USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 649 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 557 LYS NZ :NH3+ 153:sc= -1.06 (180deg=-1.86) USER MOD Set 1.2: A 561 TYR OH : rot 150:sc=-0.00492 USER MOD Set 2.1: A 539 THR OG1 : rot 180:sc= -1.66! USER MOD Set 2.2: A 540 ASN : amide:sc= -6.55! C(o=-9.4!,f=-10!) USER MOD Set 2.3: A 542 THR OG1 : rot 72:sc= -1.21! USER MOD Set 3.1: A 535 HIS :FLIP no HD1:sc= -0.183 F(o=-1.1,f=-0.62) USER MOD Set 3.2: A 549 SER OG : rot 180:sc= -0.435 USER MOD Single : A 501 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 503 TYR OH : rot 180:sc= -0.837 USER MOD Single : A 511 HIS : no HD1:sc= -1.94 K(o=-1.9,f=-9.2!) USER MOD Single : A 515 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 516 THR OG1 : rot -18:sc= 0.363 USER MOD Single : A 521 HIS : no HE2:sc= -0.513! C(o=-0.51!,f=-4.9!) USER MOD Single : A 524 GLN : amide:sc= -0.0201 X(o=-0.02,f=0) USER MOD Single : A 525 GLN : amide:sc= -0.502 X(o=-0.5,f=-0.085) USER MOD Single : A 528 ASN : amide:sc= -1.62 K(o=-1.6,f=-4.1!) USER MOD Single : A 533 THR OG1 : rot 60:sc= 0.244 USER MOD Single : A 537 HIS : no HD1:sc= -0.076 X(o=-0.076,f=-0.094) USER MOD Single : A 541 THR OG1 : rot 48:sc= 0.492 USER MOD Single : A 548 CYS SG : rot -22:sc= 1.09 USER MOD Single : A 552 LYS NZ :NH3+ 168:sc=-0.00803 (180deg=-0.233) USER MOD Single : A 553 THR OG1 : rot 180:sc= 0.00161 USER MOD Single : A 554 THR OG1 : rot 180:sc= -0.42 USER MOD Single : A 559 GLN : amide:sc= -0.327 K(o=-0.33,f=-2.3!) USER MOD Single : A 560 SER OG : rot 180:sc= 0 USER MOD Single : B 878 LYS NZ :NH3+ 138:sc= -0.26 (180deg=-1.51!) USER MOD Single : B 882 SER OG : rot 40:sc= 0.175 USER MOD Single : B 887 SER OG : rot -16:sc= 0.28! USER MOD ----------------------------------------------------------------- ATOM 15 N LYS A 501 6.427 -20.290 -3.549 1.00 0.00 N ATOM 16 CA LYS A 501 6.591 -19.611 -2.269 1.00 0.00 C ATOM 17 C LYS A 501 7.300 -18.272 -2.459 1.00 0.00 C ATOM 18 O LYS A 501 7.440 -17.494 -1.517 1.00 0.00 O ATOM 19 CB LYS A 501 7.400 -20.487 -1.312 1.00 0.00 C ATOM 20 CG LYS A 501 6.671 -21.814 -1.093 1.00 0.00 C ATOM 21 CD LYS A 501 7.615 -22.813 -0.422 1.00 0.00 C ATOM 22 CE LYS A 501 6.918 -24.169 -0.298 1.00 0.00 C ATOM 23 NZ LYS A 501 7.686 -25.040 0.637 1.00 0.00 N ATOM 0 HA LYS A 501 5.603 -19.430 -1.847 1.00 0.00 H new ATOM 0 HB2 LYS A 501 8.394 -20.669 -1.721 1.00 0.00 H new ATOM 0 HB3 LYS A 501 7.537 -19.974 -0.360 1.00 0.00 H new ATOM 0 HG2 LYS A 501 5.789 -21.658 -0.472 1.00 0.00 H new ATOM 0 HG3 LYS A 501 6.323 -22.211 -2.047 1.00 0.00 H new ATOM 0 HD2 LYS A 501 8.530 -22.914 -1.006 1.00 0.00 H new ATOM 0 HD3 LYS A 501 7.905 -22.450 0.564 1.00 0.00 H new ATOM 0 HE2 LYS A 501 5.900 -24.034 0.067 1.00 0.00 H new ATOM 0 HE3 LYS A 501 6.845 -24.643 -1.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 501 7.212 -25.962 0.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 501 8.649 -25.178 0.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 501 7.733 -24.588 1.573 1.00 0.00 H new ATOM 37 N ALA A 502 7.743 -18.014 -3.684 1.00 0.00 N ATOM 38 CA ALA A 502 8.435 -16.767 -3.988 1.00 0.00 C ATOM 39 C ALA A 502 7.511 -15.572 -3.776 1.00 0.00 C ATOM 40 O ALA A 502 7.883 -14.590 -3.139 1.00 0.00 O ATOM 41 CB ALA A 502 8.928 -16.782 -5.436 1.00 0.00 C ATOM 0 H ALA A 502 7.637 -18.646 -4.477 1.00 0.00 H new ATOM 0 HA ALA A 502 9.287 -16.675 -3.315 1.00 0.00 H new ATOM 0 HB1 ALA A 502 9.444 -15.847 -5.655 1.00 0.00 H new ATOM 0 HB2 ALA A 502 9.614 -17.617 -5.578 1.00 0.00 H new ATOM 0 HB3 ALA A 502 8.078 -16.893 -6.109 1.00 0.00 H new ATOM 47 N TYR A 503 6.304 -15.667 -4.325 1.00 0.00 N ATOM 48 CA TYR A 503 5.332 -14.586 -4.201 1.00 0.00 C ATOM 49 C TYR A 503 5.292 -14.068 -2.766 1.00 0.00 C ATOM 50 O TYR A 503 5.587 -12.901 -2.510 1.00 0.00 O ATOM 51 CB TYR A 503 3.942 -15.086 -4.603 1.00 0.00 C ATOM 52 CG TYR A 503 3.019 -13.905 -4.804 1.00 0.00 C ATOM 53 CD1 TYR A 503 3.253 -13.013 -5.858 1.00 0.00 C ATOM 54 CD2 TYR A 503 1.937 -13.698 -3.939 1.00 0.00 C ATOM 55 CE1 TYR A 503 2.404 -11.918 -6.048 1.00 0.00 C ATOM 56 CE2 TYR A 503 1.088 -12.601 -4.131 1.00 0.00 C ATOM 57 CZ TYR A 503 1.321 -11.711 -5.185 1.00 0.00 C ATOM 58 OH TYR A 503 0.485 -10.630 -5.373 1.00 0.00 O ATOM 0 H TYR A 503 5.977 -16.474 -4.856 1.00 0.00 H new ATOM 0 HA TYR A 503 5.631 -13.773 -4.863 1.00 0.00 H new ATOM 0 HB2 TYR A 503 4.006 -15.671 -5.520 1.00 0.00 H new ATOM 0 HB3 TYR A 503 3.544 -15.745 -3.831 1.00 0.00 H new ATOM 0 HD1 TYR A 503 4.089 -13.171 -6.524 1.00 0.00 H new ATOM 0 HD2 TYR A 503 1.758 -14.384 -3.124 1.00 0.00 H new ATOM 0 HE1 TYR A 503 2.584 -11.231 -6.862 1.00 0.00 H new ATOM 0 HE2 TYR A 503 0.253 -12.442 -3.465 1.00 0.00 H new ATOM 0 HH TYR A 503 -0.216 -10.635 -4.688 1.00 0.00 H new ATOM 68 N LEU A 504 4.929 -14.942 -1.833 1.00 0.00 N ATOM 69 CA LEU A 504 4.856 -14.559 -0.427 1.00 0.00 C ATOM 70 C LEU A 504 6.083 -13.741 -0.027 1.00 0.00 C ATOM 71 O LEU A 504 5.963 -12.690 0.603 1.00 0.00 O ATOM 72 CB LEU A 504 4.758 -15.813 0.452 1.00 0.00 C ATOM 73 CG LEU A 504 3.331 -16.369 0.412 1.00 0.00 C ATOM 74 CD1 LEU A 504 2.978 -16.790 -1.020 1.00 0.00 C ATOM 75 CD2 LEU A 504 3.234 -17.582 1.341 1.00 0.00 C ATOM 0 H LEU A 504 4.682 -15.913 -2.022 1.00 0.00 H new ATOM 0 HA LEU A 504 3.967 -13.946 -0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 504 5.462 -16.568 0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 504 5.034 -15.571 1.478 1.00 0.00 H new ATOM 0 HG LEU A 504 2.633 -15.599 0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 504 1.962 -17.185 -1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 504 3.047 -15.926 -1.681 1.00 0.00 H new ATOM 0 HD13 LEU A 504 3.674 -17.559 -1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 504 2.220 -17.980 1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 504 3.934 -18.350 1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 504 3.479 -17.281 2.359 1.00 0.00 H new ATOM 87 N ASP A 505 7.261 -14.234 -0.394 1.00 0.00 N ATOM 88 CA ASP A 505 8.504 -13.544 -0.067 1.00 0.00 C ATOM 89 C ASP A 505 8.454 -12.092 -0.533 1.00 0.00 C ATOM 90 O ASP A 505 8.898 -11.189 0.178 1.00 0.00 O ATOM 91 CB ASP A 505 9.688 -14.255 -0.726 1.00 0.00 C ATOM 92 CG ASP A 505 10.994 -13.809 -0.075 1.00 0.00 C ATOM 93 OD1 ASP A 505 11.322 -14.340 0.974 1.00 0.00 O ATOM 94 OD2 ASP A 505 11.648 -12.945 -0.636 1.00 0.00 O ATOM 0 H ASP A 505 7.382 -15.103 -0.915 1.00 0.00 H new ATOM 0 HA ASP A 505 8.629 -13.560 1.016 1.00 0.00 H new ATOM 0 HB2 ASP A 505 9.574 -15.335 -0.629 1.00 0.00 H new ATOM 0 HB3 ASP A 505 9.709 -14.031 -1.793 1.00 0.00 H new ATOM 99 N GLU A 506 7.915 -11.874 -1.729 1.00 0.00 N ATOM 100 CA GLU A 506 7.819 -10.523 -2.271 1.00 0.00 C ATOM 101 C GLU A 506 6.952 -9.644 -1.378 1.00 0.00 C ATOM 102 O GLU A 506 7.101 -8.425 -1.363 1.00 0.00 O ATOM 103 CB GLU A 506 7.224 -10.563 -3.682 1.00 0.00 C ATOM 104 CG GLU A 506 8.065 -11.482 -4.567 1.00 0.00 C ATOM 105 CD GLU A 506 7.418 -11.620 -5.940 1.00 0.00 C ATOM 106 OE1 GLU A 506 6.704 -10.710 -6.330 1.00 0.00 O ATOM 107 OE2 GLU A 506 7.646 -12.631 -6.582 1.00 0.00 O ATOM 0 H GLU A 506 7.542 -12.605 -2.335 1.00 0.00 H new ATOM 0 HA GLU A 506 8.823 -10.100 -2.312 1.00 0.00 H new ATOM 0 HB2 GLU A 506 6.195 -10.920 -3.644 1.00 0.00 H new ATOM 0 HB3 GLU A 506 7.197 -9.559 -4.105 1.00 0.00 H new ATOM 0 HG2 GLU A 506 9.073 -11.079 -4.670 1.00 0.00 H new ATOM 0 HG3 GLU A 506 8.160 -12.463 -4.101 1.00 0.00 H new ATOM 114 N LEU A 507 6.049 -10.270 -0.630 1.00 0.00 N ATOM 115 CA LEU A 507 5.167 -9.528 0.269 1.00 0.00 C ATOM 116 C LEU A 507 5.853 -9.282 1.611 1.00 0.00 C ATOM 117 O LEU A 507 5.767 -8.188 2.167 1.00 0.00 O ATOM 118 CB LEU A 507 3.869 -10.309 0.493 1.00 0.00 C ATOM 119 CG LEU A 507 3.399 -10.918 -0.829 1.00 0.00 C ATOM 120 CD1 LEU A 507 2.031 -11.578 -0.630 1.00 0.00 C ATOM 121 CD2 LEU A 507 3.286 -9.816 -1.887 1.00 0.00 C ATOM 0 H LEU A 507 5.908 -11.280 -0.627 1.00 0.00 H new ATOM 0 HA LEU A 507 4.937 -8.567 -0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 507 4.029 -11.096 1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 507 3.100 -9.648 0.894 1.00 0.00 H new ATOM 0 HG LEU A 507 4.118 -11.667 -1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 507 1.696 -12.012 -1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 507 2.111 -12.362 0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 507 1.311 -10.830 -0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 507 2.951 -10.249 -2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 507 2.567 -9.067 -1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 507 4.260 -9.347 -2.029 1.00 0.00 H new ATOM 133 N VAL A 508 6.525 -10.305 2.127 1.00 0.00 N ATOM 134 CA VAL A 508 7.212 -10.182 3.409 1.00 0.00 C ATOM 135 C VAL A 508 8.224 -9.039 3.379 1.00 0.00 C ATOM 136 O VAL A 508 8.110 -8.077 4.135 1.00 0.00 O ATOM 137 CB VAL A 508 7.920 -11.492 3.754 1.00 0.00 C ATOM 138 CG1 VAL A 508 8.670 -11.331 5.078 1.00 0.00 C ATOM 139 CG2 VAL A 508 6.882 -12.608 3.890 1.00 0.00 C ATOM 0 H VAL A 508 6.609 -11.220 1.684 1.00 0.00 H new ATOM 0 HA VAL A 508 6.467 -9.963 4.174 1.00 0.00 H new ATOM 0 HB VAL A 508 