -2.247 9.934 1.184 1.00 0.00 C ATOM 674 CE1 TYR A 553 -0.605 7.968 0.165 1.00 0.00 C ATOM 675 CE2 TYR A 553 -0.930 9.858 1.590 1.00 0.00 C ATOM 676 CZ TYR A 553 -0.113 8.874 1.080 1.00 0.00 C ATOM 677 OH TYR A 553 1.201 8.796 1.488 1.00 0.00 O ATOM 0 H TYR A 553 -4.849 6.381 -0.471 1.00 0.00 H new ATOM 0 HA TYR A 553 -5.179 8.431 1.625 1.00 0.00 H new ATOM 0 HB2 TYR A 553 -4.272 8.918 -1.242 1.00 0.00 H new ATOM 0 HB3 TYR A 553 -4.564 10.147 -0.027 1.00 0.00 H new ATOM 0 HD1 TYR A 553 -2.305 7.341 -0.956 1.00 0.00 H new ATOM 0 HD2 TYR A 553 -2.883 10.707 1.589 1.00 0.00 H new ATOM 0 HE1 TYR A 553 0.037 7.197 -0.234 1.00 0.00 H new ATOM 0 HE2 TYR A 553 -0.542 10.568 2.305 1.00 0.00 H new ATOM 0 HH TYR A 553 1.710 8.255 0.849 1.00 0.00 H new ATOM 687 N GLY A 554 -7.439 8.951 0.746 1.00 0.00 N ATOM 688 CA GLY A 554 -8.781 9.207 0.271 1.00 0.00 C ATOM 689 C GLY A 554 -8.799 10.210 -0.867 1.00 0.00 C ATOM 690 O GLY A 554 -8.069 11.204 -0.833 1.00 0.00 O ATOM 0 H GLY A 554 -7.242 9.308 1.681 1.00 0.00 H new ATOM 0 HA2 GLY A 554 -9.232 8.272 -0.062 1.00 0.00 H new ATOM 0 HA3 GLY A 554 -9.392 9.580 1.093 1.00 0.00 H new ATOM 694 N PRO A 555 -9.629 9.977 -1.893 1.00 0.00 N ATOM 695 CA PRO A 555 -9.722 10.858 -3.061 1.00 0.00 C ATOM 696 C PRO A 555 -10.546 12.106 -2.780 1.00 0.00 C ATOM 697 O PRO A 555 -10.624 13.016 -3.604 1.00 0.00 O ATOM 698 CB PRO A 555 -10.429 9.987 -4.093 1.00 0.00 C ATOM 699 CG PRO A 555 -11.287 9.072 -3.288 1.00 0.00 C ATOM 700 CD PRO A 555 -10.541 8.821 -2.004 1.00 0.00 C ATOM 0 HA PRO A 555 -8.745 11.223 -3.377 1.00 0.00 H new ATOM 0 HB2 PRO A 555 -11.026 10.589 -4.778 1.00 0.00 H new ATOM 0 HB3 PRO A 555 -9.714 9.430 -4.698 1.00 0.00 H new ATOM 0 HG2 PRO A 555 -12.260 9.522 -3.092 1.00 0.00 H new ATOM 0 HG3 PRO A 555 -11.469 8.139 -3.821 1.00 0.00 H new ATOM 0 HD2 PRO A 555 -11.219 8.763 -1.152 1.00 0.00 H new ATOM 0 HD3 PRO A 555 -9.992 7.880 -2.038 1.00 0.00 H new ATOM 708 N CYS A 556 -11.163 12.138 -1.613 1.00 0.00 N ATOM 709 CA CYS A 556 -12.040 13.230 -1.242 1.00 0.00 C ATOM 710 C CYS A 556 -11.862 13.575 0.231 1.00 0.00 C ATOM 711 O CYS A 556 -12.576 14.421 0.772 1.00 0.00 O ATOM 712 CB CYS A 556 -13.499 12.850 -1.533 1.00 0.00 C ATOM 713 SG CYS A 556 -14.691 14.183 -1.265 1.00 0.00 S ATOM 0 H CYS A 556 -11.071 11.413 -0.901 1.00 0.00 H new ATOM 0 HA CYS A 556 -11.781 14.108 -1.833 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -13.574 12.515 -2.568 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -13.773 12.003 -0.904 1.00 0.00 H new ATOM 0 HG CYS A 556 -14.340 14.876 -0.223 1.00 0.00 H new ATOM 719 N GLY A 557 -10.896 12.935 0.883 1.00 0.00 N ATOM 720 CA GLY A 557 -10.809 13.030 2.321 1.00 0.00 C ATOM 721 C GLY A 557 -9.418 12.753 2.856 1.00 0.00 C ATOM 722 O GLY A 557 -8.416 13.001 2.182 1.00 0.00 O ATOM 0 H GLY A 557 -10.180 12.358 0.442 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -11.118 14.028 2.632 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -11.510 12.325 2.768 1.00 0.00 H new ATOM 726 N LYS A 558 -9.382 12.219 4.066 1.00 0.00 N ATOM 727 CA LYS A 558 -8.130 11.978 4.782 1.00 0.00 C ATOM 728 C LYS A 558 -7.378 10.775 4.220 1.00 0.00 C ATOM 729 O LYS A 558 -7.811 10.155 3.248 1.00 0.00 O ATOM 730 CB LYS A 558 -8.380 11.786 6.286 1.00 0.00 C ATOM 731 CG LYS A 558 -9.289 10.620 6.650 1.00 0.00 C ATOM 732 CD LYS A 558 -10.744 11.048 6.722 1.00 0.00 C ATOM 733 CE LYS A 558 -11.601 10.002 7.405 1.00 0.00 C ATOM 734 NZ LYS A 558 -13.018 10.428 7.484 1.00 0.00 N ATOM 0 H LYS A 558 -10.216 11.939 4.583 1.00 0.00 H new ATOM 0 HA LYS A 558 -7.509 12.862 4.639 1.00 0.00 H new ATOM 0 HB2 LYS A 558 -7.420 11.646 6.782 1.00 0.00 H new ATOM 0 HB3 LYS A 558 -8.814 12.702 6.685 1.00 0.00 H new ATOM 0 HG2 LYS A 558 -9.178 9.827 5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 558 -8.983 10.205 7.610 1.00 0.00 H new ATOM 0 HD2 LYS A 558 -10.820 11.991 7.263 1.00 0.00 H new ATOM 0 HD3 LYS A 558 -11.121 11.227 5.715 1.00 0.00 H new ATOM 0 HE2 LYS A 558 -11.533 9.061 6.859 1.00 0.00 H new ATOM 0 HE3 LYS A 558 -11.219 9.816 8.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 558 -13.577 9.689 7.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 558 -13.085 11.313 8.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 558 -13.388 10.581 6.524 1.00 0.00 H new ATOM 748 N ARG A 559 -6.255 10.441 4.843 1.00 0.00 N ATOM 749 CA ARG A 559 -5.447 9.324 4.383 1.00 0.00 C ATOM 750 C ARG A 559 -5.322 8.267 5.470 1.00 0.00 C ATOM 751 O ARG A 559 -5.190 8.584 6.655 1.00 0.00 O ATOM 752 CB ARG A 559 -4.059 9.789 3.915 1.00 0.00 C ATOM 753 CG ARG A 559 -3.026 9.991 5.020 1.00 0.00 C ATOM 754 CD ARG A 559 -3.322 11.206 5.884 1.00 0.00 C ATOM 755 NE ARG A 559 -2.207 11.514 6.779 1.00 0.00 N ATOM 756 CZ ARG A 559 -2.338 11.879 8.054 1.00 0.00 C ATOM 757 NH1 ARG A 559 -3.541 11.983 8.606 1.00 0.00 N ATOM 758 NH2 ARG A 559 -1.260 12.145 8.776 1.00 0.00 N ATOM 0 H ARG A 559 -5.887 10.925 5.662 1.00 0.00 H new ATOM 0 HA ARG A 559 -5.953 8.880 3.526 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -3.670 9.057 3.207 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -4.173 10.728 3.373 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -2.994 9.102 5.649 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -2.038 10.100 4.573 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -3.526 12.066 5.246 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -4.222 11.025 6.472 1.00 0.00 H new ATOM 0 HE ARG A 559 -1.262 11.445 6.401 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -4.375 11.783 8.053 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -3.632 12.263 9.583 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -0.334 12.070 8.356 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -1.356 12.425 9.752 1.00 0.00 H new ATOM 772 N MET A 560 -5.383 7.016 5.058 1.00 0.00 N ATOM 773 CA MET A 560 -5.336 5.908 5.993 1.00 0.00 C ATOM 774 C MET A 560 -4.262 4.908 5.598 1.00 0.00 C ATOM 775 O MET A 560 -3.973 4.730 4.422 1.00 0.00 O ATOM 776 CB MET A 560 -6.695 5.199 6.080 1.00 0.00 C ATOM 777 CG MET A 560 -7.837 6.072 6.596 1.00 0.00 C ATOM 778 SD MET A 560 -8.419 7.285 5.394 1.00 0.00 S ATOM 779 CE MET A 560 -8.848 6.220 4.022 1.00 0.00 C ATOM 0 H MET A 560 -5.465 6.740 4.079 1.00 0.00 H new ATOM 0 HA MET A 560 -5.092 6.319 6.973 1.00 0.00 H new ATOM 0 HB2 MET A 560 -6.959 4.826 5.090 1.00 0.00 H new ATOM 0 HB3 MET A 560 -6.596 4.331 6.732 1.00 0.00 H new ATOM 0 HG2 MET A 560 -8.670 5.432 6.886 1.00 0.00 H new ATOM 0 HG3 MET A 560 -7.507 6.593 7.495 1.00 0.00 H new ATOM 0 HE1 MET A 560 -9.627 6.693 3.424 1.00 0.00 H new ATOM 0 HE2 MET A 560 -7.967 6.052 3.403 1.00 0.00 H new ATOM 0 HE3 MET A 560 -9.212 5.265 4.402 1.00 0.00 H new ATOM 789 N LYS A 561 -3.678 4.250 6.582 1.00 0.00 N ATOM 790 CA LYS A 561 -2.713 3.200 6.313 1.00 0.00 C ATOM 791 C LYS A 561 -3.001 2.002 7.209 1.00 0.00 C ATOM 792 O LYS A 561 -2.215 1.057 7.296 1.00 0.00 O ATOM 793 CB LYS A 561 -1.275 3.696 6.489 1.00 0.00 C ATOM 794 CG LYS A 561 -0.929 4.200 7.887 1.00 0.00 C ATOM 795 CD LYS A 561 -0.191 3.153 8.712 1.00 0.00 C ATOM 796 CE LYS A 561 1.222 2.925 8.194 1.00 0.00 C ATOM 797 NZ LYS A 561 1.994 1.995 9.061 1.00 0.00 N ATOM 0 H LYS A 561 -3.854 4.423 7.572 1.00 0.00 H new ATOM 0 HA LYS A 561 -2.813 2.894 5.272 1.00 0.00 H new ATOM 0 HB2 LYS A 561 -0.594 2.884 6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 561 -1.095 4.500 5.775 1.00 0.00 H new ATOM 0 HG2 LYS A 561 -0.313 5.096 7.806 1.00 0.00 H new ATOM 0 HG3 LYS A 561 -1.844 4.488 8.404 1.00 0.00 H new ATOM 0 HD2 LYS A 561 -0.150 3.472 9.753 1.00 0.00 H new ATOM 0 HD3 LYS A 561 -0.744 2.214 8.688 1.00 0.00 H new ATOM 0 HE2 LYS A 561 1.176 2.522 7.182 1.00 0.00 H new ATOM 0 HE3 LYS A 561 1.744 3.880 8.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 3.012 2.135 8.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 1.771 2.185 10.