USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=21 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 -67:sc= -1.03! USER MOD Set 1.2: A 605 GLN :FLIP amide:sc= -3.28! C(o=-5.9!,f=-4.3!) USER MOD Single : A 521 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 530 GLN :FLIP amide:sc= -1.02 F(o=-2.8!,f=-1) USER MOD Single : A 531 HIS : no HD1:sc= -0.757 X(o=-0.76,f=-0.71) USER MOD Single : A 540 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 LYS NZ :NH3+ -168:sc= -0.0297 (180deg=-0.217) 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=-0.0047) USER MOD Single : A 547 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 550 THR OG1 : rot 102:sc= 0.448 USER MOD Single : A 552 TYR OH : rot 110:sc= 0 USER MOD Single : A 553 TYR OH : rot 31:sc= 1.29 USER MOD Single : A 556 CYS SG : rot -38:sc= -0.0232 USER MOD Single : A 558 LYS NZ :NH3+ -150:sc= 1.38 (180deg=0.294) USER MOD Single : A 560 MET CE :methyl 149:sc= -0.849 (180deg=-1.91!) USER MOD Single : A 561 LYS NZ :NH3+ 167:sc= 1.29 (180deg=1.2) USER MOD Single : A 562 GLN : amide:sc= -1 K(o=-1,f=-1.9) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 569 TYR OH : rot 180:sc= 0 USER MOD Single : A 571 SER OG : rot 180:sc= 0 USER MOD Single : A 573 ASN : amide:sc= 0.586 K(o=0.59,f=0) USER MOD Single : A 576 HIS : no HD1:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 577 SER OG : rot 180:sc= 0.00955 USER MOD Single : A 582 HIS : no HD1:sc= -0.279 K(o=-0.28,f=-8.4!) USER MOD Single : A 584 SER OG : rot -90:sc= -0.0936 USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 589 MET CE :methyl 168:sc= -0.0638 (180deg=-0.284) USER MOD Single : A 608 GLN : amide:sc= -0.068 X(o=-0.068,f=-0.2) USER MOD Single : A 610 SER OG : rot 180:sc= -1.9! USER MOD Single : A 616 SER OG : rot 180:sc= 0 USER MOD Single : A 619 GLN : amide:sc= -0.358 X(o=-0.36,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 94 N ALA A 520 6.650 -10.770 1.783 1.00 0.00 N ATOM 95 CA ALA A 520 6.865 -9.820 2.851 1.00 0.00 C ATOM 96 C ALA A 520 5.846 -10.006 3.959 1.00 0.00 C ATOM 97 O ALA A 520 4.721 -10.440 3.720 1.00 0.00 O ATOM 98 CB ALA A 520 6.813 -8.405 2.307 1.00 0.00 C ATOM 0 HA ALA A 520 7.853 -9.997 3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 520 6.976 -7.697 3.119 1.00 0.00 H new ATOM 0 HB2 ALA A 520 7.589 -8.277 1.552 1.00 0.00 H new ATOM 0 HB3 ALA A 520 5.837 -8.223 1.858 1.00 0.00 H new ATOM 104 N THR A 521 6.262 -9.701 5.170 1.00 0.00 N ATOM 105 CA THR A 521 5.370 -9.721 6.310 1.00 0.00 C ATOM 106 C THR A 521 4.882 -8.318 6.615 1.00 0.00 C ATOM 107 O THR A 521 5.562 -7.346 6.291 1.00 0.00 O ATOM 108 CB THR A 521 6.067 -10.305 7.549 1.00 0.00 C ATOM 109 OG1 THR A 521 7.481 -10.093 7.462 1.00 0.00 O ATOM 110 CG2 THR A 521 5.770 -11.787 7.693 1.00 0.00 C ATOM 0 H THR A 521 7.221 -9.434 5.391 1.00 0.00 H new ATOM 0 HA THR A 521 4.520 -10.356 6.060 1.00 0.00 H new ATOM 0 HB THR A 521 5.681 -9.793 8.431 1.00 0.00 H new ATOM 0 HG1 THR A 521 7.917 -10.467 8.256 1.00 0.00 H new ATOM 0 HG21 THR A 521 6.275 -12.175 8.577 1.00 0.00 H new ATOM 0 HG22 THR A 521 4.695 -11.934 7.795 1.00 0.00 H new ATOM 0 HG23 THR A 521 6.126 -12.317 6.810 1.00 0.00 H new ATOM 118 N PRO A 522 3.700 -8.185 7.232 1.00 0.00 N ATOM 119 CA PRO A 522 3.153 -6.883 7.608 1.00 0.00 C ATOM 120 C PRO A 522 4.149 -6.074 8.430 1.00 0.00 C ATOM 121 O PRO A 522 4.283 -4.867 8.252 1.00 0.00 O ATOM 122 CB PRO A 522 1.910 -7.225 8.447 1.00 0.00 C ATOM 123 CG PRO A 522 2.001 -8.688 8.729 1.00 0.00 C ATOM 124 CD PRO A 522 2.793 -9.281 7.600 1.00 0.00 C ATOM 0 HA PRO A 522 2.922 -6.270 6.737 1.00 0.00 H new ATOM 0 HB2 PRO A 522 1.892 -6.649 9.372 1.00 0.00 H new ATOM 0 HB3 PRO A 522 0.995 -6.987 7.905 1.00 0.00 H new ATOM 0 HG2 PRO A 522 2.490 -8.871 9.686 1.00 0.00 H new ATOM 0 HG3 PRO A 522 1.009 -9.136 8.787 1.00 0.00 H new ATOM 0 HD2 PRO A 522 3.339 -10.171 7.912 1.00 0.00 H new ATOM 0 HD3 PRO A 522 2.154 -9.575 6.767 1.00 0.00 H new ATOM 132 N GLU A 523 4.832 -6.760 9.336 1.00 0.00 N ATOM 133 CA GLU A 523 5.847 -6.128 10.168 1.00 0.00 C ATOM 134 C GLU A 523 6.956 -5.515 9.297 1.00 0.00 C ATOM 135 O GLU A 523 7.450 -4.427 9.586 1.00 0.00 O ATOM 136 CB GLU A 523 6.431 -7.127 11.167 1.00 0.00 C ATOM 137 CG GLU A 523 7.015 -8.371 10.527 1.00 0.00 C ATOM 138 CD GLU A 523 7.589 -9.326 11.545 1.00 0.00 C ATOM 139 OE1 GLU A 523 6.813 -10.104 12.137 1.00 0.00 O ATOM 140 OE2 GLU A 523 8.819 -9.307 11.757 1.00 0.00 O ATOM 0 H GLU A 523 4.701 -7.756 9.514 1.00 0.00 H new ATOM 0 HA GLU A 523 5.373 -5.325 10.733 1.00 0.00 H new ATOM 0 HB2 GLU A 523 7.208 -6.631 11.748 1.00 0.00 H new ATOM 0 HB3 GLU A 523 5.650 -7.424 11.867 1.00 0.00 H new ATOM 0 HG2 GLU A 523 6.240 -8.879 9.953 1.00 0.00 H new ATOM 0 HG3 GLU A 523 7.796 -8.082 9.823 1.00 0.00 H new ATOM 147 N GLU A 524 7.339 -6.214 8.230 1.00 0.00 N ATOM 148 CA GLU A 524 8.325 -5.699 7.289 1.00 0.00 C ATOM 149 C GLU A 524 7.751 -4.554 6.457 1.00 0.00 C ATOM 150 O GLU A 524 8.462 -3.631 6.086 1.00 0.00 O ATOM 151 CB GLU A 524 8.824 -6.806 6.361 1.00 0.00 C ATOM 152 CG GLU A 524 9.549 -7.928 7.080 1.00 0.00 C ATOM 153 CD GLU A 524 10.779 -7.463 7.831 1.00 0.00 C ATOM 154 OE1 GLU A 524 10.645 -7.010 8.985 1.00 0.00 O ATOM 155 OE2 GLU A 524 11.895 -7.570 7.277 1.00 0.00 O ATOM 0 H GLU A 524 6.979 -7.140 7.998 1.00 0.00 H new ATOM 0 HA GLU A 524 9.163 -5.320 7.873 1.00 0.00 H new ATOM 0 HB2 GLU A 524 7.975 -7.223 5.819 1.00 0.00 H new ATOM 0 HB3 GLU A 524 9.493 -6.371 5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 524 8.863 -8.404 7.780 1.00 0.00 H new ATOM 0 HG3 GLU A 524 9.841 -8.687 6.354 1.00 0.00 H new ATOM 162 N VAL A 525 6.462 -4.626 6.161 1.00 0.00 N ATOM 163 CA VAL A 525 5.806 -3.595 5.362 1.00 0.00 C ATOM 164 C VAL A 525 5.575 -2.322 6.184 1.00 0.00 C ATOM 165 O VAL A 525 5.558 -1.216 5.645 1.00 0.00 O ATOM 166 CB VAL A 525 4.467 -4.104 4.787 1.00 0.00 C ATOM 167 CG1 VAL A 525 3.770 -3.023 3.974 1.00 0.00 C ATOM 168 CG2 VAL A 525 4.685 -5.346 3.936 1.00 0.00 C ATOM 0 H VAL A 525 5.849 -5.384 6.460 1.00 0.00 H new ATOM 0 HA VAL A 525 6.470 -3.355 4.532 1.00 0.00 H new ATOM 0 HB VAL A 525 3.823 -4.365 5.627 1.00 0.00 H new ATOM 0 HG11 VAL A 525 2.830 -3.412 3.582 1.00 0.00 H new ATOM 0 HG12 VAL A 525 3.569 -2.161 4.611 1.00 0.00 H new ATOM 0 HG13 VAL A 525 4.411 -2.721 3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 525 3.729 -5.688 3.540 1.00 0.00 H new ATOM 0 HG22 VAL A 525 5.355 -5.108 3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 525 5.127 -6.133 4.547 1.00 0.00 H new ATOM 178 N ARG A 526 5.389 -2.476 7.489 1.00 0.00 N ATOM 179 CA ARG A 526 5.288 -1.320 8.376 1.00 0.00 C ATOM 180 C ARG A 526 6.667 -0.768 8.705 1.00 0.00 C ATOM 181 O ARG A 526 6.780 0.340 9.217 1.00 0.00 O ATOM 182 CB ARG A 526 4.538 -1.652 9.674 1.00 0.00 C ATOM 183 CG ARG A 526 5.173 -2.762 10.485 1.00 0.00 C ATOM 184 CD ARG A 526 4.330 -3.142 11.693 1.00 0.00 C ATOM 185 NE ARG A 526 4.086 -2.006 12.579 1.00 0.00 N ATOM 186 CZ ARG A 526 3.943 -2.104 13.899 1.00 0.00 C ATOM 187 NH1 ARG A 526 4.022 -3.287 14.498 1.00 0.00 N ATOM 188 NH2 ARG A 526 3.709 -1.015 14.618 1.00 0.00 N ATOM 0 H ARG A 526 5.306 -3.380 7.955 1.00 0.00 H new ATOM 0 HA ARG A 526 4.715 -0.562 7.842 1.00 0.00 H new ATOM 0 HB2 ARG A 526 4.481 -0.754 10.289 1.00 0.00 H new ATOM 0 HB3 ARG A 526 3.515 -1.935 9.428 1.00 0.00 H new ATOM 0 HG2 ARG A 526 5.314 -3.638 9.852 1.00 0.00 H new ATOM 0 HG3 ARG A 526 6.162 -2.447 10.818 1.00 0.00 H new ATOM 0 HD2 ARG A 526 3.376 -3.547 11.355 1.00 0.00 H new ATOM 0 HD3 ARG A 526 4.833 -3.933 12.250 1.00 0.00 H new ATOM 0 HE ARG A 526 4.021 -1.079 12.159 1.00 0.00 H new ATOM 0 HH11 ARG A 526 4.193 -4.128 13.946 1.00 0.00 H new ATOM 0 HH12 ARG A 526 3.911 -3.355 15.510 1.00 0.00 H new ATOM 0 HH21 ARG A 526 3.639 -0.106 14.160 1.00 0.00 H new ATOM 0 HH22 ARG A 526 3.599 -1.086 15.630 1.00 0.00 H new ATOM 202 N LEU A 527 7.711 -1.554 8.440 1.00 0.00 N ATOM 203 CA LEU A 527 9.094 -1.123 8.647 1.00 0.00 C ATOM 204 C LEU A 527 9.349 0.250 7.999 1.00 0.00 C ATOM 205 O LEU A 527 9.867 1.152 8.656 1.00 0.00 O ATOM 206 CB LEU A 527 10.055 -2.188 8.083 1.00 0.00 C ATOM 207 CG LEU A 527 11.222 -2.609 8.980 1.00 0.00 C ATOM 208 CD1 LEU A 527 12.218 -1.477 9.138 1.00 0.00 C ATOM 209 CD2 LEU A 527 10.715 -3.079 10.334 1.00 0.00 C ATOM 0 H LEU A 527 7.623 -2.503 8.077 1.00 0.00 H new ATOM 0 HA LEU A 527 9.274 -1.015 9.717 1.00 0.00 H new ATOM 0 HB2 LEU A 527 9.473 -3.078 7.843 1.00 0.00 H new ATOM 0 HB3 LEU A 527 10.465 -1.813 7.145 1.00 0.00 H new ATOM 0 HG LEU A 527 11.736 -3.443 8.501 1.00 0.00 H new ATOM 0 HD11 LEU A 527 13.038 -1.801 9.779 1.00 0.00 H new ATOM 0 HD12 LEU A 527 12.611 -1.199 8.160 1.00 0.00 H new ATOM 0 HD13 LEU A 527 11.723 -0.617 9.588 1.00 0.00 H new ATOM 0 HD21 LEU A 527 11.560 -3.374 10.957 1.00 0.00 H new ATOM 0 HD22 LEU A 527 10.171 -2.269 10.820 1.00 0.00 H new ATOM 0 HD23 LEU A 527 10.050 -3.932 10.197 1.00 0.00 H new ATOM 221 N PRO A 528 8.983 0.443 6.709 1.00 0.00 N ATOM 222 CA PRO A 528 9.072 1.753 6.052 1.00 0.00 C ATOM 223 C PRO A 528 8.308 2.833 6.811 1.00 0.00 C ATOM 224 O PRO A 528 8.778 3.966 6.940 1.00 0.00 O ATOM 225 CB PRO A 528 8.432 1.516 4.681 1.00 0.00 C ATOM 226 CG PRO A 528 8.569 0.057 4.438 1.00 0.00 C ATOM 227 CD PRO A 528 8.491 -0.595 5.781 1.00 0.00 C ATOM 0 HA PRO A 528 10.101 2.109 6.000 1.00 0.00 H new ATOM 0 HB2 PRO A 528 7.385 1.820 4.677 1.00 0.00 H new ATOM 0 HB3 PRO A 528 8.935 2.094 3.906 1.00 0.00 H new ATOM 0 HG2 PRO A 528 7.777 -0.305 3.782 1.00 0.00 H new ATOM 0 HG3 PRO A 528 9.516 -0.170 3.949 1.00 0.00 H new ATOM 0 HD2 PRO A 528 7.471 -0.894 6.021 1.00 0.00 H new ATOM 0 HD3 PRO A 528 9.106 -1.494 5.825 1.00 0.00 H new ATOM 235 N LEU A 529 7.146 2.461 7.342 1.00 0.00 N ATOM 236 CA LEU A 529 6.290 3.398 8.067 1.00 0.00 C ATOM 237 C LEU A 529 6.973 3.863 9.346 1.00 0.00 C ATOM 238 O LEU A 529 6.696 4.950 9.854 1.00 0.00 O ATOM 239 CB LEU A 529 4.945 2.751 8.420 1.00 0.00 C ATOM 240 CG LEU A 529 4.168 2.138 7.251 1.00 0.00 C ATOM 241 CD1 LEU A 529 2.840 1.578 7.735 1.00 0.00 C ATOM 242 CD2 LEU A 529 3.938 3.164 6.158 1.00 0.00 C ATOM 0 H LEU A 529 6.774 1.513 7.284 1.00 0.00 H new ATOM 0 HA LEU A 529 6.112 4.255 7.417 1.00 0.00 H new ATOM 0 HB2 LEU A 529 5.123 1.972 9.161 1.00 0.00 H new ATOM 0 HB3 LEU A 529 4.315 3.504 8.894 1.00 0.00 H new ATOM 0 HG LEU A 529 4.763 1.324 6.836 1.00 0.00 H new ATOM 0 HD11 LEU A 529 2.299 1.146 6.893 1.00 0.00 H new ATOM 0 HD12 LEU A 529 3.021 0.807 8.484 1.00 0.00 H new ATOM 0 HD13 LEU A 529 2.246 2.379 8.175 1.00 0.00 H new ATOM 0 HD21 LEU A 529 3.384 2.705 5.339 1.00 0.00 H new ATOM 0 HD22 LEU A 529 3.366 4.001 6.559 1.00 0.00 H new ATOM 0 HD23 LEU A 529 4.898 3.525 5.790 1.00 0.00 H new ATOM 254 N GLN A 530 7.869 3.031 9.859 1.00 0.00 N ATOM 255 CA GLN A 530 8.579 3.332 11.093 1.00 0.00 C ATOM 256 C GLN A 530 9.698 4.336 10.838 1.00 0.00 C ATOM 257 O GLN A 530 10.111 5.061 11.740 1.00 0.00 O ATOM 258 CB GLN A 530 9.174 2.052 11.696 1.00 0.00 C ATOM 259 CG GLN A 530 8.184 0.904 11.815 1.00 0.00 C ATOM 260 CD GLN A 530 8.796 -0.340 12.426 1.00 0.00 C ATOM 261 OE1 GLN A 530 8.298 -1.494 12.019 1.00 0.00 O flip ATOM 262 NE2 GLN A 530 9.710 -0.267 13.251 1.00 0.00 N flip ATOM 0 H GLN A 530 8.122 2.138 9.436 1.00 0.00 H new ATOM 0 HA GLN A 530 7.865 3.763 11.795 1.00 0.00 H new ATOM 0 HB2 GLN A 530 10.015 1.730 11.081 1.00 0.00 H new ATOM 0 HB3 GLN A 530 9.571 2.280 12.685 1.00 0.00 H new ATOM 0 HG2 GLN A 530 7.337 1.223 12.423 1.00 0.00 H new ATOM 0 HG3 GLN A 530 7.794 0.663 10.826 1.00 0.00 H new ATOM 0 HE21 GLN A 530 10.066 0.645 13.539 1.00 0.00 H new ATOM 0 HE22 GLN A 530 10.110 -1.118 13.646 1.00 0.00 H new ATOM 271 N HIS A 531 10.178 4.383 9.601 1.00 0.00 N ATOM 272 CA HIS A 531 11.350 5.187 9.275 1.00 0.00 C ATOM 273 C HIS A 531 10.991 6.512 8.608 1.00 0.00 C ATOM 274 O HIS A 531 11.756 7.475 8.697 1.00 0.00 O ATOM 275 CB HIS A 531 12.314 4.385 8.396 1.00 0.00 C ATOM 276 CG HIS A 531 13.065 3.341 9.162 1.00 0.00 C ATOM 277 ND1 HIS A 531 14.186 3.658 9.890 1.00 0.00 N ATOM 278 CD2 HIS A 531 12.804 2.020 9.304 1.00 0.00 C ATOM 279 CE1 HIS A 531 14.579 2.530 10.459 1.00 0.00 C ATOM 280 NE2 HIS A 531 13.773 1.512 10.132 1.00 0.00 N ATOM 0 H HIS A 531 9.777 3.877 8.811 1.00 0.00 H new ATOM 0 HA HIS A 531 11.840 5.434 10.217 1.00 0.00 H new ATOM 0 HB2 HIS A 531 11.754 3.907 7.593 1.00 0.00 H new ATOM 0 HB3 HIS A 531 13.024 5.067 7.928 1.00 0.00 H new ATOM 0 HD2 HIS A 531 11.990 1.472 8.853 1.00 0.00 H new ATOM 0 HE1 HIS A 531 15.440 2.442 11.105 1.00 0.00 H new ATOM 0 HE2 HIS A 531 13.862 0.544 10.440 1.00 0.00 H new ATOM 288 N GLY A 532 9.844 6.578 7.946 1.00 0.00 N ATOM 289 CA GLY A 532 9.450 7.823 7.308 1.00 0.00 C ATOM 290 C GLY A 532 8.500 7.626 6.145 1.00 0.00 C ATOM 291 O GLY A 532 7.750 8.537 5.786 1.00 0.00 O ATOM 0 H GLY A 532 9.186 5.806 7.839 1.00 0.00 H new ATOM 0 HA2 GLY A 532 8.978 8.469 8.048 1.00 0.00 H new ATOM 0 HA3 GLY A 532 10.342 8.341 6.956 1.00 0.00 H new ATOM 295 N TRP A 533 8.541 6.446 5.542 1.00 0.00 N ATOM 296 CA TRP A 533 7.659 6.129 4.426 1.00 0.00 C ATOM 297 C TRP A 533 6.220 6.022 4.903 1.00 0.00 C ATOM 298 O TRP A 533 5.965 5.814 6.090 1.00 0.00 O ATOM 299 CB TRP A 533 8.069 4.808 3.778 1.00 0.00 C ATOM 300 CG TRP A 533 9.446 4.812 3.196 1.00 0.00 C ATOM 301 CD1 TRP A 533 10.629 4.804 3.877 1.00 0.00 C ATOM 302 CD2 TRP A 533 9.782 4.796 1.807 1.00 0.00 C ATOM 303 NE1 TRP A 533 11.678 4.811 2.995 1.00 0.00 N ATOM 304 CE2 TRP A 533 11.185 4.798 1.717 1.00 0.00 C ATOM 305 CE3 TRP A 533 9.030 4.786 0.630 1.00 0.00 C ATOM 306 CZ2 TRP A 533 11.852 4.788 0.496 1.00 0.00 C ATOM 307 CZ3 TRP A 533 9.691 4.773 -0.580 1.00 0.00 C ATOM 308 CH2 TRP A 533 11.089 4.773 -0.641 1.00 0.00 C ATOM 0 H TRP A 533 9.175 5.692 5.806 1.00 0.00 H new ATOM 0 HA TRP A 533 7.741 6.932 3.693 1.00 0.00 H new ATOM 0 HB2 TRP A 533 8.004 4.015 4.523 1.00 0.00 H new ATOM 0 HB3 TRP A 533 7.355 4.565 2.991 1.00 0.00 H new ATOM 0 HD1 TRP A 533 10.724 4.794 4.953 1.00 0.00 H new ATOM 0 HE1 TRP A 533 12.666 4.824 3.249 1.00 0.00 H new ATOM 0 HE3 TRP A 533 7.951 4.788 0.