USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 585 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 545 TYR OH : rot -9:sc= -1.34! USER MOD Set 1.2: A 603 CYS SG : rot -76:sc= -2.13! USER MOD Single : A 537 SER OG : rot -34:sc= 0.335 USER MOD Single : A 539 LYS NZ :NH3+ -172:sc= 1.24 (180deg=0.986) USER MOD Single : A 540 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.9!) USER MOD Single : A 544 SER OG : rot 180:sc= 0 USER MOD Single : A 548 ASN : amide:sc= -0.0722 K(o=-0.072,f=-1.4!) USER MOD Single : A 549 MET CE :methyl 133:sc= -1.39 (180deg=-3.74!) USER MOD Single : A 550 LYS NZ :NH3+ 180:sc= -0.0127 (180deg=-0.0127) USER MOD Single : A 551 SER OG : rot 76:sc= 1.23 USER MOD Single : A 559 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 561 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 563 SER OG : rot 180:sc= 0 USER MOD Single : A 567 LYS NZ :NH3+ -173:sc= 0.0593 (180deg=0.048) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 569 LYS NZ :NH3+ 145:sc= -1.66! (180deg=-3.71!) USER MOD Single : A 573 LYS NZ :NH3+ -147:sc= -0.978 (180deg=-2.71!) USER MOD Single : A 574 CYS SG : rot 62:sc= -4.05! USER MOD Single : A 575 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.66) USER MOD Single : A 579 SER OG : rot 180:sc= 0 USER MOD Single : A 584 ASN : amide:sc= -10.1! C(o=-10!,f=-8.7!) USER MOD Single : A 585 THR OG1 : rot -74:sc= 0.613 USER MOD Single : A 589 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 594 HIS : no HD1:sc= -0.137 X(o=-0.14,f=0.022) USER MOD Single : A 595 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 597 LYS NZ :NH3+ 153:sc= 1.17 (180deg=1.06) USER MOD Single : A 601 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 604 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 608 SER OG : rot 180:sc= 0.0193 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 537 -13.308 0.438 -10.085 1.00 0.00 N ATOM 2 CA SER A 537 -12.811 -0.692 -9.276 1.00 0.00 C ATOM 3 C SER A 537 -11.762 -0.220 -8.265 1.00 0.00 C ATOM 4 O SER A 537 -10.569 -0.494 -8.411 1.00 0.00 O ATOM 5 CB SER A 537 -12.238 -1.770 -10.204 1.00 0.00 C ATOM 6 OG SER A 537 -11.473 -1.194 -11.250 1.00 0.00 O ATOM 0 HA SER A 537 -13.640 -1.118 -8.710 1.00 0.00 H new ATOM 0 HB2 SER A 537 -11.615 -2.455 -9.629 1.00 0.00 H new ATOM 0 HB3 SER A 537 -13.052 -2.359 -10.627 1.00 0.00 H new ATOM 0 HG SER A 537 -11.870 -0.338 -11.513 1.00 0.00 H new ATOM 12 N ALA A 538 -12.219 0.483 -7.227 1.00 0.00 N ATOM 13 CA ALA A 538 -11.319 1.019 -6.209 1.00 0.00 C ATOM 14 C ALA A 538 -10.746 -0.098 -5.343 1.00 0.00 C ATOM 15 O ALA A 538 -9.645 0.028 -4.818 1.00 0.00 O ATOM 16 CB ALA A 538 -12.026 2.053 -5.339 1.00 0.00 C ATOM 0 H ALA A 538 -13.205 0.693 -7.071 1.00 0.00 H new ATOM 0 HA ALA A 538 -10.495 1.512 -6.725 1.00 0.00 H new ATOM 0 HB1 ALA A 538 -11.332 2.434 -4.590 1.00 0.00 H new ATOM 0 HB2 ALA A 538 -12.375 2.876 -5.963 1.00 0.00 H new ATOM 0 HB3 ALA A 538 -12.877 1.589 -4.841 1.00 0.00 H new ATOM 22 N LYS A 539 -11.487 -1.191 -5.204 1.00 0.00 N ATOM 23 CA LYS A 539 -11.010 -2.342 -4.446 1.00 0.00 C ATOM 24 C LYS A 539 -9.817 -2.956 -5.169 1.00 0.00 C ATOM 25 O LYS A 539 -8.790 -3.258 -4.561 1.00 0.00 O ATOM 26 CB LYS A 539 -12.139 -3.372 -4.282 1.00 0.00 C ATOM 27 CG LYS A 539 -11.899 -4.430 -3.212 1.00 0.00 C ATOM 28 CD LYS A 539 -10.995 -5.540 -3.705 1.00 0.00 C ATOM 29 CE LYS A 539 -10.893 -6.665 -2.688 1.00 0.00 C ATOM 30 NZ LYS A 539 -10.034 -7.777 -3.169 1.00 0.00 N ATOM 0 H LYS A 539 -12.418 -1.305 -5.605 1.00 0.00 H new ATOM 0 HA LYS A 539 -10.697 -2.024 -3.451 1.00 0.00 H new ATOM 0 HB2 LYS A 539 -13.062 -2.842 -4.046 1.00 0.00 H new ATOM 0 HB3 LYS A 539 -12.294 -3.873 -5.238 1.00 0.00 H new ATOM 0 HG2 LYS A 539 -11.454 -3.963 -2.334 1.00 0.00 H new ATOM 0 HG3 LYS A 539 -12.854 -4.852 -2.899 1.00 0.00 H new ATOM 0 HD2 LYS A 539 -11.379 -5.932 -4.647 1.00 0.00 H new ATOM 0 HD3 LYS A 539 -10.002 -5.139 -3.908 1.00 0.00 H new ATOM 0 HE2 LYS A 539 -10.489 -6.273 -1.754 1.00 0.00 H new ATOM 0 HE3 LYS A 539 -11.890 -7.047 -2.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 539 -10.100 -8.577 -2.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 539 -10.353 -8.079 -4.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 539 -9.047 -7.454 -3.224 1.00 0.00 H new ATOM 44 N ASN A 540 -9.961 -3.109 -6.481 1.00 0.00 N ATOM 45 CA ASN A 540 -8.889 -3.625 -7.321 1.00 0.00 C ATOM 46 C ASN A 540 -7.710 -2.664 -7.316 1.00 0.00 C ATOM 47 O ASN A 540 -6.563 -3.074 -7.141 1.00 0.00 O ATOM 48 CB ASN A 540 -9.369 -3.827 -8.759 1.00 0.00 C ATOM 49 CG ASN A 540 -10.431 -4.894 -8.910 1.00 0.00 C ATOM 50 OD1 ASN A 540 -11.175 -5.212 -7.980 1.00 0.00 O ATOM 51 ND2 ASN A 540 -10.529 -5.426 -10.108 1.00 0.00 N ATOM 0 H ASN A 540 -10.816 -2.881 -6.987 1.00 0.00 H new ATOM 0 HA ASN A 540 -8.579 -4.588 -6.915 1.00 0.00 H new ATOM 0 HB2 ASN A 540 -9.761 -2.883 -9.136 1.00 0.00 H new ATOM 0 HB3 ASN A 540 -8.514 -4.089 -9.383 1.00 0.00 H new ATOM 0 HD21 ASN A 540 -11.242 -6.131 -10.296 1.00 0.00 H new ATOM 0 HD22 ASN A 540 -9.892 -5.134 -10.849 1.00 0.00 H new ATOM 58 N ALA A 541 -8.009 -1.377 -7.496 1.00 0.00 N ATOM 59 CA ALA A 541 -6.987 -0.338 -7.500 1.00 0.00 C ATOM 60 C ALA A 541 -6.208 -0.335 -6.194 1.00 0.00 C ATOM 61 O ALA A 541 -4.983 -0.326 -6.199 1.00 0.00 O ATOM 62 CB ALA A 541 -7.613 1.029 -7.736 1.00 0.00 C ATOM 0 H ALA A 541 -8.957 -1.031 -7.641 1.00 0.00 H new ATOM 0 HA ALA A 541 -6.295 -0.554 -8.314 1.00 0.00 H new ATOM 0 HB1 ALA A 541 -6.834 1.791 -7.735 1.00 0.00 H new ATOM 0 HB2 ALA A 541 -8.124 1.034 -8.699 1.00 0.00 H new ATOM 0 HB3 ALA A 541 -8.330 1.243 -6.943 1.00 0.00 H new ATOM 68 N LEU A 542 -6.930 -0.353 -5.080 1.00 0.00 N ATOM 69 CA LEU A 542 -6.318 -0.303 -3.757 1.00 0.00 C ATOM 70 C LEU A 542 -5.410 -1.492 -3.516 1.00 0.00 C ATOM 71 O LEU A 542 -4.273 -1.336 -3.069 1.00 0.00 O ATOM 72 CB LEU A 542 -7.401 -0.273 -2.683 1.00 0.00 C ATOM 73 CG LEU A 542 -7.437 0.994 -1.844 1.00 0.00 C ATOM 74 CD1 LEU A 542 -6.162 1.131 -1.026 1.00 0.00 C ATOM 75 CD2 LEU A 542 -7.612 2.194 -2.745 1.00 0.00 C ATOM 0 H LEU A 542 -7.949 -0.402 -5.067 1.00 0.00 H new ATOM 0 HA LEU A 542 -5.716 0.604 -3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 542 -8.371 -0.401 -3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 542 -7.258 -1.126 -2.020 1.00 0.00 H new ATOM 0 HG LEU A 542 -8.279 0.937 -1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 542 -6.207 2.044 -0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 542 -6.061 0.272 -0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 542 -5.303 1.176 -1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 542 -7.638 3.101 -2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 542 -6.779 2.248 -3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 542 -8.546 2.100 -3.299 1.00 0.00 H new ATOM 87 N GLU A 543 -5.912 -2.673 -3.826 1.00 0.00 N ATOM 88 CA GLU A 543 -5.186 -3.889 -3.573 1.00 0.00 C ATOM 89 C GLU A 543 -3.969 -3.979 -4.477 1.00 0.00 C ATOM 90 O GLU A 543 -2.874 -4.286 -4.019 1.00 0.00 O ATOM 91 CB GLU A 543 -6.099 -5.084 -3.787 1.00 0.00 C ATOM 92 CG GLU A 543 -5.673 -6.303 -3.003 1.00 0.00 C ATOM 93 CD GLU A 543 -6.335 -7.562 -3.510 1.00 0.00 C ATOM 94 OE1 GLU A 543 -5.807 -8.180 -4.457 1.00 0.00 O ATOM 95 OE2 GLU A 543 -7.406 -7.926 -2.981 1.00 0.00 O ATOM 0 H GLU A 543 -6.827 -2.809 -4.256 1.00 0.00 H new ATOM 0 HA GLU A 543 -4.841 -3.888 -2.539 1.00 0.00 H new ATOM 0 HB2 GLU A 543 -7.115 -4.813 -3.502 1.00 0.00 H new ATOM 0 HB3 GLU A 543 -6.121 -5.331 -4.848 1.00 0.00 H new ATOM 0 HG2 GLU A 543 -4.590 -6.413 -3.064 1.00 0.00 H new ATOM 0 HG3 GLU A 543 -5.920 -6.162 -1.951 1.00 0.00 H new ATOM 102 N SER A 544 -4.161 -3.689 -5.757 1.00 0.00 N ATOM 103 CA SER A 544 -3.063 -3.720 -6.707 1.00 0.00 C ATOM 104 C SER A 544 -2.046 -2.635 -6.369 1.00 0.00 C ATOM 105 O SER A 544 -0.846 -2.843 -6.501 1.00 0.00 O ATOM 106 CB SER A 544 -3.582 -3.547 -8.137 1.00 0.00 C ATOM 107 OG SER A 544 -2.556 -3.778 -9.087 1.00 0.00 O ATOM 0 H SER A 544 -5.063 -3.431 -6.158 1.00 0.00 H new ATOM 0 HA SER A 544 -2.572 -4.691 -6.640 1.00 0.00 H new ATOM 0 HB2 SER A 544 -4.406 -4.238 -8.313 1.00 0.00 H new ATOM 0 HB3 SER A 544 -3.978 -2.539 -8.263 1.00 0.00 H new ATOM 0 HG SER A 544 -2.915 -3.662 -9.991 1.00 0.00 H new ATOM 113 N TYR A 545 -2.535 -1.482 -5.918 1.00 0.00 N ATOM 114 CA TYR A 545 -1.665 -0.387 -5.495 1.00 0.00 C ATOM 115 C TYR A 545 -0.811 -0.839 -4.318 1.00 0.00 C ATOM 116 O TYR A 545 0.410 -0.678 -4.325 1.00 0.00 O ATOM 117 CB TYR A 545 -2.508 0.836 -5.091 1.00 0.00 