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 1.739 1.013 8.830 1.00 0.00 H new ATOM 811 N GLN A 562 -4.150 2.059 7.869 1.00 0.00 N ATOM 812 CA GLN A 562 -4.613 0.968 8.706 1.00 0.00 C ATOM 813 C GLN A 562 -5.912 0.409 8.150 1.00 0.00 C ATOM 814 O GLN A 562 -6.738 1.153 7.615 1.00 0.00 O ATOM 815 CB GLN A 562 -4.848 1.441 10.142 1.00 0.00 C ATOM 816 CG GLN A 562 -3.640 2.081 10.806 1.00 0.00 C ATOM 817 CD GLN A 562 -2.703 1.087 11.477 1.00 0.00 C ATOM 818 OE1 GLN A 562 -2.047 1.417 12.464 1.00 0.00 O ATOM 819 NE2 GLN A 562 -2.633 -0.133 10.969 1.00 0.00 N ATOM 0 H GLN A 562 -4.782 2.859 7.838 1.00 0.00 H new ATOM 0 HA GLN A 562 -3.844 0.195 8.711 1.00 0.00 H new ATOM 0 HB2 GLN A 562 -5.669 2.158 10.144 1.00 0.00 H new ATOM 0 HB3 GLN A 562 -5.167 0.589 10.743 1.00 0.00 H new ATOM 0 HG2 GLN A 562 -3.082 2.642 10.057 1.00 0.00 H new ATOM 0 HG3 GLN A 562 -3.985 2.799 11.550 1.00 0.00 H new ATOM 0 HE21 GLN A 562 -3.189 -0.377 10.150 1.00 0.00 H new ATOM 0 HE22 GLN A 562 -2.023 -0.829 11.397 1.00 0.00 H new ATOM 828 N PHE A 563 -6.093 -0.892 8.296 1.00 0.00 N ATOM 829 CA PHE A 563 -7.306 -1.564 7.850 1.00 0.00 C ATOM 830 C PHE A 563 -8.553 -1.013 8.562 1.00 0.00 C ATOM 831 O PHE A 563 -9.529 -0.651 7.899 1.00 0.00 O ATOM 832 CB PHE A 563 -7.176 -3.075 8.075 1.00 0.00 C ATOM 833 CG PHE A 563 -8.283 -3.890 7.463 1.00 0.00 C ATOM 834 CD1 PHE A 563 -8.811 -3.556 6.224 1.00 0.00 C ATOM 835 CD2 PHE A 563 -8.791 -4.995 8.126 1.00 0.00 C ATOM 836 CE1 PHE A 563 -9.824 -4.310 5.662 1.00 0.00 C ATOM 837 CE2 PHE A 563 -9.802 -5.752 7.566 1.00 0.00 C ATOM 838 CZ PHE A 563 -10.318 -5.409 6.334 1.00 0.00 C ATOM 0 H PHE A 563 -5.407 -1.513 8.725 1.00 0.00 H new ATOM 0 HA PHE A 563 -7.430 -1.371 6.784 1.00 0.00 H new ATOM 0 HB2 PHE A 563 -6.224 -3.411 7.665 1.00 0.00 H new ATOM 0 HB3 PHE A 563 -7.147 -3.270 9.147 1.00 0.00 H new ATOM 0 HD1 PHE A 563 -8.426 -2.698 5.693 1.00 0.00 H new ATOM 0 HD2 PHE A 563 -8.392 -5.268 9.092 1.00 0.00 H new ATOM 0 HE1 PHE A 563 -10.228 -4.039 4.698 1.00 0.00 H new ATOM 0 HE2 PHE A 563 -10.188 -6.612 8.093 1.00 0.00 H new ATOM 0 HZ PHE A 563 -11.108 -6.000 5.896 1.00 0.00 H new ATOM 848 N PRO A 564 -8.544 -0.902 9.915 1.00 0.00 N ATOM 849 CA PRO A 564 -9.710 -0.417 10.670 1.00 0.00 C ATOM 850 C PRO A 564 -10.020 1.052 10.393 1.00 0.00 C ATOM 851 O PRO A 564 -11.082 1.552 10.764 1.00 0.00 O ATOM 852 CB PRO A 564 -9.301 -0.609 12.131 1.00 0.00 C ATOM 853 CG PRO A 564 -7.816 -0.585 12.106 1.00 0.00 C ATOM 854 CD PRO A 564 -7.423 -1.238 10.818 1.00 0.00 C ATOM 0 HA PRO A 564 -10.617 -0.954 10.394 1.00 0.00 H new ATOM 0 HB2 PRO A 564 -9.700 0.184 12.763 1.00 0.00 H new ATOM 0 HB3 PRO A 564 -9.676 -1.552 12.528 1.00 0.00 H new ATOM 0 HG2 PRO A 564 -7.440 0.437 12.158 1.00 0.00 H new ATOM 0 HG3 PRO A 564 -7.401 -1.121 12.960 1.00 0.00 H new ATOM 0 HD2 PRO A 564 -6.475 -0.852 10.444 1.00 0.00 H new ATOM 0 HD3 PRO A 564 -7.306 -2.316 10.932 1.00 0.00 H new ATOM 862 N GLU A 565 -9.099 1.729 9.718 1.00 0.00 N ATOM 863 CA GLU A 565 -9.286 3.122 9.321 1.00 0.00 C ATOM 864 C GLU A 565 -9.991 3.218 7.972 1.00 0.00 C ATOM 865 O GLU A 565 -10.643 4.213 7.664 1.00 0.00 O ATOM 866 CB GLU A 565 -7.940 3.844 9.266 1.00 0.00 C ATOM 867 CG GLU A 565 -7.318 4.087 10.631 1.00 0.00 C ATOM 868 CD GLU A 565 -8.143 5.028 11.483 1.00 0.00 C ATOM 869 OE1 GLU A 565 -8.189 6.236 11.171 1.00 0.00 O ATOM 870 OE2 GLU A 565 -8.746 4.567 12.472 1.00 0.00 O ATOM 0 H GLU A 565 -8.205 1.331 9.431 1.00 0.00 H new ATOM 0 HA GLU A 565 -9.916 3.604 10.069 1.00 0.00 H new ATOM 0 HB2 GLU A 565 -7.248 3.258 8.661 1.00 0.00 H new ATOM 0 HB3 GLU A 565 -8.072 4.801 8.762 1.00 0.00 H new ATOM 0 HG2 GLU A 565 -7.206 3.135 11.150 1.00 0.00 H new ATOM 0 HG3 GLU A 565 -6.318 4.500 10.503 1.00 0.00 H new ATOM 877 N VAL A 566 -9.829 2.193 7.160 1.00 0.00 N ATOM 878 CA VAL A 566 -10.471 2.168 5.854 1.00 0.00 C ATOM 879 C VAL A 566 -11.946 1.767 5.976 1.00 0.00 C ATOM 880 O VAL A 566 -12.820 2.376 5.355 1.00 0.00 O ATOM 881 CB VAL A 566 -9.730 1.243 4.865 1.00 0.00 C ATOM 882 CG1 VAL A 566 -10.536 1.072 3.587 1.00 0.00 C ATOM 883 CG2 VAL A 566 -8.345 1.808 4.549 1.00 0.00 C ATOM 0 H VAL A 566 -9.264 1.371 7.375 1.00 0.00 H new ATOM 0 HA VAL A 566 -10.422 3.180 5.451 1.00 0.00 H new ATOM 0 HB VAL A 566 -9.611 0.264 5.330 1.00 0.00 H new ATOM 0 HG11 VAL A 566 -9.998 0.417 2.902 1.00 0.00 H new ATOM 0 HG12 VAL A 566 -11.505 0.632 3.824 1.00 0.00 H new ATOM 0 HG13 VAL A 566 -10.684 2.044 3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 566 -7.833 1.146 3.851 1.00 0.00 H new ATOM 0 HG22 VAL A 566 -8.449 2.797 4.102 1.00 0.00 H new ATOM 0 HG23 VAL A 566 -7.765 1.884 5.469 1.00 0.00 H new ATOM 893 N ILE A 567 -12.218 0.753 6.799 1.00 0.00 N ATOM 894 CA ILE A 567 -13.585 0.242 6.991 1.00 0.00 C ATOM 895 C ILE A 567 -14.520 1.333 7.505 1.00 0.00 C ATOM 896 O ILE A 567 -15.712 1.351 7.187 1.00 0.00 O ATOM 897 CB ILE A 567 -13.628 -0.952 7.970 1.00 0.00 C ATOM 898 CG1 ILE A 567 -12.458 -1.894 7.712 1.00 0.00 C ATOM 899 CG2 ILE A 567 -14.944 -1.706 7.837 1.00 0.00 C ATOM 900 CD1 ILE A 567 -12.317 -2.304 6.268 1.00 0.00 C ATOM 0 H ILE A 567 -11.510 0.265 7.347 1.00 0.00 H new ATOM 0 HA ILE A 567 -13.921 -0.095 6.011 1.00 0.00 H new ATOM 0 HB ILE A 567 -13.549 -0.564 8.986 1.00 0.00 H new ATOM 0 HG12 ILE A 567 -11.536 -1.411 8.035 1.00 0.00 H new ATOM 0 HG13 ILE A 567 -12.581 -2.788 8.324 1.00 0.00 H new ATOM 0 HG21 ILE A 567 -14.956 -2.544 8.535 1.00 0.00 H new ATOM 0 HG22 ILE A 567 -15.772 -1.034 8.062 1.00 0.00 H new ATOM 0 HG23 ILE A 567 -15.047 -2.081 6.819 1.00 0.00 H new ATOM 0 HD11 ILE A 567 -11.464 -2.974 6.162 1.00 0.00 H new ATOM 0 HD12 ILE A 567 -13.223 -2.817 5.945 1.00 0.00 H new ATOM 0 HD13 ILE A 567 -12.162 -1.418 5.652 1.00 0.00 H new ATOM 912 N LYS A 568 -13.956 2.251 8.272 1.00 0.00 N ATOM 913 CA LYS A 568 -14.741 3.353 8.809 1.00 0.00 C ATOM 914 C LYS A 568 -15.051 4.380 7.731 1.00 0.00 C ATOM 915 O LYS A 568 -16.146 4.926 7.692 1.00 0.00 O ATOM 916 CB LYS A 568 -14.059 4.001 10.011 1.00 0.00 C ATOM 917 CG LYS A 568 -12.646 4.454 9.740 1.00 0.00 C ATOM 918 CD LYS A 568 -12.018 5.107 10.959 1.00 0.00 C ATOM 919 CE LYS A 568 -11.960 4.150 12.137 1.00 0.00 C ATOM 920 NZ LYS A 568 -11.247 4.736 13.298 1.00 0.00 N ATOM 0 H LYS A 568 -12.971 2.258 8.535 1.00 0.00 H new ATOM 0 HA LYS A 568 -15.686 2.939 9.160 1.00 0.00 H new ATOM 0 HB2 LYS A 568 -14.650 4.859 10.333 1.00 0.00 H new ATOM 0 HB3 LYS A 568 -14.050 3.291 10.838 1.00 0.00 H new ATOM 0 HG2 LYS A 568 -12.043 3.599 9.435 1.00 0.00 H new ATOM 0 HG3 LYS A 568 -12.644 5.159 8.909 1.00 0.00 H new ATOM 0 HD2 LYS A 568 -11.011 5.445 10.714 1.00 0.00 H new ATOM 0 HD3 LYS A 568 -12.592 5.991 11.235 1.00 0.00 H new ATOM 0 HE2 LYS A 568 -12.973 3.879 12.434 1.00 0.00 H new ATOM 0 HE3 LYS A 568 -11.461 3.230 11.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 -11.431 4.161 14.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 -10.225 4.752 13.