8.627 -11.745 2.964 1.00 0.00 H new ATOM 0 HG11 VAL A 508 9.176 -12.264 5.326 1.00 0.00 H new ATOM 0 HG12 VAL A 508 9.407 -10.533 4.984 1.00 0.00 H new ATOM 0 HG13 VAL A 508 7.963 -11.081 5.869 1.00 0.00 H new ATOM 0 HG21 VAL A 508 7.384 -13.544 4.136 1.00 0.00 H new ATOM 0 HG22 VAL A 508 6.177 -12.355 4.682 1.00 0.00 H new ATOM 0 HG23 VAL A 508 6.344 -12.721 2.949 1.00 0.00 H new ATOM 149 N GLU A 509 9.214 -9.153 2.499 1.00 0.00 N ATOM 150 CA GLU A 509 10.235 -8.117 2.384 1.00 0.00 C ATOM 151 C GLU A 509 9.579 -6.746 2.280 1.00 0.00 C ATOM 152 O GLU A 509 9.881 -5.847 3.064 1.00 0.00 O ATOM 153 CB GLU A 509 11.100 -8.367 1.147 1.00 0.00 C ATOM 154 CG GLU A 509 11.754 -9.745 1.250 1.00 0.00 C ATOM 155 CD GLU A 509 12.669 -9.979 0.052 1.00 0.00 C ATOM 156 OE1 GLU A 509 12.714 -9.117 -0.810 1.00 0.00 O ATOM 157 OE2 GLU A 509 13.312 -11.016 0.016 1.00 0.00 O ATOM 0 H GLU A 509 9.331 -9.942 1.863 1.00 0.00 H new ATOM 0 HA GLU A 509 10.865 -8.147 3.273 1.00 0.00 H new ATOM 0 HB2 GLU A 509 10.489 -8.309 0.246 1.00 0.00 H new ATOM 0 HB3 GLU A 509 11.865 -7.595 1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 509 12.326 -9.817 2.175 1.00 0.00 H new ATOM 0 HG3 GLU A 509 10.987 -10.519 1.289 1.00 0.00 H new ATOM 164 N LEU A 510 8.678 -6.588 1.315 1.00 0.00 N ATOM 165 CA LEU A 510 7.990 -5.316 1.131 1.00 0.00 C ATOM 166 C LEU A 510 7.385 -4.859 2.459 1.00 0.00 C ATOM 167 O LEU A 510 7.525 -3.702 2.854 1.00 0.00 O ATOM 168 CB LEU A 510 6.886 -5.470 0.053 1.00 0.00 C ATOM 169 CG LEU A 510 7.346 -4.873 -1.291 1.00 0.00 C ATOM 170 CD1 LEU A 510 8.515 -5.688 -1.862 1.00 0.00 C ATOM 171 CD2 LEU A 510 6.177 -4.894 -2.283 1.00 0.00 C ATOM 0 H LEU A 510 8.410 -7.318 0.655 1.00 0.00 H new ATOM 0 HA LEU A 510 8.702 -4.562 0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 510 6.643 -6.525 -0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 510 5.975 -4.971 0.385 1.00 0.00 H new ATOM 0 HG LEU A 510 7.676 -3.847 -1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 510 8.830 -5.256 -2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 510 9.349 -5.669 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 510 8.197 -6.719 -2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 510 6.500 -4.472 -3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 510 5.847 -5.922 -2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 510 5.352 -4.303 -1.885 1.00 0.00 H new ATOM 183 N HIS A 511 6.705 -5.774 3.137 1.00 0.00 N ATOM 184 CA HIS A 511 6.080 -5.455 4.412 1.00 0.00 C ATOM 185 C HIS A 511 7.111 -4.983 5.429 1.00 0.00 C ATOM 186 O HIS A 511 6.924 -3.967 6.099 1.00 0.00 O ATOM 187 CB HIS A 511 5.375 -6.685 4.967 1.00 0.00 C ATOM 188 CG HIS A 511 4.705 -6.318 6.257 1.00 0.00 C ATOM 189 ND1 HIS A 511 5.303 -6.515 7.492 1.00 0.00 N ATOM 190 CD2 HIS A 511 3.489 -5.752 6.514 1.00 0.00 C ATOM 191 CE1 HIS A 511 4.448 -6.070 8.430 1.00 0.00 C ATOM 192 NE2 HIS A 511 3.324 -5.593 7.887 1.00 0.00 N ATOM 0 H HIS A 511 6.573 -6.737 2.827 1.00 0.00 H new ATOM 0 HA HIS A 511 5.362 -4.654 4.238 1.00 0.00 H new ATOM 0 HB2 HIS A 511 4.640 -7.053 4.252 1.00 0.00 H new ATOM 0 HB3 HIS A 511 6.092 -7.490 5.130 1.00 0.00 H new ATOM 0 HD2 HIS A 511 2.764 -5.470 5.765 1.00 0.00 H new ATOM 0 HE1 HIS A 511 4.646 -6.095 9.491 1.00 0.00 H new ATOM 0 HE2 HIS A 511 2.519 -5.198 8.373 1.00 0.00 H new ATOM 201 N ARG A 512 8.195 -5.742 5.540 1.00 0.00 N ATOM 202 CA ARG A 512 9.263 -5.426 6.480 1.00 0.00 C ATOM 203 C ARG A 512 9.765 -3.990 6.298 1.00 0.00 C ATOM 204 O ARG A 512 9.774 -3.205 7.247 1.00 0.00 O ATOM 205 CB ARG A 512 10.422 -6.421 6.262 1.00 0.00 C ATOM 206 CG ARG A 512 11.156 -6.701 7.586 1.00 0.00 C ATOM 207 CD ARG A 512 10.456 -7.843 8.344 1.00 0.00 C ATOM 208 NE ARG A 512 9.033 -7.871 8.025 1.00 0.00 N ATOM 209 CZ ARG A 512 8.171 -8.530 8.794 1.00 0.00 C ATOM 210 NH1 ARG A 512 8.592 -9.145 9.863 1.00 0.00 N ATOM 211 NH2 ARG A 512 6.905 -8.561 8.480 1.00 0.00 N ATOM 0 H ARG A 512 8.357 -6.584 4.988 1.00 0.00 H new ATOM 0 HA ARG A 512 8.875 -5.511 7.495 1.00 0.00 H new ATOM 0 HB2 ARG A 512 10.035 -7.353 5.851 1.00 0.00 H new ATOM 0 HB3 ARG A 512 11.122 -6.017 5.531 1.00 0.00 H new ATOM 0 HG2 ARG A 512 12.194 -6.968 7.387 1.00 0.00 H new ATOM 0 HG3 ARG A 512 11.171 -5.801 8.201 1.00 0.00 H new ATOM 0 HD2 ARG A 512 10.913 -8.797 8.079 1.00 0.00 H new ATOM 0 HD3 ARG A 512 10.592 -7.712 9.418 1.00 0.00 H new ATOM 0 HE ARG A 512 8.694 -7.377 7.199 1.00 0.00 H new ATOM 0 HH11 ARG A 512 9.582 -9.121 10.109 1.00 0.00 H new ATOM 0 HH12 ARG A 512 7.932 -9.651 10.454 1.00 0.00 H new ATOM 0 HH21 ARG A 512 6.575 -8.079 7.644 1.00 0.00 H new ATOM 0 HH22 ARG A 512 6.245 -9.067 9.071 1.00 0.00 H new ATOM 225 N ARG A 513 10.201 -3.662 5.086 1.00 0.00 N ATOM 226 CA ARG A 513 10.722 -2.326 4.814 1.00 0.00 C ATOM 227 C ARG A 513 9.634 -1.264 4.943 1.00 0.00 C ATOM 228 O ARG A 513 9.903 -0.151 5.394 1.00 0.00 O ATOM 229 CB ARG A 513 11.334 -2.269 3.412 1.00 0.00 C ATOM 230 CG ARG A 513 10.266 -2.590 2.368 1.00 0.00 C ATOM 231 CD ARG A 513 10.900 -2.607 0.976 1.00 0.00 C ATOM 232 NE ARG A 513 11.592 -1.349 0.717 1.00 0.00 N ATOM 233 CZ ARG A 513 11.882 -0.965 -0.521 1.00 0.00 C ATOM 234 NH1 ARG A 513 11.548 -1.720 -1.533 1.00 0.00 N ATOM 235 NH2 ARG A 513 12.500 0.166 -0.728 1.00 0.00 N ATOM 0 H ARG A 513 10.205 -4.294 4.285 1.00 0.00 H new ATOM 0 HA ARG A 513 11.493 -2.117 5.556 1.00 0.00 H new ATOM 0 HB2 ARG A 513 11.751 -1.279 3.227 1.00 0.00 H new ATOM 0 HB3 ARG A 513 12.156 -2.980 3.335 1.00 0.00 H new ATOM 0 HG2 ARG A 513 9.811 -3.557 2.584 1.00 0.00 H new ATOM 0 HG3 ARG A 513 9.469 -1.847 2.407 1.00 0.00 H new ATOM 0 HD2 ARG A 513 11.601 -3.438 0.899 1.00 0.00 H new ATOM 0 HD3 ARG A 513 10.131 -2.768 0.221 1.00 0.00 H new ATOM 0 HE ARG A 513 11.858 -0.753 1.501 1.00 0.00 H new ATOM 0 HH11 ARG A 513 11.065 -2.604 -1.372 1.00 0.00 H new ATOM 0 HH12 ARG A 513 11.770 -1.426 -2.484 1.00 0.00 H new ATOM 0 HH21 ARG A 513 12.761 0.756 0.062 1.00 0.00 H new ATOM 0 HH22 ARG A 513 12.722 0.459 -1.679 1.00 0.00 H new ATOM 249 N LEU A 514 8.409 -1.604 4.553 1.00 0.00 N ATOM 250 CA LEU A 514 7.303 -0.653 4.637 1.00 0.00 C ATOM 251 C LEU A 514 7.089 -0.209 6.084 1.00 0.00 C ATOM 252 O LEU A 514 6.887 0.974 6.360 1.00 0.00 O ATOM 253 CB LEU A 514 6.009 -1.301 4.095 1.00 0.00 C ATOM 254 CG LEU A 514 5.840 -1.012 2.591 1.00 0.00 C ATOM 255 CD1 LEU A 514 4.917 -2.065 1.969 1.00 0.00 C ATOM 256 CD2 LEU A 514 5.217 0.376 2.382 1.00 0.00 C ATOM 0 H LEU A 514 8.158 -2.519 4.180 1.00 0.00 H new ATOM 0 HA LEU A 514 7.550 0.221 4.034 1.00 0.00 H new ATOM 0 HB2 LEU A 514 6.039 -2.378 4.262 1.00 0.00 H new ATOM 0 HB3 LEU A 514 5.148 -0.917 4.642 1.00 0.00 H new ATOM 0 HG LEU A 514 6.821 -1.044 2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 514 4.797 -1.861 0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 514 5.353 -3.055 2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 514 3.943 -2.029 2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 514 5.103 0.567 1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 514 4.240 0.412 2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 514 5.865 1.135 2.819 1.00 0.00 H new ATOM 268 N MET A 515 7.106 -1.174 6.994 1.00 0.00 N ATOM 269 CA MET A 515 6.882 -0.886 8.404 1.00 0.00 C ATOM 270 C MET A 515 7.828 0.191 8.913 1.00 0.00 C ATOM 271 O MET A 515 7.436 1.039 9.718 1.00 0.00 O ATOM 272 CB MET A 515 7.057 -2.165 9.229 1.00 0.00 C ATOM 273 CG MET A 515 6.638 -1.915 10.684 1.00 0.00 C ATOM 274 SD MET A 515 7.983 -1.087 11.568 1.00 0.00 S ATOM 275 CE MET A 515 7.062 -0.714 13.081 1.00 0.00 C ATOM 0 H MET A 515 7.272 -2.158 6.782 1.00 0.00 H new ATOM 0 HA MET A 515 5.863 -0.514 8.513 1.00 0.00 H new ATOM 0 HB2 MET A 515 6.456 -2.968 8.802 1.00 0.00 H new ATOM 0 HB3 MET A 515 8.096 -2.491 9.193 1.00 0.00 H new ATOM 0 HG2 MET A 515 5.738 -1.301 10.714 1.00 0.00 H new ATOM 0 HG3 MET A 515 6.396 -2.860 11.171 1.00 0.00 H new ATOM 0 HE1 MET A 515 7.712 -0.192 13.783 1.00 0.00 H new ATOM 0 HE2 MET A 515 6.207 -0.083 12.840 1.00 0.00 H new ATOM 0 HE3 MET A 515 6.712 -1.642 13.532 1.00 0.00 H new ATOM 285 N THR A 516 9.071 0.161 8.449 1.00 0.00 N ATOM 286 CA THR A 516 10.061 1.149 8.874 1.00 0.00 C ATOM 287 C THR A 516 10.076 2.332 7.917 1.00 0.00 C ATOM 288 O THR A 516 10.509 3.423 8.277 1.00 0.00 O ATOM 289 CB THR A 516 11.448 0.507 8.914 1.00 0.00 C ATOM 290 OG1 THR A 516 11.830 0.127 7.599 1.00 0.00 O ATOM 291 CG2 THR A 516 11.415 -0.728 9.815 1.00 0.00 C ATOM 0 H THR A 516 9.418 -0.530 7.784 1.00 0.00 H new ATOM 0 HA THR A 516 9.794 1.504 9.869 1.00 0.00 H new ATOM 0 HB THR A 516 12.169 1.223 9.310 1.00 0.00 H new ATOM 0 HG1 THR A 516 11.037 0.094 7.025 1.00 0.00 H new ATOM 0 HG21 THR A 516 12.404 -1.185 9.843 1.00 0.00 H new ATOM 0 HG22 THR A 516 11.122 -0.435 10.823 1.00 0.00 H new ATOM 0 HG23 THR A 516 10.695 -1.446 9.422 1.00 0.00 H new ATOM 299 N LEU A 517 9.626 2.100 6.688 1.00 0.00 N ATOM 300 CA LEU A 517 9.618 3.151 5.673 1.00 0.00 C ATOM 301 C LEU A 517 8.896 4.399 6.172 1.00 0.00 C ATOM 302 O LEU A 517 7.740 4.336 6.592 1.00 0.00 O ATOM 303 CB LEU A 517 8.939 2.637 4.398 1.00 0.00 C ATOM 304 CG LEU A 517 9.052 3.670 3.268 1.00 0.00 C ATOM 