C ATOM 118 CG TYR A 545 -1.725 2.123 -4.940 1.00 0.00 C ATOM 119 CD1 TYR A 545 -0.651 2.213 -4.069 1.00 0.00 C ATOM 120 CD2 TYR A 545 -2.065 3.247 -5.676 1.00 0.00 C ATOM 121 CE1 TYR A 545 0.069 3.377 -3.942 1.00 0.00 C ATOM 122 CE2 TYR A 545 -1.350 4.423 -5.551 1.00 0.00 C ATOM 123 CZ TYR A 545 -0.281 4.478 -4.682 1.00 0.00 C ATOM 124 OH TYR A 545 0.451 5.634 -4.560 1.00 0.00 O ATOM 0 H TYR A 545 -3.532 -1.282 -5.836 1.00 0.00 H new ATOM 0 HA TYR A 545 -1.017 -0.107 -6.325 1.00 0.00 H new ATOM 0 HB2 TYR A 545 -3.287 0.986 -5.839 1.00 0.00 H new ATOM 0 HB3 TYR A 545 -3.009 0.619 -4.148 1.00 0.00 H new ATOM 0 HD1 TYR A 545 -0.374 1.352 -3.479 1.00 0.00 H new ATOM 0 HD2 TYR A 545 -2.902 3.203 -6.358 1.00 0.00 H new ATOM 0 HE1 TYR A 545 0.907 3.425 -3.262 1.00 0.00 H new ATOM 0 HE2 TYR A 545 -1.626 5.292 -6.129 1.00 0.00 H new ATOM 0 HH TYR A 545 1.082 5.544 -3.816 1.00 0.00 H new ATOM 134 N ALA A 546 -1.460 -1.422 -3.323 1.00 0.00 N ATOM 135 CA ALA A 546 -0.770 -1.894 -2.136 1.00 0.00 C ATOM 136 C ALA A 546 0.173 -3.043 -2.483 1.00 0.00 C ATOM 137 O ALA A 546 1.294 -3.113 -1.982 1.00 0.00 O ATOM 138 CB ALA A 546 -1.780 -2.303 -1.072 1.00 0.00 C ATOM 0 H ALA A 546 -2.468 -1.580 -3.315 1.00 0.00 H new ATOM 0 HA ALA A 546 -0.164 -1.083 -1.733 1.00 0.00 H new ATOM 0 HB1 ALA A 546 -1.252 -2.656 -0.186 1.00 0.00 H new ATOM 0 HB2 ALA A 546 -2.399 -1.445 -0.809 1.00 0.00 H new ATOM 0 HB3 ALA A 546 -2.413 -3.102 -1.459 1.00 0.00 H new ATOM 144 N PHE A 547 -0.283 -3.933 -3.357 1.00 0.00 N ATOM 145 CA PHE A 547 0.567 -4.998 -3.877 1.00 0.00 C ATOM 146 C PHE A 547 1.782 -4.405 -4.583 1.00 0.00 C ATOM 147 O PHE A 547 2.905 -4.862 -4.392 1.00 0.00 O ATOM 148 CB PHE A 547 -0.204 -5.881 -4.858 1.00 0.00 C ATOM 149 CG PHE A 547 -0.777 -7.137 -4.263 1.00 0.00 C ATOM 150 CD1 PHE A 547 -1.852 -7.090 -3.396 1.00 0.00 C ATOM 151 CD2 PHE A 547 -0.251 -8.372 -4.602 1.00 0.00 C ATOM 152 CE1 PHE A 547 -2.388 -8.250 -2.869 1.00 0.00 C ATOM 153 CE2 PHE A 547 -0.780 -9.534 -4.077 1.00 0.00 C ATOM 154 CZ PHE A 547 -1.851 -9.473 -3.211 1.00 0.00 C ATOM 0 H PHE A 547 -1.236 -3.938 -3.720 1.00 0.00 H new ATOM 0 HA PHE A 547 0.894 -5.608 -3.035 1.00 0.00 H new ATOM 0 HB2 PHE A 547 -1.017 -5.297 -5.289 1.00 0.00 H new ATOM 0 HB3 PHE A 547 0.461 -6.155 -5.677 1.00 0.00 H new ATOM 0 HD1 PHE A 547 -2.279 -6.135 -3.127 1.00 0.00 H new ATOM 0 HD2 PHE A 547 0.583 -8.427 -5.286 1.00 0.00 H new ATOM 0 HE1 PHE A 547 -3.226 -8.198 -2.190 1.00 0.00 H new ATOM 0 HE2 PHE A 547 -0.355 -10.490 -4.344 1.00 0.00 H new ATOM 0 HZ PHE A 547 -2.268 -10.381 -2.801 1.00 0.00 H new ATOM 164 N ASN A 548 1.536 -3.380 -5.392 1.00 0.00 N ATOM 165 CA ASN A 548 2.587 -2.708 -6.151 1.00 0.00 C ATOM 166 C ASN A 548 3.629 -2.074 -5.239 1.00 0.00 C ATOM 167 O ASN A 548 4.823 -2.246 -5.457 1.00 0.00 O ATOM 168 CB ASN A 548 1.989 -1.642 -7.081 1.00 0.00 C ATOM 169 CG ASN A 548 1.493 -2.215 -8.398 1.00 0.00 C ATOM 170 OD1 ASN A 548 2.028 -3.203 -8.908 1.00 0.00 O ATOM 171 ND2 ASN A 548 0.475 -1.589 -8.968 1.00 0.00 N ATOM 0 H ASN A 548 0.605 -2.992 -5.541 1.00 0.00 H new ATOM 0 HA ASN A 548 3.085 -3.469 -6.752 1.00 0.00 H new ATOM 0 HB2 ASN A 548 1.162 -1.146 -6.572 1.00 0.00 H new ATOM 0 HB3 ASN A 548 2.742 -0.880 -7.283 1.00 0.00 H new ATOM 0 HD21 ASN A 548 0.107 -1.921 -9.860 1.00 0.00 H new ATOM 0 HD22 ASN A 548 0.059 -0.775 -8.516 1.00 0.00 H new ATOM 178 N MET A 549 3.185 -1.347 -4.218 1.00 0.00 N ATOM 179 CA MET A 549 4.114 -0.700 -3.295 1.00 0.00 C ATOM 180 C MET A 549 4.912 -1.743 -2.528 1.00 0.00 C ATOM 181 O MET A 549 6.128 -1.627 -2.363 1.00 0.00 O ATOM 182 CB MET A 549 3.371 0.199 -2.324 1.00 0.00 C ATOM 183 CG MET A 549 2.698 1.391 -2.980 1.00 0.00 C ATOM 184 SD MET A 549 3.818 2.445 -3.925 1.00 0.00 S ATOM 185 CE MET A 549 3.824 1.612 -5.506 1.00 0.00 C ATOM 0 H MET A 549 2.199 -1.192 -4.009 1.00 0.00 H new ATOM 0 HA MET A 549 4.800 -0.088 -3.880 1.00 0.00 H new ATOM 0 HB2 MET A 549 2.616 -0.391 -1.803 1.00 0.00 H new ATOM 0 HB3 MET A 549 4.071 0.559 -1.570 1.00 0.00 H new ATOM 0 HG2 MET A 549 1.911 1.031 -3.642 1.00 0.00 H new ATOM 0 HG3 MET A 549 2.216 1.992 -2.209 1.00 0.00 H new ATOM 0 HE1 MET A 549 3.685 2.343 -6.303 1.00 0.00 H new ATOM 0 HE2 MET A 549 4.777 1.101 -5.644 1.00 0.00 H new ATOM 0 HE3 MET A 549 3.014 0.884 -5.537 1.00 0.00 H new ATOM 195 N LYS A 550 4.204 -2.766 -2.076 1.00 0.00 N ATOM 196 CA LYS A 550 4.805 -3.891 -1.377 1.00 0.00 C ATOM 197 C LYS A 550 5.838 -4.591 -2.260 1.00 0.00 C ATOM 198 O LYS A 550 6.947 -4.884 -1.821 1.00 0.00 O ATOM 199 CB LYS A 550 3.682 -4.841 -0.931 1.00 0.00 C ATOM 200 CG LYS A 550 4.105 -6.239 -0.532 1.00 0.00 C ATOM 201 CD LYS A 550 2.997 -6.892 0.275 1.00 0.00 C ATOM 202 CE LYS A 550 3.033 -6.449 1.731 1.00 0.00 C ATOM 203 NZ LYS A 550 3.725 -7.440 2.597 1.00 0.00 N ATOM 0 H LYS A 550 3.192 -2.840 -2.184 1.00 0.00 H new ATOM 0 HA LYS A 550 5.343 -3.544 -0.495 1.00 0.00 H new ATOM 0 HB2 LYS A 550 3.164 -4.386 -0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 550 2.959 -4.921 -1.743 1.00 0.00 H new ATOM 0 HG2 LYS A 550 4.321 -6.833 -1.420 1.00 0.00 H new ATOM 0 HG3 LYS A 550 5.022 -6.199 0.055 1.00 0.00 H new ATOM 0 HD2 LYS A 550 2.030 -6.638 -0.160 1.00 0.00 H new ATOM 0 HD3 LYS A 550 3.096 -7.976 0.221 1.00 0.00 H new ATOM 0 HE2 LYS A 550 3.539 -5.487 1.805 1.00 0.00 H new ATOM 0 HE3 LYS A 550 2.015 -6.302 2.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 550 3.728 -7.100 3.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 550 3.227 -8.352 2.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 550 4.705 -7.562 2.270 1.00 0.00 H new ATOM 217 N SER A 551 5.475 -4.826 -3.510 1.00 0.00 N ATOM 218 CA SER A 551 6.372 -5.430 -4.474 1.00 0.00 C ATOM 219 C SER A 551 7.547 -4.510 -4.806 1.00 0.00 C ATOM 220 O SER A 551 8.644 -4.983 -5.064 1.00 0.00 O ATOM 221 CB SER A 551 5.600 -5.772 -5.740 1.00 0.00 C ATOM 222 OG SER A 551 4.556 -6.694 -5.472 1.00 0.00 O ATOM 0 H SER A 551 4.552 -4.603 -3.882 1.00 0.00 H new ATOM 0 HA SER A 551 6.782 -6.339 -4.035 1.00 0.00 H new ATOM 0 HB2 SER A 551 5.183 -4.862 -6.172 1.00 0.00 H new ATOM 0 HB3 SER A 551 6.280 -6.194 -6.481 1.00 0.00 H new ATOM 0 HG SER A 551 3.812 -6.228 -5.037 1.00 0.00 H new ATOM 228 N ALA A 552 7.300 -3.203 -4.832 1.00 0.00 N ATOM 229 CA ALA A 552 8.325 -2.229 -5.212 1.00 0.00 C ATOM 230 C ALA A 552 9.477 -2.183 -4.210 1.00 0.00 C ATOM 231 O ALA A 552 10.638 -2.191 -4.596 1.00 0.00 O ATOM 232 CB ALA A 552 7.711 -0.846 -5.373 1.00 0.00 C ATOM 0 H ALA A 552 6.398 -2.791 -4.594 1.00 0.00 H new ATOM 0 HA ALA A 552 8.737 -2.552 -6.168 1.00 0.00 H new ATOM 0 HB1 ALA A 552 8.487 -0.134 -5.656 1.00 0.00 H new ATOM 0 HB2 ALA A 552 6.946 -0.876 -6.149 1.00 0.00 H new ATOM 0 HB3 ALA A 552 7.260 -0.536 -4.430 1.00 0.00 H new ATOM 238 N VAL A 553 9.161 -2.147 -2.927 1.00 0.00 N ATOM 239 CA VAL A 553 10.195 -2.083 -1.895 1.00 0.00 C ATOM 240 C VAL A 553 10.879 -3.428 -1.719 1.00 0.00 C ATOM 241 O VAL A 553 12.072 -3.512 -1.435 1.00 0.00 O ATOM 242 CB VAL A 553 9.610 -1.634 -0.559 1.00 0.00 C ATOM 243 CG1 VAL A 553 9.144 -0.209 -0.700 1.00 0.00 C ATOM 244 CG2 VAL A 553 8.472 -2.544 -0.121 1.00 0.00 C ATOM 0 H VAL A 553 8.205 -2.161 -2.571 1.00 0.00 H new ATOM 0 HA VAL A 553 10.933 -1.351 -2.224 1.00 0.00 H new ATOM 0 HB VAL A 553 10.375 -1.695 0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 553 8.722 0.131 0.246 1.00 0.00 H new ATOM 0 HG12 VAL A 553 9.989 0.425 -0.969 1.00 0.00 H new ATOM 0 HG13 VAL A 553 8.384 -0.150 -1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 553 8.076 -2.198 0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 553 7.681 -2.524 -0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 553 8.842 -3.563 -0.012 1.00 0.00 H new ATOM 254 N GLU A 554 10.096 -4.476 -1.885 1.00 0.00 N ATOM 255 CA GLU A 554 10.585 -5.833 -1.783 1.00 0.00 C ATOM 256 C GLU A 554 11.147 -6.326 -3.121 1.00 0.00 C ATOM 257 O GLU A 554 11.562 -7.480 -3.250 1.00 0.00 O ATOM 258 CB GLU A 554 9.442 -6.713 -1.295 1.00 0.00 C ATOM 259 CG GLU A 554 9.592 -7.129 0.154 1.00 0.00 C ATOM 260 CD GLU A 554 10.613 -8.236 0.350 1.00 0.00 C ATOM 261 OE1 GLU A 554 11.813 -7.925 0.520 1.00 0.00 O ATOM 262 OE2 GLU A 554 10.227 -9.423 0.340 1.00 0.00 O ATOM 0 H GLU A 554 9.100 -4.408 -2.095 1.00 0.00 H new ATOM 0 HA GLU A 554 11.410 -5.877 -1.072 1.00 0.00 H new ATOM 0 HB2 GLU A 554 8.501 -6.178 -1.418 1.00 0.00 H new ATOM 0 HB3 GLU A 554 9.385 -7.605 -1.919 1.00 0.00 H new ATOM 0 HG2 GLU A 554 9.885 -6.262 0.747 1.00 0.00 H new ATOM 0 HG3 GLU A 554 8.626 -7.462 0.533 1.00 0.00 H new ATOM 269 N ASP A 555 