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 12.931 4.792 0.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 9.120 4.763 -1.497 1.00 0.00 H new ATOM 0 HH2 TRP A 533 11.576 4.761 -1.605 1.00 0.00 H new ATOM 319 N ARG A 534 5.281 6.158 3.980 1.00 0.00 N ATOM 320 CA ARG A 534 3.873 5.983 4.284 1.00 0.00 C ATOM 321 C ARG A 534 3.248 5.113 3.208 1.00 0.00 C ATOM 322 O ARG A 534 3.765 5.052 2.091 1.00 0.00 O ATOM 323 CB ARG A 534 3.150 7.334 4.349 1.00 0.00 C ATOM 324 CG ARG A 534 3.549 8.201 5.536 1.00 0.00 C ATOM 325 CD ARG A 534 3.396 7.465 6.859 1.00 0.00 C ATOM 326 NE ARG A 534 2.061 6.896 7.037 1.00 0.00 N ATOM 327 CZ ARG A 534 1.705 6.166 8.092 1.00 0.00 C ATOM 328 NH1 ARG A 534 2.576 5.952 9.073 1.00 0.00 N ATOM 329 NH2 ARG A 534 0.478 5.660 8.172 1.00 0.00 N ATOM 0 H ARG A 534 5.473 6.391 3.006 1.00 0.00 H new ATOM 0 HA ARG A 534 3.776 5.506 5.259 1.00 0.00 H new ATOM 0 HB2 ARG A 534 3.349 7.884 3.429 1.00 0.00 H new ATOM 0 HB3 ARG A 534 2.075 7.156 4.388 1.00 0.00 H new ATOM 0 HG2 ARG A 534 4.584 8.523 5.418 1.00 0.00 H new ATOM 0 HG3 ARG A 534 2.935 9.101 5.549 1.00 0.00 H new ATOM 0 HD2 ARG A 534 4.137 6.667 6.914 1.00 0.00 H new ATOM 0 HD3 ARG A 534 3.606 8.152 7.679 1.00 0.00 H new ATOM 0 HE ARG A 534 1.364 7.068 6.313 1.00 0.00 H new ATOM 0 HH11 ARG A 534 3.515 6.347 9.017 1.00 0.00 H new ATOM 0 HH12 ARG A 534 2.306 5.393 9.882 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -0.194 5.831 7.424 1.00 0.00 H new ATOM 0 HH22 ARG A 534 0.209 5.101 8.982 1.00 0.00 H new ATOM 343 N ARG A 535 2.136 4.460 3.521 1.00 0.00 N ATOM 344 CA ARG A 535 1.515 3.602 2.562 1.00 0.00 C ATOM 345 C ARG A 535 0.003 3.599 2.725 1.00 0.00 C ATOM 346 O ARG A 535 -0.532 3.231 3.778 1.00 0.00 O ATOM 347 CB ARG A 535 2.070 2.205 2.742 1.00 0.00 C ATOM 348 CG ARG A 535 1.490 1.209 1.786 1.00 0.00 C ATOM 349 CD ARG A 535 0.858 0.063 2.530 1.00 0.00 C ATOM 350 NE ARG A 535 -0.358 0.440 3.241 1.00 0.00 N ATOM 351 CZ ARG A 535 -1.295 -0.439 3.578 1.00 0.00 C ATOM 352 NH1 ARG A 535 -1.098 -1.731 3.345 1.00 0.00 N ATOM 353 NH2 ARG A 535 -2.423 -0.033 4.142 1.00 0.00 N ATOM 0 H ARG A 535 1.663 4.517 4.423 1.00 0.00 H new ATOM 0 HA ARG A 535 1.731 3.965 1.557 1.00 0.00 H new ATOM 0 HB2 ARG A 535 3.152 2.232 2.615 1.00 0.00 H new ATOM 0 HB3 ARG A 535 1.877 1.874 3.762 1.00 0.00 H new ATOM 0 HG2 ARG A 535 0.745 1.694 1.155 1.00 0.00 H new ATOM 0 HG3 ARG A 535 2.272 0.833 1.126 1.00 0.00 H new ATOM 0 HD2 ARG A 535 0.626 -0.735 1.825 1.00 0.00 H new ATOM 0 HD3 ARG A 535 1.578 -0.340 3.243 1.00 0.00 H new ATOM 0 HE ARG A 535 -0.495 1.420 3.490 1.00 0.00 H new ATOM 0 HH11 ARG A 535 -0.231 -2.044 2.909 1.00 0.00 H new ATOM 0 HH12 ARG A 535 -1.814 -2.411 3.602 1.00 0.00 H new ATOM 0 HH21 ARG A 535 -2.576 0.960 4.320 1.00 0.00 H new ATOM 0 HH22 ARG A 535 -3.139 -0.713 4.398 1.00 0.00 H new ATOM 367 N GLU A 536 -0.669 3.970 1.660 1.00 0.00 N ATOM 368 CA GLU A 536 -2.116 4.064 1.656 1.00 0.00 C ATOM 369 C GLU A 536 -2.681 3.043 0.686 1.00 0.00 C ATOM 370 O GLU A 536 -2.089 2.793 -0.355 1.00 0.00 O ATOM 371 CB GLU A 536 -2.559 5.461 1.225 1.00 0.00 C ATOM 372 CG GLU A 536 -2.116 6.564 2.165 1.00 0.00 C ATOM 373 CD GLU A 536 -2.603 7.930 1.727 1.00 0.00 C ATOM 374 OE1 GLU A 536 -2.674 8.182 0.504 1.00 0.00 O ATOM 375 OE2 GLU A 536 -2.928 8.758 2.602 1.00 0.00 O ATOM 0 H GLU A 536 -0.232 4.215 0.772 1.00 0.00 H new ATOM 0 HA GLU A 536 -2.484 3.870 2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 536 -2.165 5.665 0.230 1.00 0.00 H new ATOM 0 HB3 GLU A 536 -3.646 5.479 1.147 1.00 0.00 H new ATOM 0 HG2 GLU A 536 -2.488 6.354 3.168 1.00 0.00 H new ATOM 0 HG3 GLU A 536 -1.028 6.572 2.224 1.00 0.00 H new ATOM 382 N VAL A 537 -3.800 2.435 1.023 1.00 0.00 N ATOM 383 CA VAL A 537 -4.428 1.496 0.108 1.00 0.00 C ATOM 384 C VAL A 537 -5.802 1.993 -0.296 1.00 0.00 C ATOM 385 O VAL A 537 -6.659 2.257 0.548 1.00 0.00 O ATOM 386 CB VAL A 537 -4.530 0.076 0.707 1.00 0.00 C ATOM 387 CG1 VAL A 537 -5.254 -0.870 -0.236 1.00 0.00 C ATOM 388 CG2 VAL A 537 -3.151 -0.468 1.005 1.00 0.00 C ATOM 0 H VAL A 537 -4.289 2.569 1.908 1.00 0.00 H new ATOM 0 HA VAL A 537 -3.792 1.432 -0.775 1.00 0.00 H new ATOM 0 HB VAL A 537 -5.102 0.148 1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 537 -5.309 -1.861 0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 537 -6.262 -0.499 -0.421 1.00 0.00 H new ATOM 0 HG13 VAL A 537 -4.711 -0.930 -1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 537 -3.238 -1.469 1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 537 -2.570 -0.512 0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 537 -2.649 0.184 1.720 1.00 0.00 H new ATOM 398 N ARG A 538 -5.991 2.131 -1.591 1.00 0.00 N ATOM 399 CA ARG A 538 -7.236 2.637 -2.136 1.00 0.00 C ATOM 400 C ARG A 538 -8.066 1.495 -2.678 1.00 0.00 C ATOM 401 O ARG A 538 -7.629 0.780 -3.579 1.00 0.00 O ATOM 402 CB ARG A 538 -6.953 3.640 -3.254 1.00 0.00 C ATOM 403 CG ARG A 538 -6.071 4.789 -2.816 1.00 0.00 C ATOM 404 CD ARG A 538 -6.750 5.643 -1.760 1.00 0.00 C ATOM 405 NE ARG A 538 -5.830 6.613 -1.178 1.00 0.00 N ATOM 406 CZ ARG A 538 -6.210 7.731 -0.567 1.00 0.00 C ATOM 407 NH1 ARG A 538 -7.495 8.064 -0.515 1.00 0.00 N ATOM 408 NH2 ARG A 538 -5.304 8.523 -0.018 1.00 0.00 N ATOM 0 H ARG A 538 -5.290 1.897 -2.294 1.00 0.00 H new ATOM 0 HA ARG A 538 -7.788 3.136 -1.340 1.00 0.00 H new ATOM 0 HB2 ARG A 538 -6.477 3.122 -4.086 1.00 0.00 H new ATOM 0 HB3 ARG A 538 -7.898 4.037 -3.625 1.00 0.00 H new ATOM 0 HG2 ARG A 538 -5.133 4.399 -2.421 1.00 0.00 H new ATOM 0 HG3 ARG A 538 -5.821 5.406 -3.679 1.00 0.00 H new ATOM 0 HD2 ARG A 538 -7.597 6.166 -2.204 1.00 0.00 H new ATOM 0 HD3 ARG A 538 -7.148 5.002 -0.974 1.00 0.00 H new ATOM 0 HE ARG A 538 -4.830 6.421 -1.244 1.00 0.00 H new ATOM 0 HH11 ARG A 538 -8.196 7.461 -0.945 1.00 0.00 H new ATOM 0 HH12 ARG A 538 -7.781 8.923 -0.045 1.00 0.00 H new ATOM 0 HH21 ARG A 538 -4.315 8.276 -0.064 1.00 0.00 H new ATOM 0 HH22 ARG A 538 -5.594 9.381 0.451 1.00 0.00 H new ATOM 422 N ILE A 539 -9.258 1.319 -2.137 1.00 0.00 N ATOM 423 CA ILE A 539 -10.138 0.275 -2.612 1.00 0.00 C ATOM 424 C ILE A 539 -11.373 0.879 -3.271 1.00 0.00 C ATOM 425 O ILE A 539 -12.111 1.657 -2.663 1.00 0.00 O ATOM 426 CB ILE A 539 -10.573 -0.645 -1.465 1.00 0.00 C ATOM 427 CG1 ILE A 539 -9.345 -1.146 -0.700 1.00 0.00 C ATOM 428 CG2 ILE A 539 -11.373 -1.815 -2.014 1.00 0.00 C ATOM 429 CD1 ILE A 539 -9.676 -2.045 0.468 1.00 0.00 C ATOM 0 H ILE A 539 -9.634 1.882 -1.374 1.00 0.00 H new ATOM 0 HA ILE A 539 -9.587 -0.314 -3.345 1.00 0.00 H new ATOM 0 HB ILE A 539 -11.205 -0.084 -0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 539 -8.695 -1.686 -1.389 1.00 0.00 H new ATOM 0 HG13 ILE A 539 -8.780 -0.287 -0.336 1.00 0.00 H new ATOM 0 HG21 ILE A 539 -11.678 -2.464 -1.193 1.00 0.00 H new ATOM 0 HG22 ILE A 539 -12.258 -1.441 -2.529 1.00 0.00 H new ATOM 0 HG23 ILE A 539 -10.757 -2.380 -2.714 1.00 0.00 H new ATOM 0 HD11 ILE A 539 -8.754 -2.358 0.959 1.00 0.00 H new ATOM 0 HD12 ILE A 539 -10.300 -1.503 1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 539 -10.213 -2.923 0.110 1.00 0.00 H new ATOM 441 N LYS A 540 -11.574 0.510 -4.517 1.00 0.00 N ATOM 442 CA LYS A 540 -12.695 1.017 -5.288 1.00 0.00 C ATOM 443 C LYS A 540 -13.486 -0.104 -5.935 1.00 0.00 C ATOM 444 O LYS A 540 -12.935 -1.137 -6.322 1.00 0.00 O ATOM 445 CB LYS A 540 -12.206 2.016 -6.340 1.00 0.00 C ATOM 446 CG LYS A 540 -11.147 1.463 -7.284 1.00 0.00 C ATOM 447 CD LYS A 540 -10.507 2.569 -8.111 1.00 0.00 C ATOM 448 CE LYS A 540 -11.540 3.351 -8.907 1.00 0.00 C ATOM 449 NZ LYS A 540 -10.933 4.499 -9.630 1.00 0.00 N ATOM 0 H LYS A 540 -10.974 -0.142 -5.022 1.00 0.00 H new ATOM 0 HA LYS A 540 -13.367 1.531 -4.601 1.00 0.00 H new ATOM 0 HB2 LYS A 540 -13.059 2.354 -6.928 1.00 0.00 H new ATOM 0 HB3 LYS A 540 -11.802 2.892 -5.832 1.00 0.00 H new ATOM 0 HG2 LYS A 540 -10.379 0.946 -6.709 1.00 0.00 H new ATOM 0 HG3 LYS A 540 -11.599 0.725 -7.948 1.00 0.00 H new ATOM 0 HD2 LYS A 540 -9.966 3.248 -7.452 1.00 0.00 H new ATOM 0 HD3 LYS A 540 -9.775 2.136 -8.793 1.00 0.00 H new ATOM 0 HE2 LYS A 540 -12.025 2.687 -9.623 1.00 0.00 H new ATOM 0 HE3 LYS A 540 -12.316 3.716 -8.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 540 -11.671 5.005 -10.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 540 -10.492 5.146 -8.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 540 -10.210 4.150 -10.291 1.00 0.00 H new ATOM 463 N LYS A 541 -14.788 0.105 -6.034 1.00 0.00 N ATOM 464 CA LYS A 541 -15.648 -0.871 -6.670 1.00 0.00 C ATOM 465 C LYS A 541 -15.521 -0.742 -8.179 1.00 0.00 C ATOM 466 O LYS A 541 -15.716 0.340 -8.736 1.00 0.00 O ATOM 467 CB LYS A 541 -17.106 -0.659 -6.250 1.00 0.00 C ATOM 468 CG LYS A 541 -18.097 -1.520 -7.020 1.00 0.00 C ATOM 469 CD LYS A 541 -17.887 -2.997 -6.747 1.00 0.00 C ATOM 470 CE LYS A 541 -18.866 -3.858 -7.526 1.00 0.00 C ATOM 471 NZ LYS A 541 -20.276 -3.572 -7.158 1.00 0.00 N ATOM 0 H LYS A 541 -15.267 0.935 -5.685 1.00 0.00 H new ATOM 0 HA LYS A 541 -15.343 -1.870 -6.359 1.00 0.00 H new ATOM 0 HB2 LYS A 541 -17.203 -0.873 -5.186 1.00 0.00 H new ATOM 0 HB3 LYS A 541 -17.366 0.390 -6.389 1.00 0.00 H new ATOM 0 HG2 LYS A 541 -19.114 -1.240 -6.744 1.00 0.00 H new ATOM 0 HG3 LYS A 541 -17.992 -1.329 -8.088 1.00 0.00 H new ATOM 0 HD2 LYS A 541 -16.867 -3.275 -7.013 1.00 0.00 H new ATOM 0 HD3 LYS A 541 -18.002 -3.190 -5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 541 -18.729 -3.687 -8.594 1.00 0.00 H new ATOM 0 HE3 LYS A 541 -18.650 -4.910 -7.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 -20.894 -4.309 -7.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 -20.369 -3.561 -6.