USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=22 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 Single : A 537 SER OG : rot 25:sc= 0.154 USER MOD Single : A 539 LYS NZ :NH3+ -119:sc= 0.0421 (180deg=0) USER MOD Single : A 540 ASN : amide:sc= -0.113 K(o=-0.11,f=-2.2!) USER MOD Single : A 544 SER OG : rot 86:sc= 0.327 USER MOD Single : A 545 TYR OH : rot 180:sc=-0.00131 USER MOD Single : A 548 ASN : amide:sc= -0.2 K(o=-0.2,f=-1.9!) USER MOD Single : A 549 MET CE :methyl 143:sc= -0.962 (180deg=-2.51!) USER MOD Single : A 550 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.671) USER MOD Single : A 551 SER OG : rot 180:sc= 0 USER MOD Single : A 559 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0186) USER MOD Single : A 561 LYS NZ :NH3+ -163:sc= -0.049 (180deg=-0.323) USER MOD Single : A 563 SER OG : rot 180:sc= 0 USER MOD Single : A 567 LYS NZ :NH3+ 178:sc= 1.28 (180deg=1.2) USER MOD Single : A 568 LYS NZ :NH3+ 171:sc=-0.00865 (180deg=-0.12) USER MOD Single : A 569 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 573 LYS NZ :NH3+ -140:sc= 0.0924 (180deg=-2.7!) USER MOD Single : A 574 CYS SG : rot 140:sc= -9.75! USER MOD Single : A 575 GLN : amide:sc= -1.03 K(o=-1,f=-0.36) USER MOD Single : A 579 SER OG : rot 82:sc= 0.358 USER MOD Single : A 584 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 585 THR OG1 : rot 180:sc= -0.317 USER MOD Single : A 589 LYS NZ :NH3+ -148:sc= 1.31 (180deg=0.902) USER MOD Single : A 594 HIS : no HE2:sc= 0.0501 K(o=0.05,f=-0.67) USER MOD Single : A 595 LYS NZ :NH3+ -139:sc= 0.253 (180deg=-1.43!) USER MOD Single : A 597 LYS NZ :NH3+ -135:sc= 0.0239 (180deg=-0.117) USER MOD Single : A 601 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 603 CYS SG : rot -83:sc= -2.72! USER MOD Single : A 604 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 608 SER OG : rot 75:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 537 -14.426 -0.074 -9.204 1.00 0.00 N ATOM 2 CA SER A 537 -13.311 -1.037 -9.071 1.00 0.00 C ATOM 3 C SER A 537 -12.236 -0.512 -8.120 1.00 0.00 C ATOM 4 O SER A 537 -11.041 -0.748 -8.326 1.00 0.00 O ATOM 5 CB SER A 537 -12.695 -1.301 -10.442 1.00 0.00 C ATOM 6 OG SER A 537 -13.681 -1.704 -11.378 1.00 0.00 O ATOM 0 HA SER A 537 -13.710 -1.964 -8.658 1.00 0.00 H new ATOM 0 HB2 SER A 537 -12.197 -0.400 -10.800 1.00 0.00 H new ATOM 