11.163 -5.434 -4.104 1.00 0.00 N ATOM 270 CA ASP A 555 11.687 -5.734 -5.438 1.00 0.00 C ATOM 271 C ASP A 555 13.193 -5.929 -5.394 1.00 0.00 C ATOM 272 O ASP A 555 13.895 -5.231 -4.676 1.00 0.00 O ATOM 273 CB ASP A 555 11.347 -4.597 -6.405 1.00 0.00 C ATOM 274 CG ASP A 555 11.909 -4.813 -7.795 1.00 0.00 C ATOM 275 OD1 ASP A 555 11.340 -5.617 -8.554 1.00 0.00 O ATOM 276 OD2 ASP A 555 12.930 -4.179 -8.126 1.00 0.00 O ATOM 0 H ASP A 555 10.814 -4.481 -4.002 1.00 0.00 H new ATOM 0 HA ASP A 555 11.223 -6.657 -5.785 1.00 0.00 H new ATOM 0 HB2 ASP A 555 10.264 -4.494 -6.469 1.00 0.00 H new ATOM 0 HB3 ASP A 555 11.733 -3.660 -6.005 1.00 0.00 H new ATOM 281 N GLU A 556 13.680 -6.881 -6.176 1.00 0.00 N ATOM 282 CA GLU A 556 15.097 -7.226 -6.188 1.00 0.00 C ATOM 283 C GLU A 556 15.962 -6.131 -6.811 1.00 0.00 C ATOM 284 O GLU A 556 17.187 -6.164 -6.695 1.00 0.00 O ATOM 285 CB GLU A 556 15.313 -8.536 -6.932 1.00 0.00 C ATOM 286 CG GLU A 556 14.635 -8.577 -8.290 1.00 0.00 C ATOM 287 CD GLU A 556 14.930 -9.849 -9.053 1.00 0.00 C ATOM 288 OE1 GLU A 556 14.601 -10.942 -8.551 1.00 0.00 O ATOM 289 OE2 GLU A 556 15.496 -9.763 -10.161 1.00 0.00 O ATOM 0 H GLU A 556 13.110 -7.434 -6.816 1.00 0.00 H new ATOM 0 HA GLU A 556 15.406 -7.334 -5.148 1.00 0.00 H new ATOM 0 HB2 GLU A 556 16.383 -8.699 -7.063 1.00 0.00 H new ATOM 0 HB3 GLU A 556 14.938 -9.358 -6.322 1.00 0.00 H new ATOM 0 HG2 GLU A 556 13.558 -8.480 -8.156 1.00 0.00 H new ATOM 0 HG3 GLU A 556 14.961 -7.721 -8.880 1.00 0.00 H new ATOM 296 N GLY A 557 15.336 -5.178 -7.476 1.00 0.00 N ATOM 297 CA GLY A 557 16.077 -4.082 -8.060 1.00 0.00 C ATOM 298 C GLY A 557 15.992 -2.833 -7.209 1.00 0.00 C ATOM 299 O GLY A 557 16.901 -2.007 -7.209 1.00 0.00 O ATOM 0 H GLY A 557 14.327 -5.142 -7.623 1.00 0.00 H new ATOM 0 HA2 GLY A 557 17.121 -4.371 -8.179 1.00 0.00 H new ATOM 0 HA3 GLY A 557 15.689 -3.871 -9.057 1.00 0.00 H new ATOM 303 N LEU A 558 14.899 -2.704 -6.475 1.00 0.00 N ATOM 304 CA LEU A 558 14.671 -1.545 -5.624 1.00 0.00 C ATOM 305 C LEU A 558 15.041 -1.832 -4.174 1.00 0.00 C ATOM 306 O LEU A 558 15.029 -0.931 -3.336 1.00 0.00 O ATOM 307 CB LEU A 558 13.210 -1.130 -5.711 1.00 0.00 C ATOM 308 CG LEU A 558 12.829 -0.362 -6.976 1.00 0.00 C ATOM 309 CD1 LEU A 558 11.372 -0.610 -7.326 1.00 0.00 C ATOM 310 CD2 LEU A 558 13.075 1.125 -6.784 1.00 0.00 C ATOM 0 H LEU A 558 14.148 -3.394 -6.451 1.00 0.00 H new ATOM 0 HA LEU A 558 15.309 -0.735 -5.977 1.00 0.00 H new ATOM 0 HB2 LEU A 558 12.590 -2.024 -5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 558 12.971 -0.513 -4.844 1.00 0.00 H new ATOM 0 HG LEU A 558 13.451 -0.717 -7.798 1.00 0.00 H new ATOM 0 HD11 LEU A 558 11.115 -0.056 -8.229 1.00 0.00 H new ATOM 0 HD12 LEU A 558 11.215 -1.675 -7.496 1.00 0.00 H new ATOM 0 HD13 LEU A 558 10.739 -0.277 -6.504 1.00 0.00 H new ATOM 0 HD21 LEU A 558 12.799 1.660 -7.693 1.00 0.00 H new ATOM 0 HD22 LEU A 558 12.472 1.489 -5.952 1.00 0.00 H new ATOM 0 HD23 LEU A 558 14.130 1.294 -6.569 1.00 0.00 H new ATOM 322 N LYS A 559 15.379 -3.084 -3.891 1.00 0.00 N ATOM 323 CA LYS A 559 15.695 -3.517 -2.532 1.00 0.00 C ATOM 324 C LYS A 559 16.833 -2.706 -1.915 1.00 0.00 C ATOM 325 O LYS A 559 16.812 -2.411 -0.723 1.00 0.00 O ATOM 326 CB LYS A 559 16.055 -5.008 -2.511 1.00 0.00 C ATOM 327 CG LYS A 559 17.028 -5.418 -3.607 1.00 0.00 C ATOM 328 CD LYS A 559 17.714 -6.737 -3.296 1.00 0.00 C ATOM 329 CE LYS A 559 18.618 -6.619 -2.082 1.00 0.00 C ATOM 330 NZ LYS A 559 19.476 -7.820 -1.915 1.00 0.00 N ATOM 0 H LYS A 559 15.442 -3.824 -4.590 1.00 0.00 H new ATOM 0 HA LYS A 559 14.801 -3.348 -1.932 1.00 0.00 H new ATOM 0 HB2 LYS A 559 16.489 -5.254 -1.542 1.00 0.00 H new ATOM 0 HB3 LYS A 559 15.142 -5.595 -2.610 1.00 0.00 H new ATOM 0 HG2 LYS A 559 16.494 -5.502 -4.553 1.00 0.00 H new ATOM 0 HG3 LYS A 559 17.780 -4.639 -3.734 1.00 0.00 H new ATOM 0 HD2 LYS A 559 16.963 -7.507 -3.119 1.00 0.00 H new ATOM 0 HD3 LYS A 559 18.300 -7.056 -4.158 1.00 0.00 H new ATOM 0 HE2 LYS A 559 19.247 -5.734 -2.181 1.00 0.00 H new ATOM 0 HE3 LYS A 559 18.010 -6.479 -1.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 559 20.079 -7.702 -1.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 559 18.876 -8.661 -1.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 559 20.074 -7.939 -2.757 1.00 0.00 H new ATOM 344 N GLY A 560 17.824 -2.355 -2.722 1.00 0.00 N ATOM 345 CA GLY A 560 18.947 -1.587 -2.223 1.00 0.00 C ATOM 346 C GLY A 560 18.752 -0.103 -2.423 1.00 0.00 C ATOM 347 O GLY A 560 19.547 0.704 -1.950 1.00 0.00 O ATOM 0 H GLY A 560 17.871 -2.588 -3.714 1.00 0.00 H new ATOM 0 HA2 GLY A 560 19.085 -1.795 -1.162 1.00 0.00 H new ATOM 0 HA3 GLY A 560 19.858 -1.905 -2.731 1.00 0.00 H new ATOM 351 N LYS A 561 17.688 0.259 -3.125 1.00 0.00 N ATOM 352 CA LYS A 561 17.399 1.657 -3.411 1.00 0.00 C ATOM 353 C LYS A 561 16.702 2.312 -2.225 1.00 0.00 C ATOM 354 O LYS A 561 16.917 3.488 -1.931 1.00 0.00 O ATOM 355 CB LYS A 561 16.527 1.782 -4.657 1.00 0.00 C ATOM 356 CG LYS A 561 17.157 1.187 -5.902 1.00 0.00 C ATOM 357 CD LYS A 561 16.395 1.590 -7.142 1.00 0.00 C ATOM 358 CE LYS A 561 16.862 0.810 -8.353 1.00 0.00 C ATOM 359 NZ LYS A 561 16.184 1.246 -9.602 1.00 0.00 N ATOM 0 H LYS A 561 17.009 -0.398 -3.508 1.00 0.00 H new ATOM 0 HA LYS A 561 18.345 2.168 -3.591 1.00 0.00 H new ATOM 0 HB2 LYS A 561 15.572 1.290 -4.473 1.00 0.00 H new ATOM 0 HB3 LYS A 561 16.313 2.836 -4.836 1.00 0.00 H new ATOM 0 HG2 LYS A 561 18.192 1.519 -5.984 1.00 0.00 H new ATOM 0 HG3 LYS A 561 17.176 0.100 -5.820 1.00 0.00 H new ATOM 0 HD2 LYS A 561 15.329 1.422 -6.987 1.00 0.00 H new ATOM 0 HD3 LYS A 561 16.526 2.657 -7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 561 17.939 0.930 -8.466 1.00 0.00 H new ATOM 0 HE3 LYS A 561 16.675 -0.252 -8.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 16.536 0.684 -10.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 15.158 1.107 -9.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 16.383 2.253 -9.772 1.00 0.00 H new ATOM 373 N ILE A 562 15.877 1.536 -1.540 1.00 0.00 N ATOM 374 CA ILE A 562 15.106 2.044 -0.421 1.00 0.00 C ATOM 375 C ILE A 562 15.670 1.525 0.900 1.00 0.00 C ATOM 376 O ILE A 562 16.291 0.460 0.946 1.00 0.00 O ATOM 377 CB ILE A 562 13.622 1.649 -0.547 1.00 0.00 C ATOM 378 CG1 ILE A 562 12.779 2.468 0.414 1.00 0.00 C ATOM 379 CG2 ILE A 562 13.412 0.165 -0.291 1.00 0.00 C ATOM 380 CD1 ILE A 562 11.347 2.017 0.463 1.00 0.00 C ATOM 0 H ILE A 562 15.725 0.548 -1.742 1.00 0.00 H new ATOM 0 HA ILE A 562 15.178 3.132 -0.435 1.00 0.00 H new ATOM 0 HB ILE A 562 13.309 1.858 -1.570 1.00 0.00 H new ATOM 0 HG12 ILE A 562 13.210 2.404 1.413 1.00 0.00 H new ATOM 0 HG13 ILE A 562 12.815 3.517 0.118 1.00 0.00 H new ATOM 0 HG21 ILE A 562 12.353 -0.075 -0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 562 13.984 -0.414 -1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 562 13.748 -0.082 0.716 1.00 0.00 H new ATOM 0 HD11 ILE A 562 10.794 2.639 1.166 1.00 0.00 H new ATOM 0 HD12 ILE A 562 10.903 2.107 -0.528 1.00 0.00 H new ATOM 0 HD13 ILE A 562 11.304 0.977 0.787 1.00 0.00 H new ATOM 392 N SER A 563 15.456 2.278 1.970 1.00 0.00 N ATOM 393 CA SER A 563 15.946 1.892 3.278 1.00 0.00 C ATOM 394 C SER A 563 14.992 0.895 3.923 1.00 0.00 C ATOM 395 O SER A 563 13.802 0.867 3.585 1.00 0.00 O ATOM 396 CB SER A 563 16.118 3.129 4.165 1.00 0.00 C ATOM 397 OG SER A 563 16.681 2.799 5.425 1.00 0.00 O ATOM 0 H SER A 563 14.945 3.161 1.954 1.00 0.00 H new ATOM 0 HA SER A 563 16.919 1.413 3.164 1.00 0.00 H new ATOM 0 HB2 SER A 563 16.757 3.853 3.659 1.00 0.00 H new ATOM 0 HB3 SER A 563 15.150 3.607 4.313 1.00 0.00 H new ATOM 0 HG SER A 563 16.778 3.612 5.963 1.00 0.00 H new ATOM 403 N GLU A 564 15.504 0.081 4.836 1.00 0.00 N ATOM 404 CA GLU A 564 14.717 -0.984 5.447 1.00 0.00 C ATOM 405 C GLU A 564 13.439 -0.434 6.066 1.00 0.00 C ATOM 406 O GLU A 564 12.354 -0.946 5.816 1.00 0.00 O ATOM 407 CB GLU A 564 15.550 -1.689 6.513 1.00 0.00 C ATOM 408 CG GLU A 564 16.908 -2.127 6.004 1.00 0.00 C ATOM 409 CD GLU A 564 17.779 -2.714 7.093 1.00 0.00 C ATOM 410 OE1 GLU A 564 17.483 -3.828 7.566 1.00 0.00 O ATOM 411 OE2 GLU A 564 18.767 -2.055 7.486 1.00 0.00 O ATOM 0 H GLU A 564 16.465 0.138 5.172 1.00 0.00 H new ATOM 0 HA GLU A 564 14.438 -1.696 4.670 1.00 0.00 H new ATOM 0 HB2 GLU A 564 15.684 -1.020 7.363 1.00 0.00 H new ATOM 0 HB3 GLU A 564 15.005 -2.560 6.876 1.00 0.00 H new ATOM 0 HG2 GLU A 564 16.774 -2.866 5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 564 17.417 -1.272 5.558 1.00 0.00 H new ATOM 418 N ALA A 565 13.579 0.635 6.839 1.00 0.00 N