USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=20 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 539 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 542 THR OG1 : rot -71:sc= -0.15! USER MOD Single : A 501 LYS NZ :NH3+ 164:sc= -0.0178 (180deg=-0.361) USER MOD Single : A 503 TYR OH : rot -15:sc= -0.437 USER MOD Single : A 511 HIS : no HD1:sc= -6! C(o=-6!,f=-7.8!) USER MOD Single : A 515 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 516 THR OG1 : rot -34:sc= 0.407 USER MOD Single : A 521 HIS : no HE2:sc= -2.21! C(o=-2.2!,f=-7!) USER MOD Single : A 524 GLN : amide:sc= -4.8! K(o=-4.8!,f=-4.1) USER MOD Single : A 525 GLN : amide:sc= -0.102 K(o=-0.1,f=-2!) USER MOD Single : A 528 ASN : amide:sc= -1.05 K(o=-1,f=-0.12) USER MOD Single : A 533 THR OG1 : rot -72:sc= 0.292 USER MOD Single : A 535 HIS : no HE2:sc= -1.55! C(o=-1.6!,f=-4.5!) USER MOD Single : A 537 HIS : no HD1:sc= -0.0981 X(o=-0.098,f=0) USER MOD Single : A 540 ASN : amide:sc= -0.0197 K(o=-0.02,f=-1.2) USER MOD Single : A 541 THR OG1 : rot 56:sc= 0.35 USER MOD Single : A 548 CYS SG : rot -40:sc= 0.0162 USER MOD Single : A 549 SER OG : rot -54:sc= 1.15 USER MOD Single : A 552 LYS NZ :NH3+ -172:sc= -0.0626 (180deg=-0.159) USER MOD Single : A 553 THR OG1 : rot 180:sc= 0.00313 USER MOD Single : A 554 THR OG1 : rot 180:sc= -0.409 USER MOD Single : A 557 LYS NZ :NH3+ -127:sc= -0.112 (180deg=-0.834) USER MOD Single : A 559 GLN : amide:sc= -3.3! C(o=-3.3!,f=-4.9!) USER MOD Single : A 560 SER OG : rot 127:sc= 1.03 USER MOD Single : A 561 TYR OH : rot 180:sc= 0 USER MOD Single : B 878 LYS NZ :NH3+ -134:sc= -2.94! (180deg=-5.6!) USER MOD Single : B 882 SER OG : rot -7:sc= 0.505! USER MOD Single : B 887 SER OG : rot -26:sc= 0.348 USER MOD ----------------------------------------------------------------- ATOM 15 N LYS A 501 6.452 -20.382 -2.445 1.00 0.00 N ATOM 16 CA LYS A 501 6.676 -19.421 -1.371 1.00 0.00 C ATOM 17 C LYS A 501 7.263 -18.127 -1.924 1.00 0.00 C ATOM 18 O LYS A 501 7.379 -17.131 -1.209 1.00 0.00 O ATOM 19 CB LYS A 501 7.627 -20.014 -0.330 1.00 0.00 C ATOM 20 CG LYS A 501 7.008 -21.278 0.269 1.00 0.00 C ATOM 21 CD LYS A 501 8.023 -21.958 1.189 1.00 0.00 C ATOM 22 CE LYS A 501 7.368 -23.160 1.872 1.00 0.00 C ATOM 23 NZ LYS A 501 7.018 -24.184 0.849 1.00 0.00 N ATOM 0 HA LYS A 501 5.718 -19.199 -0.901 1.00 0.00 H new ATOM 0 HB2 LYS A 501 8.586 -20.250 -0.791 1.00 0.00 H new ATOM 0 HB3 LYS A 501 7.822 -19.285 0.456 1.00 0.00 H new ATOM 0 HG2 LYS A 501 6.107 -21.025 0.828 1.00 0.00 H new ATOM 0 HG3 LYS A 501 6.708 -21.960 -0.526 1.00 0.00 H new ATOM 0 HD2 LYS A 501 8.891 -22.281 0.614 1.00 0.00 H new ATOM 0 HD3 LYS A 501 8.381 -21.252 1.938 1.00 0.00 H new ATOM 0 HE2 LYS A 501 8.047 -23.586 2.611 1.00 0.00 H new ATOM 0 HE3 LYS A 501 6.472 -22.844 2.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 501 6.830 -25.093 1.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 501 6.170 -23.880 0.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 501 7.810 -24.295 0.184 1.00 0.00 H new ATOM 37 N ALA A 502 7.630 -18.150 -3.200 1.00 0.00 N ATOM 38 CA ALA A 502 8.206 -16.972 -3.840 1.00 0.00 C ATOM 39 C ALA A 502 7.294 -15.763 -3.661 1.00 0.00 C ATOM 40 O ALA A 502 7.691 -14.753 -3.082 1.00 0.00 O ATOM 41 CB ALA A 502 8.414 -17.239 -5.333 1.00 0.00 C ATOM 0 H ALA A 502 7.540 -18.964 -3.808 1.00 0.00 H new ATOM 0 HA ALA A 502 9.166 -16.760 -3.370 1.00 0.00 H new ATOM 0 HB1 ALA A 502 8.844 -16.355 -5.804 1.00 0.00 H new ATOM 0 HB2 ALA A 502 9.091 -18.084 -5.461 1.00 0.00 H new ATOM 0 HB3 ALA A 502 7.455 -17.468 -5.799 1.00 0.00 H new ATOM 47 N TYR A 503 6.069 -15.870 -4.168 1.00 0.00 N ATOM 48 CA TYR A 503 5.113 -14.772 -4.063 1.00 0.00 C ATOM 49 C TYR A 503 5.118 -14.201 -2.644 1.00 0.00 C ATOM 50 O TYR A 503 5.427 -13.026 -2.442 1.00 0.00 O ATOM 51 CB TYR A 503 3.701 -15.276 -4.440 1.00 0.00 C ATOM 52 CG TYR A 503 2.938 -14.201 -5.194 1.00 0.00 C ATOM 53 CD1 TYR A 503 2.873 -12.898 -4.683 1.00 0.00 C ATOM 54 CD2 TYR A 503 2.303 -14.509 -6.405 1.00 0.00 C ATOM 55 CE1 TYR A 503 2.175 -11.908 -5.381 1.00 0.00 C ATOM 56 CE2 TYR A 503 1.605 -13.515 -7.102 1.00 0.00 C ATOM 57 CZ TYR A 503 1.541 -12.215 -6.590 1.00 0.00 C ATOM 58 OH TYR A 503 0.852 -11.236 -7.277 1.00 0.00 O ATOM 0 H TYR A 503 5.717 -16.697 -4.651 1.00 0.00 H new ATOM 0 HA TYR A 503 5.400 -13.978 -4.752 1.00 0.00 H new ATOM 0 HB2 TYR A 503 3.780 -16.173 -5.054 1.00 0.00 H new ATOM 0 HB3 TYR A 503 3.155 -15.554 -3.539 1.00 0.00 H new ATOM 0 HD1 TYR A 503 3.362 -12.659 -3.750 1.00 0.00 H new ATOM 0 HD2 TYR A 503 2.352 -15.513 -6.801 1.00 0.00 H new ATOM 0 HE1 TYR A 503 2.125 -10.904 -4.986 1.00 0.00 H new ATOM 0 HE2 TYR A 503 1.116 -13.752 -8.035 1.00 0.00 H new ATOM 0 HH TYR A 503 0.698 -10.469 -6.687 1.00 0.00 H new ATOM 68 N LEU A 504 4.779 -15.035 -1.666 1.00 0.00 N ATOM 69 CA LEU A 504 4.754 -14.591 -0.274 1.00 0.00 C ATOM 70 C LEU A 504 5.996 -13.758 0.046 1.00 0.00 C ATOM 71 O LEU A 504 5.898 -12.670 0.614 1.00 0.00 O ATOM 72 CB LEU A 504 4.687 -15.805 0.663 1.00 0.00 C ATOM 73 CG LEU A 504 3.255 -16.351 0.709 1.00 0.00 C ATOM 74 CD1 LEU A 504 2.827 -16.801 -0.691 1.00 0.00 C ATOM 75 CD2 LEU A 504 3.200 -17.542 1.669 1.00 0.00 C ATOM 0 H LEU A 504 4.520 -16.011 -1.807 1.00 0.00 H new ATOM 0 HA LEU A 504 3.870 -13.972 -0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 504 5.370 -16.581 0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 504 5.009 -15.520 1.665 1.00 0.00 H new ATOM 0 HG LEU A 504 2.579 -15.569 1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 504 1.809 -17.188 -0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 504 2.868 -15.953 -1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 504 3.500 -17.583 -1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 504 2.183 -17.934 1.705 1.00 0.00 H new ATOM 0 HD22 LEU A 504 3.877 -18.322 1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 504 3.500 -17.220 2.666 1.00 0.00 H new ATOM 87 N ASP A 505 7.162 -14.280 -0.323 1.00 0.00 N ATOM 88 CA ASP A 505 8.414 -13.578 -0.071 1.00 0.00 C ATOM 89 C ASP A 505 8.327 -12.136 -0.563 1.00 0.00 C ATOM 90 O ASP A 505 8.783 -11.213 0.112 1.00 0.00 O ATOM 91 CB ASP A 505 9.572 -14.294 -0.774 1.00 0.00 C ATOM 92 CG ASP A 505 10.904 -13.839 -0.188 1.00 0.00 C ATOM 93 OD1 ASP A 505 11.038 -13.871 1.025 1.00 0.00 O ATOM 94 OD2 ASP A 505 11.771 -13.462 -0.960 1.00 0.00 O ATOM 0 H ASP A 505 7.265 -15.179 -0.794 1.00 0.00 H new ATOM 0 HA ASP A 505 8.595 -13.573 1.004 1.00 0.00 H new ATOM 0 HB2 ASP A 505 9.465 -15.373 -0.660 1.00 0.00 H new ATOM 0 HB3 ASP A 505 9.545 -14.082 -1.843 1.00 0.00 H new ATOM 99 N GLU A 506 7.739 -11.949 -1.740 1.00 0.00 N ATOM 100 CA GLU A 506 7.597 -10.612 -2.307 1.00 0.00 C ATOM 101 C GLU A 506 6.745 -9.735 -1.399 1.00 0.00 C ATOM 102 O GLU A 506 6.888 -8.515 -1.388 1.00 0.00 O ATOM 103 CB GLU A 506 6.952 -10.691 -3.693 1.00 0.00 C ATOM 104 CG GLU A 506 7.742 -11.661 -4.574 1.00 0.00 C ATOM 105 CD GLU A 506 9.173 -11.164 -4.745 1.00 0.00 C ATOM 106 OE1 GLU A 506 9.339 -10.050 -5.217 1.00 0.00 O ATOM 107 OE2 GLU A 506 10.081 -11.904 -4.403 1.00 0.00 O ATOM 0 H GLU A 506 7.356 -12.699 -2.316 1.00 0.00 H new ATOM 0 HA GLU A 506 8.590 -10.171 -2.396 1.00 0.00 H new ATOM 0 HB2 GLU A 506 5.918 -11.024 -3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 506 6.931 -9.703 -4.152 1.00 0.00 H new ATOM 0 HG2 GLU A 506 7.745 -12.654 -4.124 1.00 0.00 H new ATOM 0 HG3 GLU A 506 7.262 -11.754 -5.548 1.00 0.00 H new ATOM 114 N LEU A 507 5.860 -10.367 -0.635 1.00 0.00 N ATOM 115 CA LEU A 507 4.989 -9.637 0.281 1.00 0.00 C ATOM 116 C LEU A 507 5.705 -9.383 1.606 1.00 0.00 C ATOM 117 O LEU A 507 5.650 -8.281 2.149 1.00 0.00 O ATOM 118 CB LEU A 507 3.712 -10.442 0.535 1.00 0.00 C ATOM 119 CG LEU A 507 3.216 -11.054 -0.777 1.00 0.00 C ATOM 120 CD1 LEU A 507 1.851 -11.709 -0.550 1.00 0.00 C ATOM 121 CD2 LEU A 507 3.083 -9.959 -1.839 1.00 0.00 C ATOM 0 H LEU A 507 5.727 -11.378 -0.631 1.00 0.00 H new ATOM 0 HA LEU A 507 4.731 -8.679 -0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 507 3.906 -11.229 1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 507 2.943 -9.797 0.960 1.00 0.00 H new ATOM 0 HG LEU A 507 3.930 -11.804 -1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 507 1.497 -12.145 -1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 507 1.944 -12.491 0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 507 1.139 -10.958 -0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 507 2.730 -10.398 -2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 507 2.371 -9.207 -1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 507 4.054 -9.491 -2.003 1.00 0.00 H new ATOM 133 N VAL A 508 6.368 -10.412 2.125 1.00 0.00 N ATOM 134 CA VAL A 508 7.082 -10.284 3.392 1.00 0.00 C ATOM 135 C VAL A 508 8.130 -9.176 3.317 1.00 0.00 C ATOM 136 O VAL A 508 8.056 -8.187 4.045 1.00 0.00 O ATOM 137 CB VAL A 508 7.756 -11.607 3.751 1.00 0.00 C ATOM 138 CG1 VAL A 508 8.528 -11.444 5.062 1.00 0.00 C ATOM 139 CG2 VAL A 508 6.688 -12.689 3.922 1.00 0.00 C ATOM 0 H VAL A 508 6.426 -11.335 1.694 1.00 0.00 H new ATOM 0 HA VAL A 508 6.358 -10.025 4.165 1.00 0.00 H