USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 522 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 524 LYS NZ :NH3+ 177:sc= 1.16 (180deg=0.94) USER MOD Single : A 526 GLN : amide:sc= 0.881 K(o=0.88,f=-0.19) USER MOD Single : A 528 GLN : amide:sc= 0.738 K(o=0.74,f=0) USER MOD Single : A 529 HIS : no HD1:sc= -0.0152 X(o=-0.015,f=-0.015) USER MOD Single : A 531 TYR OH : rot -151:sc= 1.24 USER MOD Single : A 532 THR OG1 : rot 180:sc= 0 USER MOD Single : A 534 THR OG1 : rot -40:sc= 0.078 USER MOD Single : A 536 THR OG1 : rot 180:sc= 0 USER MOD Single : A 540 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 542 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 558 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 564 MET CE :methyl 180:sc= -0.968 (180deg=-0.968) USER MOD Single : A 567 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 569 SER OG : rot 180:sc= 0 USER MOD Single : A 572 ASN : amide:sc=-0.00292 K(o=-0.0029,f=-0.54) USER MOD Single : A 573 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.074) USER MOD Single : A 574 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 575 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 579 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 580 CYS SG : rot 86:sc= -0.0153 USER MOD Single : A 587 ASN : amide:sc= 0.939 K(o=0.94,f=-5.2!) USER MOD Single : A 589 THR OG1 : rot -9:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 65 N LEU A 517 27.427 15.440 27.300 1.00 0.00 N ATOM 66 CA LEU A 517 27.371 16.812 27.806 1.00 0.00 C ATOM 67 C LEU A 517 25.915 17.273 28.023 1.00 0.00 C ATOM 68 O LEU A 517 24.986 16.655 27.495 1.00 0.00 O ATOM 69 CB LEU A 517 28.122 17.707 26.806 1.00 0.00 C ATOM 70 CG LEU A 517 29.654 17.608 26.922 1.00 0.00 C ATOM 71 CD1 LEU A 517 30.248 18.752 26.121 1.00 0.00 C ATOM 72 CD2 LEU A 517 30.216 17.799 28.330 1.00 0.00 C ATOM 0 HA LEU A 517 27.848 16.877 28.784 1.00 0.00 H new ATOM 0 HB2 LEU A 517 27.824 17.436 25.793 1.00 0.00 H new ATOM 0 HB3 LEU A 517 27.820 18.743 26.960 1.00 0.00 H new ATOM 0 HG LEU A 517 29.905 16.603 26.583 1.00 0.00 H new ATOM 0 HD11 LEU A 517 31.336 18.712 26.181 1.00 0.00 H new ATOM 0 HD12 LEU A 517 29.939 18.666 25.079 1.00 0.00 H new ATOM 0 HD13 LEU A 517 29.896 19.701 26.526 1.00 0.00 H new ATOM 0 HD21 LEU A 517 31.302 17.711 28.303 1.00 0.00 H new ATOM 0 HD22 LEU A 517 29.941 18.787 28.701 1.00 0.00 H new ATOM 0 HD23 LEU A 517 29.806 17.036 28.992 1.00 0.00 H new ATOM 84 N PRO A 518 25.696 18.342 28.811 1.00 0.00 N ATOM 85 CA PRO A 518 24.364 18.765 29.244 1.00 0.00 C ATOM 86 C PRO A 518 23.454 19.283 28.117 1.00 0.00 C ATOM 87 O PRO A 518 23.936 19.644 27.035 1.00 0.00 O ATOM 88 CB PRO A 518 24.597 19.813 30.340 1.00 0.00 C ATOM 89 CG PRO A 518 26.007 20.329 30.075 1.00 0.00 C ATOM 90 CD PRO A 518 26.718 19.121 29.489 1.00 0.00 C ATOM 0 HA PRO A 518 23.809 17.903 29.615 1.00 0.00 H new ATOM 0 HB2 PRO A 518 23.863 20.616 30.285 1.00 0.00 H new ATOM 0 HB3 PRO A 518 24.515 19.374 31.334 1.00 0.00 H new ATOM 0 HG2 PRO A 518 26.004 21.169 29.381 1.00 0.00 H new ATOM 0 HG3 PRO A 518 26.488 20.674 30.991 1.00 0.00 H new ATOM 0 HD2 PRO A 518 27.499 19.428 28.794 1.00 0.00 H new ATOM 0 HD3 PRO A 518 27.200 18.535 30.271 1.00 0.00 H new ATOM 98 N PRO A 519 22.130 19.343 28.360 1.00 0.00 N ATOM 99 CA PRO A 519 21.154 19.880 27.415 1.00 0.00 C ATOM 100 C PRO A 519 21.499 21.323 27.026 1.00 0.00 C ATOM 101 O PRO A 519 21.746 22.181 27.879 1.00 0.00 O ATOM 102 CB PRO A 519 19.794 19.771 28.114 1.00 0.00 C ATOM 103 CG PRO A 519 20.149 19.762 29.596 1.00 0.00 C ATOM 104 CD PRO A 519 21.470 19.006 29.613 1.00 0.00 C ATOM 0 HA PRO A 519 21.147 19.325 26.477 1.00 0.00 H new ATOM 0 HB2 PRO A 519 19.146 20.611 27.863 1.00 0.00 H new ATOM 0 HB3 PRO A 519 19.266 18.863 27.823 1.00 0.00 H new ATOM 0 HG2 PRO A 519 20.254 20.771 29.994 1.00 0.00 H new ATOM 0 HG3 PRO A 519 19.387 19.261 30.193 1.00 0.00 H new ATOM 0 HD2 PRO A 519 22.079 19.300 30.468 1.00 0.00 H new ATOM 0 HD3 PRO A 519 21.306 17.931 29.693 1.00 0.00 H new ATOM 112 N GLY A 520 21.547 21.576 25.719 1.00 0.00 N ATOM 113 CA GLY A 520 21.921 22.865 25.140 1.00 0.00 C ATOM 114 C GLY A 520 23.411 23.230 25.193 1.00 0.00 C ATOM 115 O GLY A 520 23.734 24.328 24.735 1.00 0.00 O ATOM 0 H GLY A 520 21.321 20.872 25.016 1.00 0.00 H new ATOM 0 HA2 GLY A 520 21.603 22.876 24.097 1.00 0.00 H new ATOM 0 HA3 GLY A 520 21.359 23.646 25.653 1.00 0.00 H new ATOM 119 N PHE A 521 24.319 22.375 25.707 1.00 0.00 N ATOM 120 CA PHE A 521 25.744 22.692 25.872 1.00 0.00 C ATOM 121 C PHE A 521 26.408 23.517 24.755 1.00 0.00 C ATOM 122 O PHE A 521 26.333 23.140 23.577 1.00 0.00 O ATOM 123 CB PHE A 521 26.554 21.428 26.185 1.00 0.00 C ATOM 124 CG PHE A 521 28.055 21.651 26.180 1.00 0.00 C ATOM 125 CD1 PHE A 521 28.799 21.576 24.984 1.00 0.00 C ATOM 126 CD2 PHE A 521 28.697 21.992 27.385 1.00 0.00 C ATOM 127 CE1 PHE A 521 30.183 21.826 24.997 1.00 0.00 C ATOM 128 CE2 PHE A 521 30.082 22.231 27.396 1.00 0.00 C ATOM 129 CZ PHE A 521 30.825 22.121 26.210 1.00 0.00 C ATOM 0 H PHE A 521 24.076 21.436 26.021 1.00 0.00 H new ATOM 0 HA PHE A 521 25.758 23.370 26.725 1.00 0.00 H new ATOM 0 HB2 PHE A 521 26.255 21.048 27.162 1.00 0.00 H new ATOM 0 HB3 PHE A 521 26.307 20.658 25.454 1.00 0.00 H new ATOM 0 HD1 PHE A 521 28.305 21.326 24.057 1.00 0.00 H new ATOM 0 HD2 PHE A 521 28.127 22.070 28.299 1.00 0.00 H new ATOM 0 HE1 PHE A 521 30.749 21.791 24.078 1.00 0.00 H new ATOM 0 HE2 PHE A 521 30.575 22.500 28.318 1.00 0.00 H new ATOM 0 HZ PHE A 521 31.895 22.264 26.231 1.00 0.00 H new ATOM 139 N MET A 522 27.069 24.616 25.133 1.00 0.00 N ATOM 140 CA MET A 522 27.702 25.548 24.192 1.00 0.00 C ATOM 141 C MET A 522 29.221 25.387 24.157 1.00 0.00 C ATOM 142 O MET A 522 29.800 25.234 23.084 1.00 0.00 O ATOM 143 CB MET A 522 27.331 26.999 24.545 1.00 0.00 C ATOM 144 CG MET A 522 25.815 27.185 24.610 1.00 0.00 C ATOM 145 SD MET A 522 25.192 28.888 24.528 1.00 0.00 S ATOM 146 CE MET A 522 25.931 29.595 26.026 1.00 0.00 C ATOM 0 H MET A 522 27.181 24.887 26.110 1.00 0.00 H new ATOM 0 HA MET A 522 27.324 25.310 23.198 1.00 0.00 H new ATOM 0 HB2 MET A 522 27.774 27.267 25.504 1.00 0.00 H new ATOM 0 HB3 MET A 522 27.751 27.675 23.800 1.00 0.00 H new ATOM 0 HG2 MET A 522 25.369 26.621 23.791 1.00 0.00 H new ATOM 0 HG3 MET A 522 25.458 26.737 25.537 1.00 0.00 H new ATOM 0 HE1 MET A 522 25.640 30.641 26.116 1.00 0.00 H new ATOM 0 HE2 MET A 522 25.581 29.044 26.899 1.00 0.00 H new ATOM 0 HE3 MET A 522 27.017 29.525 25.964 1.00 0.00 H new ATOM 156 N PHE A 523 29.860 25.449 25.323 1.00 0.00 N ATOM 157 CA PHE A 523 31.314 25.433 25.505 1.00 0.00 C ATOM 158 C PHE A 523 31.735 25.191 26.949 1.00 0.00 C ATOM 159 O PHE A 523 30.894 25.189 27.837 1.00 0.00 O ATOM 160 CB PHE A 523 31.954 26.708 24.936 1.00 0.00 C ATOM 161 CG PHE A 523 31.325 28.030 25.338 1.00 0.00 C ATOM 162 CD1 PHE A 523 30.310 28.608 24.550 1.00 0.00 C ATOM 163 CD2 PHE A 523 31.797 28.714 26.473 1.00 0.00 C ATOM 164 CE1 PHE A 523 29.764 29.855 24.902 1.00 0.00 C ATOM 165 CE2 PHE A 523 31.256 29.965 26.819 1.00 0.00 C ATOM 166 CZ PHE A 523 30.241 30.537 26.033 1.00 0.00 C ATOM 0 H PHE A 523 29.358 25.515 26.208 1.00 0.00 H new ATOM 0 HA PHE A 523 31.688 24.580 24.938 1.00 0.00 H new ATOM 0 HB2 PHE A 523 33.002 26.725 25.237 1.00 0.00 H new ATOM 0 HB3 PHE A 523 31.936 26.640 23.848 1.00 0.00 H new ATOM 0 HD1 PHE A 523 29.950 28.091 23.673 1.00 0.00 H new ATOM 0 HD2 PHE A 523 32.576 28.277 27.080 1.00 0.00 H new ATOM 0 HE1 PHE A 523 28.977 30.288 24.302 1.00 0.00 H new ATOM 0 HE2 PHE A 523 31.621 30.487 27.691 1.00 0.00 H new ATOM 0 HZ PHE A 523 29.829 31.499 26.298 1.00 0.00 H new ATOM 176 N LYS A 524 33.022 25.000 27.219 1.00 0.00 N ATOM 177 CA LYS A 524 33.560 24.963 28.582 1.00 0.00 C ATOM 178 C LYS A 524 34.314 26.252 28.951 1.00 0.00 C ATOM 179 O LYS A 524 34.734 27.031 28.093 1.00 0.00 O ATOM 180 CB LYS A 524 34.439 23.724 28.741 1.00 0.00 C ATOM 181 CG LYS A 524 33.700 22.394 28.619 1.00 0.00 C ATOM 182 CD LYS A 524 34.617 21.260 29.073 1.00 0.00 C ATOM 183 CE LYS A 524 34.115 19.901 28.599 1.00 0.00 C ATOM 184 NZ LYS A 524 35.136 18.858 28.839 1.00 0.00 N ATOM 0 H LYS A 524 33.729 24.865 26.496 1.00 0.00 H new ATOM 0 HA LYS A 524 32.726 24.901 29.281 1.00 0.00 H new ATOM 0 HB2 LYS A 524 35.227 23.756 27.988 1.00 0.00 H new ATOM 0 HB3 LYS A 524 34.927 23.764 29.715 1.00 0.00 H new ATOM 0 HG2 LYS A 524 32.796 22.411 29.227 1.00 0.00 H new ATOM 0 HG3 LYS A 524 33.387 22.233 27.587 1.00 0.00 H new ATOM 0 HD2 LYS A 524 35.623 21.430 28.689 1.00 0.00 H new ATOM 0 HD3 LYS A 524 34.687 21.262 30.161 1.00 0.00 H new ATOM 0 HE2 LYS A 524 33.194 19.644 29.123 1.00 0.00 H new ATOM 0 HE3 LYS A 524 33.875 19.946 27.