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 -11.584 5.707 13.458 1.00 0.00 H new ATOM 934 N TYR A 569 -14.107 4.605 6.824 1.00 0.00 N ATOM 935 CA TYR A 569 -14.243 5.624 5.792 1.00 0.00 C ATOM 936 C TYR A 569 -15.404 5.283 4.874 1.00 0.00 C ATOM 937 O TYR A 569 -16.210 6.144 4.522 1.00 0.00 O ATOM 938 CB TYR A 569 -12.939 5.719 4.986 1.00 0.00 C ATOM 939 CG TYR A 569 -12.874 6.887 4.024 1.00 0.00 C ATOM 940 CD1 TYR A 569 -13.567 6.868 2.820 1.00 0.00 C ATOM 941 CD2 TYR A 569 -12.111 8.007 4.324 1.00 0.00 C ATOM 942 CE1 TYR A 569 -13.502 7.934 1.942 1.00 0.00 C ATOM 943 CE2 TYR A 569 -12.039 9.079 3.455 1.00 0.00 C ATOM 944 CZ TYR A 569 -12.735 9.038 2.264 1.00 0.00 C ATOM 945 OH TYR A 569 -12.671 10.108 1.398 1.00 0.00 O ATOM 0 H TYR A 569 -13.229 4.088 6.784 1.00 0.00 H new ATOM 0 HA TYR A 569 -14.442 6.587 6.262 1.00 0.00 H new ATOM 0 HB2 TYR A 569 -12.103 5.791 5.681 1.00 0.00 H new ATOM 0 HB3 TYR A 569 -12.807 4.795 4.424 1.00 0.00 H new ATOM 0 HD1 TYR A 569 -14.166 6.006 2.566 1.00 0.00 H new ATOM 0 HD2 TYR A 569 -11.563 8.041 5.254 1.00 0.00 H new ATOM 0 HE1 TYR A 569 -14.047 7.904 1.010 1.00 0.00 H new ATOM 0 HE2 TYR A 569 -11.442 9.943 3.706 1.00 0.00 H new ATOM 0 HH TYR A 569 -13.510 10.174 0.897 1.00 0.00 H new ATOM 955 N LEU A 570 -15.496 4.009 4.531 1.00 0.00 N ATOM 956 CA LEU A 570 -16.512 3.529 3.611 1.00 0.00 C ATOM 957 C LEU A 570 -17.890 3.654 4.241 1.00 0.00 C ATOM 958 O LEU A 570 -18.852 4.064 3.599 1.00 0.00 O ATOM 959 CB LEU A 570 -16.235 2.067 3.259 1.00 0.00 C ATOM 960 CG LEU A 570 -14.787 1.749 2.881 1.00 0.00 C ATOM 961 CD1 LEU A 570 -14.640 0.281 2.542 1.00 0.00 C ATOM 962 CD2 LEU A 570 -14.329 2.606 1.717 1.00 0.00 C ATOM 0 H LEU A 570 -14.872 3.282 4.881 1.00 0.00 H new ATOM 0 HA LEU A 570 -16.484 4.132 2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -16.516 1.446 4.110 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -16.881 1.782 2.429 1.00 0.00 H new ATOM 0 HG LEU A 570 -14.156 1.976 3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -13.604 0.071 2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -14.922 -0.322 3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -15.288 0.035 1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -13.297 2.360 1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -14.966 2.416 0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -14.395 3.659 1.992 1.00 0.00 H new ATOM 974 N SER A 571 -17.957 3.300 5.511 1.00 0.00 N ATOM 975 CA SER A 571 -19.202 3.299 6.259 1.00 0.00 C ATOM 976 C SER A 571 -19.669 4.724 6.583 1.00 0.00 C ATOM 977 O SER A 571 -20.858 5.039 6.492 1.00 0.00 O ATOM 978 CB SER A 571 -18.991 2.501 7.542 1.00 0.00 C ATOM 979 OG SER A 571 -18.482 1.204 7.258 1.00 0.00 O ATOM 0 H SER A 571 -17.147 3.004 6.055 1.00 0.00 H new ATOM 0 HA SER A 571 -19.983 2.840 5.652 1.00 0.00 H new ATOM 0 HB2 SER A 571 -18.299 3.032 8.195 1.00 0.00 H new ATOM 0 HB3 SER A 571 -19.935 2.415 8.080 1.00 0.00 H new ATOM 0 HG SER A 571 -17.503 1.233 7.243 1.00 0.00 H new ATOM 985 N ARG A 572 -18.721 5.581 6.953 1.00 0.00 N ATOM 986 CA ARG A 572 -19.024 6.951 7.371 1.00 0.00 C ATOM 987 C ARG A 572 -19.325 7.844 6.176 1.00 0.00 C ATOM 988 O ARG A 572 -19.888 8.929 6.324 1.00 0.00 O ATOM 989 CB ARG A 572 -17.850 7.519 8.174 1.00 0.00 C ATOM 990 CG ARG A 572 -17.610 6.765 9.469 1.00 0.00 C ATOM 991 CD ARG A 572 -16.315 7.172 10.153 1.00 0.00 C ATOM 992 NE ARG A 572 -16.128 6.439 11.405 1.00 0.00 N ATOM 993 CZ ARG A 572 -15.261 6.778 12.358 1.00 0.00 C ATOM 994 NH1 ARG A 572 -14.504 7.855 12.224 1.00 0.00 N ATOM 995 NH2 ARG A 572 -15.155 6.031 13.448 1.00 0.00 N ATOM 0 H ARG A 572 -17.728 5.350 6.972 1.00 0.00 H new ATOM 0 HA ARG A 572 -19.915 6.926 7.999 1.00 0.00 H new ATOM 0 HB2 ARG A 572 -16.947 7.484 7.565 1.00 0.00 H new ATOM 0 HB3 ARG A 572 -18.042 8.568 8.399 1.00 0.00 H new ATOM 0 HG2 ARG A 572 -18.445 6.941 10.147 1.00 0.00 H new ATOM 0 HG3 ARG A 572 -17.587 5.695 9.263 1.00 0.00 H new ATOM 0 HD2 ARG A 572 -15.473 6.982 9.487 1.00 0.00 H new ATOM 0 HD3 ARG A 572 -16.327 8.243 10.353 1.00 0.00 H new ATOM 0 HE ARG A 572 -16.702 5.610 11.559 1.00 0.00 H new ATOM 0 HH11 ARG A 572 -14.582 8.432 11.387 1.00 0.00 H new ATOM 0 HH12 ARG A 572 -13.843 8.108 12.958 1.00 0.00 H new ATOM 0 HH21 ARG A 572 -15.736 5.200 13.555 1.00 0.00 H new ATOM 0 HH22 ARG A 572 -14.492 6.288 14.180 1.00 0.00 H new ATOM 1009 N ASN A 573 -18.938 7.385 5.001 1.00 0.00 N ATOM 1010 CA ASN A 573 -19.171 8.123 3.767 1.00 0.00 C ATOM 1011 C ASN A 573 -19.960 7.255 2.799 1.00 0.00 C ATOM 1012 O ASN A 573 -20.516 6.232 3.197 1.00 0.00 O ATOM 1013 CB ASN A 573 -17.834 8.539 3.149 1.00 0.00 C ATOM 1014 CG ASN A 573 -17.081 9.532 4.012 1.00 0.00 C ATOM 1015 OD1 ASN A 573 -17.186 10.745 3.824 1.00 0.00 O ATOM 1016 ND2 ASN A 573 -16.332 9.024 4.983 1.00 0.00 N ATOM 0 H ASN A 573 -18.456 6.496 4.871 1.00 0.00 H new ATOM 0 HA ASN A 573 -19.746 9.023 3.983 1.00 0.00 H new ATOM 0 HB2 ASN A 573 -17.217 7.654 2.996 1.00 0.00 H new ATOM 0 HB3 ASN A 573 -18.012 8.977 2.167 1.00 0.00 H new ATOM 0 HD21 ASN A 573 -15.817 9.645 5.607 1.00 0.00 H new ATOM 0 HD22 ASN A 573 -16.272 8.013 5.105 1.00 0.00 H new ATOM 1023 N VAL A 574 -20.036 7.658 1.544 1.00 0.00 N ATOM 1024 CA VAL A 574 -20.700 6.842 0.542 1.00 0.00 C ATOM 1025 C VAL A 574 -19.694 6.388 -0.504 1.00 0.00 C ATOM 1026 O VAL A 574 -19.141 7.207 -1.241 1.00 0.00 O ATOM 1027 CB VAL A 574 -21.847 7.611 -0.150 1.00 0.00 C ATOM 1028 CG1 VAL A 574 -22.561 6.726 -1.160 1.00 0.00 C ATOM 1029 CG2 VAL A 574 -22.831 8.151 0.877 1.00 0.00 C ATOM 0 H VAL A 574 -19.651 8.536 1.196 1.00 0.00 H new ATOM 0 HA VAL A 574 -21.127 5.977 1.049 1.00 0.00 H new ATOM 0 HB VAL A 574 -21.412 8.455 -0.685 1.00 0.00 H new ATOM 0 HG11 VAL A 574 -23.364 7.290 -1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 574 -21.852 6.396 -1.920 1.00 0.00 H new ATOM 0 HG13 VAL A 574 -22.979 5.857 -0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 574 -23.630 8.689 0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 574 -23.255 7.323 1.445 1.00 0.00 H new ATOM 0 HG23 VAL A 574 -22.313 8.829 1.556 1.00 0.00 H new ATOM 1039 N VAL A 575 -19.474 5.080 -0.570 1.00 0.00 N ATOM 1040 CA VAL A 575 -18.534 4.487 -1.517 1.00 0.00 C ATOM 1041 C VAL A 575 -19.003 3.083 -1.883 1.00 0.00 C ATOM 1042 O VAL A 575 -18.892 2.155 -1.081 1.00 0.00 O ATOM 1043 CB VAL A 575 -17.091 4.393 -0.949 1.00 0.00 C ATOM 1044 CG1 VAL A 575 -16.152 3.778 -1.970 1.00 0.00 C ATOM 1045 CG2 VAL A 575 -16.558 5.751 -0.524 1.00 0.00 C ATOM 0 H VAL A 575 -19.941 4.400 0.030 1.00 0.00 H new ATOM 0 HA VAL A 575 -18.509 5.137 -2.392 1.00 0.00 H new ATOM 0 HB VAL A 575 -17.138 3.755 -0.067 1.00 0.00 H new ATOM 0 HG11 VAL A 575 -15.147 3.721 -1.552 1.00 0.00 H new ATOM 0 HG12 VAL A 575 -16.497 2.775 -2.224 1.00 0.00 H new ATOM 0 HG13 VAL A 575 -16.137 4.395 -2.869 1.00 0.00 H new ATOM 0 HG21 VAL A 575 -15.547 5.639 -0.133 1.00 0.00 H new ATOM 0 HG22 VAL A 575 -16.543 6.421 -1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 575 -17.202 6.169 0.250 1.00 0.00 H new ATOM 1055 N HIS A 576 -19.543 2.928 -3.080 1.00 0.00 N ATOM 1056 CA HIS A 576 -20.074 1.639 -3.504 1.00 0.00 C ATOM 1057 C HIS A 576 -19.330 1.095 -4.720 1.00 0.00 C ATOM 1058 O HIS A 576 -19.527 -0.059 -5.109 1.00 0.00 O ATOM 1059 CB HIS A 576 -21.573 1.743 -3.795 1.00 0.00 C ATOM 1060 CG HIS A 576 -22.412 1.898 -2.562 1.00 0.00 C ATOM 1061 ND1 HIS A 576 -22.690 3.134 -2.031 1.00 0.00 N ATOM 1062 CD2 HIS A 576 -23.003 0.947 -1.800 1.00 0.00 C ATOM 1063 CE1 HIS A 576 -23.440 2.910 -0.965 1.00 0.00 C ATOM 1064 NE2 HIS A 576 -23.656 1.600 -0.787 1.00 0.00 N ATOM 0 H HIS A 576 -19.626 3.672 -3.773 1.00 0.00 H new ATOM 0 HA HIS A 576 -19.924 0.937 -2.684 1.00 0.00 H new ATOM 0 HB2 HIS A 576 -21.749 2.593 -4.454 1.00 0.00 H new ATOM 0 HB3 HIS A 576 -21.893 0.851 -4.333 1.00 0.00 H new ATOM 0 HD2 HIS A 576 -22.967 -0.121 -1.960 1.00 0.00 H new ATOM 0 HE1 HIS A 576 -23.829 3.684 -0.320 1.00 0.00 H new ATOM 0 HE2 HIS A 576 -24.202 1.170 -0.040 1.00 0.00 H new ATOM 1072 N SER A 577 -18.478 1.920 -5.317 1.00 0.00 N ATOM 1073 CA SER A 577 -17.650 1.477 -6.431 1.00 0.00 C ATOM 1074 C SER A 577 -16.532 0.575 -5.919 1.00 0.00 C ATOM 1075 O SER A 577 -16.237 -0.467 -6.502 1.00 0.00 O ATOM 1076 CB SER A 577 -17.061 2.681 -7.167 1.00 0.00 C ATOM 1077 OG SER A 577 -18.079 3.579 -7.577 1.00 0.00 O ATOM 0 H SER A 577 -18.343 2.895 -5.050 1.00 0.00 H new ATOM 0 HA SER A 577 -18.270 0.914 -7.129 1.00 0.00 H new ATOM 0 HB2 SER A 577 -16.356 3.199 -6.517 1.00 0.00 H new ATOM 0 HB3 SER A 577 -16.501 2.340 -8.038 1.00 0.00 H new ATOM 0 HG SER A 577 -17.675 4.340 -8.043 1.00 0.00 H new ATOM 1083 N VAL A 578 -15.925 0.988 -4.818 1.00 0.00 N ATOM 1084 CA VAL A 578 -14.894 0.184 -4.180 1.00 0.00 C ATOM 1085 C VAL A 578 -15.259 -0.176 -2.746 1.00 0.00 C ATOM 1086 O VAL A 578 -15.861 0.615 -2.022 1.00 0.00 O ATOM 1087 CB VAL A 578 -13.510 0.872 -4.223 1.00 0.00 C ATOM 1088 CG1 VAL A 578 -12.956 0.852 -5.638 1.00 0.00 C ATOM 1089 CG2 VAL A 578 -13.587 2.303 -3.714 1.00 0.00 C ATOM 0 H VAL A 578 -16.127 1.871 -4.349 1.00 0.00 H new ATOM 0 HA VAL A 578 -14.829 -0.739 -4.756 1.00 0.00 H new ATOM 0 HB