0 HB3 SER A 537 -11.932 -2.075 -10.358 1.00 0.00 H new ATOM 0 HG SER A 537 -14.556 -1.359 -11.101 1.00 0.00 H new ATOM 12 N ALA A 538 -12.661 0.172 -7.063 1.00 0.00 N ATOM 13 CA ALA A 538 -11.725 0.801 -6.142 1.00 0.00 C ATOM 14 C ALA A 538 -10.974 -0.238 -5.326 1.00 0.00 C ATOM 15 O ALA A 538 -9.842 0.000 -4.918 1.00 0.00 O ATOM 16 CB ALA A 538 -12.439 1.787 -5.225 1.00 0.00 C ATOM 0 H ALA A 538 -13.644 0.304 -6.824 1.00 0.00 H new ATOM 0 HA ALA A 538 -10.998 1.353 -6.738 1.00 0.00 H new ATOM 0 HB1 ALA A 538 -11.717 2.242 -4.547 1.00 0.00 H new ATOM 0 HB2 ALA A 538 -12.914 2.564 -5.825 1.00 0.00 H new ATOM 0 HB3 ALA A 538 -13.198 1.261 -4.646 1.00 0.00 H new ATOM 22 N LYS A 539 -11.590 -1.393 -5.099 1.00 0.00 N ATOM 23 CA LYS A 539 -10.938 -2.442 -4.324 1.00 0.00 C ATOM 24 C LYS A 539 -9.753 -2.992 -5.100 1.00 0.00 C ATOM 25 O LYS A 539 -8.657 -3.139 -4.561 1.00 0.00 O ATOM 26 CB LYS A 539 -11.907 -3.578 -3.984 1.00 0.00 C ATOM 27 CG LYS A 539 -11.362 -4.524 -2.923 1.00 0.00 C ATOM 28 CD LYS A 539 -11.369 -5.967 -3.381 1.00 0.00 C ATOM 29 CE LYS A 539 -10.519 -6.814 -2.454 1.00 0.00 C ATOM 30 NZ LYS A 539 -10.580 -8.261 -2.790 1.00 0.00 N ATOM 0 H LYS A 539 -12.525 -1.625 -5.434 1.00 0.00 H new ATOM 0 HA LYS A 539 -10.595 -2.003 -3.387 1.00 0.00 H new ATOM 0 HB2 LYS A 539 -12.849 -3.154 -3.636 1.00 0.00 H new ATOM 0 HB3 LYS A 539 -12.128 -4.144 -4.889 1.00 0.00 H new ATOM 0 HG2 LYS A 539 -10.344 -4.231 -2.667 1.00 0.00 H new ATOM 0 HG3 LYS A 539 -11.958 -4.430 -2.015 1.00 0.00 H new ATOM 0 HD2 LYS A 539 -12.391 -6.346 -3.397 1.00 0.00 H new ATOM 0 HD3 LYS A 539 -10.987 -6.035 -4.400 1.00 0.00 H new ATOM 0 HE2 LYS A 539 -9.484 -6.476 -2.505 1.00 0.00 H new ATOM 0 HE3 LYS A 539 -10.852 -6.668 -1.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 539 -10.967 -8.789 -1.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 539 -11.192 -8.399 -3.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 539 -9.623 -8.608 -3.004 1.00 0.00 H new ATOM 44 N ASN A 540 -9.987 -3.277 -6.376 1.00 0.00 N ATOM 45 CA ASN A 540 -8.955 -3.816 -7.253 1.00 0.00 C ATOM 46 C ASN A 540 -7.810 -2.825 -7.402 1.00 0.00 C ATOM 47 O ASN A 540 -6.640 -3.203 -7.348 1.00 0.00 O ATOM 48 CB ASN A 540 -9.536 -4.152 -8.629 1.00 0.00 C ATOM 49 CG ASN A 540 -10.545 -5.280 -8.597 1.00 0.00 C ATOM 50 OD1 ASN A 540 -11.173 -5.554 -7.574 1.00 