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 -20.554 -2.646 -7.540 1.00 0.00 H new ATOM 485 N GLY A 542 -15.194 -1.840 -8.829 1.00 0.00 N ATOM 486 CA GLY A 542 -15.032 -1.824 -10.262 1.00 0.00 C ATOM 487 C GLY A 542 -16.303 -2.230 -10.968 1.00 0.00 C ATOM 488 O GLY A 542 -17.239 -2.721 -10.335 1.00 0.00 O ATOM 0 H GLY A 542 -15.037 -2.747 -8.389 1.00 0.00 H new ATOM 0 HA2 GLY A 542 -14.739 -0.825 -10.585 1.00 0.00 H new ATOM 0 HA3 GLY A 542 -14.225 -2.500 -10.545 1.00 0.00 H new ATOM 492 N SER A 543 -16.341 -2.025 -12.273 1.00 0.00 N ATOM 493 CA SER A 543 -17.505 -2.387 -13.066 1.00 0.00 C ATOM 494 C SER A 543 -17.609 -3.903 -13.190 1.00 0.00 C ATOM 495 O SER A 543 -18.683 -4.452 -13.434 1.00 0.00 O ATOM 496 CB SER A 543 -17.409 -1.747 -14.449 1.00 0.00 C ATOM 497 OG SER A 543 -17.145 -0.357 -14.343 1.00 0.00 O ATOM 0 H SER A 543 -15.578 -1.609 -12.808 1.00 0.00 H new ATOM 0 HA SER A 543 -18.402 -2.019 -12.568 1.00 0.00 H new ATOM 0 HB2 SER A 543 -16.618 -2.229 -15.024 1.00 0.00 H new ATOM 0 HB3 SER A 543 -18.340 -1.905 -14.993 1.00 0.00 H new ATOM 0 HG SER A 543 -17.085 0.034 -15.240 1.00 0.00 H new ATOM 503 N HIS A 544 -16.483 -4.575 -13.010 1.00 0.00 N ATOM 504 CA HIS A 544 -16.440 -6.025 -13.097 1.00 0.00 C ATOM 505 C HIS A 544 -16.242 -6.625 -11.720 1.00 0.00 C ATOM 506 O HIS A 544 -17.011 -7.478 -11.282 1.00 0.00 O ATOM 507 CB HIS A 544 -15.289 -6.492 -13.992 1.00 0.00 C ATOM 508 CG HIS A 544 -15.165 -5.740 -15.279 1.00 0.00 C ATOM 509 ND1 HIS A 544 -14.018 -5.051 -15.592 1.00 0.00 N ATOM 510 CD2 HIS A 544 -16.057 -5.600 -16.287 1.00 0.00 C ATOM 511 CE1 HIS A 544 -14.235 -4.511 -16.777 1.00 0.00 C ATOM 512 NE2 HIS A 544 -15.457 -4.815 -17.237 1.00 0.00 N ATOM 0 H HIS A 544 -15.585 -4.138 -12.802 1.00 0.00 H new ATOM 0 HA HIS A 544 -17.387 -6.355 -13.524 1.00 0.00 H new ATOM 0 HB2 HIS A 544 -14.354 -6.399 -13.439 1.00 0.00 H new ATOM 0 HB3 HIS A 544 -15.424 -7.550 -14.215 1.00 0.00 H new ATOM 0 HD2 HIS A 544 -17.049 -6.024 -16.334 1.00 0.00 H new ATOM 0 HE1 HIS A 544 -13.519 -3.902 -17.308 1.00 0.00 H new ATOM 0 HE2 HIS A 544 -15.863 -4.519 -18.125 1.00 0.00 H new ATOM 520 N ARG A 545 -15.216 -6.150 -11.033 1.00 0.00 N ATOM 521 CA ARG A 545 -14.752 -6.796 -9.822 1.00 0.00 C ATOM 522 C ARG A 545 -14.374 -5.766 -8.761 1.00 0.00 C ATOM 523 O ARG A 545 -14.284 -4.571 -9.036 1.00 0.00 O ATOM 524 CB ARG A 545 -13.535 -7.664 -10.173 1.00 0.00 C ATOM 525 CG ARG A 545 -13.162 -8.692 -9.120 1.00 0.00 C ATOM 526 CD ARG A 545 -11.886 -9.435 -9.487 1.00 0.00 C ATOM 527 NE ARG A 545 -12.024 -10.197 -10.730 1.00 0.00 N ATOM 528 CZ ARG A 545 -11.001 -10.755 -11.378 1.00 0.00 C ATOM 529 NH1 ARG A 545 -9.764 -10.616 -10.918 1.00 0.00 N ATOM 530 NH2 ARG A 545 -11.215 -11.449 -12.490 1.00 0.00 N ATOM 0 H ARG A 545 -14.689 -5.317 -11.296 1.00 0.00 H new ATOM 0 HA ARG A 545 -15.552 -7.413 -9.412 1.00 0.00 H new ATOM 0 HB2 ARG A 545 -13.734 -8.181 -11.112 1.00 0.00 H new ATOM 0 HB3 ARG A 545 -12.678 -7.012 -10.344 1.00 0.00 H new ATOM 0 HG2 ARG A 545 -13.031 -8.197 -8.158 1.00 0.00 H new ATOM 0 HG3 ARG A 545 -13.978 -9.405 -9.003 1.00 0.00 H new ATOM 0 HD2 ARG A 545 -11.069 -8.721 -9.590 1.00 0.00 H new ATOM 0 HD3 ARG A 545 -11.617 -10.112 -8.676 1.00 0.00 H new ATOM 0 HE ARG A 545 -12.959 -10.307 -11.124 1.00 0.00 H new ATOM 0 HH11 ARG A 545 -9.594 -10.081 -10.066 1.00 0.00 H new ATOM 0 HH12 ARG A 545 -8.984 -11.044 -11.416 1.00 0.00 H new ATOM 0 HH21 ARG A 545 -12.163 -11.556 -12.850 1.00 0.00 H new ATOM 0 HH22 ARG A 545 -10.431 -11.875 -12.984 1.00 0.00 H new ATOM 544 N TRP A 546 -14.163 -6.257 -7.556 1.00 0.00 N ATOM 545 CA TRP A 546 -13.659 -5.416 -6.486 1.00 0.00 C ATOM 546 C TRP A 546 -12.148 -5.320 -6.594 1.00 0.00 C ATOM 547 O TRP A 546 -11.458 -6.340 -6.643 1.00 0.00 O ATOM 548 CB TRP A 546 -14.059 -5.958 -5.118 1.00 0.00 C ATOM 549 CG TRP A 546 -15.415 -5.506 -4.690 1.00 0.00 C ATOM 550 CD1 TRP A 546 -16.606 -6.112 -4.957 1.00 0.00 C ATOM 551 CD2 TRP A 546 -15.717 -4.334 -3.924 1.00 0.00 C ATOM 552 NE1 TRP A 546 -17.633 -5.394 -4.394 1.00 0.00 N ATOM 553 CE2 TRP A 546 -17.112 -4.298 -3.754 1.00 0.00 C ATOM 554 CE3 TRP A 546 -14.941 -3.313 -3.362 1.00 0.00 C ATOM 555 CZ2 TRP A 546 -17.749 -3.281 -3.047 1.00 0.00 C ATOM 556 CZ3 TRP A 546 -15.575 -2.305 -2.661 1.00 0.00 C ATOM 557 CH2 TRP A 546 -16.967 -2.296 -2.509 1.00 0.00 C ATOM 0 H TRP A 546 -14.331 -7.228 -7.293 1.00 0.00 H new ATOM 0 HA TRP A 546 -14.098 -4.424 -6.587 1.00 0.00 H new ATOM 0 HB2 TRP A 546 -14.035 -7.047 -5.143 1.00 0.00 H new ATOM 0 HB3 TRP A 546 -13.325 -5.640 -4.378 1.00 0.00 H new ATOM 0 HD1 TRP A 546 -16.725 -7.022 -5.527 1.00 0.00 H new ATOM 0 HE1 TRP A 546 -18.623 -5.636 -4.444 1.00 0.00 H new ATOM 0 HE3 TRP A 546 -13.867 -3.313 -3.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 546 -18.822 -3.270 -2.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 546 -14.988 -1.511 -2.223 1.00 0.00 H new ATOM 0 HH2 TRP A 546 -17.433 -1.494 -1.955 1.00 0.00 H new ATOM 568 N GLN A 547 -11.633 -4.103 -6.659 1.00 0.00 N ATOM 569 CA GLN A 547 -10.202 -3.901 -6.793 1.00 0.00 C ATOM 570 C GLN A 547 -9.661 -2.950 -5.738 1.00 0.00 C ATOM 571 O GLN A 547 -10.399 -2.177 -5.127 1.00 0.00 O ATOM 572 CB GLN A 547 -9.878 -3.366 -8.191 1.00 0.00 C ATOM 573 CG GLN A 547 -10.589 -2.064 -8.522 1.00 0.00 C ATOM 574 CD GLN A 547 -10.242 -1.542 -9.901 1.00 0.00 C ATOM 575 OE1 GLN A 547 -10.901 -1.866 -10.890 1.00 0.00 O ATOM 576 NE2 GLN A 547 -9.206 -0.725 -9.976 1.00 0.00 N ATOM 0 H GLN A 547 -12.183 -3.245 -6.621 1.00 0.00 H new ATOM 0 HA GLN A 547 -9.718 -4.867 -6.647 1.00 0.00 H new ATOM 0 HB2 GLN A 547 -8.802 -3.214 -8.273 1.00 0.00 H new ATOM 0 HB3 GLN A 547 -10.151 -4.118 -8.931 1.00 0.00 H new ATOM 0 HG2 GLN A 547 -11.666 -2.216 -8.456 1.00 0.00 H new ATOM 0 HG3 GLN A 547 -10.327 -1.312 -7.777 1.00 0.00 H new ATOM 0 HE21 GLN A 547 -8.686 -0.482 -9.133 1.00 0.00 H new ATOM 0 HE22 GLN A 547 -8.926 -0.338 -10.877 1.00 0.00 H new ATOM 585 N GLY A 548 -8.359 -3.018 -5.549 1.00 0.00 N ATOM 586 CA GLY A 548 -7.684 -2.157 -4.614 1.00 0.00 C ATOM 587 C GLY A 548 -6.234 -1.989 -4.988 1.00 0.00 C ATOM 588 O GLY A 548 -5.640 -2.882 -5.593 1.00 0.00 O ATOM 0 H GLY A 548 -7.746 -3.670 -6.039 1.00 0.00 H new ATOM 0 HA2 GLY A 548 -8.173 -1.183 -4.592 1.00 0.00 H new ATOM 0 HA3 GLY A 548 -7.759 -2.574 -3.610 1.00 0.00 H new ATOM 592 N GLU A 549 -5.656 -0.858 -4.636 1.00 0.00 N ATOM 593 CA GLU A 549 -4.267 -0.603 -4.972 1.00 0.00 C ATOM 594 C GLU A 549 -3.540 0.060 -3.819 1.00 0.00 C ATOM 595 O GLU A 549 -4.122 0.797 -3.024 1.00 0.00 O ATOM 596 CB GLU A 549 -4.131 0.241 -6.242 1.00 0.00 C ATOM 597 CG GLU A 549 -4.496 1.697 -6.055 1.00 0.00 C ATOM 598 CD GLU A 549 -4.402 2.489 -7.344 1.00 0.00 C ATOM 599 OE1 GLU A 549 -4.247 1.874 -8.420 1.00 0.00 O ATOM 600 OE2 GLU A 549 -4.455 3.732 -7.290 1.00 0.00 O ATOM 0 H GLU A 549 -6.119 -0.108 -4.123 1.00 0.00 H new ATOM 0 HA GLU A 549 -3.805 -1.571 -5.166 1.00 0.00 H new ATOM 0 HB2 GLU A 549 -3.103 0.178 -6.600 1.00 0.00 H new ATOM 0 HB3 GLU A 549 -4.766 -0.185 -7.019 1.00 0.00 H new ATOM 0 HG2 GLU A 549 -5.511 1.766 -5.663 1.00 0.00 H new ATOM 0 HG3 GLU A 549 -3.835 2.141 -5.310 1.00 0.00 H new ATOM 607 N THR A 550 -2.265 -0.223 -3.756 1.00 0.00 N ATOM 608 CA THR A 550 -1.430 0.252 -2.673 1.00 0.00 C ATOM 609 C THR A 550 -0.513 1.372 -3.150 1.00 0.00 C ATOM 610 O THR A 550 0.158 1.246 -4.171 1.00 0.00 O ATOM 611 CB THR A 550 -0.594 -0.893 -2.093 1.00 0.00 C ATOM 612 OG1 THR A 550 -1.455 -1.891 -1.526 1.00 0.00 O ATOM 613 CG2 THR A 550 0.370 -0.382 -1.042 1.00 0.00 C ATOM 0 H THR A 550 -1.773 -0.787 -4.449 1.00 0.00 H new ATOM 0 HA THR A 550 -2.083 0.642 -1.892 1.00 0.00 H new ATOM 0 HB THR A 550 -0.014 -1.336 -2.902 1.00 0.00 H new ATOM 0 HG1 THR A 550 -1.531 -2.647 -2.144 1.00 0.00 H new ATOM 0 HG21 THR A 550 0.951 -1.215 -0.646 1.00 0.00 H new ATOM 0 HG22 THR A 550 1.042 0.350 -1.490 1.00 0.00 H new ATOM 0 HG23 THR A 550 -0.189 0.087 -0.233 1.00 0.00 H new ATOM 621 N TRP A 551 -0.555 2.488 -2.449 1.00 0.00 N ATOM 622 CA TRP A 551 0.271 3.627 -2.789 1.00 0.00 C ATOM 623 C TRP A 551 1.376 3.823 -1.759 1.00 0.00 C ATOM 624 O TRP A 551 1.219 3.517 -0.576 1.00 0.00 O ATOM 625 CB TRP A 551 -0.560 4.901 -2.891 1.00 0.00 C ATOM 626 CG TRP A 551 -1.122 5.121 -4.255 1.00 0.00 C ATOM 627 CD1 TRP A 551 -2.105 4.401 -4.852 1.00 0.00 C ATOM 628 CD2 TRP A 551 -0.728 6.127 -5.194 1.00 0.00 C ATOM 629 NE1 TRP A 551 -2.354 4.893 -6.108 1.00 0.00 N ATOM 630 CE2 TRP A 551 -1.521 5.955 -6.343 1.00 0.00 C ATOM 631 CE3 TRP A 551 0.217 7.157 -5.175 1.00 0.00 C ATOM 632 CZ2 TRP A 551 -1.398 6.774 -7.463 1.00 0.00 C ATOM 633 CZ3 TRP A 551 0.338 7.968 -6.287 1.00 0.00 C ATOM 634 CH2 TRP A 551 -0.465 7.773 -7.417 1.00 0.00 C ATOM 0 H TRP A 551 -1.156 2.629 -1.637 1.00 0.00 H new ATOM 0 HA TRP A 551 0.720 3.423 -3.761 1.00 0.00 H new ATOM 0 HB2 TRP A 551 -1.377 4.855 -2.170 1.00 0.00 H new ATOM 0 HB3 TRP A 551 0.059 5.755 -2.617 1.00 0.00 H new ATOM 0 HD1 TRP A 551 -2.617 3.562 -4.403 1.00 0.00 H new ATOM 0 HE1 TRP A 551 -3.047 4.527 -6.761 1.00 0.00 H new ATOM 0 HE3 TRP A 551 0.841 7.316 -4.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 -2.017 6.626 -8.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 1.065 8.767 -6.284 1.00 0.00 H new ATOM 0 HH2 TRP A 551 -0.345 8.425 -8.270 1.00 0.00 H new ATOM 645 N TYR A 552 2.481 4.345 -2.246 1.00 0.00 N ATOM 646 CA TYR A 552 3.636 4.631 -1.403 1.00 0.00 C ATOM 647 C TYR A 552 4.156 6.030 -1.663 1.00 0.00 C ATOM 648 O TYR A 552 3.997 6.570 -2.757 1.00 0.00 O ATOM 649 CB TYR A 552 4.756 3.609 -1.638 1.00 0.00 C ATOM 650 CG TYR A 552 4.885 2.575 -0.539 1.00 0.00 C ATOM 651 CD1 TYR A 552 5.392 2.926 0.705 1.00 0.00 C ATOM 652 CD2 TYR A 552 4.503 1.253 -0.740 1.00 0.00 C ATOM 653 CE1 TYR A 552 5.516 1.995 1.717 1.00 0.00 C ATOM 654 CE2 TYR A 552 4.623 0.313 0.271 1.00 0.00 C ATOM 655 CZ TYR A 552 5.132 0.691 1.496 1.00 0.00 C ATOM 656 OH TYR A 552 5.245 -0.233 2.510 1.00 0.00 O ATOM 0 H TYR A 552 2.610 4.584 -3.229 1.00 0.00 H new ATOM 0 HA TYR A 552 3.313 4.561 -0.364 1.00 0.00 H new ATOM 0 HB2 TYR A 552 4.576 3.099 -2.584 1.00 0.00 H new ATOM 0 HB3 TYR A 552 5.703 4.139 -1.737 1.00 0.00 H new ATOM 0 HD1 TYR A 552 5.695 3.947 0.884 1.00 0.00 H new ATOM 0 HD2 TYR A 552 4.107 0.954 -1.699 1.00 0.00 H new ATOM 0 HE1 TYR A 552 5.912 2.288 2.678 1.00 0.00 H new ATOM 0 HE2 TYR A 552 4.320 -0.710 0.101 1.00 0.00 H new ATOM 0 HH TYR A 552 4.352 -0.483 2.825 1.00 0.00 H new ATOM 666 N TYR A 553 4.770 6.627 -0.658 1.00 0.00 N ATOM 667 CA TYR A 553 5.298 7.971 -0.784 1.00 0.00 C ATOM 668 C TYR A 553 6.701 8.045 -0.201 1.00 0.00 C ATOM 669 O TYR A 553 6.937 7.599 0.924 1.00 0.00 O ATOM 670 CB TYR A 553 4.376 8.955 -0.054 1.00 0.00 C ATOM 671 CG TYR A 553 2.920 8.829 -0.452 1.00 0.00 C ATOM 672 CD1 TYR A 553 2.071 7.954 0.216 1.00 0.00 C ATOM 673 CD2 TYR A 553 2.398 9.573 -1.501 1.00 0.00 C ATOM 674 CE1 TYR A 553 0.747 7.826 -0.150 1.00 0.00 C ATOM 675 CE2 TYR A 553 1.073 9.451 -1.872 1.00 0.00 C ATOM 676 CZ TYR A 553 0.252 8.577 -1.194 1.00 0.00 C ATOM 677 OH TYR A 553 -1.070 8.454 -1.558 1.00 0.00 O ATOM 0 H TYR A 553 4.915 6.200 0.257 1.00 0.00 H new ATOM 0 HA TYR A 553 5.346 8.235 -1.840 1.00 0.00 H new ATOM 0 HB2 TYR A 553 4.466 8.795 1.021 1.00 0.00 H new ATOM 0 HB3 TYR A 553 4.712 9.972 -0.254 1.00 0.00 H new ATOM 0 HD1 TYR A 553 2.454 7.364 1.036 1.00 0.00 H new ATOM 0 HD2 TYR A 553 3.038 10.259 -2.036 1.00 0.00 H new ATOM 0 HE1 TYR A 553 0.102 7.141 0.379 1.00 0.00 H new ATOM 0 HE2 TYR A 553 0.682 10.038 -2.690 1.00 0.00 H new ATOM 0 HH TYR A 553 -1.607 8.233 -0.769 1.00 0.00 H new ATOM 687 N GLY A 554 7.626 8.587 -0.980 1.00 0.00 N ATOM 688 CA GLY A 554 8.978 8.776 -0.502 1.00 0.00 C ATOM 689 C GLY A 554 9.042 9.839 0.574 1.00 0.00 C ATOM 690 O GLY A 554 8.505 10.933 0.394 1.00 0.00 O ATOM 0 H GLY A 554 7.462 8.900 -1.937 1.00 0.00 H new ATOM 0 HA2 GLY A 554 9.361 7.834 -0.108 1.00 0.00 H new ATOM 0 HA3 GLY A 554 9.623 9.059 -1.334 1.00 0.00 H new ATOM 694 N PRO A 555 9.705 9.551 1.704 1.00 0.00 N ATOM 695 CA PRO A 555 9.760 10.470 2.847 1.00 0.00 C ATOM 696 C PRO A 555 10.632 11.691 2.574 1.00 0.00 C ATOM 697 O PRO A 555 10.679 12.626 3.371 1.00 0.00 O ATOM 698 CB PRO A 555 10.378 9.615 3.955 1.00 0.00 C ATOM 699 CG PRO A 555 11.195 8.596 3.237 1.00 0.00 C ATOM 700 CD PRO A 555 10.463 8.309 1.956 1.00 0.00 C ATOM 0 HA PRO A 555 8.777 10.873 3.092 1.00 0.00 H new ATOM 0 HB2 PRO A 555 10.994 10.217 4.623 1.00 0.00 H new ATOM 0 HB3 PRO A 555 9.609 9.145 4.568 1.00 0.00 H new ATOM 0 HG2 PRO A 555 12.199 8.970 3.038 1.00 0.00 H new ATOM 0 HG3 PRO A 555 11.305 7.691 3.835 1.00 0.00 H new ATOM 0 HD2 PRO A 555 11.152 8.088 1.141 1.00 0.00 H new ATOM 0 HD3 PRO A 555 9.801 7.449 2.056 1.00 0.00 H new ATOM 708 N CYS A 556 11.315 11.676 1.443 1.00 0.00 N ATOM 709 CA CYS A 556 12.259 12.725 1.107 1.00 0.00 C ATOM 710 C CYS A 556 12.172 13.070 -0.378 1.00 0.00 C ATOM 711 O CYS A 556 12.957 13.874 -0.886 1.00 0.00 O ATOM 712 CB CYS A 556 13.677 12.271 1.475 1.00 0.00 C ATOM 713 SG CYS A 556 14.953 13.546 1.325 1.00 0.00 S ATOM 0 H CYS A 556 11.232 10.943 0.738 1.00 0.00 H new ATOM 0 HA CYS A 556 12.014 13.623 1.674 1.00 0.00 H new ATOM 0 HB2 CYS A 556 13.670 11.905 2.502 1.00 0.00 H new ATOM 0 HB3 CYS A 556 13.949 11.429 0.838 1.00 0.00 H new ATOM 0 HG CYS A 556 14.710 14.283 0.282 1.00 0.00 H new ATOM 719 N GLY A 557 11.210 12.478 -1.079 1.00 0.00 N ATOM 720 CA GLY A 557 11.191 12.592 -2.521 1.00 0.00 C ATOM 721 C GLY A 557 9.809 12.407 -3.119 1.00 0.00 C ATOM 722 O GLY A 557 8.800 12.778 -2.513 1.00 0.00 O ATOM 0 H GLY A 557 10.451 11.927 -0.677 1.00 0.00 H new ATOM 0 HA2 GLY A 557 11.575 13.572 -2.806 1.00 0.00 H new ATOM 0 HA3 GLY A 557 11.866 11.849 -2.946 1.00 0.00 H new ATOM 726 N LYS A 558 9.783 11.816 -4.306 1.00 0.00 N ATOM 727 CA LYS A 558 8.540 11.625 -5.056 1.00 0.00 C ATOM 728 C LYS A 558 7.708 10.486 -4.465 1.00 0.00 C ATOM 729 O LYS A 558 8.078 9.902 -3.445 1.00 0.00 O ATOM 730 CB LYS A 558 8.823 11.364 -6.544 1.00 0.00 C ATOM 731 CG LYS A 558 9.345 9.970 -6.879 1.00 0.00 C ATOM 732 CD LYS A 558 10.823 9.820 -6.564 1.00 0.00 C ATOM 733 CE LYS A 558 11.480 8.788 -7.469 1.00 0.00 C ATOM 734 NZ LYS A 558 10.686 7.532 -7.560 1.00 0.00 N ATOM 0 H LYS A 558 10.613 11.457 -4.777 1.00 0.00 H new ATOM 0 HA LYS A 558 7.965 12.547 -4.974 1.00 0.00 H new ATOM 0 HB2 LYS A 558 7.904 11.534 -7.106 1.00 0.00 H new ATOM 0 HB3 LYS A 558 9.550 12.098 -6.892 1.00 0.00 H new ATOM 0 HG2 LYS A 558 8.778 9.227 -6.318 1.00 0.00 H new ATOM 0 HG3 LYS A 558 9.178 9.766 -7.937 1.00 0.00 H new ATOM 0 HD2 LYS A 558 11.322 10.782 -6.684 1.00 0.00 H new ATOM 0 HD3 LYS A 558 10.947 9.524 -5.522 1.00 0.00 H new ATOM 0 HE2 LYS A 558 11.605 9.209 -8.466 1.00 0.00 H new ATOM 0 HE3 LYS A 558 12.477 8.559 -7.