VAL A 578 -12.840 0.315 -3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 578 -11.981 1.340 -5.654 1.00 0.00 H new ATOM 0 HG12 VAL A 578 -12.851 -0.180 -5.973 1.00 0.00 H new ATOM 0 HG13 VAL A 578 -13.638 1.382 -6.303 1.00 0.00 H new ATOM 0 HG21 VAL A 578 -12.598 2.758 -3.757 1.00 0.00 H new ATOM 0 HG22 VAL A 578 -14.277 2.874 -4.336 1.00 0.00 H new ATOM 0 HG23 VAL A 578 -13.942 2.304 -2.683 1.00 0.00 H new ATOM 1099 N ARG A 579 -14.923 -1.396 -2.363 1.00 0.00 N ATOM 1100 CA ARG A 579 -15.138 -1.872 -1.008 1.00 0.00 C ATOM 1101 C ARG A 579 -13.783 -2.088 -0.362 1.00 0.00 C ATOM 1102 O ARG A 579 -12.760 -1.937 -1.024 1.00 0.00 O ATOM 1103 CB ARG A 579 -15.939 -3.177 -1.000 1.00 0.00 C ATOM 1104 CG ARG A 579 -17.136 -3.165 -1.937 1.00 0.00 C ATOM 1105 CD ARG A 579 -18.149 -2.105 -1.537 1.00 0.00 C ATOM 1106 NE ARG A 579 -18.809 -2.427 -0.271 1.00 0.00 N ATOM 1107 CZ ARG A 579 -19.287 -1.520 0.582 1.00 0.00 C ATOM 1108 NH1 ARG A 579 -19.131 -0.223 0.344 1.00 0.00 N ATOM 1109 NH2 ARG A 579 -19.920 -1.913 1.679 1.00 0.00 N ATOM 0 H ARG A 579 -14.494 -2.084 -2.982 1.00 0.00 H new ATOM 0 HA ARG A 579 -15.713 -1.132 -0.451 1.00 0.00 H new ATOM 0 HB2 ARG A 579 -15.280 -3.999 -1.278 1.00 0.00 H new ATOM 0 HB3 ARG A 579 -16.285 -3.374 0.015 1.00 0.00 H new ATOM 0 HG2 ARG A 579 -16.799 -2.980 -2.957 1.00 0.00 H new ATOM 0 HG3 ARG A 579 -17.613 -4.145 -1.932 1.00 0.00 H new ATOM 0 HD2 ARG A 579 -17.649 -1.140 -1.450 1.00 0.00 H new ATOM 0 HD3 ARG A 579 -18.899 -2.006 -2.322 1.00 0.00 H new ATOM 0 HE ARG A 579 -18.910 -3.412 -0.024 1.00 0.00 H new ATOM 0 HH11 ARG A 579 -18.643 0.086 -0.496 1.00 0.00 H new ATOM 0 HH12 ARG A 579 -19.500 0.464 1.002 1.00 0.00 H new ATOM 0 HH21 ARG A 579 -20.041 -2.908 1.869 1.00 0.00 H new ATOM 0 HH22 ARG A 579 -20.286 -1.221 2.332 1.00 0.00 H new ATOM 1123 N ARG A 580 -13.761 -2.436 0.916 1.00 0.00 N ATOM 1124 CA ARG A 580 -12.505 -2.601 1.633 1.00 0.00 C ATOM 1125 C ARG A 580 -11.609 -3.663 1.002 1.00 0.00 C ATOM 1126 O ARG A 580 -10.390 -3.574 1.107 1.00 0.00 O ATOM 1127 CB ARG A 580 -12.720 -2.903 3.112 1.00 0.00 C ATOM 1128 CG ARG A 580 -13.510 -4.162 3.399 1.00 0.00 C ATOM 1129 CD ARG A 580 -15.001 -3.882 3.518 1.00 0.00 C ATOM 1130 NE ARG A 580 -15.313 -2.709 4.337 1.00 0.00 N ATOM 1131 CZ ARG A 580 -16.534 -2.160 4.402 1.00 0.00 C ATOM 1132 NH1 ARG A 580 -17.541 -2.692 3.721 1.00 0.00 N ATOM 1133 NH2 ARG A 580 -16.753 -1.085 5.152 1.00 0.00 N ATOM 0 H ARG A 580 -14.595 -2.609 1.476 1.00 0.00 H new ATOM 0 HA ARG A 580 -11.993 -1.642 1.554 1.00 0.00 H new ATOM 0 HB2 ARG A 580 -11.747 -2.984 3.596 1.00 0.00 H new ATOM 0 HB3 ARG A 580 -13.234 -2.057 3.569 1.00 0.00 H new ATOM 0 HG2 ARG A 580 -13.339 -4.887 2.603 1.00 0.00 H new ATOM 0 HG3 ARG A 580 -13.150 -4.613 4.324 1.00 0.00 H new ATOM 0 HD2 ARG A 580 -15.416 -3.739 2.520 1.00 0.00 H new ATOM 0 HD3 ARG A 580 -15.493 -4.755 3.946 1.00 0.00 H new ATOM 0 HE ARG A 580 -14.563 -2.288 4.886 1.00 0.00 H new ATOM 0 HH11 ARG A 580 -17.387 -3.521 3.146 1.00 0.00 H new ATOM 0 HH12 ARG A 580 -18.469 -2.272 3.772 1.00 0.00 H new ATOM 0 HH21 ARG A 580 -15.988 -0.670 5.685 1.00 0.00 H new ATOM 0 HH22 ARG A 580 -17.686 -0.674 5.195 1.00 0.00 H new ATOM 1147 N GLU A 581 -12.201 -4.673 0.364 1.00 0.00 N ATOM 1148 CA GLU A 581 -11.450 -5.724 -0.324 1.00 0.00 C ATOM 1149 C GLU A 581 -10.538 -5.177 -1.425 1.00 0.00 C ATOM 1150 O GLU A 581 -9.515 -5.780 -1.748 1.00 0.00 O ATOM 1151 CB GLU A 581 -12.430 -6.735 -0.922 1.00 0.00 C ATOM 1152 CG GLU A 581 -13.378 -6.130 -1.950 1.00 0.00 C ATOM 1153 CD GLU A 581 -14.597 -6.991 -2.198 1.00 0.00 C ATOM 1154 OE1 GLU A 581 -15.412 -7.150 -1.266 1.00 0.00 O ATOM 1155 OE2 GLU A 581 -14.754 -7.508 -3.318 1.00 0.00 O ATOM 0 H GLU A 581 -13.213 -4.786 0.309 1.00 0.00 H new ATOM 0 HA GLU A 581 -10.806 -6.202 0.414 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -11.866 -7.542 -1.390 1.00 0.00 H new ATOM 0 HB3 GLU A 581 -13.016 -7.180 -0.118 1.00 0.00 H new ATOM 0 HG2 GLU A 581 -13.697 -5.145 -1.609 1.00 0.00 H new ATOM 0 HG3 GLU A 581 -12.844 -5.984 -2.889 1.00 0.00 H new ATOM 1162 N HIS A 582 -10.916 -4.040 -1.995 1.00 0.00 N ATOM 1163 CA HIS A 582 -10.141 -3.409 -3.059 1.00 0.00 C ATOM 1164 C HIS A 582 -8.868 -2.783 -2.498 1.00 0.00 C ATOM 1165 O HIS A 582 -7.970 -2.383 -3.239 1.00 0.00 O ATOM 1166 CB HIS A 582 -10.986 -2.361 -3.790 1.00 0.00 C ATOM 1167 CG HIS A 582 -12.091 -2.950 -4.618 1.00 0.00 C ATOM 1168 ND1 HIS A 582 -13.410 -2.832 -4.250 1.00 0.00 N ATOM 1169 CD2 HIS A 582 -12.020 -3.639 -5.781 1.00 0.00 C ATOM 1170 CE1 HIS A 582 -14.105 -3.448 -5.191 1.00 0.00 C ATOM 1171 NE2 HIS A 582 -13.305 -3.955 -6.140 1.00 0.00 N ATOM 0 H HIS A 582 -11.761 -3.531 -1.736 1.00 0.00 H new ATOM 0 HA HIS A 582 -9.853 -4.177 -3.777 1.00 0.00 H new ATOM 0 HB2 HIS A 582 -11.417 -1.679 -3.057 1.00 0.00 H new ATOM 0 HB3 HIS A 582 -10.337 -1.768 -4.435 1.00 0.00 H new ATOM 0 HD2 HIS A 582 -11.121 -3.892 -6.324 1.00 0.00 H new ATOM 0 HE1 HIS A 582 -15.182 -3.532 -5.195 1.00 0.00 H new ATOM 0 HE2 HIS A 582 -13.596 -4.475 -6.968 1.00 0.00 H new ATOM 1179 N PHE A 583 -8.804 -2.706 -1.179 1.00 0.00 N ATOM 1180 CA PHE A 583 -7.671 -2.108 -0.497 1.00 0.00 C ATOM 1181 C PHE A 583 -6.863 -3.194 0.193 1.00 0.00 C ATOM 1182 O PHE A 583 -7.404 -3.995 0.956 1.00 0.00 O ATOM 1183 CB PHE A 583 -8.134 -1.064 0.524 1.00 0.00 C ATOM 1184 CG PHE A 583 -9.031 -0.011 -0.061 1.00 0.00 C ATOM 1185 CD1 PHE A 583 -8.568 0.857 -1.029 1.00 0.00 C ATOM 1186 CD2 PHE A 583 -10.341 0.095 0.353 1.00 0.00 C ATOM 1187 CE1 PHE A 583 -9.399 1.817 -1.569 1.00 0.00 C ATOM 1188 CE2 PHE A 583 -11.181 1.050 -0.182 1.00 0.00 C ATOM 1189 CZ PHE A 583 -10.708 1.913 -1.146 1.00 0.00 C ATOM 0 H PHE A 583 -9.532 -3.054 -0.555 1.00 0.00 H new ATOM 0 HA PHE A 583 -7.047 -1.603 -1.234 1.00 0.00 H new ATOM 0 HB2 PHE A 583 -8.660 -1.568 1.335 1.00 0.00 H new ATOM 0 HB3 PHE A 583 -7.259 -0.583 0.962 1.00 0.00 H new ATOM 0 HD1 PHE A 583 -7.545 0.784 -1.367 1.00 0.00 H new ATOM 0 HD2 PHE A 583 -10.716 -0.580 1.108 1.00 0.00 H new ATOM 0 HE1 PHE A 583 -9.024 2.493 -2.323 1.00 0.00 H new ATOM 0 HE2 PHE A 583 -12.205 1.121 0.154 1.00 0.00 H new ATOM 0 HZ PHE A 583 -11.360 2.662 -1.569 1.00 0.00 H new ATOM 1199 N SER A 584 -5.572 -3.228 -0.071 1.00 0.00 N ATOM 1200 CA SER A 584 -4.715 -4.252 0.488 1.00 0.00 C ATOM 1201 C SER A 584 -3.464 -3.605 1.056 1.00 0.00 C ATOM 1202 O SER A 584 -2.853 -2.750 0.414 1.00 0.00 O ATOM 1203 CB SER A 584 -4.353 -5.283 -0.585 1.00 0.00 C ATOM 1204 OG SER A 584 -3.782 -4.658 -1.721 1.00 0.00 O ATOM 0 H SER A 584 -5.093 -2.556 -0.671 1.00 0.00 H new ATOM 0 HA SER A 584 -5.242 -4.770 1.290 1.00 0.00 H new ATOM 0 HB2 SER A 584 -3.651 -6.009 -0.174 1.00 0.00 H new ATOM 0 HB3 SER A 584 -5.246 -5.834 -0.880 1.00 0.00 H new ATOM 0 HG SER A 584 -2.876 -5.004 -1.864 1.00 0.00 H new ATOM 1210 N PHE A 585 -3.087 -3.993 2.260 1.00 0.00 N ATOM 1211 CA PHE A 585 -1.929 -3.398 2.901 1.00 0.00 C ATOM 1212 C PHE A 585 -0.720 -4.316 2.830 1.00 0.00 C ATOM 1213 O PHE A 585 0.382 -3.937 3.227 1.00 0.00 O ATOM 1214 CB PHE A 585 -2.247 -3.017 4.342 1.00 0.00 C ATOM 1215 CG PHE A 585 -3.115 -1.798 4.443 1.00 0.00 C ATOM 1216 CD1 PHE A 585 -2.594 -0.557 4.138 1.00 0.00 C ATOM 1217 CD2 PHE A 585 -4.441 -1.885 4.835 1.00 0.00 C ATOM 1218 CE1 PHE A 585 -3.366 0.577 4.219 1.00 0.00 C ATOM 1219 CE2 PHE A 585 -5.224 -0.746 4.918 1.00 0.00 C ATOM 1220 CZ PHE A 585 -4.680 0.487 4.609 1.00 0.00 C ATOM 0 H PHE A 585 -3.560 -4.710 2.809 1.00 0.00 H new ATOM 0 HA PHE A 585 -1.678 -2.488 2.357 1.00 0.00 H new ATOM 0 HB2 PHE A 585 -2.745 -3.853 4.833 1.00 0.00 H new ATOM 0 HB3 PHE A 585 -1.316 -2.840 4.880 1.00 0.00 H new ATOM 0 HD1 PHE A 585 -1.562 -0.476 3.830 1.00 0.00 H new ATOM 0 HD2 PHE A 585 -4.867 -2.847 5.077 1.00 0.00 H new ATOM 0 HE1 PHE A 585 -2.940 1.539 3.976 1.00 0.00 H new ATOM 0 HE2 PHE A 585 -6.257 -0.821 5.223 1.00 0.00 H new ATOM 0 HZ PHE A 585 -5.287 1.378 4.674 1.00 0.00 H new ATOM 1230 N SER A 586 -0.932 -5.524 2.329 1.00 0.00 N ATOM 1231 CA SER A 586 0.167 -6.433 2.044 1.00 0.00 C ATOM 1232 C SER A 586 1.101 -5.838 0.990 1.00 0.00 C ATOM 1233 O SER A 586 0.695 -5.609 -0.153 1.00 0.00 O ATOM 1234 CB SER A 586 -0.373 -7.779 1.556 1.00 0.00 C ATOM 1235 OG SER A 586 -1.029 -8.478 2.601 1.00 0.00 O ATOM 0 H SER A 586 -1.856 -5.897 2.111 1.00 0.00 H new ATOM 0 HA SER A 586 0.731 -6.585 2.964 1.00 0.00 H new ATOM 0 HB2 SER A 586 -1.067 -7.618 0.731 1.00 0.00 H new ATOM 0 HB3 SER A 586 0.447 -8.384 1.169 1.00 0.00 H new ATOM 0 HG SER A 586 -1.501 -9.252 2.230 1.00 0.00 H new ATOM 1241 N PRO A 587 2.368 -5.581 1.357 1.00 0.00 N ATOM 1242 CA PRO A 587 3.362 -5.021 0.436 1.00 0.00 C ATOM 1243 C PRO A 587 3.883 -6.062 -0.552 1.00 0.00 C ATOM 1244 O PRO A 587 4.880 -5.845 -1.234 1.00 0.00 O ATOM 1245 CB PRO A 587 4.473 -4.558 1.373 1.00 0.00 C ATOM 1246 CG PRO A 587 4.404 -5.509 2.515 1.00 0.00 C ATOM 1247 CD PRO A 587 2.938 -5.801 2.705 1.00 0.00 C ATOM 0 HA PRO A 587 2.952 -4.226 -0.187 1.00 0.00 H new ATOM 0 HB2 PRO A 587 5.447 -4.592 0.884 1.00 0.00 H new ATOM 0 HB3 PRO A 587 4.316 -3.530 1.700 1.00 0.00 H new ATOM 0 HG2 PRO A 587 4.962 -6.421 2.301 1.00 0.00 H new ATOM 0 HG3 PRO A 587 4.838 -5.074 3.415 1.00 0.00 H new ATOM 0 HD2 PRO A 587 2.773 -6.822 3.050 1.00 0.00 H new ATOM 0 HD3 PRO A 587 2.489 -5.138 3.445 1.00 0.00 H new ATOM 1255 N ARG A 588 3.190 -7.193 -0.627 1.00 0.00 N ATOM 1256 CA ARG A 588 3.494 -8.241 -1.590 1.00 0.00 C ATOM 1257 C ARG A 588 2.627 -8.051 -2.827 1.00 0.00 C ATOM 1258 O ARG A 588 2.718 -8.804 -3.797 1.00 0.00 O ATOM 1259 CB ARG A 588 3.226 -9.616 -0.977 1.00 0.00 C ATOM 1260 CG ARG A 588 4.024 -9.893 0.285 1.00 0.00 C ATOM 1261 CD ARG A 588 3.537 -11.150 0.987 1.00 0.00 C ATOM 1262 NE ARG A 588 2.134 -11.038 1.391 1.00 0.00 N ATOM 1263 CZ ARG A 588 1.664 -11.407 2.581 1.00 0.00 C ATOM 1264 NH1 ARG A 588 2.471 -11.957 3.480 1.00 0.00 N ATOM 1265 NH2 ARG A 588 0.379 -11.235 2.869 1.00 0.00 N ATOM 0 H ARG A 588 2.400 -7.408 -0.019 1.00 0.00 H new ATOM 0 HA ARG A 588 4.547 -8.181 -1.866 1.00 0.00 H new ATOM 0 HB2 ARG A 588 2.163 -9.701 -0.749 1.00 0.00 H new ATOM 0 HB3 ARG A 588 3.456 -10.384 -1.716 1.00 0.00 H new ATOM 0 HG2 ARG A 588 5.079 -10.001 0.033 1.00 0.00 H new ATOM 0 HG3 ARG A 588 3.943 -9.042 0.962 1.00 0.00 H new ATOM 0 HD2 ARG A 588 3.657 -12.007 0.324 1.00 0.00 H new ATOM 0 HD3 ARG A 588 4.154 -11.338 1.865 1.00 0.00 H new ATOM 0 HE ARG A 588 1.473 -10.652 0.717 1.00 0.00 H new ATOM 0 HH11 ARG A 588 3.457 -12.099 3.261 1.00 0.00 H new ATOM 0 HH12 ARG A 588 2.105 -12.238 4.390 1.00 0.00 H new ATOM 0 HH21 ARG A 588 -0.247 -10.820 2.179 1.00 0.00 H new ATOM 0 HH22 ARG A 588 0.018 -11.517 3.780 1.00 0.00 H new ATOM 1279 N MET A 589 1.775 -7.037 -2.762 1.00 0.00 N ATOM 1280 CA MET A 589 0.890 -6.698 -3.863 1.00 0.00 C ATOM 1281 C MET A 589 1.523 -5.615 -4.727 1.00 0.00 C ATOM 1282 O MET A 589 1.610 -4.460 -4.310 1.00 0.00 O ATOM 1283 CB MET A 589 -0.463 -6.219 -3.327 1.00 0.00 C ATOM 1284 CG MET A 589 -1.483 -5.926 -4.409 1.00 0.00 C ATOM 1285 SD MET A 589 -1.923 -7.388 -5.370 1.00 0.00 S ATOM 1286 CE MET A 589 -2.666 -8.416 -4.103 1.00 0.00 C ATOM 0 H MET A 589 1.679 -6.430 -1.948 1.00 0.00 H new ATOM 0 HA MET A 589 0.730 -7.588 -4.472 1.00 0.00 H new ATOM 0 HB2 MET A 589 -0.867 -6.978 -2.657 1.00 0.00 H new ATOM 0 HB3 MET A 589 -0.309 -5.318 -2.733 1.00 0.00 H new ATOM 0 HG2 MET A 589 -2.382 -5.513 -3.952 1.00 0.00 H new ATOM 0 HG3 MET A 589 -1.087 -5.163 -5.078 1.00 0.00 H new ATOM 0 HE1 MET A 589 -3.222 -9.228 -4.573 1.00 0.00 H new ATOM 0 HE2 MET A 589 -1.884 -8.832 -3.467 1.00 0.00 H new ATOM 0 HE3 MET A 589 -3.344 -7.814 -3.498 1.00 0.00 H new ATOM 1296 N PRO A 590 1.971 -5.977 -5.938 1.00 0.00 N ATOM 1297 CA PRO A 590 2.668 -5.058 -6.846 1.00 0.00 C ATOM 1298 C PRO A 590 1.717 -4.110 -7.574 1.00 0.00 C ATOM 1299 O PRO A 590 1.728 -4.009 -8.802 1.00 0.00 O ATOM 1300 CB PRO A 590 3.340 -6.008 -7.832 1.00 0.00 C ATOM 1301 CG PRO A 590 2.432 -7.185 -7.896 1.00 0.00 C ATOM 1302 CD PRO A 590 1.831 -7.325 -6.525 1.00 0.00 C ATOM 0 HA PRO A 590 3.357 -4.399 -6.317 1.00 0.00 H new ATOM 0 HB2 PRO A 590 3.458 -5.545 -8.811 1.00 0.00 H new ATOM 0 HB3 PRO A 590 4.336 -6.293 -7.492 1.00 0.00 H new ATOM 0 HG2 PRO A 590 1.657 -7.038 -8.648 1.00 0.00 H new ATOM 0 HG3 PRO A 590 2.980 -8.085 -8.175 1.00 0.00 H new ATOM 0 HD2 PRO A 590 0.786 -7.632 -6.576 1.00 0.00 H new ATOM 0 HD3 PRO A 590 2.356 -8.075 -5.933 1.00 0.00 H new ATOM 1310 N VAL A 591 0.931 -3.385 -6.799 1.00 0.00 N ATOM 1311 CA VAL A 591 -0.057 -2.463 -7.338 1.00 0.00 C ATOM 1312 C VAL A 591 0.018 -1.159 -6.567 1.00 0.00 C ATOM 1313 O VAL A 591 0.231 -1.171 -5.354 1.00 0.00 O ATOM 1314 CB VAL A 591 -1.489 -3.032 -7.233 1.00 0.00 C ATOM 1315 CG1 VAL A 591 -2.488 -2.114 -7.918 1.00 0.00 C ATOM 1316 CG2 VAL A 591 -1.559 -4.426 -7.825 1.00 0.00 C ATOM 0 H VAL A 591 0.958 -3.417 -5.780 1.00 0.00 H new ATOM 0 HA VAL A 591 0.164 -2.304 -8.393 1.00 0.00 H new ATOM 0 HB VAL A 591 -1.749 -3.094 -6.176 1.00 0.00 H new ATOM 0 HG11 VAL A 591 -3.489 -2.536 -7.831 1.00 0.00 H new ATOM 0 HG12 VAL A 591 -2.465 -1.133 -7.444 1.00 0.00 H new ATOM 0 HG13 VAL A 591 -2.227 -2.014 -8.972 1.00 0.00 H new ATOM 0 HG21 VAL A 591 -2.577 -4.807 -7.740 1.00 0.00 H new ATOM 0 HG22 VAL A 591 -1.272 -4.390 -8.876 1.00 0.00 H new ATOM 0 HG23 VAL A 591 -0.879 -5.085 -7.285 1.00 0.00 H new ATOM 1326 N GLY A 592 -0.130 -0.039 -7.252 1.00 0.00 N ATOM 1327 CA GLY A 592 -0.010 1.232 -6.597 1.00 0.00 C ATOM 1328 C GLY A 592 1.334 1.838 -6.888 1.00 0.00 C ATOM 1329 O GLY A 592 1.723 1.970 -8.048 1.00 0.00 O ATOM 0 H GLY A 592 -0.331 0.007 -8.251 1.00 0.00 H new ATOM 0 HA2 GLY A 592 -0.801 1.901 -6.937 1.00 0.00 H new ATOM 0 HA3 GLY A 592 -0.137 1.109 -5.521 1.00 0.00 H new ATOM 1333 N ASP A 593 2.057 2.168 -5.845 1.00 0.00 N ATOM 1334 CA ASP A 593 3.384 2.725 -5.983 1.00 0.00 C ATOM 1335 C ASP A 593 4.301 2.118 -4.937 1.00 0.00 C ATOM 1336 O ASP A 593 3.897 1.894 -3.807 1.00 0.00 O ATOM 1337 CB ASP A 593 3.354 4.251 -5.850 1.00 0.00 C ATOM 1338 CG ASP A 593 2.693 4.934 -7.035 1.00 0.00 C ATOM 1339 OD1 ASP A 593 1.453 5.095 -7.026 1.00 0.00 O ATOM 1340 OD2 ASP A 593 3.412 5.323 -7.981 1.00 0.00 O ATOM 0 H ASP A 593 1.745 2.059 -4.880 1.00 0.00 H new ATOM 0 HA ASP A 593 3.764 2.485 -6.976 1.00 0.00 H new ATOM 0 HB2 ASP A 593 2.822 4.521 -4.938 1.00 0.00 H new ATOM 0 HB3 ASP A 593 4.374 4.622 -5.745 1.00 0.00 H new ATOM 1345 N PHE A 594 5.519 1.831 -5.336 1.00 0.00 N ATOM 1346 CA PHE A 594 6.509 1.251 -4.432 1.00 0.00 C ATOM 1347 C PHE A 594 7.722 2.152 -4.302 1.00 0.00 C ATOM 1348 O PHE A 594 8.268 2.618 -5.301 1.00 0.00 O ATOM 1349 CB PHE A 594 6.945 -0.132 -4.923 1.00 0.00 C ATOM 1350 CG PHE A 594 6.065 -1.257 -4.455 1.00 0.00 C ATOM 1351 CD1 PHE A 594 4.778 -1.411 -4.944 1.00 0.00 C ATOM 1352 CD2 PHE A 594 6.538 -2.169 -3.526 1.00 0.00 C ATOM 1353 CE1 PHE A 594 3.981 -2.453 -4.512 1.00 0.00 C ATOM 1354 CE2 PHE A 594 5.746 -3.212 -3.091 1.00 0.00 C ATOM 1355 CZ PHE A 594 4.465 -3.354 -3.584 1.00 0.00 C ATOM 0 H PHE A 594 5.858 1.988 -6.285 1.00 0.00 H new ATOM 0 HA PHE A 594 6.042 1.150 -3.452 1.00 0.00 H new ATOM 0 HB2 PHE A 594 6.963 -0.129 -6.013 1.00 0.00 H new ATOM 0 HB3 PHE A 594 7.965 -0.320 -4.587 1.00 0.00 H new ATOM 0 HD1 PHE A 594 4.394 -0.710 -5.670 1.00 0.00 H new ATOM 0 HD2 PHE A 594 7.540 -2.062 -3.137 1.00 0.00 H new ATOM 0 HE1 PHE A 594 2.979 -2.563 -4.900 1.00 0.00 H new ATOM 0 HE2 PHE A 594 6.128 -3.916 -2.366 1.00 0.00 H new ATOM 0 HZ PHE A 594 3.842 -4.168 -3.245 1.00 0.00 H new ATOM 1365 N PHE A 595 8.135 2.406 -3.068 1.00 0.00 N ATOM 1366 CA PHE A 595 9.305 3.227 -2.811 1.00 0.00 C ATOM 1367 C PHE A 595 10.236 2.528 -1.830 1.00 0.00 C ATOM 1368 O PHE A 595 9.801 1.721 -1.010 1.00 0.00 O ATOM 1369 CB PHE A 595 8.887 4.584 -2.233 1.00 0.00 C ATOM 1370 CG PHE A 595 7.745 5.226 -2.968 1.00 0.00 C ATOM 1371 CD1 PHE A 595 7.975 6.065 -4.046 1.00 0.00 C ATOM 1372 CD2 PHE A 595 6.438 4.978 -2.583 1.00 0.00 C ATOM 1373 CE1 PHE A 595 6.921 6.642 -4.726 1.00 0.00 C ATOM 1374 CE2 PHE A 595 5.384 