305 CD1 LEU A 517 10.529 3.940 2.925 1.00 0.00 C ATOM 306 CD2 LEU A 517 8.333 3.119 2.032 1.00 0.00 C ATOM 0 H LEU A 517 9.264 1.201 6.371 1.00 0.00 H new ATOM 0 HA LEU A 517 10.652 3.420 5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 517 9.400 1.699 4.087 1.00 0.00 H new ATOM 0 HB3 LEU A 517 7.889 2.425 4.600 1.00 0.00 H new ATOM 0 HG LEU A 517 8.597 4.607 3.589 1.00 0.00 H new ATOM 0 HD11 LEU A 517 10.588 4.675 2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 517 11.043 4.324 3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 517 11.003 3.013 2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 517 8.403 3.841 1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 517 8.799 2.182 1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 517 7.284 2.942 2.270 1.00 0.00 H new ATOM 318 N ARG A 518 9.588 5.540 6.115 1.00 0.00 N ATOM 319 CA ARG A 518 9.016 6.814 6.552 1.00 0.00 C ATOM 320 C ARG A 518 8.682 7.676 5.336 1.00 0.00 C ATOM 321 O ARG A 518 7.826 8.558 5.400 1.00 0.00 O ATOM 322 CB ARG A 518 10.003 7.572 7.456 1.00 0.00 C ATOM 323 CG ARG A 518 11.429 7.490 6.873 1.00 0.00 C ATOM 324 CD ARG A 518 12.139 6.221 7.377 1.00 0.00 C ATOM 325 NE ARG A 518 12.905 6.519 8.581 1.00 0.00 N ATOM 326 CZ ARG A 518 13.286 5.553 9.412 1.00 0.00 C ATOM 327 NH1 ARG A 518 12.976 4.313 9.152 1.00 0.00 N ATOM 328 NH2 ARG A 518 13.966 5.845 10.485 1.00 0.00 N ATOM 0 H ARG A 518 10.546 5.606 5.770 1.00 0.00 H new ATOM 0 HA ARG A 518 8.108 6.606 7.118 1.00 0.00 H new ATOM 0 HB2 ARG A 518 9.698 8.615 7.546 1.00 0.00 H new ATOM 0 HB3 ARG A 518 9.988 7.148 8.460 1.00 0.00 H new ATOM 0 HG2 ARG A 518 11.384 7.482 5.784 1.00 0.00 H new ATOM 0 HG3 ARG A 518 11.999 8.373 7.162 1.00 0.00 H new ATOM 0 HD2 ARG A 518 11.405 5.443 7.587 1.00 0.00 H new ATOM 0 HD3 ARG A 518 12.801 5.833 6.602 1.00 0.00 H new ATOM 0 HE ARG A 518 13.153 7.486 8.790 1.00 0.00 H new ATOM 0 HH11 ARG A 518 12.443 4.086 8.313 1.00 0.00 H new ATOM 0 HH12 ARG A 518 13.267 3.570 9.788 1.00 0.00 H new ATOM 0 HH21 ARG A 518 14.206 6.815 10.688 1.00 0.00 H new ATOM 0 HH22 ARG A 518 14.258 5.103 11.122 1.00 0.00 H new ATOM 342 N GLU A 519 9.375 7.409 4.233 1.00 0.00 N ATOM 343 CA GLU A 519 9.169 8.154 2.995 1.00 0.00 C ATOM 344 C GLU A 519 7.677 8.438 2.778 1.00 0.00 C ATOM 345 O GLU A 519 6.926 7.566 2.344 1.00 0.00 O ATOM 346 CB GLU A 519 9.749 7.341 1.815 1.00 0.00 C ATOM 347 CG GLU A 519 10.499 8.259 0.835 1.00 0.00 C ATOM 348 CD GLU A 519 9.637 9.463 0.478 1.00 0.00 C ATOM 349 OE1 GLU A 519 8.429 9.309 0.439 1.00 0.00 O ATOM 350 OE2 GLU A 519 10.199 10.521 0.249 1.00 0.00 O ATOM 0 H GLU A 519 10.086 6.680 4.171 1.00 0.00 H new ATOM 0 HA GLU A 519 9.683 9.113 3.059 1.00 0.00 H new ATOM 0 HB2 GLU A 519 10.426 6.575 2.193 1.00 0.00 H new ATOM 0 HB3 GLU A 519 8.944 6.825 1.293 1.00 0.00 H new ATOM 0 HG2 GLU A 519 11.435 8.593 1.282 1.00 0.00 H new ATOM 0 HG3 GLU A 519 10.756 7.706 -0.068 1.00 0.00 H new ATOM 357 N ARG A 520 7.261 9.659 3.095 1.00 0.00 N ATOM 358 CA ARG A 520 5.862 10.048 2.944 1.00 0.00 C ATOM 359 C ARG A 520 5.491 10.226 1.473 1.00 0.00 C ATOM 360 O ARG A 520 4.349 9.984 1.079 1.00 0.00 O ATOM 361 CB ARG A 520 5.606 11.352 3.700 1.00 0.00 C ATOM 362 CG ARG A 520 6.168 11.230 5.117 1.00 0.00 C ATOM 363 CD ARG A 520 5.850 12.500 5.909 1.00 0.00 C ATOM 364 NE ARG A 520 6.109 12.284 7.327 1.00 0.00 N ATOM 365 CZ ARG A 520 5.662 13.131 8.246 1.00 0.00 C ATOM 366 NH1 ARG A 520 4.980 14.184 7.888 1.00 0.00 N ATOM 367 NH2 ARG A 520 5.905 12.910 9.510 1.00 0.00 N ATOM 0 H ARG A 520 7.869 10.394 3.457 1.00 0.00 H new ATOM 0 HA ARG A 520 5.242 9.252 3.357 1.00 0.00 H new ATOM 0 HB2 ARG A 520 6.077 12.186 3.180 1.00 0.00 H new ATOM 0 HB3 ARG A 520 4.537 11.561 3.737 1.00 0.00 H new ATOM 0 HG2 ARG A 520 5.738 10.362 5.616 1.00 0.00 H new ATOM 0 HG3 ARG A 520 7.246 11.074 5.079 1.00 0.00 H new ATOM 0 HD2 ARG A 520 6.457 13.328 5.543 1.00 0.00 H new ATOM 0 HD3 ARG A 520 4.807 12.779 5.760 1.00 0.00 H new ATOM 0 HE ARG A 520 6.644 11.466 7.619 1.00 0.00 H new ATOM 0 HH11 ARG A 520 4.790 14.357 6.901 1.00 0.00 H new ATOM 0 HH12 ARG A 520 4.637 14.834 8.595 1.00 0.00 H new ATOM 0 HH21 ARG A 520 6.438 12.087 9.791 1.00 0.00 H new ATOM 0 HH22 ARG A 520 5.562 13.561 10.217 1.00 0.00 H new ATOM 381 N HIS A 521 6.455 10.655 0.665 1.00 0.00 N ATOM 382 CA HIS A 521 6.209 10.867 -0.758 1.00 0.00 C ATOM 383 C HIS A 521 5.699 9.591 -1.424 1.00 0.00 C ATOM 384 O HIS A 521 4.844 9.644 -2.308 1.00 0.00 O ATOM 385 CB HIS A 521 7.494 11.327 -1.454 1.00 0.00 C ATOM 386 CG HIS A 521 7.163 11.890 -2.810 1.00 0.00 C ATOM 387 ND1 HIS A 521 6.373 11.206 -3.720 1.00 0.00 N ATOM 388 CD2 HIS A 521 7.504 13.071 -3.420 1.00 0.00 C ATOM 389 CE1 HIS A 521 6.265 11.974 -4.820 1.00 0.00 C ATOM 390 NE2 HIS A 521 6.937 13.121 -4.691 1.00 0.00 N ATOM 0 H HIS A 521 7.407 10.862 0.967 1.00 0.00 H new ATOM 0 HA HIS A 521 5.445 11.639 -0.854 1.00 0.00 H new ATOM 0 HB2 HIS A 521 7.996 12.082 -0.849 1.00 0.00 H new ATOM 0 HB3 HIS A 521 8.184 10.489 -1.556 1.00 0.00 H new ATOM 0 HD1 HIS A 521 5.950 10.288 -3.582 1.00 0.00 H new ATOM 0 HD2 HIS A 521 8.118 13.844 -2.981 1.00 0.00 H new ATOM 0 HE1 HIS A 521 5.703 11.697 -5.700 1.00 0.00 H new ATOM 399 N ILE A 522 6.232 8.447 -1.007 1.00 0.00 N ATOM 400 CA ILE A 522 5.824 7.169 -1.583 1.00 0.00 C ATOM 401 C ILE A 522 4.511 6.688 -0.979 1.00 0.00 C ATOM 402 O ILE A 522 3.565 6.365 -1.697 1.00 0.00 O ATOM 403 CB ILE A 522 6.913 6.123 -1.336 1.00 0.00 C ATOM 404 CG1 ILE A 522 8.291 6.703 -1.686 1.00 0.00 C ATOM 405 CG2 ILE A 522 6.639 4.902 -2.205 1.00 0.00 C ATOM 406 CD1 ILE A 522 8.244 7.398 -3.049 1.00 0.00 C ATOM 0 H ILE A 522 6.942 8.378 -0.278 1.00 0.00 H new ATOM 0 HA ILE A 522 5.679 7.309 -2.654 1.00 0.00 H new ATOM 0 HB ILE A 522 6.907 5.838 -0.284 1.00 0.00 H new ATOM 0 HG12 ILE A 522 8.600 7.413 -0.919 1.00 0.00 H new ATOM 0 HG13 ILE A 522 9.035 5.907 -1.702 1.00 0.00 H new ATOM 0 HG21 ILE A 522 7.412 4.153 -2.034 1.00 0.00 H new ATOM 0 HG22 ILE A 522 5.665 4.484 -1.949 1.00 0.00 H new ATOM 0 HG23 ILE A 522 6.644 5.194 -3.255 1.00 0.00 H new ATOM 0 HD11 ILE A 522 9.228 7.804 -3.284 1.00 0.00 H new ATOM 0 HD12 ILE A 522 7.956 6.678 -3.815 1.00 0.00 H new ATOM 0 HD13 ILE A 522 7.515 8.207 -3.020 1.00 0.00 H new ATOM 418 N LEU A 523 4.464 6.651 0.344 1.00 0.00 N ATOM 419 CA LEU A 523 3.263 6.214 1.053 1.00 0.00 C ATOM 420 C LEU A 523 2.031 6.882 0.439 1.00 0.00 C ATOM 421 O LEU A 523 0.931 6.336 0.495 1.00 0.00 O ATOM 422 CB LEU A 523 3.392 6.571 2.554 1.00 0.00 C ATOM 423 CG LEU A 523 3.846 5.347 3.372 1.00 0.00 C ATOM 424 CD1 LEU A 523 5.245 4.898 2.931 1.00 0.00 C ATOM 425 CD2 LEU A 523 3.888 5.713 4.861 1.00 0.00 C ATOM 0 H LEU A 523 5.240 6.917 0.950 1.00 0.00 H new ATOM 0 HA LEU A 523 3.151 5.134 0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 523 4.108 7.383 2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 523 2.434 6.930 2.930 1.00 0.00 H new ATOM 0 HG LEU A 523 3.139 4.535 3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 523 5.551 4.032 3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 523 5.225 4.631 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 523 5.954 5.711 3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 523 4.209 4.847 5.440 1.00 0.00 H new ATOM 0 HD22 LEU A 523 4.590 6.533 5.015 1.00 0.00 H new ATOM 0 HD23 LEU A 523 2.895 6.020 5.188 1.00 0.00 H new ATOM 437 N GLN A 524 2.216 8.059 -0.142 1.00 0.00 N ATOM 438 CA GLN A 524 1.100 8.771 -0.753 1.00 0.00 C ATOM 439 C GLN A 524 0.740 8.154 -2.102 1.00 0.00 C ATOM 440 O GLN A 524 -0.433 7.952 -2.412 1.00 0.00 O ATOM 441 CB GLN A 524 1.459 10.247 -0.944 1.00 0.00 C ATOM 442 CG GLN A 524 0.190 11.047 -1.245 1.00 0.00 C ATOM 443 CD GLN A 524 0.558 12.428 -1.774 1.00 0.00 C ATOM 444 OE1 GLN A 524 0.254 13.439 -1.140 1.00 0.00 O ATOM 445 NE2 GLN A 524 1.200 12.532 -2.905 1.00 0.00 N ATOM 0 H GLN A 524 3.115 8.537 -0.204 1.00 0.00 H new ATOM 0 HA GLN A 524 0.239 8.690 -0.089 1.00 0.00 H new ATOM 0 HB2 GLN A 524 1.941 10.634 -0.046 1.00 0.00 H new ATOM 0 HB3 GLN A 524 2.172 10.356 -1.761 1.00 0.00 H new ATOM 0 HG2 GLN A 524 -0.418 10.518 -1.979 1.00 0.00 H new ATOM 0 HG3 GLN A 524 -0.412 11.143 -0.342 1.00 0.00 H new ATOM 0 HE21 GLN A 524 1.451 11.693 -3.428 1.00 0.00 H new ATOM 0 HE22 GLN A 524 1.451 13.452 -3.266 1.00 0.00 H new ATOM 454 N GLN A 525 1.762 7.859 -2.901 1.00 0.00 N ATOM 455 CA GLN A 525 1.547 7.268 -4.218 1.00 0.00 C ATOM 456 C GLN A 525 0.903 5.890 -4.098 1.00 0.00 C ATOM 457 O GLN A 525 -0.102 5.604 -4.751 1.00 0.00 O ATOM 458 CB GLN A 525 2.883 7.142 -4.955 1.00 0.00 C ATOM 459 CG GLN A 525 3.501 8.530 -5.136 1.00 0.00 C ATOM 460 CD GLN A 525 2.759 9.292 -6.229 1.00 0.00 C ATOM 461 OE1 GLN A 525 2.416 10.460 -6.050 1.00 0.00 O ATOM 462 NE2 GLN A 525 2.490 8.696 -7.358 1.00 0.00 N ATOM 0 H GLN A 525 2.741 8.018 -2.662 1.00 0.00 H new ATOM 0 HA GLN A 525 0.876 7.919 -4.779 1.00 0.00 H new ATOM 0 HB2 GLN A 525 3.562 6.501 -4.392 1.00 0.00 H new ATOM 0 HB3 GLN A 525 2.731 6.671 -5.926 1.00 0.00 H new ATOM 0 HG2 GLN A 525 3.453 9.084 -4.198 1.00 0.00 H new ATOM 0 HG3 GLN A 525 4.555 8.437 -5.398 1.00 0.00 H new ATOM 0 HE21 GLN A 525 2.775 7.728 -7.504 1.00 