ATOM 419 CA ALA A 565 12.455 1.225 7.559 1.00 0.00 C ATOM 420 C ALA A 565 11.320 1.640 6.621 1.00 0.00 C ATOM 421 O ALA A 565 10.146 1.412 6.924 1.00 0.00 O ATOM 422 CB ALA A 565 12.925 2.421 8.365 1.00 0.00 C ATOM 0 H ALA A 565 14.467 1.115 6.985 1.00 0.00 H new ATOM 0 HA ALA A 565 12.061 0.461 8.229 1.00 0.00 H new ATOM 0 HB1 ALA A 565 12.080 2.855 8.899 1.00 0.00 H new ATOM 0 HB2 ALA A 565 13.682 2.102 9.082 1.00 0.00 H new ATOM 0 HB3 ALA A 565 13.352 3.167 7.694 1.00 0.00 H new ATOM 428 N ASP A 566 11.669 2.244 5.490 1.00 0.00 N ATOM 429 CA ASP A 566 10.669 2.669 4.510 1.00 0.00 C ATOM 430 C ASP A 566 10.004 1.451 3.893 1.00 0.00 C ATOM 431 O ASP A 566 8.779 1.354 3.830 1.00 0.00 O ATOM 432 CB ASP A 566 11.310 3.500 3.398 1.00 0.00 C ATOM 433 CG ASP A 566 12.108 4.680 3.911 1.00 0.00 C ATOM 434 OD1 ASP A 566 11.499 5.677 4.348 1.00 0.00 O ATOM 435 OD2 ASP A 566 13.353 4.614 3.880 1.00 0.00 O ATOM 0 H ASP A 566 12.633 2.451 5.227 1.00 0.00 H new ATOM 0 HA ASP A 566 9.929 3.280 5.026 1.00 0.00 H new ATOM 0 HB2 ASP A 566 11.964 2.859 2.807 1.00 0.00 H new ATOM 0 HB3 ASP A 566 10.529 3.862 2.730 1.00 0.00 H new ATOM 440 N LYS A 567 10.842 0.527 3.449 1.00 0.00 N ATOM 441 CA LYS A 567 10.407 -0.743 2.891 1.00 0.00 C ATOM 442 C LYS A 567 9.475 -1.481 3.854 1.00 0.00 C ATOM 443 O LYS A 567 8.402 -1.938 3.466 1.00 0.00 O ATOM 444 CB LYS A 567 11.662 -1.565 2.614 1.00 0.00 C ATOM 445 CG LYS A 567 11.428 -2.979 2.168 1.00 0.00 C ATOM 446 CD LYS A 567 12.742 -3.728 2.166 1.00 0.00 C ATOM 447 CE LYS A 567 12.551 -5.155 1.743 1.00 0.00 C ATOM 448 NZ LYS A 567 13.844 -5.878 1.615 1.00 0.00 N ATOM 0 H LYS A 567 11.856 0.640 3.466 1.00 0.00 H new ATOM 0 HA LYS A 567 9.841 -0.580 1.974 1.00 0.00 H new ATOM 0 HB2 LYS A 567 12.247 -1.054 1.849 1.00 0.00 H new ATOM 0 HB3 LYS A 567 12.269 -1.585 3.519 1.00 0.00 H new ATOM 0 HG2 LYS A 567 10.718 -3.469 2.834 1.00 0.00 H new ATOM 0 HG3 LYS A 567 10.989 -2.990 1.170 1.00 0.00 H new ATOM 0 HD2 LYS A 567 13.443 -3.236 1.491 1.00 0.00 H new ATOM 0 HD3 LYS A 567 13.183 -3.697 3.162 1.00 0.00 H new ATOM 0 HE2 LYS A 567 11.920 -5.667 2.470 1.00 0.00 H new ATOM 0 HE3 LYS A 567 12.025 -5.183 0.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 13.676 -6.820 1.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 14.482 -5.341 0.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 14.280 -5.979 2.554 1.00 0.00 H new ATOM 462 N LYS A 568 9.879 -1.564 5.114 1.00 0.00 N ATOM 463 CA LYS A 568 9.092 -2.240 6.138 1.00 0.00 C ATOM 464 C LYS A 568 7.757 -1.551 6.362 1.00 0.00 C ATOM 465 O LYS A 568 6.716 -2.209 6.395 1.00 0.00 O ATOM 466 CB LYS A 568 9.859 -2.295 7.462 1.00 0.00 C ATOM 467 CG LYS A 568 11.057 -3.213 7.445 1.00 0.00 C ATOM 468 CD LYS A 568 11.780 -3.171 8.775 1.00 0.00 C ATOM 469 CE LYS A 568 13.087 -3.929 8.712 1.00 0.00 C ATOM 470 NZ LYS A 568 13.768 -3.964 10.032 1.00 0.00 N ATOM 0 H LYS A 568 10.755 -1.168 5.454 1.00 0.00 H new ATOM 0 HA LYS A 568 8.906 -3.253 5.782 1.00 0.00 H new ATOM 0 HB2 LYS A 568 10.190 -1.289 7.719 1.00 0.00 H new ATOM 0 HB3 LYS A 568 9.179 -2.618 8.250 1.00 0.00 H new ATOM 0 HG2 LYS A 568 10.737 -4.233 7.231 1.00 0.00 H new ATOM 0 HG3 LYS A 568 11.737 -2.918 6.646 1.00 0.00 H new ATOM 0 HD2 LYS A 568 11.971 -2.135 9.056 1.00 0.00 H new ATOM 0 HD3 LYS A 568 11.145 -3.600 9.551 1.00 0.00 H new ATOM 0 HE2 LYS A 568 12.900 -4.948 8.372 1.00 0.00 H new ATOM 0 HE3 LYS A 568 13.743 -3.463 7.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 14.660 -4.492 9.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 13.969 -2.993 10.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 13.153 -4.432 10.728 1.00 0.00 H new ATOM 484 N LYS A 569 7.781 -0.227 6.499 1.00 0.00 N ATOM 485 CA LYS A 569 6.580 0.508 6.856 1.00 0.00 C ATOM 486 C LYS A 569 5.536 0.379 5.757 1.00 0.00 C ATOM 487 O LYS A 569 4.353 0.197 6.037 1.00 0.00 O ATOM 488 CB LYS A 569 6.890 1.989 7.140 1.00 0.00 C ATOM 489 CG LYS A 569 7.020 2.861 5.904 1.00 0.00 C ATOM 490 CD LYS A 569 7.305 4.314 6.262 1.00 0.00 C ATOM 491 CE LYS A 569 6.057 5.064 6.727 1.00 0.00 C ATOM 492 NZ LYS A 569 5.574 4.615 8.062 1.00 0.00 N ATOM 0 H LYS A 569 8.612 0.350 6.369 1.00 0.00 H new ATOM 0 HA LYS A 569 6.180 0.074 7.772 1.00 0.00 H new ATOM 0 HB2 LYS A 569 6.101 2.396 7.773 1.00 0.00 H new ATOM 0 HB3 LYS A 569 7.818 2.049 7.709 1.00 0.00 H new ATOM 0 HG2 LYS A 569 7.822 2.479 5.273 1.00 0.00 H new ATOM 0 HG3 LYS A 569 6.101 2.804 5.321 1.00 0.00 H new ATOM 0 HD2 LYS A 569 8.059 4.349 7.049 1.00 0.00 H new ATOM 0 HD3 LYS A 569 7.726 4.822 5.394 1.00 0.00 H new ATOM 0 HE2 LYS A 569 6.274 6.131 6.765 1.00 0.00 H new ATOM 0 HE3 LYS A 569 5.262 4.926 5.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 569 5.184 5.427 8.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 569 4.834 3.895 7.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 569 6.366 4.209 8.599 1.00 0.00 H new ATOM 506 N VAL A 570 5.976 0.469 4.507 1.00 0.00 N ATOM 507 CA VAL A 570 5.065 0.367 3.388 1.00 0.00 C ATOM 508 C VAL A 570 4.545 -1.065 3.222 1.00 0.00 C ATOM 509 O VAL A 570 3.362 -1.254 2.985 1.00 0.00 O ATOM 510 CB VAL A 570 5.693 0.888 2.077 1.00 0.00 C ATOM 511 CG1 VAL A 570 6.851 0.021 1.643 1.00 0.00 C ATOM 512 CG2 VAL A 570 4.645 0.982 0.980 1.00 0.00 C ATOM 0 H VAL A 570 6.953 0.612 4.250 1.00 0.00 H new ATOM 0 HA VAL A 570 4.214 1.010 3.612 1.00 0.00 H new ATOM 0 HB VAL A 570 6.081 1.889 2.266 1.00 0.00 H new ATOM 0 HG11 VAL A 570 7.272 0.413 0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 570 7.617 0.021 2.419 1.00 0.00 H new ATOM 0 HG13 VAL A 570 6.501 -0.998 1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 570 5.108 1.351 0.065 1.00 0.00 H new ATOM 0 HG22 VAL A 570 4.219 -0.005 0.799 1.00 0.00 H new ATOM 0 HG23 VAL A 570 3.855 1.667 1.289 1.00 0.00 H new ATOM 522 N LEU A 571 5.418 -2.070 3.364 1.00 0.00 N ATOM 523 CA LEU A 571 4.992 -3.475 3.277 1.00 0.00 C ATOM 524 C LEU A 571 3.937 -3.772 4.335 1.00 0.00 C ATOM 525 O LEU A 571 2.880 -4.336 4.044 1.00 0.00 O ATOM 526 CB LEU A 571 6.174 -4.435 3.495 1.00 0.00 C ATOM 527 CG LEU A 571 7.209 -4.541 2.375 1.00 0.00 C ATOM 528 CD1 LEU A 571 8.536 -5.009 2.948 1.00 0.00 C ATOM 529 CD2 LEU A 571 6.748 -5.515 1.306 1.00 0.00 C ATOM 0 H LEU A 571 6.415 -1.940 3.538 1.00 0.00 H new ATOM 0 HA LEU A 571 4.584 -3.627 2.278 1.00 0.00 H new ATOM 0 HB2 LEU A 571 6.692 -4.131 4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 571 5.770 -5.431 3.676 1.00 0.00 H new ATOM 0 HG LEU A 571 7.329 -3.557 1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 571 9.272 -5.084 2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 571 8.883 -4.294 3.694 1.00 0.00 H new ATOM 0 HD13 LEU A 571 8.407 -5.986 3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 571 7.500 -5.574 0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 571 6.607 -6.501 1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 571 5.805 -5.170 0.881 1.00 0.00 H new ATOM 541 N ASP A 572 4.244 -3.379 5.562 1.00 0.00 N ATOM 542 CA ASP A 572 3.369 -3.605 6.706 1.00 0.00 C ATOM 543 C ASP A 572 2.033 -2.896 6.500 1.00 0.00 C ATOM 544 O ASP A 572 0.967 -3.471 6.726 1.00 0.00 O ATOM 545 CB ASP A 572 4.062 -3.092 7.973 1.00 0.00 C ATOM 546 CG ASP A 572 3.355 -3.497 9.246 1.00 0.00 C ATOM 547 OD1 ASP A 572 3.542 -4.649 9.697 1.00 0.00 O ATOM 548 OD2 ASP A 572 2.626 -2.663 9.817 1.00 0.00 O ATOM 0 H ASP A 572 5.110 -2.892 5.795 1.00 0.00 H new ATOM 0 HA ASP A 572 3.171 -4.672 6.810 1.00 0.00 H new ATOM 0 HB2 ASP A 572 5.084 -3.469 7.998 1.00 0.00 H new ATOM 0 HB3 ASP A 572 4.124 -2.005 7.930 1.00 0.00 H new ATOM 553 N LYS A 573 2.110 -1.650 6.048 1.00 0.00 N ATOM 554 CA LYS A 573 0.931 -0.850 5.745 1.00 0.00 C ATOM 555 C LYS A 573 0.147 -1.456 4.585 1.00 0.00 C ATOM 556 O LYS A 573 -1.083 -1.525 4.624 1.00 0.00 O ATOM 557 CB LYS A 573 1.370 0.585 5.431 1.00 0.00 C ATOM 558 CG LYS A 573 0.329 1.450 4.743 1.00 0.00 C ATOM 559 CD LYS A 573 -0.954 1.541 5.529 1.00 0.00 C ATOM 560 CE LYS A 573 -1.898 2.563 4.932 1.00 0.00 C ATOM 561 NZ LYS A 573 -3.161 2.649 5.716 1.00 0.00 N ATOM 0 H LYS A 573 2.992 -1.166 5.881 1.00 0.00 H new ATOM 0 HA LYS A 573 0.267 -0.838 6.609 1.00 0.00 H new ATOM 0 HB2 LYS A 573 1.662 1.070 6.363 1.00 0.00 H new ATOM 0 HB3 LYS A 573 2.258 0.545 4.801 1.00 0.00 H new ATOM 0 HG2 LYS A 573 0.733 2.452 4.595 1.00 0.00 H new ATOM 0 HG3 LYS A 573 0.118 1.042 3.754 1.00 0.00 H new ATOM 0 HD2 LYS A 573 -1.439 0.565 5.551 1.00 0.00 H new ATOM 0 HD3 LYS A 573 -0.731 1.809 6.562 1.00 0.00 H new ATOM 0 HE2 LYS A 573 -1.414 3.539 4.908 1.00 0.00 H new ATOM 0 HE3 LYS A 573 -2.124 2.294 3.