new ATOM 0 HB VAL A 508 8.444 -11.895 2.956 1.00 0.00 H new ATOM 0 HG11 VAL A 508 9.010 -12.387 5.320 1.00 0.00 H new ATOM 0 HG12 VAL A 508 9.286 -10.670 4.944 1.00 0.00 H new ATOM 0 HG13 VAL A 508 7.839 -11.159 5.857 1.00 0.00 H new ATOM 0 HG21 VAL A 508 7.166 -13.635 4.178 1.00 0.00 H new ATOM 0 HG22 VAL A 508 6.003 -12.401 4.719 1.00 0.00 H new ATOM 0 HG23 VAL A 508 6.134 -12.803 2.991 1.00 0.00 H new ATOM 149 N GLU A 509 9.106 -9.350 2.430 1.00 0.00 N ATOM 150 CA GLU A 509 10.160 -8.354 2.267 1.00 0.00 C ATOM 151 C GLU A 509 9.544 -6.970 2.117 1.00 0.00 C ATOM 152 O GLU A 509 9.902 -6.042 2.843 1.00 0.00 O ATOM 153 CB GLU A 509 11.003 -8.679 1.033 1.00 0.00 C ATOM 154 CG GLU A 509 11.827 -9.939 1.296 1.00 0.00 C ATOM 155 CD GLU A 509 12.703 -10.250 0.087 1.00 0.00 C ATOM 156 OE1 GLU A 509 12.360 -9.811 -0.998 1.00 0.00 O ATOM 157 OE2 GLU A 509 13.706 -10.922 0.264 1.00 0.00 O ATOM 0 H GLU A 509 9.189 -10.163 1.819 1.00 0.00 H new ATOM 0 HA GLU A 509 10.800 -8.370 3.149 1.00 0.00 H new ATOM 0 HB2 GLU A 509 10.357 -8.828 0.167 1.00 0.00 H new ATOM 0 HB3 GLU A 509 11.662 -7.843 0.799 1.00 0.00 H new ATOM 0 HG2 GLU A 509 12.449 -9.799 2.180 1.00 0.00 H new ATOM 0 HG3 GLU A 509 11.165 -10.780 1.502 1.00 0.00 H new ATOM 164 N LEU A 510 8.620 -6.832 1.175 1.00 0.00 N ATOM 165 CA LEU A 510 7.969 -5.550 0.951 1.00 0.00 C ATOM 166 C LEU A 510 7.317 -5.063 2.239 1.00 0.00 C ATOM 167 O LEU A 510 7.517 -3.922 2.656 1.00 0.00 O ATOM 168 CB LEU A 510 6.917 -5.688 -0.153 1.00 0.00 C ATOM 169 CG LEU A 510 6.491 -4.300 -0.664 1.00 0.00 C ATOM 170 CD1 LEU A 510 7.662 -3.607 -1.396 1.00 0.00 C ATOM 171 CD2 LEU A 510 5.304 -4.458 -1.625 1.00 0.00 C ATOM 0 H LEU A 510 8.308 -7.584 0.560 1.00 0.00 H new ATOM 0 HA LEU A 510 8.717 -4.821 0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 510 7.320 -6.278 -0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 510 6.048 -6.225 0.229 1.00 0.00 H new ATOM 0 HG LEU A 510 6.201 -3.684 0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 510 7.341 -2.627 -1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 510 8.501 -3.488 -0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 510 7.971 -4.216 -2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 510 4.998 -3.477 -1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 510 5.599 -5.083 -2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 510 4.471 -4.926 -1.100 1.00 0.00 H new ATOM 183 N HIS A 511 6.543 -5.939 2.871 1.00 0.00 N ATOM 184 CA HIS A 511 5.875 -5.596 4.118 1.00 0.00 C ATOM 185 C HIS A 511 6.878 -5.054 5.133 1.00 0.00 C ATOM 186 O HIS A 511 6.709 -3.957 5.664 1.00 0.00 O ATOM 187 CB HIS A 511 5.178 -6.836 4.684 1.00 0.00 C ATOM 188 CG HIS A 511 4.639 -6.535 6.054 1.00 0.00 C ATOM 189 ND1 HIS A 511 3.445 -5.864 6.243 1.00 0.00 N ATOM 190 CD2 HIS A 511 5.121 -6.810 7.309 1.00 0.00 C ATOM 191 CE1 HIS A 511 3.250 -5.757 7.570 1.00 0.00 C ATOM 192 NE2 HIS A 511 4.243 -6.315 8.265 1.00 0.00 N ATOM 0 H HIS A 511 6.364 -6.887 2.541 1.00 0.00 H new ATOM 0 HA HIS A 511 5.134 -4.822 3.918 1.00 0.00 H new ATOM 0 HB2 HIS A 511 4.367 -7.142 4.023 1.00 0.00 H new ATOM 0 HB3 HIS A 511 5.880 -7.668 4.734 1.00 0.00 H new ATOM 0 HD2 HIS A 511 6.042 -7.332 7.521 1.00 0.00 H new ATOM 0 HE1 HIS A 511 2.393 -5.277 8.019 1.00 0.00 H new ATOM 0 HE2 HIS A 511 4.337 -6.367 9.279 1.00 0.00 H new ATOM 201 N ARG A 512 7.920 -5.836 5.401 1.00 0.00 N ATOM 202 CA ARG A 512 8.939 -5.439 6.352 1.00 0.00 C ATOM 203 C ARG A 512 9.430 -4.026 6.046 1.00 0.00 C ATOM 204 O ARG A 512 9.475 -3.168 6.928 1.00 0.00 O ATOM 205 CB ARG A 512 10.108 -6.432 6.283 1.00 0.00 C ATOM 206 CG ARG A 512 11.278 -5.949 7.146 1.00 0.00 C ATOM 207 CD ARG A 512 10.782 -5.633 8.553 1.00 0.00 C ATOM 208 NE ARG A 512 9.836 -6.654 8.995 1.00 0.00 N ATOM 209 CZ ARG A 512 8.913 -6.390 9.917 1.00 0.00 C ATOM 210 NH1 ARG A 512 8.843 -5.200 10.447 1.00 0.00 N ATOM 211 NH2 ARG A 512 8.078 -7.321 10.290 1.00 0.00 N ATOM 0 H ARG A 512 8.076 -6.747 4.970 1.00 0.00 H new ATOM 0 HA ARG A 512 8.516 -5.444 7.356 1.00 0.00 H new ATOM 0 HB2 ARG A 512 9.779 -7.414 6.624 1.00 0.00 H new ATOM 0 HB3 ARG A 512 10.434 -6.546 5.249 1.00 0.00 H new ATOM 0 HG2 ARG A 512 12.053 -6.714 7.186 1.00 0.00 H new ATOM 0 HG3 ARG A 512 11.729 -5.062 6.701 1.00 0.00 H new ATOM 0 HD2 ARG A 512 11.625 -5.586 9.242 1.00 0.00 H new ATOM 0 HD3 ARG A 512 10.304 -4.654 8.567 1.00 0.00 H new ATOM 0 HE ARG A 512 9.884 -7.588 8.589 1.00 0.00 H new ATOM 0 HH11 ARG A 512 9.495 -4.472 10.155 1.00 0.00 H new ATOM 0 HH12 ARG A 512 8.136 -4.997 11.154 1.00 0.00 H new ATOM 0 HH21 ARG A 512 8.133 -8.251 9.875 1.00 0.00 H new ATOM 0 HH22 ARG A 512 7.371 -7.119 10.997 1.00 0.00 H new ATOM 225 N ARG A 513 9.804 -3.799 4.792 1.00 0.00 N ATOM 226 CA ARG A 513 10.301 -2.493 4.379 1.00 0.00 C ATOM 227 C ARG A 513 9.242 -1.415 4.582 1.00 0.00 C ATOM 228 O ARG A 513 9.554 -0.304 5.011 1.00 0.00 O ATOM 229 CB ARG A 513 10.715 -2.532 2.905 1.00 0.00 C ATOM 230 CG ARG A 513 11.402 -1.216 2.536 1.00 0.00 C ATOM 231 CD ARG A 513 12.045 -1.344 1.155 1.00 0.00 C ATOM 232 NE ARG A 513 12.503 -0.040 0.691 1.00 0.00 N ATOM 233 CZ ARG A 513 12.729 0.192 -0.597 1.00 0.00 C ATOM 234 NH1 ARG A 513 12.545 -0.756 -1.473 1.00 0.00 N ATOM 235 NH2 ARG A 513 13.132 1.371 -0.986 1.00 0.00 N ATOM 0 H ARG A 513 9.773 -4.497 4.049 1.00 0.00 H new ATOM 0 HA ARG A 513 11.166 -2.250 4.996 1.00 0.00 H new ATOM 0 HB2 ARG A 513 11.389 -3.370 2.727 1.00 0.00 H new ATOM 0 HB3 ARG A 513 9.840 -2.688 2.274 1.00 0.00 H new ATOM 0 HG2 ARG A 513 10.677 -0.402 2.537 1.00 0.00 H new ATOM 0 HG3 ARG A 513 12.159 -0.968 3.280 1.00 0.00 H new ATOM 0 HD2 ARG A 513 12.884 -2.038 1.199 1.00 0.00 H new ATOM 0 HD3 ARG A 513 11.326 -1.758 0.448 1.00 0.00 H new ATOM 0 HE ARG A 513 12.653 0.708 1.368 1.00 0.00 H new ATOM 0 HH11 ARG A 513 12.227 -1.676 -1.169 1.00 0.00 H new ATOM 0 HH12 ARG A 513 12.719 -0.577 -2.462 1.00 0.00 H new ATOM 0 HH21 ARG A 513 13.273 2.113 -0.301 1.00 0.00 H new ATOM 0 HH22 ARG A 513 13.306 1.550 -1.975 1.00 0.00 H new ATOM 249 N LEU A 514 7.991 -1.744 4.274 1.00 0.00 N ATOM 250 CA LEU A 514 6.906 -0.782 4.430 1.00 0.00 C ATOM 251 C LEU A 514 6.744 -0.389 5.894 1.00 0.00 C ATOM 252 O LEU A 514 6.560 0.784 6.218 1.00 0.00 O ATOM 253 CB LEU A 514 5.591 -1.376 3.906 1.00 0.00 C ATOM 254 CG LEU A 514 5.599 -1.410 2.366 1.00 0.00 C ATOM 255 CD1 LEU A 514 4.553 -2.413 1.877 1.00 0.00 C ATOM 256 CD2 LEU A 514 5.272 -0.020 1.789 1.00 0.00 C ATOM 0 H LEU A 514 7.706 -2.657 3.920 1.00 0.00 H new ATOM 0 HA LEU A 514 7.153 0.108 3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 514 5.457 -2.384 4.299 1.00 0.00 H new ATOM 0 HB3 LEU A 514 4.749 -0.782 4.260 1.00 0.00 H new ATOM 0 HG LEU A 514 6.592 -1.706 2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 514 4.556 -2.440 0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 514 4.790 -3.404 2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 514 3.567 -2.111 2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 514 5.283 -0.066 0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 514 4.285 0.292 2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 514 6.017 0.700 2.129 1.00 0.00 H new ATOM 268 N MET A 515 6.795 -1.384 6.772 1.00 0.00 N ATOM 269 CA MET A 515 6.633 -1.144 8.200 1.00 0.00 C ATOM 270 C MET A 515 7.605 -0.081 8.701 1.00 0.00 C ATOM 271 O MET A 515 7.253 0.749 9.539 1.00 0.00 O ATOM 272 CB MET A 515 6.854 -2.445 8.976 1.00 0.00 C ATOM 273 CG MET A 515 6.307 -2.294 10.398 1.00 0.00 C ATOM 274 SD MET A 515 4.499 -2.384 10.361 1.00 0.00 S ATOM 275 CE MET A 515 4.205 -1.732 12.023 1.00 0.00 C ATOM 0 H MET A 515 6.947 -2.361 6.521 1.00 0.00 H new ATOM 0 HA MET A 515 5.618 -0.783 8.364 1.00 0.00 H new ATOM 0 HB2 MET A 515 6.355 -3.271 8.470 1.00 0.00 H new ATOM 0 HB3 MET A 515 7.917 -2.685 9.008 1.00 0.00 H new ATOM 0 HG2 MET A 515 6.708 -3.079 11.039 1.00 0.00 H new ATOM 0 HG3 MET A 515 6.626 -1.342 10.823 1.00 0.00 H new ATOM 0 HE1 MET A 515 3.133 -1.699 12.217 1.00 0.00 H new ATOM 0 HE2 MET A 515 4.687 -2.377 12.758 1.00 0.00 H new ATOM 0 HE3 MET A 515 4.618 -0.726 12.098 1.00 0.00 H new ATOM 285 N THR A 516 8.830 -0.111 8.185 1.00 0.00 N ATOM 286 CA THR A 516 9.848 0.857 8.589 1.00 0.00 C ATOM 287 C THR A 516 9.805 2.082 7.683 1.00 0.00 C ATOM 288 O THR A 516 10.268 3.160 8.057 1.00 0.00 O ATOM 289 CB THR A 516 11.235 0.214 8.509 1.00 0.00 C ATOM 290 OG1 THR A 516 11.612 0.070 7.146 1.00 0.00 O ATOM 291 CG2 THR A 516 11.198 -1.162 9.179 1.00 0.00 C ATOM 0 H THR A 516 9.142 -0.790 7.491 1.00 0.00 H new ATOM 0 HA THR A 516 9.647 1.167 9.615 1.00 0.00 H new ATOM 0 HB THR A 516 11.960 0.847 9.021 1.00 0.00 H new ATOM 0 HG1 THR A 516 10.818 -0.123 6.605 1.00 0.00 H new ATOM 0 HG21 THR A 516 12.185 -1.621 9.123 1.00 0.00 H new ATOM 0 HG22 THR A 516 10.909 -1.050 10.224 1.00 0.00 H new ATOM 0 HG23 THR A 516 10.473 -1.796 8.668 1.00 0.00 H new ATOM 299 N LEU A 517 9.257 1.905 6.487 1.00 0.00 N ATOM 300 CA LEU A 517 9.171 2.999 5.526 1.00 0.00 C ATOM 301 C LEU A 517 8.478 4.211 6.140 1.00 0.00 C ATOM 302 O LEU A 517 7.514 4.072 6.894 1.00 0.00 O ATOM 303 CB LEU A 517 8.404 2.535 4.286 1.00 0.00 C ATOM 304 CG LEU