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 558 11.326 6.728 -7.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 558 10.163 7.387 -6.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 558 10.013 7.603 -8.350 1.00 0.00 H new ATOM 748 N ARG A 559 6.593 10.157 -5.109 1.00 0.00 N ATOM 749 CA ARG A 559 5.754 9.073 -4.626 1.00 0.00 C ATOM 750 C ARG A 559 5.625 7.982 -5.679 1.00 0.00 C ATOM 751 O ARG A 559 5.558 8.257 -6.879 1.00 0.00 O ATOM 752 CB ARG A 559 4.371 9.579 -4.187 1.00 0.00 C ATOM 753 CG ARG A 559 3.318 9.650 -5.284 1.00 0.00 C ATOM 754 CD ARG A 559 3.563 10.789 -6.259 1.00 0.00 C ATOM 755 NE ARG A 559 2.427 10.964 -7.163 1.00 0.00 N ATOM 756 CZ ARG A 559 2.530 11.354 -8.432 1.00 0.00 C ATOM 757 NH1 ARG A 559 3.715 11.647 -8.952 1.00 0.00 N ATOM 758 NH2 ARG A 559 1.438 11.463 -9.178 1.00 0.00 N ATOM 0 H ARG A 559 6.255 10.619 -5.953 1.00 0.00 H new ATOM 0 HA ARG A 559 6.239 8.647 -3.748 1.00 0.00 H new ATOM 0 HB2 ARG A 559 4.001 8.929 -3.394 1.00 0.00 H new ATOM 0 HB3 ARG A 559 4.488 10.573 -3.755 1.00 0.00 H new ATOM 0 HG2 ARG A 559 3.304 8.707 -5.830 1.00 0.00 H new ATOM 0 HG3 ARG A 559 2.334 9.771 -4.830 1.00 0.00 H new ATOM 0 HD2 ARG A 559 3.738 11.713 -5.707 1.00 0.00 H new ATOM 0 HD3 ARG A 559 4.464 10.588 -6.838 1.00 0.00 H new ATOM 0 HE ARG A 559 1.494 10.775 -6.797 1.00 0.00 H new ATOM 0 HH11 ARG A 559 4.556 11.574 -8.379 1.00 0.00 H new ATOM 0 HH12 ARG A 559 3.785 11.945 -9.925 1.00 0.00 H new ATOM 0 HH21 ARG A 559 0.524 11.248 -8.779 1.00 0.00 H new ATOM 0 HH22 ARG A 559 1.512 11.761 -10.151 1.00 0.00 H new ATOM 772 N MET A 560 5.615 6.747 -5.216 1.00 0.00 N ATOM 773 CA MET A 560 5.587 5.603 -6.103 1.00 0.00 C ATOM 774 C MET A 560 4.448 4.666 -5.745 1.00 0.00 C ATOM 775 O MET A 560 4.083 4.540 -4.583 1.00 0.00 O ATOM 776 CB MET A 560 6.917 4.845 -6.043 1.00 0.00 C ATOM 777 CG MET A 560 8.132 5.675 -6.447 1.00 0.00 C ATOM 778 SD MET A 560 8.672 6.849 -5.186 1.00 0.00 S ATOM 779 CE MET A 560 8.849 5.774 -3.767 1.00 0.00 C ATOM 0 H MET A 560 5.626 6.511 -4.224 1.00 0.00 H new ATOM 0 HA MET A 560 5.430 5.971 -7.117 1.00 0.00 H new ATOM 0 HB2 MET A 560 7.065 4.475 -5.028 1.00 0.00 H new ATOM 0 HB3 MET A 560 6.854 3.973 -6.694 1.00 0.00 H new ATOM 0 HG2 MET A 560 8.958 5.002 -6.680 1.00 0.00 H new ATOM 0 HG3 MET A 560 7.898 6.221 -7.361 1.00 0.00 H new ATOM 0 HE1 MET A 560 9.641 6.152 -3.120 1.00 0.00 H new ATOM 0 HE2 MET A 560 7.911 5.745 -3.213 1.00 0.00 H new ATOM 0 HE3 MET A 560 9.103 4.768 -4.102 1.00 0.00 H new ATOM 789 N LYS A 561 3.887 4.007 -6.741 1.00 0.00 N ATOM 790 CA LYS A 561 2.863 3.008 -6.491 1.00 0.00 C ATOM 791 C LYS A 561 3.084 1.797 -7.392 1.00 0.00 C ATOM 792 O LYS A 561 2.278 0.868 -7.432 1.00 0.00 O ATOM 793 CB LYS A 561 1.463 3.594 -6.680 1.00 0.00 C ATOM 794 CG LYS A 561 1.180 4.138 -8.074 1.00 0.00 C ATOM 795 CD LYS A 561 0.446 3.129 -8.943 1.00 0.00 C ATOM 796 CE LYS A 561 -0.987 2.923 -8.478 1.00 0.00 C ATOM 797 NZ LYS A 561 -1.750 2.032 -9.394 1.00 0.00 N ATOM 0 H LYS A 561 4.120 4.143 -7.725 1.00 0.00 H new ATOM 0 HA LYS A 561 2.940 2.683 -5.453 1.00 0.00 H new ATOM 0 HB2 LYS A 561 0.728 2.823 -6.450 1.00 0.00 H new ATOM 0 HB3 LYS A 561 1.320 4.396 -5.956 1.00 0.00 H new ATOM 0 HG2 LYS A 561 0.585 5.048 -7.994 1.00 0.00 H new ATOM 0 HG3 LYS A 561 2.120 4.413 -8.553 1.00 0.00 H new ATOM 0 HD2 LYS A 561 0.447 3.471 -9.978 1.00 0.00 H new ATOM 0 HD3 LYS A 561 0.976 2.177 -8.922 1.00 0.00 H new ATOM 0 HE2 LYS A 561 -0.984 2.495 -7.476 1.00 0.00 H new ATOM 0 HE3 LYS A 561 -1.488 3.889 -8.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 -2.637 1.741 -8.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 -1.966 2.542 -10.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 -1.181 1.189 -9.612 1.00 0.00 H new ATOM 811 N GLN A 562 4.197 1.824 -8.103 1.00 0.00 N ATOM 812 CA GLN A 562 4.614 0.712 -8.934 1.00 0.00 C ATOM 813 C GLN A 562 5.886 0.120 -8.360 1.00 0.00 C ATOM 814 O GLN A 562 6.720 0.845 -7.812 1.00 0.00 O ATOM 815 CB GLN A 562 4.865 1.174 -10.371 1.00 0.00 C ATOM 816 CG GLN A 562 3.660 1.822 -11.039 1.00 0.00 C ATOM 817 CD GLN A 562 2.509 0.857 -11.276 1.00 0.00 C ATOM 818 OE1 GLN A 562 1.341 1.244 -11.246 1.00 0.00 O ATOM 819 NE2 GLN A 562 2.824 -0.401 -11.534 1.00 0.00 N ATOM 0 H GLN A 562 4.837 2.618 -8.120 1.00 0.00 H new ATOM 0 HA GLN A 562 3.823 -0.038 -8.948 1.00 0.00 H new ATOM 0 HB2 GLN A 562 5.692 1.884 -10.373 1.00 0.00 H new ATOM 0 HB3 GLN A 562 5.179 0.317 -10.967 1.00 0.00 H new ATOM 0 HG2 GLN A 562 3.310 2.647 -10.419 1.00 0.00 H new ATOM 0 HG3 GLN A 562 3.969 2.249 -11.993 1.00 0.00 H new ATOM 0 HE21 GLN A 562 3.802 -0.688 -11.551 1.00 0.00 H new ATOM 0 HE22 GLN A 562 2.089 -1.084 -11.716 1.00 0.00 H new ATOM 828 N PHE A 563 6.032 -1.187 -8.482 1.00 0.00 N ATOM 829 CA PHE A 563 7.224 -1.875 -8.004 1.00 0.00 C ATOM 830 C PHE A 563 8.496 -1.306 -8.653 1.00 0.00 C ATOM 831 O PHE A 563 9.450 -0.974 -7.947 1.00 0.00 O ATOM 832 CB PHE A 563 7.108 -3.378 -8.270 1.00 0.00 C ATOM 833 CG PHE A 563 8.195 -4.197 -7.631 1.00 0.00 C ATOM 834 CD1 PHE A 563 8.619 -3.927 -6.338 1.00 0.00 C ATOM 835 CD2 PHE A 563 8.790 -5.241 -8.320 1.00 0.00 C ATOM 836 CE1 PHE A 563 9.612 -4.682 -5.749 1.00 0.00 C ATOM 837 CE2 PHE A 563 9.783 -6.001 -7.733 1.00 0.00 C ATOM 838 CZ PHE A 563 10.194 -5.722 -6.446 1.00 0.00 C ATOM 0 H PHE A 563 5.337 -1.799 -8.910 1.00 0.00 H new ATOM 0 HA PHE A 563 7.301 -1.713 -6.929 1.00 0.00 H new ATOM 0 HB2 PHE A 563 6.142 -3.728 -7.906 1.00 0.00 H new ATOM 0 HB3 PHE A 563 7.124 -3.548 -9.346 1.00 0.00 H new ATOM 0 HD1 PHE A 563 8.166 -3.116 -5.786 1.00 0.00 H new ATOM 0 HD2 PHE A 563 8.474 -5.464 -9.328 1.00 0.00 H new ATOM 0 HE1 PHE A 563 9.934 -4.460 -4.742 1.00 0.00 H new ATOM 0 HE2 PHE A 563 10.237 -6.813 -8.281 1.00 0.00 H new ATOM 0 HZ PHE A 563 10.969 -6.316 -5.985 1.00 0.00 H new ATOM 848 N PRO A 564 8.529 -1.155 -10.000 1.00 0.00 N ATOM 849 CA PRO A 564 9.702 -0.620 -10.703 1.00 0.00 C ATOM 850 C PRO A 564 9.998 0.833 -10.334 1.00 0.00 C ATOM 851 O PRO A 564 11.090 1.332 -10.595 1.00 0.00 O ATOM 852 CB PRO A 564 9.325 -0.733 -12.181 1.00 0.00 C ATOM 853 CG PRO A 564 7.840 -0.758 -12.187 1.00 0.00 C ATOM 854 CD PRO A 564 7.448 -1.492 -10.945 1.00 0.00 C ATOM 0 HA PRO A 564 10.608 -1.166 -10.441 1.00 0.00 H new ATOM 0 HB2 PRO A 564 9.710 0.111 -12.754 1.00 0.00 H new ATOM 0 HB3 PRO A 564 9.739 -1.637 -12.628 1.00 0.00 H new ATOM 0 HG2 PRO A 564 7.430 0.252 -12.192 1.00 0.00 H new ATOM 0 HG3 PRO A 564 7.460 -1.260 -13.076 1.00 0.00 H new ATOM 0 HD2 PRO A 564 6.475 -1.168 -10.576 1.00 0.00 H new ATOM 0 HD3 PRO A 564 7.383 -2.567 -11.116 1.00 0.00 H new ATOM 862 N GLU A 565 9.044 1.501 -9.687 1.00 0.00 N ATOM 863 CA GLU A 565 9.247 2.868 -9.217 1.00 0.00 C ATOM 864 C GLU A 565 9.959 2.887 -7.873 1.00 0.00 C ATOM 865 O GLU A 565 10.642 3.853 -7.526 1.00 0.00 O ATOM 866 CB GLU A 565 7.918 3.608 -9.087 1.00 0.00 C ATOM 867 CG GLU A 565 7.296 4.027 -10.402 1.00 0.00 C ATOM 868 CD GLU A 565 6.146 4.991 -10.195 1.00 0.00 C ATOM 869 OE1 GLU A 565 5.092 4.571 -9.668 1.00 0.00 O ATOM 870 OE2 GLU A 565 6.300 6.183 -10.542 1.00 0.00 O ATOM 0 H GLU A 565 8.123 1.116 -9.477 1.00 0.00 H new ATOM 0 HA GLU A 565 9.868 3.371 -9.958 1.00 0.00 H new ATOM 0 HB2 GLU A 565 7.213 2.970 -8.554 1.00 0.00 H new ATOM 0 HB3 GLU A 565 8.071 4.496 -8.474 1.00 0.00 H new ATOM 0 HG2 GLU A 565 8.054 4.494 -11.031 1.00 0.00 H new ATOM 0 HG3 GLU A 565 6.940 3.145 -10.934 1.00 0.00 H new ATOM 877 N VAL A 566 9.770 1.836 -7.106 1.00 0.00 N ATOM 878 CA VAL A 566 10.400 1.743 -5.803 1.00 0.00 C ATOM 879 C VAL A 566 11.864 1.326 -5.941 1.00 0.00 C ATOM 880 O VAL A 566 12.747 1.919 -5.318 1.00 0.00 O ATOM 881 CB VAL A 566 9.631 0.789 -4.866 1.00 0.00 C ATOM 882 CG1 VAL A 566 10.418 0.532 -3.591 1.00 0.00 C ATOM 883 CG2 VAL A 566 8.257 1.370 -4.538 1.00 0.00 C ATOM 0 H VAL A 566 9.189 1.037 -7.358 1.00 0.00 H new ATOM 0 HA VAL A 566 10.370 2.733 -5.347 1.00 0.00 H new ATOM 0 HB VAL A 566 9.497 -0.164 -5.378 1.00 0.00 H new ATOM 0 HG11 VAL A 566 9.856 -0.143 -2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 566 11.378 0.080 -3.841 1.00 0.00 H new ATOM 0 HG13 VAL A 566 10.586 1.475 -3.071 1.00 0.00 H new ATOM 0 HG21 VAL A 566 7.722 0.689 -3.876 1.00 0.00 H new ATOM 0 HG22 VAL A 566 8.378 2.335 -4.045 1.00 0.00 H new ATOM 0 HG23 VAL A 566 7.689 1.502 -5.459 1.00 0.00 H new ATOM 893 N ILE A 567 12.115 0.327 -6.786 1.00 0.00 N ATOM 894 CA ILE A 567 13.476 -0.181 -7.013 1.00 0.00 C ATOM 895 C ILE A 567 14.405 0.928 -7.501 1.00 0.00 C ATOM 896 O ILE A 567 15.588 0.969 -7.155 1.00 0.00 O ATOM 897 CB ILE A 567 13.498 -1.324 -8.048 1.00 0.00 C ATOM 898 CG1 ILE A 567 12.308 -2.257 -7.844 1.00 0.00 C ATOM 899 CG2 ILE A 567 14.800 -2.107 -7.938 1.00 0.00 C ATOM 900 CD1 ILE A 567 12.226 -2.833 -6.454 1.00 0.00 C ATOM 0 H ILE A 567 11.395 -0.151 -7.328 1.00 0.00 H new ATOM 0 HA ILE A 567 13.824 -0.561 -6.052 1.00 0.00 H new ATOM 0 HB ILE A 567 13.429 -0.887 -9.044 1.00 0.00 H new ATOM 0 HG12 ILE A 567 11.389 -1.712 -8.057 1.00 0.00 H new ATOM 0 HG13 ILE A 567 12.369 -3.073 -8.564 1.00 0.00 H new ATOM 0 HG21 ILE A 567 14.804 -2.911 -8.674 1.00 0.00 H new ATOM 0 HG22 ILE A 567 15.642 -1.441 -8.124 1.00 0.00 H new ATOM 0 HG23 ILE A 567 14.887 -2.530 -6.937 1.00 0.00 H new ATOM 0 HD11 ILE A 567 11.356 -3.486 -6.382 1.00 0.00 H new ATOM 0 HD12 ILE A 567 13.129 -3.406 -6.244 1.00 0.00 H new ATOM 0 HD13 ILE A 567 12.133 -2.024 -5.730 1.00 0.00 H new ATOM 912 N LYS A 568 13.845 1.850 -8.269 1.00 0.00 N ATOM 913 CA LYS A 568 14.635 2.959 -8.777 1.00 0.00 C ATOM 914 C LYS A 568 14.932 3.959 -7.671 1.00 0.00 C ATOM 915 O LYS A 568 16.027 4.503 -7.603 1.00 0.00 O ATOM 916 CB LYS A 568 13.963 3.636 -9.973 1.00 0.00 C ATOM 917 CG LYS A 568 12.554 4.110 -9.700 1.00 0.00 C ATOM 918 CD LYS A 568 11.922 4.758 -10.923 1.00 0.00 C ATOM 919 CE LYS A 568 11.871 3.811 -12.110 1.00 0.00 C ATOM 920 NZ LYS A 568 11.172 4.419 -13.273 1.00 0.00 N ATOM 0 H LYS A 568 12.864 1.854 -8.550 1.00 0.00 H new ATOM 0 HA LYS A 568 15.582 2.553 -9.132 1.00 0.00 H new ATOM 0 HB2 LYS A 568 14.568 4.488 -10.282 1.00 0.00 H new ATOM 0 HB3 LYS A 568 13.945 2.938 -10.810 1.00 0.00 H new ATOM 0 HG2 LYS A 568 11.943 3.265 -9.381 1.00 0.00 H new ATOM 0 HG3 LYS A 568 12.565 4.824 -8.877 1.00 0.00 H new ATOM 0 HD2 LYS A 568 10.912 5.086 -10.678 1.00 0.00 H new ATOM 0 HD3 LYS A 568 12.489 5.649 -11.194 1.00 0.00 H new ATOM 0 HE2 LYS A 568 12.885 3.536 -12.399 1.00 0.00 H new ATOM 0 HE3 LYS A 568 11.362 2.892 -11.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 11.158 3.742 -14.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 10.196 4.659 -13.