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 573 -3.952 2.866 5.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 573 -3.338 1.740 6.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 573 -3.076 3.401 6.430 1.00 0.00 H new ATOM 575 N CYS A 574 0.864 -1.905 3.563 1.00 0.00 N ATOM 576 CA CYS A 574 0.244 -2.555 2.416 1.00 0.00 C ATOM 577 C CYS A 574 -0.518 -3.803 2.854 1.00 0.00 C ATOM 578 O CYS A 574 -1.598 -4.089 2.351 1.00 0.00 O ATOM 579 CB CYS A 574 1.291 -2.904 1.352 1.00 0.00 C ATOM 580 SG CYS A 574 1.991 -1.468 0.510 1.00 0.00 S ATOM 0 H CYS A 574 1.880 -1.830 3.505 1.00 0.00 H new ATOM 0 HA CYS A 574 -0.466 -1.857 1.973 1.00 0.00 H new ATOM 0 HB2 CYS A 574 2.098 -3.466 1.822 1.00 0.00 H new ATOM 0 HB3 CYS A 574 0.836 -3.561 0.611 1.00 0.00 H new ATOM 0 HG CYS A 574 2.613 -0.720 1.372 1.00 0.00 H new ATOM 586 N GLN A 575 0.043 -4.535 3.804 1.00 0.00 N ATOM 587 CA GLN A 575 -0.619 -5.715 4.341 1.00 0.00 C ATOM 588 C GLN A 575 -1.882 -5.335 5.110 1.00 0.00 C ATOM 589 O GLN A 575 -2.897 -6.024 5.020 1.00 0.00 O ATOM 590 CB GLN A 575 0.331 -6.495 5.243 1.00 0.00 C ATOM 591 CG GLN A 575 0.745 -7.830 4.652 1.00 0.00 C ATOM 592 CD GLN A 575 -0.442 -8.731 4.362 1.00 0.00 C ATOM 593 OE1 GLN A 575 -1.453 -8.694 5.062 1.00 0.00 O ATOM 594 NE2 GLN A 575 -0.342 -9.528 3.311 1.00 0.00 N ATOM 0 H GLN A 575 0.953 -4.334 4.219 1.00 0.00 H new ATOM 0 HA GLN A 575 -0.908 -6.348 3.502 1.00 0.00 H new ATOM 0 HB2 GLN A 575 1.221 -5.895 5.430 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -0.148 -6.663 6.207 1.00 0.00 H new ATOM 0 HG2 GLN A 575 1.301 -7.659 3.730 1.00 0.00 H new ATOM 0 HG3 GLN A 575 1.420 -8.335 5.342 1.00 0.00 H new ATOM 0 HE21 GLN A 575 0.512 -9.532 2.753 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -1.119 -10.139 3.058 1.00 0.00 H new ATOM 603 N GLU A 576 -1.818 -4.231 5.848 1.00 0.00 N ATOM 604 CA GLU A 576 -2.974 -3.749 6.595 1.00 0.00 C ATOM 605 C GLU A 576 -4.140 -3.464 5.665 1.00 0.00 C ATOM 606 O GLU A 576 -5.240 -3.983 5.856 1.00 0.00 O ATOM 607 CB GLU A 576 -2.634 -2.484 7.373 1.00 0.00 C ATOM 608 CG GLU A 576 -1.851 -2.724 8.646 1.00 0.00 C ATOM 609 CD GLU A 576 -1.812 -1.488 9.515 1.00 0.00 C ATOM 610 OE1 GLU A 576 -2.878 -1.084 10.020 1.00 0.00 O ATOM 611 OE2 GLU A 576 -0.724 -0.902 9.679 1.00 0.00 O ATOM 0 H GLU A 576 -0.981 -3.656 5.944 1.00 0.00 H new ATOM 0 HA GLU A 576 -3.257 -4.534 7.296 1.00 0.00 H new ATOM 0 HB2 GLU A 576 -2.060 -1.819 6.728 1.00 0.00 H new ATOM 0 HB3 GLU A 576 -3.560 -1.966 7.623 1.00 0.00 H new ATOM 0 HG2 GLU A 576 -2.302 -3.546 9.202 1.00 0.00 H new ATOM 0 HG3 GLU A 576 -0.834 -3.027 8.397 1.00 0.00 H new ATOM 618 N VAL A 577 -3.889 -2.648 4.652 1.00 0.00 N ATOM 619 CA VAL A 577 -4.923 -2.289 3.693 1.00 0.00 C ATOM 620 C VAL A 577 -5.395 -3.515 2.912 1.00 0.00 C ATOM 621 O VAL A 577 -6.586 -3.684 2.690 1.00 0.00 O ATOM 622 CB VAL A 577 -4.452 -1.176 2.722 1.00 0.00 C ATOM 623 CG1 VAL A 577 -3.045 -1.426 2.240 1.00 0.00 C ATOM 624 CG2 VAL A 577 -5.386 -1.049 1.531 1.00 0.00 C ATOM 0 H VAL A 577 -2.979 -2.222 4.473 1.00 0.00 H new ATOM 0 HA VAL A 577 -5.764 -1.894 4.263 1.00 0.00 H new ATOM 0 HB VAL A 577 -4.469 -0.240 3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 577 -2.746 -0.627 1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 577 -2.367 -1.450 3.093 1.00 0.00 H new ATOM 0 HG13 VAL A 577 -3.004 -2.381 1.717 1.00 0.00 H new ATOM 0 HG21 VAL A 577 -5.027 -0.260 0.870 1.00 0.00 H new ATOM 0 HG22 VAL A 577 -5.413 -1.993 0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 577 -6.389 -0.802 1.880 1.00 0.00 H new ATOM 634 N ILE A 578 -4.465 -4.380 2.528 1.00 0.00 N ATOM 635 CA ILE A 578 -4.804 -5.585 1.778 1.00 0.00 C ATOM 636 C ILE A 578 -5.710 -6.522 2.589 1.00 0.00 C ATOM 637 O ILE A 578 -6.716 -7.030 2.077 1.00 0.00 O ATOM 638 CB ILE A 578 -3.521 -6.301 1.298 1.00 0.00 C ATOM 639 CG1 ILE A 578 -3.015 -5.618 0.024 1.00 0.00 C ATOM 640 CG2 ILE A 578 -3.765 -7.783 1.057 1.00 0.00 C ATOM 641 CD1 ILE A 578 -1.612 -5.998 -0.366 1.00 0.00 C ATOM 0 H ILE A 578 -3.470 -4.271 2.723 1.00 0.00 H new ATOM 0 HA ILE A 578 -5.372 -5.287 0.897 1.00 0.00 H new ATOM 0 HB ILE A 578 -2.763 -6.226 2.078 1.00 0.00 H new ATOM 0 HG12 ILE A 578 -3.687 -5.864 -0.798 1.00 0.00 H new ATOM 0 HG13 ILE A 578 -3.062 -4.538 0.162 1.00 0.00 H new ATOM 0 HG21 ILE A 578 -2.841 -8.254 0.721 1.00 0.00 H new ATOM 0 HG22 ILE A 578 -4.095 -8.253 1.983 1.00 0.00 H new ATOM 0 HG23 ILE A 578 -4.534 -7.906 0.294 1.00 0.00 H new ATOM 0 HD11 ILE A 578 -1.332 -5.470 -1.278 1.00 0.00 H new ATOM 0 HD12 ILE A 578 -0.925 -5.726 0.436 1.00 0.00 H new ATOM 0 HD13 ILE A 578 -1.561 -7.073 -0.539 1.00 0.00 H new ATOM 653 N SER A 579 -5.388 -6.714 3.863 1.00 0.00 N ATOM 654 CA SER A 579 -6.218 -7.532 4.739 1.00 0.00 C ATOM 655 C SER A 579 -7.548 -6.824 5.021 1.00 0.00 C ATOM 656 O SER A 579 -8.558 -7.461 5.316 1.00 0.00 O ATOM 657 CB SER A 579 -5.473 -7.832 6.047 1.00 0.00 C ATOM 658 OG SER A 579 -6.160 -8.804 6.819 1.00 0.00 O ATOM 0 H SER A 579 -4.562 -6.316 4.311 1.00 0.00 H new ATOM 0 HA SER A 579 -6.432 -8.478 4.241 1.00 0.00 H new ATOM 0 HB2 SER A 579 -4.467 -8.187 5.822 1.00 0.00 H new ATOM 0 HB3 SER A 579 -5.365 -6.915 6.626 1.00 0.00 H new ATOM 0 HG SER A 579 -5.662 -8.977 7.645 1.00 0.00 H new ATOM 664 N TRP A 580 -7.533 -5.503 4.913 1.00 0.00 N ATOM 665 CA TRP A 580 -8.728 -4.687 5.076 1.00 0.00 C ATOM 666 C TRP A 580 -9.608 -4.813 3.838 1.00 0.00 C ATOM 667 O TRP A 580 -10.829 -4.851 3.929 1.00 0.00 O ATOM 668 CB TRP A 580 -8.316 -3.227 5.306 1.00 0.00 C ATOM 669 CG TRP A 580 -9.456 -2.254 5.393 1.00 0.00 C ATOM 670 CD1 TRP A 580 -10.199 -1.954 6.498 1.00 0.00 C ATOM 671 CD2 TRP A 580 -9.968 -1.435 4.333 1.00 0.00 C ATOM 672 NE1 TRP A 580 -11.140 -1.001 6.191 1.00 0.00 N ATOM 673 CE2 TRP A 580 -11.020 -0.667 4.868 1.00 0.00 C ATOM 674 CE3 TRP A 580 -9.640 -1.279 2.984 1.00 0.00 C ATOM 675 CZ2 TRP A 580 -11.742 0.245 4.103 1.00 0.00 C ATOM 676 CZ3 TRP A 580 -10.360 -0.376 2.225 1.00 0.00 C ATOM 677 CH2 TRP A 580 -11.400 0.377 2.787 1.00 0.00 C ATOM 0 H TRP A 580 -6.690 -4.966 4.709 1.00 0.00 H new ATOM 0 HA TRP A 580 -9.298 -5.031 5.939 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -7.737 -3.169 6.228 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -7.656 -2.919 4.495 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -10.066 -2.401 7.472 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -11.818 -0.606 6.843 1.00 0.00 H new ATOM 0 HE3 TRP A 580 -8.839 -1.853 2.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -12.543 0.827 4.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 -10.117 -0.248 1.180 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -11.942 1.076 2.167 1.00 0.00 H new ATOM 688 N LEU A 581 -8.966 -4.897 2.683 1.00 0.00 N ATOM 689 CA LEU A 581 -9.660 -5.026 1.407 1.00 0.00 C ATOM 690 C LEU A 581 -10.490 -6.295 1.355 1.00 0.00 C ATOM 691 O LEU A 581 -11.622 -6.293 0.871 1.00 0.00 O ATOM 692 CB LEU A 581 -8.656 -5.026 0.271 1.00 0.00 C ATOM 693 CG LEU A 581 -7.909 -3.719 0.081 1.00 0.00 C ATOM 694 CD1 LEU A 581 -6.657 -3.975 -0.721 1.00 0.00 C ATOM 695 CD2 LEU A 581 -8.795 -2.710 -0.602 1.00 0.00 C ATOM 0 H LEU A 581 -7.949 -4.878 2.602 1.00 0.00 H new ATOM 0 HA LEU A 581 -10.333 -4.175 1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 581 -7.931 -5.820 0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 581 -9.177 -5.268 -0.655 1.00 0.00 H new ATOM 0 HG LEU A 581 -7.626 -3.311 1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 581 -6.116 -3.039 -0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 581 -6.023 -4.684 -0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 581 -6.926 -4.387 -1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 581 -8.249 -1.776 -0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 581 -9.099 -3.093 -1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 581 -9.680 -2.530 0.009 1.00 0.00 H new ATOM 707 N ASP A 582 -9.922 -7.378 1.850 1.00 0.00 N ATOM 708 CA ASP A 582 -10.654 -8.636 1.946 1.00 0.00 C ATOM 709 C ASP A 582 -11.828 -8.481 2.907 1.00 0.00 C ATOM 710 O ASP A 582 -12.901 -9.051 2.705 1.00 0.00 O ATOM 711 CB ASP A 582 -9.730 -9.756 2.431 1.00 0.00 C ATOM 712 CG ASP A 582 -10.441 -11.090 2.556 1.00 0.00 C ATOM 713 OD1 ASP A 582 -11.040 -11.358 3.620 1.00 0.00 O ATOM 714 OD2 ASP A 582 -10.402 -11.882 1.593 1.00 0.00 O ATOM 0 H ASP A 582 -8.962 -7.417 2.191 1.00 0.00 H new ATOM 0 HA ASP A 582 -11.031 -8.897 0.957 1.00 0.00 H new ATOM 0 HB2 ASP A 582 -8.895 -9.858 1.738 