0.00 O ATOM 51 ND2 ASN A 540 -10.733 -5.911 -9.737 1.00 0.00 N ATOM 0 H ASN A 540 -10.891 -3.142 -6.829 1.00 0.00 H new ATOM 0 HA ASN A 540 -8.572 -4.732 -6.802 1.00 0.00 H new ATOM 0 HB2 ASN A 540 -10.010 -3.262 -9.042 1.00 0.00 H new ATOM 0 HB3 ASN A 540 -8.723 -4.421 -9.303 1.00 0.00 H new ATOM 0 HD21 ASN A 540 -11.422 -6.661 -9.797 1.00 0.00 H new ATOM 0 HD22 ASN A 540 -10.190 -5.650 -10.560 1.00 0.00 H new ATOM 58 N ALA A 541 -8.157 -1.555 -7.578 1.00 0.00 N ATOM 59 CA ALA A 541 -7.161 -0.498 -7.675 1.00 0.00 C ATOM 60 C ALA A 541 -6.370 -0.393 -6.379 1.00 0.00 C ATOM 61 O ALA A 541 -5.149 -0.297 -6.395 1.00 0.00 O ATOM 62 CB ALA A 541 -7.826 0.831 -7.996 1.00 0.00 C ATOM 0 H ALA A 541 -9.122 -1.234 -7.656 1.00 0.00 H new ATOM 0 HA ALA A 541 -6.473 -0.746 -8.483 1.00 0.00 H new ATOM 0 HB1 ALA A 541 -7.067 1.610 -8.065 1.00 0.00 H new ATOM 0 HB2 ALA A 541 -8.354 0.753 -8.946 1.00 0.00 H new ATOM 0 HB3 ALA A 541 -8.534 1.083 -7.207 1.00 0.00 H new ATOM 68 N LEU A 542 -7.079 -0.440 -5.260 1.00 0.00 N ATOM 69 CA LEU A 542 -6.464 -0.312 -3.947 1.00 0.00 C ATOM 70 C LEU A 542 -5.505 -1.458 -3.669 1.00 0.00 C ATOM 71 O LEU A 542 -4.378 -1.241 -3.226 1.00 0.00 O ATOM 72 CB LEU A 542 -7.543 -0.290 -2.871 1.00 0.00 C ATOM 73 CG LEU A 542 -7.482 0.895 -1.918 1.00 0.00 C ATOM 74 CD1 LEU A 542 -6.166 0.920 -1.162 1.00 0.00 C ATOM 75 CD2 LEU A 542 -7.663 2.177 -2.690 1.00 0.00 C ATOM 0 H LEU A 542 -8.091 -0.567 -5.236 1.00 0.00 H new ATOM 0 HA LEU A 542 -5.901 0.621 -3.932 1.00 0.00 H new ATOM 0 HB2 LEU A 542 -8.519 -0.295 -3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 542 -7.472 -1.209 -2.289 1.00 0.00 H new ATOM 0 HG LEU A 542 -8.286 0.795 -1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 542 -6.150 1.777 -0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 542 -6.061 0.002 -0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 542 -5.341 0.999 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 542 -7.619 3.024 -2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 542 -6.871 2.269 -3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 542 -8.631 2.166 -3.191 1.00 0.00 H new ATOM 87 N GLU A 543 -5.960 -2.673 -3.935 1.00 0.00 N ATOM 88 CA GLU A 543 -5.175 -3.856 -3.664 1.00 0.00 C ATOM 89 C GLU A 543 -3.919 -3.860 -4.508 1.00 0.00 C ATOM 90 O GLU A 543 -2.818 -4.053 -3.999 1.00 0.00 O ATOM 