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 524 34.758 17.931 28.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 524 35.987 19.070 28.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 524 35.382 18.839 29.849 1.00 0.00 H new ATOM 198 N VAL A 525 34.555 26.429 30.245 1.00 0.00 N ATOM 199 CA VAL A 525 35.509 27.385 30.842 1.00 0.00 C ATOM 200 C VAL A 525 36.333 26.674 31.923 1.00 0.00 C ATOM 201 O VAL A 525 35.900 25.634 32.423 1.00 0.00 O ATOM 202 CB VAL A 525 34.807 28.641 31.404 1.00 0.00 C ATOM 203 CG1 VAL A 525 33.916 29.329 30.366 1.00 0.00 C ATOM 204 CG2 VAL A 525 33.930 28.251 32.593 1.00 0.00 C ATOM 0 H VAL A 525 34.067 25.883 30.955 1.00 0.00 H new ATOM 0 HA VAL A 525 36.176 27.738 30.055 1.00 0.00 H new ATOM 0 HB VAL A 525 35.594 29.335 31.700 1.00 0.00 H new ATOM 0 HG11 VAL A 525 33.447 30.205 30.813 1.00 0.00 H new ATOM 0 HG12 VAL A 525 34.521 29.637 29.513 1.00 0.00 H new ATOM 0 HG13 VAL A 525 33.145 28.635 30.032 1.00 0.00 H new ATOM 0 HG21 VAL A 525 33.436 29.139 32.987 1.00 0.00 H new ATOM 0 HG22 VAL A 525 33.178 27.531 32.270 1.00 0.00 H new ATOM 0 HG23 VAL A 525 34.549 27.805 33.371 1.00 0.00 H new ATOM 214 N GLN A 526 37.481 27.228 32.331 1.00 0.00 N ATOM 215 CA GLN A 526 38.213 26.759 33.518 1.00 0.00 C ATOM 216 C GLN A 526 38.482 27.900 34.515 1.00 0.00 C ATOM 217 O GLN A 526 38.987 28.953 34.126 1.00 0.00 O ATOM 218 CB GLN A 526 39.508 26.030 33.117 1.00 0.00 C ATOM 219 CG GLN A 526 40.093 25.229 34.298 1.00 0.00 C ATOM 220 CD GLN A 526 40.992 24.061 33.883 1.00 0.00 C ATOM 221 OE1 GLN A 526 41.504 23.963 32.772 1.00 0.00 O ATOM 222 NE2 GLN A 526 41.217 23.117 34.768 1.00 0.00 N ATOM 0 H GLN A 526 37.928 28.010 31.852 1.00 0.00 H new ATOM 0 HA GLN A 526 37.577 26.039 34.033 1.00 0.00 H new ATOM 0 HB2 GLN A 526 39.305 25.357 32.284 1.00 0.00 H new ATOM 0 HB3 GLN A 526 40.243 26.756 32.769 1.00 0.00 H new ATOM 0 HG2 GLN A 526 40.666 25.905 34.932 1.00 0.00 H new ATOM 0 HG3 GLN A 526 39.272 24.843 34.903 1.00 0.00 H new ATOM 0 HE21 GLN A 526 40.801 23.179 35.697 1.00 0.00 H new ATOM 0 HE22 GLN A 526 41.808 22.322 34.526 1.00 0.00 H new ATOM 231 N ALA A 527 38.166 27.715 35.800 1.00 0.00 N ATOM 232 CA ALA A 527 38.397 28.708 36.855 1.00 0.00 C ATOM 233 C ALA A 527 39.893 29.014 37.023 1.00 0.00 C ATOM 234 O ALA A 527 40.719 28.115 37.190 1.00 0.00 O ATOM 235 CB ALA A 527 37.721 28.245 38.157 1.00 0.00 C ATOM 0 H ALA A 527 37.735 26.856 36.143 1.00 0.00 H new ATOM 0 HA ALA A 527 37.939 29.654 36.567 1.00 0.00 H new ATOM 0 HB1 ALA A 527 37.894 28.984 38.939 1.00 0.00 H new ATOM 0 HB2 ALA A 527 36.649 28.136 37.992 1.00 0.00 H new ATOM 0 HB3 ALA A 527 38.140 27.287 38.464 1.00 0.00 H new ATOM 241 N GLN A 528 40.229 30.300 36.972 1.00 0.00 N ATOM 242 CA GLN A 528 41.547 30.845 37.296 1.00 0.00 C ATOM 243 C GLN A 528 41.648 31.178 38.798 1.00 0.00 C ATOM 244 O GLN A 528 42.727 31.101 39.383 1.00 0.00 O ATOM 245 CB GLN A 528 41.779 32.121 36.466 1.00 0.00 C ATOM 246 CG GLN A 528 41.585 32.017 34.942 1.00 0.00 C ATOM 247 CD GLN A 528 42.369 30.892 34.278 1.00 0.00 C ATOM 248 OE1 GLN A 528 43.555 30.996 33.977 1.00 0.00 O ATOM 249 NE2 GLN A 528 41.750 29.750 34.103 1.00 0.00 N ATOM 0 H GLN A 528 39.564 31.021 36.693 1.00 0.00 H new ATOM 0 HA GLN A 528 42.306 30.100 37.059 1.00 0.00 H new ATOM 0 HB2 GLN A 528 41.107 32.893 36.840 1.00 0.00 H new ATOM 0 HB3 GLN A 528 42.796 32.465 36.654 1.00 0.00 H new ATOM 0 HG2 GLN A 528 40.525 31.876 34.733 1.00 0.00 H new ATOM 0 HG3 GLN A 528 41.877 32.963 34.486 1.00 0.00 H new ATOM 0 HE21 GLN A 528 40.765 29.660 34.352 1.00 0.00 H new ATOM 0 HE22 GLN A 528 42.253 28.951 33.718 1.00 0.00 H new ATOM 258 N HIS A 529 40.517 31.515 39.430 1.00 0.00 N ATOM 259 CA HIS A 529 40.402 31.942 40.829 1.00 0.00 C ATOM 260 C HIS A 529 39.194 31.288 41.521 1.00 0.00 C ATOM 261 O HIS A 529 38.256 30.843 40.860 1.00 0.00 O ATOM 262 CB HIS A 529 40.337 33.476 40.886 1.00 0.00 C ATOM 263 CG HIS A 529 41.615 34.120 40.415 1.00 0.00 C ATOM 264 ND1 HIS A 529 42.772 34.246 41.146 1.00 0.00 N ATOM 265 CD2 HIS A 529 41.862 34.628 39.169 1.00 0.00 C ATOM 266 CE1 HIS A 529 43.697 34.822 40.358 1.00 0.00 C ATOM 267 NE2 HIS A 529 43.191 35.068 39.132 1.00 0.00 N ATOM 0 H HIS A 529 39.614 31.496 38.956 1.00 0.00 H new ATOM 0 HA HIS A 529 41.283 31.610 41.378 1.00 0.00 H new ATOM 0 HB2 HIS A 529 39.508 33.825 40.270 1.00 0.00 H new ATOM 0 HB3 HIS A 529 40.129 33.791 41.909 1.00 0.00 H new ATOM 0 HD2 HIS A 529 41.154 34.681 38.355 1.00 0.00 H new ATOM 0 HE1 HIS A 529 44.706 35.055 40.664 1.00 0.00 H new ATOM 0 HE2 HIS A 529 43.677 35.489 38.340 1.00 0.00 H new ATOM 275 N ASP A 530 39.218 31.197 42.852 1.00 0.00 N ATOM 276 CA ASP A 530 38.133 30.640 43.665 1.00 0.00 C ATOM 277 C ASP A 530 36.992 31.621 43.982 1.00 0.00 C ATOM 278 O ASP A 530 37.238 32.739 44.448 1.00 0.00 O ATOM 279 CB ASP A 530 38.647 29.938 44.934 1.00 0.00 C ATOM 280 CG ASP A 530 39.639 30.719 45.811 1.00 0.00 C ATOM 281 OD1 ASP A 530 40.312 31.675 45.356 1.00 0.00 O ATOM 282 OD2 ASP A 530 39.785 30.331 46.993 1.00 0.00 O ATOM 0 H ASP A 530 40.011 31.516 43.409 1.00 0.00 H new ATOM 0 HA ASP A 530 37.685 29.882 43.022 1.00 0.00 H new ATOM 0 HB2 ASP A 530 37.786 29.676 45.548 1.00 0.00 H new ATOM 0 HB3 ASP A 530 39.122 29.004 44.635 1.00 0.00 H new ATOM 287 N TYR A 531 35.745 31.187 43.774 1.00 0.00 N ATOM 288 CA TYR A 531 34.552 32.029 43.866 1.00 0.00 C ATOM 289 C TYR A 531 33.425 31.361 44.673 1.00 0.00 C ATOM 290 O TYR A 531 32.879 30.327 44.278 1.00 0.00 O ATOM 291 CB TYR A 531 34.081 32.403 42.453 1.00 0.00 C ATOM 292 CG TYR A 531 32.909 33.361 42.500 1.00 0.00 C ATOM 293 CD1 TYR A 531 33.161 34.729 42.728 1.00 0.00 C ATOM 294 CD2 TYR A 531 31.583 32.887 42.453 1.00 0.00 C ATOM 295 CE1 TYR A 531 32.096 35.619 42.947 1.00 0.00 C ATOM 296 CE2 TYR A 531 30.514 33.777 42.671 1.00 0.00 C ATOM 297 CZ TYR A 531 30.772 35.140 42.938 1.00 0.00 C ATOM 298 OH TYR A 531 29.753 35.988 43.227 1.00 0.00 O ATOM 0 H TYR A 531 35.534 30.219 43.532 1.00 0.00 H new ATOM 0 HA TYR A 531 34.817 32.936 44.409 1.00 0.00 H new ATOM 0 HB2 TYR A 531 34.904 32.858 41.902 1.00 0.00 H new ATOM 0 HB3 TYR A 531 33.795 31.501 41.912 1.00 0.00 H new ATOM 0 HD1 TYR A 531 34.177 35.095 42.734 1.00 0.00 H new ATOM 0 HD2 TYR A 531 31.387 31.844 42.250 1.00 0.00 H new ATOM 0 HE1 TYR A 531 32.292 36.667 43.122 1.00 0.00 H new ATOM 0 HE2 TYR A 531 29.496 33.417 42.634 1.00 0.00 H new ATOM 0 HH TYR A 531 29.012 35.485 43.626 1.00 0.00 H new ATOM 308 N THR A 532 33.058 31.968 45.803 1.00 0.00 N ATOM 309 CA THR A 532 31.955 31.525 46.675 1.00 0.00 C ATOM 310 C THR A 532 30.565 32.007 46.253 1.00 0.00 C ATOM 311 O THR A 532 30.337 33.211 46.144 1.00 0.00 O ATOM 312 CB THR A 532 32.224 31.846 48.157 1.00 0.00 C ATOM 313 OG1 THR A 532 33.589 31.646 48.466 1.00 0.00 O ATOM 314 CG2 THR A 532 31.396 30.994 49.113 1.00 0.00 C ATOM 0 H THR A 532 33.528 32.804 46.151 1.00 0.00 H new ATOM 0 HA THR A 532 31.936 30.442 46.550 1.00 0.00 H new ATOM 0 HB THR A 532 31.939 32.890 48.291 1.00 0.00 H new ATOM 0 HG1 THR A 532 33.745 31.856 49.411 1.00 0.00 H new ATOM 0 HG21 THR A 532 31.631 31.268 50.141 1.00 0.00 H new ATOM 0 HG22 THR A 532 30.336 31.163 48.926 1.00 0.00 H new ATOM 0 HG23 THR A 532 31.628 29.941 48.956 1.00 0.00 H new ATOM 322 N ALA A 533 29.603 31.096 46.076 1.00 0.00 N ATOM 323 CA ALA A 533 28.209 31.449 45.828 1.00 0.00 C ATOM 324 C ALA A 533 27.533 32.016 47.088 1.00 0.00 C ATOM 325 O ALA A 533 27.754 31.543 48.209 1.00 0.00 O ATOM 326 CB ALA A 533 27.454 30.225 45.293 1.00 0.00 C ATOM 0 H ALA A 533 29.774 30.091 46.102 1.00 0.00 H new ATOM 0 HA ALA A 533 28.181 32.237 45.076 1.00 0.00 H new ATOM 0 HB1 ALA A 533 26.413 30.491 45.109 1.00 0.00 H new ATOM 0 HB2 ALA A 533 27.914 29.892 44.362 1.00 0.00 H new ATOM 0 HB3 ALA A 533 27.498 29.421 46.027 1.00 0.00 H new ATOM 332 N THR A 534 26.676 33.008 46.876 1.00 0.00 N ATOM 333 CA THR A 534 25.962 33.782 47.904 1.00 0.00 C ATOM 334 C THR A 534 24.480 34.091 47.603 1.00 0.00 C ATOM 335 O THR A 534 23.750 34.591 48.462 1.00 0.00 O ATOM 336 CB THR A 534 26.812 34.998 48.302 1.00 0.00 C ATOM 337 OG1 THR A 534 26.419 35.470 49.565 1.00 0.00 O ATOM 338 CG2 THR A 534 26.741 36.147 47.296 1.00 0.00 C ATOM 0 H THR A 534 26.443 33.317 45.932 1.00 0.00 H new ATOM 0 HA THR A 534 25.854 33.140 48.778 1.00 0.00 H new ATOM 0 HB THR A 534 27.845 34.650 48.323 1.00 0.00 H new ATOM 0 HG1 THR A 534 25.442 35.439 49.636 1.00 0.00 H new ATOM 0 HG21 THR A 534 27.365 36.972 47.641 1.00 0.00 H new ATOM 0 HG22 THR A 534 27.098 35.803 46.325 1.00 0.00 H new ATOM 0 HG23 THR A 534 25.709 36.487 47.204 1.00 0.00 H new ATOM 346 N ASP A 535 23.998 33.721 46.413 1.00 0.00 N ATOM 347 CA ASP A 