1.00 0.00 H new ATOM 0 HB3 ASP A 582 -9.310 -9.481 3.398 1.00 0.00 H new ATOM 719 N ALA A 583 -11.618 -7.665 3.929 1.00 0.00 N ATOM 720 CA ALA A 583 -12.579 -7.507 5.006 1.00 0.00 C ATOM 721 C ALA A 583 -13.714 -6.551 4.640 1.00 0.00 C ATOM 722 O ALA A 583 -14.859 -6.760 5.035 1.00 0.00 O ATOM 723 CB ALA A 583 -11.853 -7.009 6.243 1.00 0.00 C ATOM 0 H ALA A 583 -10.778 -7.096 4.034 1.00 0.00 H new ATOM 0 HA ALA A 583 -13.036 -8.478 5.197 1.00 0.00 H new ATOM 0 HB1 ALA A 583 -12.566 -6.887 7.059 1.00 0.00 H new ATOM 0 HB2 ALA A 583 -11.090 -7.732 6.533 1.00 0.00 H new ATOM 0 HB3 ALA A 583 -11.381 -6.051 6.027 1.00 0.00 H new ATOM 729 N ASN A 584 -13.405 -5.534 3.845 1.00 0.00 N ATOM 730 CA ASN A 584 -14.391 -4.510 3.491 1.00 0.00 C ATOM 731 C ASN A 584 -15.008 -4.788 2.121 1.00 0.00 C ATOM 732 O ASN A 584 -15.212 -3.883 1.314 1.00 0.00 O ATOM 733 CB ASN A 584 -13.764 -3.104 3.510 1.00 0.00 C ATOM 734 CG ASN A 584 -12.962 -2.765 2.260 1.00 0.00 C ATOM 735 OD1 ASN A 584 -12.989 -1.642 1.795 1.00 0.00 O ATOM 736 ND2 ASN A 584 -12.250 -3.721 1.703 1.00 0.00 N ATOM 0 H ASN A 584 -12.483 -5.393 3.432 1.00 0.00 H new ATOM 0 HA ASN A 584 -15.181 -4.548 4.241 1.00 0.00 H new ATOM 0 HB2 ASN A 584 -14.557 -2.366 3.632 1.00 0.00 H new ATOM 0 HB3 ASN A 584 -13.113 -3.019 4.380 1.00 0.00 H new ATOM 0 HD21 ASN A 584 -11.705 -3.527 0.863 1.00 0.00 H new ATOM 0 HD22 ASN A 584 -12.243 -4.656 2.111 1.00 0.00 H new ATOM 743 N THR A 585 -15.348 -6.034 1.872 1.00 0.00 N ATOM 744 CA THR A 585 -15.841 -6.440 0.567 1.00 0.00 C ATOM 745 C THR A 585 -17.142 -5.720 0.196 1.00 0.00 C ATOM 746 O THR A 585 -17.587 -5.774 -0.950 1.00 0.00 O ATOM 747 CB THR A 585 -16.068 -7.957 0.535 1.00 0.00 C ATOM 748 OG1 THR A 585 -15.611 -8.533 1.768 1.00 0.00 O ATOM 749 CG2 THR A 585 -15.325 -8.589 -0.626 1.00 0.00 C ATOM 0 H THR A 585 -15.293 -6.788 2.556 1.00 0.00 H new ATOM 0 HA THR A 585 -15.083 -6.164 -0.166 1.00 0.00 H new ATOM 0 HB THR A 585 -17.134 -8.147 0.408 1.00 0.00 H new ATOM 0 HG1 THR A 585 -14.631 -8.554 1.776 1.00 0.00 H new ATOM 0 HG21 THR A 585 -15.501 -9.665 -0.628 1.00 0.00 H new ATOM 0 HG22 THR A 585 -15.682 -8.161 -1.563 1.00 0.00 H new ATOM 0 HG23 THR A 585 -14.257 -8.396 -0.523 1.00 0.00 H new ATOM 757 N LEU A 586 -17.750 -5.053 1.173 1.00 0.00 N ATOM 758 CA LEU A 586 -19.001 -4.342 0.955 1.00 0.00 C ATOM 759 C LEU A 586 -18.796 -2.825 1.001 1.00 0.00 C ATOM 760 O LEU A 586 -19.762 -2.061 0.945 1.00 0.00 O ATOM 761 CB LEU A 586 -20.047 -4.759 1.992 1.00 0.00 C ATOM 762 CG LEU A 586 -20.390 -6.257 2.047 1.00 0.00 C ATOM 763 CD1 LEU A 586 -20.477 -6.846 0.650 1.00 0.00 C ATOM 764 CD2 LEU A 586 -19.374 -7.023 2.867 1.00 0.00 C ATOM 0 H LEU A 586 -17.393 -4.991 2.126 1.00 0.00 H new ATOM 0 HA LEU A 586 -19.361 -4.608 -0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 586 -19.694 -4.452 2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 586 -20.965 -4.205 1.795 1.00 0.00 H new ATOM 0 HG LEU A 586 -21.363 -6.350 2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 586 -20.721 -7.906 0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 586 -21.254 -6.330 0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 586 -19.519 -6.725 0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 586 -19.644 -8.079 2.887 1.00 0.00 H new ATOM 0 HD22 LEU A 586 -18.386 -6.910 2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 586 -19.359 -6.633 3.885 1.00 0.00 H new ATOM 776 N ALA A 587 -17.539 -2.398 1.108 1.00 0.00 N ATOM 777 CA ALA A 587 -17.205 -0.969 1.154 1.00 0.00 C ATOM 778 C ALA A 587 -17.523 -0.294 -0.168 1.00 0.00 C ATOM 779 O ALA A 587 -17.574 -0.935 -1.220 1.00 0.00 O ATOM 780 CB ALA A 587 -15.730 -0.750 1.477 1.00 0.00 C ATOM 0 H ALA A 587 -16.732 -3.019 1.165 1.00 0.00 H new ATOM 0 HA ALA A 587 -17.812 -0.528 1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 587 -15.518 0.319 1.503 1.00 0.00 H new ATOM 0 HB2 ALA A 587 -15.501 -1.189 2.448 1.00 0.00 H new ATOM 0 HB3 ALA A 587 -15.116 -1.223 0.711 1.00 0.00 H new ATOM 786 N GLU A 588 -17.737 1.006 -0.103 1.00 0.00 N ATOM 787 CA GLU A 588 -17.954 1.803 -1.291 1.00 0.00 C ATOM 788 C GLU A 588 -16.666 2.516 -1.682 1.00 0.00 C ATOM 789 O GLU A 588 -15.669 2.435 -0.963 1.00 0.00 O ATOM 790 CB GLU A 588 -19.097 2.795 -1.076 1.00 0.00 C ATOM 791 CG GLU A 588 -20.447 2.113 -0.936 1.00 0.00 C ATOM 792 CD GLU A 588 -21.602 3.087 -0.888 1.00 0.00 C ATOM 793 OE1 GLU A 588 -21.886 3.724 -1.923 1.00 0.00 O ATOM 794 OE2 GLU A 588 -22.246 3.195 0.176 1.00 0.00 O ATOM 0 H GLU A 588 -17.765 1.535 0.769 1.00 0.00 H new ATOM 0 HA GLU A 588 -18.242 1.145 -2.111 1.00 0.00 H new ATOM 0 HB2 GLU A 588 -18.898 3.384 -0.181 1.00 0.00 H new ATOM 0 HB3 GLU A 588 -19.131 3.491 -1.914 1.00 0.00 H new ATOM 0 HG2 GLU A 588 -20.591 1.430 -1.773 1.00 0.00 H new ATOM 0 HG3 GLU A 588 -20.450 1.510 -0.028 1.00 0.00 H new ATOM 801 N LYS A 589 -16.700 3.223 -2.803 1.00 0.00 N ATOM 802 CA LYS A 589 -15.489 3.762 -3.418 1.00 0.00 C ATOM 803 C LYS A 589 -14.675 4.638 -2.470 1.00 0.00 C ATOM 804 O LYS A 589 -13.459 4.490 -2.379 1.00 0.00 O ATOM 805 CB LYS A 589 -15.853 4.566 -4.667 1.00 0.00 C ATOM 806 CG LYS A 589 -16.951 5.596 -4.457 1.00 0.00 C ATOM 807 CD LYS A 589 -17.364 6.246 -5.763 1.00 0.00 C ATOM 808 CE LYS A 589 -18.132 5.272 -6.633 1.00 0.00 C ATOM 809 NZ LYS A 589 -18.556 5.882 -7.919 1.00 0.00 N ATOM 0 H LYS A 589 -17.558 3.439 -3.310 1.00 0.00 H new ATOM 0 HA LYS A 589 -14.866 2.908 -3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 589 -14.960 5.075 -5.029 1.00 0.00 H new ATOM 0 HB3 LYS A 589 -16.166 3.875 -5.450 1.00 0.00 H new ATOM 0 HG2 LYS A 589 -17.816 5.118 -3.998 1.00 0.00 H new ATOM 0 HG3 LYS A 589 -16.605 6.361 -3.763 1.00 0.00 H new ATOM 0 HD2 LYS A 589 -17.980 7.122 -5.559 1.00 0.00 H new ATOM 0 HD3 LYS A 589 -16.480 6.596 -6.295 1.00 0.00 H new ATOM 0 HE2 LYS A 589 -17.511 4.399 -6.834 1.00 0.00 H new ATOM 0 HE3 LYS A 589 -19.011 4.920 -6.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 -19.078 5.180 -8.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 -19.171 6.699 -7.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 -17.717 6.195 -8.448 1.00 0.00 H new ATOM 823 N ASP A 590 -15.343 5.521 -1.754 1.00 0.00 N ATOM 824 CA ASP A 590 -14.663 6.475 -0.882 1.00 0.00 C ATOM 825 C ASP A 590 -13.956 5.802 0.297 1.00 0.00 C ATOM 826 O ASP A 590 -12.994 6.355 0.829 1.00 0.00 O ATOM 827 CB ASP A 590 -15.625 7.562 -0.393 1.00 0.00 C ATOM 828 CG ASP A 590 -16.840 7.019 0.327 1.00 0.00 C ATOM 829 OD1 ASP A 590 -17.647 6.316 -0.317 1.00 0.00 O ATOM 830 OD2 ASP A 590 -17.005 7.317 1.527 1.00 0.00 O ATOM 0 H ASP A 590 -16.360 5.602 -1.755 1.00 0.00 H new ATOM 0 HA ASP A 590 -13.888 6.945 -1.486 1.00 0.00 H new ATOM 0 HB2 ASP A 590 -15.089 8.236 0.275 1.00 0.00 H new ATOM 0 HB3 ASP A 590 -15.954 8.155 -1.247 1.00 0.00 H new ATOM 835 N GLU A 591 -14.411 4.616 0.708 1.00 0.00 N ATOM 836 CA GLU A 591 -13.683 3.851 1.724 1.00 0.00 C ATOM 837 C GLU A 591 -12.318 3.458 1.189 1.00 0.00 C ATOM 838 O GLU A 591 -11.289 3.675 1.838 1.00 0.00 O ATOM 839 CB GLU A 591 -14.448 2.597 2.160 1.00 0.00 C ATOM 840 CG GLU A 591 -15.431 2.849 3.287 1.00 0.00 C ATOM 841 CD GLU A 591 -14.757 3.409 4.527 1.00 0.00 C ATOM 842 OE1 GLU A 591 -14.602 4.645 4.624 1.00 0.00 O ATOM 843 OE2 GLU A 591 -14.376 2.615 5.414 1.00 0.00 O ATOM 0 H GLU A 591 -15.261 4.172 0.362 1.00 0.00 H new ATOM 0 HA GLU A 591 -13.572 4.490 2.600 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -14.986 2.193 1.303 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -13.734 1.836 2.475 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -16.198 3.545 2.948 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -15.936 1.917 3.541 1.00 0.00 H new ATOM 850 N PHE A 592 -12.316 2.907 -0.017 1.00 0.00 N ATOM 851 CA PHE A 592 -11.081 2.552 -0.690 1.00 0.00 C ATOM 852 C PHE A 592 -10.272 3.809 -0.977 1.00 0.00 C ATOM 853 O PHE A 592 -9.068 3.838 -0.770 1.00 0.00 O ATOM 854 CB PHE A 592 -11.368 1.802 -1.994 1.00 0.00 C ATOM 855 CG PHE A 592 -12.168 0.547 -1.801 1.00 0.00 C ATOM 856 CD1 PHE A 592 -11.556 -0.601 -1.346 1.00 0.00 C ATOM 857 CD2 PHE A 592 -13.526 0.522 -2.064 1.00 0.00 C ATOM 858 CE1 PHE A 592 -12.285 -1.762 -1.146 1.00 0.00 C ATOM 859 CE2 PHE A 592 -14.261 -0.631 -1.873 1.00 0.00 C ATOM 860 CZ PHE A 592 -13.640 -1.775 -1.414 1.00 0.00 C ATOM 0 H PHE A 592 -13.161 2.697 -0.548 1.00 0.00 H new ATOM 0 HA PHE A 592 -10.507 1.894 -0.038 1.00 0.00 H new ATOM 0 HB2 PHE A 592 -11.904 2.464 -2.674 1.00 0.00 H new ATOM 0 HB3 PHE A 592 -10.423 1.550 -2.474 1.00 0.00 H