A 517 8.409 3.628 3.208 1.00 0.00 C ATOM 305 CD1 LEU A 517 9.844 3.883 2.710 1.00 0.00 C ATOM 306 CD2 LEU A 517 7.530 3.166 2.040 1.00 0.00 C ATOM 0 H LEU A 517 8.868 1.021 6.160 1.00 0.00 H new ATOM 0 HA LEU A 517 10.182 3.291 5.243 1.00 0.00 H new ATOM 0 HB2 LEU A 517 8.856 1.625 3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 517 7.377 2.289 4.558 1.00 0.00 H new ATOM 0 HG LEU A 517 8.020 4.556 3.627 1.00 0.00 H new ATOM 0 HD11 LEU A 517 9.831 4.660 1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 517 10.467 4.205 3.545 1.00 0.00 H new ATOM 0 HD13 LEU A 517 10.251 2.965 2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 517 7.523 3.932 1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 517 7.928 2.238 1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 517 6.513 2.999 2.394 1.00 0.00 H new ATOM 318 N ARG A 518 8.973 5.400 5.803 1.00 0.00 N ATOM 319 CA ARG A 518 8.400 6.647 6.311 1.00 0.00 C ATOM 320 C ARG A 518 8.290 7.672 5.186 1.00 0.00 C ATOM 321 O ARG A 518 7.898 8.817 5.413 1.00 0.00 O ATOM 322 CB ARG A 518 9.282 7.208 7.436 1.00 0.00 C ATOM 323 CG ARG A 518 9.109 6.369 8.717 1.00 0.00 C ATOM 324 CD ARG A 518 7.933 6.902 9.548 1.00 0.00 C ATOM 325 NE ARG A 518 7.706 6.045 10.707 1.00 0.00 N ATOM 326 CZ ARG A 518 6.536 6.038 11.338 1.00 0.00 C ATOM 327 NH1 ARG A 518 5.565 6.807 10.922 1.00 0.00 N ATOM 328 NH2 ARG A 518 6.356 5.263 12.373 1.00 0.00 N ATOM 0 H ARG A 518 9.770 5.527 5.180 1.00 0.00 H new ATOM 0 HA ARG A 518 7.404 6.441 6.703 1.00 0.00 H new ATOM 0 HB2 ARG A 518 10.327 7.201 7.126 1.00 0.00 H new ATOM 0 HB3 ARG A 518 9.015 8.246 7.634 1.00 0.00 H new ATOM 0 HG2 ARG A 518 8.935 5.325 8.456 1.00 0.00 H new ATOM 0 HG3 ARG A 518 10.025 6.401 9.307 1.00 0.00 H new ATOM 0 HD2 ARG A 518 8.141 7.921 9.875 1.00 0.00 H new ATOM 0 HD3 ARG A 518 7.033 6.942 8.934 1.00 0.00 H new ATOM 0 HE ARG A 518 8.458 5.441 11.039 1.00 0.00 H new ATOM 0 HH11 ARG A 518 5.705 7.413 10.113 1.00 0.00 H new ATOM 0 HH12 ARG A 518 4.667 6.802 11.406 1.00 0.00 H new ATOM 0 HH21 ARG A 518 7.113 4.662 12.698 1.00 0.00 H new ATOM 0 HH22 ARG A 518 5.458 5.258 12.857 1.00 0.00 H new ATOM 342 N GLU A 519 8.638 7.252 3.974 1.00 0.00 N ATOM 343 CA GLU A 519 8.573 8.141 2.820 1.00 0.00 C ATOM 344 C GLU A 519 7.154 8.678 2.642 1.00 0.00 C ATOM 345 O GLU A 519 6.243 7.942 2.265 1.00 0.00 O ATOM 346 CB GLU A 519 9.004 7.388 1.551 1.00 0.00 C ATOM 347 CG GLU A 519 10.533 7.344 1.457 1.00 0.00 C ATOM 348 CD GLU A 519 10.970 6.257 0.480 1.00 0.00 C ATOM 349 OE1 GLU A 519 10.104 5.681 -0.158 1.00 0.00 O ATOM 350 OE2 GLU A 519 12.161 6.014 0.386 1.00 0.00 O ATOM 0 H GLU A 519 8.966 6.309 3.766 1.00 0.00 H new ATOM 0 HA GLU A 519 9.250 8.979 2.989 1.00 0.00 H new ATOM 0 HB2 GLU A 519 8.604 6.374 1.567 1.00 0.00 H new ATOM 0 HB3 GLU A 519 8.592 7.880 0.670 1.00 0.00 H new ATOM 0 HG2 GLU A 519 10.912 8.312 1.129 1.00 0.00 H new ATOM 0 HG3 GLU A 519 10.960 7.151 2.441 1.00 0.00 H new ATOM 357 N ARG A 520 6.978 9.964 2.913 1.00 0.00 N ATOM 358 CA ARG A 520 5.669 10.591 2.780 1.00 0.00 C ATOM 359 C ARG A 520 5.298 10.759 1.310 1.00 0.00 C ATOM 360 O ARG A 520 4.120 10.861 0.969 1.00 0.00 O ATOM 361 CB ARG A 520 5.675 11.958 3.466 1.00 0.00 C ATOM 362 CG ARG A 520 4.239 12.455 3.633 1.00 0.00 C ATOM 363 CD ARG A 520 4.239 13.767 4.418 1.00 0.00 C ATOM 364 NE ARG A 520 2.886 14.097 4.850 1.00 0.00 N ATOM 365 CZ ARG A 520 2.000 14.608 4.002 1.00 0.00 C ATOM 366 NH1 ARG A 520 2.336 14.823 2.760 1.00 0.00 N ATOM 367 NH2 ARG A 520 0.795 14.895 4.411 1.00 0.00 N ATOM 0 H ARG A 520 7.720 10.591 3.225 1.00 0.00 H new ATOM 0 HA ARG A 520 4.929 9.947 3.256 1.00 0.00 H new ATOM 0 HB2 ARG A 520 6.161 11.886 4.439 1.00 0.00 H new ATOM 0 HB3 ARG A 520 6.250 12.670 2.875 1.00 0.00 H new ATOM 0 HG2 ARG A 520 3.779 12.604 2.656 1.00 0.00 H new ATOM 0 HG3 ARG A 520 3.643 11.707 4.155 1.00 0.00 H new ATOM 0 HD2 ARG A 520 4.894 13.680 5.285 1.00 0.00 H new ATOM 0 HD3 ARG A 520 4.636 14.570 3.797 1.00 0.00 H new ATOM 0 HE ARG A 520 2.615 13.933 5.820 1.00 0.00 H new ATOM 0 HH11 ARG A 520 3.278 14.599 2.440 1.00 0.00 H new ATOM 0 HH12 ARG A 520 1.656 15.215 2.108 1.00 0.00 H new ATOM 0 HH21 ARG A 520 0.533 14.727 5.382 1.00 0.00 H new ATOM 0 HH22 ARG A 520 0.115 15.287 3.760 1.00 0.00 H new ATOM 381 N HIS A 521 6.307 10.793 0.444 1.00 0.00 N ATOM 382 CA HIS A 521 6.062 10.955 -0.987 1.00 0.00 C ATOM 383 C HIS A 521 5.589 9.634 -1.602 1.00 0.00 C ATOM 384 O HIS A 521 4.865 9.636 -2.596 1.00 0.00 O ATOM 385 CB HIS A 521 7.332 11.471 -1.706 1.00 0.00 C ATOM 386 CG HIS A 521 8.566 11.096 -0.928 1.00 0.00 C ATOM 387 ND1 HIS A 521 8.796 11.549 0.362 1.00 0.00 N ATOM 388 CD2 HIS A 521 9.656 10.330 -1.255 1.00 0.00 C ATOM 389 CE1 HIS A 521 9.982 11.054 0.759 1.00 0.00 C ATOM 390 NE2 HIS A 521 10.548 10.304 -0.188 1.00 0.00 N ATOM 0 H HIS A 521 7.290 10.712 0.703 1.00 0.00 H new ATOM 0 HA HIS A 521 5.274 11.697 -1.119 1.00 0.00 H new ATOM 0 HB2 HIS A 521 7.386 11.050 -2.710 1.00 0.00 H new ATOM 0 HB3 HIS A 521 7.280 12.554 -1.817 1.00 0.00 H new ATOM 0 HD1 HIS A 521 8.179 12.148 0.910 1.00 0.00 H new ATOM 0 HD2 HIS A 521 9.800 9.824 -2.198 1.00 0.00 H new ATOM 0 HE1 HIS A 521 10.423 11.241 1.727 1.00 0.00 H new ATOM 399 N ILE A 522 5.989 8.511 -1.007 1.00 0.00 N ATOM 400 CA ILE A 522 5.579 7.197 -1.513 1.00 0.00 C ATOM 401 C ILE A 522 4.248 6.790 -0.875 1.00 0.00 C ATOM 402 O ILE A 522 3.297 6.430 -1.572 1.00 0.00 O ATOM 403 CB ILE A 522 6.674 6.148 -1.204 1.00 0.00 C ATOM 404 CG1 ILE A 522 7.764 6.188 -2.288 1.00 0.00 C ATOM 405 CG2 ILE A 522 6.073 4.735 -1.167 1.00 0.00 C ATOM 406 CD1 ILE A 522 8.228 7.626 -2.526 1.00 0.00 C ATOM 0 H ILE A 522 6.590 8.481 -0.183 1.00 0.00 H new ATOM 0 HA ILE A 522 5.447 7.251 -2.594 1.00 0.00 H new ATOM 0 HB ILE A 522 7.105 6.387 -0.232 1.00 0.00 H new ATOM 0 HG12 ILE A 522 8.610 5.572 -1.984 1.00 0.00 H new ATOM 0 HG13 ILE A 522 7.379 5.765 -3.216 1.00 0.00 H new ATOM 0 HG21 ILE A 522 6.858 4.011 -0.948 1.00 0.00 H new ATOM 0 HG22 ILE A 522 5.308 4.685 -0.392 1.00 0.00 H new ATOM 0 HG23 ILE A 522 5.626 4.504 -2.134 1.00 0.00 H new ATOM 0 HD11 ILE A 522 8.999 7.637 -3.296 1.00 0.00 H new ATOM 0 HD12 ILE A 522 7.382 8.232 -2.851 1.00 0.00 H new ATOM 0 HD13 ILE A 522 8.633 8.035 -1.601 1.00 0.00 H new ATOM 418 N LEU A 523 4.193 6.848 0.452 1.00 0.00 N ATOM 419 CA LEU A 523 2.982 6.482 1.180 1.00 0.00 C ATOM 420 C LEU A 523 1.764 7.134 0.526 1.00 0.00 C ATOM 421 O LEU A 523 0.652 6.620 0.622 1.00 0.00 O ATOM 422 CB LEU A 523 3.112 6.929 2.656 1.00 0.00 C ATOM 423 CG LEU A 523 3.567 5.760 3.545 1.00 0.00 C ATOM 424 CD1 LEU A 523 4.989 5.329 3.167 1.00 0.00 C ATOM 425 CD2 LEU A 523 3.546 6.209 5.006 1.00 0.00 C ATOM 0 H LEU A 523 4.969 7.144 1.044 1.00 0.00 H new ATOM 0 HA LEU A 523 2.851 5.400 1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 523 3.828 7.748 2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 523 2.154 7.310 3.011 1.00 0.00 H new ATOM 0 HG LEU A 523 2.892 4.916 3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 523 5.299 4.501 3.804 1.00 0.00 H new ATOM 0 HD12 LEU A 523 5.008 5.012 2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 523 5.672 6.168 3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 523 3.867 5.386 5.644 1.00 0.00 H new ATOM 0 HD22 LEU A 523 4.221 7.055 5.137 1.00 0.00 H new ATOM 0 HD23 LEU A 523 2.534 6.507 5.280 1.00 0.00 H new ATOM 437 N GLN A 524 1.974 8.266 -0.131 1.00 0.00 N ATOM 438 CA GLN A 524 0.871 8.965 -0.784 1.00 0.00 C ATOM 439 C GLN A 524 0.534 8.312 -2.122 1.00 0.00 C ATOM 440 O GLN A 524 -0.638 8.143 -2.464 1.00 0.00 O ATOM 441 CB GLN A 524 1.243 10.432 -1.007 1.00 0.00 C ATOM 442 CG GLN A 524 1.237 11.170 0.333 1.00 0.00 C ATOM 443 CD GLN A 524 1.905 12.532 0.181 1.00 0.00 C ATOM 444 OE1 GLN A 524 2.950 12.643 -0.459 1.00 0.00 O ATOM 445 NE2 GLN A 524 1.362 13.579 0.739 1.00 0.00 N ATOM 0 H GLN A 524 2.884 8.717 -0.227 1.00 0.00 H new ATOM 0 HA GLN A 524 -0.004 8.906 -0.137 1.00 0.00 H new ATOM 0 HB2 GLN A 524 2.228 10.502 -1.468 1.00 0.00 H new ATOM 0 HB3 GLN A 524 0.536 10.897 -1.693 1.00 0.00 H new ATOM 0 HG2 GLN A 524 0.213 11.295 0.684 1.00 0.00 H new ATOM 0 HG3 GLN A 524 1.762 10.580 1.085 1.00 0.00 H new ATOM 0 HE21 GLN A 524 0.496 13.483 1.269 1.00 0.00 H new ATOM 0 HE22 GLN A 524 1.804 14.494 0.645 1.00 0.00 H new ATOM 454 N GLN A 525 1.567 7.948 -2.873 1.00 0.00 N ATOM 455 CA GLN A 525 1.378 7.315 -4.175 1.00 0.00 C ATOM 456 C GLN A 525 0.723 5.946 -4.022 1.00 0.00 C ATOM 457 O GLN A 525 -0.291 5.653 -4.654 1.00 0.00 O ATOM 458 CB GLN A 525 2.731 7.145 -4.874 1.00 0.00 C ATOM 459 CG GLN A 525 3.420 8.510 -5.034 1.00 0.00 C ATOM 460 CD GLN A 525 2.901 9.224 -6.279 1.00 0.00 C ATOM 461 OE1 GLN A 525 1.719 9.564 -6.355 1.00 0.00 O ATOM 462 NE2 GLN A 525 3.718 9.475 -7.266 1.00 0.00 N ATOM 0 H GLN A 525 2.542 8.079 -2.605 1.00 0.00 H new ATOM 0 HA GLN A 525 0.729 7.955 -4.772 1.00 0.00 H new ATOM 0 HB2 GLN A 525 3.366 6.474 -4.295 1.00 0.00 H new ATOM 0 HB3 GLN A 525 2.588 6.684 -5.852 1.00 0.00 H new ATOM 0 HG2 GLN A 525 3.236 9.123 -4.152 1.00 0.00 H new ATOM 0 HG3 GLN A 525 4.499 8.374 -5.108 1.00 0.00 H new ATOM 0 HE21 GLN A 525 4.696 9.193 -7.202 1.00 