0.00 H new ATOM 0 HE22 GLN A 525 1.994 9.198 -8.094 1.00 0.00 H new ATOM 471 N ILE A 526 1.491 5.039 -3.264 1.00 0.00 N ATOM 472 CA ILE A 526 0.971 3.689 -3.069 1.00 0.00 C ATOM 473 C ILE A 526 -0.484 3.731 -2.622 1.00 0.00 C ATOM 474 O ILE A 526 -1.364 3.177 -3.280 1.00 0.00 O ATOM 475 CB ILE A 526 1.812 2.955 -2.021 1.00 0.00 C ATOM 476 CG1 ILE A 526 3.227 2.760 -2.576 1.00 0.00 C ATOM 477 CG2 ILE A 526 1.178 1.592 -1.704 1.00 0.00 C ATOM 478 CD1 ILE A 526 4.153 2.251 -1.473 1.00 0.00 C ATOM 0 H ILE A 526 2.323 5.257 -2.715 1.00 0.00 H new ATOM 0 HA ILE A 526 1.027 3.157 -4.019 1.00 0.00 H new ATOM 0 HB ILE A 526 1.854 3.540 -1.102 1.00 0.00 H new ATOM 0 HG12 ILE A 526 3.208 2.050 -3.403 1.00 0.00 H new ATOM 0 HG13 ILE A 526 3.604 3.702 -2.973 1.00 0.00 H new ATOM 0 HG21 ILE A 526 1.781 1.075 -0.958 1.00 0.00 H new ATOM 0 HG22 ILE A 526 0.170 1.741 -1.316 1.00 0.00 H new ATOM 0 HG23 ILE A 526 1.132 0.992 -2.613 1.00 0.00 H new ATOM 0 HD11 ILE A 526 5.157 2.115 -1.875 1.00 0.00 H new ATOM 0 HD12 ILE A 526 4.183 2.976 -0.660 1.00 0.00 H new ATOM 0 HD13 ILE A 526 3.781 1.298 -1.096 1.00 0.00 H new ATOM 490 N VAL A 527 -0.729 4.374 -1.487 1.00 0.00 N ATOM 491 CA VAL A 527 -2.080 4.462 -0.947 1.00 0.00 C ATOM 492 C VAL A 527 -3.090 4.739 -2.060 1.00 0.00 C ATOM 493 O VAL A 527 -3.980 3.929 -2.317 1.00 0.00 O ATOM 494 CB VAL A 527 -2.138 5.576 0.110 1.00 0.00 C ATOM 495 CG1 VAL A 527 -3.594 5.836 0.518 1.00 0.00 C ATOM 496 CG2 VAL A 527 -1.324 5.162 1.351 1.00 0.00 C ATOM 0 H VAL A 527 -0.015 4.839 -0.926 1.00 0.00 H new ATOM 0 HA VAL A 527 -2.337 3.509 -0.484 1.00 0.00 H new ATOM 0 HB VAL A 527 -1.715 6.487 -0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 527 -3.626 6.627 1.267 1.00 0.00 H new ATOM 0 HG12 VAL A 527 -4.168 6.141 -0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 527 -4.024 4.925 0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 527 -1.369 5.956 2.097 1.00 0.00 H new ATOM 0 HG22 VAL A 527 -1.740 4.246 1.770 1.00 0.00 H new ATOM 0 HG23 VAL A 527 -0.286 4.991 1.065 1.00 0.00 H new ATOM 506 N ASN A 528 -2.939 5.882 -2.720 1.00 0.00 N ATOM 507 CA ASN A 528 -3.838 6.257 -3.805 1.00 0.00 C ATOM 508 C ASN A 528 -3.940 5.146 -4.851 1.00 0.00 C ATOM 509 O ASN A 528 -4.922 5.072 -5.585 1.00 0.00 O ATOM 510 CB ASN A 528 -3.328 7.534 -4.476 1.00 0.00 C ATOM 511 CG ASN A 528 -4.265 7.936 -5.609 1.00 0.00 C ATOM 512 OD1 ASN A 528 -4.372 7.227 -6.609 1.00 0.00 O ATOM 513 ND2 ASN A 528 -4.954 9.039 -5.512 1.00 0.00 N ATOM 0 H ASN A 528 -2.205 6.563 -2.524 1.00 0.00 H new ATOM 0 HA ASN A 528 -4.828 6.424 -3.381 1.00 0.00 H new ATOM 0 HB2 ASN A 528 -3.263 8.339 -3.744 1.00 0.00 H new ATOM 0 HB3 ASN A 528 -2.322 7.374 -4.864 1.00 0.00 H new ATOM 0 HD21 ASN A 528 -5.583 9.315 -6.266 1.00 0.00 H new ATOM 0 HD22 ASN A 528 -4.864 9.625 -4.682 1.00 0.00 H new ATOM 520 N LEU A 529 -2.921 4.293 -4.925 1.00 0.00 N ATOM 521 CA LEU A 529 -2.918 3.204 -5.901 1.00 0.00 C ATOM 522 C LEU A 529 -3.914 2.123 -5.497 1.00 0.00 C ATOM 523 O LEU A 529 -4.876 1.853 -6.216 1.00 0.00 O ATOM 524 CB LEU A 529 -1.504 2.607 -6.009 1.00 0.00 C ATOM 525 CG LEU A 529 -1.286 1.943 -7.383 1.00 0.00 C ATOM 526 CD1 LEU A 529 -2.374 0.893 -7.634 1.00 0.00 C ATOM 527 CD2 LEU A 529 -1.303 3.003 -8.509 1.00 0.00 C ATOM 0 H LEU A 529 -2.095 4.333 -4.328 1.00 0.00 H new ATOM 0 HA LEU A 529 -3.215 3.601 -6.872 1.00 0.00 H new ATOM 0 HB2 LEU A 529 -0.762 3.391 -5.859 1.00 0.00 H new ATOM 0 HB3 LEU A 529 -1.355 1.872 -5.218 1.00 0.00 H new ATOM 0 HG LEU A 529 -0.311 1.456 -7.382 1.00 0.00 H new ATOM 0 HD11 LEU A 529 -2.213 0.428 -8.607 1.00 0.00 H new ATOM 0 HD12 LEU A 529 -2.331 0.131 -6.856 1.00 0.00 H new ATOM 0 HD13 LEU A 529 -3.353 1.372 -7.618 1.00 0.00 H new ATOM 0 HD21 LEU A 529 -1.147 2.515 -9.471 1.00 0.00 H new ATOM 0 HD22 LEU A 529 -2.266 3.514 -8.513 1.00 0.00 H new ATOM 0 HD23 LEU A 529 -0.508 3.729 -8.338 1.00 0.00 H new ATOM 539 N ILE A 530 -3.671 1.501 -4.353 1.00 0.00 N ATOM 540 CA ILE A 530 -4.553 0.445 -3.884 1.00 0.00 C ATOM 541 C ILE A 530 -5.915 1.019 -3.520 1.00 0.00 C ATOM 542 O ILE A 530 -6.953 0.407 -3.768 1.00 0.00 O ATOM 543 CB ILE A 530 -3.916 -0.290 -2.699 1.00 0.00 C ATOM 544 CG1 ILE A 530 -3.631 0.677 -1.539 1.00 0.00 C ATOM 545 CG2 ILE A 530 -2.596 -0.906 -3.162 1.00 0.00 C ATOM 546 CD1 ILE A 530 -3.382 -0.120 -0.256 1.00 0.00 C ATOM 0 H ILE A 530 -2.882 1.706 -3.740 1.00 0.00 H new ATOM 0 HA ILE A 530 -4.701 -0.280 -4.685 1.00 0.00 H new ATOM 0 HB ILE A 530 -4.606 -1.058 -2.349 1.00 0.00 H new ATOM 0 HG12 ILE A 530 -2.762 1.293 -1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 530 -4.474 1.354 -1.401 1.00 0.00 H new ATOM 0 HG21 ILE A 530 -2.129 -1.433 -2.330 1.00 0.00 H new ATOM 0 HG22 ILE A 530 -2.787 -1.607 -3.975 1.00 0.00 H new ATOM 0 HG23 ILE A 530 -1.929 -0.118 -3.512 1.00 0.00 H new ATOM 0 HD11 ILE A 530 -3.180 0.567 0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 530 -4.263 -0.717 -0.022 1.00 0.00 H new ATOM 0 HD13 ILE A 530 -2.525 -0.779 -0.397 1.00 0.00 H new ATOM 558 N GLU A 531 -5.890 2.218 -2.950 1.00 0.00 N ATOM 559 CA GLU A 531 -7.119 2.891 -2.573 1.00 0.00 C ATOM 560 C GLU A 531 -8.016 2.958 -3.803 1.00 0.00 C ATOM 561 O GLU A 531 -9.193 2.603 -3.758 1.00 0.00 O ATOM 562 CB GLU A 531 -6.825 4.303 -2.058 1.00 0.00 C ATOM 563 CG GLU A 531 -8.099 4.918 -1.470 1.00 0.00 C ATOM 564 CD GLU A 531 -9.034 5.358 -2.590 1.00 0.00 C ATOM 565 OE1 GLU A 531 -8.537 5.818 -3.604 1.00 0.00 O ATOM 566 OE2 GLU A 531 -10.235 5.228 -2.418 1.00 0.00 O ATOM 0 H GLU A 531 -5.037 2.738 -2.742 1.00 0.00 H new ATOM 0 HA GLU A 531 -7.613 2.341 -1.772 1.00 0.00 H new ATOM 0 HB2 GLU A 531 -6.044 4.267 -1.299 1.00 0.00 H new ATOM 0 HB3 GLU A 531 -6.451 4.926 -2.871 1.00 0.00 H new ATOM 0 HG2 GLU A 531 -8.601 4.192 -0.831 1.00 0.00 H new ATOM 0 HG3 GLU A 531 -7.844 5.772 -0.842 1.00 0.00 H new ATOM 573 N GLU A 532 -7.423 3.404 -4.905 1.00 0.00 N ATOM 574 CA GLU A 532 -8.129 3.515 -6.172 1.00 0.00 C ATOM 575 C GLU A 532 -8.557 2.131 -6.665 1.00 0.00 C ATOM 576 O GLU A 532 -9.570 1.987 -7.348 1.00 0.00 O ATOM 577 CB GLU A 532 -7.205 4.198 -7.200 1.00 0.00 C ATOM 578 CG GLU A 532 -7.663 3.908 -8.641 1.00 0.00 C ATOM 579 CD GLU A 532 -7.214 5.025 -9.581 1.00 0.00 C ATOM 580 OE1 GLU A 532 -7.658 6.145 -9.391 1.00 0.00 O ATOM 581 OE2 GLU A 532 -6.433 4.743 -10.475 1.00 0.00 O ATOM 0 H GLU A 532 -6.447 3.696 -4.944 1.00 0.00 H new ATOM 0 HA GLU A 532 -9.029 4.116 -6.040 1.00 0.00 H new ATOM 0 HB2 GLU A 532 -7.198 5.274 -7.028 1.00 0.00 H new ATOM 0 HB3 GLU A 532 -6.182 3.847 -7.063 1.00 0.00 H new ATOM 0 HG2 GLU A 532 -7.251 2.956 -8.975 1.00 0.00 H new ATOM 0 HG3 GLU A 532 -8.748 3.813 -8.672 1.00 0.00 H new ATOM 588 N THR A 533 -7.761 1.120 -6.324 1.00 0.00 N ATOM 589 CA THR A 533 -8.041 -0.250 -6.745 1.00 0.00 C ATOM 590 C THR A 533 -9.275 -0.806 -6.040 1.00 0.00 C ATOM 591 O THR A 533 -10.188 -1.322 -6.684 1.00 0.00 O ATOM 592 CB THR A 533 -6.836 -1.144 -6.439 1.00 0.00 C ATOM 593 OG1 THR A 533 -5.647 -0.496 -6.866 1.00 0.00 O ATOM 594 CG2 THR A 533 -6.986 -2.475 -7.177 1.00 0.00 C ATOM 0 H THR A 533 -6.919 1.224 -5.758 1.00 0.00 H new ATOM 0 HA THR A 533 -8.233 -0.239 -7.818 1.00 0.00 H new ATOM 0 HB THR A 533 -6.784 -1.329 -5.366 1.00 0.00 H new ATOM 0 HG1 THR A 533 -5.552 0.358 -6.394 1.00 0.00 H new ATOM 0 HG21 THR A 533 -6.128 -3.111 -6.959 1.00 0.00 H new ATOM 0 HG22 THR A 533 -7.899 -2.972 -6.849 1.00 0.00 H new ATOM 0 HG23 THR A 533 -7.038 -2.292 -8.250 1.00 0.00 H new ATOM 602 N GLY A 534 -9.298 -0.700 -4.712 1.00 0.00 N ATOM 603 CA GLY A 534 -10.426 -1.198 -3.920 1.00 0.00 C ATOM 604 C GLY A 534 -9.951 -2.167 -2.842 1.00 0.00 C ATOM 605 O GLY A 534 -10.621 -2.357 -1.827 1.00 0.00 O ATOM 0 H GLY A 534 -8.552 -0.275 -4.162 1.00 0.00 H new ATOM 0 HA2 GLY A 534 -10.948 -0.360 -3.457 1.00 0.00 H new ATOM 0 HA3 GLY A 534 -11.141 -1.697 -4.573 1.00 0.00 H new ATOM 609 N HIS A 535 -8.798 -2.786 -3.073 1.00 0.00 N ATOM 610 CA HIS A 535 -8.249 -3.743 -2.120 1.00 0.00 C ATOM 611 C HIS A 535 -7.692 -3.043 -0.880 1.00 0.00 C ATOM 612 O HIS A 535 -6.528 -3.233 -0.528 1.00 0.00 O ATOM 613 CB HIS A 535 -7.134 -4.552 -2.787 1.00 0.00 C ATOM 614 CG HIS A 535 -7.733 -5.519 -3.774 1.00 0.00 C ATOM 615 ND1 HIS A 535 -8.570 -6.594 -3.611 1.00 0.00 N flip ATOM 616 CD2 HIS A 535 -7.486 -5.433 -5.134 1.00 0.00 C flip ATOM 617 CE1 HIS A 535 -8.840 -7.169 -4.849 1.00 0.00 C flip ATOM 618 NE2 HIS A 535 -8.163 -6.430 -5.733 1.00 0.00 N flip ATOM 0 H HIS A 535 -8.229 -2.643 -3.907 1.00 0.00 H new ATOM 0 HA HIS A 535 -9.057 -4.404 -1.806 1.00 0.00 H new ATOM 0 HB2 HIS A 535 -6.439 -3.883 -3.294 1.00 0.00 H new ATOM 0 HB3 HIS A 535 -6.563 -5.093 -2.033 1.00 0.00 H new ATOM 0 HD2 HIS A 535 -6.863 -4.699 -5.625 1.00 0.00 H new ATOM 0 HE1 HIS A 535 -9.463 -8.028 -5.052 1.00 0.00 H new ATOM 0 HE2 HIS A 535 -8.160 -6.601 -6.739 1.00 0.00 H new ATOM 627 N PHE A 536 -8.520 -2.238 -0.214 1.00 0.00 N ATOM 628 CA PHE A 536 -8.079 -1.524 0.988 1.00 0.00 C ATOM 629 C PHE A 536 -9.235 -1.358 1.973 1.00 0.00 C ATOM 630 O PHE A 536 -10.406 -1.403 1.593 1.00 0.00 O ATOM 631 CB PHE A 536 -7.503 -0.152 0.605 1.00 0.00 C ATOM 632 CG PHE A 536 -8.624 0.824 0.309 1.00 0.00 