new ATOM 0 HD1 PHE A 592 -10.495 -0.595 -1.143 1.00 0.00 H new ATOM 0 HD2 PHE A 592 -14.017 1.415 -2.423 1.00 0.00 H new ATOM 0 HE1 PHE A 592 -11.796 -2.653 -0.782 1.00 0.00 H new ATOM 0 HE2 PHE A 592 -15.320 -0.638 -2.082 1.00 0.00 H new ATOM 0 HZ PHE A 592 -14.212 -2.679 -1.265 1.00 0.00 H new ATOM 870 N GLU A 593 -10.958 4.857 -1.413 1.00 0.00 N ATOM 871 CA GLU A 593 -10.314 6.126 -1.731 1.00 0.00 C ATOM 872 C GLU A 593 -9.593 6.699 -0.519 1.00 0.00 C ATOM 873 O GLU A 593 -8.467 7.181 -0.634 1.00 0.00 O ATOM 874 CB GLU A 593 -11.346 7.122 -2.252 1.00 0.00 C ATOM 875 CG GLU A 593 -11.732 6.886 -3.701 1.00 0.00 C ATOM 876 CD GLU A 593 -10.563 7.120 -4.637 1.00 0.00 C ATOM 877 OE1 GLU A 593 -10.186 8.294 -4.832 1.00 0.00 O ATOM 878 OE2 GLU A 593 -10.013 6.139 -5.179 1.00 0.00 O ATOM 0 H GLU A 593 -11.968 4.853 -1.556 1.00 0.00 H new ATOM 0 HA GLU A 593 -9.571 5.943 -2.507 1.00 0.00 H new ATOM 0 HB2 GLU A 593 -12.240 7.066 -1.631 1.00 0.00 H new ATOM 0 HB3 GLU A 593 -10.950 8.132 -2.149 1.00 0.00 H new ATOM 0 HG2 GLU A 593 -12.095 5.865 -3.820 1.00 0.00 H new ATOM 0 HG3 GLU A 593 -12.554 7.549 -3.972 1.00 0.00 H new ATOM 885 N HIS A 594 -10.232 6.632 0.643 1.00 0.00 N ATOM 886 CA HIS A 594 -9.586 7.044 1.885 1.00 0.00 C ATOM 887 C HIS A 594 -8.337 6.215 2.129 1.00 0.00 C ATOM 888 O HIS A 594 -7.287 6.742 2.494 1.00 0.00 O ATOM 889 CB HIS A 594 -10.529 6.885 3.081 1.00 0.00 C ATOM 890 CG HIS A 594 -11.322 8.108 3.422 1.00 0.00 C ATOM 891 ND1 HIS A 594 -10.842 9.105 4.240 1.00 0.00 N ATOM 892 CD2 HIS A 594 -12.580 8.474 3.088 1.00 0.00 C ATOM 893 CE1 HIS A 594 -11.769 10.031 4.395 1.00 0.00 C ATOM 894 NE2 HIS A 594 -12.834 9.673 3.706 1.00 0.00 N ATOM 0 H HIS A 594 -11.190 6.299 0.752 1.00 0.00 H new ATOM 0 HA HIS A 594 -9.319 8.096 1.783 1.00 0.00 H new ATOM 0 HB2 HIS A 594 -11.219 6.067 2.875 1.00 0.00 H new ATOM 0 HB3 HIS A 594 -9.942 6.595 3.952 1.00 0.00 H new ATOM 0 HD2 HIS A 594 -13.259 7.925 2.453 1.00 0.00 H new ATOM 0 HE1 HIS A 594 -11.672 10.930 4.986 1.00 0.00 H new ATOM 0 HE2 HIS A 594 -13.705 10.201 3.642 1.00 0.00 H new ATOM 903 N LYS A 595 -8.455 4.915 1.901 1.00 0.00 N ATOM 904 CA LYS A 595 -7.378 3.996 2.161 1.00 0.00 C ATOM 905 C LYS A 595 -6.242 4.228 1.182 1.00 0.00 C ATOM 906 O LYS A 595 -5.068 4.089 1.526 1.00 0.00 O ATOM 907 CB LYS A 595 -7.881 2.580 2.008 1.00 0.00 C ATOM 908 CG LYS A 595 -7.347 1.642 3.072 1.00 0.00 C ATOM 909 CD LYS A 595 -8.241 1.654 4.306 1.00 0.00 C ATOM 910 CE LYS A 595 -8.310 3.012 4.978 1.00 0.00 C ATOM 911 NZ LYS A 595 -9.155 2.991 6.199 1.00 0.00 N ATOM 0 H LYS A 595 -9.300 4.478 1.532 1.00 0.00 H new ATOM 0 HA LYS A 595 -7.014 4.156 3.176 1.00 0.00 H new ATOM 0 HB2 LYS A 595 -8.970 2.581 2.047 1.00 0.00 H new ATOM 0 HB3 LYS A 595 -7.597 2.204 1.025 1.00 0.00 H new ATOM 0 HG2 LYS A 595 -7.286 0.630 2.672 1.00 0.00 H new ATOM 0 HG3 LYS A 595 -6.335 1.938 3.348 1.00 0.00 H new ATOM 0 HD2 LYS A 595 -9.247 1.345 4.022 1.00 0.00 H new ATOM 0 HD3 LYS A 595 -7.872 0.919 5.022 1.00 0.00 H new ATOM 0 HE2 LYS A 595 -7.303 3.337 5.240 1.00 0.00 H new ATOM 0 HE3 LYS A 595 -8.708 3.744 4.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 595 -9.173 3.940 6.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 595 -10.123 2.706 5.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 595 -8.761 2.313 6.882 1.00 0.00 H new ATOM 925 N ARG A 596 -6.618 4.554 -0.049 1.00 0.00 N ATOM 926 CA ARG A 596 -5.663 4.867 -1.094 1.00 0.00 C ATOM 927 C ARG A 596 -4.783 6.017 -0.642 1.00 0.00 C ATOM 928 O ARG A 596 -3.565 5.953 -0.768 1.00 0.00 O ATOM 929 CB ARG A 596 -6.383 5.222 -2.401 1.00 0.00 C ATOM 930 CG ARG A 596 -5.484 5.195 -3.629 1.00 0.00 C ATOM 931 CD ARG A 596 -6.298 5.083 -4.913 1.00 0.00 C ATOM 932 NE ARG A 596 -7.190 6.227 -5.113 1.00 0.00 N ATOM 933 CZ ARG A 596 -6.834 7.360 -5.719 1.00 0.00 C ATOM 934 NH1 ARG A 596 -5.605 7.510 -6.200 1.00 0.00 N ATOM 935 NH2 ARG A 596 -7.720 8.340 -5.857 1.00 0.00 N ATOM 0 H ARG A 596 -7.592 4.607 -0.346 1.00 0.00 H new ATOM 0 HA ARG A 596 -5.042 3.991 -1.283 1.00 0.00 H new ATOM 0 HB2 ARG A 596 -7.207 4.525 -2.551 1.00 0.00 H new ATOM 0 HB3 ARG A 596 -6.820 6.216 -2.305 1.00 0.00 H new ATOM 0 HG2 ARG A 596 -4.879 6.101 -3.658 1.00 0.00 H new ATOM 0 HG3 ARG A 596 -4.795 4.353 -3.559 1.00 0.00 H new ATOM 0 HD2 ARG A 596 -5.620 5.002 -5.763 1.00 0.00 H new ATOM 0 HD3 ARG A 596 -6.888 4.167 -4.887 1.00 0.00 H new ATOM 0 HE ARG A 596 -8.146 6.152 -4.766 1.00 0.00 H new ATOM 0 HH11 ARG A 596 -4.925 6.755 -6.107 1.00 0.00 H new ATOM 0 HH12 ARG A 596 -5.341 8.380 -6.662 1.00 0.00 H new ATOM 0 HH21 ARG A 596 -8.668 8.224 -5.500 1.00 0.00 H new ATOM 0 HH22 ARG A 596 -7.452 9.208 -6.320 1.00 0.00 H new ATOM 949 N LYS A 597 -5.406 7.046 -0.063 1.00 0.00 N ATOM 950 CA LYS A 597 -4.666 8.199 0.436 1.00 0.00 C ATOM 951 C LYS A 597 -3.678 7.757 1.507 1.00 0.00 C ATOM 952 O LYS A 597 -2.522 8.170 1.507 1.00 0.00 O ATOM 953 CB LYS A 597 -5.600 9.271 1.020 1.00 0.00 C ATOM 954 CG LYS A 597 -6.780 9.653 0.129 1.00 0.00 C ATOM 955 CD LYS A 597 -6.390 9.757 -1.337 1.00 0.00 C ATOM 956 CE LYS A 597 -5.328 10.807 -1.579 1.00 0.00 C ATOM 957 NZ LYS A 597 -4.865 10.798 -2.988 1.00 0.00 N ATOM 0 H LYS A 597 -6.416 7.101 0.070 1.00 0.00 H new ATOM 0 HA LYS A 597 -4.134 8.636 -0.409 1.00 0.00 H new ATOM 0 HB2 LYS A 597 -5.986 8.914 1.975 1.00 0.00 H new ATOM 0 HB3 LYS A 597 -5.015 10.167 1.227 1.00 0.00 H new ATOM 0 HG2 LYS A 597 -7.571 8.911 0.240 1.00 0.00 H new ATOM 0 HG3 LYS A 597 -7.189 10.607 0.462 1.00 0.00 H new ATOM 0 HD2 LYS A 597 -6.026 8.790 -1.683 1.00 0.00 H new ATOM 0 HD3 LYS A 597 -7.274 9.995 -1.929 1.00 0.00 H new ATOM 0 HE2 LYS A 597 -5.725 11.791 -1.332 1.00 0.00 H new ATOM 0 HE3 LYS A 597 -4.481 10.629 -0.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 597 -4.521 11.745 -3.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 597 -4.094 10.108 -3.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 597 -5.655 10.535 -3.611 1.00 0.00 H new ATOM 971 N GLU A 598 -4.143 6.886 2.394 1.00 0.00 N ATOM 972 CA GLU A 598 -3.311 6.358 3.469 1.00 0.00 C ATOM 973 C GLU A 598 -2.098 5.639 2.910 1.00 0.00 C ATOM 974 O GLU A 598 -0.957 5.939 3.261 1.00 0.00 O ATOM 975 CB GLU A 598 -4.083 5.347 4.301 1.00 0.00 C ATOM 976 CG GLU A 598 -5.344 5.862 4.951 1.00 0.00 C ATOM 977 CD GLU A 598 -5.805 4.932 6.048 1.00 0.00 C ATOM 978 OE1 GLU A 598 -5.637 3.704 5.891 1.00 0.00 O ATOM 979 OE2 GLU A 598 -6.310 5.417 7.075 1.00 0.00 O ATOM 0 H GLU A 598 -5.098 6.528 2.390 1.00 0.00 H new ATOM 0 HA GLU A 598 -3.006 7.208 4.080 1.00 0.00 H new ATOM 0 HB2 GLU A 598 -4.344 4.502 3.663 1.00 0.00 H new ATOM 0 HB3 GLU A 598 -3.423 4.966 5.081 1.00 0.00 H new ATOM 0 HG2 GLU A 598 -5.166 6.856 5.362 1.00 0.00 H new ATOM 0 HG3 GLU A 598 -6.129 5.963 4.201 1.00 0.00 H new ATOM 986 N LEU A 599 -2.374 4.668 2.055 1.00 0.00 N ATOM 987 CA LEU A 599 -1.341 3.840 1.459 1.00 0.00 C ATOM 988 C LEU A 599 -0.361 4.719 0.679 1.00 0.00 C ATOM 989 O LEU A 599 0.850 4.537 0.775 1.00 0.00 O ATOM 990 CB LEU A 599 -1.996 2.783 0.556 1.00 0.00 C ATOM 991 CG LEU A 599 -1.139 1.562 0.197 1.00 0.00 C ATOM 992 CD1 LEU A 599 -0.034 1.932 -0.773 1.00 0.00 C ATOM 993 CD2 LEU A 599 -0.552 0.913 1.438 1.00 0.00 C ATOM 0 H LEU A 599 -3.320 4.432 1.755 1.00 0.00 H new ATOM 0 HA LEU A 599 -0.778 3.323 2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 599 -2.903 2.430 1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 599 -2.303 3.269 -0.370 1.00 0.00 H new ATOM 0 HG LEU A 599 -1.796 0.840 -0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 599 0.556 1.046 -1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 599 -0.472 2.330 -1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 599 0.610 2.687 -0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 599 0.049 0.051 1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 599 0.075 1.633 1.963 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -1.359 0.588 2.095 1.00 0.00 H new ATOM 1005 N GLU A 600 -0.888 5.691 -0.066 1.00 0.00 N ATOM 1006 CA GLU A 600 -0.043 6.646 -0.781 1.00 0.00 C ATOM 1007 C GLU A 600 0.902 7.349 0.184 1.00 0.00 C ATOM 1008 O GLU A 600 2.090 7.467 -0.089 1.00 0.00 O ATOM 1009 CB GLU A 600 -0.874 7.703 -1.523 1.00 0.00 C ATOM 1010 CG GLU A 600 -1.685 7.164 -2.690 1.00 0.00 C ATOM 1011 CD GLU A 600 -2.400 8.261 -3.456 1.00 0.00 C ATOM 1012 OE1 GLU A 600 -1.765 8.891 -4.335 1.00 0.00 O ATOM 1013 OE2 GLU A 600 -3.590 8.509 -3.185 1.00 0.00 O ATOM 0 H GLU A 600 -1.890 5.837 -0.189 1.00 0.00 H new ATOM 0 HA GLU A 600 0.528 6.077 -1.514 1.00 0.00 H new