0.00 H new ATOM 0 HE22 GLN A 525 3.378 9.953 -8.101 1.00 0.00 H new ATOM 471 N ILE A 526 1.317 5.112 -3.179 1.00 0.00 N ATOM 472 CA ILE A 526 0.797 3.772 -2.942 1.00 0.00 C ATOM 473 C ILE A 526 -0.669 3.830 -2.531 1.00 0.00 C ATOM 474 O ILE A 526 -1.532 3.242 -3.181 1.00 0.00 O ATOM 475 CB ILE A 526 1.632 3.088 -1.851 1.00 0.00 C ATOM 476 CG1 ILE A 526 3.013 2.758 -2.432 1.00 0.00 C ATOM 477 CG2 ILE A 526 0.938 1.801 -1.370 1.00 0.00 C ATOM 478 CD1 ILE A 526 3.957 2.312 -1.316 1.00 0.00 C ATOM 0 H ILE A 526 2.158 5.339 -2.649 1.00 0.00 H new ATOM 0 HA ILE A 526 0.866 3.195 -3.864 1.00 0.00 H new ATOM 0 HB ILE A 526 1.736 3.755 -0.995 1.00 0.00 H new ATOM 0 HG12 ILE A 526 2.923 1.970 -3.180 1.00 0.00 H new ATOM 0 HG13 ILE A 526 3.422 3.633 -2.938 1.00 0.00 H new ATOM 0 HG21 ILE A 526 1.543 1.328 -0.597 1.00 0.00 H new ATOM 0 HG22 ILE A 526 -0.043 2.047 -0.963 1.00 0.00 H new ATOM 0 HG23 ILE A 526 0.821 1.115 -2.209 1.00 0.00 H new ATOM 0 HD11 ILE A 526 4.935 2.080 -1.738 1.00 0.00 H new ATOM 0 HD12 ILE A 526 4.059 3.113 -0.584 1.00 0.00 H new ATOM 0 HD13 ILE A 526 3.552 1.425 -0.830 1.00 0.00 H new ATOM 490 N VAL A 527 -0.941 4.532 -1.437 1.00 0.00 N ATOM 491 CA VAL A 527 -2.304 4.648 -0.931 1.00 0.00 C ATOM 492 C VAL A 527 -3.290 4.862 -2.079 1.00 0.00 C ATOM 493 O VAL A 527 -4.212 4.069 -2.272 1.00 0.00 O ATOM 494 CB VAL A 527 -2.374 5.817 0.064 1.00 0.00 C ATOM 495 CG1 VAL A 527 -3.832 6.154 0.403 1.00 0.00 C ATOM 496 CG2 VAL A 527 -1.631 5.431 1.354 1.00 0.00 C ATOM 0 H VAL A 527 -0.240 5.027 -0.886 1.00 0.00 H new ATOM 0 HA VAL A 527 -2.579 3.723 -0.424 1.00 0.00 H new ATOM 0 HB VAL A 527 -1.909 6.691 -0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 527 -3.859 6.984 1.109 1.00 0.00 H new ATOM 0 HG12 VAL A 527 -4.362 6.434 -0.507 1.00 0.00 H new ATOM 0 HG13 VAL A 527 -4.313 5.283 0.849 1.00 0.00 H new ATOM 0 HG21 VAL A 527 -1.678 6.258 2.063 1.00 0.00 H new ATOM 0 HG22 VAL A 527 -2.098 4.550 1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 527 -0.589 5.211 1.122 1.00 0.00 H new ATOM 506 N ASN A 528 -3.088 5.935 -2.838 1.00 0.00 N ATOM 507 CA ASN A 528 -3.965 6.239 -3.964 1.00 0.00 C ATOM 508 C ASN A 528 -3.931 5.129 -5.014 1.00 0.00 C ATOM 509 O ASN A 528 -4.846 5.009 -5.827 1.00 0.00 O ATOM 510 CB ASN A 528 -3.540 7.560 -4.607 1.00 0.00 C ATOM 511 CG ASN A 528 -3.478 8.659 -3.550 1.00 0.00 C ATOM 512 OD1 ASN A 528 -2.754 9.641 -3.716 1.00 0.00 O ATOM 513 ND2 ASN A 528 -4.199 8.552 -2.469 1.00 0.00 N ATOM 0 H ASN A 528 -2.331 6.604 -2.696 1.00 0.00 H new ATOM 0 HA ASN A 528 -4.984 6.319 -3.584 1.00 0.00 H new ATOM 0 HB2 ASN A 528 -2.566 7.446 -5.082 1.00 0.00 H new ATOM 0 HB3 ASN A 528 -4.246 7.837 -5.390 1.00 0.00 H new ATOM 0 HD21 ASN A 528 -4.164 9.283 -1.758 1.00 0.00 H new ATOM 0 HD22 ASN A 528 -4.798 7.737 -2.334 1.00 0.00 H new ATOM 520 N LEU A 529 -2.869 4.322 -5.004 1.00 0.00 N ATOM 521 CA LEU A 529 -2.745 3.241 -5.979 1.00 0.00 C ATOM 522 C LEU A 529 -3.752 2.143 -5.667 1.00 0.00 C ATOM 523 O LEU A 529 -4.631 1.844 -6.474 1.00 0.00 O ATOM 524 CB LEU A 529 -1.313 2.680 -5.956 1.00 0.00 C ATOM 525 CG LEU A 529 -0.956 2.015 -7.300 1.00 0.00 C ATOM 526 CD1 LEU A 529 -1.988 0.930 -7.634 1.00 0.00 C ATOM 527 CD2 LEU A 529 -0.910 3.061 -8.435 1.00 0.00 C ATOM 0 H LEU A 529 -2.095 4.395 -4.343 1.00 0.00 H new ATOM 0 HA LEU A 529 -2.952 3.630 -6.976 1.00 0.00 H new ATOM 0 HB2 LEU A 529 -0.608 3.484 -5.746 1.00 0.00 H new ATOM 0 HB3 LEU A 529 -1.217 1.953 -5.150 1.00 0.00 H new ATOM 0 HG LEU A 529 0.031 1.562 -7.209 1.00 0.00 H new ATOM 0 HD11 LEU A 529 -1.731 0.463 -8.585 1.00 0.00 H new ATOM 0 HD12 LEU A 529 -1.989 0.175 -6.848 1.00 0.00 H new ATOM 0 HD13 LEU A 529 -2.978 1.380 -7.707 1.00 0.00 H new ATOM 0 HD21 LEU A 529 -0.656 2.568 -9.374 1.00 0.00 H new ATOM 0 HD22 LEU A 529 -1.885 3.540 -8.528 1.00 0.00 H new ATOM 0 HD23 LEU A 529 -0.156 3.814 -8.205 1.00 0.00 H new ATOM 539 N ILE A 530 -3.606 1.533 -4.500 1.00 0.00 N ATOM 540 CA ILE A 530 -4.501 0.456 -4.116 1.00 0.00 C ATOM 541 C ILE A 530 -5.915 0.983 -3.908 1.00 0.00 C ATOM 542 O ILE A 530 -6.882 0.405 -4.404 1.00 0.00 O ATOM 543 CB ILE A 530 -3.969 -0.263 -2.868 1.00 0.00 C ATOM 544 CG1 ILE A 530 -3.788 0.709 -1.690 1.00 0.00 C ATOM 545 CG2 ILE A 530 -2.609 -0.866 -3.211 1.00 0.00 C ATOM 546 CD1 ILE A 530 -3.477 -0.074 -0.405 1.00 0.00 C ATOM 0 H ILE A 530 -2.887 1.762 -3.813 1.00 0.00 H new ATOM 0 HA ILE A 530 -4.542 -0.275 -4.924 1.00 0.00 H new ATOM 0 HB ILE A 530 -4.687 -1.028 -2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 530 -2.979 1.407 -1.905 1.00 0.00 H new ATOM 0 HG13 ILE A 530 -4.693 1.302 -1.555 1.00 0.00 H new ATOM 0 HG21 ILE A 530 -2.210 -1.383 -2.338 1.00 0.00 H new ATOM 0 HG22 ILE A 530 -2.721 -1.574 -4.032 1.00 0.00 H new ATOM 0 HG23 ILE A 530 -1.923 -0.072 -3.507 1.00 0.00 H new ATOM 0 HD11 ILE A 530 -3.350 0.622 0.424 1.00 0.00 H new ATOM 0 HD12 ILE A 530 -4.300 -0.754 -0.185 1.00 0.00 H new ATOM 0 HD13 ILE A 530 -2.560 -0.647 -0.541 1.00 0.00 H new ATOM 558 N GLU A 531 -6.027 2.078 -3.170 1.00 0.00 N ATOM 559 CA GLU A 531 -7.327 2.673 -2.894 1.00 0.00 C ATOM 560 C GLU A 531 -8.201 2.646 -4.148 1.00 0.00 C ATOM 561 O GLU A 531 -9.391 2.342 -4.085 1.00 0.00 O ATOM 562 CB GLU A 531 -7.165 4.115 -2.408 1.00 0.00 C ATOM 563 CG GLU A 531 -8.546 4.706 -2.085 1.00 0.00 C ATOM 564 CD GLU A 531 -8.409 5.852 -1.089 1.00 0.00 C ATOM 565 OE1 GLU A 531 -7.385 6.515 -1.116 1.00 0.00 O ATOM 566 OE2 GLU A 531 -9.327 6.047 -0.312 1.00 0.00 O ATOM 0 H GLU A 531 -5.237 2.571 -2.753 1.00 0.00 H new ATOM 0 HA GLU A 531 -7.810 2.089 -2.111 1.00 0.00 H new ATOM 0 HB2 GLU A 531 -6.530 4.142 -1.522 1.00 0.00 H new ATOM 0 HB3 GLU A 531 -6.671 4.714 -3.173 1.00 0.00 H new ATOM 0 HG2 GLU A 531 -9.019 5.064 -2.999 1.00 0.00 H new ATOM 0 HG3 GLU A 531 -9.193 3.932 -1.673 1.00 0.00 H new ATOM 573 N GLU A 532 -7.588 2.964 -5.286 1.00 0.00 N ATOM 574 CA GLU A 532 -8.302 2.974 -6.559 1.00 0.00 C ATOM 575 C GLU A 532 -8.788 1.570 -6.921 1.00 0.00 C ATOM 576 O GLU A 532 -9.848 1.407 -7.526 1.00 0.00 O ATOM 577 CB GLU A 532 -7.378 3.502 -7.661 1.00 0.00 C ATOM 578 CG GLU A 532 -7.233 5.021 -7.529 1.00 0.00 C ATOM 579 CD GLU A 532 -8.493 5.713 -8.034 1.00 0.00 C ATOM 580 OE1 GLU A 532 -8.641 5.821 -9.241 1.00 0.00 O ATOM 581 OE2 GLU A 532 -9.291 6.125 -7.209 1.00 0.00 O ATOM 0 H GLU A 532 -6.602 3.217 -5.352 1.00 0.00 H new ATOM 0 HA GLU A 532 -9.171 3.625 -6.465 1.00 0.00 H new ATOM 0 HB2 GLU A 532 -6.400 3.026 -7.588 1.00 0.00 H new ATOM 0 HB3 GLU A 532 -7.783 3.249 -8.641 1.00 0.00 H new ATOM 0 HG2 GLU A 532 -7.055 5.288 -6.487 1.00 0.00 H new ATOM 0 HG3 GLU A 532 -6.368 5.362 -8.098 1.00 0.00 H new ATOM 588 N THR A 533 -8.000 0.561 -6.554 1.00 0.00 N ATOM 589 CA THR A 533 -8.354 -0.823 -6.857 1.00 0.00 C ATOM 590 C THR A 533 -9.557 -1.272 -6.033 1.00 0.00 C ATOM 591 O THR A 533 -10.527 -1.802 -6.575 1.00 0.00 O ATOM 592 CB THR A 533 -7.168 -1.750 -6.572 1.00 0.00 C ATOM 593 OG1 THR A 533 -6.957 -1.828 -5.168 1.00 0.00 O ATOM 594 CG2 THR A 533 -5.911 -1.203 -7.250 1.00 0.00 C ATOM 0 H THR A 533 -7.120 0.675 -6.051 1.00 0.00 H new ATOM 0 HA THR A 533 -8.612 -0.878 -7.915 1.00 0.00 H new ATOM 0 HB THR A 533 -7.383 -2.744 -6.964 1.00 0.00 H new ATOM 0 HG1 THR A 533 -6.573 -0.985 -4.848 1.00 0.00 H new ATOM 0 HG21 THR A 533 -5.070 -1.865 -7.045 1.00 0.00 H new ATOM 0 HG22 THR A 533 -6.074 -1.146 -8.326 1.00 0.00 H new ATOM 0 HG23 THR A 533 -5.692 -0.208 -6.863 1.00 0.00 H new ATOM 602 N GLY A 534 -9.488 -1.056 -4.718 1.00 0.00 N ATOM 603 CA GLY A 534 -10.580 -1.439 -3.816 1.00 0.00 C ATOM 604 C GLY A 534 -10.084 -2.375 -2.718 1.00 0.00 C ATOM 605 O GLY A 534 -10.763 -2.579 -1.713 1.00 0.00 O ATOM 0 H GLY A 534 -8.691 -0.620 -4.254 1.00 0.00 H new ATOM 0 HA2 GLY A 534 -11.015 -0.546 -3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 534 -11.371 -1.928 -4.385 1.00 0.00 H new ATOM 609 N HIS A 535 -8.907 -2.955 -2.923 1.00 0.00 N ATOM 610 CA HIS A 535 -8.342 -3.882 -1.947 1.00 0.00 C ATOM 611 C HIS A 535 -7.777 -3.145 -0.735 1.00 0.00 C ATOM 612 O HIS A 535 -6.650 -3.408 -0.317 1.00 0.00 O ATOM 613 CB HIS A 535 -7.235 -4.712 -2.600 1.00 0.00 C ATOM 614 CG HIS A 535 -7.841 -5.695 -3.565 1.00 0.00 C ATOM 615 ND1 HIS A 535 -7.504 -7.040 -3.558 1.00 0.00 N ATOM 616 CD2 HIS A 535 -8.764 -5.544 -4.568 1.00 0.00 C ATOM 617 CE1 HIS A 535 -8.215 -7.640 -4.531 1.00 0.00 C ATOM 618 NE2 HIS A 535 -8.999 -6.774 -5.177 1.00 0.00 N ATOM 0 H HIS A 535 -8.329 -2.802 -3.749 1.00 0.00 H new ATOM 0 HA HIS A 535 -9.144 -4.535 -1.604 1.00 0.00 H new ATOM 0 HB2 HIS A 535 -6.537 -4.058 -3.122 1.00 0.00 H new ATOM 0 HB3 HIS A 535 -6.665 -5.241 -1.836 1.00 0.00 H new ATOM 0 HD1 HIS A 535 -6.839 -7.492 -2.930 1.00 0.00 H new ATOM 0 HD2 HIS A 535 -9.237 -4.613 -4.844 1.00 0.00 H new ATOM 0 HE1 HIS A 535 -8.158 -8.694 -4.761 1.00 0.00 H new ATOM 627 N PHE A 536 -8.554 -2.219 -0.169 1.00 0.00 N ATOM 628 CA PHE A 536 -8.100 -1.454 0.997 1.00 0.00 C ATOM 629 C PHE A 536 -9.230 -1.287 2.013 1.00 0.00 C ATOM 630 O PHE A 536 -10.410 -1.297 1.663 1.00 0.00 O ATOM 631 CB PHE A 536 -7.588 -0.076 0.549 1.00 0.00 C ATOM 632 CG PHE A 536 -8.754 0.844 0.250 1.00 0.00 C ATOM 633 CD1 PHE A 