535 22.586 33.609 46.024 1.00 0.00 C ATOM 348 C ASP A 535 22.117 32.213 45.581 1.00 0.00 C ATOM 349 O ASP A 535 22.898 31.396 45.084 1.00 0.00 O ATOM 350 CB ASP A 535 22.157 34.714 45.038 1.00 0.00 C ATOM 351 CG ASP A 535 21.824 36.058 45.695 1.00 0.00 C ATOM 352 OD1 ASP A 535 21.058 36.085 46.686 1.00 0.00 O ATOM 353 OD2 ASP A 535 22.256 37.118 45.185 1.00 0.00 O ATOM 0 H ASP A 535 24.623 33.476 45.645 1.00 0.00 H new ATOM 0 HA ASP A 535 22.052 33.771 46.960 1.00 0.00 H new ATOM 0 HB2 ASP A 535 22.956 34.867 44.313 1.00 0.00 H new ATOM 0 HB3 ASP A 535 21.285 34.369 44.483 1.00 0.00 H new ATOM 358 N THR A 536 20.816 31.945 45.717 1.00 0.00 N ATOM 359 CA THR A 536 20.179 30.662 45.356 1.00 0.00 C ATOM 360 C THR A 536 20.378 30.176 43.908 1.00 0.00 C ATOM 361 O THR A 536 20.290 28.976 43.643 1.00 0.00 O ATOM 362 CB THR A 536 18.695 30.694 45.753 1.00 0.00 C ATOM 363 OG1 THR A 536 18.163 29.387 45.779 1.00 0.00 O ATOM 364 CG2 THR A 536 17.847 31.521 44.787 1.00 0.00 C ATOM 0 H THR A 536 20.155 32.626 46.090 1.00 0.00 H new ATOM 0 HA THR A 536 20.713 29.906 45.932 1.00 0.00 H new ATOM 0 HB THR A 536 18.656 31.154 46.741 1.00 0.00 H new ATOM 0 HG1 THR A 536 17.218 29.424 46.035 1.00 0.00 H new ATOM 0 HG21 THR A 536 16.807 31.510 45.114 1.00 0.00 H new ATOM 0 HG22 THR A 536 18.211 32.548 44.771 1.00 0.00 H new ATOM 0 HG23 THR A 536 17.917 31.095 43.786 1.00 0.00 H new ATOM 372 N ASP A 537 20.680 31.070 42.961 1.00 0.00 N ATOM 373 CA ASP A 537 20.951 30.732 41.551 1.00 0.00 C ATOM 374 C ASP A 537 22.443 30.648 41.159 1.00 0.00 C ATOM 375 O ASP A 537 22.761 30.229 40.046 1.00 0.00 O ATOM 376 CB ASP A 537 20.178 31.692 40.634 1.00 0.00 C ATOM 377 CG ASP A 537 18.658 31.584 40.787 1.00 0.00 C ATOM 378 OD1 ASP A 537 18.015 32.641 40.997 1.00 0.00 O ATOM 379 OD2 ASP A 537 18.097 30.463 40.695 1.00 0.00 O ATOM 0 H ASP A 537 20.745 32.070 43.152 1.00 0.00 H new ATOM 0 HA ASP A 537 20.595 29.711 41.417 1.00 0.00 H new ATOM 0 HB2 ASP A 537 20.486 32.715 40.849 1.00 0.00 H new ATOM 0 HB3 ASP A 537 20.447 31.489 39.597 1.00 0.00 H new ATOM 384 N GLU A 538 23.365 31.039 42.046 1.00 0.00 N ATOM 385 CA GLU A 538 24.817 31.055 41.796 1.00 0.00 C ATOM 386 C GLU A 538 25.490 29.672 41.801 1.00 0.00 C ATOM 387 O GLU A 538 25.007 28.723 42.431 1.00 0.00 O ATOM 388 CB GLU A 538 25.520 31.962 42.815 1.00 0.00 C ATOM 389 CG GLU A 538 25.728 33.386 42.306 1.00 0.00 C ATOM 390 CD GLU A 538 26.444 34.208 43.373 1.00 0.00 C ATOM 391 OE1 GLU A 538 25.940 34.292 44.513 1.00 0.00 O ATOM 392 OE2 GLU A 538 27.495 34.819 43.099 1.00 0.00 O ATOM 0 H GLU A 538 23.119 31.362 42.982 1.00 0.00 H new ATOM 0 HA GLU A 538 24.926 31.441 40.783 1.00 0.00 H new ATOM 0 HB2 GLU A 538 24.931 31.993 43.732 1.00 0.00 H new ATOM 0 HB3 GLU A 538 26.487 31.529 43.071 1.00 0.00 H new ATOM 0 HG2 GLU A 538 26.314 33.373 41.387 1.00 0.00 H new ATOM 0 HG3 GLU A 538 24.767 33.841 42.065 1.00 0.00 H new ATOM 399 N LEU A 539 26.644 29.598 41.130 1.00 0.00 N ATOM 400 CA LEU A 539 27.570 28.466 41.059 1.00 0.00 C ATOM 401 C LEU A 539 28.810 28.704 41.948 1.00 0.00 C ATOM 402 O LEU A 539 29.383 29.793 41.947 1.00 0.00 O ATOM 403 CB LEU A 539 27.998 28.280 39.585 1.00 0.00 C ATOM 404 CG LEU A 539 27.989 26.833 39.064 1.00 0.00 C ATOM 405 CD1 LEU A 539 28.671 26.746 37.712 1.00 0.00 C ATOM 406 CD2 LEU A 539 28.697 25.841 39.981 1.00 0.00 C ATOM 0 H LEU A 539 26.979 30.389 40.581 1.00 0.00 H new ATOM 0 HA LEU A 539 27.072 27.568 41.425 1.00 0.00 H new ATOM 0 HB2 LEU A 539 27.337 28.877 38.956 1.00 0.00 H new ATOM 0 HB3 LEU A 539 29.003 28.684 39.464 1.00 0.00 H new ATOM 0 HG LEU A 539 26.934 26.566 39.008 1.00 0.00 H new ATOM 0 HD11 LEU A 539 28.654 25.714 37.362 1.00 0.00 H new ATOM 0 HD12 LEU A 539 28.146 27.381 36.998 1.00 0.00 H new ATOM 0 HD13 LEU A 539 29.704 27.081 37.803 1.00 0.00 H new ATOM 0 HD21 LEU A 539 28.648 24.843 39.545 1.00 0.00 H new ATOM 0 HD22 LEU A 539 29.740 26.135 40.098 1.00 0.00 H new ATOM 0 HD23 LEU A 539 28.210 25.835 40.956 1.00 0.00 H new ATOM 418 N GLN A 540 29.250 27.681 42.681 1.00 0.00 N ATOM 419 CA GLN A 540 30.454 27.705 43.523 1.00 0.00 C ATOM 420 C GLN A 540 31.686 27.159 42.766 1.00 0.00 C ATOM 421 O GLN A 540 31.687 26.001 42.340 1.00 0.00 O ATOM 422 CB GLN A 540 30.126 26.876 44.774 1.00 0.00 C ATOM 423 CG GLN A 540 31.186 26.954 45.883 1.00 0.00 C ATOM 424 CD GLN A 540 30.838 26.044 47.062 1.00 0.00 C ATOM 425 OE1 GLN A 540 31.258 24.897 47.140 1.00 0.00 O ATOM 426 NE2 GLN A 540 29.925 26.435 47.925 1.00 0.00 N ATOM 0 H GLN A 540 28.766 26.784 42.708 1.00 0.00 H new ATOM 0 HA GLN A 540 30.719 28.725 43.802 1.00 0.00 H new ATOM 0 HB2 GLN A 540 29.171 27.212 45.177 1.00 0.00 H new ATOM 0 HB3 GLN A 540 30.000 25.834 44.481 1.00 0.00 H new ATOM 0 HG2 GLN A 540 32.158 26.670 45.479 1.00 0.00 H new ATOM 0 HG3 GLN A 540 31.274 27.983 46.231 1.00 0.00 H new ATOM 0 HE21 GLN A 540 29.557 27.386 47.883 1.00 0.00 H new ATOM 0 HE22 GLN A 540 29.585 25.788 48.636 1.00 0.00 H new ATOM 435 N LEU A 541 32.757 27.952 42.627 1.00 0.00 N ATOM 436 CA LEU A 541 33.980 27.588 41.885 1.00 0.00 C ATOM 437 C LEU A 541 35.241 27.563 42.773 1.00 0.00 C ATOM 438 O LEU A 541 35.393 28.354 43.708 1.00 0.00 O ATOM 439 CB LEU A 541 34.182 28.510 40.654 1.00 0.00 C ATOM 440 CG LEU A 541 33.032 28.557 39.621 1.00 0.00 C ATOM 441 CD1 LEU A 541 33.430 29.446 38.445 1.00 0.00 C ATOM 442 CD2 LEU A 541 32.704 27.165 39.081 1.00 0.00 C ATOM 0 H LEU A 541 32.802 28.886 43.035 1.00 0.00 H new ATOM 0 HA LEU A 541 33.832 26.567 41.532 1.00 0.00 H new ATOM 0 HB2 LEU A 541 34.357 29.524 41.014 1.00 0.00 H new ATOM 0 HB3 LEU A 541 35.089 28.194 40.138 1.00 0.00 H new ATOM 0 HG LEU A 541 32.153 28.956 40.128 1.00 0.00 H new ATOM 0 HD11 LEU A 541 32.617 29.476 37.720 1.00 0.00 H new ATOM 0 HD12 LEU A 541 33.633 30.455 38.804 1.00 0.00 H new ATOM 0 HD13 LEU A 541 34.324 29.043 37.970 1.00 0.00 H new ATOM 0 HD21 LEU A 541 31.891 27.237 38.358 1.00 0.00 H new ATOM 0 HD22 LEU A 541 33.585 26.746 38.596 1.00 0.00 H new ATOM 0 HD23 LEU A 541 32.401 26.518 39.904 1.00 0.00 H new ATOM 454 N LYS A 542 36.180 26.677 42.433 1.00 0.00 N ATOM 455 CA LYS A 542 37.570 26.624 42.913 1.00 0.00 C ATOM 456 C LYS A 542 38.535 26.950 41.777 1.00 0.00 C ATOM 457 O LYS A 542 38.290 26.554 40.646 1.00 0.00 O ATOM 458 CB LYS A 542 37.820 25.230 43.545 1.00 0.00 C ATOM 459 CG LYS A 542 39.278 24.737 43.627 1.00 0.00 C ATOM 460 CD LYS A 542 40.182 25.524 44.588 1.00 0.00 C ATOM 461 CE LYS A 542 40.287 24.816 45.943 1.00 0.00 C ATOM 462 NZ LYS A 542 41.139 25.567 46.890 1.00 0.00 N ATOM 0 H LYS A 542 35.980 25.927 41.772 1.00 0.00 H new ATOM 0 HA LYS A 542 37.745 27.377 43.682 1.00 0.00 H new ATOM 0 HB2 LYS A 542 37.411 25.241 44.555 1.00 0.00 H new ATOM 0 HB3 LYS A 542 37.248 24.496 42.977 1.00 0.00 H new ATOM 0 HG2 LYS A 542 39.274 23.691 43.932 1.00 0.00 H new ATOM 0 HG3 LYS A 542 39.715 24.776 42.629 1.00 0.00 H new ATOM 0 HD2 LYS A 542 41.175 25.633 44.152 1.00 0.00 H new ATOM 0 HD3 LYS A 542 39.783 26.529 44.728 1.00 0.00 H new ATOM 0 HE2 LYS A 542 39.291 24.695 46.368 1.00 0.00 H new ATOM 0 HE3 LYS A 542 40.696 23.816 45.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 542 41.186 25.057 47.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 542 42.097 25.661 46.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 542 40.735 26.512 47.046 1.00 0.00 H new ATOM 476 N ALA A 543 39.647 27.625 42.073 1.00 0.00 N ATOM 477 CA ALA A 543 40.732 27.861 41.119 1.00 0.00 C ATOM 478 C ALA A 543 41.257 26.526 40.555 1.00 0.00 C ATOM 479 O ALA A 543 41.966 25.792 41.247 1.00 0.00 O ATOM 480 CB ALA A 543 41.837 28.649 41.839 1.00 0.00 C ATOM 0 H ALA A 543 39.822 28.028 42.994 1.00 0.00 H new ATOM 0 HA ALA A 543 40.373 28.441 40.269 1.00 0.00 H new ATOM 0 HB1 ALA A 543 42.659 28.838 41.148 1.00 0.00 H new ATOM 0 HB2 ALA A 543 41.435 29.598 42.193 1.00 0.00 H new ATOM 0 HB3 ALA A 543 42.202 28.071 42.688 1.00 0.00 H new ATOM 486 N GLY A 544 40.878 26.220 39.313 1.00 0.00 N ATOM 487 CA GLY A 544 41.133 24.952 38.624 1.00 0.00 C ATOM 488 C GLY A 544 39.873 24.209 38.159 1.00 0.00 C ATOM 489 O GLY A 544 40.002 23.248 37.399 1.00 0.00 O ATOM 0 H GLY A 544 40.361 26.880 38.732 1.00 0.00 H new ATOM 0 HA2 GLY A 544 41.764 25.146 37.757 1.00 0.00 H new ATOM 0 HA3 GLY A 544 41.698 24.300 39.290 1.00 0.00 H new ATOM 493 N ASP A 545 38.666 24.630 38.557 1.00 0.00 N ATOM 494 CA ASP A 545 37.412 23.969 38.180 1.00 0.00 C ATOM 495 C ASP A 545 37.014 24.129 36.709 1.00 0.00 C ATOM 496 O ASP A 545 36.869 25.256 36.235 1.00 0.00 O ATOM 497 CB ASP A 545 36.246 24.388 39.097 1.00 0.00 C ATOM 498 CG ASP A 545 36.209 23.747 40.485 1.00 0.00 C ATOM 499 OD1 ASP A 545 36.952 22.772 40.762 1.00 0.00 O ATOM 500 OD2 