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 11.672 5.282 -13.566 1.00 0.00 H new ATOM 934 N TYR A 569 13.966 4.179 -6.781 1.00 0.00 N ATOM 935 CA TYR A 569 14.121 5.141 -5.699 1.00 0.00 C ATOM 936 C TYR A 569 15.261 4.711 -4.790 1.00 0.00 C ATOM 937 O TYR A 569 16.080 5.529 -4.370 1.00 0.00 O ATOM 938 CB TYR A 569 12.820 5.250 -4.895 1.00 0.00 C ATOM 939 CG TYR A 569 12.815 6.356 -3.856 1.00 0.00 C ATOM 940 CD1 TYR A 569 13.429 6.187 -2.621 1.00 0.00 C ATOM 941 CD2 TYR A 569 12.184 7.565 -4.113 1.00 0.00 C ATOM 942 CE1 TYR A 569 13.415 7.195 -1.672 1.00 0.00 C ATOM 943 CE2 TYR A 569 12.162 8.578 -3.173 1.00 0.00 C ATOM 944 CZ TYR A 569 12.779 8.388 -1.952 1.00 0.00 C ATOM 945 OH TYR A 569 12.757 9.394 -1.011 1.00 0.00 O ATOM 0 H TYR A 569 13.065 3.700 -6.791 1.00 0.00 H new ATOM 0 HA TYR A 569 14.351 6.118 -6.124 1.00 0.00 H new ATOM 0 HB2 TYR A 569 11.993 5.414 -5.586 1.00 0.00 H new ATOM 0 HB3 TYR A 569 12.635 4.299 -4.396 1.00 0.00 H new ATOM 0 HD1 TYR A 569 13.925 5.254 -2.398 1.00 0.00 H new ATOM 0 HD2 TYR A 569 11.700 7.717 -5.067 1.00 0.00 H new ATOM 0 HE1 TYR A 569 13.899 7.049 -0.718 1.00 0.00 H new ATOM 0 HE2 TYR A 569 11.666 9.512 -3.392 1.00 0.00 H new ATOM 0 HH TYR A 569 12.270 10.166 -1.368 1.00 0.00 H new ATOM 955 N LEU A 570 15.314 3.414 -4.518 1.00 0.00 N ATOM 956 CA LEU A 570 16.335 2.850 -3.650 1.00 0.00 C ATOM 957 C LEU A 570 17.710 2.969 -4.301 1.00 0.00 C ATOM 958 O LEU A 570 18.705 3.234 -3.635 1.00 0.00 O ATOM 959 CB LEU A 570 16.031 1.379 -3.368 1.00 0.00 C ATOM 960 CG LEU A 570 14.586 1.068 -2.975 1.00 0.00 C ATOM 961 CD1 LEU A 570 14.422 -0.412 -2.686 1.00 0.00 C ATOM 962 CD2 LEU A 570 14.159 1.899 -1.778 1.00 0.00 C ATOM 0 H LEU A 570 14.656 2.729 -4.890 1.00 0.00 H new ATOM 0 HA LEU A 570 16.335 3.405 -2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 570 16.281 0.798 -4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 570 16.688 1.037 -2.568 1.00 0.00 H new ATOM 0 HG LEU A 570 13.941 1.330 -3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 570 13.388 -0.616 -2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 570 14.679 -0.987 -3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 570 15.081 -0.698 -1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 570 13.128 1.660 -1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 570 14.808 1.677 -0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 570 14.234 2.958 -2.025 1.00 0.00 H new ATOM 974 N SER A 571 17.752 2.773 -5.608 1.00 0.00 N ATOM 975 CA SER A 571 19.000 2.836 -6.354 1.00 0.00 C ATOM 976 C SER A 571 19.506 4.279 -6.473 1.00 0.00 C ATOM 977 O SER A 571 20.711 4.522 -6.546 1.00 0.00 O ATOM 978 CB SER A 571 18.797 2.221 -7.744 1.00 0.00 C ATOM 979 OG SER A 571 19.986 2.265 -8.514 1.00 0.00 O ATOM 0 H SER A 571 16.932 2.568 -6.178 1.00 0.00 H new ATOM 0 HA SER A 571 19.756 2.267 -5.814 1.00 0.00 H new ATOM 0 HB2 SER A 571 18.468 1.187 -7.640 1.00 0.00 H new ATOM 0 HB3 SER A 571 18.004 2.756 -8.267 1.00 0.00 H new ATOM 0 HG SER A 571 19.822 1.864 -9.393 1.00 0.00 H new ATOM 985 N ARG A 572 18.581 5.230 -6.486 1.00 0.00 N ATOM 986 CA ARG A 572 18.928 6.635 -6.677 1.00 0.00 C ATOM 987 C ARG A 572 19.276 7.314 -5.354 1.00 0.00 C ATOM 988 O ARG A 572 20.172 8.158 -5.294 1.00 0.00 O ATOM 989 CB ARG A 572 17.768 7.365 -7.358 1.00 0.00 C ATOM 990 CG ARG A 572 17.448 6.818 -8.741 1.00 0.00 C ATOM 991 CD ARG A 572 16.113 7.324 -9.265 1.00 0.00 C ATOM 992 NE ARG A 572 16.073 8.780 -9.356 1.00 0.00 N ATOM 993 CZ ARG A 572 15.125 9.467 -9.991 1.00 0.00 C ATOM 994 NH1 ARG A 572 14.150 8.834 -10.636 1.00 0.00 N ATOM 995 NH2 ARG A 572 15.170 10.792 -9.999 1.00 0.00 N ATOM 0 H ARG A 572 17.583 5.055 -6.367 1.00 0.00 H new ATOM 0 HA ARG A 572 19.812 6.682 -7.313 1.00 0.00 H new ATOM 0 HB2 ARG A 572 16.880 7.290 -6.730 1.00 0.00 H new ATOM 0 HB3 ARG A 572 18.011 8.424 -7.440 1.00 0.00 H new ATOM 0 HG2 ARG A 572 18.240 7.102 -9.434 1.00 0.00 H new ATOM 0 HG3 ARG A 572 17.433 5.729 -8.704 1.00 0.00 H new ATOM 0 HD2 ARG A 572 15.925 6.895 -10.249 1.00 0.00 H new ATOM 0 HD3 ARG A 572 15.313 6.980 -8.609 1.00 0.00 H new ATOM 0 HE ARG A 572 16.820 9.306 -8.903 1.00 0.00 H new ATOM 0 HH11 ARG A 572 14.124 7.814 -10.647 1.00 0.00 H new ATOM 0 HH12 ARG A 572 13.428 9.368 -11.120 1.00 0.00 H new ATOM 0 HH21 ARG A 572 15.928 11.279 -9.521 1.00 0.00 H new ATOM 0 HH22 ARG A 572 14.447 11.324 -10.484 1.00 0.00 H new ATOM 1009 N ASN A 573 18.582 6.928 -4.294 1.00 0.00 N ATOM 1010 CA ASN A 573 18.756 7.562 -2.991 1.00 0.00 C ATOM 1011 C ASN A 573 19.471 6.622 -2.038 1.00 0.00 C ATOM 1012 O ASN A 573 19.652 5.446 -2.347 1.00 0.00 O ATOM 1013 CB ASN A 573 17.397 7.955 -2.409 1.00 0.00 C ATOM 1014 CG ASN A 573 16.671 8.977 -3.262 1.00 0.00 C ATOM 1015 OD1 ASN A 573 16.785 10.183 -3.038 1.00 0.00 O ATOM 1016 ND2 ASN A 573 15.931 8.503 -4.254 1.00 0.00 N ATOM 0 H ASN A 573 17.891 6.178 -4.308 1.00 0.00 H new ATOM 0 HA ASN A 573 19.360 8.460 -3.121 1.00 0.00 H new ATOM 0 HB2 ASN A 573 16.777 7.064 -2.310 1.00 0.00 H new ATOM 0 HB3 ASN A 573 17.538 8.359 -1.406 1.00 0.00 H new ATOM 0 HD21 ASN A 573 15.428 9.145 -4.867 1.00 0.00 H new ATOM 0 HD22 ASN A 573 15.864 7.496 -4.404 1.00 0.00 H new ATOM 1023 N VAL A 574 19.880 7.129 -0.886 1.00 0.00 N ATOM 1024 CA VAL A 574 20.542 6.291 0.099 1.00 0.00 C ATOM 1025 C VAL A 574 19.520 5.720 1.066 1.00 0.00 C ATOM 1026 O VAL A 574 18.856 6.458 1.797 1.00 0.00 O ATOM 1027 CB VAL A 574 21.616 7.071 0.889 1.00 0.00 C ATOM 1028 CG1 VAL A 574 22.327 6.162 1.882 1.00 0.00 C ATOM 1029 CG2 VAL A 574 22.616 7.715 -0.058 1.00 0.00 C ATOM 0 H VAL A 574 19.767 8.105 -0.612 1.00 0.00 H new ATOM 0 HA VAL A 574 21.038 5.483 -0.439 1.00 0.00 H new ATOM 0 HB VAL A 574 21.116 7.861 1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 574 23.078 6.734 2.426 1.00 0.00 H new ATOM 0 HG12 VAL A 574 21.602 5.754 2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 574 22.811 5.345 1.346 1.00 0.00 H new ATOM 0 HG21 VAL A 574 23.364 8.260 0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 574 23.106 6.942 -0.650 1.00 0.00 H new ATOM 0 HG23 VAL A 574 22.096 8.406 -0.722 1.00 0.00 H new ATOM 1039 N VAL A 575 19.396 4.402 1.064 1.00 0.00 N ATOM 1040 CA VAL A 575 18.458 3.714 1.935 1.00 0.00 C ATOM 1041 C VAL A 575 19.072 2.400 2.407 1.00 0.00 C ATOM 1042 O VAL A 575 19.547 1.603 1.598 1.00 0.00 O ATOM 1043 CB VAL A 575 17.111 3.410 1.229 1.00 0.00 C ATOM 1044 CG1 VAL A 575 16.087 2.909 2.230 1.00 0.00 C ATOM 1045 CG2 VAL A 575 16.564 4.627 0.501 1.00 0.00 C ATOM 0 H VAL A 575 19.939 3.783 0.462 1.00 0.00 H new ATOM 0 HA VAL A 575 18.255 4.375 2.778 1.00 0.00 H new ATOM 0 HB VAL A 575 17.305 2.634 0.488 1.00 0.00 H new ATOM 0 HG11 VAL A 575 15.148 2.701 1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 575 16.454 1.996 2.700 1.00 0.00 H new ATOM 0 HG13 VAL A 575 15.922 3.669 2.993 1.00 0.00 H new ATOM 0 HG21 VAL A 575 15.620 4.370 0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 575 16.400 5.435 1.215 1.00 0.00 H new ATOM 0 HG23 VAL A 575 17.279 4.951 -0.255 1.00 0.00 H new ATOM 1055 N HIS A 576 19.078 2.188 3.711 1.00 0.00 N ATOM 1056 CA HIS A 576 19.640 0.972 4.283 1.00 0.00 C ATOM 1057 C HIS A 576 18.654 0.298 5.233 1.00 0.00 C ATOM 1058 O HIS A 576 18.738 -0.907 5.475 1.00 0.00 O ATOM 1059 CB HIS A 576 20.965 1.276 5.003 1.00 0.00 C ATOM 1060 CG HIS A 576 20.936 2.511 5.860 1.00 0.00 C ATOM 1061 ND1 HIS A 576 21.671 3.627 5.532 1.00 0.00 N ATOM 1062 CD2 HIS A 576 20.253 2.755 7.004 1.00 0.00 C ATOM 1063 CE1 HIS A 576 21.419 4.518 6.476 1.00 0.00 C ATOM 1064 NE2 HIS A 576 20.566 4.034 7.389 1.00 0.00 N ATOM 0 H HIS A 576 18.700 2.842 4.397 1.00 0.00 H new ATOM 0 HA HIS A 576 19.840 0.280 3.465 1.00 0.00 H new ATOM 0 HB2 HIS A 576 21.230 0.422 5.626 1.00 0.00 H new ATOM 0 HB3 HIS A 576 21.753 1.384 4.258 1.00 0.00 H new ATOM 0 HD2 HIS A 576 19.589 2.073 7.515 1.00 0.00 H new ATOM 0 HE1 HIS A 576 21.846 5.509 6.507 1.00 0.00 H new ATOM 0 HE2 HIS A 576 20.216 4.523 8.213 1.00 0.00 H new ATOM 1072 N SER A 577 17.709 1.072 5.750 1.00 0.00 N ATOM 1073 CA SER A 577 16.732 0.553 6.696 1.00 0.00 C ATOM 1074 C SER A 577 15.706 -0.332 5.995 1.00 0.00 C ATOM 1075 O SER A 577 15.369 -1.416 6.471 1.00 0.00 O ATOM 1076 CB SER A 577 16.033 1.718 7.392 1.00 0.00 C ATOM 1077 OG SER A 577 15.540 2.654 6.446 1.00 0.00 O ATOM 0 H SER A 577 17.599 2.062 5.530 1.00 0.00 H new ATOM 0 HA SER A 577 17.251 -0.057 7.435 1.00 0.00 H new ATOM 0 HB2 SER A 577 15.210 1.342 8.000 1.00 0.00 H new ATOM 0 HB3 SER A 577 16.729 2.212 8.069 1.00 0.00 H new ATOM 0 HG SER A 577 15.095 3.390 6.916 1.00 0.00 H new ATOM 1083 N VAL A 578 15.232 0.136 4.854 1.00 0.00 N ATOM 1084 CA VAL A 578 14.219 -0.581 4.098 1.00 0.00 C ATOM 1085 C VAL A 578 14.678 -0.900 2.681 1.00 0.00 C ATOM 1086 O VAL A 578 15.298 -0.074 2.012 1.00 0.00 O ATOM 1087 CB VAL A 578 12.891 0.209 4.065 1.00 0.00 C ATOM 1088 CG1 VAL A 578 12.177 0.089 5.400 1.00 0.00 C ATOM 1089 CG2 VAL A 578 13.134 1.677 3.741 1.00 0.00 C ATOM 0 H VAL A 578 15.533 1.013 4.429 1.00 0.00 H new ATOM 0 HA VAL A 578 14.053 -1.528 4.612 1.00 0.00 H new ATOM 0 HB VAL A 578 12.265 -0.217 3.281 1.00 0.00 H new ATOM 0 HG11 VAL A 578 11.243 0.650 5.365 1.00 0.00 H new ATOM 0 HG12 VAL A 578 11.963 -0.960 5.605 1.00 0.00 H new ATOM 0 HG13 VAL A 578 12.812 0.491 6.190 1.00 0.00 H new ATOM 0 HG21 VAL A 578 12.182 2.208 3.724 1.00 0.00 H new ATOM 0 HG22 VAL A 578 13.781 2.115 4.501 1.00 0.00 H new ATOM 0 HG23 VAL A 578 13.613 1.760 2.765 1.00 0.00 H new ATOM 1099 N ARG A 579 14.410 -2.124 2.244 1.00 0.00 N ATOM 1100 CA ARG A 579 14.721 -2.551 0.887 1.00 0.00 C ATOM 1101 C ARG A 579 13.417 -2.818 0.158 1.00 0.00 C ATOM 1102 O ARG A 579 12.353 -2.715 0.763 1.00 0.00 O ATOM 1103 CB ARG A 579 15.594 -3.808 0.872 1.00 0.00 C ATOM 1104 CG ARG A 579 16.772 -3.757 1.831 1.00 0.00 C ATOM 1105 CD ARG A 579 17.537 -2.447 1.719 1.00 0.00 C ATOM 1106 NE ARG A 579 18.152 -2.254 0.406 1.00 0.00 N ATOM 1107 CZ ARG A 579 18.167 -1.088 -0.245 1.00 0.00 C ATOM 1108 NH1 ARG A 579 17.486 -0.047 0.220 1.00 0.00 N ATOM 1109 NH2 ARG A 579 18.839 -0.969 -1.380 1.00 0.00 N ATOM 0 H ARG A 579 13.973 -2.845 2.818 1.00 0.00 H new ATOM 0 HA ARG A 579 15.285 -1.761 0.391 1.00 0.00 H new ATOM 0 HB2 ARG A 579 14.975 -4.670 1.120 1.00 0.00 H new ATOM 0 HB3 ARG A 579 15.969 -3.965 -0.139 1.00 0.00 H new ATOM 0 HG2 ARG A 579 16.414 -3.882 2.853 1.00 0.00 H new ATOM 0 HG3 ARG A 579 17.445 -4.589 1.624 1.00 0.00 H new ATOM 0 HD2 ARG A 579 16.859 -1.618 1.922 1.00 0.00 H new ATOM 0 HD3 ARG A 579 18.312 -2.419 2.485 1.00 0.00 H new ATOM 0 HE ARG A 579 18.596 -3.058 -0.039 1.00 0.00 H new ATOM 0 HH11 ARG A 579 16.946 -0.134 1.081 1.00 0.00 H new ATOM 0 HH12 ARG A 579 17.503 0.840 -0.284 1.00 0.00 H new ATOM 0 HH21 ARG A 579 19.346 -1.769 -1.759 1.00 0.00 H new ATOM 0 HH22 ARG A 579 18.849 -0.078 -1.876 1.00 0.00 H new ATOM 1123 N ARG A 580 13.483 -3.162 -1.128 1.00 0.00 N ATOM 1124 CA ARG A 580 12.286 -3.351 -1.937 1.00 0.00 C ATOM 1125 C ARG A 580 11.307 -4.340 -1.294 1.00 0.00 C ATOM 1126 O ARG A 580 10.097 -4.205 -1.453 1.00 0.00 O ATOM 1127 CB ARG A 580 12.648 -3.807 -3.351 1.00 0.00 C ATOM 1128 CG ARG A 580 13.259 -5.193 -3.431 1.00 0.00 C ATOM 1129 CD ARG A 580 14.773 -5.164 -3.377 1.00 0.00 C ATOM 1130 NE ARG A 580 15.330 -6.516 -3.408 1.00 0.00 N ATOM 1131 CZ ARG A 580 16.576 -6.827 -3.053 1.00 0.00 C ATOM 1132 NH1 ARG A 580 17.421 -5.882 -2.664 1.00 0.00 N ATOM 1133 NH2 ARG A 580 16.980 -8.090 -3.097 1.00 0.00 N ATOM 0 H ARG A 580 14.357 -3.315 -1.630 1.00 0.00 H new ATOM 0 HA ARG A 580 11.787 -2.384 -1.996 1.00 0.00 H new ATOM 0 HB2 ARG A 580 11.749 -3.785 -3.967 1.00 0.00 H new ATOM 0 HB3 ARG A 580 13.348 -3.091 -3.782 1.00 0.00 H new ATOM 0 HG2 ARG A 580 12.881 -5.801 -2.609 1.00 0.00 H new ATOM 0 HG3 ARG A 580 12.941 -5.674 -4.356 1.00 0.00 H new ATOM 0 HD2 ARG A 580 15.158 -4.590 -4.219 1.00 0.00 H new ATOM 0 HD3 ARG A 580 15.097 -4.655 -2.469 1.00 0.00 H new ATOM 0 HE ARG A 580 14.723 -7.273 -3.723 1.00 0.00 H new ATOM 0 HH11 ARG A 580 17.119 -4.908 -2.635 1.00 0.00 H new ATOM 0 HH12 ARG A 580 18.373 -6.129 -2.394 1.00 0.00 H new ATOM 0 HH21 ARG A 580 16.337 -8.821 -3.402 1.00 0.00 H new ATOM 0 HH22 ARG A 580 17.933 -8.330 -2.826 1.00 0.00 H new ATOM 1147 N GLU A 581 11.829 -5.331 -0.568 1.00 0.00 N ATOM 1148 CA GLU A 581 11.008 -6.324 0.125 1.00 0.00 C ATOM 1149 C GLU A 581 10.080 -5.715 1.175 1.00 0.00 C ATOM 