5.550 -3.260 1.00 0.00 C ATOM 1375 CZ PHE A 595 5.623 6.383 -4.330 1.00 0.00 C ATOM 0 H PHE A 595 7.674 2.053 -2.229 1.00 0.00 H new ATOM 0 HA PHE A 595 9.827 3.383 -3.755 1.00 0.00 H new ATOM 0 HB2 PHE A 595 8.607 4.453 -1.188 1.00 0.00 H new ATOM 0 HB3 PHE A 595 9.744 5.257 -2.252 1.00 0.00 H new ATOM 0 HD1 PHE A 595 8.989 6.270 -4.358 1.00 0.00 H new ATOM 0 HD2 PHE A 595 6.243 4.329 -1.742 1.00 0.00 H new ATOM 0 HE1 PHE A 595 7.111 7.294 -5.566 1.00 0.00 H new ATOM 0 HE2 PHE A 595 4.369 5.345 -2.952 1.00 0.00 H new ATOM 0 HZ PHE A 595 4.796 6.834 -4.859 1.00 0.00 H new ATOM 1385 N GLU A 596 11.506 2.863 -1.916 1.00 0.00 N ATOM 1386 CA GLU A 596 12.511 2.309 -1.029 1.00 0.00 C ATOM 1387 C GLU A 596 13.362 3.439 -0.470 1.00 0.00 C ATOM 1388 O GLU A 596 13.881 4.258 -1.232 1.00 0.00 O ATOM 1389 CB GLU A 596 13.391 1.320 -1.792 1.00 0.00 C ATOM 1390 CG GLU A 596 14.554 0.790 -0.972 1.00 0.00 C ATOM 1391 CD GLU A 596 15.484 -0.093 -1.770 1.00 0.00 C ATOM 1392 OE1 GLU A 596 16.278 0.437 -2.576 1.00 0.00 O ATOM 1393 OE2 GLU A 596 15.436 -1.324 -1.593 1.00 0.00 O ATOM 0 H GLU A 596 11.872 3.525 -2.600 1.00 0.00 H new ATOM 0 HA GLU A 596 12.023 1.782 -0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 596 12.779 0.482 -2.124 1.00 0.00 H new ATOM 0 HB3 GLU A 596 13.779 1.806 -2.687 1.00 0.00 H new ATOM 0 HG2 GLU A 596 15.118 1.630 -0.566 1.00 0.00 H new ATOM 0 HG3 GLU A 596 14.166 0.227 -0.123 1.00 0.00 H new ATOM 1400 N GLU A 597 13.490 3.516 0.849 1.00 0.00 N ATOM 1401 CA GLU A 597 14.258 4.568 1.485 1.00 0.00 C ATOM 1402 C GLU A 597 15.742 4.283 1.307 1.00 0.00 C ATOM 1403 O GLU A 597 16.241 3.226 1.704 1.00 0.00 O ATOM 1404 CB GLU A 597 13.900 4.655 2.972 1.00 0.00 C ATOM 1405 CG GLU A 597 14.755 5.633 3.761 1.00 0.00 C ATOM 1406 CD GLU A 597 14.305 5.772 5.202 1.00 0.00 C ATOM 1407 OE1 GLU A 597 14.734 4.957 6.044 1.00 0.00 O ATOM 1408 OE2 GLU A 597 13.521 6.699 5.500 1.00 0.00 O ATOM 0 H GLU A 597 13.066 2.854 1.500 1.00 0.00 H new ATOM 0 HA GLU A 597 14.021 5.525 1.021 1.00 0.00 H new ATOM 0 HB2 GLU A 597 12.854 4.946 3.066 1.00 0.00 H new ATOM 0 HB3 GLU A 597 13.997 3.664 3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 597 15.793 5.302 3.739 1.00 0.00 H new ATOM 0 HG3 GLU A 597 14.722 6.610 3.278 1.00 0.00 H new ATOM 1415 N ARG A 598 16.433 5.222 0.691 1.00 0.00 N ATOM 1416 CA ARG A 598 17.814 5.032 0.294 1.00 0.00 C ATOM 1417 C ARG A 598 18.645 6.257 0.653 1.00 0.00 C ATOM 1418 O ARG A 598 18.107 7.360 0.786 1.00 0.00 O ATOM 1419 CB ARG A 598 17.847 4.769 -1.218 1.00 0.00 C ATOM 1420 CG ARG A 598 19.231 4.691 -1.839 1.00 0.00 C ATOM 1421 CD ARG A 598 19.132 4.435 -3.331 1.00 0.00 C ATOM 1422 NE ARG A 598 20.439 4.328 -3.970 1.00 0.00 N ATOM 1423 CZ ARG A 598 20.620 3.909 -5.221 1.00 0.00 C ATOM 1424 NH1 ARG A 598 19.585 3.497 -5.948 1.00 0.00 N ATOM 1425 NH2 ARG A 598 21.837 3.883 -5.739 1.00 0.00 N ATOM 0 H ARG A 598 16.053 6.138 0.452 1.00 0.00 H new ATOM 0 HA ARG A 598 18.243 4.181 0.823 1.00 0.00 H new ATOM 0 HB2 ARG A 598 17.325 3.833 -1.418 1.00 0.00 H new ATOM 0 HB3 ARG A 598 17.287 5.559 -1.719 1.00 0.00 H new ATOM 0 HG2 ARG A 598 19.769 5.621 -1.659 1.00 0.00 H new ATOM 0 HG3 ARG A 598 19.804 3.894 -1.365 1.00 0.00 H new ATOM 0 HD2 ARG A 598 18.572 3.516 -3.502 1.00 0.00 H new ATOM 0 HD3 ARG A 598 18.569 5.243 -3.798 1.00 0.00 H new ATOM 0 HE ARG A 598 21.262 4.589 -3.427 1.00 0.00 H new ATOM 0 HH11 ARG A 598 18.647 3.501 -5.548 1.00 0.00 H new ATOM 0 HH12 ARG A 598 19.730 3.177 -6.906 1.00 0.00 H new ATOM 0 HH21 ARG A 598 22.636 4.184 -5.180 1.00 0.00 H new ATOM 0 HH22 ARG A 598 21.977 3.562 -6.697 1.00 0.00 H new ATOM 1439 N ASP A 599 19.951 6.069 0.793 1.00 0.00 N ATOM 1440 CA ASP A 599 20.858 7.163 1.094 1.00 0.00 C ATOM 1441 C ASP A 599 21.564 7.660 -0.151 1.00 0.00 C ATOM 1442 O ASP A 599 22.042 6.881 -0.975 1.00 0.00 O ATOM 1443 CB ASP A 599 21.886 6.735 2.146 1.00 0.00 C ATOM 1444 CG ASP A 599 22.757 5.578 1.695 1.00 0.00 C ATOM 1445 OD1 ASP A 599 22.252 4.435 1.625 1.00 0.00 O ATOM 1446 OD2 ASP A 599 23.957 5.799 1.428 1.00 0.00 O ATOM 0 H ASP A 599 20.406 5.161 0.702 1.00 0.00 H new ATOM 0 HA ASP A 599 20.261 7.983 1.492 1.00 0.00 H new ATOM 0 HB2 ASP A 599 22.522 7.586 2.391 1.00 0.00 H new ATOM 0 HB3 ASP A 599 21.364 6.454 3.061 1.00 0.00 H new ATOM 1451 N THR A 600 21.596 8.968 -0.284 1.00 0.00 N ATOM 1452 CA THR A 600 22.242 9.627 -1.402 1.00 0.00 C ATOM 1453 C THR A 600 23.166 10.713 -0.871 1.00 0.00 C ATOM 1454 O THR A 600 23.078 11.080 0.301 1.00 0.00 O ATOM 1455 CB THR A 600 21.190 10.254 -2.339 1.00 0.00 C ATOM 1456 OG1 THR A 600 20.648 11.425 -1.733 1.00 0.00 O ATOM 1457 CG2 THR A 600 20.062 9.278 -2.607 1.00 0.00 C ATOM 0 H THR A 600 21.172 9.611 0.385 1.00 0.00 H new ATOM 0 HA THR A 600 22.816 8.893 -1.967 1.00 0.00 H new ATOM 0 HB THR A 600 21.677 10.506 -3.281 1.00 0.00 H new ATOM 0 HG1 THR A 600 20.173 11.178 -0.912 1.00 0.00 H new ATOM 0 HG21 THR A 600 19.331 9.740 -3.270 1.00 0.00 H new ATOM 0 HG22 THR A 600 20.462 8.380 -3.078 1.00 0.00 H new ATOM 0 HG23 THR A 600 19.581 9.011 -1.666 1.00 0.00 H new ATOM 1465 N PRO A 601 24.074 11.223 -1.707 1.00 0.00 N ATOM 1466 CA PRO A 601 24.978 12.315 -1.327 1.00 0.00 C ATOM 1467 C PRO A 601 24.235 13.604 -0.962 1.00 0.00 C ATOM 1468 O PRO A 601 24.829 14.540 -0.419 1.00 0.00 O ATOM 1469 CB PRO A 601 25.844 12.515 -2.576 1.00 0.00 C ATOM 1470 CG PRO A 601 25.065 11.903 -3.688 1.00 0.00 C ATOM 1471 CD PRO A 601 24.325 10.757 -3.077 1.00 0.00 C ATOM 0 HA PRO A 601 25.552 12.071 -0.433 1.00 0.00 H new ATOM 0 HB2 PRO A 601 26.031 13.573 -2.761 1.00 0.00 H new ATOM 0 HB3 PRO A 601 26.816 12.034 -2.464 1.00 0.00 H new ATOM 0 HG2 PRO A 601 24.376 12.625 -4.128 1.00 0.00 H new ATOM 0 HG3 PRO A 601 25.724 11.563 -4.487 1.00 0.00 H new ATOM 0 HD2 PRO A 601 23.397 10.546 -3.608 1.00 0.00 H new ATOM 0 HD3 PRO A 601 24.916 9.841 -3.091 1.00 0.00 H new ATOM 1479 N GLU A 602 22.939 13.652 -1.257 1.00 0.00 N ATOM 1480 CA GLU A 602 22.113 14.786 -0.867 1.00 0.00 C ATOM 1481 C GLU A 602 21.323 14.442 0.397 1.00 0.00 C ATOM 1482 O GLU A 602 20.816 15.323 1.093 1.00 0.00 O ATOM 1483 CB GLU A 602 21.166 15.185 -2.007 1.00 0.00 C ATOM 1484 CG GLU A 602 19.980 14.254 -2.183 1.00 0.00 C ATOM 1485 CD GLU A 602 19.106 14.627 -3.359 1.00 0.00 C ATOM 1486 OE1 GLU A 602 18.191 15.456 -3.187 1.00 0.00 O ATOM 1487 OE2 GLU A 602 19.312 14.070 -4.457 1.00 0.00 O ATOM 0 H GLU A 602 22.441 12.920 -1.763 1.00 0.00 H new ATOM 0 HA GLU A 602 22.761 15.637 -0.656 1.00 0.00 H new ATOM 0 HB2 GLU A 602 20.798 16.194 -1.822 1.00 0.00 H new ATOM 0 HB3 GLU A 602 21.730 15.217 -2.939 1.00 0.00 H new ATOM 0 HG2 GLU A 602 20.342 13.234 -2.315 1.00 0.00 H new ATOM 0 HG3 GLU A 602 19.379 14.264 -1.273 1.00 0.00 H new ATOM 1494 N GLY A 603 21.230 13.148 0.684 1.00 0.00 N ATOM 1495 CA GLY A 603 20.525 12.713 1.865 1.00 0.00 C ATOM 1496 C GLY A 603 19.635 11.518 1.631 1.00 0.00 C ATOM 1497 O GLY A 603 19.686 10.877 0.583 1.00 0.00 O ATOM 0 H GLY A 603 21.630 12.399 0.119 1.00 0.00 H new ATOM 0 HA2 GLY A 603 21.250 12.469 2.642 1.00 0.00 H new ATOM 0 HA3 GLY A 603 19.920 13.538 2.241 1.00 0.00 H new ATOM 1501 N LEU A 604 18.826 11.220 2.623 1.00 0.00 N ATOM 1502 CA LEU A 604 17.862 10.145 2.530 1.00 0.00 C ATOM 1503 C LEU A 604 16.658 10.593 1.734 1.00 0.00 C ATOM 1504 O LEU A 604 16.001 11.579 2.067 1.00 0.00 O ATOM 1505 CB LEU A 604 17.426 9.678 3.917 1.00 0.00 C ATOM 1506 CG LEU A 604 18.475 8.876 4.680 1.00 0.00 C ATOM 1507 CD1 LEU A 604 18.074 8.713 6.136 1.00 0.00 C ATOM 1508 CD2 LEU A 604 18.673 7.514 4.036 1.00 0.00 C ATOM 0 H LEU A 604 18.817 11.714 3.515 1.00 0.00 H new ATOM 0 HA LEU A 604 18.337 9.307 2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 604 17.154 10.551 4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 604 16.527 9.070 3.814 1.00 0.00 H new ATOM 0 HG LEU A 604 19.417 9.424 4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 604 18.837 8.138 6.661 1.00 0.00 H new ATOM 0 HD12 LEU A 604 17.977 9.695 6.599 1.00 0.00 H new ATOM 0 HD13 