91 CB GLU A 543 -5.989 -5.103 -3.963 1.00 0.00 C ATOM 92 CG GLU A 543 -5.704 -6.235 -3.003 1.00 0.00 C ATOM 93 CD GLU A 543 -6.321 -7.541 -3.451 1.00 0.00 C ATOM 94 OE1 GLU A 543 -5.662 -8.289 -4.203 1.00 0.00 O ATOM 95 OE2 GLU A 543 -7.471 -7.829 -3.059 1.00 0.00 O ATOM 0 H GLU A 543 -6.877 -2.861 -4.341 1.00 0.00 H new ATOM 0 HA GLU A 543 -4.896 -3.850 -2.610 1.00 0.00 H new ATOM 0 HB2 GLU A 543 -7.050 -4.857 -3.922 1.00 0.00 H new ATOM 0 HB3 GLU A 543 -5.778 -5.434 -4.980 1.00 0.00 H new ATOM 0 HG2 GLU A 543 -4.626 -6.361 -2.904 1.00 0.00 H new ATOM 0 HG3 GLU A 543 -6.087 -5.975 -2.016 1.00 0.00 H new ATOM 102 N SER A 544 -4.095 -3.623 -5.798 1.00 0.00 N ATOM 103 CA SER A 544 -2.978 -3.585 -6.724 1.00 0.00 C ATOM 104 C SER A 544 -2.038 -2.425 -6.402 1.00 0.00 C ATOM 105 O SER A 544 -0.834 -2.533 -6.591 1.00 0.00 O ATOM 106 CB SER A 544 -3.485 -3.486 -8.161 1.00 0.00 C ATOM 107 OG SER A 544 -4.282 -4.616 -8.489 1.00 0.00 O ATOM 0 H SER A 544 -5.005 -3.454 -6.227 1.00 0.00 H new ATOM 0 HA SER A 544 -2.414 -4.511 -6.617 1.00 0.00 H new ATOM 0 HB2 SER A 544 -4.069 -2.574 -8.284 1.00 0.00 H new ATOM 0 HB3 SER A 544 -2.640 -3.419 -8.847 1.00 0.00 H new ATOM 0 HG SER A 544 -5.208 -4.454 -8.213 1.00 0.00 H new ATOM 113 N TYR A 545 -2.594 -1.330 -5.896 1.00 0.00 N ATOM 114 CA TYR A 545 -1.793 -0.176 -5.492 1.00 0.00 C ATOM 115 C TYR A 545 -0.915 -0.552 -4.304 1.00 0.00 C ATOM 116 O TYR A 545 0.294 -0.312 -4.312 1.00 0.00 O ATOM 117 CB TYR A 545 -2.722 0.991 -5.123 1.00 0.00 C ATOM 118 CG TYR A 545 -2.044 2.334 -4.951 1.00 0.00 C ATOM 119 CD1 TYR A 545 -1.045 2.526 -4.007 1.00 0.00 C ATOM 120 CD2 TYR A 545 -2.420 3.414 -5.735 1.00 0.00 C ATOM 121 CE1 TYR A 545 -0.442 3.756 -3.848 1.00 0.00 C ATOM 122 CE2 TYR A 545 -1.819 4.649 -5.585 1.00 0.00 C ATOM 123 CZ TYR A 545 -0.828 4.815 -4.643 1.00 0.00 C ATOM 124 OH TYR A 545 -0.230 6.046 -4.491 1.00 0.00 O ATOM 0 H TYR A 545 -3.598 -1.215 -5.755 1.00 0.00 H new ATOM 0 HA TYR A 545 -1.152 0.132 -6.318 1.00 0.00 H new ATOM 0 HB2 TYR A 545 -3.484 1.085 -5.897 1.00 0.00 H new ATOM 0 HB3 TYR A 545 -3.238 0.743 -4.196 1.00 0.00 H new ATOM 0 HD1 TYR A 545 -0.735 1.698 -3.387 1.00 0.00 H new ATOM 0 HD2 TYR A 545 -3.196 3.288 -6.476 1.00 0.00 H new ATOM 0 HE1 TYR A 545 0.329 3.890 -3.104 1.00 0.00 H new ATOM 0 HE2 TYR A 545 -2.125 5.480 -6.203 1.00 0.00 H new ATOM 0 HH TYR