1150 O GLU A 581 9.001 -6.243 1.432 1.00 0.00 O ATOM 1151 CB GLU A 581 11.919 -7.361 0.773 1.00 0.00 C ATOM 1152 CG GLU A 581 12.883 -6.771 1.787 1.00 0.00 C ATOM 1153 CD GLU A 581 14.086 -7.656 2.008 1.00 0.00 C ATOM 1154 OE1 GLU A 581 15.011 -7.612 1.175 1.00 0.00 O ATOM 1155 OE2 GLU A 581 14.109 -8.412 2.998 1.00 0.00 O ATOM 0 H GLU A 581 12.832 -5.467 -0.445 1.00 0.00 H new ATOM 0 HA GLU A 581 10.364 -6.788 -0.621 1.00 0.00 H new ATOM 0 HB2 GLU A 581 11.305 -8.116 1.264 1.00 0.00 H new ATOM 0 HB3 GLU A 581 12.489 -7.869 -0.005 1.00 0.00 H new ATOM 0 HG2 GLU A 581 13.213 -5.790 1.445 1.00 0.00 H new ATOM 0 HG3 GLU A 581 12.365 -6.621 2.734 1.00 0.00 H new ATOM 1162 N HIS A 582 10.494 -4.606 1.764 1.00 0.00 N ATOM 1163 CA HIS A 582 9.713 -3.946 2.805 1.00 0.00 C ATOM 1164 C HIS A 582 8.503 -3.240 2.199 1.00 0.00 C ATOM 1165 O HIS A 582 7.602 -2.786 2.901 1.00 0.00 O ATOM 1166 CB HIS A 582 10.587 -2.967 3.590 1.00 0.00 C ATOM 1167 CG HIS A 582 11.609 -3.649 4.449 1.00 0.00 C ATOM 1168 ND1 HIS A 582 12.948 -3.611 4.146 1.00 0.00 N ATOM 1169 CD2 HIS A 582 11.434 -4.369 5.585 1.00 0.00 C ATOM 1170 CE1 HIS A 582 13.553 -4.301 5.097 1.00 0.00 C ATOM 1171 NE2 HIS A 582 12.677 -4.780 5.990 1.00 0.00 N ATOM 0 H HIS A 582 11.372 -4.139 1.539 1.00 0.00 H new ATOM 0 HA HIS A 582 9.348 -4.703 3.500 1.00 0.00 H new ATOM 0 HB2 HIS A 582 11.094 -2.301 2.891 1.00 0.00 H new ATOM 0 HB3 HIS A 582 9.950 -2.344 4.218 1.00 0.00 H new ATOM 0 HD2 HIS A 582 10.495 -4.578 6.076 1.00 0.00 H new ATOM 0 HE1 HIS A 582 14.620 -4.459 5.148 1.00 0.00 H new ATOM 0 HE2 HIS A 582 12.893 -5.342 6.813 1.00 0.00 H new ATOM 1179 N PHE A 583 8.501 -3.154 0.883 1.00 0.00 N ATOM 1180 CA PHE A 583 7.430 -2.499 0.158 1.00 0.00 C ATOM 1181 C PHE A 583 6.583 -3.543 -0.554 1.00 0.00 C ATOM 1182 O PHE A 583 7.101 -4.370 -1.306 1.00 0.00 O ATOM 1183 CB PHE A 583 7.995 -1.497 -0.849 1.00 0.00 C ATOM 1184 CG PHE A 583 8.942 -0.505 -0.238 1.00 0.00 C ATOM 1185 CD1 PHE A 583 8.476 0.547 0.527 1.00 0.00 C ATOM 1186 CD2 PHE A 583 10.303 -0.629 -0.435 1.00 0.00 C ATOM 1187 CE1 PHE A 583 9.354 1.456 1.084 1.00 0.00 C ATOM 1188 CE2 PHE A 583 11.188 0.274 0.115 1.00 0.00 C ATOM 1189 CZ PHE A 583 10.712 1.319 0.877 1.00 0.00 C ATOM 0 H PHE A 583 9.238 -3.534 0.289 1.00 0.00 H new ATOM 0 HA PHE A 583 6.807 -1.953 0.866 1.00 0.00 H new ATOM 0 HB2 PHE A 583 8.511 -2.041 -1.640 1.00 0.00 H new ATOM 0 HB3 PHE A 583 7.170 -0.960 -1.317 1.00 0.00 H new ATOM 0 HD1 PHE A 583 7.414 0.660 0.691 1.00 0.00 H new ATOM 0 HD2 PHE A 583 10.681 -1.447 -1.030 1.00 0.00 H new ATOM 0 HE1 PHE A 583 8.978 2.274 1.681 1.00 0.00 H new ATOM 0 HE2 PHE A 583 12.249 0.163 -0.051 1.00 0.00 H new ATOM 0 HZ PHE A 583 11.400 2.029 1.311 1.00 0.00 H new ATOM 1199 N SER A 584 5.284 -3.524 -0.307 1.00 0.00 N ATOM 1200 CA SER A 584 4.376 -4.481 -0.910 1.00 0.00 C ATOM 1201 C SER A 584 3.133 -3.740 -1.372 1.00 0.00 C ATOM 1202 O SER A 584 2.582 -2.930 -0.626 1.00 0.00 O ATOM 1203 CB SER A 584 4.002 -5.570 0.096 1.00 0.00 C ATOM 1204 OG SER A 584 5.158 -6.207 0.606 1.00 0.00 O ATOM 0 H SER A 584 4.833 -2.850 0.312 1.00 0.00 H new ATOM 0 HA SER A 584 4.859 -4.962 -1.761 1.00 0.00 H new ATOM 0 HB2 SER A 584 3.432 -5.133 0.916 1.00 0.00 H new ATOM 0 HB3 SER A 584 3.358 -6.307 -0.383 1.00 0.00 H new ATOM 0 HG SER A 584 5.385 -6.974 0.040 1.00 0.00 H new ATOM 1210 N PHE A 585 2.697 -3.997 -2.593 1.00 0.00 N ATOM 1211 CA PHE A 585 1.554 -3.283 -3.135 1.00 0.00 C ATOM 1212 C PHE A 585 0.296 -4.139 -3.117 1.00 0.00 C ATOM 1213 O PHE A 585 -0.772 -3.704 -3.556 1.00 0.00 O ATOM 1214 CB PHE A 585 1.851 -2.784 -4.545 1.00 0.00 C ATOM 1215 CG PHE A 585 2.830 -1.646 -4.574 1.00 0.00 C ATOM 1216 CD1 PHE A 585 2.490 -0.429 -4.017 1.00 0.00 C ATOM 1217 CD2 PHE A 585 4.078 -1.785 -5.159 1.00 0.00 C ATOM 1218 CE1 PHE A 585 3.367 0.632 -4.039 1.00 0.00 C ATOM 1219 CE2 PHE A 585 4.964 -0.723 -5.182 1.00 0.00 C ATOM 1220 CZ PHE A 585 4.604 0.487 -4.621 1.00 0.00 C ATOM 0 H PHE A 585 3.111 -4.686 -3.221 1.00 0.00 H new ATOM 0 HA PHE A 585 1.370 -2.420 -2.494 1.00 0.00 H new ATOM 0 HB2 PHE A 585 2.244 -3.608 -5.140 1.00 0.00 H new ATOM 0 HB3 PHE A 585 0.920 -2.467 -5.015 1.00 0.00 H new ATOM 0 HD1 PHE A 585 1.521 -0.308 -3.557 1.00 0.00 H new ATOM 0 HD2 PHE A 585 4.361 -2.729 -5.600 1.00 0.00 H new ATOM 0 HE1 PHE A 585 3.084 1.577 -3.600 1.00 0.00 H new ATOM 0 HE2 PHE A 585 5.936 -0.840 -5.638 1.00 0.00 H new ATOM 0 HZ PHE A 585 5.294 1.318 -4.640 1.00 0.00 H new ATOM 1230 N SER A 586 0.425 -5.353 -2.612 1.00 0.00 N ATOM 1231 CA SER A 586 -0.723 -6.217 -2.399 1.00 0.00 C ATOM 1232 C SER A 586 -1.702 -5.579 -1.412 1.00 0.00 C ATOM 1233 O SER A 586 -1.348 -5.316 -0.262 1.00 0.00 O ATOM 1234 CB SER A 586 -0.249 -7.566 -1.864 1.00 0.00 C ATOM 1235 OG SER A 586 0.693 -8.152 -2.743 1.00 0.00 O ATOM 0 H SER A 586 1.318 -5.765 -2.341 1.00 0.00 H new ATOM 0 HA SER A 586 -1.238 -6.361 -3.349 1.00 0.00 H new ATOM 0 HB2 SER A 586 0.199 -7.435 -0.879 1.00 0.00 H new ATOM 0 HB3 SER A 586 -1.102 -8.233 -1.740 1.00 0.00 H new ATOM 0 HG SER A 586 0.985 -9.015 -2.381 1.00 0.00 H new ATOM 1241 N PRO A 587 -2.952 -5.325 -1.844 1.00 0.00 N ATOM 1242 CA PRO A 587 -3.977 -4.709 -0.990 1.00 0.00 C ATOM 1243 C PRO A 587 -4.519 -5.682 0.048 1.00 0.00 C ATOM 1244 O PRO A 587 -5.507 -5.402 0.721 1.00 0.00 O ATOM 1245 CB PRO A 587 -5.072 -4.333 -1.982 1.00 0.00 C ATOM 1246 CG PRO A 587 -4.955 -5.363 -3.046 1.00 0.00 C ATOM 1247 CD PRO A 587 -3.476 -5.607 -3.198 1.00 0.00 C ATOM 0 HA PRO A 587 -3.586 -3.867 -0.419 1.00 0.00 H new ATOM 0 HB2 PRO A 587 -6.057 -4.350 -1.516 1.00 0.00 H new ATOM 0 HB3 PRO A 587 -4.924 -3.329 -2.379 1.00 0.00 H new ATOM 0 HG2 PRO A 587 -5.479 -6.278 -2.768 1.00 0.00 H new ATOM 0 HG3 PRO A 587 -5.395 -5.015 -3.981 1.00 0.00 H new ATOM 0 HD2 PRO A 587 -3.265 -6.631 -3.507 1.00 0.00 H new ATOM 0 HD3 PRO A 587 -3.033 -4.950 -3.947 1.00 0.00 H new ATOM 1255 N ARG A 588 -3.867 -6.830 0.173 1.00 0.00 N ATOM 1256 CA ARG A 588 -4.233 -7.827 1.156 1.00 0.00 C ATOM 1257 C ARG A 588 -3.308 -7.699 2.356 1.00 0.00 C ATOM 1258 O ARG A 588 -3.392 -8.462 3.314 1.00 0.00 O ATOM 1259 CB ARG A 588 -4.137 -9.231 0.549 1.00 0.00 C ATOM 1260 CG ARG A 588 -4.847 -9.354 -0.792 1.00 0.00 C ATOM 1261 CD ARG A 588 -5.012 -10.801 -1.221 1.00 0.00 C ATOM 1262 NE ARG A 588 -3.741 -11.469 -1.491 1.00 0.00 N ATOM 1263 CZ ARG A 588 -3.638 -12.760 -1.814 1.00 0.00 C ATOM 1264 NH1 ARG A 588 -4.729 -13.518 -1.885 1.00 0.00 N ATOM 1265 NH2 ARG A 588 -2.445 -13.294 -2.058 1.00 0.00 N ATOM 0 H ARG A 588 -3.070 -7.091 -0.407 1.00 0.00 H new ATOM 0 HA ARG A 588 -5.263 -7.668 1.475 1.00 0.00 H new ATOM 0 HB2 ARG A 588 -3.087 -9.494 0.422 1.00 0.00 H new ATOM 0 HB3 ARG A 588 -4.564 -9.951 1.247 1.00 0.00 H new ATOM 0 HG2 ARG A 588 -5.827 -8.882 -0.727 1.00 0.00 H new ATOM 0 HG3 ARG A 588 -4.282 -8.813 -1.552 1.00 0.00 H new ATOM 0 HD2 ARG A 588 -5.543 -11.346 -0.441 1.00 0.00 H new ATOM 0 HD3 ARG A 588 -5.633 -10.839 -2.116 1.00 0.00 H new ATOM 0 HE ARG A 588 -2.885 -10.918 -1.429 1.00 0.00 H new ATOM 0 HH11 ARG A 588 -5.645 -13.113 -1.693 1.00 0.00 H new ATOM 0 HH12 ARG A 588 -4.649 -14.504 -2.132 1.00 0.00 H new ATOM 0 HH21 ARG A 588 -1.606 -12.717 -1.999 1.00 0.00 H new ATOM 0 HH22 ARG A 588 -2.369 -14.281 -2.305 1.00 0.00 H new ATOM 1279 N MET A 589 -2.417 -6.720 2.273 1.00 0.00 N ATOM 1280 CA MET A 589 -1.486 -6.430 3.350 1.00 0.00 C ATOM 1281 C MET A 589 -2.059 -5.359 4.279 1.00 0.00 C ATOM 1282 O MET A 589 -2.078 -4.172 3.940 1.00 0.00 O ATOM 1283 CB MET A 589 -0.146 -5.974 2.772 1.00 0.00 C ATOM 1284 CG MET A 589 0.937 -5.821 3.813 1.00 0.00 C ATOM 1285 SD MET A 589 1.324 -7.363 4.667 1.00 0.00 S ATOM 1286 CE MET A 589 2.052 -8.325 3.340 1.00 0.00 C ATOM 0 H MET A 589 -2.321 -6.109 1.462 1.00 0.00 H new ATOM 0 HA MET A 589 -1.328 -7.338 3.932 1.00 0.00 H new ATOM 0 HB2 MET A 589 0.181 -6.694 2.022 1.00 0.00 H new ATOM 0 HB3 MET A 589 -0.285 -5.021 2.261 1.00 0.00 H new ATOM 0 HG2 MET A 589 1.840 -5.441 3.335 1.00 0.00 H new ATOM 0 HG3 MET A 589 0.626 -5.076 4.545 1.00 0.00 H new ATOM 0 HE1 MET A 589 2.531 -9.212 3.754 1.00 0.00 H new ATOM 0 HE2 MET A 589 1.273 -8.627 2.640 1.00 0.00 H new ATOM 0 HE3 MET A 589 2.795 -7.722 2.818 1.00 0.00 H new ATOM 1296 N PRO A 590 -2.522 -5.766 5.468 1.00 0.00 N ATOM 1297 CA PRO A 590 -3.199 -4.876 6.416 1.00 0.00 C ATOM 1298 C PRO A 590 -2.230 -4.060 7.265 1.00 0.00 C ATOM 1299 O PRO A 590 -2.233 -4.149 8.492 1.00 0.00 O ATOM 1300 CB PRO A 590 -3.976 -5.856 7.289 1.00 0.00 C ATOM 1301 CG PRO A 590 -3.135 -7.087 7.315 1.00 0.00 C ATOM 1302 CD PRO A 590 -2.420 -7.145 5.991 1.00 0.00 C ATOM 0 HA PRO A 590 -3.813 -4.130 5.912 1.00 0.00 H new ATOM 0 HB2 PRO A 590 -4.128 -5.458 8.293 1.00 0.00 H new ATOM 0 HB3 PRO A 590 -4.963 -6.059 6.874 1.00 0.00 H new ATOM 0 HG2 PRO A 590 -2.423 -7.053 8.139 1.00 0.00 H new ATOM 0 HG3 PRO A 590 -3.751 -7.974 7.463 1.00 0.00 H new ATOM 0 HD2 PRO A 590 -1.381 -7.450 6.112 1.00 0.00 H new ATOM 0 HD3 PRO A 590 -2.887 -7.863 5.317 1.00 0.00 H new ATOM 1310 N VAL A 591 -1.417 -3.244 6.615 1.00 0.00 N ATOM 1311 CA VAL A 591 -0.362 -2.539 7.321 1.00 0.00 C ATOM 1312 C VAL A 591 -0.685 -1.075 7.616 1.00 0.00 C ATOM 1313 O VAL A 591 -0.924 -0.735 8.773 1.00 0.00 O ATOM 1314 CB VAL A 591 0.973 -2.678 6.581 1.00 0.00 C ATOM 1315 CG1 VAL A 591 2.047 -1.838 7.238 1.00 0.00 C ATOM 1316 CG2 VAL A 591 1.369 -4.135 6.580 1.00 0.00 C ATOM 0 H VAL A 591 -1.466 -3.055 5.614 1.00 0.00 H new ATOM 0 HA VAL A 591 -0.278 -3.019 8.296 1.00 0.00 H new ATOM 0 HB VAL A 591 0.860 -2.321 5.557 1.00 0.00 H new ATOM 0 HG11 VAL A 591 2.984 -1.955 6.694 1.00 0.00 H new ATOM 0 HG12 VAL A 591 1.748 -0.790 7.225 1.00 0.00 H new ATOM 0 HG13 VAL A 591 2.184 -2.164 8.269 1.00 0.00 H new ATOM 0 HG21 VAL A 591 2.318 -4.254 6.057 1.00 0.00 H new ATOM 0 HG22 VAL A 591 1.475 -4.484 7.607 1.00 0.00 H new ATOM 0 HG23 VAL A 591 0.601 -4.721 6.075 1.00 0.00 H new ATOM 1326 N GLY A 592 -0.708 -0.197 6.614 1.00 0.00 N ATOM 1327 CA GLY A 592 -0.884 1.212 6.891 1.00 0.00 C ATOM 1328 C GLY A 592 -2.330 1.621 6.840 1.00 0.00 C ATOM 1329 O GLY A 592 -3.151 1.135 7.618 1.00 0.00 O ATOM 0 H GLY A 592 -0.609 -0.437 5.628 1.00 0.00 H new ATOM 0 HA2 GLY A 592 -0.477 1.441 7.876 1.00 0.00 H new ATOM 0 HA3 GLY A 592 -0.316 1.797 6.168 1.00 0.00 H new ATOM 1333 N ASP A 593 -2.655 2.482 5.895 1.00 0.00 N ATOM 1334 CA ASP A 593 -3.987 3.020 5.805 1.00 0.00 C ATOM 1335 C ASP A 593 -4.775 2.357 4.686 1.00 0.00 C ATOM 1336 O ASP A 593 -4.248 2.069 3.615 1.00 0.00 O ATOM 1337 CB ASP A 593 -3.940 4.536 5.603 1.00 0.00 C ATOM 1338 CG ASP A 593 -3.279 5.265 6.759 1.00 0.00 C ATOM 1339 OD1 ASP A 593 -3.967 5.554 7.760 1.00 0.00 O ATOM 1340 OD2 ASP A 593 -2.066 5.560 6.669 1.00 0.00 O ATOM 0 H ASP A 593 -2.010 2.821 5.181 1.00 0.00 H new ATOM 0 HA ASP A 593 -4.498 2.809 6.744 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -3.400 4.758 4.683 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -4.955 4.912 5.475 1.00 0.00 H new ATOM 1345 N PHE A 594 -6.022 2.096 4.989 1.00 0.00 N ATOM 1346 CA PHE A 594 -6.971 1.519 4.035 1.00 0.00 C ATOM 1347 C PHE A 594 -8.160 2.440 3.825 1.00 0.00 C ATOM 1348 O PHE A 594 -8.730 2.952 4.786 1.00 0.00 O ATOM 1349 CB PHE A 594 -7.463 0.152 4.510 1.00 0.00 C ATOM 1350 CG PHE A 594 -6.602 -0.999 4.076 1.00 0.00 C ATOM 1351 CD1 PHE A 594 -5.382 -1.247 4.679 1.00 0.00 C ATOM 1352 CD2 PHE A 594 -7.027 -1.844 3.065 1.00 0.00 C ATOM 1353 CE1 PHE A 594 -4.602 -2.315 4.281 1.00 0.00 C ATOM 1354 CE2 PHE A 594 -6.252 -2.913 2.661 1.00 0.00 C ATOM 1355 CZ PHE A 594 -5.037 -3.149 3.270 1.00 0.00 C ATOM 0 H PHE A 594 -6.423 2.275 5.910 1.00 0.00 H new ATOM 0 HA PHE A 594 -6.446 1.397 3.088 1.00 0.00 H new ATOM 0 HB2 PHE A 594 -7.520 0.158 5.598 1.00 0.00 H new ATOM 0 HB3 PHE A 594 -8.475 -0.006 4.138 1.00 0.00 H new ATOM 0 HD1 PHE A 594 -5.036 -0.598 5.470 1.00 0.00 H new ATOM 0 HD2 PHE A 594 -7.978 -1.665 2.586 1.00 0.00 H new ATOM 0 HE1 PHE A 594 -3.652 -2.498 4.761 1.00 0.00 H new ATOM 0 HE2 PHE A 594 -6.596 -3.563 1.870 1.00 0.00 H new ATOM 0 HZ PHE A 594 -4.428 -3.984 2.957 1.00 0.00 H new ATOM 1365 N PHE A 595 -8.520 2.669 2.568 1.00 0.00 N ATOM 1366 CA PHE A 595 -9.659 3.513 2.242 1.00 0.00 C ATOM 1367 C PHE A 595 -10.585 2.811 1.256 1.00 0.00 C ATOM 1368 O PHE A 595 -10.151 1.970 0.471 1.00 0.00 O ATOM 1369 CB PHE