536 -9.530 0.644 -0.898 1.00 0.00 C ATOM 634 CD2 PHE A 536 -9.059 1.897 1.122 1.00 0.00 C ATOM 635 CE1 PHE A 536 -10.606 1.496 -1.172 1.00 0.00 C ATOM 636 CE2 PHE A 536 -10.136 2.747 0.845 1.00 0.00 C ATOM 637 CZ PHE A 536 -10.908 2.546 -0.302 1.00 0.00 C ATOM 0 H PHE A 536 -9.491 -1.981 -0.494 1.00 0.00 H new ATOM 0 HA PHE A 536 -7.289 -2.003 1.475 1.00 0.00 H new ATOM 0 HB2 PHE A 536 -6.963 0.359 1.329 1.00 0.00 H new ATOM 0 HB3 PHE A 536 -6.963 -0.183 -0.338 1.00 0.00 H new ATOM 0 HD1 PHE A 536 -9.298 -0.168 -1.572 1.00 0.00 H new ATOM 0 HD2 PHE A 536 -8.463 2.053 2.009 1.00 0.00 H new ATOM 0 HE1 PHE A 536 -11.204 1.341 -2.058 1.00 0.00 H new ATOM 0 HE2 PHE A 536 -10.370 3.558 1.518 1.00 0.00 H new ATOM 0 HZ PHE A 536 -11.738 3.203 -0.516 1.00 0.00 H new ATOM 647 N HIS A 537 -8.838 -1.111 3.274 1.00 0.00 N ATOM 648 CA HIS A 537 -9.787 -0.914 4.369 1.00 0.00 C ATOM 649 C HIS A 537 -9.267 0.180 5.299 1.00 0.00 C ATOM 650 O HIS A 537 -8.131 0.115 5.770 1.00 0.00 O ATOM 651 CB HIS A 537 -9.964 -2.216 5.153 1.00 0.00 C ATOM 652 CG HIS A 537 -11.093 -2.058 6.133 1.00 0.00 C ATOM 653 ND1 HIS A 537 -12.379 -2.494 5.855 1.00 0.00 N ATOM 654 CD2 HIS A 537 -11.145 -1.518 7.393 1.00 0.00 C ATOM 655 CE1 HIS A 537 -13.144 -2.211 6.926 1.00 0.00 C ATOM 656 NE2 HIS A 537 -12.440 -1.615 7.893 1.00 0.00 N ATOM 0 H HIS A 537 -7.860 -1.101 3.564 1.00 0.00 H new ATOM 0 HA HIS A 537 -10.752 -0.617 3.958 1.00 0.00 H new ATOM 0 HB2 HIS A 537 -10.173 -3.039 4.470 1.00 0.00 H new ATOM 0 HB3 HIS A 537 -9.043 -2.465 5.680 1.00 0.00 H new ATOM 0 HD2 HIS A 537 -10.307 -1.083 7.918 1.00 0.00 H new ATOM 0 HE1 HIS A 537 -14.198 -2.438 6.995 1.00 0.00 H new ATOM 0 HE2 HIS A 537 -12.779 -1.299 8.802 1.00 0.00 H new ATOM 665 N ILE A 538 -10.115 1.173 5.580 1.00 0.00 N ATOM 666 CA ILE A 538 -9.745 2.269 6.481 1.00 0.00 C ATOM 667 C ILE A 538 -10.538 2.150 7.781 1.00 0.00 C ATOM 668 O ILE A 538 -11.769 2.147 7.769 1.00 0.00 O ATOM 669 CB ILE A 538 -10.033 3.623 5.818 1.00 0.00 C ATOM 670 CG1 ILE A 538 -9.406 3.645 4.412 1.00 0.00 C ATOM 671 CG2 ILE A 538 -9.431 4.747 6.672 1.00 0.00 C ATOM 672 CD1 ILE A 538 -9.385 5.078 3.859 1.00 0.00 C ATOM 0 H ILE A 538 -11.059 1.241 5.199 1.00 0.00 H new ATOM 0 HA ILE A 538 -8.679 2.206 6.698 1.00 0.00 H new ATOM 0 HB ILE A 538 -11.110 3.771 5.736 1.00 0.00 H new ATOM 0 HG12 ILE A 538 -8.391 3.249 4.453 1.00 0.00 H new ATOM 0 HG13 ILE A 538 -9.974 2.998 3.743 1.00 0.00 H new ATOM 0 HG21 ILE A 538 -9.635 5.709 6.203 1.00 0.00 H new ATOM 0 HG22 ILE A 538 -9.877 4.727 7.667 1.00 0.00 H new ATOM 0 HG23 ILE A 538 -8.354 4.604 6.754 1.00 0.00 H new ATOM 0 HD11 ILE A 538 -8.939 5.078 2.864 1.00 0.00 H new ATOM 0 HD12 ILE A 538 -10.404 5.460 3.800 1.00 0.00 H new ATOM 0 HD13 ILE A 538 -8.797 5.715 4.520 1.00 0.00 H new ATOM 684 N THR A 539 -9.824 2.038 8.899 1.00 0.00 N ATOM 685 CA THR A 539 -10.469 1.903 10.205 1.00 0.00 C ATOM 686 C THR A 539 -10.813 3.269 10.789 1.00 0.00 C ATOM 687 O THR A 539 -10.879 4.265 10.069 1.00 0.00 O ATOM 688 CB THR A 539 -9.539 1.157 11.166 1.00 0.00 C ATOM 689 OG1 THR A 539 -8.356 1.918 11.361 1.00 0.00 O ATOM 690 CG2 THR A 539 -9.179 -0.208 10.577 1.00 0.00 C ATOM 0 H THR A 539 -8.804 2.038 8.928 1.00 0.00 H new ATOM 0 HA THR A 539 -11.393 1.340 10.073 1.00 0.00 H new ATOM 0 HB THR A 539 -10.043 1.014 12.122 1.00 0.00 H new ATOM 0 HG1 THR A 539 -7.760 1.444 11.977 1.00 0.00 H new ATOM 0 HG21 THR A 539 -8.517 -0.737 11.263 1.00 0.00 H new ATOM 0 HG22 THR A 539 -10.088 -0.791 10.428 1.00 0.00 H new ATOM 0 HG23 THR A 539 -8.675 -0.070 9.620 1.00 0.00 H new ATOM 698 N ASN A 540 -11.033 3.308 12.104 1.00 0.00 N ATOM 699 CA ASN A 540 -11.371 4.559 12.783 1.00 0.00 C ATOM 700 C ASN A 540 -10.510 5.702 12.256 1.00 0.00 C ATOM 701 O ASN A 540 -11.006 6.601 11.577 1.00 0.00 O ATOM 702 CB ASN A 540 -11.161 4.411 14.291 1.00 0.00 C ATOM 703 CG ASN A 540 -11.732 5.623 15.017 1.00 0.00 C ATOM 704 OD1 ASN A 540 -12.736 6.191 14.585 1.00 0.00 O ATOM 705 ND2 ASN A 540 -11.151 6.057 16.102 1.00 0.00 N ATOM 0 H ASN A 540 -10.984 2.494 12.716 1.00 0.00 H new ATOM 0 HA ASN A 540 -12.419 4.786 12.585 1.00 0.00 H new ATOM 0 HB2 ASN A 540 -11.646 3.502 14.647 1.00 0.00 H new ATOM 0 HB3 ASN A 540 -10.098 4.312 14.511 1.00 0.00 H new ATOM 0 HD21 ASN A 540 -11.528 6.867 16.593 1.00 0.00 H new ATOM 0 HD22 ASN A 540 -10.320 5.586 16.459 1.00 0.00 H new ATOM 712 N THR A 541 -9.213 5.655 12.560 1.00 0.00 N ATOM 713 CA THR A 541 -8.287 6.688 12.097 1.00 0.00 C ATOM 714 C THR A 541 -6.930 6.077 11.764 1.00 0.00 C ATOM 715 O THR A 541 -5.966 6.222 12.516 1.00 0.00 O ATOM 716 CB THR A 541 -8.115 7.757 13.179 1.00 0.00 C ATOM 717 OG1 THR A 541 -7.770 7.132 14.408 1.00 0.00 O ATOM 718 CG2 THR A 541 -9.423 8.529 13.347 1.00 0.00 C ATOM 0 H THR A 541 -8.783 4.919 13.120 1.00 0.00 H new ATOM 0 HA THR A 541 -8.699 7.145 11.197 1.00 0.00 H new ATOM 0 HB THR A 541 -7.324 8.447 12.887 1.00 0.00 H new ATOM 0 HG1 THR A 541 -6.967 6.585 14.283 1.00 0.00 H new ATOM 0 HG21 THR A 541 -9.300 9.290 14.118 1.00 0.00 H new ATOM 0 HG22 THR A 541 -9.687 9.007 12.404 1.00 0.00 H new ATOM 0 HG23 THR A 541 -10.216 7.841 13.640 1.00 0.00 H new ATOM 726 N THR A 542 -6.865 5.404 10.620 1.00 0.00 N ATOM 727 CA THR A 542 -5.629 4.775 10.161 1.00 0.00 C ATOM 728 C THR A 542 -5.847 4.221 8.753 1.00 0.00 C ATOM 729 O THR A 542 -6.987 4.076 8.314 1.00 0.00 O ATOM 730 CB THR A 542 -5.202 3.637 11.126 1.00 0.00 C ATOM 731 OG1 THR A 542 -5.877 3.790 12.366 1.00 0.00 O ATOM 732 CG2 THR A 542 -3.687 3.682 11.373 1.00 0.00 C ATOM 0 H THR A 542 -7.657 5.279 9.990 1.00 0.00 H new ATOM 0 HA THR A 542 -4.832 5.518 10.144 1.00 0.00 H new ATOM 0 HB THR A 542 -5.462 2.680 10.673 1.00 0.00 H new ATOM 0 HG1 THR A 542 -5.518 4.569 12.840 1.00 0.00 H new ATOM 0 HG21 THR A 542 -3.405 2.877 12.052 1.00 0.00 H new ATOM 0 HG22 THR A 542 -3.160 3.560 10.427 1.00 0.00 H new ATOM 0 HG23 THR A 542 -3.419 4.641 11.816 1.00 0.00 H new ATOM 740 N PHE A 543 -4.761 3.886 8.058 1.00 0.00 N ATOM 741 CA PHE A 543 -4.861 3.321 6.709 1.00 0.00 C ATOM 742 C PHE A 543 -4.253 1.924 6.702 1.00 0.00 C ATOM 743 O PHE A 543 -3.037 1.767 6.717 1.00 0.00 O ATOM 744 CB PHE A 543 -4.122 4.217 5.716 1.00 0.00 C ATOM 745 CG PHE A 543 -4.192 3.604 4.341 1.00 0.00 C ATOM 746 CD1 PHE A 543 -5.335 3.787 3.559 1.00 0.00 C ATOM 747 CD2 PHE A 543 -3.117 2.852 3.849 1.00 0.00 C ATOM 748 CE1 PHE A 543 -5.407 3.224 2.282 1.00 0.00 C ATOM 749 CE2 PHE A 543 -3.187 2.286 2.571 1.00 0.00 C ATOM 750 CZ PHE A 543 -4.334 2.473 1.787 1.00 0.00 C ATOM 0 H PHE A 543 -3.807 3.994 8.402 1.00 0.00 H new ATOM 0 HA PHE A 543 -5.909 3.261 6.416 1.00 0.00 H new ATOM 0 HB2 PHE A 543 -4.567 5.212 5.706 1.00 0.00 H new ATOM 0 HB3 PHE A 543 -3.082 4.336 6.021 1.00 0.00 H new ATOM 0 HD1 PHE A 543 -6.164 4.364 3.942 1.00 0.00 H new ATOM 0 HD2 PHE A 543 -2.235 2.709 4.456 1.00 0.00 H new ATOM 0 HE1 PHE A 543 -6.290 3.368 1.677 1.00 0.00 H new ATOM 0 HE2 PHE A 543 -2.359 1.706 2.190 1.00 0.00 H new ATOM 0 HZ PHE A 543 -4.390 2.037 0.800 1.00 0.00 H new ATOM 760 N ASP A 544 -5.108 0.903 6.699 1.00 0.00 N ATOM 761 CA ASP A 544 -4.639 -0.484 6.713 1.00 0.00 C ATOM 762 C ASP A 544 -4.847 -1.148 5.356 1.00 0.00 C ATOM 763 O ASP A 544 -5.881 -0.968 4.713 1.00 0.00 O ATOM 764 CB ASP A 544 -5.401 -1.272 7.780 1.00 0.00 C ATOM 765 CG ASP A 544 -5.054 -0.741 9.166 1.00 0.00 C ATOM 766 OD1 ASP A 544 -5.041 0.469 9.329 1.00 0.00 O ATOM 767 OD2 ASP A 544 -4.807 -1.550 10.045 1.00 0.00 O ATOM 0 H ASP A 544 -6.123 1.007 6.687 1.00 0.00 H new ATOM 0 HA ASP A 544 -3.573 -0.480 6.938 1.00 0.00 H new ATOM 0 HB2 ASP A 544 -6.474 -1.189 7.608 1.00 0.00 H new ATOM 0 HB3 ASP A 544 -5.148 -2.330 7.713 1.00 0.00 H new ATOM 772 N PHE A 545 -3.853 -1.925 4.933 1.00 0.00 N ATOM 773 CA PHE A 545 -3.925 -2.628 3.653 1.00 0.00 C ATOM 774 C PHE A 545 -3.046 -3.876 3.685 1.00 0.00 C ATOM 775 O PHE A 545 -1.921 -3.833 4.181 1.00 0.00 O ATOM 776 CB PHE A 545 -3.480 -1.705 2.515 1.00 0.00 C ATOM 777 CG PHE A 545 -2.010 -1.388 2.656 1.00 0.00 C ATOM 778 CD1 PHE A 545 -1.584 -0.445 3.598 1.00 0.00 C ATOM 779 CD2 PHE A 545 -1.072 -2.034 1.838 1.00 0.00 C ATOM 780 CE1 PHE A 545 -0.222 -0.148 3.724 1.00 0.00 C ATOM 781 CE2 PHE A 545 0.289 -1.734 1.965 1.00 0.00 C ATOM 782 CZ PHE A 545 0.714 -0.791 2.907 1.00 0.00 C ATOM 0 H PHE A 545 -2.991 -2.084 5.455 1.00 0.00 H new ATOM 0 HA PHE A 545 -4.958 -2.928 3.480 1.00 0.00 H new ATOM 0 HB2 PHE A 545 -3.667 -2.182 1.553 1.00 0.00 H new ATOM 0 HB3 PHE A 545 -4.063 -0.784 2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 545 -2.306 0.054 4.228 1.00 0.00 H new ATOM 0 HD2 PHE A 545 -1.400 -2.762 1.111 1.00 0.00 H new ATOM 0 HE1 PHE A 545 0.107 0.578 4.453 1.00 0.00 H new ATOM 0 HE2 PHE A 545 1.012 -2.231 1.335 1.00 0.00 H new ATOM 0 HZ PHE A 545 1.764 -0.559 3.003 1.00 0.00 H new ATOM 792 N ASP A 546 -3.551 -4.990 3.154 1.00 0.00 N ATOM 793 CA ASP A 546 -2.779 -6.235 3.135 1.00 0.00 C ATOM 794 C ASP A 546 -1.979 -6.350 1.838 1.00 0.00 C ATOM 795 O ASP A 546 -2.438 -5.938 0.773 1.00 0.00 O ATOM 796 CB ASP A 546 -3.723 -7.433 3.259 1.00 0.00 C ATOM 797 CG ASP A 546 -4.258 -7.526 4.683 1.00 0.00 C ATOM 798 OD1 ASP A 546 -3.453 -7.534 