A 545 -0.618 6.680 -5.130 1.00 0.00 H new ATOM 134 N ALA A 546 -1.524 -1.160 -3.292 1.00 0.00 N ATOM 135 CA ALA A 546 -0.784 -1.599 -2.125 1.00 0.00 C ATOM 136 C ALA A 546 0.229 -2.659 -2.536 1.00 0.00 C ATOM 137 O ALA A 546 1.397 -2.601 -2.147 1.00 0.00 O ATOM 138 CB ALA A 546 -1.737 -2.126 -1.058 1.00 0.00 C ATOM 0 H ALA A 546 -2.524 -1.357 -3.260 1.00 0.00 H new ATOM 0 HA ALA A 546 -0.246 -0.754 -1.696 1.00 0.00 H new ATOM 0 HB1 ALA A 546 -1.166 -2.452 -0.189 1.00 0.00 H new ATOM 0 HB2 ALA A 546 -2.427 -1.335 -0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 546 -2.301 -2.969 -1.458 1.00 0.00 H new ATOM 144 N PHE A 547 -0.229 -3.597 -3.363 1.00 0.00 N ATOM 145 CA PHE A 547 0.628 -4.636 -3.916 1.00 0.00 C ATOM 146 C PHE A 547 1.809 -4.018 -4.654 1.00 0.00 C ATOM 147 O PHE A 547 2.934 -4.488 -4.537 1.00 0.00 O ATOM 148 CB PHE A 547 -0.160 -5.523 -4.883 1.00 0.00 C ATOM 149 CG PHE A 547 -0.572 -6.856 -4.325 1.00 0.00 C ATOM 150 CD1 PHE A 547 -1.629 -6.965 -3.437 1.00 0.00 C ATOM 151 CD2 PHE A 547 0.089 -8.009 -4.714 1.00 0.00 C ATOM 152 CE1 PHE A 547 -2.015 -8.199 -2.946 1.00 0.00 C ATOM 153 CE2 PHE A 547 -0.290 -9.242 -4.225 1.00 0.00 C ATOM 154 CZ PHE A 547 -1.344 -9.339 -3.339 1.00 0.00 C ATOM 0 H PHE A 547 -1.201 -3.656 -3.666 1.00 0.00 H new ATOM 0 HA PHE A 547 0.997 -5.242 -3.089 1.00 0.00 H new ATOM 0 HB2 PHE A 547 -1.054 -4.986 -5.199 1.00 0.00 H new ATOM 0 HB3 PHE A 547 0.444 -5.690 -5.775 1.00 0.00 H new ATOM 0 HD1 PHE A 547 -2.158 -6.077 -3.124 1.00 0.00 H new ATOM 0 HD2 PHE A 547 0.912 -7.942 -5.410 1.00 0.00 H new ATOM 0 HE1 PHE A 547 -2.842 -8.270 -2.255 1.00 0.00 H new ATOM 0 HE2 PHE A 547 0.238 -10.132 -4.535 1.00 0.00 H new ATOM 0 HZ PHE A 547 -1.642 -10.303 -2.955 1.00 0.00 H new ATOM 164 N ASN A 548 1.536 -2.954 -5.406 1.00 0.00 N ATOM 165 CA ASN A 548 2.565 -2.261 -6.176 1.00 0.00 C ATOM 166 C ASN A 548 3.671 -1.729 -5.279 1.00 0.00 C ATOM 167 O ASN A 548 4.847 -1.973 -5.534 1.00 0.00 O ATOM 168 CB ASN A 548 1.967 -1.103 -6.985 1.00 0.00 C ATOM 169 CG ASN A 548 1.424 -1.538 -8.332 1.00 0.00 C ATOM 170 OD1 ASN A 548 1.854 -2.543 -8.898 1.00 0.00 O ATOM 171 ND2 ASN A 548 0.495 -0.763 -8.870 1.00 0.00 N ATOM 0 H ASN A 548 0.604 -2.551 -5.498 1.00 0.00 H new ATOM 0 HA ASN A 548 2.991 -2.993 -6.862 1.00 0.00 H new ATOM 0 HB2 ASN A 548 1.166 -0.641 -6.409 1.00 0.00 H new ATOM 0 HB3 