ASP A 545 35.376 24.227 41.290 1.00 0.00 O ATOM 0 H ASP A 545 38.532 25.446 39.155 1.00 0.00 H new ATOM 0 HA ASP A 545 37.619 22.908 38.319 1.00 0.00 H new ATOM 0 HB2 ASP A 545 36.281 25.470 39.221 1.00 0.00 H new ATOM 0 HB3 ASP A 545 35.311 24.156 38.588 1.00 0.00 H new ATOM 505 N VAL A 546 36.785 23.026 35.991 1.00 0.00 N ATOM 506 CA VAL A 546 36.103 23.062 34.688 1.00 0.00 C ATOM 507 C VAL A 546 34.603 23.291 34.845 1.00 0.00 C ATOM 508 O VAL A 546 33.965 22.649 35.685 1.00 0.00 O ATOM 509 CB VAL A 546 36.382 21.837 33.793 1.00 0.00 C ATOM 510 CG1 VAL A 546 36.095 22.155 32.325 1.00 0.00 C ATOM 511 CG2 VAL A 546 37.819 21.323 33.883 1.00 0.00 C ATOM 0 H VAL A 546 37.062 22.091 36.290 1.00 0.00 H new ATOM 0 HA VAL A 546 36.536 23.916 34.166 1.00 0.00 H new ATOM 0 HB VAL A 546 35.715 21.060 34.167 1.00 0.00 H new ATOM 0 HG11 VAL A 546 36.300 21.275 31.715 1.00 0.00 H new ATOM 0 HG12 VAL A 546 35.049 22.439 32.212 1.00 0.00 H new ATOM 0 HG13 VAL A 546 36.732 22.978 32.000 1.00 0.00 H new ATOM 0 HG21 VAL A 546 37.939 20.461 33.226 1.00 0.00 H new ATOM 0 HG22 VAL A 546 38.507 22.111 33.577 1.00 0.00 H new ATOM 0 HG23 VAL A 546 38.037 21.030 34.910 1.00 0.00 H new ATOM 521 N VAL A 547 34.021 24.157 34.018 1.00 0.00 N ATOM 522 CA VAL A 547 32.578 24.441 33.983 1.00 0.00 C ATOM 523 C VAL A 547 32.017 24.324 32.578 1.00 0.00 C ATOM 524 O VAL A 547 32.477 24.996 31.659 1.00 0.00 O ATOM 525 CB VAL A 547 32.154 25.759 34.682 1.00 0.00 C ATOM 526 CG1 VAL A 547 30.739 25.643 35.242 1.00 0.00 C ATOM 527 CG2 VAL A 547 33.096 26.212 35.800 1.00 0.00 C ATOM 0 H VAL A 547 34.549 24.698 33.333 1.00 0.00 H new ATOM 0 HA VAL A 547 32.123 23.660 34.592 1.00 0.00 H new ATOM 0 HB VAL A 547 32.200 26.519 33.902 1.00 0.00 H new ATOM 0 HG11 VAL A 547 30.462 26.579 35.728 1.00 0.00 H new ATOM 0 HG12 VAL A 547 30.042 25.436 34.430 1.00 0.00 H new ATOM 0 HG13 VAL A 547 30.701 24.832 35.969 1.00 0.00 H new ATOM 0 HG21 VAL A 547 32.725 27.140 36.234 1.00 0.00 H new ATOM 0 HG22 VAL A 547 33.141 25.443 36.571 1.00 0.00 H new ATOM 0 HG23 VAL A 547 34.093 26.375 35.392 1.00 0.00 H new ATOM 537 N LEU A 548 31.038 23.443 32.405 1.00 0.00 N ATOM 538 CA LEU A 548 30.314 23.246 31.163 1.00 0.00 C ATOM 539 C LEU A 548 29.284 24.382 31.011 1.00 0.00 C ATOM 540 O LEU A 548 28.235 24.351 31.656 1.00 0.00 O ATOM 541 CB LEU A 548 29.640 21.856 31.181 1.00 0.00 C ATOM 542 CG LEU A 548 30.451 20.621 31.626 1.00 0.00 C ATOM 543 CD1 LEU A 548 29.551 19.408 31.836 1.00 0.00 C ATOM 544 CD2 LEU A 548 31.489 20.215 30.597 1.00 0.00 C ATOM 0 H LEU A 548 30.719 22.828 33.153 1.00 0.00 H new ATOM 0 HA LEU A 548 30.988 23.276 30.307 1.00 0.00 H new ATOM 0 HB2 LEU A 548 28.768 21.925 31.831 1.00 0.00 H new ATOM 0 HB3 LEU A 548 29.272 21.659 30.174 1.00 0.00 H new ATOM 0 HG LEU A 548 30.935 20.916 32.557 1.00 0.00 H new ATOM 0 HD11 LEU A 548 30.155 18.556 32.149 1.00 0.00 H new ATOM 0 HD12 LEU A 548 28.813 19.632 32.606 1.00 0.00 H new ATOM 0 HD13 LEU A 548 29.041 19.168 30.903 1.00 0.00 H new ATOM 0 HD21 LEU A 548 32.034 19.342 30.955 1.00 0.00 H new ATOM 0 HD22 LEU A 548 30.994 19.973 29.657 1.00 0.00 H new ATOM 0 HD23 LEU A 548 32.186 21.038 30.439 1.00 0.00 H new ATOM 556 N VAL A 549 29.585 25.400 30.202 1.00 0.00 N ATOM 557 CA VAL A 549 28.640 26.480 29.847 1.00 0.00 C ATOM 558 C VAL A 549 27.384 25.992 29.110 1.00 0.00 C ATOM 559 O VAL A 549 27.451 25.292 28.093 1.00 0.00 O ATOM 560 CB VAL A 549 29.314 27.614 29.049 1.00 0.00 C ATOM 561 CG1 VAL A 549 28.448 28.873 28.957 1.00 0.00 C ATOM 562 CG2 VAL A 549 30.651 27.994 29.693 1.00 0.00 C ATOM 0 H VAL A 549 30.501 25.506 29.766 1.00 0.00 H new ATOM 0 HA VAL A 549 28.312 26.877 30.808 1.00 0.00 H new ATOM 0 HB VAL A 549 29.463 27.229 28.040 1.00 0.00 H new ATOM 0 HG11 VAL A 549 28.975 29.636 28.384 1.00 0.00 H new ATOM 0 HG12 VAL A 549 27.507 28.632 28.462 1.00 0.00 H new ATOM 0 HG13 VAL A 549 28.244 29.249 29.960 1.00 0.00 H new ATOM 0 HG21 VAL A 549 31.116 28.796 29.120 1.00 0.00 H new ATOM 0 HG22 VAL A 549 30.480 28.331 30.715 1.00 0.00 H new ATOM 0 HG23 VAL A 549 31.310 27.126 29.703 1.00 0.00 H new ATOM 572 N ILE A 550 26.225 26.430 29.601 1.00 0.00 N ATOM 573 CA ILE A 550 24.890 26.148 29.065 1.00 0.00 C ATOM 574 C ILE A 550 24.128 27.472 28.854 1.00 0.00 C ATOM 575 O ILE A 550 24.439 28.484 29.492 1.00 0.00 O ATOM 576 CB ILE A 550 24.109 25.190 30.001 1.00 0.00 C ATOM 577 CG1 ILE A 550 23.726 25.870 31.338 1.00 0.00 C ATOM 578 CG2 ILE A 550 24.883 23.871 30.190 1.00 0.00 C ATOM 579 CD1 ILE A 550 23.157 24.941 32.415 1.00 0.00 C ATOM 0 H ILE A 550 26.188 27.024 30.429 1.00 0.00 H new ATOM 0 HA ILE A 550 24.991 25.647 28.102 1.00 0.00 H new ATOM 0 HB ILE A 550 23.162 24.939 29.523 1.00 0.00 H new ATOM 0 HG12 ILE A 550 24.611 26.364 31.740 1.00 0.00 H new ATOM 0 HG13 ILE A 550 22.992 26.649 31.131 1.00 0.00 H new ATOM 0 HG21 ILE A 550 24.320 23.210 30.850 1.00 0.00 H new ATOM 0 HG22 ILE A 550 25.020 23.387 29.223 1.00 0.00 H new ATOM 0 HG23 ILE A 550 25.857 24.081 30.631 1.00 0.00 H new ATOM 0 HD11 ILE A 550 22.923 25.520 33.308 1.00 0.00 H new ATOM 0 HD12 ILE A 550 22.250 24.465 32.043 1.00 0.00 H new ATOM 0 HD13 ILE A 550 23.893 24.176 32.661 1.00 0.00 H new ATOM 591 N PRO A 551 23.123 27.495 27.965 1.00 0.00 N ATOM 592 CA PRO A 551 22.217 28.627 27.820 1.00 0.00 C ATOM 593 C PRO A 551 21.270 28.750 29.026 1.00 0.00 C ATOM 594 O PRO A 551 20.958 27.769 29.709 1.00 0.00 O ATOM 595 CB PRO A 551 21.474 28.370 26.506 1.00 0.00 C ATOM 596 CG PRO A 551 21.441 26.845 26.405 1.00 0.00 C ATOM 597 CD PRO A 551 22.737 26.410 27.077 1.00 0.00 C ATOM 0 HA PRO A 551 22.745 29.580 27.792 1.00 0.00 H new ATOM 0 HB2 PRO A 551 20.469 28.793 26.524 1.00 0.00 H new ATOM 0 HB3 PRO A 551 21.993 28.817 25.658 1.00 0.00 H new ATOM 0 HG2 PRO A 551 20.569 26.429 26.910 1.00 0.00 H new ATOM 0 HG3 PRO A 551 21.397 26.513 25.368 1.00 0.00 H new ATOM 0 HD2 PRO A 551 22.594 25.484 27.634 1.00 0.00 H new ATOM 0 HD3 PRO A 551 23.514 26.219 26.336 1.00 0.00 H new ATOM 605 N PHE A 552 20.792 29.966 29.284 1.00 0.00 N ATOM 606 CA PHE A 552 19.754 30.241 30.280 1.00 0.00 C ATOM 607 C PHE A 552 18.367 29.638 29.980 1.00 0.00 C ATOM 608 O PHE A 552 18.025 29.420 28.814 1.00 0.00 O ATOM 609 CB PHE A 552 19.684 31.750 30.584 1.00 0.00 C ATOM 610 CG PHE A 552 20.781 32.309 31.476 1.00 0.00 C ATOM 611 CD1 PHE A 552 20.496 32.682 32.804 1.00 0.00 C ATOM 612 CD2 PHE A 552 22.074 32.530 30.962 1.00 0.00 C ATOM 613 CE1 PHE A 552 21.489 33.279 33.603 1.00 0.00 C ATOM 614 CE2 PHE A 552 23.069 33.124 31.759 1.00 0.00 C ATOM 615 CZ PHE A 552 22.775 33.505 33.079 1.00 0.00 C ATOM 0 H PHE A 552 21.119 30.802 28.800 1.00 0.00 H new ATOM 0 HA PHE A 552 20.067 29.710 31.179 1.00 0.00 H new ATOM 0 HB2 PHE A 552 19.704 32.291 29.638 1.00 0.00 H new ATOM 0 HB3 PHE A 552 18.722 31.961 31.052 1.00 0.00 H new ATOM 0 HD1 PHE A 552 19.511 32.509 33.211 1.00 0.00 H new ATOM 0 HD2 PHE A 552 22.303 32.241 29.947 1.00 0.00 H new ATOM 0 HE1 PHE A 552 21.263 33.564 34.620 1.00 0.00 H new ATOM 0 HE2 PHE A 552 24.058 33.287 31.357 1.00 0.00 H new ATOM 0 HZ PHE A 552 23.534 33.970 33.690 1.00 0.00 H new ATOM 700 N GLN A 558 18.978 36.096 32.132 1.00 0.00 N ATOM 701 CA GLN A 558 20.413 36.292 31.908 1.00 0.00 C ATOM 702 C GLN A 558 20.913 37.680 32.355 1.00 0.00 C ATOM 703 O GLN A 558 20.284 38.707 32.078 1.00 0.00 O ATOM 704 CB GLN A 558 20.721 35.966 30.433 1.00 0.00 C ATOM 705 CG GLN A 558 22.191 36.197 30.055 1.00 0.00 C ATOM 706 CD GLN A 558 22.680 35.412 28.836 1.00 0.00 C ATOM 707 OE1 GLN A 558 21.942 34.792 28.077 1.00 0.00 O ATOM 708 NE2 GLN A 558 23.972 35.425 28.614 1.00 0.00 N ATOM 0 HA GLN A 558 20.975 35.607 32.543 1.00 0.00 H new ATOM 0 HB2 GLN A 558 20.461 34.926 30.236 1.00 0.00 H new ATOM 0 HB3 GLN A 558 20.087 36.579 29.792 1.00 0.00 H new ATOM 0 HG2 GLN A 558 22.338 37.260 29.866 1.00 0.00 H new ATOM 0 HG3 GLN A 558 22.815 35.936 30.910 1.00 0.00 H new ATOM 0 HE21 GLN A 558 24.592 35.938 29.241 1.00 0.00 H new ATOM 0 HE22 GLN A 558 24.357 34.922 27.815 1.00 0.00 H new ATOM 717 N ASP A 559 22.073 37.697 33.020 1.00 0.00 N ATOM 718 CA ASP A 559 22.730 38.872 33.607 1.00 0.00 C ATOM 719 C ASP A 559 24.080 39.224 32.947 1.00 0.00 C ATOM 720 O ASP A 559 24.844 38.329 32.585 1.00 0.00 O ATOM 721 CB ASP A 559 22.739 38.752 35.150 1.00 0.00 C ATOM 722 CG ASP A 559 21.360 38.945 35.792 1.00 0.00 C ATOM 723 OD1 ASP A 559 21.180 38.578 36.975 1.00 0.00 O ATOM 724 OD2 ASP A 559 20.413 39.434 35.136 1.00 0.00 O ATOM 0 H ASP A 559 22.610 36.843 33.172 1.00 0.00 H new ATOM 0 HA ASP A 559 22.139 39.758 33.376 1.00 0.00 H new ATOM 0 HB2 ASP A 559 23.125 37.771 35.427 1.00 0.00 H new ATOM 0 HB3 ASP A 559 23.427 39.492 35.559 1.00 0.00 H new ATOM 729 