LEU A 604 17.120 8.189 6.194 1.00 0.00 H new ATOM 0 HD21 LEU A 604 19.425 6.954 4.592 1.00 0.00 H new ATOM 0 HD22 LEU A 604 17.731 6.966 4.047 1.00 0.00 H new ATOM 0 HD23 LEU A 604 19.006 7.643 3.006 1.00 0.00 H new ATOM 1520 N GLN A 605 16.388 9.865 0.680 1.00 0.00 N ATOM 1521 CA GLN A 605 15.268 10.167 -0.187 1.00 0.00 C ATOM 1522 C GLN A 605 14.560 8.870 -0.519 1.00 0.00 C ATOM 1523 O GLN A 605 15.188 7.808 -0.539 1.00 0.00 O ATOM 1524 CB GLN A 605 15.734 10.870 -1.451 1.00 0.00 C ATOM 1525 CG GLN A 605 16.515 9.974 -2.391 1.00 0.00 C ATOM 1526 CD GLN A 605 17.264 10.754 -3.444 1.00 0.00 C ATOM 1527 OE1 GLN A 605 17.372 10.331 -4.595 1.00 0.00 O ATOM 1528 NE2 GLN A 605 17.833 11.873 -3.042 1.00 0.00 N ATOM 0 H GLN A 605 16.932 9.050 0.396 1.00 0.00 H new ATOM 0 HA GLN A 605 14.580 10.843 0.321 1.00 0.00 H new ATOM 0 HB2 GLN A 605 14.866 11.266 -1.978 1.00 0.00 H new ATOM 0 HB3 GLN A 605 16.355 11.722 -1.175 1.00 0.00 H new ATOM 0 HG2 GLN A 605 17.222 9.376 -1.815 1.00 0.00 H new ATOM 0 HG3 GLN A 605 15.831 9.278 -2.877 1.00 0.00 H new ATOM 0 HE21 GLN A 605 17.717 12.186 -2.078 1.00 0.00 H new ATOM 0 HE22 GLN A 605 18.389 12.425 -3.695 1.00 0.00 H new ATOM 1537 N TRP A 606 13.262 8.928 -0.739 1.00 0.00 N ATOM 1538 CA TRP A 606 12.503 7.735 -1.034 1.00 0.00 C ATOM 1539 C TRP A 606 12.551 7.482 -2.530 1.00 0.00 C ATOM 1540 O TRP A 606 11.972 8.236 -3.311 1.00 0.00 O ATOM 1541 CB TRP A 606 11.055 7.892 -0.567 1.00 0.00 C ATOM 1542 CG TRP A 606 10.870 7.623 0.893 1.00 0.00 C ATOM 1543 CD1 TRP A 606 10.871 8.528 1.915 1.00 0.00 C ATOM 1544 CD2 TRP A 606 10.661 6.345 1.487 1.00 0.00 C ATOM 1545 NE1 TRP A 606 10.670 7.882 3.113 1.00 0.00 N ATOM 1546 CE2 TRP A 606 10.541 6.537 2.874 1.00 0.00 C ATOM 1547 CE3 TRP A 606 10.565 5.055 0.973 1.00 0.00 C ATOM 1548 CZ2 TRP A 606 10.327 5.476 3.753 1.00 0.00 C ATOM 1549 CZ3 TRP A 606 10.356 4.009 1.842 1.00 0.00 C ATOM 1550 CH2 TRP A 606 10.239 4.221 3.216 1.00 0.00 C ATOM 0 H TRP A 606 12.714 9.788 -0.719 1.00 0.00 H new ATOM 0 HA TRP A 606 12.937 6.887 -0.504 1.00 0.00 H new ATOM 0 HB2 TRP A 606 10.717 8.905 -0.788 1.00 0.00 H new ATOM 0 HB3 TRP A 606 10.421 7.213 -1.137 1.00 0.00 H new ATOM 0 HD1 TRP A 606 11.009 9.593 1.800 1.00 0.00 H new ATOM 0 HE1 TRP A 606 10.624 8.329 4.028 1.00 0.00 H new ATOM 0 HE3 TRP A 606 10.653 4.878 -0.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 606 10.234 5.639 4.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 606 10.281 3.004 1.453 1.00 0.00 H new ATOM 0 HH2 TRP A 606 10.076 3.377 3.869 1.00 0.00 H new ATOM 1561 N VAL A 607 13.248 6.436 -2.933 1.00 0.00 N ATOM 1562 CA VAL A 607 13.399 6.142 -4.344 1.00 0.00 C ATOM 1563 C VAL A 607 12.322 5.181 -4.806 1.00 0.00 C ATOM 1564 O VAL A 607 12.110 4.128 -4.210 1.00 0.00 O ATOM 1565 CB VAL A 607 14.787 5.532 -4.640 1.00 0.00 C ATOM 1566 CG1 VAL A 607 14.943 5.229 -6.123 1.00 0.00 C ATOM 1567 CG2 VAL A 607 15.896 6.459 -4.162 1.00 0.00 C ATOM 0 H VAL A 607 13.715 5.780 -2.307 1.00 0.00 H new ATOM 0 HA VAL A 607 13.304 7.082 -4.887 1.00 0.00 H new ATOM 0 HB VAL A 607 14.866 4.593 -4.093 1.00 0.00 H new ATOM 0 HG11 VAL A 607 15.929 4.800 -6.305 1.00 0.00 H new ATOM 0 HG12 VAL A 607 14.176 4.519 -6.432 1.00 0.00 H new ATOM 0 HG13 VAL A 607 14.837 6.150 -6.696 1.00 0.00 H new ATOM 0 HG21 VAL A 607 16.865 6.010 -4.380 1.00 0.00 H new ATOM 0 HG22 VAL A 607 15.816 7.417 -4.676 1.00 0.00 H new ATOM 0 HG23 VAL A 607 15.802 6.615 -3.087 1.00 0.00 H new ATOM 1577 N GLN A 608 11.634 5.572 -5.861 1.00 0.00 N ATOM 1578 CA GLN A 608 10.550 4.780 -6.400 1.00 0.00 C ATOM 1579 C GLN A 608 11.106 3.568 -7.129 1.00 0.00 C ATOM 1580 O GLN A 608 12.062 3.670 -7.904 1.00 0.00 O ATOM 1581 CB GLN A 608 9.678 5.607 -7.340 1.00 0.00 C ATOM 1582 CG GLN A 608 8.540 4.807 -7.945 1.00 0.00 C ATOM 1583 CD GLN A 608 7.476 5.673 -8.575 1.00 0.00 C ATOM 1584 OE1 GLN A 608 7.750 6.763 -9.081 1.00 0.00 O ATOM 1585 NE2 GLN A 608 6.250 5.191 -8.549 1.00 0.00 N ATOM 0 H GLN A 608 11.810 6.441 -6.364 1.00 0.00 H new ATOM 0 HA GLN A 608 9.927 4.445 -5.571 1.00 0.00 H new ATOM 0 HB2 GLN A 608 9.268 6.457 -6.794 1.00 0.00 H new ATOM 0 HB3 GLN A 608 10.297 6.011 -8.141 1.00 0.00 H new ATOM 0 HG2 GLN A 608 8.941 4.129 -8.698 1.00 0.00 H new ATOM 0 HG3 GLN A 608 8.086 4.190 -7.170 1.00 0.00 H new ATOM 0 HE21 GLN A 608 6.068 4.284 -8.120 1.00 0.00 H new ATOM 0 HE22 GLN A 608 5.483 5.725 -8.958 1.00 0.00 H new ATOM 1594 N LEU A 609 10.498 2.426 -6.871 1.00 0.00 N ATOM 1595 CA LEU A 609 10.924 1.168 -7.449 1.00 0.00 C ATOM 1596 C LEU A 609 10.094 0.905 -8.692 1.00 0.00 C ATOM 1597 O LEU A 609 8.905 1.237 -8.718 1.00 0.00 O ATOM 1598 CB LEU A 609 10.703 0.034 -6.442 1.00 0.00 C ATOM 1599 CG LEU A 609 11.446 0.179 -5.114 1.00 0.00 C ATOM 1600 CD1 LEU A 609 10.848 -0.747 -4.064 1.00 0.00 C ATOM 1601 CD2 LEU A 609 12.921 -0.126 -5.303 1.00 0.00 C ATOM 0 H LEU A 609 9.691 2.345 -6.252 1.00 0.00 H new ATOM 0 HA LEU A 609 11.983 1.216 -7.704 1.00 0.00 H new ATOM 0 HB2 LEU A 609 9.636 -0.041 -6.235 1.00 0.00 H new ATOM 0 HB3 LEU A 609 11.005 -0.905 -6.906 1.00 0.00 H new ATOM 0 HG LEU A 609 11.340 1.207 -4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 609 11.389 -0.630 -3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 609 9.799 -0.495 -3.912 1.00 0.00 H new ATOM 0 HD13 LEU A 609 10.927 -1.780 -4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 609 13.440 -0.019 -4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 609 13.038 -1.147 -5.667 1.00 0.00 H new ATOM 0 HD23 LEU A 609 13.346 0.569 -6.027 1.00 0.00 H new ATOM 1613 N SER A 610 10.682 0.332 -9.726 1.00 0.00 N ATOM 1614 CA SER A 610 9.950 -0.069 -10.904 1.00 0.00 C ATOM 1615 C SER A 610 9.290 -1.408 -10.639 1.00 0.00 C ATOM 1616 O SER A 610 9.624 -2.074 -9.658 1.00 0.00 O ATOM 1617 CB SER A 610 10.909 -0.170 -12.086 1.00 0.00 C ATOM 1618 OG SER A 610 11.757 0.967 -12.139 1.00 0.00 O ATOM 0 H SER A 610 11.682 0.133 -9.769 1.00 0.00 H new ATOM 0 HA SER A 610 9.182 0.667 -11.141 1.00 0.00 H new ATOM 0 HB2 SER A 610 11.510 -1.075 -11.997 1.00 0.00 H new ATOM 0 HB3 SER A 610 10.344 -0.252 -13.014 1.00 0.00 H new ATOM 0 HG SER A 610 12.456 0.886 -11.457 1.00 0.00 H new ATOM 1624 N ALA A 611 8.363 -1.804 -11.494 1.00 0.00 N ATOM 1625 CA ALA A 611 7.657 -3.061 -11.333 1.00 0.00 C ATOM 1626 C ALA A 611 8.626 -4.229 -11.211 1.00 0.00 C ATOM 1627 O ALA A 611 8.351 -5.191 -10.508 1.00 0.00 O ATOM 1628 CB ALA A 611 6.704 -3.281 -12.496 1.00 0.00 C ATOM 0 H ALA A 611 8.081 -1.267 -12.314 1.00 0.00 H new ATOM 0 HA ALA A 611 7.081 -3.008 -10.409 1.00 0.00 H new ATOM 0 HB1 ALA A 611 6.180 -4.228 -12.363 1.00 0.00 H new ATOM 0 HB2 ALA A 611 5.979 -2.467 -12.532 1.00 0.00 H new ATOM 0 HB3 ALA A 611 7.268 -3.306 -13.429 1.00 0.00 H new ATOM 1634 N GLU A 612 9.755 -4.145 -11.906 1.00 0.00 N ATOM 1635 CA GLU A 612 10.746 -5.218 -11.874 1.00 0.00 C ATOM 1636 C GLU A 612 11.488 -5.246 -10.532 1.00 0.00 C ATOM 1637 O GLU A 612 11.923 -6.305 -10.076 1.00 0.00 O ATOM 1638 CB GLU A 612 11.754 -5.057 -13.014 1.00 0.00 C ATOM 1639 CG GLU A 612 11.131 -5.119 -14.397 1.00 0.00 C ATOM 1640 CD GLU A 612 12.171 -5.129 -15.496 1.00 0.00 C ATOM 1641 OE1 GLU A 612 12.591 -4.038 -15.936 1.00 0.00 O ATOM 1642 OE2 GLU A 612 12.579 -6.231 -15.922 1.00 0.00 O ATOM 0 H GLU A 612 10.007 -3.351 -12.495 1.00 0.00 H new ATOM 0 HA GLU A 612 10.213 -6.161 -11.998 1.00 0.00 H new ATOM 0 HB2 GLU A 612 12.268 -4.103 -12.900 1.00 0.00 H new ATOM 0 HB3 GLU A 612 12.510 -5.838 -12.931 1.00 0.00 H new ATOM 0 HG2 GLU A 612 10.514 -6.014 -14.475 1.00 0.00 H new ATOM 0 HG3 GLU A 612 10.470 -4.263 -14.534 1.00 0.00 H new ATOM 1649 N GLU A 613 11.630 -4.080 -9.903 1.00 0.00 N ATOM 1650 CA GLU A 613 12.335 -3.968 -8.629 1.00 0.00 C ATOM 1651 C GLU A 613 11.421 -4.341 -7.469 1.00 0.00 C ATOM 1652 O GLU A 613 11.885 -4.785 -6.415 1.00 0.00 O ATOM 1653 CB GLU A 613 12.847 -2.546 -8.430 1.00 0.00 C ATOM 1654 CG GLU A 613 13.769 -2.067 -9.538 1.00 0.00 C ATOM 1655 CD GLU A 613 14.164 -0.616 -9.377 1.00 0.00 C ATOM 1656 OE1 