A 595 -9.178 4.838 1.638 1.00 0.00 C ATOM 1370 CG PHE A 595 -8.060 5.477 2.410 1.00 0.00 C ATOM 1371 CD1 PHE A 595 -6.743 5.146 2.138 1.00 0.00 C ATOM 1372 CD2 PHE A 595 -8.322 6.393 3.416 1.00 0.00 C ATOM 1373 CE1 PHE A 595 -5.712 5.713 2.851 1.00 0.00 C ATOM 1374 CE2 PHE A 595 -7.288 6.966 4.131 1.00 0.00 C ATOM 1375 CZ PHE A 595 -5.981 6.622 3.846 1.00 0.00 C ATOM 0 H PHE A 595 -8.038 2.281 1.758 1.00 0.00 H new ATOM 0 HA PHE A 595 -10.210 3.712 3.161 1.00 0.00 H new ATOM 0 HB2 PHE A 595 -8.848 4.663 0.614 1.00 0.00 H new ATOM 0 HB3 PHE A 595 -10.017 5.532 1.588 1.00 0.00 H new ATOM 0 HD1 PHE A 595 -6.523 4.434 1.356 1.00 0.00 H new ATOM 0 HD2 PHE A 595 -9.343 6.661 3.643 1.00 0.00 H new ATOM 0 HE1 PHE A 595 -4.690 5.443 2.629 1.00 0.00 H new ATOM 0 HE2 PHE A 595 -7.501 7.682 4.911 1.00 0.00 H new ATOM 0 HZ PHE A 595 -5.171 7.067 4.405 1.00 0.00 H new ATOM 1385 N GLU A 596 -11.849 3.184 1.294 1.00 0.00 N ATOM 1386 CA GLU A 596 -12.848 2.627 0.397 1.00 0.00 C ATOM 1387 C GLU A 596 -13.654 3.767 -0.213 1.00 0.00 C ATOM 1388 O GLU A 596 -14.184 4.608 0.517 1.00 0.00 O ATOM 1389 CB GLU A 596 -13.772 1.684 1.175 1.00 0.00 C ATOM 1390 CG GLU A 596 -14.819 0.994 0.315 1.00 0.00 C ATOM 1391 CD GLU A 596 -15.818 0.199 1.132 1.00 0.00 C ATOM 1392 OE1 GLU A 596 -16.828 0.784 1.579 1.00 0.00 O ATOM 1393 OE2 GLU A 596 -15.610 -1.015 1.325 1.00 0.00 O ATOM 0 H GLU A 596 -12.214 3.880 1.945 1.00 0.00 H new ATOM 0 HA GLU A 596 -12.361 2.061 -0.397 1.00 0.00 H new ATOM 0 HB2 GLU A 596 -13.166 0.925 1.670 1.00 0.00 H new ATOM 0 HB3 GLU A 596 -14.276 2.250 1.958 1.00 0.00 H new ATOM 0 HG2 GLU A 596 -15.351 1.742 -0.273 1.00 0.00 H new ATOM 0 HG3 GLU A 596 -14.322 0.328 -0.391 1.00 0.00 H new ATOM 1400 N GLU A 597 -13.728 3.833 -1.539 1.00 0.00 N ATOM 1401 CA GLU A 597 -14.439 4.909 -2.212 1.00 0.00 C ATOM 1402 C GLU A 597 -15.940 4.691 -2.091 1.00 0.00 C ATOM 1403 O GLU A 597 -16.468 3.645 -2.478 1.00 0.00 O ATOM 1404 CB GLU A 597 -14.037 4.986 -3.689 1.00 0.00 C ATOM 1405 CG GLU A 597 -14.864 5.980 -4.490 1.00 0.00 C ATOM 1406 CD GLU A 597 -14.453 6.060 -5.944 1.00 0.00 C ATOM 1407 OE1 GLU A 597 -13.553 6.856 -6.273 1.00 0.00 O ATOM 1408 OE2 GLU A 597 -15.042 5.335 -6.771 1.00 0.00 O ATOM 0 H GLU A 597 -13.303 3.152 -2.168 1.00 0.00 H new ATOM 0 HA GLU A 597 -14.172 5.852 -1.735 1.00 0.00 H new ATOM 0 HB2 GLU A 597 -12.985 5.262 -3.757 1.00 0.00 H new ATOM 0 HB3 GLU A 597 -14.137 3.997 -4.137 1.00 0.00 H new ATOM 0 HG2 GLU A 597 -15.916 5.699 -4.431 1.00 0.00 H new ATOM 0 HG3 GLU A 597 -14.772 6.968 -4.038 1.00 0.00 H new ATOM 1415 N ARG A 598 -16.616 5.686 -1.551 1.00 0.00 N ATOM 1416 CA ARG A 598 -18.024 5.578 -1.234 1.00 0.00 C ATOM 1417 C ARG A 598 -18.769 6.827 -1.690 1.00 0.00 C ATOM 1418 O ARG A 598 -18.167 7.894 -1.845 1.00 0.00 O ATOM 1419 CB ARG A 598 -18.156 5.377 0.281 1.00 0.00 C ATOM 1420 CG ARG A 598 -19.573 5.409 0.823 1.00 0.00 C ATOM 1421 CD ARG A 598 -19.576 5.148 2.317 1.00 0.00 C ATOM 1422 NE ARG A 598 -20.915 5.197 2.890 1.00 0.00 N ATOM 1423 CZ ARG A 598 -21.200 4.825 4.135 1.00 0.00 C ATOM 1424 NH1 ARG A 598 -20.251 4.327 4.920 1.00 0.00 N ATOM 1425 NH2 ARG A 598 -22.438 4.939 4.589 1.00 0.00 N ATOM 0 H ARG A 598 -16.204 6.590 -1.320 1.00 0.00 H new ATOM 0 HA ARG A 598 -18.467 4.730 -1.756 1.00 0.00 H new ATOM 0 HB2 ARG A 598 -17.707 4.419 0.543 1.00 0.00 H new ATOM 0 HB3 ARG A 598 -17.575 6.150 0.784 1.00 0.00 H new ATOM 0 HG2 ARG A 598 -20.026 6.379 0.616 1.00 0.00 H new ATOM 0 HG3 ARG A 598 -20.180 4.659 0.316 1.00 0.00 H new ATOM 0 HD2 ARG A 598 -19.136 4.170 2.512 1.00 0.00 H new ATOM 0 HD3 ARG A 598 -18.945 5.886 2.813 1.00 0.00 H new ATOM 0 HE ARG A 598 -21.677 5.536 2.303 1.00 0.00 H new ATOM 0 HH11 ARG A 598 -19.298 4.228 4.569 1.00 0.00 H new ATOM 0 HH12 ARG A 598 -20.475 4.043 5.874 1.00 0.00 H new ATOM 0 HH21 ARG A 598 -23.171 5.311 3.985 1.00 0.00 H new ATOM 0 HH22 ARG A 598 -22.660 4.655 5.543 1.00 0.00 H new ATOM 1439 N ASP A 599 -20.073 6.699 -1.897 1.00 0.00 N ATOM 1440 CA ASP A 599 -20.905 7.836 -2.254 1.00 0.00 C ATOM 1441 C ASP A 599 -21.655 8.359 -1.047 1.00 0.00 C ATOM 1442 O ASP A 599 -22.164 7.597 -0.225 1.00 0.00 O ATOM 1443 CB ASP A 599 -21.890 7.469 -3.371 1.00 0.00 C ATOM 1444 CG ASP A 599 -22.887 6.402 -2.963 1.00 0.00 C ATOM 1445 OD1 ASP A 599 -22.550 5.203 -3.047 1.00 0.00 O ATOM 1446 OD2 ASP A 599 -24.020 6.755 -2.572 1.00 0.00 O ATOM 0 H ASP A 599 -20.577 5.815 -1.823 1.00 0.00 H new ATOM 0 HA ASP A 599 -20.247 8.624 -2.620 1.00 0.00 H new ATOM 0 HB2 ASP A 599 -22.431 8.364 -3.678 1.00 0.00 H new ATOM 0 HB3 ASP A 599 -21.331 7.121 -4.240 1.00 0.00 H new ATOM 1451 N THR A 600 -21.679 9.668 -0.935 1.00 0.00 N ATOM 1452 CA THR A 600 -22.353 10.347 0.152 1.00 0.00 C ATOM 1453 C THR A 600 -23.235 11.445 -0.417 1.00 0.00 C ATOM 1454 O THR A 600 -23.092 11.816 -1.584 1.00 0.00 O ATOM 1455 CB THR A 600 -21.326 10.966 1.118 1.00 0.00 C ATOM 1456 OG1 THR A 600 -20.725 12.106 0.507 1.00 0.00 O ATOM 1457 CG2 THR A 600 -20.241 9.965 1.452 1.00 0.00 C ATOM 0 H THR A 600 -21.229 10.297 -1.600 1.00 0.00 H new ATOM 0 HA THR A 600 -22.960 9.626 0.699 1.00 0.00 H new ATOM 0 HB THR A 600 -21.843 11.255 2.033 1.00 0.00 H new ATOM 0 HG1 THR A 600 -20.178 11.819 -0.254 1.00 0.00 H new ATOM 0 HG21 THR A 600 -19.524 10.420 2.136 1.00 0.00 H new ATOM 0 HG22 THR A 600 -20.687 9.089 1.923 1.00 0.00 H new ATOM 0 HG23 THR A 600 -19.730 9.664 0.538 1.00 0.00 H new ATOM 1465 N PRO A 601 -24.165 11.971 0.384 1.00 0.00 N ATOM 1466 CA PRO A 601 -25.027 13.080 -0.029 1.00 0.00 C ATOM 1467 C PRO A 601 -24.238 14.351 -0.367 1.00 0.00 C ATOM 1468 O PRO A 601 -24.792 15.299 -0.924 1.00 0.00 O ATOM 1469 CB PRO A 601 -25.934 13.304 1.183 1.00 0.00 C ATOM 1470 CG PRO A 601 -25.217 12.676 2.325 1.00 0.00 C ATOM 1471 CD PRO A 601 -24.482 11.510 1.743 1.00 0.00 C ATOM 0 HA PRO A 601 -25.573 12.847 -0.943 1.00 0.00 H new ATOM 0 HB2 PRO A 601 -26.101 14.367 1.359 1.00 0.00 H new ATOM 0 HB3 PRO A 601 -26.912 12.848 1.033 1.00 0.00 H new ATOM 0 HG2 PRO A 601 -24.529 13.381 2.791 1.00 0.00 H new ATOM 0 HG3 PRO A 601 -25.915 12.354 3.097 1.00 0.00 H new ATOM 0 HD2 PRO A 601 -23.582 11.275 2.311 1.00 0.00 H new ATOM 0 HD3 PRO A 601 -25.096 10.609 1.732 1.00 0.00 H new ATOM 1479 N GLU A 602 -22.949 14.368 -0.026 1.00 0.00 N ATOM 1480 CA GLU A 602 -22.081 15.480 -0.398 1.00 0.00 C ATOM 1481 C GLU A 602 -21.245 15.119 -1.629 1.00 0.00 C ATOM 1482 O GLU A 602 -20.698 15.995 -2.297 1.00 0.00 O ATOM 1483 CB GLU A 602 -21.161 15.873 0.764 1.00 0.00 C ATOM 1484 CG GLU A 602 -20.022 14.903 1.003 1.00 0.00 C ATOM 1485 CD GLU A 602 -19.029 15.398 2.029 1.00 0.00 C ATOM 1486 OE1 GLU A 602 -19.279 15.230 3.240 1.00 0.00 O ATOM 1487 OE2 GLU A 602 -17.983 15.945 1.627 1.00 0.00 O ATOM 0 H GLU A 602 -22.487 13.629 0.504 1.00 0.00 H new ATOM 0 HA GLU A 602 -22.715 16.333 -0.638 1.00 0.00 H new ATOM 0 HB2 GLU A 602 -20.747 16.862 0.568 1.00 0.00 H new ATOM 0 HB3 GLU A 602 -21.755 15.951 1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 602 -20.429 13.947 1.332 1.00 0.00 H new ATOM 0 HG3 GLU A 602 -19.503 14.722 0.062 1.00 0.00 H new ATOM 1494 N GLY A 603 -21.151 13.822 -1.915 1.00 0.00 N ATOM 1495 CA GLY A 603 -20.387 13.387 -3.060 1.00 0.00 C ATOM 1496 C GLY A 603 -19.554 12.156 -2.803 1.00 0.00 C ATOM 1497 O GLY A 603 -19.690 11.495 -1.775 1.00 0.00 O ATOM 0 H GLY A 603 -21.588 13.074 -1.376 1.00 0.00 H new ATOM 0 HA2 GLY A 603 -21.070 13.187 -3.886 1.00 0.00 H new ATOM 0 HA3 GLY A 603 -19.732 14.198 -3.378 1.00 0.00 H new ATOM 1501 N LEU A 604 -18.696 11.848 -3.754 1.00 0.00 N ATOM 1502 CA LEU A 604 -17.784 10.727 -3.634 1.00 0.00 C ATOM 1503 C LEU A 604 -16.589 11.117 -2.796 1.00 0.00 C ATOM 1504 O LEU A 604 -15.857 12.050 -3.124 1.00 0.00 O ATOM 1505 CB LEU A 604 -17.320 10.245 -5.006 1.00 0.00 C ATOM 1506 CG LEU A 604 -18.365 9.474 -5.805 1.00 0.00 C ATOM 1507 CD1 LEU A 604 -17.900 9.275 -7.238 1.00 0.00 C ATOM 1508 CD2 LEU A 604 -18.649 8.130 -5.157 1.00 0.00 C ATOM 0 H LEU A 604 -18.611 12.365 -4.629 1.00 0.00 H new ATOM 0 HA LEU A 604 -18.316 9.910 -3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 604 -17.003 11.109 -5.590 1.00 0.00 H new ATOM 0 HB3 LEU A 604 -16.444 9.610 -4.874 1.00 0.00 H new ATOM 0 HG LEU A 604 -19.285 10.058 -5.814 1.00 0.00 H new ATOM 0 HD11 LEU A 604 -18.658 8.723 -7.793 1.00 0.00 H new ATOM 0 HD12 LEU A 604 -17.742 10.246 -7.707 1.00 0.00 H new ATOM 0 HD13 LEU A 604 -16.966 8.713 -7.243 1.00 0.00 H new ATOM 0 HD21 LEU A 604 -19.397 7.595 -5.742 1.00 0.00 H new ATOM 0 HD22 LEU A 604 -17.731 7.543 -5.118 1.00 0.00 H new ATOM 0 HD23 LEU A 604 -19.023 8.286 -4.145 1.00 0.00 H new ATOM 1520 N GLN A 605 -16.403 10.395 -1.718 1.00 0.00 N ATOM 1521 CA GLN A 605 -15.307 10.657 -0.806 1.00 0.00 C ATOM 1522 C GLN A 605 -14.659 9.335 -0.432 1.00 0.00 C ATOM 1523 O GLN A 605 -15.329 8.297 -0.419 1.00 0.00 O ATOM 1524 CB GLN A 605 -15.803 11.383 0.436 1.00 0.00 C ATOM 1525 CG GLN A 605 -16.659 10.514 1.337 1.00 0.00 C ATOM 1526 CD GLN A 605 -17.432 11.311 2.359 1.00 0.00 C ATOM 1527 OE1 GLN A 605 -17.927 12.463 1.950 1.00 0.00 O flip ATOM 1528 NE2 GLN A 605 -17.626 10.870 3.490 1.00 0.00 N flip ATOM 0 H GLN A 605 -17.000 9.614 -1.446 1.00 0.00 H new ATOM 0 HA GLN A 605 -14.573 11.300 -1.291 1.00 0.00 H new ATOM 0 HB2 GLN A 605 -14.946 11.747 1.002 1.00 0.00 H new ATOM 0 HB3 GLN A 605 -16.379 12.257 0.132 1.00 0.00 H new ATOM 0 HG2 GLN A 605 -17.357 9.942 0.726 1.00 0.00 H new ATOM 0 HG3 GLN A 605 -16.022 9.794 1.851 1.00 0.00 H new ATOM 0 HE21 GLN A 605 -17.223 9.974 3.764 1.00 0.00 H new ATOM 0 HE22 GLN A 605 -18.190 11.400 4.154 1.00 0.00 H new ATOM 1537 N TRP A 606 -13.366 9.347 -0.161 1.00 0.00 N ATOM 1538 CA TRP A 606 -12.664 8.135 0.201 1.00 0.00 C ATOM 1539 C TRP A 606 -12.774 7.940 1.703 1.00 0.00 C ATOM 1540 O TRP A 606 -12.205 8.710 2.477 1.00 0.00 O ATOM 1541 CB TRP A 606 -11.193 8.217 -0.214 1.00 0.00 C ATOM 1542 CG TRP A 606 -10.966 7.905 -1.658 1.00 0.00 C ATOM 1543 CD1 TRP A 606 -10.904 8.784 -2.699 1.00 0.00 C ATOM 1544 CD2 TRP A 606 -10.776 6.606 -2.215 1.00 0.00 C ATOM 1545 NE1 TRP A 606 -10.682 8.103 -3.873 1.00 0.00 N ATOM 1546 CE2 TRP A 606 -10.603 6.762 -3.601 1.00 0.00 C ATOM 1547 CE3 TRP A 606 -10.738 5.326 -1.670 1.00 0.00 C ATOM 1548 CZ2 TRP A 606 -10.392 5.677 -4.449 1.00 0.00 C ATOM 1549 CZ3 TRP A 606 -10.531 4.254 -2.507 1.00 0.00 C ATOM 1550 CH2 TRP A 606 -10.360 4.430 -3.882 1.00 0.00 C ATOM 0 H TRP A 606 -12.783 10.184 -0.186 1.00 0.00 H new ATOM 0 HA TRP A 606 -13.112 7.288 -0.318 1.00 0.00 H new ATOM 0 HB2 TRP A 606 -10.819 9.219 -0.003 1.00 0.00 H new ATOM 0 HB3 TRP A 606 -10.612 7.525 0.395 1.00 0.00 H new ATOM 0 HD1 TRP A 606 -11.013 9.855 -2.614 1.00 0.00 H new ATOM 0 HE1 TRP A 606 -10.591 8.527 -4.796 1.00 0.00 H new ATOM 0 HE3 TRP A 606 -10.869 5.177 -0.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 606 -10.259 5.813 -5.