N GLU A 560 24.366 40.503 32.688 1.00 0.00 N ATOM 730 CA GLU A 560 25.511 40.906 31.852 1.00 0.00 C ATOM 731 C GLU A 560 26.861 40.748 32.578 1.00 0.00 C ATOM 732 O GLU A 560 27.005 41.148 33.736 1.00 0.00 O ATOM 733 CB GLU A 560 25.295 42.336 31.332 1.00 0.00 C ATOM 734 CG GLU A 560 26.376 42.830 30.355 1.00 0.00 C ATOM 735 CD GLU A 560 26.349 42.188 28.961 1.00 0.00 C ATOM 736 OE1 GLU A 560 25.473 41.346 28.647 1.00 0.00 O ATOM 737 OE2 GLU A 560 27.185 42.580 28.113 1.00 0.00 O ATOM 0 H GLU A 560 23.819 41.286 33.046 1.00 0.00 H new ATOM 0 HA GLU A 560 25.561 40.230 30.999 1.00 0.00 H new ATOM 0 HB2 GLU A 560 24.325 42.386 30.837 1.00 0.00 H new ATOM 0 HB3 GLU A 560 25.254 43.016 32.183 1.00 0.00 H new ATOM 0 HG2 GLU A 560 26.273 43.909 30.241 1.00 0.00 H new ATOM 0 HG3 GLU A 560 27.354 42.649 30.801 1.00 0.00 H new ATOM 744 N GLY A 561 27.851 40.164 31.895 1.00 0.00 N ATOM 745 CA GLY A 561 29.164 39.796 32.445 1.00 0.00 C ATOM 746 C GLY A 561 29.192 38.434 33.154 1.00 0.00 C ATOM 747 O GLY A 561 30.263 37.938 33.502 1.00 0.00 O ATOM 0 H GLY A 561 27.759 39.925 30.908 1.00 0.00 H new ATOM 0 HA2 GLY A 561 29.894 39.787 31.636 1.00 0.00 H new ATOM 0 HA3 GLY A 561 29.479 40.566 33.149 1.00 0.00 H new ATOM 751 N TRP A 562 28.025 37.814 33.346 1.00 0.00 N ATOM 752 CA TRP A 562 27.860 36.479 33.915 1.00 0.00 C ATOM 753 C TRP A 562 27.816 35.383 32.845 1.00 0.00 C ATOM 754 O TRP A 562 27.529 35.644 31.673 1.00 0.00 O ATOM 755 CB TRP A 562 26.609 36.472 34.809 1.00 0.00 C ATOM 756 CG TRP A 562 26.738 37.295 36.048 1.00 0.00 C ATOM 757 CD1 TRP A 562 26.703 38.645 36.100 1.00 0.00 C ATOM 758 CD2 TRP A 562 27.199 36.868 37.358 1.00 0.00 C ATOM 759 NE1 TRP A 562 27.099 39.069 37.352 1.00 0.00 N ATOM 760 CE2 TRP A 562 27.452 38.015 38.159 1.00 0.00 C ATOM 761 CE3 TRP A 562 27.406 35.614 37.955 1.00 0.00 C ATOM 762 CZ2 TRP A 562 27.925 37.924 39.473 1.00 0.00 C ATOM 763 CZ3 TRP A 562 27.850 35.507 39.282 1.00 0.00 C ATOM 764 CH2 TRP A 562 28.112 36.658 40.044 1.00 0.00 C ATOM 0 H TRP A 562 27.135 38.248 33.099 1.00 0.00 H new ATOM 0 HA TRP A 562 28.735 36.246 34.522 1.00 0.00 H new ATOM 0 HB2 TRP A 562 25.761 36.837 34.230 1.00 0.00 H new ATOM 0 HB3 TRP A 562 26.383 35.444 35.091 1.00 0.00 H new ATOM 0 HD1 TRP A 562 26.410 39.292 35.287 1.00 0.00 H new ATOM 0 HE1 TRP A 562 27.126 40.046 37.643 1.00 0.00 H new ATOM 0 HE3 TRP A 562 27.220 34.717 37.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 562 28.143 38.817 40.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 562 27.992 34.531 39.722 1.00 0.00 H new ATOM 0 HH2 TRP A 562 28.456 36.568 41.064 1.00 0.00 H new ATOM 775 N LEU A 563 28.051 34.140 33.255 1.00 0.00 N ATOM 776 CA LEU A 563 27.779 32.935 32.469 1.00 0.00 C ATOM 777 C LEU A 563 27.052 31.908 33.339 1.00 0.00 C ATOM 778 O LEU A 563 27.219 31.898 34.556 1.00 0.00 O ATOM 779 CB LEU A 563 29.092 32.354 31.912 1.00 0.00 C ATOM 780 CG LEU A 563 29.575 32.965 30.585 1.00 0.00 C ATOM 781 CD1 LEU A 563 30.847 32.235 30.148 1.00 0.00 C ATOM 782 CD2 LEU A 563 28.562 32.844 29.441 1.00 0.00 C ATOM 0 H LEU A 563 28.448 33.934 34.172 1.00 0.00 H new ATOM 0 HA LEU A 563 27.140 33.191 31.624 1.00 0.00 H new ATOM 0 HB2 LEU A 563 29.874 32.487 32.659 1.00 0.00 H new ATOM 0 HB3 LEU A 563 28.964 31.281 31.773 1.00 0.00 H new ATOM 0 HG LEU A 563 29.735 34.027 30.774 1.00 0.00 H new ATOM 0 HD11 LEU A 563 31.203 32.656 29.208 1.00 0.00 H new ATOM 0 HD12 LEU A 563 31.615 32.353 30.913 1.00 0.00 H new ATOM 0 HD13 LEU A 563 30.630 31.176 30.012 1.00 0.00 H new ATOM 0 HD21 LEU A 563 28.975 33.297 28.540 1.00 0.00 H new ATOM 0 HD22 LEU A 563 28.349 31.792 29.253 1.00 0.00 H new ATOM 0 HD23 LEU A 563 27.640 33.357 29.715 1.00 0.00 H new ATOM 794 N MET A 564 26.248 31.049 32.714 1.00 0.00 N ATOM 795 CA MET A 564 25.610 29.896 33.353 1.00 0.00 C ATOM 796 C MET A 564 26.283 28.599 32.905 1.00 0.00 C ATOM 797 O MET A 564 26.590 28.411 31.730 1.00 0.00 O ATOM 798 CB MET A 564 24.105 29.897 33.034 1.00 0.00 C ATOM 799 CG MET A 564 23.336 28.707 33.626 1.00 0.00 C ATOM 800 SD MET A 564 22.839 28.808 35.360 1.00 0.00 S ATOM 801 CE MET A 564 21.555 30.071 35.256 1.00 0.00 C ATOM 0 H MET A 564 26.016 31.137 31.725 1.00 0.00 H new ATOM 0 HA MET A 564 25.728 29.966 34.434 1.00 0.00 H new ATOM 0 HB2 MET A 564 23.666 30.822 33.409 1.00 0.00 H new ATOM 0 HB3 MET A 564 23.974 29.898 31.952 1.00 0.00 H new ATOM 0 HG2 MET A 564 22.437 28.557 33.028 1.00 0.00 H new ATOM 0 HG3 MET A 564 23.952 27.816 33.505 1.00 0.00 H new ATOM 0 HE1 MET A 564 21.142 30.253 36.248 1.00 0.00 H new ATOM 0 HE2 MET A 564 21.984 30.994 34.867 1.00 0.00 H new ATOM 0 HE3 MET A 564 20.762 29.730 34.590 1.00 0.00 H new ATOM 811 N GLY A 565 26.459 27.667 33.835 1.00 0.00 N ATOM 812 CA GLY A 565 26.973 26.334 33.559 1.00 0.00 C ATOM 813 C GLY A 565 26.752 25.352 34.702 1.00 0.00 C ATOM 814 O GLY A 565 26.097 25.647 35.704 1.00 0.00 O ATOM 0 H GLY A 565 26.244 27.822 34.820 1.00 0.00 H new ATOM 0 HA2 GLY A 565 26.494 25.947 32.660 1.00 0.00 H new ATOM 0 HA3 GLY A 565 28.040 26.401 33.348 1.00 0.00 H new ATOM 818 N VAL A 566 27.343 24.173 34.541 1.00 0.00 N ATOM 819 CA VAL A 566 27.473 23.140 35.574 1.00 0.00 C ATOM 820 C VAL A 566 28.929 22.684 35.634 1.00 0.00 C ATOM 821 O VAL A 566 29.574 22.537 34.594 1.00 0.00 O ATOM 822 CB VAL A 566 26.466 21.997 35.326 1.00 0.00 C ATOM 823 CG1 VAL A 566 26.763 21.232 34.032 1.00 0.00 C ATOM 824 CG2 VAL A 566 26.416 20.987 36.478 1.00 0.00 C ATOM 0 H VAL A 566 27.763 23.895 33.654 1.00 0.00 H new ATOM 0 HA VAL A 566 27.220 23.539 36.557 1.00 0.00 H new ATOM 0 HB VAL A 566 25.499 22.493 35.246 1.00 0.00 H new ATOM 0 HG11 VAL A 566 26.028 20.438 33.902 1.00 0.00 H new ATOM 0 HG12 VAL A 566 26.712 21.916 33.185 1.00 0.00 H new ATOM 0 HG13 VAL A 566 27.761 20.797 34.088 1.00 0.00 H new ATOM 0 HG21 VAL A 566 25.691 20.207 36.247 1.00 0.00 H new ATOM 0 HG22 VAL A 566 27.401 20.539 36.612 1.00 0.00 H new ATOM 0 HG23 VAL A 566 26.121 21.496 37.396 1.00 0.00 H new ATOM 834 N LYS A 567 29.485 22.490 36.829 1.00 0.00 N ATOM 835 CA LYS A 567 30.841 21.962 36.999 1.00 0.00 C ATOM 836 C LYS A 567 30.989 20.609 36.310 1.00 0.00 C ATOM 837 O LYS A 567 30.133 19.739 36.471 1.00 0.00 O ATOM 838 CB LYS A 567 31.180 21.889 38.495 1.00 0.00 C ATOM 839 CG LYS A 567 31.798 23.211 38.975 1.00 0.00 C ATOM 840 CD LYS A 567 32.426 23.082 40.364 1.00 0.00 C ATOM 841 CE LYS A 567 31.412 22.742 41.462 1.00 0.00 C ATOM 842 NZ LYS A 567 32.099 22.237 42.672 1.00 0.00 N ATOM 0 H LYS A 567 29.009 22.694 37.708 1.00 0.00 H new ATOM 0 HA LYS A 567 31.554 22.635 36.522 1.00 0.00 H new ATOM 0 HB2 LYS A 567 30.278 21.674 39.068 1.00 0.00 H new ATOM 0 HB3 LYS A 567 31.875 21.069 38.676 1.00 0.00 H new ATOM 0 HG2 LYS A 567 32.557 23.535 38.263 1.00 0.00 H new ATOM 0 HG3 LYS A 567 31.029 23.984 38.995 1.00 0.00 H new ATOM 0 HD2 LYS A 567 33.194 22.309 40.337 1.00 0.00 H new ATOM 0 HD3 LYS A 567 32.925 24.018 40.617 1.00 0.00 H new ATOM 0 HE2 LYS A 567 30.829 23.628 41.712 1.00 0.00 H new ATOM 0 HE3 LYS A 567 30.711 21.992 41.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 31.394 22.013 43.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 32.636 21.379 42.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 32.750 22.964 43.030 1.00 0.00 H new ATOM 856 N GLU A 568 32.073 20.407 35.562 1.00 0.00 N ATOM 857 CA GLU A 568 32.302 19.114 34.914 1.00 0.00 C ATOM 858 C GLU A 568 32.430 17.992 35.953 1.00 0.00 C ATOM 859 O GLU A 568 31.841 16.937 35.762 1.00 0.00 O ATOM 860 CB GLU A 568 33.504 19.139 33.956 1.00 0.00 C ATOM 861 CG GLU A 568 33.626 17.789 33.221 1.00 0.00 C ATOM 862 CD GLU A 568 34.313 17.855 31.853 1.00 0.00 C ATOM 863 OE1 GLU A 568 34.007 16.997 30.990 1.00 0.00 O ATOM 864 OE2 GLU A 568 35.173 18.734 31.622 1.00 0.00 O ATOM 0 H GLU A 568 32.795 21.107 35.391 1.00 0.00 H new ATOM 0 HA GLU A 568 31.426 18.906 34.300 1.00 0.00 H new ATOM 0 HB2 GLU A 568 33.385 19.946 33.233 1.00 0.00 H new ATOM 0 HB3 GLU A 568 34.419 19.342 34.513 1.00 0.00 H new ATOM 0 HG2 GLU A 568 34.179 17.096 33.855 1.00 0.00 H new ATOM 0 HG3 GLU A 568 32.627 17.373 33.089 1.00 0.00 H new ATOM 871 N SER A 569 33.082 18.227 37.098 1.00 0.00 N ATOM 872 CA SER A 569 33.160 17.233 38.176 1.00 0.00 C ATOM 873 C SER A 569 31.786 16.952 38.810 1.00 0.00 C ATOM 874 O SER A 569 31.495 15.804 39.144 1.00 0.00 O ATOM 875 CB SER A 569 34.173 17.683 39.234 1.00 0.00 C ATOM 876 OG SER A 569 34.447 16.613 40.123 1.00 0.00 O ATOM 0 H SER A 569 33.566 19.101 37.303 1.00 0.00 H new ATOM 0 HA SER A 569 33.499 16.295 37.737 1.00 0.00 H new ATOM 0 HB2 SER A 569 35.094 18.012 38.752 1.00 0.00 H new ATOM 0 HB3 SER A 569 33.780 18.536 39.787 1.00 0.00 H new ATOM 0 HG SER A 569 35.096 