C ATOM 633 CD1 PHE A 536 -9.366 0.701 -0.869 1.00 0.00 C ATOM 634 CD2 PHE A 536 -8.919 1.849 1.215 1.00 0.00 C ATOM 635 CE1 PHE A 536 -10.404 1.599 -1.141 1.00 0.00 C ATOM 636 CE2 PHE A 536 -9.956 2.747 0.943 1.00 0.00 C ATOM 637 CZ PHE A 536 -10.698 2.623 -0.236 1.00 0.00 C ATOM 0 H PHE A 536 -9.489 -2.064 -0.481 1.00 0.00 H new ATOM 0 HA PHE A 536 -7.299 -2.112 1.473 1.00 0.00 H new ATOM 0 HB2 PHE A 536 -6.884 0.230 1.417 1.00 0.00 H new ATOM 0 HB3 PHE A 536 -6.858 -0.251 -0.268 1.00 0.00 H new ATOM 0 HD1 PHE A 536 -9.138 -0.088 -1.570 1.00 0.00 H new ATOM 0 HD2 PHE A 536 -8.345 1.947 2.125 1.00 0.00 H new ATOM 0 HE1 PHE A 536 -10.978 1.501 -2.050 1.00 0.00 H new ATOM 0 HE2 PHE A 536 -10.184 3.537 1.644 1.00 0.00 H new ATOM 0 HZ PHE A 536 -11.497 3.318 -0.447 1.00 0.00 H new ATOM 647 N HIS A 537 -8.884 -1.147 3.241 1.00 0.00 N ATOM 648 CA HIS A 537 -9.872 -0.950 4.303 1.00 0.00 C ATOM 649 C HIS A 537 -9.444 0.217 5.190 1.00 0.00 C ATOM 650 O HIS A 537 -8.254 0.438 5.415 1.00 0.00 O ATOM 651 CB HIS A 537 -9.996 -2.220 5.147 1.00 0.00 C ATOM 652 CG HIS A 537 -11.049 -2.022 6.201 1.00 0.00 C ATOM 653 ND1 HIS A 537 -12.385 -1.836 5.885 1.00 0.00 N ATOM 654 CD2 HIS A 537 -10.979 -1.982 7.571 1.00 0.00 C ATOM 655 CE1 HIS A 537 -13.059 -1.690 7.041 1.00 0.00 C ATOM 656 NE2 HIS A 537 -12.249 -1.771 8.099 1.00 0.00 N ATOM 0 H HIS A 537 -7.916 -1.108 3.560 1.00 0.00 H new ATOM 0 HA HIS A 537 -10.839 -0.728 3.853 1.00 0.00 H new ATOM 0 HB2 HIS A 537 -10.257 -3.067 4.512 1.00 0.00 H new ATOM 0 HB3 HIS A 537 -9.039 -2.454 5.614 1.00 0.00 H new ATOM 0 HD2 HIS A 537 -10.075 -2.097 8.151 1.00 0.00 H new ATOM 0 HE1 HIS A 537 -14.125 -1.527 7.105 1.00 0.00 H new ATOM 0 HE2 HIS A 537 -12.506 -1.695 9.083 1.00 0.00 H new ATOM 665 N ILE A 538 -10.432 0.951 5.704 1.00 0.00 N ATOM 666 CA ILE A 538 -10.176 2.093 6.586 1.00 0.00 C ATOM 667 C ILE A 538 -11.186 2.088 7.731 1.00 0.00 C ATOM 668 O ILE A 538 -12.383 1.908 7.514 1.00 0.00 O ATOM 669 CB ILE A 538 -10.284 3.407 5.800 1.00 0.00 C ATOM 670 CG1 ILE A 538 -9.098 3.507 4.832 1.00 0.00 C ATOM 671 CG2 ILE A 538 -10.258 4.598 6.770 1.00 0.00 C ATOM 672 CD1 ILE A 538 -9.266 4.719 3.908 1.00 0.00 C ATOM 0 H ILE A 538 -11.421 0.775 5.524 1.00 0.00 H new ATOM 0 HA ILE A 538 -9.167 2.011 6.991 1.00 0.00 H new ATOM 0 HB ILE A 538 -11.220 3.424 5.242 1.00 0.00 H new ATOM 0 HG12 ILE A 538 -8.168 3.595 5.394 1.00 0.00 H new ATOM 0 HG13 ILE A 538 -9.027 2.596 4.238 1.00 0.00 H new ATOM 0 HG21 ILE A 538 -10.335 5.528 6.207 1.00 0.00 H new ATOM 0 HG22 ILE A 538 -11.097 4.522 7.462 1.00 0.00 H new ATOM 0 HG23 ILE A 538 -9.323 4.590 7.331 1.00 0.00 H new ATOM 0 HD11 ILE A 538 -8.417 4.777 3.227 1.00 0.00 H new ATOM 0 HD12 ILE A 538 -10.186 4.614 3.333 1.00 0.00 H new ATOM 0 HD13 ILE A 538 -9.314 5.629 4.506 1.00 0.00 H new ATOM 684 N THR A 539 -10.692 2.282 8.953 1.00 0.00 N ATOM 685 CA THR A 539 -11.556 2.293 10.134 1.00 0.00 C ATOM 686 C THR A 539 -11.072 3.332 11.137 1.00 0.00 C ATOM 687 O THR A 539 -9.936 3.804 11.057 1.00 0.00 O ATOM 688 CB THR A 539 -11.554 0.911 10.789 1.00 0.00 C ATOM 689 OG1 THR A 539 -12.081 1.014 12.105 1.00 0.00 O ATOM 690 CG2 THR A 539 -10.124 0.374 10.849 1.00 0.00 C ATOM 0 H THR A 539 -9.703 2.433 9.151 1.00 0.00 H new ATOM 0 HA THR A 539 -12.569 2.548 9.822 1.00 0.00 H new ATOM 0 HB THR A 539 -12.169 0.229 10.203 1.00 0.00 H new ATOM 0 HG1 THR A 539 -12.082 0.130 12.527 1.00 0.00 H new ATOM 0 HG21 THR A 539 -10.124 -0.611 11.316 1.00 0.00 H new ATOM 0 HG22 THR A 539 -9.722 0.296 9.839 1.00 0.00 H new ATOM 0 HG23 THR A 539 -9.505 1.053 11.435 1.00 0.00 H new ATOM 698 N ASN A 540 -11.940 3.688 12.083 1.00 0.00 N ATOM 699 CA ASN A 540 -11.601 4.679 13.105 1.00 0.00 C ATOM 700 C ASN A 540 -10.775 5.815 12.501 1.00 0.00 C ATOM 701 O ASN A 540 -11.322 6.757 11.929 1.00 0.00 O ATOM 702 CB ASN A 540 -10.823 4.012 14.249 1.00 0.00 C ATOM 703 CG ASN A 540 -9.811 3.013 13.692 1.00 0.00 C ATOM 704 OD1 ASN A 540 -8.656 3.365 13.452 1.00 0.00 O ATOM 705 ND2 ASN A 540 -10.179 1.781 13.473 1.00 0.00 N ATOM 0 H ASN A 540 -12.882 3.306 12.164 1.00 0.00 H new ATOM 0 HA ASN A 540 -12.526 5.097 13.501 1.00 0.00 H new ATOM 0 HB2 ASN A 540 -10.308 4.771 14.838 1.00 0.00 H new ATOM 0 HB3 ASN A 540 -11.515 3.503 14.920 1.00 0.00 H new ATOM 0 HD21 ASN A 540 -9.509 1.107 13.102 1.00 0.00 H new ATOM 0 HD22 ASN A 540 -11.136 1.492 13.673 1.00 0.00 H new ATOM 712 N THR A 541 -9.456 5.711 12.626 1.00 0.00 N ATOM 713 CA THR A 541 -8.559 6.727 12.082 1.00 0.00 C ATOM 714 C THR A 541 -7.212 6.108 11.718 1.00 0.00 C ATOM 715 O THR A 541 -6.230 6.262 12.443 1.00 0.00 O ATOM 716 CB THR A 541 -8.348 7.845 13.107 1.00 0.00 C ATOM 717 OG1 THR A 541 -7.888 7.283 14.328 1.00 0.00 O ATOM 718 CG2 THR A 541 -9.667 8.580 13.345 1.00 0.00 C ATOM 0 H THR A 541 -8.985 4.938 13.097 1.00 0.00 H new ATOM 0 HA THR A 541 -9.014 7.142 11.183 1.00 0.00 H new ATOM 0 HB THR A 541 -7.608 8.550 12.729 1.00 0.00 H new ATOM 0 HG1 THR A 541 -7.153 6.661 14.145 1.00 0.00 H new ATOM 0 HG21 THR A 541 -9.514 9.375 14.075 1.00 0.00 H new ATOM 0 HG22 THR A 541 -10.018 9.011 12.407 1.00 0.00 H new ATOM 0 HG23 THR A 541 -10.411 7.879 13.723 1.00 0.00 H new ATOM 726 N THR A 542 -7.178 5.415 10.586 1.00 0.00 N ATOM 727 CA THR A 542 -5.949 4.779 10.124 1.00 0.00 C ATOM 728 C THR A 542 -6.162 4.210 8.721 1.00 0.00 C ATOM 729 O THR A 542 -7.293 4.085 8.257 1.00 0.00 O ATOM 730 CB THR A 542 -5.524 3.660 11.111 1.00 0.00 C ATOM 731 OG1 THR A 542 -6.413 3.660 12.217 1.00 0.00 O ATOM 732 CG2 THR A 542 -4.094 3.897 11.618 1.00 0.00 C ATOM 0 H THR A 542 -7.982 5.279 9.974 1.00 0.00 H new ATOM 0 HA THR A 542 -5.151 5.520 10.084 1.00 0.00 H new ATOM 0 HB THR A 542 -5.558 2.702 10.593 1.00 0.00 H new ATOM 0 HG1 THR A 542 -7.287 3.317 11.934 1.00 0.00 H new ATOM 0 HG21 THR A 542 -3.816 3.101 12.309 1.00 0.00 H new ATOM 0 HG22 THR A 542 -3.405 3.902 10.774 1.00 0.00 H new ATOM 0 HG23 THR A 542 -4.045 4.857 12.132 1.00 0.00 H new ATOM 740 N PHE A 543 -5.065 3.862 8.057 1.00 0.00 N ATOM 741 CA PHE A 543 -5.124 3.299 6.709 1.00 0.00 C ATOM 742 C PHE A 543 -4.404 1.958 6.678 1.00 0.00 C ATOM 743 O PHE A 543 -3.175 1.906 6.619 1.00 0.00 O ATOM 744 CB PHE A 543 -4.471 4.267 5.724 1.00 0.00 C ATOM 745 CG PHE A 543 -4.468 3.664 4.344 1.00 0.00 C ATOM 746 CD1 PHE A 543 -5.604 3.763 3.536 1.00 0.00 C ATOM 747 CD2 PHE A 543 -3.325 3.009 3.870 1.00 0.00 C ATOM 748 CE1 PHE A 543 -5.601 3.207 2.253 1.00 0.00 C ATOM 749 CE2 PHE A 543 -3.320 2.452 2.586 1.00 0.00 C ATOM 750 CZ PHE A 543 -4.459 2.553 1.778 1.00 0.00 C ATOM 0 H PHE A 543 -4.121 3.960 8.430 1.00 0.00 H new ATOM 0 HA PHE A 543 -6.165 3.146 6.425 1.00 0.00 H new ATOM 0 HB2 PHE A 543 -5.012 5.213 5.716 1.00 0.00 H new ATOM 0 HB3 PHE A 543 -3.450 4.486 6.038 1.00 0.00 H new ATOM 0 HD1 PHE A 543 -6.485 4.269 3.903 1.00 0.00 H new ATOM 0 HD2 PHE A 543 -2.447 2.934 4.495 1.00 0.00 H new ATOM 0 HE1 PHE A 543 -6.479 3.282 1.629 1.00 0.00 H new ATOM 0 HE2 PHE A 543 -2.440 1.945 2.219 1.00 0.00 H new ATOM 0 HZ PHE A 543 -4.456 2.125 0.786 1.00 0.00 H new ATOM 760 N ASP A 544 -5.173 0.871 6.732 1.00 0.00 N ATOM 761 CA ASP A 544 -4.601 -0.476 6.726 1.00 0.00 C ATOM 762 C ASP A 544 -4.802 -1.156 5.377 1.00 0.00 C ATOM 763 O ASP A 544 -5.838 -0.993 4.733 1.00 0.00 O ATOM 764 CB ASP A 544 -5.266 -1.317 7.816 1.00 0.00 C ATOM 765 CG ASP A 544 -6.781 -1.269 7.663 1.00 0.00 C ATOM 766 OD1 ASP A 544 -7.331 -0.181 7.738 1.00 0.00 O ATOM 767 OD2 ASP A 544 -7.372 -2.319 7.472 1.00 0.00 O ATOM 0 H ASP A 544 -6.192 0.896 6.780 1.00 0.00 H new ATOM 0 HA ASP A 544 -3.531 -0.391 6.914 1.00 0.00 H new ATOM 0 HB2 ASP A 544 -4.919 -2.348 7.753 1.00 0.00 H new ATOM 0 HB3 ASP A 544 -4.980 -0.944 8.799 1.00 0.00 H new ATOM 772 N PHE A 545 -3.802 -1.934 4.963 1.00 0.00 N ATOM 773 CA PHE A 545 -3.870 -2.657 3.696 1.00 0.00 C ATOM 774 C PHE A 545 -2.962 -3.884 3.745 1.00 0.00 C ATOM 775 O PHE A 545 -1.918 -3.856 4.395 1.00 0.00 O ATOM 776 CB PHE A 545 -3.471 -1.747 2.529 1.00 0.00 C ATOM 777 CG PHE A 545 -2.078 -1.199 2.742 1.00 0.00 C ATOM 778 CD1 PHE A 545 -1.866 -0.163 3.658 1.00 0.00 C ATOM 779 CD2 PHE A 545 -0.999 -1.718 2.011 1.00 0.00 C ATOM 780 CE1 PHE A 545 -0.578 0.354 3.845 1.00 0.00 C ATOM 781 CE2 PHE A 545 0.288 -1.202 2.201 1.00 0.00 C ATOM 782 CZ PHE A 545 0.499 -0.165 3.117 1.00 0.00 C ATOM 0 H PHE A 545 -2.938 -2.079 5.486 1.00 0.00 H new ATOM 0 HA PHE A 545 -4.898 -2.983 3.538 1.00 0.00 H new ATOM 0 HB2 PHE A 545 -3.510 -2.306 1.594 1.00 0.00 H new ATOM 0 HB3 PHE A 545 -4.182 -0.926 2.440 1.00 0.00 H new ATOM 0 HD1 PHE A 545 -2.696 0.238 4.221 1.00 0.00 H new ATOM 0 HD2 PHE A 545 -1.161 -2.516 1.301 1.00 0.00 H new ATOM 0 HE1 PHE A 545 -0.415 1.154 4.552 1.00 0.00 H new ATOM 0 HE2 PHE A 545 1.119 -1.604 1.640 1.00 0.00 H new ATOM 0 HZ PHE A 545 1.492 0.234 3.262 1.00 0.00 H new ATOM 792 N ASP A 546 -3.344 -4.954 3.051 1.00 0.00 N ATOM 793 CA ASP A 546 -2.530 -6.172 3.025 1.00 0.00 C ATOM 794 C ASP A 546 -1.699 -6.217 1.748 1.00 0.00 C ATOM 795 O ASP A 546 -2.141 -5.754 0.697 1.00 0.00 O ATOM 796 CB ASP A 546 -3.431 -7.405 3.100 1.00 0.00 C ATOM 797 CG ASP A 546 -4.509 -7.199 4.157 1.00 0.00 C ATOM 798 OD1 ASP A 546 -4.256 -7.524 5.305 