5.600 1.00 0.00 O ATOM 799 OD2 ASP A 546 -5.467 -7.590 4.836 1.00 0.00 O ATOM 0 H ASP A 546 -4.479 -5.057 2.736 1.00 0.00 H new ATOM 0 HA ASP A 546 -2.087 -6.226 3.977 1.00 0.00 H new ATOM 0 HB2 ASP A 546 -4.550 -7.330 2.556 1.00 0.00 H new ATOM 0 HB3 ASP A 546 -3.196 -8.351 2.998 1.00 0.00 H new ATOM 804 N LEU A 547 -0.779 -6.910 1.944 1.00 0.00 N ATOM 805 CA LEU A 547 0.087 -7.074 0.780 1.00 0.00 C ATOM 806 C LEU A 547 -0.380 -8.251 -0.074 1.00 0.00 C ATOM 807 O LEU A 547 -0.048 -8.345 -1.256 1.00 0.00 O ATOM 808 CB LEU A 547 1.531 -7.320 1.228 1.00 0.00 C ATOM 809 CG LEU A 547 2.165 -6.020 1.753 1.00 0.00 C ATOM 810 CD1 LEU A 547 2.354 -5.010 0.602 1.00 0.00 C ATOM 811 CD2 LEU A 547 1.272 -5.406 2.836 1.00 0.00 C ATOM 0 H LEU A 547 -0.384 -7.257 2.818 1.00 0.00 H new ATOM 0 HA LEU A 547 0.038 -6.160 0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.551 -8.081 2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.116 -7.705 0.393 1.00 0.00 H new ATOM 0 HG LEU A 547 3.141 -6.255 2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 547 2.803 -4.096 0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 547 3.007 -5.441 -0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 547 1.386 -4.778 0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 547 1.726 -4.486 3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 547 0.291 -5.184 2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 547 1.162 -6.111 3.660 1.00 0.00 H new ATOM 823 N CYS A 548 -1.147 -9.148 0.535 1.00 0.00 N ATOM 824 CA CYS A 548 -1.656 -10.318 -0.175 1.00 0.00 C ATOM 825 C CYS A 548 -2.913 -9.957 -0.955 1.00 0.00 C ATOM 826 O CYS A 548 -3.405 -10.749 -1.760 1.00 0.00 O ATOM 827 CB CYS A 548 -1.968 -11.434 0.826 1.00 0.00 C ATOM 828 SG CYS A 548 -2.078 -13.015 -0.047 1.00 0.00 S ATOM 0 H CYS A 548 -1.430 -9.089 1.513 1.00 0.00 H new ATOM 0 HA CYS A 548 -0.896 -10.664 -0.876 1.00 0.00 H new ATOM 0 HB2 CYS A 548 -1.190 -11.481 1.588 1.00 0.00 H new ATOM 0 HB3 CYS A 548 -2.906 -11.224 1.340 1.00 0.00 H new ATOM 0 HG CYS A 548 -2.685 -12.842 -1.183 1.00 0.00 H new ATOM 834 N SER A 549 -3.423 -8.754 -0.717 1.00 0.00 N ATOM 835 CA SER A 549 -4.622 -8.282 -1.406 1.00 0.00 C ATOM 836 C SER A 549 -4.242 -7.441 -2.624 1.00 0.00 C ATOM 837 O SER A 549 -5.080 -6.744 -3.196 1.00 0.00 O ATOM 838 CB SER A 549 -5.473 -7.446 -0.452 1.00 0.00 C ATOM 839 OG SER A 549 -4.906 -6.148 -0.331 1.00 0.00 O ATOM 0 H SER A 549 -3.027 -8.088 -0.054 1.00 0.00 H new ATOM 0 HA SER A 549 -5.194 -9.147 -1.740 1.00 0.00 H new ATOM 0 HB2 SER A 549 -6.495 -7.376 -0.825 1.00 0.00 H new ATOM 0 HB3 SER A 549 -5.522 -7.926 0.525 1.00 0.00 H new ATOM 0 HG SER A 549 -3.965 -6.225 -0.069 1.00 0.00 H new ATOM 845 N LEU A 550 -2.968 -7.519 -3.011 1.00 0.00 N ATOM 846 CA LEU A 550 -2.468 -6.769 -4.163 1.00 0.00 C ATOM 847 C LEU A 550 -2.660 -7.564 -5.450 1.00 0.00 C ATOM 848 O LEU A 550 -2.829 -8.782 -5.420 1.00 0.00 O ATOM 849 CB LEU A 550 -0.973 -6.472 -3.993 1.00 0.00 C ATOM 850 CG LEU A 550 -0.721 -5.720 -2.679 1.00 0.00 C ATOM 851 CD1 LEU A 550 0.788 -5.455 -2.524 1.00 0.00 C ATOM 852 CD2 LEU A 550 -1.495 -4.388 -2.685 1.00 0.00 C ATOM 0 H LEU A 550 -2.265 -8.093 -2.545 1.00 0.00 H new ATOM 0 HA LEU A 550 -3.030 -5.837 -4.223 1.00 0.00 H new ATOM 0 HB2 LEU A 550 -0.408 -7.404 -4.000 1.00 0.00 H new ATOM 0 HB3 LEU A 550 -0.616 -5.877 -4.834 1.00 0.00 H new ATOM 0 HG LEU A 550 -1.067 -6.324 -1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 550 0.970 -4.921 -1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 550 1.324 -6.404 -2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 550 1.140 -4.852 -3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 550 -1.313 -3.857 -1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 550 -1.158 -3.775 -3.521 1.00 0.00 H new ATOM 0 HD23 LEU A 550 -2.562 -4.587 -2.787 1.00 0.00 H new ATOM 864 N ASP A 551 -2.612 -6.861 -6.582 1.00 0.00 N ATOM 865 CA ASP A 551 -2.761 -7.500 -7.892 1.00 0.00 C ATOM 866 C ASP A 551 -1.400 -7.603 -8.570 1.00 0.00 C ATOM 867 O ASP A 551 -0.582 -6.690 -8.476 1.00 0.00 O ATOM 868 CB ASP A 551 -3.719 -6.686 -8.767 1.00 0.00 C ATOM 869 CG ASP A 551 -4.906 -6.209 -7.936 1.00 0.00 C ATOM 870 OD1 ASP A 551 -4.705 -5.359 -7.084 1.00 0.00 O ATOM 871 OD2 ASP A 551 -5.999 -6.700 -8.163 1.00 0.00 O ATOM 0 H ASP A 551 -2.472 -5.851 -6.619 1.00 0.00 H new ATOM 0 HA ASP A 551 -3.172 -8.501 -7.756 1.00 0.00 H new ATOM 0 HB2 ASP A 551 -3.196 -5.830 -9.194 1.00 0.00 H new ATOM 0 HB3 ASP A 551 -4.069 -7.294 -9.601 1.00 0.00 H new ATOM 876 N LYS A 552 -1.158 -8.724 -9.237 1.00 0.00 N ATOM 877 CA LYS A 552 0.120 -8.941 -9.909 1.00 0.00 C ATOM 878 C LYS A 552 0.617 -7.669 -10.594 1.00 0.00 C ATOM 879 O LYS A 552 1.733 -7.217 -10.339 1.00 0.00 O ATOM 880 CB LYS A 552 -0.017 -10.060 -10.944 1.00 0.00 C ATOM 881 CG LYS A 552 -0.694 -11.270 -10.300 1.00 0.00 C ATOM 882 CD LYS A 552 -0.612 -12.467 -11.251 1.00 0.00 C ATOM 883 CE LYS A 552 -1.491 -13.601 -10.720 1.00 0.00 C ATOM 884 NZ LYS A 552 -0.931 -14.104 -9.435 1.00 0.00 N ATOM 0 H LYS A 552 -1.823 -9.492 -9.328 1.00 0.00 H new ATOM 0 HA LYS A 552 0.850 -9.226 -9.151 1.00 0.00 H new ATOM 0 HB2 LYS A 552 -0.602 -9.713 -11.795 1.00 0.00 H new ATOM 0 HB3 LYS A 552 0.965 -10.340 -11.325 1.00 0.00 H new ATOM 0 HG2 LYS A 552 -0.210 -11.510 -9.353 1.00 0.00 H new ATOM 0 HG3 LYS A 552 -1.736 -11.041 -10.076 1.00 0.00 H new ATOM 0 HD2 LYS A 552 -0.939 -12.175 -12.249 1.00 0.00 H new ATOM 0 HD3 LYS A 552 0.421 -12.804 -11.340 1.00 0.00 H new ATOM 0 HE2 LYS A 552 -2.510 -13.245 -10.570 1.00 0.00 H new ATOM 0 HE3 LYS A 552 -1.539 -14.410 -11.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 552 -1.446 -14.959 -9.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 552 0.076 -14.332 -9.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 552 -1.032 -13.373 -8.703 1.00 0.00 H new ATOM 898 N THR A 553 -0.211 -7.097 -11.458 1.00 0.00 N ATOM 899 CA THR A 553 0.169 -5.878 -12.163 1.00 0.00 C ATOM 900 C THR A 553 0.309 -4.716 -11.188 1.00 0.00 C ATOM 901 O THR A 553 1.036 -3.758 -11.449 1.00 0.00 O ATOM 902 CB THR A 553 -0.874 -5.540 -13.222 1.00 0.00 C ATOM 903 OG1 THR A 553 -1.236 -6.721 -13.925 1.00 0.00 O ATOM 904 CG2 THR A 553 -0.305 -4.512 -14.202 1.00 0.00 C ATOM 0 H THR A 553 -1.140 -7.451 -11.687 1.00 0.00 H new ATOM 0 HA THR A 553 1.131 -6.046 -12.647 1.00 0.00 H new ATOM 0 HB THR A 553 -1.756 -5.121 -12.737 1.00 0.00 H new ATOM 0 HG1 THR A 553 -1.908 -6.504 -14.605 1.00 0.00 H new ATOM 0 HG21 THR A 553 -1.055 -4.275 -14.956 1.00 0.00 H new ATOM 0 HG22 THR A 553 -0.034 -3.605 -13.661 1.00 0.00 H new ATOM 0 HG23 THR A 553 0.580 -4.923 -14.687 1.00 0.00 H new ATOM 912 N THR A 554 -0.387 -4.810 -10.058 1.00 0.00 N ATOM 913 CA THR A 554 -0.329 -3.760 -9.047 1.00 0.00 C ATOM 914 C THR A 554 0.900 -3.939 -8.163 1.00 0.00 C ATOM 915 O THR A 554 1.447 -2.967 -7.642 1.00 0.00 O ATOM 916 CB THR A 554 -1.595 -3.790 -8.184 1.00 0.00 C ATOM 917 OG1 THR A 554 -2.726 -3.530 -9.002 1.00 0.00 O ATOM 918 CG2 THR A 554 -1.501 -2.726 -7.088 1.00 0.00 C ATOM 0 H THR A 554 -0.993 -5.596 -9.821 1.00 0.00 H new ATOM 0 HA THR A 554 -0.262 -2.797 -9.553 1.00 0.00 H new ATOM 0 HB THR A 554 -1.694 -4.772 -7.721 1.00 0.00 H new ATOM 0 HG1 THR A 554 -3.538 -3.550 -8.454 1.00 0.00 H new ATOM 0 HG21 THR A 554 -2.404 -2.752 -6.478 1.00 0.00 H new ATOM 0 HG22 THR A 554 -0.633 -2.926 -6.460 1.00 0.00 H new ATOM 0 HG23 THR A 554 -1.400 -1.741 -7.544 1.00 0.00 H new ATOM 926 N VAL A 555 1.339 -5.186 -8.001 1.00 0.00 N ATOM 927 CA VAL A 555 2.510 -5.467 -7.180 1.00 0.00 C ATOM 928 C VAL A 555 3.755 -4.858 -7.817 1.00 0.00 C ATOM 929 O VAL A 555 4.633 -4.342 -7.126 1.00 0.00 O ATOM 930 CB VAL A 555 2.685 -6.982 -7.023 1.00 0.00 C ATOM 931 CG1 VAL A 555 4.024 -7.283 -6.343 1.00 0.00 C ATOM 932 CG2 VAL A 555 1.546 -7.536 -6.163 1.00 0.00 C ATOM 0 H VAL A 555 0.906 -6.008 -8.423 1.00 0.00 H new ATOM 0 HA VAL A 555 2.368 -5.023 -6.195 1.00 0.00 H new ATOM 0 HB VAL A 555 2.667 -7.450 -8.007 1.00 0.00 H new ATOM 0 HG11 VAL A 555 4.143 -8.361 -6.234 1.00 0.00 H new ATOM 0 HG12 VAL A 555 4.838 -6.888 -6.951 1.00 0.00 H new ATOM 0 HG13 VAL A 555 4.046 -6.814 -5.359 1.00 0.00 H new ATOM 0 HG21 VAL A 555 1.667 -8.613 -6.049 1.00 0.00 H new ATOM 0 HG22 VAL A 555 1.568 -7.063 -5.181 1.00 0.00 H new ATOM 0 HG23 VAL A 555 0.591 -7.327 -6.645 1.00 0.00 H new ATOM 942 N ARG A 556 3.822 -4.928 -9.143 1.00 0.00 N ATOM 943 CA ARG A 556 4.961 -4.387 -9.872 1.00 0.00 C ATOM 944 C ARG A 556 4.927 -2.863 -9.881 1.00 0.00 C ATOM 945 O ARG A 556 5.957 -2.210 -10.039 1.00 0.00 O ATOM 946 CB ARG A 556 4.951 -4.909 -11.314 1.00 0.00 C ATOM 947 CG ARG A 556 4.902 -6.441 -11.317 1.00 0.00 C ATOM 948 CD ARG A 556 6.102 -7.008 -10.545 1.00 0.00 C ATOM 949 NE ARG A 556 7.276 -6.165 -10.738 1.00 0.00 N ATOM 950 CZ ARG A 556 8.008 -6.249 -11.842 1.00 0.00 C ATOM 951 NH1 ARG A 556 7.682 -7.096 -12.779 1.00 0.00 N ATOM 952 NH2 ARG A 556 9.055 -5.485 -11.991 1.00 0.00 N ATOM 0 H ARG A 556 3.104 -5.352 -9.731 1.00 0.00 H new ATOM 0 HA ARG A 556 5.873 -4.711 -9.371 1.00 0.00 H new ATOM 0 HB2 ARG A 556 4.090 -4.508 -11.848 1.00 0.00 H new ATOM 0 HB3 ARG A 556 5.841 -4.564 -11.840 1.00 0.00 H new ATOM 0 HG2 ARG A 556 3.972 -6.784 -10.863 1.00 0.00 H new ATOM 0 HG3 ARG A 556 4.911 -6.811 -12.342 1.00 0.00 H new ATOM 0 HD2 ARG A 556 5.862 -7.071 -9.484 1.00 0.00 H new ATOM 0 HD3 ARG A 556 6.315 -8.022 -10.885 1.00 0.00 H new ATOM 0 HE ARG A 556 7.539 -5.499 -10.012 1.00 0.00 H new ATOM 0 HH11 ARG A 556 6.864 -7.694 -12.664 1.00 0.00 H new ATOM 0 HH12 ARG A 556 8.245 -7.160 -13.627 1.00 0.00 H new ATOM 0 HH21 ARG A 556 9.311 -4.823 -11.259 1.00 0.00 H new ATOM 0 HH22 ARG A 556 9.617 -5.550 -12.840 1.00 0.00 H new ATOM 966 N LYS A 557 3.734 -2.302 -9.698 1.00 0.00 N ATOM 967 CA LYS A 557 3.576 -0.851 -9.676 1.00 0.00 C ATOM 968 C LYS A 557 3.901 -0.307 -8.290 1.00 0.00 C ATOM 969 O LYS A 557 4.285 0.854 -8.141 1.00 0.00 O ATOM 970 CB LYS A 557 2.140 -0.476 -10.051 1.00 0.00 C ATOM 971 CG LYS A 557 1.915 -0.737 -11.542 1.00 0.00 C ATOM 972 CD LYS A 557 0.429 -0.584 -11.870 1.00 0.00 C ATOM 973 CE LYS A 557 0.248 -0.488 -13.387 1.00 0.00 C ATOM 974 NZ LYS A 557 0.870 0.773 -13.883 1.00 0.00 N ATOM 0 H LYS A 557 2.869 -2.826 -9.564 1.00 0.00 H new ATOM 0 HA LYS A 557 4.263 -0.414 -10.400 1.00 0.00 H new ATOM 0 HB2 LYS A 557 1.435 -1.059 -9.459 1.00 0.00 H new ATOM 0 HB3 LYS A 557 1.956 0.574 -9.823 1.00 0.00 H new ATOM 0 HG2 LYS A 557 2.503 -0.038 -12.137 1.00 0.00 H new ATOM 0 HG3 LYS A 557 2.254 -1.740 -11.801 1.00 0.00 H new ATOM 0 HD2 LYS A 557 -0.130 -1.434 -11.480 1.00 0.00 H new ATOM 0 HD3 LYS A 557 0.029 0.308 -11.388 1.00 0.00 H new ATOM 0 HE2 LYS A 557 0.707 -1.348 -13.874 1.00 0.00 H new ATOM 0 HE3 LYS A 557 -0.812 -0.507 -13.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 0.175 1.305 -14.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 1.177 1.350 -13.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 1.692 0.544 -14.477 1.00 0.00 H new ATOM 988 N LEU A 558 3.748 -1.153 -7.276 1.00 0.00 N ATOM 989 CA LEU A 558 4.031 -0.748 -5.903 1.00 0.00 C ATOM 990 C LEU A 558 5.527 -0.817 -5.620 1.00 0.00 C ATOM 991 O LEU A 558 6.173 0.201 -5.380 1.00 0.00 O ATOM 992 CB LEU A 558 3.291 -1.662 -4.922 1.00 0.00 C ATOM 993 CG LEU A 558 1.777 -1.397 -4.990 1.00 0.00 C ATOM 994 CD1 LEU A 558 1.025 -2.589 -4.394 1.00 0.00 C ATOM 995 CD2 LEU A 558 1.411 -0.135 -4.194 1.00 0.00 C ATOM 0 H LEU A 558 3.432 -2.117 -7.378 1.00 0.00 H new ATOM 0 HA LEU A 558 3.691 0.280 -5.775 1.00 0.00 H new ATOM 0 HB2 LEU A 558 3.496 -2.706 -5.160 1.00 0.00 H new ATOM 0 HB3 LEU A 558 3.653 -1.489 -3.908 1.00 0.00 H new ATOM 0 HG LEU A 558 1.498 -1.255 -6.034 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -0.048 -2.403 -4.441 1.00 0.00 H new ATOM 0 HD12 LEU A 558 1.262 -3.489 -4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 558 1.324 -2.725 -3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 558 0.336 0.035 -4.255 1.00 0.00 H new ATOM 0 HD22 LEU A 558 1.699 -0.266 -3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 558 1.938 0.723 -4.611 1.00 0.00 H new ATOM 1007 N GLN A 559 6.069 -2.029 -5.651 1.00 0.00 N ATOM 1008 CA GLN A 559 7.488 -2.230 -5.394 1.00 0.00 C ATOM 1009 C GLN A 559 8.326 -1.181 -6.125 1.00 0.00 C ATOM 1010 O GLN A 559 9.419 -0.827 -5.681 1.00 0.00 O ATOM 1011 CB GLN A 559 7.898 -3.633 -5.847 1.00 0.00 C ATOM 1012 CG GLN A 559 7.092 -4.676 -5.067 1.00 0.00 C ATOM 1013 CD GLN A 559 7.237 -6.045 -5.722 1.00 0.00 C ATOM 1014 OE1 GLN A 559 6.500 -6.974 -5.388 1.00 0.00 O ATOM 1015 NE2 GLN A 559 8.147 -6.228 -6.637 1.00 0.00 N ATOM 0 H GLN A 559 5.549 -2.883 -5.851 1.00 0.00 H new ATOM 0 HA GLN A 559 7.666 -2.126 -4.324 1.00 0.00 H new ATOM 0 HB2 GLN A 559 7.723 -3.747 -6.917 1.00 0.00 H new ATOM 0 HB3 GLN A 559 8.965 -3.783 -5.681 1.00 0.00 H new ATOM 0 HG2 GLN A 559 7.440 -4.719 -4.035 1.00 0.00 H new ATOM 0 HG3 GLN A 559 6.041 -4.388 -5.037 1.00 0.00 H new ATOM 0 HE21 GLN A 559 8.756 -5.457 -6.912 1.00 0.00 H new ATOM 0 HE22 GLN A 559 8.250 -7.142 -7.078 1.00 0.00 H new ATOM 1024 N SER A 560 7.805 -0.686 -7.244 1.00 0.00 N ATOM 1025 CA SER A 560 8.515 0.323 -8.027 1.00 0.00 C ATOM 1026 C SER A 560 8.587 1.650 -7.270 1.00 0.00 C ATOM 1027 O SER A 560 9.665 2.227 -7.126 1.00 0.00 O ATOM 1028 CB SER A 560 7.808 0.536 -9.365 1.00 0.00 C ATOM 1029 OG SER A 560 7.861 -0.666 -10.121 1.00 0.00 O ATOM 0 H SER A 560 6.901 -0.964 -7.627 1.00 0.00 H new ATOM 0 HA SER A 560 9.530 -0.033 -8.202 1.00 0.00 H new ATOM 0 HB2 SER A 560 6.771 0.829 -9.199 1.00 0.00 H new ATOM 0 HB3 SER A 560 8.284 1.347 -9.916 1.00 0.00 H new ATOM 0 HG SER A 560 6.956 -0.918 -10.399 1.00 0.00 H new ATOM 1035 N TYR A 561 7.443 2.141 -6.800 1.00 0.00 N ATOM 1036 CA TYR A 561 7.416 3.414 -6.078 1.00 0.00 C ATOM 1037 C TYR A 561 8.540 3.470 -5.043 1.00 0.00 C ATOM 1038 O TYR A 561 8.865 4.542 -4.531 1.00 0.00 O ATOM 1039 CB TYR A 561 6.059 3.593 -5.365 1.00 0.00 C ATOM 1040 CG TYR A 561 5.040 4.213 -6.302 1.00 0.00 C ATOM 1041 CD1 TYR A 561 5.259 5.492 -6.831 1.00 0.00 C ATOM 1042 CD2 TYR A 561 3.871 3.513 -6.631 1.00 0.00 C ATOM 1043 CE1 TYR A 561 4.314 6.066 -7.688 1.00 0.00 C ATOM 1044 CE2 TYR A 561 2.928 4.087 -7.486 1.00 0.00 C ATOM 1045 CZ TYR A 561 3.148 5.364 -8.017 1.00 0.00 C ATOM 1046 OH TYR A 561 2.216 5.931 -8.860 1.00 0.00 O ATOM 0 H TYR A 561 6.535 1.687 -6.902 1.00 0.00 H new ATOM 0 HA TYR A 561 7.557 4.217 -6.801 1.00 0.00 H new ATOM 0 HB2 TYR A 561 5.697 2.627 -5.013 1.00 0.00 H new ATOM 0 HB3 TYR A 561 6.185 4.225 -4.486 1.00 0.00 H new ATOM 0 HD1 TYR A 561 6.158 6.035 -6.577 1.00 0.00 H new ATOM 0 HD2 TYR A 561 3.699 2.528 -6.223 1.00 0.00 H new ATOM 0 HE1 TYR A 561 4.484 7.051 -8.096 1.00 0.00 H new ATOM 0 HE2 TYR A 561 2.028 3.546 -7.738 1.00 0.00 H new ATOM 0 HH TYR A 561 1.468 5.311 -8.985 1.00 0.00 H new ATOM 1056 N LEU A 562 9.131 2.320 -4.737 1.00 0.00 N ATOM 1057 CA LEU A 562 10.218 2.266 -3.760 1.00 0.00 C ATOM 1058 C LEU A 562 11.570 2.440 -4.447 1.00 0.00 C ATOM 1059 O LEU A 562 12.394 3.253 -4.027 1.00 0.00 O ATOM 1060 CB LEU A 562 10.190 0.929 -3.014 1.00 0.00 C ATOM 1061 CG LEU A 562 8.744 0.561 -2.663 1.00 0.00 C ATOM 1062 CD1 LEU A 562 8.748 -0.635 -1.713 1.00 0.00 C ATOM 1063 CD2 LEU A 562 8.054 1.747 -1.983 1.00 0.00 C ATOM 0 H LEU A 562 8.881 1.420 -5.146 1.00 0.00 H new ATOM 0 HA LEU A 562 10.078 3.080 -3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 562 10.634 0.148 -3.631 1.00 0.00 H new ATOM 0 HB3 LEU A 562 10.789 0.996 -2.106 1.00 0.00 H new ATOM 0 HG LEU A 562 8.204 0.309 -3.576 1.00 0.00 H new ATOM 0 HD11 LEU A 562 7.722 -0.902 -1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 562 9.234 -1.482 -2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 562 9.291 -0.376 -0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 562 7.027 1.478 -1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 562 8.590 2.005 -1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 562 8.053 2.603 -2.658 1.00 0.00 H new ATOM 1179 N LYS B 878 -1.126 -13.229 5.513 1.00 0.00 N ATOM 1180 CA LYS B 878 -1.636 -11.866 5.596 1.00 0.00 C ATOM 1181 C LYS B 878 -0.582 -10.949 6.206 1.00 0.00 C ATOM 1182 O LYS B 878 0.192 -11.363 7.070 1.00 0.00 O ATOM 1183 CB LYS B 878 -2.908 -11.827 6.441 1.00 0.00 C ATOM 1184 CG LYS B 878 -2.667 -12.536 7.779 1.00 0.00 C ATOM 1185 CD LYS B 878 -3.724 -12.091 8.790 1.00 0.00 C ATOM 1186 CE LYS B 878 -5.110 -12.538 8.320 1.00 0.00 C ATOM 1187 NZ LYS B 878 -5.588 -11.628 7.241 1.00 0.00 N ATOM 0 HA LYS B 878 -1.870 -11.520 4.589 1.00 0.00 H new ATOM 0 HB2 LYS B 878 -3.207 -10.794 6.616 1.00 0.00 H new ATOM 0 HB3 LYS B 878 -3.726 -12.310 5.906 1.00 0.00 H new ATOM 0 HG2 LYS B 878 -2.711 -13.617 7.643 1.00 0.00 H new ATOM 0 HG3 LYS B 878 -1.670 -12.302 8.152 1.00 0.00 H new ATOM 0 HD2 LYS B 878 -3.507 -12.518 9.769 1.00 0.00 H new ATOM 0 HD3 LYS B 878 -3.700 -11.007 8.902 1.00 0.00 H new ATOM 0 HE2 LYS B 878 -5.068 -13.563 7.953 1.00 0.00 H new ATOM 0 HE3 LYS B 878 -5.810 -12.527 9.156 1.00 0.00 H new ATOM 0 HZ1 LYS B 878 -6.575 -11.358 7.427 1.00 0.00 H new ATOM 0 HZ2 LYS B 878 -4.994 -10.775 7.218 1.00 0.00 H new ATOM 0 HZ3 LYS B 878 -5.529 -12.116 6.324 1.00 0.00 H new ATOM 1201 N LEU B 879 -0.547 -9.707 5.736 1.00 0.00 N ATOM 1202 CA LEU B 879 0.418 -8.722 6.214 1.00 0.00 C ATOM 1203 C LEU B 879 -0.271 -7.368 6.366 1.00 0.00 C ATOM 1204 O LEU B 879 -0.280 -6.574 5.430 1.00 0.00 O ATOM 1205 CB LEU B 879 1.541 -8.570 5.181 1.00 0.00 C ATOM 1206 CG LEU B 879 2.419 -9.843 5.114 1.00 0.00 C ATOM 1207 CD1 LEU B 879 3.005 -9.999 3.699 1.00 0.00 C ATOM 1208 CD2 LEU B 879 3.560 -9.743 6.135 1.00 0.00 C ATOM 0 H LEU B 879 -1.181 -9.356 5.018 1.00 0.00 H new ATOM 0 HA LEU B 879 0.822 -9.052 7.171 1.00 0.00 H new ATOM 0 HB2 LEU B 879 1.111 -8.370 4.200 1.00 0.00 H new ATOM 0 HB3 LEU B 879 2.161 -7.711 5.438 1.00 0.00 H new ATOM 0 HG LEU B 879 1.803 -10.712 5.347 1.00 0.00 H new ATOM 0 HD11 LEU B 879 3.622 -10.897 3.658 1.00 0.00 H new ATOM 0 HD12 LEU B 879 2.193 -10.083 2.976 1.00 0.00 H new ATOM 0 HD13 LEU B 879 3.615 -9.128 3.460 1.00 0.00 H new ATOM 0 HD21 LEU B 879 4.174 -10.642 6.083 1.00 0.00 H new ATOM 0 HD22 LEU B 879 4.174 -8.871 5.911 1.00 0.00 H new ATOM 0 HD23 LEU B 879 3.144 -9.646 7.138 1.00 0.00 H new ATOM 1220 N PRO B 880 -0.851 -7.075 7.498 