16.905 40.796 1.00 0.00 H new ATOM 882 N ASP A 570 30.899 17.950 38.928 1.00 0.00 N ATOM 883 CA ASP A 570 29.486 17.731 39.290 1.00 0.00 C ATOM 884 C ASP A 570 28.724 16.816 38.315 1.00 0.00 C ATOM 885 O ASP A 570 28.103 15.821 38.703 1.00 0.00 O ATOM 886 CB ASP A 570 28.735 19.071 39.480 1.00 0.00 C ATOM 887 CG ASP A 570 28.702 19.682 40.887 1.00 0.00 C ATOM 888 OD1 ASP A 570 28.355 20.883 40.987 1.00 0.00 O ATOM 889 OD2 ASP A 570 28.899 18.986 41.908 1.00 0.00 O ATOM 0 H ASP A 570 31.137 18.930 38.776 1.00 0.00 H new ATOM 0 HA ASP A 570 29.514 17.202 40.243 1.00 0.00 H new ATOM 0 HB2 ASP A 570 29.182 19.803 38.808 1.00 0.00 H new ATOM 0 HB3 ASP A 570 27.705 18.926 39.154 1.00 0.00 H new ATOM 894 N TRP A 571 28.819 17.144 37.024 1.00 0.00 N ATOM 895 CA TRP A 571 28.167 16.445 35.915 1.00 0.00 C ATOM 896 C TRP A 571 28.754 15.044 35.648 1.00 0.00 C ATOM 897 O TRP A 571 28.020 14.112 35.318 1.00 0.00 O ATOM 898 CB TRP A 571 28.218 17.392 34.705 1.00 0.00 C ATOM 899 CG TRP A 571 27.664 16.899 33.402 1.00 0.00 C ATOM 900 CD1 TRP A 571 28.369 16.303 32.413 1.00 0.00 C ATOM 901 CD2 TRP A 571 26.262 16.783 33.009 1.00 0.00 C ATOM 902 NE1 TRP A 571 27.516 15.891 31.409 1.00 0.00 N ATOM 903 CE2 TRP A 571 26.201 16.151 31.730 1.00 0.00 C ATOM 904 CE3 TRP A 571 25.038 17.170 33.599 1.00 0.00 C ATOM 905 CZ2 TRP A 571 24.984 15.894 31.084 1.00 0.00 C ATOM 906 CZ3 TRP A 571 23.812 16.931 32.950 1.00 0.00 C ATOM 907 CH2 TRP A 571 23.782 16.283 31.703 1.00 0.00 C ATOM 0 H TRP A 571 29.377 17.938 36.710 1.00 0.00 H new ATOM 0 HA TRP A 571 27.129 16.221 36.160 1.00 0.00 H new ATOM 0 HB2 TRP A 571 27.683 18.304 34.972 1.00 0.00 H new ATOM 0 HB3 TRP A 571 29.259 17.669 34.542 1.00 0.00 H new ATOM 0 HD1 TRP A 571 29.441 16.169 32.410 1.00 0.00 H new ATOM 0 HE1 TRP A 571 27.820 15.451 30.541 1.00 0.00 H new ATOM 0 HE3 TRP A 571 25.043 17.657 34.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 571 24.969 15.403 30.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 571 22.889 17.247 33.413 1.00 0.00 H new ATOM 0 HH2 TRP A 571 22.837 16.084 31.220 1.00 0.00 H new ATOM 918 N ASN A 572 30.054 14.844 35.877 1.00 0.00 N ATOM 919 CA ASN A 572 30.740 13.550 35.796 1.00 0.00 C ATOM 920 C ASN A 572 30.509 12.678 37.045 1.00 0.00 C ATOM 921 O ASN A 572 30.699 11.466 36.973 1.00 0.00 O ATOM 922 CB ASN A 572 32.240 13.803 35.554 1.00 0.00 C ATOM 923 CG ASN A 572 32.951 12.707 34.780 1.00 0.00 C ATOM 924 OD1 ASN A 572 32.434 11.629 34.501 1.00 0.00 O ATOM 925 ND2 ASN A 572 34.172 12.978 34.392 1.00 0.00 N ATOM 0 H ASN A 572 30.682 15.606 36.133 1.00 0.00 H new ATOM 0 HA ASN A 572 30.321 12.985 34.963 1.00 0.00 H new ATOM 0 HB2 ASN A 572 32.354 14.743 35.014 1.00 0.00 H new ATOM 0 HB3 ASN A 572 32.734 13.928 36.518 1.00 0.00 H new ATOM 0 HD21 ASN A 572 34.700 12.291 33.854 1.00 0.00 H new ATOM 0 HD22 ASN A 572 34.595 13.876 34.628 1.00 0.00 H new ATOM 932 N GLN A 573 30.078 13.252 38.175 1.00 0.00 N ATOM 933 CA GLN A 573 29.496 12.507 39.303 1.00 0.00 C ATOM 934 C GLN A 573 27.961 12.345 39.209 1.00 0.00 C ATOM 935 O GLN A 573 27.342 11.803 40.124 1.00 0.00 O ATOM 936 CB GLN A 573 29.938 13.119 40.643 1.00 0.00 C ATOM 937 CG GLN A 573 31.441 12.961 40.947 1.00 0.00 C ATOM 938 CD GLN A 573 31.989 11.534 40.991 1.00 0.00 C ATOM 939 OE1 GLN A 573 33.176 11.300 40.809 1.00 0.00 O ATOM 940 NE2 GLN A 573 31.208 10.535 41.332 1.00 0.00 N ATOM 0 H GLN A 573 30.123 14.258 38.336 1.00 0.00 H new ATOM 0 HA GLN A 573 29.889 11.492 39.247 1.00 0.00 H new ATOM 0 HB2 GLN A 573 29.688 14.180 40.644 1.00 0.00 H new ATOM 0 HB3 GLN A 573 29.366 12.656 41.447 1.00 0.00 H new ATOM 0 HG2 GLN A 573 32.000 13.517 40.194 1.00 0.00 H new ATOM 0 HG3 GLN A 573 31.645 13.433 41.908 1.00 0.00 H new ATOM 0 HE21 GLN A 573 30.214 10.696 41.491 1.00 0.00 H new ATOM 0 HE22 GLN A 573 31.596 9.598 41.438 1.00 0.00 H new ATOM 949 N HIS A 574 27.352 12.783 38.101 1.00 0.00 N ATOM 950 CA HIS A 574 25.935 12.580 37.743 1.00 0.00 C ATOM 951 C HIS A 574 24.924 13.209 38.731 1.00 0.00 C ATOM 952 O HIS A 574 23.776 12.768 38.849 1.00 0.00 O ATOM 953 CB HIS A 574 25.675 11.097 37.416 1.00 0.00 C ATOM 954 CG HIS A 574 26.505 10.576 36.265 1.00 0.00 C ATOM 955 ND1 HIS A 574 26.129 10.551 34.943 1.00 0.00 N ATOM 956 CD2 HIS A 574 27.762 10.034 36.335 1.00 0.00 C ATOM 957 CE1 HIS A 574 27.134 10.016 34.230 1.00 0.00 C ATOM 958 NE2 HIS A 574 28.155 9.672 35.037 1.00 0.00 N ATOM 0 H HIS A 574 27.855 13.316 37.392 1.00 0.00 H new ATOM 0 HA HIS A 574 25.747 13.149 36.833 1.00 0.00 H new ATOM 0 HB2 HIS A 574 25.881 10.497 38.302 1.00 0.00 H new ATOM 0 HB3 HIS A 574 24.619 10.965 37.180 1.00 0.00 H new ATOM 0 HD2 HIS A 574 28.348 9.907 37.233 1.00 0.00 H new ATOM 0 HE1 HIS A 574 27.124 9.881 33.159 1.00 0.00 H new ATOM 0 HE2 HIS A 574 29.035 9.237 34.761 1.00 0.00 H new ATOM 966 N LYS A 575 25.353 14.259 39.442 1.00 0.00 N ATOM 967 CA LYS A 575 24.540 15.037 40.391 1.00 0.00 C ATOM 968 C LYS A 575 23.445 15.839 39.669 1.00 0.00 C ATOM 969 O LYS A 575 23.571 16.120 38.475 1.00 0.00 O ATOM 970 CB LYS A 575 25.481 15.924 41.226 1.00 0.00 C ATOM 971 CG LYS A 575 26.451 15.100 42.099 1.00 0.00 C ATOM 972 CD LYS A 575 27.689 15.918 42.479 1.00 0.00 C ATOM 973 CE LYS A 575 28.584 15.137 43.446 1.00 0.00 C ATOM 974 NZ LYS A 575 29.753 15.936 43.890 1.00 0.00 N ATOM 0 H LYS A 575 26.310 14.604 39.371 1.00 0.00 H new ATOM 0 HA LYS A 575 24.008 14.366 41.065 1.00 0.00 H new ATOM 0 HB2 LYS A 575 26.055 16.567 40.559 1.00 0.00 H new ATOM 0 HB3 LYS A 575 24.887 16.577 41.866 1.00 0.00 H new ATOM 0 HG2 LYS A 575 25.939 14.770 43.003 1.00 0.00 H new ATOM 0 HG3 LYS A 575 26.756 14.203 41.560 1.00 0.00 H new ATOM 0 HD2 LYS A 575 28.252 16.172 41.581 1.00 0.00 H new ATOM 0 HD3 LYS A 575 27.382 16.857 42.939 1.00 0.00 H new ATOM 0 HE2 LYS A 575 28.001 14.834 44.315 1.00 0.00 H new ATOM 0 HE3 LYS A 575 28.931 14.224 42.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 575 30.332 15.370 44.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 575 30.325 16.204 43.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 575 29.423 16.794 44.375 1.00 0.00 H new ATOM 988 N GLU A 576 22.353 16.175 40.359 1.00 0.00 N ATOM 989 CA GLU A 576 21.143 16.733 39.730 1.00 0.00 C ATOM 990 C GLU A 576 21.348 18.113 39.074 1.00 0.00 C ATOM 991 O GLU A 576 21.405 19.137 39.753 1.00 0.00 O ATOM 992 CB GLU A 576 19.923 16.704 40.670 1.00 0.00 C ATOM 993 CG GLU A 576 20.045 17.443 42.007 1.00 0.00 C ATOM 994 CD GLU A 576 20.896 16.763 43.084 1.00 0.00 C ATOM 995 OE1 GLU A 576 21.243 17.457 44.072 1.00 0.00 O ATOM 996 OE2 GLU A 576 21.232 15.560 42.966 1.00 0.00 O ATOM 0 H GLU A 576 22.278 16.070 41.371 1.00 0.00 H new ATOM 0 HA GLU A 576 20.923 16.059 38.902 1.00 0.00 H new ATOM 0 HB2 GLU A 576 19.072 17.121 40.131 1.00 0.00 H new ATOM 0 HB3 GLU A 576 19.686 15.661 40.882 1.00 0.00 H new ATOM 0 HG2 GLU A 576 20.463 18.431 41.815 1.00 0.00 H new ATOM 0 HG3 GLU A 576 19.042 17.593 42.408 1.00 0.00 H new ATOM 1003 N LEU A 577 21.418 18.162 37.737 1.00 0.00 N ATOM 1004 CA LEU A 577 21.736 19.373 36.967 1.00 0.00 C ATOM 1005 C LEU A 577 20.857 20.583 37.344 1.00 0.00 C ATOM 1006 O LEU A 577 21.371 21.677 37.557 1.00 0.00 O ATOM 1007 CB LEU A 577 21.617 19.019 35.469 1.00 0.00 C ATOM 1008 CG LEU A 577 21.736 20.204 34.496 1.00 0.00 C ATOM 1009 CD1 LEU A 577 23.108 20.869 34.572 1.00 0.00 C ATOM 1010 CD2 LEU A 577 21.504 19.791 33.049 1.00 0.00 C ATOM 0 H LEU A 577 21.252 17.346 37.149 1.00 0.00 H new ATOM 0 HA LEU A 577 22.752 19.689 37.205 1.00 0.00 H new ATOM 0 HB2 LEU A 577 22.390 18.291 35.223 1.00 0.00 H new ATOM 0 HB3 LEU A 577 20.656 18.531 35.304 1.00 0.00 H new ATOM 0 HG LEU A 577 20.962 20.906 34.806 1.00 0.00 H new ATOM 0 HD11 LEU A 577 23.149 21.701 33.869 1.00 0.00 H new ATOM 0 HD12 LEU A 577 23.277 21.240 35.583 1.00 0.00 H new ATOM 0 HD13 LEU A 577 23.879 20.142 34.319 1.00 0.00 H new ATOM 0 HD21 LEU A 577 21.599 20.663 32.402 1.00 0.00 H new ATOM 0 HD22 LEU A 577 22.243 19.043 32.761 1.00 0.00 H new ATOM 0 HD23 LEU A 577 20.504 19.370 32.947 1.00 0.00 H new ATOM 1022 N GLU A 578 19.545 20.378 37.477 1.00 0.00 N ATOM 1023 CA GLU A 578 18.552 21.442 37.711 1.00 0.00 C ATOM 1024 C GLU A 578 18.687 22.149 39.077 1.00 0.00 C ATOM 1025 O GLU A 578 18.225 23.285 39.217 1.00 0.00 O ATOM 1026 CB GLU A 578 17.132 20.864 37.537 1.00 0.00 C ATOM 1027 CG GLU A 578 16.881 20.338 36.110 1.00 0.00 C ATOM 1028 CD GLU A 578 15.498 19.699 35.903 1.00 0.00 C ATOM 1029 OE1 GLU A 578 14.681 19.606 36.851 1.00 0.00 O ATOM 1030 OE2 GLU A 578 15.216 19.236 34.772 1.00 0.00 O ATOM 0 H GLU A 578 19.128 19.448 37.425 1.00 0.00 H new ATOM 0 HA GLU A 578 18.745 22.216 36.968 1.00 0.00 H new ATOM 0 HB2 GLU A 578 16.983 20.054 38.251 1.00 0.00 H new ATOM 0 HB3 GLU A 578 16.398 21.635 37.771 1.00 0.00 H new ATOM 0 HG2 GLU A 578 16.996 21.163 35.406 1.00 0.00 H new ATOM 0 HG3 GLU A 578 17.648 19.602 35.867 1.00 0.00 H new ATOM 1037 N LYS A 579 19.359 21.536 40.067 1.00 0.00 N ATOM 1038 CA LYS A 579 19.831 22.243 41.280 1.00 0.00 C ATOM 1039 C LYS A 579 21.321 22.592 41.204 1.00 0.00 C ATOM 1040 O LYS A 579 21.710 23.682 41.618 1.00 0.00 O ATOM 1041 CB LYS A 579 19.546 21.438 42.566 1.00 0.00 C ATOM 1042 CG LYS A 579 18.088 21.005 42.801 1.00 0.00 C ATOM 1043 CD LYS A 579 17.039 22.131 42.759 1.00 0.00 C ATOM 1044 CE LYS A 579 17.246 23.283 43.756 1.00 0.00 C ATOM 1045 NZ LYS A 579 17.113 22.867 45.175 1.00 0.00 N ATOM 0 H LYS A 579 19.591 20.543 40.054 1.00 0.00 H new ATOM 0 HA LYS A 579 19.265 23.173 41.323 1.00 0.00 H new ATOM 0 HB2 LYS A 579 20.169 20.544 42.553 1.00 0.00 H new ATOM 0 HB3 LYS A 579 19.865 22.036 43.420 1.00 0.00 H new ATOM 0 HG2 LYS A 579 17.824 20.261 42.050 1.00 0.00 H new ATOM 0 HG3 LYS A 579 18.027 20.513 43.772 1.00 0.00 H new ATOM 0 HD2 LYS A 579 17.022 22.547 41.752 1.00 0.00 H new ATOM 0 HD3 LYS A 579 16.057 21.693 42.939 1.00 0.00 H new ATOM 0 HE2 LYS A 579 18.236 23.713 43.603 1.00 0.00 H new ATOM 0 HE3 LYS A 579 16.521 24.070 43.