ATOM 0 HB2 GLU A 600 -1.553 8.177 -0.814 1.00 0.00 H new ATOM 0 HB3 GLU A 600 -0.204 8.480 -1.891 1.00 0.00 H new ATOM 0 HG2 GLU A 600 -1.025 6.623 -3.368 1.00 0.00 H new ATOM 0 HG3 GLU A 600 -2.418 6.447 -2.319 1.00 0.00 H new ATOM 1020 N GLN A 601 0.378 7.790 1.321 1.00 0.00 N ATOM 1021 CA GLN A 601 1.176 8.525 2.297 1.00 0.00 C ATOM 1022 C GLN A 601 2.273 7.656 2.914 1.00 0.00 C ATOM 1023 O GLN A 601 3.314 8.172 3.309 1.00 0.00 O ATOM 1024 CB GLN A 601 0.290 9.103 3.401 1.00 0.00 C ATOM 1025 CG GLN A 601 -0.752 10.085 2.892 1.00 0.00 C ATOM 1026 CD GLN A 601 -1.504 10.776 4.009 1.00 0.00 C ATOM 1027 OE1 GLN A 601 -2.520 10.277 4.496 1.00 0.00 O ATOM 1028 NE2 GLN A 601 -1.020 11.939 4.411 1.00 0.00 N ATOM 0 H GLN A 601 -0.596 7.652 1.591 1.00 0.00 H new ATOM 0 HA GLN A 601 1.658 9.342 1.759 1.00 0.00 H new ATOM 0 HB2 GLN A 601 -0.214 8.285 3.916 1.00 0.00 H new ATOM 0 HB3 GLN A 601 0.920 9.603 4.137 1.00 0.00 H new ATOM 0 HG2 GLN A 601 -0.264 10.836 2.271 1.00 0.00 H new ATOM 0 HG3 GLN A 601 -1.462 9.557 2.255 1.00 0.00 H new ATOM 0 HE21 GLN A 601 -0.176 12.316 3.981 1.00 0.00 H new ATOM 0 HE22 GLN A 601 -1.491 12.459 5.151 1.00 0.00 H new ATOM 1037 N VAL A 602 2.043 6.346 3.011 1.00 0.00 N ATOM 1038 CA VAL A 602 3.056 5.451 3.569 1.00 0.00 C ATOM 1039 C VAL A 602 4.174 5.204 2.553 1.00 0.00 C ATOM 1040 O VAL A 602 5.349 5.143 2.913 1.00 0.00 O ATOM 1041 CB VAL A 602 2.462 4.096 4.041 1.00 0.00 C ATOM 1042 CG1 VAL A 602 2.328 3.105 2.900 1.00 0.00 C ATOM 1043 CG2 VAL A 602 3.308 3.498 5.153 1.00 0.00 C ATOM 0 H VAL A 602 1.181 5.888 2.716 1.00 0.00 H new ATOM 0 HA VAL A 602 3.465 5.951 4.447 1.00 0.00 H new ATOM 0 HB VAL A 602 1.462 4.301 4.422 1.00 0.00 H new ATOM 0 HG11 VAL A 602 1.909 2.172 3.276 1.00 0.00 H new ATOM 0 HG12 VAL A 602 1.669 3.517 2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 602 3.310 2.913 2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 602 2.875 2.549 5.470 1.00 0.00 H new ATOM 0 HG22 VAL A 602 4.322 3.331 4.789 1.00 0.00 H new ATOM 0 HG23 VAL A 602 3.335 4.185 5.999 1.00 0.00 H new ATOM 1053 N CYS A 603 3.797 5.064 1.286 1.00 0.00 N ATOM 1054 CA CYS A 603 4.757 4.809 0.220 1.00 0.00 C ATOM 1055 C CYS A 603 5.413 6.104 -0.264 1.00 0.00 C ATOM 1056 O CYS A 603 6.522 6.080 -0.770 1.00 0.00 O ATOM 1057 CB CYS A 603 4.090 4.077 -0.950 1.00 0.00 C ATOM 1058 SG CYS A 603 2.641 4.912 -1.641 1.00 0.00 S ATOM 0 H CYS A 603 2.828 5.123 0.972 1.00 0.00 H new ATOM 0 HA CYS A 603 5.539 4.170 0.629 1.00 0.00 H new ATOM 0 HB2 CYS A 603 4.826 3.942 -1.742 1.00 0.00 H new ATOM 0 HB3 CYS A 603 3.794 3.082 -0.617 1.00 0.00 H new ATOM 0 HG CYS A 603 1.626 4.749 -0.846 1.00 0.00 H new ATOM 1064 N ASN A 604 4.718 7.224 -0.113 1.00 0.00 N ATOM 1065 CA ASN A 604 5.199 8.526 -0.599 1.00 0.00 C ATOM 1066 C ASN A 604 6.642 8.841 -0.159 1.00 0.00 C ATOM 1067 O ASN A 604 7.484 9.120 -1.013 1.00 0.00 O ATOM 1068 CB ASN A 604 4.244 9.640 -0.144 1.00 0.00 C ATOM 1069 CG ASN A 604 4.731 11.030 -0.498 1.00 0.00 C ATOM 1070 OD1 ASN A 604 5.316 11.256 -1.555 1.00 0.00 O ATOM 1071 ND2 ASN A 604 4.502 11.972 0.404 1.00 0.00 N ATOM 0 H ASN A 604 3.808 7.264 0.347 1.00 0.00 H new ATOM 0 HA ASN A 604 5.214 8.473 -1.688 1.00 0.00 H new ATOM 0 HB2 ASN A 604 3.266 9.479 -0.598 1.00 0.00 H new ATOM 0 HB3 ASN A 604 4.109 9.574 0.936 1.00 0.00 H new ATOM 0 HD21 ASN A 604 4.815 12.928 0.234 1.00 0.00 H new ATOM 0 HD22 ASN A 604 4.013 11.742 1.269 1.00 0.00 H new ATOM 1078 N PRO A 605 6.974 8.792 1.156 1.00 0.00 N ATOM 1079 CA PRO A 605 8.336 9.087 1.636 1.00 0.00 C ATOM 1080 C PRO A 605 9.373 8.134 1.058 1.00 0.00 C ATOM 1081 O PRO A 605 10.564 8.440 1.003 1.00 0.00 O ATOM 1082 CB PRO A 605 8.238 8.905 3.151 1.00 0.00 C ATOM 1083 CG PRO A 605 6.796 9.079 3.443 1.00 0.00 C ATOM 1084 CD PRO A 605 6.087 8.457 2.281 1.00 0.00 C ATOM 0 HA PRO A 605 8.660 10.083 1.335 1.00 0.00 H new ATOM 0 HB2 PRO A 605 8.591 7.920 3.458 1.00 0.00 H new ATOM 0 HB3 PRO A 605 8.844 9.640 3.681 1.00 0.00 H new ATOM 0 HG2 PRO A 605 6.521 8.593 4.379 1.00 0.00 H new ATOM 0 HG3 PRO A 605 6.538 10.133 3.544 1.00 0.00 H new ATOM 0 HD2 PRO A 605 5.974 7.380 2.403 1.00 0.00 H new ATOM 0 HD3 PRO A 605 5.087 8.869 2.147 1.00 0.00 H new ATOM 1092 N ILE A 606 8.902 6.978 0.633 1.00 0.00 N ATOM 1093 CA ILE A 606 9.759 5.952 0.083 1.00 0.00 C ATOM 1094 C ILE A 606 9.870 6.116 -1.438 1.00 0.00 C ATOM 1095 O ILE A 606 10.950 5.993 -2.012 1.00 0.00 O ATOM 1096 CB ILE A 606 9.225 4.547 0.467 1.00 0.00 C ATOM 1097 CG1 ILE A 606 8.593 3.840 -0.731 1.00 0.00 C ATOM 1098 CG2 ILE A 606 8.227 4.646 1.617 1.00 0.00 C ATOM 1099 CD1 ILE A 606 7.649 2.724 -0.359 1.00 0.00 C ATOM 0 H ILE A 606 7.914 6.726 0.660 1.00 0.00 H new ATOM 0 HA ILE A 606 10.759 6.055 0.504 1.00 0.00 H new ATOM 0 HB ILE A 606 10.076 3.950 0.794 1.00 0.00 H new ATOM 0 HG12 ILE A 606 8.053 4.574 -1.329 1.00 0.00 H new ATOM 0 HG13 ILE A 606 9.386 3.436 -1.361 1.00 0.00 H new ATOM 0 HG21 ILE A 606 7.864 3.650 1.871 1.00 0.00 H new ATOM 0 HG22 ILE A 606 8.716 5.087 2.486 1.00 0.00 H new ATOM 0 HG23 ILE A 606 7.387 5.272 1.317 1.00 0.00 H new ATOM 0 HD11 ILE A 606 7.243 2.274 -1.265 1.00 0.00 H new ATOM 0 HD12 ILE A 606 8.187 1.968 0.213 1.00 0.00 H new ATOM 0 HD13 ILE A 606 6.834 3.123 0.245 1.00 0.00 H new ATOM 1111 N ILE A 607 8.744 6.441 -2.068 1.00 0.00 N ATOM 1112 CA ILE A 607 8.657 6.596 -3.512 1.00 0.00 C ATOM 1113 C ILE A 607 9.492 7.782 -3.991 1.00 0.00 C ATOM 1114 O ILE A 607 10.027 7.763 -5.100 1.00 0.00 O ATOM 1115 CB ILE A 607 7.172 6.737 -3.960 1.00 0.00 C ATOM 1116 CG1 ILE A 607 6.660 5.413 -4.541 1.00 0.00 C ATOM 1117 CG2 ILE A 607 6.976 7.865 -4.961 1.00 0.00 C ATOM 1118 CD1 ILE A 607 6.642 4.271 -3.547 1.00 0.00 C ATOM 0 H ILE A 607 7.861 6.605 -1.584 1.00 0.00 H new ATOM 0 HA ILE A 607 9.067 5.698 -3.974 1.00 0.00 H new ATOM 0 HB ILE A 607 6.591 6.988 -3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 607 5.651 5.563 -4.925 1.00 0.00 H new ATOM 0 HG13 ILE A 607 7.286 5.134 -5.389 1.00 0.00 H new ATOM 0 HG21 ILE A 607 5.925 7.923 -5.243 1.00 0.00 H new ATOM 0 HG22 ILE A 607 7.284 8.809 -4.511 1.00 0.00 H new ATOM 0 HG23 ILE A 607 7.579 7.673 -5.848 1.00 0.00 H new ATOM 0 HD11 ILE A 607 6.268 3.371 -4.034 1.00 0.00 H new ATOM 0 HD12 ILE A 607 7.653 4.092 -3.180 1.00 0.00 H new ATOM 0 HD13 ILE A 607 5.993 4.527 -2.710 1.00 0.00 H new ATOM 1130 N SER A 608 9.632 8.793 -3.143 1.00 0.00 N ATOM 1131 CA SER A 608 10.445 9.953 -3.479 1.00 0.00 C ATOM 1132 C SER A 608 11.924 9.575 -3.584 1.00 0.00 C ATOM 1133 O SER A 608 12.724 10.313 -4.158 1.00 0.00 O ATOM 1134 CB SER A 608 10.241 11.057 -2.442 1.00 0.00 C ATOM 1135 OG SER A 608 10.266 10.534 -1.124 1.00 0.00 O ATOM 0 H SER A 608 9.195 8.833 -2.222 1.00 0.00 H new ATOM 0 HA SER A 608 10.127 10.325 -4.453 1.00 0.00 H new ATOM 0 HB2 SER A 608 11.020 11.811 -2.552 1.00 0.00 H new ATOM 0 HB3 SER A 608 9.288 11.555 -2.620 1.00 0.00 H new ATOM 0 HG SER A 608 10.135 11.262 -0.481 1.00 0.00 H new ATOM 1141 N GLY A 609 12.276 8.417 -3.036 1.00 0.00 N ATOM 1142 CA GLY A 609 13.642 7.941 -3.114 1.00 0.00 C ATOM 1143 C GLY A 609 13.765 6.690 -3.959 1.00 0.00 C ATOM 1144 O GLY A 609 14.808 6.037 -3.964 1.00 0.00 O ATOM 0 H GLY A 609 11.636 7.798 -2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 609 14.274 8.724 -3.533 1.00 0.00 H new ATOM 0 HA3 GLY A 609 14.012 7.736 -2.109 1.00 0.00 H new ATOM 1148 N LEU A 610 12.695 6.357 -4.671 1.00 0.00 N ATOM 1149 CA LEU A 610 12.678 5.183 -5.530 1.00 0.00 C ATOM 1150 C LEU A 610 12.752 5.590 -6.995 1.00 0.00 C ATOM 1151 O LEU A 610 11.709 5.987 -7.560 1.00 0.00 O ATOM 1152 CB LEU A 610 11.420 4.347 -5.280 1.00 0.00 C ATOM 1153 CG LEU A 610 11.356 3.647 -3.921 1.00 0.00 C ATOM 1154 CD1 LEU A 610 10.122 2.763 -3.840 1.00 0.00 C ATOM 1155 CD2 LEU A 610 12.616 2.830 -3.676 1.00 0.00 C ATOM 1156 OXT LEU A 610 13.853 5.518 -7.577 1.00 0.00 O ATOM 0 H LEU A 610 11.824 6.888 -4.669 1.00 0.00 H new ATOM 0 HA LEU A 610 13.552 4.577 -5.291 1.00 0.00 H new ATOM 0 HB2 LEU A 610 10.549 4.995 -5.377 1.00 0.00 H new ATOM 0 HB3 LEU A 610 11.345 3.592 -6.062 1.00 0.00 H new ATOM 0 HG LEU A 610 11.289 4.409 -3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 610 10.090 2.271 -2.868 1.00 0.00 H new ATOM 0 HD12 LEU A 610 9.228 3.373 -3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 610 10.162 2.009 -4.626 1.00 0.00 H new ATOM 0 HD21 LEU A 610 12.549 2.341 -2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 610 12.718 2.075 -4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 610 13.485 3.488 -3.692 1.00 0.00 H new TER 1168 LEU A 610