ASN A 548 2.731 -0.341 -7.137 1.00 0.00 H new ATOM 0 HD21 ASN A 548 0.109 -0.990 -9.786 1.00 0.00 H new ATOM 0 HD22 ASN A 548 0.165 0.061 -8.368 1.00 0.00 H new ATOM 178 N MET A 549 3.297 -1.017 -4.220 1.00 0.00 N ATOM 179 CA MET A 549 4.278 -0.432 -3.318 1.00 0.00 C ATOM 180 C MET A 549 5.038 -1.529 -2.586 1.00 0.00 C ATOM 181 O MET A 549 6.261 -1.483 -2.455 1.00 0.00 O ATOM 182 CB MET A 549 3.575 0.478 -2.318 1.00 0.00 C ATOM 183 CG MET A 549 2.653 1.504 -2.960 1.00 0.00 C ATOM 184 SD MET A 549 3.522 2.757 -3.927 1.00 0.00 S ATOM 185 CE MET A 549 3.684 1.939 -5.506 1.00 0.00 C ATOM 0 H MET A 549 2.326 -0.833 -3.968 1.00 0.00 H new ATOM 0 HA MET A 549 4.990 0.156 -3.897 1.00 0.00 H new ATOM 0 HB2 MET A 549 2.995 -0.136 -1.628 1.00 0.00 H new ATOM 0 HB3 MET A 549 4.327 1.000 -1.726 1.00 0.00 H new ATOM 0 HG2 MET A 549 1.943 0.987 -3.606 1.00 0.00 H new ATOM 0 HG3 MET A 549 2.074 1.997 -2.180 1.00 0.00 H new ATOM 0 HE1 MET A 549 3.563 2.668 -6.307 1.00 0.00 H new ATOM 0 HE2 MET A 549 4.670 1.480 -5.579 1.00 0.00 H new ATOM 0 HE3 MET A 549 2.918 1.169 -5.597 1.00 0.00 H new ATOM 195 N LYS A 550 4.287 -2.516 -2.129 1.00 0.00 N ATOM 196 CA LYS A 550 4.836 -3.679 -1.447 1.00 0.00 C ATOM 197 C LYS A 550 5.821 -4.435 -2.338 1.00 0.00 C ATOM 198 O LYS A 550 6.935 -4.748 -1.921 1.00 0.00 O ATOM 199 CB LYS A 550 3.668 -4.565 -1.001 1.00 0.00 C ATOM 200 CG LYS A 550 3.997 -6.021 -0.743 1.00 0.00 C ATOM 201 CD LYS A 550 2.885 -6.665 0.066 1.00 0.00 C ATOM 202 CE LYS A 550 3.072 -6.421 1.555 1.00 0.00 C ATOM 203 NZ LYS A 550 3.848 -7.516 2.195 1.00 0.00 N ATOM 0 H LYS A 550 3.271 -2.535 -2.221 1.00 0.00 H new ATOM 0 HA LYS A 550 5.405 -3.364 -0.572 1.00 0.00 H new ATOM 0 HB2 LYS A 550 3.245 -4.142 -0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 550 2.891 -4.519 -1.764 1.00 0.00 H new ATOM 0 HG2 LYS A 550 4.123 -6.548 -1.689 1.00 0.00 H new ATOM 0 HG3 LYS A 550 4.942 -6.100 -0.206 1.00 0.00 H new ATOM 0 HD2 LYS A 550 1.922 -6.265 -0.252 1.00 0.00 H new ATOM 0 HD3 LYS A 550 2.865 -7.737 -0.129 1.00 0.00 H new ATOM 0 HE2 LYS A 550 3.587 -5.472 1.707 1.00 0.00 H new ATOM 0 HE3 LYS A 550 2.097 -6.336 2.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 550 4.260 -7.174 3.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 550 3.218 -8.320 2.