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 579 17.264 23.689 45.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 579 16.160 22.483 45.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 579 17.822 22.137 45.391 1.00 0.00 H new ATOM 1059 N CYS A 580 22.159 21.686 40.697 1.00 0.00 N ATOM 1060 CA CYS A 580 23.621 21.783 40.755 1.00 0.00 C ATOM 1061 C CYS A 580 24.237 22.856 39.843 1.00 0.00 C ATOM 1062 O CYS A 580 25.351 23.304 40.131 1.00 0.00 O ATOM 1063 CB CYS A 580 24.238 20.411 40.447 1.00 0.00 C ATOM 1064 SG CYS A 580 23.826 19.246 41.773 1.00 0.00 S ATOM 0 H CYS A 580 21.833 20.844 40.223 1.00 0.00 H new ATOM 0 HA CYS A 580 23.858 22.102 41.770 1.00 0.00 H new ATOM 0 HB2 CYS A 580 23.864 20.039 39.493 1.00 0.00 H new ATOM 0 HB3 CYS A 580 25.320 20.501 40.352 1.00 0.00 H new ATOM 0 HG CYS A 580 22.670 18.702 41.530 1.00 0.00 H new ATOM 1070 N ARG A 581 23.541 23.259 38.768 1.00 0.00 N ATOM 1071 CA ARG A 581 23.910 24.388 37.893 1.00 0.00 C ATOM 1072 C ARG A 581 23.920 25.723 38.641 1.00 0.00 C ATOM 1073 O ARG A 581 23.380 25.849 39.746 1.00 0.00 O ATOM 1074 CB ARG A 581 22.964 24.444 36.670 1.00 0.00 C ATOM 1075 CG ARG A 581 21.526 24.889 37.005 1.00 0.00 C ATOM 1076 CD ARG A 581 20.570 24.695 35.820 1.00 0.00 C ATOM 1077 NE ARG A 581 19.214 25.142 36.171 1.00 0.00 N ATOM 1078 CZ ARG A 581 18.104 25.046 35.468 1.00 0.00 C ATOM 1079 NH1 ARG A 581 18.019 24.496 34.295 1.00 0.00 N ATOM 1080 NH2 ARG A 581 16.999 25.521 35.945 1.00 0.00 N ATOM 0 H ARG A 581 22.681 22.796 38.473 1.00 0.00 H new ATOM 0 HA ARG A 581 24.929 24.217 37.546 1.00 0.00 H new ATOM 0 HB2 ARG A 581 23.382 25.129 35.932 1.00 0.00 H new ATOM 0 HB3 ARG A 581 22.929 23.458 36.206 1.00 0.00 H new ATOM 0 HG2 ARG A 581 21.161 24.321 37.861 1.00 0.00 H new ATOM 0 HG3 ARG A 581 21.531 25.939 37.298 1.00 0.00 H new ATOM 0 HD2 ARG A 581 20.932 25.256 34.958 1.00 0.00 H new ATOM 0 HD3 ARG A 581 20.549 23.644 35.531 1.00 0.00 H new ATOM 0 HE ARG A 581 19.120 25.587 37.084 1.00 0.00 H new ATOM 0 HH11 ARG A 581 18.850 24.100 33.856 1.00 0.00 H new ATOM 0 HH12 ARG A 581 17.121 24.460 33.812 1.00 0.00 H new ATOM 0 HH21 ARG A 581 16.990 25.968 36.862 1.00 0.00 H new ATOM 0 HH22 ARG A 581 16.137 25.449 35.404 1.00 0.00 H new ATOM 1094 N GLY A 582 24.511 26.730 38.015 1.00 0.00 N ATOM 1095 CA GLY A 582 24.474 28.100 38.509 1.00 0.00 C ATOM 1096 C GLY A 582 25.151 29.124 37.609 1.00 0.00 C ATOM 1097 O GLY A 582 25.876 28.774 36.672 1.00 0.00 O ATOM 0 H GLY A 582 25.033 26.620 37.145 1.00 0.00 H new ATOM 0 HA2 GLY A 582 23.433 28.392 38.649 1.00 0.00 H new ATOM 0 HA3 GLY A 582 24.948 28.130 39.490 1.00 0.00 H new ATOM 1101 N VAL A 583 24.934 30.398 37.937 1.00 0.00 N ATOM 1102 CA VAL A 583 25.638 31.527 37.328 1.00 0.00 C ATOM 1103 C VAL A 583 26.957 31.798 38.048 1.00 0.00 C ATOM 1104 O VAL A 583 27.052 31.667 39.267 1.00 0.00 O ATOM 1105 CB VAL A 583 24.799 32.824 37.258 1.00 0.00 C ATOM 1106 CG1 VAL A 583 23.515 32.648 36.456 1.00 0.00 C ATOM 1107 CG2 VAL A 583 24.408 33.404 38.622 1.00 0.00 C ATOM 0 H VAL A 583 24.254 30.679 38.644 1.00 0.00 H new ATOM 0 HA VAL A 583 25.833 31.228 36.298 1.00 0.00 H new ATOM 0 HB VAL A 583 25.472 33.523 36.762 1.00 0.00 H new ATOM 0 HG11 VAL A 583 22.965 33.589 36.439 1.00 0.00 H new ATOM 0 HG12 VAL A 583 23.761 32.353 35.436 1.00 0.00 H new ATOM 0 HG13 VAL A 583 22.900 31.876 36.919 1.00 0.00 H new ATOM 0 HG21 VAL A 583 23.822 34.312 38.477 1.00 0.00 H new ATOM 0 HG22 VAL A 583 23.815 32.673 39.172 1.00 0.00 H new ATOM 0 HG23 VAL A 583 25.309 33.640 39.189 1.00 0.00 H new ATOM 1117 N PHE A 584 27.958 32.226 37.293 1.00 0.00 N ATOM 1118 CA PHE A 584 29.271 32.648 37.784 1.00 0.00 C ATOM 1119 C PHE A 584 29.836 33.843 36.985 1.00 0.00 C ATOM 1120 O PHE A 584 29.455 34.031 35.823 1.00 0.00 O ATOM 1121 CB PHE A 584 30.233 31.454 37.789 1.00 0.00 C ATOM 1122 CG PHE A 584 30.410 30.801 36.435 1.00 0.00 C ATOM 1123 CD1 PHE A 584 29.516 29.802 36.010 1.00 0.00 C ATOM 1124 CD2 PHE A 584 31.449 31.221 35.584 1.00 0.00 C ATOM 1125 CE1 PHE A 584 29.676 29.204 34.749 1.00 0.00 C ATOM 1126 CE2 PHE A 584 31.596 30.636 34.316 1.00 0.00 C ATOM 1127 CZ PHE A 584 30.720 29.615 33.908 1.00 0.00 C ATOM 0 H PHE A 584 27.879 32.293 36.278 1.00 0.00 H new ATOM 0 HA PHE A 584 29.155 33.002 38.808 1.00 0.00 H new ATOM 0 HB2 PHE A 584 31.206 31.786 38.151 1.00 0.00 H new ATOM 0 HB3 PHE A 584 29.867 30.709 38.495 1.00 0.00 H new ATOM 0 HD1 PHE A 584 28.705 29.494 36.654 1.00 0.00 H new ATOM 0 HD2 PHE A 584 32.133 31.993 35.906 1.00 0.00 H new ATOM 0 HE1 PHE A 584 28.996 28.429 34.428 1.00 0.00 H new ATOM 0 HE2 PHE A 584 32.382 30.970 33.655 1.00 0.00 H new ATOM 0 HZ PHE A 584 30.851 29.146 32.944 1.00 0.00 H new ATOM 1137 N PRO A 585 30.732 34.664 37.567 1.00 0.00 N ATOM 1138 CA PRO A 585 31.445 35.701 36.820 1.00 0.00 C ATOM 1139 C PRO A 585 32.419 35.049 35.832 1.00 0.00 C ATOM 1140 O PRO A 585 33.394 34.421 36.249 1.00 0.00 O ATOM 1141 CB PRO A 585 32.170 36.533 37.881 1.00 0.00 C ATOM 1142 CG PRO A 585 32.360 35.569 39.053 1.00 0.00 C ATOM 1143 CD PRO A 585 31.184 34.610 38.954 1.00 0.00 C ATOM 0 HA PRO A 585 30.783 36.330 36.225 1.00 0.00 H new ATOM 0 HB2 PRO A 585 33.126 36.903 37.511 1.00 0.00 H new ATOM 0 HB3 PRO A 585 31.583 37.404 38.173 1.00 0.00 H new ATOM 0 HG2 PRO A 585 33.310 35.040 38.981 1.00 0.00 H new ATOM 0 HG3 PRO A 585 32.361 36.098 40.006 1.00 0.00 H new ATOM 0 HD2 PRO A 585 31.483 33.598 39.227 1.00 0.00 H new ATOM 0 HD3 PRO A 585 30.385 34.902 39.636 1.00 0.00 H new ATOM 1151 N GLU A 586 32.193 35.190 34.522 1.00 0.00 N ATOM 1152 CA GLU A 586 33.052 34.553 33.506 1.00 0.00 C ATOM 1153 C GLU A 586 34.526 34.991 33.621 1.00 0.00 C ATOM 1154 O GLU A 586 35.425 34.222 33.282 1.00 0.00 O ATOM 1155 CB GLU A 586 32.497 34.853 32.094 1.00 0.00 C ATOM 1156 CG GLU A 586 32.833 36.254 31.539 1.00 0.00 C ATOM 1157 CD GLU A 586 32.186 36.584 30.180 1.00 0.00 C ATOM 1158 OE1 GLU A 586 32.592 37.599 29.558 1.00 0.00 O ATOM 1159 OE2 GLU A 586 31.292 35.858 29.690 1.00 0.00 O ATOM 0 H GLU A 586 31.424 35.738 34.136 1.00 0.00 H new ATOM 0 HA GLU A 586 33.035 33.478 33.683 1.00 0.00 H new ATOM 0 HB2 GLU A 586 32.883 34.104 31.403 1.00 0.00 H new ATOM 0 HB3 GLU A 586 31.413 34.739 32.115 1.00 0.00 H new ATOM 0 HG2 GLU A 586 32.518 37.002 32.266 1.00 0.00 H new ATOM 0 HG3 GLU A 586 33.915 36.340 31.441 1.00 0.00 H new ATOM 1166 N ASN A 587 34.773 36.190 34.161 1.00 0.00 N ATOM 1167 CA ASN A 587 36.092 36.772 34.426 1.00 0.00 C ATOM 1168 C ASN A 587 36.886 36.070 35.549 1.00 0.00 C ATOM 1169 O ASN A 587 38.107 36.215 35.623 1.00 0.00 O ATOM 1170 CB ASN A 587 35.946 38.294 34.659 1.00 0.00 C ATOM 1171 CG ASN A 587 34.861 38.722 35.637 1.00 0.00 C ATOM 1172 OD1 ASN A 587 33.695 38.379 35.502 1.00 0.00 O ATOM 1173 ND2 ASN A 587 35.180 39.541 36.606 1.00 0.00 N ATOM 0 H ASN A 587 34.016 36.814 34.440 1.00 0.00 H new ATOM 0 HA ASN A 587 36.703 36.604 33.539 1.00 0.00 H new ATOM 0 HB2 ASN A 587 36.901 38.679 35.016 1.00 0.00 H new ATOM 0 HB3 ASN A 587 35.749 38.771 33.699 1.00 0.00 H new ATOM 0 HD21 ASN A 587 34.459 39.887 37.240 1.00 0.00 H new ATOM 0 HD22 ASN A 587 36.149 39.834 36.728 1.00 0.00 H new ATOM 1180 N PHE A 588 36.230 35.256 36.384 1.00 0.00 N ATOM 1181 CA PHE A 588 36.901 34.255 37.226 1.00 0.00 C ATOM 1182 C PHE A 588 37.455 33.015 36.515 1.00 0.00 C ATOM 1183 O PHE A 588 38.238 32.257 37.094 1.00 0.00 O ATOM 1184 CB PHE A 588 36.059 33.886 38.454 1.00 0.00 C