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 606 -10.500 3.257 -2.093 1.00 0.00 H new ATOM 0 HH2 TRP A 606 -10.199 3.566 -4.510 1.00 0.00 H new ATOM 1561 N VAL A 607 -13.520 6.931 2.118 1.00 0.00 N ATOM 1562 CA VAL A 607 -13.728 6.687 3.534 1.00 0.00 C ATOM 1563 C VAL A 607 -12.706 5.694 4.057 1.00 0.00 C ATOM 1564 O VAL A 607 -12.508 4.624 3.483 1.00 0.00 O ATOM 1565 CB VAL A 607 -15.150 6.146 3.801 1.00 0.00 C ATOM 1566 CG1 VAL A 607 -15.403 5.988 5.293 1.00 0.00 C ATOM 1567 CG2 VAL A 607 -16.198 7.055 3.173 1.00 0.00 C ATOM 0 H VAL A 607 -13.989 6.271 1.498 1.00 0.00 H new ATOM 0 HA VAL A 607 -13.610 7.637 4.054 1.00 0.00 H new ATOM 0 HB VAL A 607 -15.227 5.162 3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 607 -16.411 5.606 5.453 1.00 0.00 H new ATOM 0 HG12 VAL A 607 -14.679 5.289 5.713 1.00 0.00 H new ATOM 0 HG13 VAL A 607 -15.300 6.956 5.784 1.00 0.00 H new ATOM 0 HG21 VAL A 607 -17.192 6.656 3.373 1.00 0.00 H new ATOM 0 HG22 VAL A 607 -16.116 8.055 3.600 1.00 0.00 H new ATOM 0 HG23 VAL A 607 -16.037 7.106 2.096 1.00 0.00 H new ATOM 1577 N GLN A 608 -12.048 6.074 5.137 1.00 0.00 N ATOM 1578 CA GLN A 608 -11.000 5.267 5.725 1.00 0.00 C ATOM 1579 C GLN A 608 -11.595 4.076 6.459 1.00 0.00 C ATOM 1580 O GLN A 608 -12.576 4.203 7.196 1.00 0.00 O ATOM 1581 CB GLN A 608 -10.137 6.088 6.678 1.00 0.00 C ATOM 1582 CG GLN A 608 -9.043 5.262 7.327 1.00 0.00 C ATOM 1583 CD GLN A 608 -8.008 6.095 8.040 1.00 0.00 C ATOM 1584 OE1 GLN A 608 -8.295 7.178 8.548 1.00 0.00 O ATOM 1585 NE2 GLN A 608 -6.793 5.589 8.086 1.00 0.00 N ATOM 0 H GLN A 608 -12.226 6.950 5.629 1.00 0.00 H new ATOM 0 HA GLN A 608 -10.365 4.906 4.915 1.00 0.00 H new ATOM 0 HB2 GLN A 608 -9.687 6.917 6.133 1.00 0.00 H new ATOM 0 HB3 GLN A 608 -10.769 6.522 7.453 1.00 0.00 H new ATOM 0 HG2 GLN A 608 -9.494 4.569 8.038 1.00 0.00 H new ATOM 0 HG3 GLN A 608 -8.551 4.660 6.563 1.00 0.00 H new ATOM 0 HE21 GLN A 608 -6.599 4.687 7.651 1.00 0.00 H new ATOM 0 HE22 GLN A 608 -6.046 6.099 8.557 1.00 0.00 H new ATOM 1594 N LEU A 609 -10.991 2.921 6.250 1.00 0.00 N ATOM 1595 CA LEU A 609 -11.446 1.686 6.852 1.00 0.00 C ATOM 1596 C LEU A 609 -10.633 1.443 8.109 1.00 0.00 C ATOM 1597 O LEU A 609 -9.431 1.713 8.121 1.00 0.00 O ATOM 1598 CB LEU A 609 -11.226 0.523 5.880 1.00 0.00 C ATOM 1599 CG LEU A 609 -11.960 0.633 4.546 1.00 0.00 C ATOM 1600 CD1 LEU A 609 -11.359 -0.324 3.528 1.00 0.00 C ATOM 1601 CD2 LEU A 609 -13.438 0.341 4.740 1.00 0.00 C ATOM 0 H LEU A 609 -10.169 2.815 5.656 1.00 0.00 H new ATOM 0 HA LEU A 609 -12.508 1.757 7.089 1.00 0.00 H new ATOM 0 HB2 LEU A 609 -10.158 0.436 5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 609 -11.535 -0.400 6.370 1.00 0.00 H new ATOM 0 HG LEU A 609 -11.850 1.649 4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 609 -11.894 -0.233 2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 609 -10.308 -0.079 3.375 1.00 0.00 H new ATOM 0 HD13 LEU A 609 -11.444 -1.347 3.896 1.00 0.00 H new ATOM 0 HD21 LEU A 609 -13.954 0.422 3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 609 -13.561 -0.668 5.134 1.00 0.00 H new ATOM 0 HD23 LEU A 609 -13.862 1.059 5.442 1.00 0.00 H new ATOM 1613 N SER A 610 -11.254 0.947 9.163 1.00 0.00 N ATOM 1614 CA SER A 610 -10.539 0.584 10.366 1.00 0.00 C ATOM 1615 C SER A 610 -9.861 -0.748 10.161 1.00 0.00 C ATOM 1616 O SER A 610 -10.170 -1.463 9.206 1.00 0.00 O ATOM 1617 CB SER A 610 -11.496 0.501 11.556 1.00 0.00 C ATOM 1618 OG SER A 610 -12.669 -0.224 11.225 1.00 0.00 O ATOM 0 H SER A 610 -12.260 0.786 9.207 1.00 0.00 H new ATOM 0 HA SER A 610 -9.791 1.349 10.578 1.00 0.00 H new ATOM 0 HB2 SER A 610 -10.994 0.021 12.396 1.00 0.00 H new ATOM 0 HB3 SER A 610 -11.766 1.506 11.879 1.00 0.00 H new ATOM 0 HG SER A 610 -13.261 -0.262 12.005 1.00 0.00 H new ATOM 1624 N ALA A 611 -8.943 -1.082 11.048 1.00 0.00 N ATOM 1625 CA ALA A 611 -8.263 -2.359 11.023 1.00 0.00 C ATOM 1626 C ALA A 611 -9.259 -3.511 10.946 1.00 0.00 C ATOM 1627 O ALA A 611 -9.000 -4.519 10.300 1.00 0.00 O ATOM 1628 CB ALA A 611 -7.411 -2.483 12.269 1.00 0.00 C ATOM 0 H ALA A 611 -8.648 -0.471 11.809 1.00 0.00 H new ATOM 0 HA ALA A 611 -7.633 -2.410 10.135 1.00 0.00 H new ATOM 0 HB1 ALA A 611 -6.893 -3.442 12.262 1.00 0.00 H new ATOM 0 HB2 ALA A 611 -6.679 -1.676 12.291 1.00 0.00 H new ATOM 0 HB3 ALA A 611 -8.047 -2.421 13.152 1.00 0.00 H new ATOM 1634 N GLU A 612 -10.399 -3.349 11.609 1.00 0.00 N ATOM 1635 CA GLU A 612 -11.428 -4.381 11.633 1.00 0.00 C ATOM 1636 C GLU A 612 -12.115 -4.501 10.267 1.00 0.00 C ATOM 1637 O GLU A 612 -12.526 -5.589 9.862 1.00 0.00 O ATOM 1638 CB GLU A 612 -12.469 -4.058 12.702 1.00 0.00 C ATOM 1639 CG GLU A 612 -11.868 -3.702 14.051 1.00 0.00 C ATOM 1640 CD GLU A 612 -12.922 -3.402 15.093 1.00 0.00 C ATOM 1641 OE1 GLU A 612 -13.872 -2.651 14.785 1.00 0.00 O ATOM 1642 OE2 GLU A 612 -12.802 -3.908 16.230 1.00 0.00 O ATOM 0 H GLU A 612 -10.634 -2.509 12.139 1.00 0.00 H new ATOM 0 HA GLU A 612 -10.949 -5.332 11.867 1.00 0.00 H new ATOM 0 HB2 GLU A 612 -13.085 -3.227 12.358 1.00 0.00 H new ATOM 0 HB3 GLU A 612 -13.130 -4.916 12.824 1.00 0.00 H new ATOM 0 HG2 GLU A 612 -11.244 -4.527 14.396 1.00 0.00 H new ATOM 0 HG3 GLU A 612 -11.217 -2.835 13.938 1.00 0.00 H new ATOM 1649 N GLU A 613 -12.229 -3.377 9.557 1.00 0.00 N ATOM 1650 CA GLU A 613 -12.897 -3.348 8.256 1.00 0.00 C ATOM 1651 C GLU A 613 -11.963 -3.830 7.155 1.00 0.00 C ATOM 1652 O GLU A 613 -12.411 -4.367 6.137 1.00 0.00 O ATOM 1653 CB GLU A 613 -13.362 -1.929 7.927 1.00 0.00 C ATOM 1654 CG GLU A 613 -14.319 -1.336 8.943 1.00 0.00 C ATOM 1655 CD GLU A 613 -14.713 0.083 8.599 1.00 0.00 C ATOM 1656 OE1 GLU A 613 -14.002 1.013 9.033 1.00 0.00 O ATOM 1657 OE2 GLU A 613 -15.723 0.277 7.893 1.00 0.00 O ATOM 0 H GLU A 613 -11.866 -2.474 9.862 1.00 0.00 H new ATOM 0 HA GLU A 613 -13.759 -4.013 8.311 1.00 0.00 H new ATOM 0 HB2 GLU A 613 -12.488 -1.282 7.847 1.00 0.00 H new ATOM 0 HB3 GLU A 613 -13.845 -1.935 6.950 1.00 0.00 H new ATOM 0 HG2 GLU A 613 -15.214 -1.956 9.001 1.00 0.00 H new ATOM 0 HG3 GLU A 613 -13.855 -1.353 9.929 1.00 0.00 H new ATOM 1664 N ILE A 614 -10.669 -3.616 7.370 1.00 0.00 N ATOM 1665 CA ILE A 614 -9.632 -3.958 6.395 1.00 0.00 C ATOM 1666 C ILE A 614 -9.782 -5.379 5.817 1.00 0.00 C ATOM 1667 O ILE A 614 -9.950 -5.531 4.606 1.00 0.00 O ATOM 1668 CB ILE A 614 -8.225 -3.802 7.022 1.00 0.00 C ATOM 1669 CG1 ILE A 614 -7.885 -2.323 7.222 1.00 0.00 C ATOM 1670 CG2 ILE A 614 -7.173 -4.494 6.172 1.00 0.00 C ATOM 1671 CD1 ILE A 614 -6.513 -2.086 7.819 1.00 0.00 C ATOM 0 H ILE A 614 -10.306 -3.199 8.227 1.00 0.00 H new ATOM 0 HA ILE A 614 -9.755 -3.259 5.567 1.00 0.00 H new ATOM 0 HB ILE A 614 -8.232 -4.283 8.000 1.00 0.00 H new ATOM 0 HG12 ILE A 614 -7.946 -1.813 6.261 1.00 0.00 H new ATOM 0 HG13 ILE A 614 -8.636 -1.872 7.870 1.00 0.00 H new ATOM 0 HG21 ILE A 614 -6.193 -4.370 6.633 1.00 0.00 H new ATOM 0 HG22 ILE A 614 -7.407 -5.556 6.097 1.00 0.00 H new ATOM 0 HG23 ILE A 614 -7.163 -4.053 5.175 1.00 0.00 H new ATOM 0 HD11 ILE A 614 -6.345 -1.015 7.930 1.00 0.00 H new ATOM 0 HD12 ILE A 614 -6.453 -2.566 8.796 1.00 0.00 H new ATOM 0 HD13 ILE A 614 -5.752 -2.506 7.161 1.00 0.00 H new ATOM 1683 N PRO A 615 -9.763 -6.435 6.659 1.00 0.00 N ATOM 1684 CA PRO A 615 -9.806 -7.824 6.181 1.00 0.00 C ATOM 1685 C PRO A 615 -11.099 -8.151 5.449 1.00 0.00 C ATOM 1686 O PRO A 615 -11.126 -9.018 4.575 1.00 0.00 O ATOM 1687 CB PRO A 615 -9.692 -8.656 7.460 1.00 0.00 C ATOM 1688 CG PRO A 615 -10.119 -7.738 8.547 1.00 0.00 C ATOM 1689 CD PRO A 615 -9.679 -6.375 8.126 1.00 0.00 C ATOM 0 HA PRO A 615 -9.014 -8.022 5.459 1.00 0.00 H new ATOM 0 HB2 PRO A 615 -10.328 -9.540 7.415 1.00 0.00 H new ATOM 0 HB3 PRO A 615 -8.671 -9.006 7.615 1.00 0.00 H new ATOM 0 HG2 PRO A 615 -11.199 -7.774 8.687 1.00 0.00 H new ATOM 0 HG3 PRO A 615 -9.665 -8.019 9.497 1.00 0.00 H new ATOM 0 HD2 PRO A 615 -10.325 -5.599 8.535 1.00 0.00 H new ATOM 0 HD3 PRO A 615 -8.666 -6.157 8.463 1.00 0.00 H new ATOM 1697 N SER A 616 -12.164 -7.448 5.798 1.00 0.00 N ATOM 1698 CA SER A 616 -13.454 -7.654 5.161 1.00 0.00 C ATOM 1699 C SER A 616 -13.400 -7.196 3.706 1.00 0.00 C ATOM 1700 O SER A 616 -13.924 -7.860 2.813 1.00 0.00 O ATOM 1701 CB SER A 616 -14.533 -6.890 5.926 1.00 0.00 C ATOM 1702 OG SER A 616 -14.441 -7.149 7.318 1.00 0.00 O ATOM 0 H SER A 616 -12.160 -6.728 6.521 1.00 0.00 H new ATOM 0 HA SER A 616 -13.698 -8.716 5.177 1.00 0.00 H new ATOM 0 HB2 SER A 616 -14.428 -5.821 5.742 1.00 0.00 H new ATOM 0 HB3 SER A 616 -15.518 -7.180 5.562 1.00 0.00 H new ATOM 0 HG SER A 616 -15.139 -6.649 7.791 1.00 0.00 H new ATOM 1708 N ARG A 617 -12.732 -6.071 3.474 1.00 0.00 N ATOM 1709 CA ARG A 617 -12.548 -5.543 2.128 1.00 0.00 C ATOM 1710 C ARG A 617 -11.555 -6.389 1.347 1.00 0.00 C ATOM 1711 O ARG A 617 -11.744 -6.643 0.156 1.00 0.00 O ATOM 1712 CB ARG A 617 -12.088 -4.085 2.171 1.00 0.00 C ATOM 1713 CG ARG A 617 -13.230 -3.084 2.255 1.00 0.00 C ATOM 1714 CD ARG A 617 -14.060 -3.266 3.514 1.00 0.00 C ATOM 1715 NE ARG A 617 -15.178 -2.329 3.568 1.00 0.00 N ATOM 1716 CZ ARG A 617 -15.968 -2.164 4.626 1.00 0.00 C ATOM 1717 NH1 ARG A 617 -15.779 -2.890 5.723 1.00 0.00 N ATOM 1718 NH2 ARG A 617 -16.947 -1.270 4.586 1.00 0.00 N ATOM 0 H ARG A 617 -12.306 -5.504 4.207 1.00 0.00 H new ATOM 0 HA ARG A 617 -13.511 -5.583 1.619 1.00 0.00 H new ATOM 0 HB2 ARG A 617 -11.431 -3.946 3.030 1.00 0.00 H new ATOM 0 HB3 ARG A 617 -11.497 -3.874 1.280 1.00 0.00 H new ATOM 0 HG2 ARG A 617 -12.826 -2.072 2.231 1.00 0.00 H new ATOM 0 HG3 ARG A 617 -13.871 -3.192 1.380 1.00 0.00 H new ATOM 0 HD2 ARG A 617 -14.440 -4.287 3.554 1.00 0.00 H new ATOM 0 HD3 ARG A 617 -13.427 -3.127 4.390 1.00 0.00 H new ATOM 0 HE ARG A 617 -15.366 -1.763 2.740 1.00 0.00 H new ATOM 0 HH11 ARG A 617 -15.026 -3.577 5.756 1.00 0.00 H new ATOM 0 HH12 ARG A 617 -16.387 -2.760 6.532 1.00 0.00 H new ATOM 0 HH21 ARG A 617 -17.093 -0.711 3.746 1.00 0.00 H new ATOM 0 HH22 ARG A 617 -17.554 -1.142 5.396 1.00 0.00 H new ATOM 1732 N ILE A 618 -10.505 -6.835 2.032 1.00 0.00 N ATOM 1733 CA ILE A 618 -9.485 -7.681 1.422 1.00 0.00 C ATOM 1734 C ILE A 618 -10.108 -8.933 0.819 1.00 0.00 C ATOM 1735 O ILE A 618 -9.700 -9.389 -0.238 1.00 0.00 O ATOM 1736 CB ILE A 618 -8.411 -8.102 2.446 1.00 0.00 C ATOM 1737 CG1 ILE A 618 -7.653 -6.878 2.963 1.00 0.00 C ATOM 1738 CG2 ILE A 618 -7.451 -9.113 1.834 1.00 0.00 C ATOM 1739 CD1 ILE A 618 -6.566 -7.212 3.963 1.00 0.00 C ATOM 0 H ILE A 618 -10.339 -6.622 3.016 1.00 0.00 H new ATOM 0 HA ILE A 618 -9.013 -7.091 0.636 1.00 0.00 H new ATOM 0 HB ILE A 618 -8.910 -8.577 3.291 1.00 0.00 H new ATOM 0 HG12 ILE A 618 -7.208 -6.354 2.117 1.00 0.00 H new ATOM 0 HG13 ILE A 618 -8.362 -6.192 3.426 1.00 0.00 H new ATOM 0 HG21 ILE A 618 -6.702 -9.397 2.573 1.00 0.00 H new ATOM 0 HG22 ILE A 618 -8.005 -9.998 1.521 1.00 0.00 H new ATOM 0 HG23 ILE A 618 -6.958 -8.669 0.969 1.00 0.00 H new ATOM 0 HD11 ILE A 618 -6.073 -6.295 4.284 1.00 0.00 H new ATOM 0 HD12 ILE A 618 -7.007 -7.709 4.827 1.00 0.00 H new ATOM 0 HD13 ILE A 618 -5.835 -7.873 3.498 1.00 0.00 H new ATOM 1751 N GLN A 619 -11.103 -9.477 1.499 1.00 0.00 N ATOM 1752 CA GLN A 619 -11.789 -10.675 1.035 1.00 0.00 C ATOM 1753 C GLN A 619 -12.428 -10.475 -0.334 1.00 0.00 C ATOM 1754 O GLN A 619 -12.467 -11.397 -1.145 1.00 0.00 O ATOM 1755 CB GLN A 619 -12.829 -11.107 2.053 1.00 0.00 C ATOM 1756 CG GLN A 619 -12.204 -11.613 3.333 1.00 0.00 C ATOM 1757 CD GLN A 619 -11.404 -12.881 3.123 1.00 0.00 C ATOM 1758 OE1 GLN A 619 -11.945 -13.983 3.164 1.00 0.00 O ATOM 1759 NE2 GLN A 619 -10.104 -12.735 2.920 1.00 0.00 N ATOM 0 H GLN A 619 -11.457 -9.106 2.381 1.00 0.00 H new ATOM 0 HA GLN A 619 -11.043 -11.463 0.928 1.00 0.00 H new ATOM 0 HB2 GLN A 619 -13.484 -10.266 2.279 1.00 0.00 H new ATOM 0 HB3 GLN A 619 -13.453 -11.890 1.622 1.00 0.00 H new ATOM 0 HG2 GLN A 619 -11.555 -10.841 3.747 1.00 0.00 H new ATOM 0 HG3 GLN A 619 -12.987 -11.798 4.068 1.00 0.00 H new ATOM 0 HE21 GLN A 619 -9.694 -11.802 2.893 1.00 0.00 H new ATOM 0 HE22 GLN A 619 -9.513 -13.556 2.791 1.00 0.00 H new ATOM 1768 N ALA A 620 -12.920 -9.275 -0.597 1.00 0.00 N ATOM 1769 CA ALA A 620 -13.549 -8.984 -1.876 1.00 0.00 C ATOM 1770 C ALA A 620 -12.504 -8.761 -2.965 1.00 0.00 C ATOM 1771 O ALA A 620 -12.623 -9.282 -4.075 1.00 0.00 O ATOM 1772 CB ALA A 620 -14.445 -7.761 -1.745 1.00 0.00 C ATOM 0 H ALA A 620 -12.897 -8.490 0.054 1.00 0.00 H new ATOM 0 HA ALA A 620 -14.155 -9.843 -2.164 1.00 0.00 H new ATOM 0 HB1 ALA A 620 -14.913 -7.548 -2.706 1.00 0.00 H new ATOM 0 HB2 ALA A 620 -15.217 -7.954 -1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 620 -13.847 -6.904 -1.435 1.00 0.00 H new ATOM 1778 N ILE A 621 -11.474 -7.999 -2.628 1.00 0.00 N ATOM 1779 CA ILE A 621 -10.434 -7.632 -3.586 1.00 0.00 C ATOM 1780 C ILE A 621 -9.328 -8.678 -3.669 1.00 0.00 C ATOM 1781 O ILE A 621 -8.368 -8.515 -4.427 1.00 0.00 O ATOM 1782 CB ILE A 621 -9.797 -6.281 -3.221 1.00 0.00 C ATOM 1783 CG1 ILE A 621 -9.191 -6.336 -1.818 1.00 0.00 C ATOM 1784 CG2 ILE A 621 -10.826 -5.169 -3.310 1.00 0.00 C ATOM 1785 CD1 ILE A 621 -8.448 -5.079 -1.442 1.00 0.00 C ATOM 0 H ILE A 621 -11.333 -7.619 -1.692 1.00 0.00 H new ATOM 0 HA ILE A 621 -10.928 -7.564 -4.555 1.00 0.00 H new ATOM 0 HB ILE A 621 -8.999 -6.072 -3.934 1.00 0.00 H new ATOM 0 HG12 ILE A 621 -9.986 -6.511 -1.093 1.00 0.00 H new ATOM 0 HG13 ILE A 621 -8.510 -7.185 -1.756 1.00 0.00 H new ATOM 0 HG21 ILE A 621 -10.359 -4.219 -3.049 1.00 0.00 H new ATOM 0 HG22 ILE A 621 -11.215 -5.114 -4.327 1.00 0.00 H new ATOM 0 HG23 ILE A 621 -11.644 -5.374 -2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 621 -8.043 -5.183 -0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 621 -7.633 -4.914 -2.146 1.00 0.00 H new ATOM 0 HD13 ILE A 621 -9.131 -4.230 -1.472 1.00 0.00 H new