1.00 0.00 N ATOM 1221 CA PRO B 880 -1.543 -5.777 7.696 1.00 0.00 C ATOM 1222 C PRO B 880 -0.547 -4.658 8.011 1.00 0.00 C ATOM 1223 O PRO B 880 0.297 -4.800 8.894 1.00 0.00 O ATOM 1224 CB PRO B 880 -2.481 -6.056 8.874 1.00 0.00 C ATOM 1225 CG PRO B 880 -1.780 -7.107 9.684 1.00 0.00 C ATOM 1226 CD PRO B 880 -0.923 -7.926 8.700 1.00 0.00 C ATOM 0 HA PRO B 880 -2.075 -5.434 6.809 1.00 0.00 H new ATOM 0 HB2 PRO B 880 -2.656 -5.155 9.462 1.00 0.00 H new ATOM 0 HB3 PRO B 880 -3.454 -6.406 8.530 1.00 0.00 H new ATOM 0 HG2 PRO B 880 -1.157 -6.651 10.453 1.00 0.00 H new ATOM 0 HG3 PRO B 880 -2.500 -7.746 10.195 1.00 0.00 H new ATOM 0 HD2 PRO B 880 0.068 -8.128 9.106 1.00 0.00 H new ATOM 0 HD3 PRO B 880 -1.380 -8.891 8.480 1.00 0.00 H new ATOM 1234 N VAL B 881 -0.672 -3.533 7.303 1.00 0.00 N ATOM 1235 CA VAL B 881 0.202 -2.375 7.526 1.00 0.00 C ATOM 1236 C VAL B 881 -0.651 -1.142 7.792 1.00 0.00 C ATOM 1237 O VAL B 881 -1.271 -0.601 6.879 1.00 0.00 O ATOM 1238 CB VAL B 881 1.072 -2.124 6.289 1.00 0.00 C ATOM 1239 CG1 VAL B 881 1.894 -0.850 6.493 1.00 0.00 C ATOM 1240 CG2 VAL B 881 2.021 -3.306 6.080 1.00 0.00 C ATOM 0 H VAL B 881 -1.369 -3.398 6.571 1.00 0.00 H new ATOM 0 HA VAL B 881 0.845 -2.577 8.383 1.00 0.00 H new ATOM 0 HB VAL B 881 0.430 -2.012 5.415 1.00 0.00 H new ATOM 0 HG11 VAL B 881 2.513 -0.671 5.614 1.00 0.00 H new ATOM 0 HG12 VAL B 881 1.223 -0.004 6.642 1.00 0.00 H new ATOM 0 HG13 VAL B 881 2.533 -0.965 7.369 1.00 0.00 H new ATOM 0 HG21 VAL B 881 2.639 -3.126 5.200 1.00 0.00 H new ATOM 0 HG22 VAL B 881 2.661 -3.418 6.955 1.00 0.00 H new ATOM 0 HG23 VAL B 881 1.441 -4.217 5.935 1.00 0.00 H new ATOM 1250 N SER B 882 -0.681 -0.703 9.048 1.00 0.00 N ATOM 1251 CA SER B 882 -1.473 0.468 9.433 1.00 0.00 C ATOM 1252 C SER B 882 -0.601 1.715 9.535 1.00 0.00 C ATOM 1253 O SER B 882 0.389 1.733 10.267 1.00 0.00 O ATOM 1254 CB SER B 882 -2.146 0.211 10.782 1.00 0.00 C ATOM 1255 OG SER B 882 -1.208 0.452 11.825 1.00 0.00 O ATOM 0 H SER B 882 -0.169 -1.137 9.816 1.00 0.00 H new ATOM 0 HA SER B 882 -2.227 0.636 8.664 1.00 0.00 H new ATOM 0 HB2 SER B 882 -3.013 0.861 10.899 1.00 0.00 H new ATOM 0 HB3 SER B 882 -2.508 -0.816 10.832 1.00 0.00 H new ATOM 0 HG SER B 882 -0.323 0.614 11.438 1.00 0.00 H new ATOM 1261 N ILE B 883 -0.980 2.763 8.802 1.00 0.00 N ATOM 1262 CA ILE B 883 -0.241 4.030 8.804 1.00 0.00 C ATOM 1263 C ILE B 883 -1.201 5.158 9.231 1.00 0.00 C ATOM 1264 O ILE B 883 -2.379 5.129 8.871 1.00 0.00 O ATOM 1265 CB ILE B 883 0.332 4.325 7.376 1.00 0.00 C ATOM 1266 CG1 ILE B 883 -0.144 3.263 6.372 1.00 0.00 C ATOM 1267 CG2 ILE B 883 1.874 4.328 7.386 1.00 0.00 C ATOM 1268 CD1 ILE B 883 0.124 3.749 4.942 1.00 0.00 C ATOM 0 H ILE B 883 -1.800 2.760 8.195 1.00 0.00 H new ATOM 0 HA ILE B 883 0.594 3.968 9.502 1.00 0.00 H new ATOM 0 HB ILE B 883 -0.032 5.309 7.079 1.00 0.00 H new ATOM 0 HG12 ILE B 883 0.375 2.321 6.550 1.00 0.00 H new ATOM 0 HG13 ILE B 883 -1.208 3.071 6.508 1.00 0.00 H new ATOM 0 HG21 ILE B 883 2.244 4.535 6.382 1.00 0.00 H new ATOM 0 HG22 ILE B 883 2.232 5.097 8.071 1.00 0.00 H new ATOM 0 HG23 ILE B 883 2.238 3.354 7.713 1.00 0.00 H new ATOM 0 HD11 ILE B 883 -0.214 2.994 4.232 1.00 0.00 H new ATOM 0 HD12 ILE B 883 -0.416 4.680 4.767 1.00 0.00 H new ATOM 0 HD13 ILE B 883 1.193 3.919 4.810 1.00 0.00 H new ATOM 1280 N PRO B 884 -0.743 6.140 9.978 1.00 0.00 N ATOM 1281 CA PRO B 884 -1.618 7.266 10.427 1.00 0.00 C ATOM 1282 C PRO B 884 -2.041 8.167 9.265 1.00 0.00 C ATOM 1283 O PRO B 884 -1.222 8.556 8.433 1.00 0.00 O ATOM 1284 CB PRO B 884 -0.747 8.026 11.442 1.00 0.00 C ATOM 1285 CG PRO B 884 0.660 7.717 11.046 1.00 0.00 C ATOM 1286 CD PRO B 884 0.637 6.298 10.478 1.00 0.00 C ATOM 0 HA PRO B 884 -2.556 6.913 10.856 1.00 0.00 H new ATOM 0 HB2 PRO B 884 -0.942 9.098 11.406 1.00 0.00 H new ATOM 0 HB3 PRO B 884 -0.952 7.699 12.462 1.00 0.00 H new ATOM 0 HG2 PRO B 884 1.021 8.428 10.303 1.00 0.00 H new ATOM 0 HG3 PRO B 884 1.330 7.783 11.903 1.00 0.00 H new ATOM 0 HD2 PRO B 884 1.368 6.175 9.679 1.00 0.00 H new ATOM 0 HD3 PRO B 884 0.873 5.557 11.242 1.00 0.00 H new ATOM 1294 N LEU B 885 -3.332 8.479 9.220 1.00 0.00 N ATOM 1295 CA LEU B 885 -3.885 9.320 8.162 1.00 0.00 C ATOM 1296 C LEU B 885 -3.258 10.706 8.168 1.00 0.00 C ATOM 1297 O LEU B 885 -3.414 11.470 7.215 1.00 0.00 O ATOM 1298 CB LEU B 885 -5.401 9.454 8.340 1.00 0.00 C ATOM 1299 CG LEU B 885 -6.067 8.071 8.308 1.00 0.00 C ATOM 1300 CD1 LEU B 885 -7.459 8.158 8.935 1.00 0.00 C ATOM 1301 CD2 LEU B 885 -6.208 7.576 6.862 1.00 0.00 C ATOM 0 H LEU B 885 -4.017 8.162 9.906 1.00 0.00 H new ATOM 0 HA LEU B 885 -3.661 8.843 7.208 1.00 0.00 H new ATOM 0 HB2 LEU B 885 -5.620 9.949 9.286 1.00 0.00 H new ATOM 0 HB3 LEU B 885 -5.813 10.081 7.549 1.00 0.00 H new ATOM 0 HG LEU B 885 -5.444 7.374 8.869 1.00 0.00 H new ATOM 0 HD11 LEU B 885 -7.931 7.176 8.912 1.00 0.00 H new ATOM 0 HD12 LEU B 885 -7.372 8.494 9.968 1.00 0.00 H new ATOM 0 HD13 LEU B 885 -8.068 8.866 8.373 1.00 0.00 H new ATOM 0 HD21 LEU B 885 -6.682 6.594 6.858 1.00 0.00 H new ATOM 0 HD22 LEU B 885 -6.821 8.277 6.296 1.00 0.00 H new ATOM 0 HD23 LEU B 885 -5.221 7.504 6.404 1.00 0.00 H new ATOM 1313 N ALA B 886 -2.537 11.026 9.234 1.00 0.00 N ATOM 1314 CA ALA B 886 -1.881 12.322 9.329 1.00 0.00 C ATOM 1315 C ALA B 886 -0.677 12.366 8.390 1.00 0.00 C ATOM 1316 O ALA B 886 -0.238 13.439 7.978 1.00 0.00 O ATOM 1317 CB ALA B 886 -1.428 12.562 10.769 1.00 0.00 C ATOM 0 H ALA B 886 -2.393 10.413 10.037 1.00 0.00 H new ATOM 0 HA ALA B 886 -2.584 13.103 9.038 1.00 0.00 H new ATOM 0 HB1 ALA B 886 -0.937 13.533 10.839 1.00 0.00 H new ATOM 0 HB2 ALA B 886 -2.294 12.545 11.431 1.00 0.00 H new ATOM 0 HB3 ALA B 886 -0.729 11.780 11.066 1.00 0.00 H new ATOM 1323 N SER B 887 -0.140 11.190 8.070 1.00 0.00 N ATOM 1324 CA SER B 887 1.028 11.098 7.195 1.00 0.00 C ATOM 1325 C SER B 887 0.622 11.079 5.723 1.00 0.00 C ATOM 1326 O SER B 887 1.466 11.223 4.840 1.00 0.00 O ATOM 1327 CB SER B 887 1.814 9.827 7.515 1.00 0.00 C ATOM 1328 OG SER B 887 2.971 9.770 6.691 1.00 0.00 O ATOM 0 H SER B 887 -0.492 10.292 8.401 1.00 0.00 H new ATOM 0 HA SER B 887 1.648 11.977 7.371 1.00 0.00 H new ATOM 0 HB2 SER B 887 2.102 9.819 8.566 1.00 0.00 H new ATOM 0 HB3 SER B 887 1.191 8.948 7.348 1.00 0.00 H new ATOM 0 HG SER B 887 2.811 10.275 5.867 1.00 0.00 H new ATOM 1334 N VAL B 888 -0.672 10.897 5.459 1.00 0.00 N ATOM 1335 CA VAL B 888 -1.172 10.856 4.088 1.00 0.00 C ATOM 1336 C VAL B 888 -2.493 11.605 3.986 1.00 0.00 C ATOM 1337 O VAL B 888 -2.959 12.209 4.953 1.00 0.00 O ATOM 1338 CB VAL B 888 -1.372 9.402 3.646 1.00 0.00 C ATOM 1339 CG1 VAL B 888 -0.013 8.758 3.356 1.00 0.00 C ATOM 1340 CG2 VAL B 888 -2.077 8.625 4.761 1.00 0.00 C ATOM 0 H VAL B 888 -1.389 10.776 6.174 1.00 0.00 H new ATOM 0 HA VAL B 888 -0.440 11.334 3.437 1.00 0.00 H new ATOM 0 HB VAL B 888 -1.981 9.379 2.742 1.00 0.00 H new ATOM 0 HG11 VAL B 888 -0.160 7.725 3.042 1.00 0.00 H new ATOM 0 HG12 VAL B 888 0.489 9.311 2.562 1.00 0.00 H new ATOM 0 HG13 VAL B 888 0.600 8.780 4.257 1.00 0.00 H new ATOM 0 HG21 VAL B 888 -2.220 7.591 4.449 1.00 0.00 H new ATOM 0 HG22 VAL B 888 -1.467 8.650 5.664 1.00 0.00 H new ATOM 0 HG23 VAL B 888 -3.046 9.080 4.965 1.00 0.00 H new ATOM 1350 N VAL B 889 -3.087 11.555 2.801 1.00 0.00 N ATOM 1351 CA VAL B 889 -4.361 12.222 2.542 1.00 0.00 C ATOM 1352 C VAL B 889 -5.243 11.333 1.674 1.00 0.00 C ATOM 1353 O VAL B 889 -4.901 11.023 0.533 1.00 0.00 O ATOM 1354 CB VAL B 889 -4.114 13.553 1.834 1.00 0.00 C ATOM 1355 CG1 VAL B 889 -5.379 14.410 1.888 1.00 0.00 C ATOM 1356 CG2 VAL B 889 -2.969 14.290 2.534 1.00 0.00 C ATOM 0 H VAL B 889 -2.705 11.056 1.997 1.00 0.00 H new ATOM 0 HA VAL B 889 -4.865 12.409 3.490 1.00 0.00 H new ATOM 0 HB VAL B 889 -3.851 13.367 0.793 1.00 0.00 H new ATOM 0 HG11 VAL B 889 -5.198 15.358 1.382 1.00 0.00 H new ATOM 0 HG12 VAL B 889 -6.196 13.885 1.393 1.00 0.00 H new ATOM 0 HG13 VAL B 889 -5.646 14.599 2.928 1.00 0.00 H new ATOM 0 HG21 VAL B 889 -2.788 15.241 2.033 1.00 0.00 H new ATOM 0 HG22 VAL B 889 -3.237 14.473 3.575 1.00 0.00 H new ATOM 0 HG23 VAL B 889 -2.066 13.681 2.494 1.00 0.00 H new ATOM 1366 N LEU B 890 -6.381 10.930 2.225 1.00 0.00 N ATOM 1367 CA LEU B 890 -7.314 10.078 1.500 1.00 0.00 C ATOM 1368 C LEU B 890 -8.173 10.929 0.557 1.00 0.00 C ATOM 1369 O LEU B 890 -8.437 12.096 0.841 1.00 0.00 O ATOM 1370 CB LEU B 890 -8.207 9.337 2.499 1.00 0.00 C ATOM 1371 CG LEU B 890 -7.444 8.163 3.142 1.00 0.00 C ATOM 1372 CD1 LEU B 890 -7.292 6.997 2.151 1.00 0.00 C ATOM 1373 CD2 LEU B 890 -6.050 8.617 3.601 1.00 0.00 C ATOM 0 H LEU B 890 -6.679 11.179 3.168 1.00 0.00 H new ATOM 0 HA LEU B 890 -6.757 9.352 0.908 1.00 0.00 H new ATOM 0 HB2 LEU B 890 -8.545 10.026 3.273 1.00 0.00 H new ATOM 0 HB3 LEU B 890 -9.098 8.965 1.993 1.00 0.00 H new ATOM 0 HG LEU B 890 -8.021 7.825 4.003 1.00 0.00 H new ATOM 0 HD11 LEU B 890 -6.750 6.181 2.629 1.00 0.00 H new ATOM 0 HD12 LEU B 890 -8.278 6.648 1.846 1.00 0.00 H new ATOM 0 HD13 LEU B 890 -6.740 7.334 1.274 1.00 0.00 H new ATOM 0 HD21 LEU B 890 -5.524 7.776 4.053 1.00 0.00 H new ATOM 0 HD22 LEU B 890 -5.485 8.980 2.743 1.00 0.00 H new ATOM 0 HD23 LEU B 890 -6.151 9.418 4.334 1.00 0.00 H new