ATOM 1185 CG PHE A 588 36.161 34.859 39.613 1.00 0.00 C ATOM 1186 CD1 PHE A 588 35.624 36.159 39.525 1.00 0.00 C ATOM 1187 CD2 PHE A 588 36.790 34.442 40.801 1.00 0.00 C ATOM 1188 CE1 PHE A 588 35.701 37.026 40.629 1.00 0.00 C ATOM 1189 CE2 PHE A 588 36.879 35.313 41.898 1.00 0.00 C ATOM 1190 CZ PHE A 588 36.328 36.602 41.813 1.00 0.00 C ATOM 0 H PHE A 588 35.216 35.272 36.496 1.00 0.00 H new ATOM 0 HA PHE A 588 37.803 34.771 37.556 1.00 0.00 H new ATOM 0 HB2 PHE A 588 35.014 33.812 38.151 1.00 0.00 H new ATOM 0 HB3 PHE A 588 36.361 32.898 38.800 1.00 0.00 H new ATOM 0 HD1 PHE A 588 35.154 36.489 38.610 1.00 0.00 H new ATOM 0 HD2 PHE A 588 37.206 33.448 40.869 1.00 0.00 H new ATOM 0 HE1 PHE A 588 35.278 38.018 40.567 1.00 0.00 H new ATOM 0 HE2 PHE A 588 37.370 34.993 42.805 1.00 0.00 H new ATOM 0 HZ PHE A 588 36.386 37.269 42.660 1.00 0.00 H new ATOM 1200 N THR A 589 37.047 32.792 35.266 1.00 0.00 N ATOM 1201 CA THR A 589 37.389 31.637 34.441 1.00 0.00 C ATOM 1202 C THR A 589 38.022 32.078 33.115 1.00 0.00 C ATOM 1203 O THR A 589 38.153 33.269 32.828 1.00 0.00 O ATOM 1204 CB THR A 589 36.134 30.771 34.208 1.00 0.00 C ATOM 1205 OG1 THR A 589 35.140 31.475 33.493 1.00 0.00 O ATOM 1206 CG2 THR A 589 35.467 30.204 35.473 1.00 0.00 C ATOM 0 H THR A 589 36.437 33.448 34.778 1.00 0.00 H new ATOM 0 HA THR A 589 38.130 31.034 34.966 1.00 0.00 H new ATOM 0 HB THR A 589 36.528 29.929 33.639 1.00 0.00 H new ATOM 0 HG1 THR A 589 35.394 32.419 33.423 1.00 0.00 H new ATOM 0 HG21 THR A 589 34.596 29.612 35.191 1.00 0.00 H new ATOM 0 HG22 THR A 589 36.177 29.573 36.007 1.00 0.00 H new ATOM 0 HG23 THR A 589 35.154 31.025 36.119 1.00 0.00 H new ATOM 1214 N GLU A 590 38.431 31.115 32.295 1.00 0.00 N ATOM 1215 CA GLU A 590 38.864 31.356 30.919 1.00 0.00 C ATOM 1216 C GLU A 590 38.178 30.373 29.964 1.00 0.00 C ATOM 1217 O GLU A 590 38.021 29.193 30.287 1.00 0.00 O ATOM 1218 CB GLU A 590 40.396 31.325 30.829 1.00 0.00 C ATOM 1219 CG GLU A 590 41.027 29.927 30.848 1.00 0.00 C ATOM 1220 CD GLU A 590 42.553 30.000 30.964 1.00 0.00 C ATOM 1221 OE1 GLU A 590 43.169 31.066 30.711 1.00 0.00 O ATOM 1222 OE2 GLU A 590 43.185 28.982 31.331 1.00 0.00 O ATOM 0 H GLU A 590 38.472 30.133 32.569 1.00 0.00 H new ATOM 0 HA GLU A 590 38.557 32.354 30.606 1.00 0.00 H new ATOM 0 HB2 GLU A 590 40.700 31.830 29.912 1.00 0.00 H new ATOM 0 HB3 GLU A 590 40.804 31.901 31.660 1.00 0.00 H new ATOM 0 HG2 GLU A 590 40.625 29.357 31.685 1.00 0.00 H new ATOM 0 HG3 GLU A 590 40.756 29.392 29.938 1.00 0.00 H new ATOM 1229 N ARG A 591 37.745 30.867 28.800 1.00 0.00 N ATOM 1230 CA ARG A 591 37.018 30.110 27.769 1.00 0.00 C ATOM 1231 C ARG A 591 37.966 29.113 27.089 1.00 0.00 C ATOM 1232 O ARG A 591 38.884 29.511 26.371 1.00 0.00 O ATOM 1233 CB ARG A 591 36.394 31.130 26.790 1.00 0.00 C ATOM 1234 CG ARG A 591 35.098 30.689 26.094 1.00 0.00 C ATOM 1235 CD ARG A 591 35.199 29.362 25.334 1.00 0.00 C ATOM 1236 NE ARG A 591 34.202 29.294 24.251 1.00 0.00 N ATOM 1237 CZ ARG A 591 34.207 28.457 23.231 1.00 0.00 C ATOM 1238 NH1 ARG A 591 35.038 27.460 23.149 1.00 0.00 N ATOM 1239 NH2 ARG A 591 33.347 28.620 22.273 1.00 0.00 N ATOM 0 H ARG A 591 37.895 31.841 28.537 1.00 0.00 H new ATOM 0 HA ARG A 591 36.213 29.513 28.197 1.00 0.00 H new ATOM 0 HB2 ARG A 591 36.194 32.052 27.336 1.00 0.00 H new ATOM 0 HB3 ARG A 591 37.132 31.367 26.024 1.00 0.00 H new ATOM 0 HG2 ARG A 591 34.310 30.604 26.843 1.00 0.00 H new ATOM 0 HG3 ARG A 591 34.792 31.469 25.397 1.00 0.00 H new ATOM 0 HD2 ARG A 591 36.201 29.253 24.918 1.00 0.00 H new ATOM 0 HD3 ARG A 591 35.048 28.532 26.024 1.00 0.00 H new ATOM 0 HE ARG A 591 33.431 29.960 24.294 1.00 0.00 H new ATOM 0 HH11 ARG A 591 35.720 27.302 23.891 1.00 0.00 H new ATOM 0 HH12 ARG A 591 35.008 26.836 22.343 1.00 0.00 H new ATOM 0 HH21 ARG A 591 32.677 29.388 22.314 1.00 0.00 H new ATOM 0 HH22 ARG A 591 33.341 27.980 21.479 1.00 0.00 H new ATOM 1253 N VAL A 592 37.742 27.818 27.314 1.00 0.00 N ATOM 1254 CA VAL A 592 38.562 26.713 26.771 1.00 0.00 C ATOM 1255 C VAL A 592 37.929 26.201 25.454 1.00 0.00 C ATOM 1256 O VAL A 592 36.755 26.484 25.184 1.00 0.00 O ATOM 1257 CB VAL A 592 38.706 25.578 27.815 1.00 0.00 C ATOM 1258 CG1 VAL A 592 39.773 25.942 28.855 1.00 0.00 C ATOM 1259 CG2 VAL A 592 37.412 25.241 28.556 1.00 0.00 C ATOM 0 H VAL A 592 36.968 27.491 27.892 1.00 0.00 H new ATOM 0 HA VAL A 592 39.565 27.078 26.551 1.00 0.00 H new ATOM 0 HB VAL A 592 38.992 24.697 27.241 1.00 0.00 H new ATOM 0 HG11 VAL A 592 39.863 25.135 29.582 1.00 0.00 H new ATOM 0 HG12 VAL A 592 40.731 26.090 28.357 1.00 0.00 H new ATOM 0 HG13 VAL A 592 39.484 26.860 29.366 1.00 0.00 H new ATOM 0 HG21 VAL A 592 37.599 24.437 29.268 1.00 0.00 H new ATOM 0 HG22 VAL A 592 37.058 26.123 29.090 1.00 0.00 H new ATOM 0 HG23 VAL A 592 36.655 24.922 27.840 1.00 0.00 H new ATOM 1328 N PRO B1731 40.205 39.076 40.083 1.00 0.00 N ATOM 1329 CA PRO B1731 38.984 39.514 39.402 1.00 0.00 C ATOM 1330 C PRO B1731 37.848 39.899 40.361 1.00 0.00 C ATOM 1331 O PRO B1731 37.833 39.502 41.529 1.00 0.00 O ATOM 1332 CB PRO B1731 38.588 38.360 38.470 1.00 0.00 C ATOM 1333 CG PRO B1731 39.243 37.140 39.105 1.00 0.00 C ATOM 1334 CD PRO B1731 40.546 37.731 39.634 1.00 0.00 C ATOM 0 HA PRO B1731 39.173 40.433 38.848 1.00 0.00 H new ATOM 0 HB2 PRO B1731 37.505 38.247 38.410 1.00 0.00 H new ATOM 0 HB3 PRO B1731 38.948 38.524 37.454 1.00 0.00 H new ATOM 0 HG2 PRO B1731 38.632 36.716 39.902 1.00 0.00 H new ATOM 0 HG3 PRO B1731 39.418 36.345 38.380 1.00 0.00 H new ATOM 0 HD2 PRO B1731 40.945 37.133 40.453 1.00 0.00 H new ATOM 0 HD3 PRO B1731 41.310 37.758 38.857 1.00 0.00 H new ATOM 1342 N VAL B1732 36.881 40.673 39.856 1.00 0.00 N ATOM 1343 CA VAL B1732 35.720 41.187 40.607 1.00 0.00 C ATOM 1344 C VAL B1732 34.418 40.974 39.837 1.00 0.00 C ATOM 1345 O VAL B1732 34.299 41.377 38.677 1.00 0.00 O ATOM 1346 CB VAL B1732 35.891 42.664 41.028 1.00 0.00 C ATOM 1347 CG1 VAL B1732 34.777 43.103 41.987 1.00 0.00 C ATOM 1348 CG2 VAL B1732 37.237 42.929 41.717 1.00 0.00 C ATOM 0 H VAL B1732 36.881 40.971 38.881 1.00 0.00 H new ATOM 0 HA VAL B1732 35.664 40.606 41.527 1.00 0.00 H new ATOM 0 HB VAL B1732 35.845 43.238 40.102 1.00 0.00 H new ATOM 0 HG11 VAL B1732 34.926 44.147 42.264 1.00 0.00 H new ATOM 0 HG12 VAL B1732 33.810 42.992 41.496 1.00 0.00 H new ATOM 0 HG13 VAL B1732 34.802 42.482 42.883 1.00 0.00 H new ATOM 0 HG21 VAL B1732 37.304 43.982 41.992 1.00 0.00 H new ATOM 0 HG22 VAL B1732 37.314 42.314 42.614 1.00 0.00 H new ATOM 0 HG23 VAL B1732 38.050 42.679 41.035 1.00 0.00 H new ATOM 1358 N ALA B1733 33.439 40.321 40.462 1.00 0.00 N ATOM 1359 CA ALA B1733 32.186 39.939 39.822 1.00 0.00 C ATOM 1360 C ALA B1733 31.317 41.154 39.419 1.00 0.00 C ATOM 1361 O ALA B1733 31.205 42.115 40.190 1.00 0.00 O ATOM 1362 CB ALA B1733 31.418 39.014 40.765 1.00 0.00 C ATOM 0 H ALA B1733 33.497 40.040 41.441 1.00 0.00 H new ATOM 0 HA ALA B1733 32.425 39.423 38.892 1.00 0.00 H new ATOM 0 HB1 ALA B1733 30.477 38.719 40.300 1.00 0.00 H new ATOM 0 HB2 ALA B1733 32.015 38.126 40.970 1.00 0.00 H new ATOM 0 HB3 ALA B1733 31.213 39.536 41.699 1.00 0.00 H new ATOM 1368 N PRO B1734 30.647 41.113 38.252 1.00 0.00 N ATOM 1369 CA PRO B1734 29.729 42.174 37.837 1.00 0.00 C ATOM 1370 C PRO B1734 28.408 42.165 38.642 1.00 0.00 C ATOM 1371 O PRO B1734 28.111 41.183 39.333 1.00 0.00 O ATOM 1372 CB PRO B1734 29.522 41.972 36.331 1.00 0.00 C ATOM 1373 CG PRO B1734 29.957 40.535 36.030 1.00 0.00 C ATOM 1374 CD PRO B1734 30.745 40.061 37.247 1.00 0.00 C ATOM 0 HA PRO B1734 30.143 43.162 38.041 1.00 0.00 H new ATOM 0 HB2 PRO B1734 28.479 42.129 36.057 1.00 0.00 H new ATOM 0 HB3 PRO B1734 30.113 42.686 35.757 1.00 0.00 H new ATOM 0 HG2 PRO B1734 29.092 39.896 35.854 1.00 0.00 H new ATOM 0 HG3 PRO B1734 30.571 40.495 35.130 1.00 0.00 H new ATOM 0 HD2 PRO B1734 30.340 39.124 37.628 1.00 0.00 H new ATOM 0 HD3 PRO B1734 31.786 39.874 36.984 1.00 0.00 H new ATOM 1382 N PRO B1735 27.577 43.224 38.563 1.00 0.00 N ATOM 1383 CA PRO B1735 26.254 43.253 39.196 1.00 0.00 C ATOM 1384 C PRO B1735 25.315 42.148 38.689 1.00 0.00 C ATOM 1385 O PRO B1735 25.450 41.712 37.538 1.00 0.00 O ATOM 1386 CB PRO B1735 25.681 44.645 38.895 1.00 0.00 C ATOM 1387 CG PRO B1735 26.920 45.502 38.640 1.00 0.00 C ATOM 1388 CD PRO B1735 27.881 44.521 37.973 1.00 0.00 C ATOM 0 HA PRO B1735 26.346 43.066 40.266 1.00 0.00 H new ATOM 0 HB2 PRO B1735 25.022 44.627 38.027 1.00 0.00 H new ATOM 0 HB3 PRO B1735 25.096 45.026 39.732 1.00 0.00 H new ATOM 0 HG2 PRO B1735 26.698 46.352 37.995 1.00 0.00 H new ATOM 0 HG3 PRO B1735 27.331 45.904 39.566 1.00 0.00 H new ATOM 0 HD2 PRO B1735 27.739 44.505 36.892 1.00 0.00 H new ATOM 0 HD3 PRO B1735 28.918 44.802 38.154 1.00 0.00 H new