1.00 0.00 O ATOM 799 OD2 ASP A 546 -5.573 -6.718 3.804 1.00 0.00 O ATOM 0 H ASP A 546 -4.203 -5.005 2.503 1.00 0.00 H new ATOM 0 HA ASP A 546 -1.861 -6.167 3.885 1.00 0.00 H new ATOM 0 HB2 ASP A 546 -3.892 -7.588 2.129 1.00 0.00 H new ATOM 0 HB3 ASP A 546 -2.836 -8.286 3.342 1.00 0.00 H new ATOM 804 N LEU A 547 -0.496 -6.780 1.838 1.00 0.00 N ATOM 805 CA LEU A 547 0.381 -6.882 0.678 1.00 0.00 C ATOM 806 C LEU A 547 -0.050 -8.052 -0.200 1.00 0.00 C ATOM 807 O LEU A 547 0.390 -8.185 -1.342 1.00 0.00 O ATOM 808 CB LEU A 547 1.827 -7.119 1.145 1.00 0.00 C ATOM 809 CG LEU A 547 2.462 -5.846 1.751 1.00 0.00 C ATOM 810 CD1 LEU A 547 2.940 -4.904 0.641 1.00 0.00 C ATOM 811 CD2 LEU A 547 1.457 -5.099 2.633 1.00 0.00 C ATOM 0 H LEU A 547 -0.110 -7.170 2.698 1.00 0.00 H new ATOM 0 HA LEU A 547 0.320 -5.955 0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.841 -7.918 1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.429 -7.457 0.301 1.00 0.00 H new ATOM 0 HG LEU A 547 3.311 -6.160 2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 547 3.384 -4.013 1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 547 3.684 -5.413 0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 547 2.093 -4.615 0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 547 1.928 -4.208 3.047 1.00 0.00 H new ATOM 0 HD22 LEU A 547 0.594 -4.808 2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 547 1.133 -5.749 3.446 1.00 0.00 H new ATOM 823 N CYS A 548 -0.908 -8.908 0.350 1.00 0.00 N ATOM 824 CA CYS A 548 -1.393 -10.081 -0.375 1.00 0.00 C ATOM 825 C CYS A 548 -2.641 -9.738 -1.178 1.00 0.00 C ATOM 826 O CYS A 548 -3.052 -10.496 -2.056 1.00 0.00 O ATOM 827 CB CYS A 548 -1.704 -11.208 0.616 1.00 0.00 C ATOM 828 SG CYS A 548 -2.594 -12.536 -0.235 1.00 0.00 S ATOM 0 H CYS A 548 -1.282 -8.812 1.294 1.00 0.00 H new ATOM 0 HA CYS A 548 -0.617 -10.409 -1.067 1.00 0.00 H new ATOM 0 HB2 CYS A 548 -0.779 -11.593 1.046 1.00 0.00 H new ATOM 0 HB3 CYS A 548 -2.304 -10.825 1.441 1.00 0.00 H new ATOM 0 HG CYS A 548 -3.158 -12.063 -1.307 1.00 0.00 H new ATOM 834 N SER A 549 -3.232 -8.587 -0.882 1.00 0.00 N ATOM 835 CA SER A 549 -4.429 -8.149 -1.595 1.00 0.00 C ATOM 836 C SER A 549 -4.045 -7.323 -2.822 1.00 0.00 C ATOM 837 O SER A 549 -4.892 -6.683 -3.445 1.00 0.00 O ATOM 838 CB SER A 549 -5.313 -7.315 -0.666 1.00 0.00 C ATOM 839 OG SER A 549 -6.637 -7.283 -1.185 1.00 0.00 O ATOM 0 H SER A 549 -2.907 -7.944 -0.160 1.00 0.00 H new ATOM 0 HA SER A 549 -4.981 -9.030 -1.923 1.00 0.00 H new ATOM 0 HB2 SER A 549 -5.313 -7.743 0.337 1.00 0.00 H new ATOM 0 HB3 SER A 549 -4.918 -6.303 -0.581 1.00 0.00 H new ATOM 0 HG SER A 549 -7.208 -6.751 -0.592 1.00 0.00 H new ATOM 845 N LEU A 550 -2.757 -7.353 -3.166 1.00 0.00 N ATOM 846 CA LEU A 550 -2.261 -6.615 -4.324 1.00 0.00 C ATOM 847 C LEU A 550 -2.533 -7.396 -5.606 1.00 0.00 C ATOM 848 O LEU A 550 -2.399 -8.619 -5.638 1.00 0.00 O ATOM 849 CB LEU A 550 -0.748 -6.380 -4.205 1.00 0.00 C ATOM 850 CG LEU A 550 -0.412 -5.681 -2.882 1.00 0.00 C ATOM 851 CD1 LEU A 550 1.114 -5.542 -2.760 1.00 0.00 C ATOM 852 CD2 LEU A 550 -1.062 -4.288 -2.847 1.00 0.00 C ATOM 0 H LEU A 550 -2.043 -7.878 -2.661 1.00 0.00 H new ATOM 0 HA LEU A 550 -2.779 -5.657 -4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 550 -0.221 -7.332 -4.263 1.00 0.00 H new ATOM 0 HB3 LEU A 550 -0.402 -5.773 -5.041 1.00 0.00 H new ATOM 0 HG LEU A 550 -0.796 -6.272 -2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 550 1.360 -5.046 -1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 550 1.572 -6.531 -2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 550 1.493 -4.951 -3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 550 -0.819 -3.797 -1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 550 -0.684 -3.689 -3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 550 -2.144 -4.389 -2.936 1.00 0.00 H new ATOM 864 N ASP A 551 -2.899 -6.681 -6.666 1.00 0.00 N ATOM 865 CA ASP A 551 -3.171 -7.321 -7.951 1.00 0.00 C ATOM 866 C ASP A 551 -1.870 -7.521 -8.716 1.00 0.00 C ATOM 867 O ASP A 551 -0.965 -6.690 -8.647 1.00 0.00 O ATOM 868 CB ASP A 551 -4.130 -6.463 -8.778 1.00 0.00 C ATOM 869 CG ASP A 551 -5.372 -6.131 -7.959 1.00 0.00 C ATOM 870 OD1 ASP A 551 -5.700 -6.907 -7.075 1.00 0.00 O ATOM 871 OD2 ASP A 551 -5.977 -5.106 -8.226 1.00 0.00 O ATOM 0 H ASP A 551 -3.014 -5.667 -6.663 1.00 0.00 H new ATOM 0 HA ASP A 551 -3.634 -8.291 -7.768 1.00 0.00 H new ATOM 0 HB2 ASP A 551 -3.633 -5.544 -9.089 1.00 0.00 H new ATOM 0 HB3 ASP A 551 -4.415 -6.994 -9.686 1.00 0.00 H new ATOM 876 N LYS A 552 -1.779 -8.632 -9.440 1.00 0.00 N ATOM 877 CA LYS A 552 -0.578 -8.942 -10.210 1.00 0.00 C ATOM 878 C LYS A 552 -0.025 -7.684 -10.880 1.00 0.00 C ATOM 879 O LYS A 552 1.144 -7.340 -10.705 1.00 0.00 O ATOM 880 CB LYS A 552 -0.895 -10.008 -11.272 1.00 0.00 C ATOM 881 CG LYS A 552 -0.867 -11.406 -10.639 1.00 0.00 C ATOM 882 CD LYS A 552 -1.870 -11.472 -9.485 1.00 0.00 C ATOM 883 CE LYS A 552 -2.049 -12.927 -9.047 1.00 0.00 C ATOM 884 NZ LYS A 552 -0.750 -13.458 -8.545 1.00 0.00 N ATOM 0 H LYS A 552 -2.519 -9.331 -9.510 1.00 0.00 H new ATOM 0 HA LYS A 552 0.179 -9.330 -9.528 1.00 0.00 H new ATOM 0 HB2 LYS A 552 -1.875 -9.817 -11.709 1.00 0.00 H new ATOM 0 HB3 LYS A 552 -0.169 -9.952 -12.083 1.00 0.00 H new ATOM 0 HG2 LYS A 552 -1.110 -12.159 -11.388 1.00 0.00 H new ATOM 0 HG3 LYS A 552 0.136 -11.631 -10.275 1.00 0.00 H new ATOM 0 HD2 LYS A 552 -1.517 -10.870 -8.648 1.00 0.00 H new ATOM 0 HD3 LYS A 552 -2.827 -11.055 -9.797 1.00 0.00 H new ATOM 0 HE2 LYS A 552 -2.807 -12.992 -8.266 1.00 0.00 H new ATOM 0 HE3 LYS A 552 -2.401 -13.529 -9.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 552 -0.909 -14.366 -8.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 552 -0.101 -13.600 -9.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 552 -0.333 -12.779 -7.876 1.00 0.00 H new ATOM 898 N THR A 553 -0.873 -6.998 -11.639 1.00 0.00 N ATOM 899 CA THR A 553 -0.453 -5.779 -12.316 1.00 0.00 C ATOM 900 C THR A 553 -0.126 -4.694 -11.297 1.00 0.00 C ATOM 901 O THR A 553 0.676 -3.799 -11.562 1.00 0.00 O ATOM 902 CB THR A 553 -1.553 -5.292 -13.250 1.00 0.00 C ATOM 903 OG1 THR A 553 -2.063 -6.391 -13.995 1.00 0.00 O ATOM 904 CG2 THR A 553 -0.994 -4.236 -14.204 1.00 0.00 C ATOM 0 H THR A 553 -1.845 -7.262 -11.799 1.00 0.00 H new ATOM 0 HA THR A 553 0.441 -5.998 -12.900 1.00 0.00 H new ATOM 0 HB THR A 553 -2.356 -4.849 -12.661 1.00 0.00 H new ATOM 0 HG1 THR A 553 -2.772 -6.079 -14.595 1.00 0.00 H new ATOM 0 HG21 THR A 553 -1.785 -3.892 -14.870 1.00 0.00 H new ATOM 0 HG22 THR A 553 -0.611 -3.393 -13.629 1.00 0.00 H new ATOM 0 HG23 THR A 553 -0.187 -4.670 -14.794 1.00 0.00 H new ATOM 912 N THR A 554 -0.753 -4.784 -10.127 1.00 0.00 N ATOM 913 CA THR A 554 -0.524 -3.807 -9.067 1.00 0.00 C ATOM 914 C THR A 554 0.728 -4.162 -8.273 1.00 0.00 C ATOM 915 O THR A 554 1.330 -3.302 -7.632 1.00 0.00 O ATOM 916 CB THR A 554 -1.727 -3.757 -8.125 1.00 0.00 C ATOM 917 OG1 THR A 554 -2.874 -3.328 -8.847 1.00 0.00 O ATOM 918 CG2 THR A 554 -1.442 -2.776 -6.987 1.00 0.00 C ATOM 0 H THR A 554 -1.420 -5.519 -9.890 1.00 0.00 H new ATOM 0 HA THR A 554 -0.386 -2.829 -9.529 1.00 0.00 H new ATOM 0 HB THR A 554 -1.908 -4.749 -7.711 1.00 0.00 H new ATOM 0 HG1 THR A 554 -3.647 -3.297 -8.245 1.00 0.00 H new ATOM 0 HG21 THR A 554 -2.299 -2.740 -6.315 1.00 0.00 H new ATOM 0 HG22 THR A 554 -0.562 -3.105 -6.435 1.00 0.00 H new ATOM 0 HG23 THR A 554 -1.262 -1.783 -7.399 1.00 0.00 H new ATOM 926 N VAL A 555 1.124 -5.432 -8.325 1.00 0.00 N ATOM 927 CA VAL A 555 2.315 -5.874 -7.609 1.00 0.00 C ATOM 928 C VAL A 555 3.556 -5.253 -8.245 1.00 0.00 C ATOM 929 O VAL A 555 4.448 -4.766 -7.549 1.00 0.00 O ATOM 930 CB VAL A 555 2.411 -7.405 -7.641 1.00 0.00 C ATOM 931 CG1 VAL A 555 3.787 -7.857 -7.136 1.00 0.00 C ATOM 932 CG2 VAL A 555 1.324 -8.000 -6.738 1.00 0.00 C ATOM 0 H VAL A 555 0.644 -6.164 -8.849 1.00 0.00 H new ATOM 0 HA VAL A 555 2.249 -5.552 -6.570 1.00 0.00 H new ATOM 0 HB VAL A 555 2.274 -7.749 -8.666 1.00 0.00 H new ATOM 0 HG11 VAL A 555 3.845 -8.945 -7.163 1.00 0.00 H new ATOM 0 HG12 VAL A 555 4.565 -7.436 -7.774 1.00 0.00 H new ATOM 0 HG13 VAL A 555 3.931 -7.511 -6.112 1.00 0.00 H new ATOM 0 HG21 VAL A 555 1.389 -9.088 -6.758 1.00 0.00 H new ATOM 0 HG22 VAL A 555 1.466 -7.647 -5.717 1.00 0.00 H new ATOM 0 HG23 VAL A 555 0.343 -7.689 -7.096 1.00 0.00 H new ATOM 942 N ARG A 556 3.597 -5.274 -9.572 1.00 0.00 N ATOM 943 CA ARG A 556 4.725 -4.710 -10.303 1.00 0.00 C ATOM 944 C ARG A 556 4.780 -3.200 -10.098 1.00 0.00 C ATOM 945 O ARG A 556 5.854 -2.598 -10.119 1.00 0.00 O ATOM 946 CB ARG A 556 4.587 -5.031 -11.798 1.00 0.00 C ATOM 947 CG ARG A 556 5.029 -6.481 -12.076 1.00 0.00 C ATOM 948 CD ARG A 556 6.543 -6.541 -12.309 1.00 0.00 C ATOM 949 NE ARG A 556 6.918 -5.673 -13.420 1.00 0.00 N ATOM 950 CZ ARG A 556 8.158 -5.662 -13.895 1.00 0.00 C ATOM 951 NH1 ARG A 556 9.067 -6.436 -13.366 1.00 0.00 N ATOM 952 NH2 ARG A 556 8.470 -4.879 -14.890 1.00 0.00 N ATOM 0 H ARG A 556 2.866 -5.673 -10.161 1.00 0.00 H new ATOM 0 HA ARG A 556 5.648 -5.150 -9.926 1.00 0.00 H new ATOM 0 HB2 ARG A 556 3.553 -4.892 -12.113 1.00 0.00 H new ATOM 0 HB3 ARG A 556 5.194 -4.340 -12.383 1.00 0.00 H new ATOM 0 HG2 ARG A 556 4.758 -7.118 -11.234 1.00 0.00 H new ATOM 0 HG3 ARG A 556 4.504 -6.867 -12.950 1.00 0.00 H new ATOM 0 HD2 ARG A 556 7.070 -6.235 -11.405 1.00 0.00 H new ATOM 0 HD3 ARG A 556 6.845 -7.567 -12.522 1.00 0.00 H new ATOM 0 HE ARG A 556 6.215 -5.064 -13.839 1.00 0.00 H new ATOM 0 HH11 ARG A 556 8.825 -7.049 -12.588 1.00 0.00 H new ATOM 0 HH12 ARG A 556 10.019 -6.427 -13.731 1.00 0.00 H new ATOM 0 HH21 ARG A 556 7.761 -4.274 -15.304 1.00 0.00 H new ATOM 0 HH22 ARG A 556 9.423 -4.872 -15.254 1.00 0.00 H new ATOM 966 N LYS A 557 3.614 -2.595 -9.892 1.00 0.00 N ATOM 967 CA LYS A 557 3.542 -1.159 -9.677 1.00 0.00 C ATOM 968 C LYS A 557 3.926 -0.828 -8.240 1.00 0.00 C ATOM 969 O LYS A 557 4.472 0.238 -7.961 1.00 0.00 O ATOM 970 CB LYS A 557 2.125 -0.658 -9.962 1.00 0.00 C ATOM 971 CG LYS A 557 1.874 -0.664 -11.474 1.00 0.00 C ATOM 972 CD LYS A 557 0.373 -0.553 -11.747 1.00 0.00 C ATOM 973 CE LYS A 557 -0.185 0.690 -11.052 1.00 0.00 C ATOM 974 NZ LYS A 557 0.745 1.837 -11.263 1.00 0.00 N ATOM 0 H LYS A 557 2.714 -3.075 -9.870 1.00 0.00 H new ATOM 0 HA LYS A 557 4.238 -0.665 -10.355 1.00 0.00 H new ATOM 0 HB2 LYS A 557 1.396 -1.293 -9.459 1.00 0.00 H new ATOM 0 HB3 LYS A 557 1.998 0.349 -9.566 1.00 0.00 H new ATOM 0 HG2 LYS A 557 2.401 0.166 -11.943 1.00 0.00 H new ATOM 0 HG3 LYS A 557 2.267 -1.581 -11.914 1.00 0.00 H new ATOM 0 HD2 LYS A 557 0.192 -0.494 -12.820 1.00 0.00 H new ATOM 0 HD3 LYS A 557 -0.139 -1.445 -11.386 1.00 0.00 H new ATOM 0 HE2 LYS A 557 -1.171 0.930 -11.449 1.00 0.00 H new ATOM 0 HE3 LYS A 557 -0.308 0.499 -9.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 0.212 2.729 -11.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 1.475 1.833 -10.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 1.198 1.750 -12.195 1.00 0.00 H new ATOM 988 N LEU A 558 3.639 -1.759 -7.334 1.00 0.00 N ATOM 989 CA LEU A 558 3.956 -1.567 -5.925 1.00 0.00 C ATOM 990 C LEU A 558 5.468 -1.596 -5.717 1.00 0.00 C ATOM 991 O LEU A 558 6.073 -0.598 -5.324 1.00 0.00 O ATOM 992 CB LEU A 558 3.283 -2.670 -5.086 1.00 0.00 C ATOM 993 CG LEU A 558 3.008 -2.180 -3.652 1.00 0.00 C ATOM 994 CD1 LEU A 558 4.301 -1.631 -3.038 1.00 0.00 C ATOM 995 CD2 LEU A 558 1.920 -1.083 -3.652 1.00 0.00 C ATOM 0 H LEU A 558 3.190 -2.649 -7.550 1.00 0.00 H new ATOM 0 HA LEU A 558 3.579 -0.596 -5.604 1.00 0.00 H new ATOM 0 HB2 LEU A 558 2.347 -2.971 -5.557 1.00 0.00 H new ATOM 0 HB3 LEU A 558 3.923 -3.552 -5.057 1.00 0.00 H new ATOM 0 HG LEU A 558 2.652 -3.021 -3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 558 4.104 -1.285 -2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 558 5.055 -2.418 -3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 558 4.665 -0.799 -3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 558 1.740 -0.750 -2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 558 2.254 -0.239 -4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 558 0.998 -1.485 -4.071 1.00 0.00 H new ATOM 1007 N GLN A 559 6.068 -2.749 -5.986 1.00 0.00 N ATOM 1008 CA GLN A 559 7.507 -2.906 -5.830 1.00 0.00 C ATOM 1009 C GLN A 559 8.248 -1.781 -6.546 1.00 0.00 C ATOM 1010 O GLN A 559 9.357 -1.410 -6.160 1.00 0.00 O ATOM 1011 CB GLN A 559 7.944 -4.257 -6.402 1.00 0.00 C ATOM 1012 CG GLN A 559 7.181 -5.387 -5.700 1.00 0.00 C ATOM 1013 CD GLN A 559 7.301 -6.675 -6.507 1.00 0.00 C ATOM 1014 OE1 GLN A 559 7.617 -6.636 -7.697 1.00 0.00 O ATOM 1015 NE2 GLN A 559 7.066 -7.821 -5.929 1.00 0.00 N ATOM 0 H GLN A 559 5.583 -3.585 -6.312 1.00 0.00 H new ATOM 0 HA GLN A 559 7.750 -2.864 -4.768 1.00 0.00 H new ATOM 0 HB2 GLN A 559 7.753 -4.288 -7.475 1.00 0.00 H new ATOM 0 HB3 GLN A 559 9.017 -4.390 -6.266 1.00 0.00 H new ATOM 0 HG2 GLN A 559 7.580 -5.538 -4.697 1.00 0.00 H new ATOM 0 HG3 GLN A 559 6.132 -5.114 -5.588 1.00 0.00 H new ATOM 0 HE21 GLN A 559 6.805 -7.851 -4.944 1.00 0.00 H new ATOM 0 HE22 GLN A 559 7.144 -8.687 -6.463 1.00 0.00 H new ATOM 1024 N SER A 560 7.627 -1.241 -7.593 1.00 0.00 N ATOM 1025 CA SER A 560 8.236 -0.157 -8.359 1.00 0.00 C ATOM 1026 C SER A 560 8.295 1.128 -7.534 1.00 0.00 C ATOM 1027 O SER A 560 9.364 1.712 -7.364 1.00 0.00 O ATOM 1028 CB SER A 560 7.430 0.092 -9.633 1.00 0.00 C ATOM 1029 OG SER A 560 7.746 1.382 -10.142 1.00 0.00 O ATOM 0 H SER A 560 6.709 -1.534 -7.928 1.00 0.00 H new ATOM 0 HA SER A 560 9.253 -0.451 -8.618 1.00 0.00 H new ATOM 0 HB2 SER A 560 7.658 -0.671 -10.377 1.00 0.00 H new ATOM 0 HB3 SER A 560 6.363 0.023 -9.422 1.00 0.00 H new ATOM 0 HG SER A 560 7.232 1.546 -10.960 1.00 0.00 H new ATOM 1035 N TYR A 561 7.145 1.570 -7.035 1.00 0.00 N ATOM 1036 CA TYR A 561 7.092 2.795 -6.241 1.00 0.00 C ATOM 1037 C TYR A 561 8.213 2.816 -5.205 1.00 0.00 C ATOM 1038 O TYR A 561 9.029 3.738 -5.179 1.00 0.00 O ATOM 1039 CB TYR A 561 5.738 2.900 -5.517 1.00 0.00 C ATOM 1040 CG TYR A 561 4.667 3.396 -6.466 1.00 0.00 C ATOM 1041 CD1 TYR A 561 4.771 4.672 -7.035 1.00 0.00 C ATOM 1042 CD2 TYR A 561 3.568 2.583 -6.770 1.00 0.00 C ATOM 1043 CE1 TYR A 561 3.778 5.131 -7.907 1.00 0.00 C ATOM 1044 CE2 TYR A 561 2.578 3.042 -7.641 1.00 0.00 C ATOM 1045 CZ TYR A 561 2.681 4.316 -8.210 1.00 0.00 C ATOM 1046 OH TYR A 561 1.701 4.769 -9.071 1.00 0.00 O ATOM 0 H TYR A 561 6.246 1.105 -7.163 1.00 0.00 H new ATOM 0 HA TYR A 561 7.214 3.641 -6.918 1.00 0.00 H new ATOM 0 HB2 TYR A 561 5.456 1.926 -5.118 1.00 0.00 H new ATOM 0 HB3 TYR A 561 5.824 3.579 -4.669 1.00 0.00 H new ATOM 0 HD1 TYR A 561 5.617 5.301 -6.801 1.00 0.00 H new ATOM 0 HD2 TYR A 561 3.486 1.600 -6.330 1.00 0.00 H new ATOM 0 HE1 TYR A 561 3.858 6.114 -8.346 1.00 0.00 H new ATOM 0 HE2 TYR A 561 1.732 2.413 -7.876 1.00 0.00 H new ATOM 0 HH TYR A 561 1.305 4.008 -9.545 1.00 0.00 H new ATOM 1056 N LEU A 562 8.242 1.802 -4.352 1.00 0.00 N ATOM 1057 CA LEU A 562 9.262 1.723 -3.315 1.00 0.00 C ATOM 1058 C LEU A 562 10.654 1.914 -3.908 1.00 0.00 C ATOM 1059 O LEU A 562 11.448 2.712 -3.411 1.00 0.00 O ATOM 1060 CB LEU A 562 9.185 0.367 -2.610 1.00 0.00 C ATOM 1061 CG LEU A 562 7.768 0.139 -2.064 1.00 0.00 C ATOM 1062 CD1 LEU A 562 7.594 -1.336 -1.711 1.00 0.00 C ATOM 1063 CD2 LEU A 562 7.538 0.987 -0.806 1.00 0.00 C ATOM 0 H LEU A 562 7.577 1.028 -4.356 1.00 0.00 H new ATOM 0 HA LEU A 562 9.079 2.519 -2.594 1.00 0.00 H new ATOM 0 HB2 LEU A 562 9.448 -0.430 -3.306 1.00 0.00 H new ATOM 0 HB3 LEU A 562 9.908 0.330 -1.795 1.00 0.00 H new ATOM 0 HG LEU A 562 7.045 0.430 -2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 562 6.589 -1.501 -1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 562 7.743 -1.944 -2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 562 8.326 -1.618 -0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 562 6.529 0.815 -0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 562 8.263 0.707 -0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 562 7.659 2.042 -1.051 1.00 0.00 H new ATOM 1179 N LYS B 878 -1.214 -13.076 5.654 1.00 0.00 N ATOM 1180 CA LYS B 878 -1.569 -11.670 5.514 1.00 0.00 C ATOM 1181 C LYS B 878 -0.463 -10.798 6.093 1.00 0.00 C ATOM 1182 O LYS B 878 0.318 -11.241 6.934 1.00 0.00 O ATOM 1183 CB LYS B 878 -2.881 -11.383 6.247 1.00 0.00 C ATOM 1184 CG LYS B 878 -3.986 -12.294 5.703 1.00 0.00 C ATOM 1185 CD LYS B 878 -5.361 -11.839 6.231 1.00 0.00 C ATOM 1186 CE LYS B 878 -5.943 -10.745 5.324 1.00 0.00 C ATOM 1187 NZ LYS B 878 -6.046 -11.258 3.929 1.00 0.00 N ATOM 0 HA LYS B 878 -1.694 -11.443 4.455 1.00 0.00 H new ATOM 0 HB2 LYS B 878 -2.755 -11.548 7.317 1.00 0.00 H new ATOM 0 HB3 LYS B 878 -3.161 -10.338 6.116 1.00 0.00 H new ATOM 0 HG2 LYS B 878 -3.982 -12.272 4.613 1.00 0.00 H new ATOM 0 HG3 LYS B 878 -3.797 -13.325 6.002 1.00 0.00 H new ATOM 0 HD2 LYS B 878 -6.042 -12.689 6.271 1.00 0.00 H new ATOM 0 HD3 LYS B 878 -5.261 -11.462 7.249 1.00 0.00 H new ATOM 0 HE2 LYS B 878 -6.926 -10.443 5.685 1.00 0.00 H new ATOM 0 HE3 LYS B 878 -5.308 -9.860 5.351 1.00 0.00 H new ATOM 0 HZ1 LYS B 878 -6.951 -10.957 3.514 1.00 0.00 H new ATOM 0 HZ2 LYS B 878 -5.261 -10.879 3.361 1.00 0.00 H new ATOM 0 HZ3 LYS B 878 -5.998 -12.297 3.937 1.00 0.00 H new ATOM 1201 N LEU B 879 -0.404 -9.559 5.631 1.00 0.00 N ATOM 1202 CA LEU B 879 0.604 -8.605 6.084 1.00 0.00 C ATOM 1203 C LEU B 879 -0.038 -7.221 6.210 1.00 0.00 C ATOM 1204 O LEU B 879 -0.031 -6.456 5.255 1.00 0.00 O ATOM 1205 CB LEU B 879 1.726 -8.528 5.043 1.00 0.00 C ATOM 1206 CG LEU B 879 2.598 -9.801 5.057 1.00 0.00 C ATOM 1207 CD1 LEU B 879 3.259 -9.983 3.682 1.00 0.00 C ATOM 1208 CD2 LEU B 879 3.694 -9.680 6.127 1.00 0.00 C ATOM 0 H LEU B 879 -1.049 -9.185 4.935 1.00 0.00 H new ATOM 0 HA LEU B 879 1.005 -8.924 7.046 1.00 0.00 H new ATOM 0 HB2 LEU B 879 1.295 -8.392 4.051 1.00 0.00 H new ATOM 0 HB3 LEU B 879 2.349 -7.656 5.242 1.00 0.00 H new ATOM 0 HG LEU B 879 1.966 -10.659 5.284 1.00 0.00 H new ATOM 0 HD11 LEU B 879 3.875 -10.882 3.691 1.00 0.00 H new ATOM 0 HD12 LEU B 879 2.488 -10.079 2.918 1.00 0.00 H new ATOM 0 HD13 LEU B 879 3.883 -9.117 3.461 1.00 0.00 H new ATOM 0 HD21 LEU B 879 4.303 -10.584 6.128 1.00 0.00 H new ATOM 0 HD22 LEU B 879 4.324 -8.818 5.907 1.00 0.00 H new ATOM 0 HD23 LEU B 879 3.234 -9.552 7.107 1.00 0.00 H new ATOM 1220 N PRO B 880 -0.610 -6.886 7.335 1.00 0.00 N ATOM 1221 CA PRO B 880 -1.280 -5.567 7.506 1.00 0.00 C ATOM 1222 C PRO B 880 -0.298 -4.423 7.784 1.00 0.00 C ATOM 1223 O PRO B 880 0.660 -4.576 8.544 1.00 0.00 O ATOM 1224 CB PRO B 880 -2.217 -5.808 8.694 1.00 0.00 C ATOM 1225 CG PRO B 880 -1.524 -6.845 9.527 1.00 0.00 C ATOM 1226 CD PRO B 880 -0.691 -7.704 8.559 1.00 0.00 C ATOM 0 HA PRO B 880 -1.795 -5.248 6.600 1.00 0.00 H new ATOM 0 HB2 PRO B 880 -2.381 -4.891 9.260 1.00 0.00 H new ATOM 0 HB3 PRO B 880 -3.195 -6.157 8.362 1.00 0.00 H new ATOM 0 HG2 PRO B 880 -0.886 -6.377 10.276 1.00 0.00 H new ATOM 0 HG3 PRO B 880 -2.248 -7.458 10.063 1.00 0.00 H new ATOM 0 HD2 PRO B 880 0.299 -7.915 8.964 1.00 0.00 H new ATOM 0 HD3 PRO B 880 -1.168 -8.665 8.366 1.00 0.00 H new ATOM 1234 N VAL B 881 -0.573 -3.262 7.177 1.00 0.00 N ATOM 1235 CA VAL B 881 0.253 -2.063 7.369 1.00 0.00 C ATOM 1236 C VAL B 881 -0.635 -0.855 7.610 1.00 0.00 C ATOM 1237 O VAL B 881 -1.259 -0.343 6.684 1.00 0.00 O ATOM 1238 CB VAL B 881 1.104 -1.787 6.131 1.00 0.00 C ATOM 1239 CG1 VAL B 881 2.009 -0.579 6.396 1.00 0.00 C ATOM 1240 CG2 VAL B 881 1.955 -3.010 5.810 1.00 0.00 C ATOM 0 H VAL B 881 -1.364 -3.127 6.547 1.00 0.00 H new ATOM 0 HA VAL B 881 0.901 -2.238 8.228 1.00 0.00 H new ATOM 0 HB VAL B 881 0.454 -1.573 5.282 1.00 0.00 H new ATOM 0 HG11 VAL B 881 2.618 -0.380 5.514 1.00 0.00 H new ATOM 0 HG12 VAL B 881 1.395 0.294 6.618 1.00 0.00 H new ATOM 0 HG13 VAL B 881 2.659 -0.791 7.245 1.00 0.00 H new ATOM 0 HG21 VAL B 881 2.561 -2.810 4.926 1.00 0.00 H new ATOM 0 HG22 VAL B 881 2.607 -3.231 6.655 1.00 0.00 H new ATOM 0 HG23 VAL B 881 1.306 -3.865 5.619 1.00 0.00 H new ATOM 1250 N SER B 882 -0.676 -0.395 8.854 1.00 0.00 N ATOM 1251 CA SER B 882 -1.488 0.764 9.210 1.00 0.00 C ATOM 1252 C SER B 882 -0.670 2.047 9.111 1.00 0.00 C ATOM 1253 O SER B 882 0.431 2.128 9.653 1.00 0.00 O ATOM 1254 CB SER B 882 -2.011 0.608 10.639 1.00 0.00 C ATOM 1255 OG SER B 882 -0.931 0.271 11.498 1.00 0.00 O ATOM 0 H SER B 882 -0.159 -0.804 9.632 1.00 0.00 H new ATOM 0 HA SER B 882 -2.324 0.825 8.514 1.00 0.00 H new ATOM 0 HB2 SER B 882 -2.479 1.535 10.971 1.00 0.00 H new ATOM 0 HB3 SER B 882 -2.776 -0.167 10.676 1.00 0.00 H new ATOM 0 HG SER B 882 -0.139 0.792 11.248 1.00 0.00 H new ATOM 1261 N ILE B 883 -1.209 3.051 8.420 1.00 0.00 N ATOM 1262 CA ILE B 883 -0.521 4.335 8.257 1.00 0.00 C ATOM 1263 C ILE B 883 -1.419 5.474 8.766 1.00 0.00 C ATOM 1264 O ILE B 883 -2.465 5.736 8.170 1.00 0.00 O ATOM 1265 CB ILE B 883 -0.220 4.572 6.773 1.00 0.00 C ATOM 1266 CG1 ILE B 883 0.617 3.412 6.227 1.00 0.00 C ATOM 1267 CG2 ILE B 883 0.554 5.881 6.601 1.00 0.00 C ATOM 1268 CD1 ILE B 883 0.765 3.559 4.709 1.00 0.00 C ATOM 0 H ILE B 883 -2.120 3.002 7.963 1.00 0.00 H new ATOM 0 HA ILE B 883 0.408 4.314 8.827 1.00 0.00 H new ATOM 0 HB ILE B 883 -1.160 4.635 6.225 1.00 0.00 H new ATOM 0 HG12 ILE B 883 1.599 3.404 6.700 1.00 0.00 H new ATOM 0 HG13 ILE B 883 0.140 2.461 6.466 1.00 0.00 H new ATOM 0 HG21 ILE B 883 0.765 6.043 5.544 1.00 0.00 H new ATOM 0 HG22 ILE B 883 -0.042 6.709 6.983 1.00 0.00 H new ATOM 0 HG23 ILE B 883 1.492 5.824 7.153 1.00 0.00 H new ATOM 0 HD11 ILE B 883 1.361 2.733 4.320 1.00 0.00 H new ATOM 0 HD12 ILE B 883 -0.221 3.546 4.244 1.00 0.00 H new ATOM 0 HD13 ILE B 883 1.261 4.503 4.481 1.00 0.00 H new ATOM 1280 N PRO B 884 -1.056 6.163 9.829 1.00 0.00 N ATOM 1281 CA PRO B 884 -1.889 7.281 10.358 1.00 0.00 C ATOM 1282 C PRO B 884 -2.410 8.188 9.242 1.00 0.00 C ATOM 1283 O PRO B 884 -1.651 8.620 8.375 1.00 0.00 O ATOM 1284 CB PRO B 884 -0.927 8.033 11.284 1.00 0.00 C ATOM 1285 CG PRO B 884 0.014 6.984 11.783 1.00 0.00 C ATOM 1286 CD PRO B 884 0.163 5.966 10.642 1.00 0.00 C ATOM 0 HA PRO B 884 -2.786 6.927 10.867 1.00 0.00 H new ATOM 0 HB2 PRO B 884 -0.396 8.820 10.749 1.00 0.00 H new ATOM 0 HB3 PRO B 884 -1.460 8.511 12.106 1.00 0.00 H new ATOM 0 HG2 PRO B 884 0.978 7.419 12.045 1.00 0.00 H new ATOM 0 HG3 PRO B 884 -0.376 6.507 12.682 1.00 0.00 H new ATOM 0 HD2 PRO B 884 1.066 6.148 10.059 1.00 0.00 H new ATOM 0 HD3 PRO B 884 0.229 4.947 11.022 1.00 0.00 H new ATOM 1294 N LEU B 885 -3.710 8.465 9.269 1.00 0.00 N ATOM 1295 CA LEU B 885 -4.324 9.314 8.252 1.00 0.00 C ATOM 1296 C LEU B 885 -3.692 10.699 8.259 1.00 0.00 C ATOM 1297 O LEU B 885 -3.863 11.476 7.318 1.00 0.00 O ATOM 1298 CB LEU B 885 -5.827 9.446 8.510 1.00 0.00 C ATOM 1299 CG LEU B 885 -6.461 8.065 8.696 1.00 0.00 C ATOM 1300 CD1 LEU B 885 -7.976 8.222 8.836 1.00 0.00 C ATOM 1301 CD2 LEU B 885 -6.145 7.175 7.485 1.00 0.00 C ATOM 0 H LEU B 885 -4.355 8.117 9.978 1.00 0.00 H new ATOM 0 HA LEU B 885 -4.160 8.850 7.279 1.00 0.00 H new ATOM 0 HB2 LEU B 885 -5.998 10.054 9.398 1.00 0.00 H new ATOM 0 HB3 LEU B 885 -6.302 9.961 7.675 1.00 0.00 H new ATOM 0 HG LEU B 885 -6.055 7.599 9.594 1.00 0.00 H new ATOM 0 HD11 LEU B 885 -8.433 7.241 8.969 1.00 0.00 H new ATOM 0 HD12 LEU B 885 -8.199 8.846 9.701 1.00 0.00 H new ATOM 0 HD13 LEU B 885 -8.378 8.691 7.938 1.00 0.00 H new ATOM 0 HD21 LEU B 885 -6.600 6.194 7.626 1.00 0.00 H new ATOM 0 HD22 LEU B 885 -6.545 7.635 6.581 1.00 0.00 H new ATOM 0 HD23 LEU B 885 -5.065 7.063 7.387 1.00 0.00 H new ATOM 1313 N ALA B 886 -2.942 10.992 9.312 1.00 0.00 N ATOM 1314 CA ALA B 886 -2.266 12.277 9.421 1.00 0.00 C ATOM 1315 C ALA B 886 -1.019 12.280 8.540 1.00 0.00 C ATOM 1316 O ALA B 886 -0.526 13.339 8.149 1.00 0.00 O ATOM 1317 CB ALA B 886 -1.875 12.533 10.877 1.00 0.00 C ATOM 0 H ALA B 886 -2.787 10.362 10.099 1.00 0.00 H new ATOM 0 HA ALA B 886 -2.940 13.067 9.088 1.00 0.00 H new ATOM 0 HB1 ALA B 886 -1.369 13.496 10.954 1.00 0.00 H new ATOM 0 HB2 ALA B 886 -2.771 12.543 11.498 1.00 0.00 H new ATOM 0 HB3 ALA B 886 -1.206 11.743 11.218 1.00 0.00 H new ATOM 1323 N SER B 887 -0.502 11.088 8.247 1.00 0.00 N ATOM 1324 CA SER B 887 0.705 10.958 7.429 1.00 0.00 C ATOM 1325 C SER B 887 0.368 10.917 5.941 1.00 0.00 C ATOM 1326 O SER B 887 1.248 11.073 5.095 1.00 0.00 O ATOM 1327 CB SER B 887 1.452 9.683 7.814 1.00 0.00 C ATOM 1328 OG SER B 887 2.521 9.474 6.900 1.00 0.00 O ATOM 0 H SER B 887 -0.897 10.202 8.562 1.00 0.00 H new ATOM 0 HA SER B 887 1.332 11.830 7.614 1.00 0.00 H new ATOM 0 HB2 SER B 887 1.837 9.766 8.830 1.00 0.00 H new ATOM 0 HB3 SER B 887 0.773 8.831 7.799 1.00 0.00 H new ATOM 0 HG SER B 887 2.383 10.027 6.103 1.00 0.00 H new ATOM 1334 N VAL B 888 -0.908 10.701 5.625 1.00 0.00 N ATOM 1335 CA VAL B 888 -1.350 10.634 4.234 1.00 0.00 C ATOM 1336 C VAL B 888 -2.695 11.335 4.078 1.00 0.00 C ATOM 1337 O VAL B 888 -3.174 12.000 4.996 1.00 0.00 O ATOM 1338 CB VAL B 888 -1.474 9.168 3.797 1.00 0.00 C ATOM 1339 CG1 VAL B 888 -0.079 8.587 3.541 1.00 0.00 C ATOM 1340 CG2 VAL B 888 -2.162 8.367 4.904 1.00 0.00 C ATOM 0 H VAL B 888 -1.651 10.570 6.311 1.00 0.00 H new ATOM 0 HA VAL B 888 -0.614 11.135 3.605 1.00 0.00 H new ATOM 0 HB VAL B 888 -2.063 9.111 2.882 1.00 0.00 H new ATOM 0 HG11 VAL B 888 -0.170 7.546 3.231 1.00 0.00 H new ATOM 0 HG12 VAL B 888 0.414 9.158 2.755 1.00 0.00 H new ATOM 0 HG13 VAL B 888 0.512 8.643 4.455 1.00 0.00 H new ATOM 0 HG21 VAL B 888 -2.252 7.325 4.597 1.00 0.00 H new ATOM 0 HG22 VAL B 888 -1.570 8.426 5.818 1.00 0.00 H new ATOM 0 HG23 VAL B 888 -3.155 8.778 5.087 1.00 0.00 H new ATOM 1350 N VAL B 889 -3.298 11.172 2.907 1.00 0.00 N ATOM 1351 CA VAL B 889 -4.596 11.778 2.613 1.00 0.00 C ATOM 1352 C VAL B 889 -5.459 10.810 1.819 1.00 0.00 C ATOM 1353 O VAL B 889 -5.023 10.234 0.822 1.00 0.00 O ATOM 1354 CB VAL B 889 -4.397 13.069 1.821 1.00 0.00 C ATOM 1355 CG1 VAL B 889 -5.698 13.874 1.813 1.00 0.00 C ATOM 1356 CG2 VAL B 889 -3.291 13.895 2.482 1.00 0.00 C ATOM 0 H VAL B 889 -2.909 10.623 2.140 1.00 0.00 H new ATOM 0 HA VAL B 889 -5.100 12.008 3.552 1.00 0.00 H new ATOM 0 HB VAL B 889 -4.117 12.829 0.795 1.00 0.00 H new ATOM 0 HG11 VAL B 889 -5.553 14.794 1.247 1.00 0.00 H new ATOM 0 HG12 VAL B 889 -6.488 13.284 1.349 1.00 0.00 H new ATOM 0 HG13 VAL B 889 -5.981 14.118 2.837 1.00 0.00 H new ATOM 0 HG21 VAL B 889 -3.143 14.819 1.922 1.00 0.00 H new ATOM 0 HG22 VAL B 889 -3.578 14.133 3.506 1.00 0.00 H new ATOM 0 HG23 VAL B 889 -2.364 13.322 2.489 1.00 0.00 H new ATOM 1366 N LEU B 890 -6.689 10.637 2.285 1.00 0.00 N ATOM 1367 CA LEU B 890 -7.641 9.739 1.645 1.00 0.00 C ATOM 1368 C LEU B 890 -8.420 10.477 0.544 1.00 0.00 C ATOM 1369 O LEU B 890 -9.206 11.373 0.851 1.00 0.00 O ATOM 1370 CB LEU B 890 -8.626 9.236 2.699 1.00 0.00 C ATOM 1371 CG LEU B 890 -7.865 8.614 3.877 1.00 0.00 C ATOM 1372 CD1 LEU B 890 -8.856 8.283 4.999 1.00 0.00 C ATOM 1373 CD2 LEU B 890 -7.147 7.332 3.426 1.00 0.00 C ATOM 0 H LEU B 890 -7.053 11.111 3.111 1.00 0.00 H new ATOM 0 HA LEU B 890 -7.100 8.906 1.196 1.00 0.00 H new ATOM 0 HB2 LEU B 890 -9.246 10.060 3.051 1.00 0.00 H new ATOM 0 HB3 LEU B 890 -9.297 8.498 2.259 1.00 0.00 H new ATOM 0 HG LEU B 890 -7.121 9.324 4.240 1.00 0.00 H new ATOM 0 HD11 LEU B 890 -8.320 7.841 5.839 1.00 0.00 H new ATOM 0 HD12 LEU B 890 -9.353 9.196 5.326 1.00 0.00 H new ATOM 0 HD13 LEU B 890 -9.600 7.577 4.631 1.00 0.00 H new ATOM 0 HD21 LEU B 890 -6.610 6.899 4.270 1.00 0.00 H new ATOM 0 HD22 LEU B 890 -7.880 6.615 3.056 1.00 0.00 H new ATOM 0 HD23 LEU B 890 -6.441 7.571 2.631 1.00 0.00 H new