GLU A 613 13.386 0.266 -9.808 1.00 0.00 O ATOM 1657 OE2 GLU A 613 15.252 -0.350 -8.822 1.00 0.00 O ATOM 0 H GLU A 613 11.264 -3.197 -10.258 1.00 0.00 H new ATOM 0 HA GLU A 613 13.178 -4.658 -8.651 1.00 0.00 H new ATOM 0 HB2 GLU A 613 11.995 -1.869 -8.361 1.00 0.00 H new ATOM 0 HB3 GLU A 613 13.377 -2.490 -7.479 1.00 0.00 H new ATOM 0 HG2 GLU A 613 14.667 -2.685 -9.552 1.00 0.00 H new ATOM 0 HG3 GLU A 613 13.275 -2.201 -10.500 1.00 0.00 H new ATOM 1664 N ILE A 614 10.126 -4.129 -7.675 1.00 0.00 N ATOM 1665 CA ILE A 614 9.105 -4.419 -6.669 1.00 0.00 C ATOM 1666 C ILE A 614 9.266 -5.818 -6.043 1.00 0.00 C ATOM 1667 O ILE A 614 9.448 -5.926 -4.828 1.00 0.00 O ATOM 1668 CB ILE A 614 7.688 -4.276 -7.280 1.00 0.00 C ATOM 1669 CG1 ILE A 614 7.348 -2.800 -7.511 1.00 0.00 C ATOM 1670 CG2 ILE A 614 6.644 -4.947 -6.404 1.00 0.00 C ATOM 1671 CD1 ILE A 614 5.961 -2.574 -8.080 1.00 0.00 C ATOM 0 H ILE A 614 9.752 -3.751 -8.545 1.00 0.00 H new ATOM 0 HA ILE A 614 9.237 -3.689 -5.870 1.00 0.00 H new ATOM 0 HB ILE A 614 7.682 -4.782 -8.246 1.00 0.00 H new ATOM 0 HG12 ILE A 614 7.435 -2.264 -6.566 1.00 0.00 H new ATOM 0 HG13 ILE A 614 8.084 -2.369 -8.190 1.00 0.00 H new ATOM 0 HG21 ILE A 614 5.660 -4.831 -6.857 1.00 0.00 H new ATOM 0 HG22 ILE A 614 6.877 -6.008 -6.308 1.00 0.00 H new ATOM 0 HG23 ILE A 614 6.646 -4.485 -5.417 1.00 0.00 H new ATOM 0 HD11 ILE A 614 5.793 -1.506 -8.216 1.00 0.00 H new ATOM 0 HD12 ILE A 614 5.875 -3.080 -9.042 1.00 0.00 H new ATOM 0 HD13 ILE A 614 5.216 -2.974 -7.392 1.00 0.00 H new ATOM 1683 N PRO A 615 9.242 -6.900 -6.851 1.00 0.00 N ATOM 1684 CA PRO A 615 9.337 -8.271 -6.340 1.00 0.00 C ATOM 1685 C PRO A 615 10.626 -8.518 -5.572 1.00 0.00 C ATOM 1686 O PRO A 615 10.638 -9.270 -4.598 1.00 0.00 O ATOM 1687 CB PRO A 615 9.292 -9.143 -7.599 1.00 0.00 C ATOM 1688 CG PRO A 615 9.618 -8.223 -8.718 1.00 0.00 C ATOM 1689 CD PRO A 615 9.099 -6.885 -8.311 1.00 0.00 C ATOM 0 HA PRO A 615 8.536 -8.487 -5.633 1.00 0.00 H new ATOM 0 HB2 PRO A 615 10.011 -9.960 -7.538 1.00 0.00 H new ATOM 0 HB3 PRO A 615 8.308 -9.593 -7.732 1.00 0.00 H new ATOM 0 HG2 PRO A 615 10.693 -8.188 -8.894 1.00 0.00 H new ATOM 0 HG3 PRO A 615 9.153 -8.556 -9.646 1.00 0.00 H new ATOM 0 HD2 PRO A 615 9.672 -6.076 -8.763 1.00 0.00 H new ATOM 0 HD3 PRO A 615 8.061 -6.747 -8.613 1.00 0.00 H new ATOM 1697 N SER A 616 11.702 -7.856 -5.986 1.00 0.00 N ATOM 1698 CA SER A 616 12.993 -8.017 -5.336 1.00 0.00 C ATOM 1699 C SER A 616 12.913 -7.542 -3.887 1.00 0.00 C ATOM 1700 O SER A 616 13.447 -8.175 -2.975 1.00 0.00 O ATOM 1701 CB SER A 616 14.054 -7.222 -6.095 1.00 0.00 C ATOM 1702 OG SER A 616 13.988 -7.494 -7.485 1.00 0.00 O ATOM 0 H SER A 616 11.703 -7.203 -6.770 1.00 0.00 H new ATOM 0 HA SER A 616 13.268 -9.072 -5.342 1.00 0.00 H new ATOM 0 HB2 SER A 616 13.909 -6.156 -5.921 1.00 0.00 H new ATOM 0 HB3 SER A 616 15.044 -7.475 -5.717 1.00 0.00 H new ATOM 0 HG SER A 616 14.674 -6.974 -7.953 1.00 0.00 H new ATOM 1708 N ARG A 617 12.216 -6.431 -3.686 1.00 0.00 N ATOM 1709 CA ARG A 617 11.995 -5.895 -2.351 1.00 0.00 C ATOM 1710 C ARG A 617 10.992 -6.744 -1.578 1.00 0.00 C ATOM 1711 O ARG A 617 11.169 -6.994 -0.384 1.00 0.00 O ATOM 1712 CB ARG A 617 11.532 -4.441 -2.424 1.00 0.00 C ATOM 1713 CG ARG A 617 12.676 -3.439 -2.456 1.00 0.00 C ATOM 1714 CD ARG A 617 13.580 -3.640 -3.661 1.00 0.00 C ATOM 1715 NE ARG A 617 14.654 -2.655 -3.695 1.00 0.00 N ATOM 1716 CZ ARG A 617 15.425 -2.415 -4.751 1.00 0.00 C ATOM 1717 NH1 ARG A 617 15.306 -3.148 -5.853 1.00 0.00 N ATOM 1718 NH2 ARG A 617 16.324 -1.441 -4.699 1.00 0.00 N ATOM 0 H ARG A 617 11.793 -5.882 -4.435 1.00 0.00 H new ATOM 0 HA ARG A 617 12.943 -5.926 -1.814 1.00 0.00 H new ATOM 0 HB2 ARG A 617 10.918 -4.308 -3.315 1.00 0.00 H new ATOM 0 HB3 ARG A 617 10.897 -4.227 -1.565 1.00 0.00 H new ATOM 0 HG2 ARG A 617 12.271 -2.427 -2.473 1.00 0.00 H new ATOM 0 HG3 ARG A 617 13.264 -3.532 -1.543 1.00 0.00 H new ATOM 0 HD2 ARG A 617 14.006 -4.643 -3.634 1.00 0.00 H new ATOM 0 HD3 ARG A 617 12.991 -3.568 -4.575 1.00 0.00 H new ATOM 0 HE ARG A 617 14.826 -2.112 -2.849 1.00 0.00 H new ATOM 0 HH11 ARG A 617 14.619 -3.901 -5.893 1.00 0.00 H new ATOM 0 HH12 ARG A 617 15.901 -2.957 -6.659 1.00 0.00 H new ATOM 0 HH21 ARG A 617 16.421 -0.881 -3.852 1.00 0.00 H new ATOM 0 HH22 ARG A 617 16.918 -1.252 -5.506 1.00 0.00 H new ATOM 1732 N ILE A 618 9.952 -7.200 -2.273 1.00 0.00 N ATOM 1733 CA ILE A 618 8.924 -8.044 -1.668 1.00 0.00 C ATOM 1734 C ILE A 618 9.537 -9.298 -1.054 1.00 0.00 C ATOM 1735 O ILE A 618 9.129 -9.737 0.011 1.00 0.00 O ATOM 1736 CB ILE A 618 7.856 -8.466 -2.701 1.00 0.00 C ATOM 1737 CG1 ILE A 618 7.109 -7.241 -3.232 1.00 0.00 C ATOM 1738 CG2 ILE A 618 6.880 -9.463 -2.093 1.00 0.00 C ATOM 1739 CD1 ILE A 618 6.033 -7.577 -4.244 1.00 0.00 C ATOM 0 H ILE A 618 9.799 -6.998 -3.261 1.00 0.00 H new ATOM 0 HA ILE A 618 8.449 -7.450 -0.888 1.00 0.00 H new ATOM 0 HB ILE A 618 8.363 -8.951 -3.535 1.00 0.00 H new ATOM 0 HG12 ILE A 618 6.655 -6.712 -2.394 1.00 0.00 H new ATOM 0 HG13 ILE A 618 7.826 -6.559 -3.689 1.00 0.00 H new ATOM 0 HG21 ILE A 618 6.137 -9.746 -2.839 1.00 0.00 H new ATOM 0 HG22 ILE A 618 7.422 -10.350 -1.766 1.00 0.00 H new ATOM 0 HG23 ILE A 618 6.381 -9.008 -1.238 1.00 0.00 H new ATOM 0 HD11 ILE A 618 5.546 -6.660 -4.576 1.00 0.00 H new ATOM 0 HD12 ILE A 618 6.483 -8.079 -5.100 1.00 0.00 H new ATOM 0 HD13 ILE A 618 5.294 -8.234 -3.785 1.00 0.00 H new ATOM 1751 N GLN A 619 10.526 -9.859 -1.729 1.00 0.00 N ATOM 1752 CA GLN A 619 11.188 -11.071 -1.261 1.00 0.00 C ATOM 1753 C GLN A 619 11.870 -10.867 0.085 1.00 0.00 C ATOM 1754 O GLN A 619 11.929 -11.786 0.901 1.00 0.00 O ATOM 1755 CB GLN A 619 12.182 -11.566 -2.301 1.00 0.00 C ATOM 1756 CG GLN A 619 11.503 -12.008 -3.581 1.00 0.00 C ATOM 1757 CD GLN A 619 10.556 -13.171 -3.367 1.00 0.00 C ATOM 1758 OE1 GLN A 619 10.952 -14.331 -3.447 1.00 0.00 O ATOM 1759 NE2 GLN A 619 9.294 -12.867 -3.105 1.00 0.00 N ATOM 0 H GLN A 619 10.892 -9.494 -2.608 1.00 0.00 H new ATOM 0 HA GLN A 619 10.420 -11.831 -1.118 1.00 0.00 H new ATOM 0 HB2 GLN A 619 12.895 -10.772 -2.526 1.00 0.00 H new ATOM 0 HB3 GLN A 619 12.752 -12.399 -1.888 1.00 0.00 H new ATOM 0 HG2 GLN A 619 10.951 -11.168 -4.004 1.00 0.00 H new ATOM 0 HG3 GLN A 619 12.261 -12.291 -4.311 1.00 0.00 H new ATOM 0 HE21 GLN A 619 9.006 -11.890 -3.047 1.00 0.00 H new ATOM 0 HE22 GLN A 619 8.610 -13.610 -2.961 1.00 0.00 H new ATOM 1768 N ALA A 620 12.397 -9.675 0.315 1.00 0.00 N ATOM 1769 CA ALA A 620 13.047 -9.370 1.579 1.00 0.00 C ATOM 1770 C ALA A 620 12.020 -9.110 2.679 1.00 0.00 C ATOM 1771 O ALA A 620 12.152 -9.607 3.799 1.00 0.00 O ATOM 1772 CB ALA A 620 13.963 -8.167 1.415 1.00 0.00 C ATOM 0 H ALA A 620 12.388 -8.906 -0.354 1.00 0.00 H new ATOM 0 HA ALA A 620 13.642 -10.234 1.875 1.00 0.00 H new ATOM 0 HB1 ALA A 620 14.446 -7.945 2.367 1.00 0.00 H new ATOM 0 HB2 ALA A 620 14.723 -8.388 0.665 1.00 0.00 H new ATOM 0 HB3 ALA A 620 13.378 -7.305 1.096 1.00 0.00 H new ATOM 1778 N ILE A 621 10.992 -8.338 2.348 1.00 0.00 N ATOM 1779 CA ILE A 621 9.972 -7.956 3.324 1.00 0.00 C ATOM 1780 C ILE A 621 8.872 -9.005 3.450 1.00 0.00 C ATOM 1781 O ILE A 621 7.951 -8.844 4.253 1.00 0.00 O ATOM 1782 CB ILE A 621 9.312 -6.613 2.962 1.00 0.00 C ATOM 1783 CG1 ILE A 621 8.664 -6.685 1.579 1.00 0.00 C ATOM 1784 CG2 ILE A 621 10.330 -5.487 3.011 1.00 0.00 C ATOM 1785 CD1 ILE A 621 7.835 -5.469 1.246 1.00 0.00 C ATOM 0 H ILE A 621 10.840 -7.963 1.412 1.00 0.00 H new ATOM 0 HA ILE A 621 10.497 -7.867 4.275 1.00 0.00 H new ATOM 0 HB ILE A 621 8.533 -6.408 3.697 1.00 0.00 H new ATOM 0 HG12 ILE A 621 9.443 -6.803 0.826 1.00 0.00 H new ATOM 0 HG13 ILE A 621 8.033 -7.572 1.526 1.00 0.00 H new ATOM 0 HG21 ILE A 621 9.844 -4.546 2.752 1.00 0.00 H new ATOM 0 HG22 ILE A 621 10.746 -5.416 4.016 1.00 0.00 H new ATOM 0 HG23 ILE A 621 11.131 -5.690 2.300 1.00 0.00 H new ATOM 0 HD11 ILE A 621 7.404 -5.584 0.252 1.00 0.00 H new ATOM 0 HD12 ILE A 621 7.035 -5.362 1.979 1.00 0.00 H new ATOM 0 HD13 ILE A 621 8.467 -4.581 1.267 1.00 0.00 H new