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 550 4.610 -7.821 1.556 1.00 0.00 H new ATOM 217 N SER A 551 5.414 -4.708 -3.563 1.00 0.00 N ATOM 218 CA SER A 551 6.257 -5.412 -4.517 1.00 0.00 C ATOM 219 C SER A 551 7.471 -4.564 -4.901 1.00 0.00 C ATOM 220 O SER A 551 8.551 -5.096 -5.137 1.00 0.00 O ATOM 221 CB SER A 551 5.440 -5.780 -5.760 1.00 0.00 C ATOM 222 OG SER A 551 6.073 -6.794 -6.524 1.00 0.00 O ATOM 0 H SER A 551 4.496 -4.451 -3.926 1.00 0.00 H new ATOM 0 HA SER A 551 6.623 -6.327 -4.051 1.00 0.00 H new ATOM 0 HB2 SER A 551 4.449 -6.118 -5.457 1.00 0.00 H new ATOM 0 HB3 SER A 551 5.299 -4.893 -6.378 1.00 0.00 H new ATOM 0 HG SER A 551 5.523 -7.004 -7.308 1.00 0.00 H new ATOM 228 N ALA A 552 7.282 -3.249 -4.984 1.00 0.00 N ATOM 229 CA ALA A 552 8.361 -2.340 -5.366 1.00 0.00 C ATOM 230 C ALA A 552 9.495 -2.325 -4.338 1.00 0.00 C ATOM 231 O ALA A 552 10.666 -2.395 -4.696 1.00 0.00 O ATOM 232 CB ALA A 552 7.820 -0.934 -5.571 1.00 0.00 C ATOM 0 H ALA A 552 6.392 -2.789 -4.792 1.00 0.00 H new ATOM 0 HA ALA A 552 8.776 -2.708 -6.304 1.00 0.00 H new ATOM 0 HB1 ALA A 552 8.635 -0.268 -5.855 1.00 0.00 H new ATOM 0 HB2 ALA A 552 7.068 -0.945 -6.360 1.00 0.00 H new ATOM 0 HB3 ALA A 552 7.368 -0.579 -4.645 1.00 0.00 H new ATOM 238 N VAL A 553 9.148 -2.242 -3.062 1.00 0.00 N ATOM 239 CA VAL A 553 10.159 -2.184 -2.005 1.00 0.00 C ATOM 240 C VAL A 553 10.801 -3.543 -1.787 1.00 0.00 C ATOM 241 O VAL A 553 11.995 -3.649 -1.511 1.00 0.00 O ATOM 242 CB VAL A 553 9.551 -1.691 -0.688 1.00 0.00 C ATOM 243 CG1 VAL A 553 9.057 -0.283 -0.887 1.00 0.00 C ATOM 244 CG2 VAL A 553 8.421 -2.595 -0.218 1.00 0.00 C ATOM 0 H VAL A 553 8.184 -2.213 -2.731 1.00 0.00 H new ATOM 0 HA VAL A 553 10.924 -1.479 -2.329 1.00 0.00 H new ATOM 0 HB VAL A 553 10.317 -1.713 0.088 1.00 0.00 H new ATOM 0 HG11 VAL A 553 8.620 0.084 0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 553 9.891 0.358 -1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 553 8.302 -0.270 -1.673 1.00 0.00 H new ATOM 0 HG21 VAL A 553 8.015 -2.213 0.719 1.00 0.00 H new ATOM 0 HG22 VAL A 553 7.634 -2.616 -0.972 1.00 0.00 H new ATOM 0 HG23 VAL A 553 8.803 -3.604 -0.063 1.00 0.00 H new ATOM 254 N GLU A 554 9.988 -4.575 -1.927 1.00 0.00 N ATOM 255 CA GLU A 554 10.420 -5.947 -1.754 1.00 0.00 C ATOM 256 C GLU A 554 10.999 -6.528 -3.045 1.00 0.00 C ATOM 257 O GLU A 554 11.314 -7.716 -3.125 1.00 0.00 O ATOM 258 CB GLU A 554 9.229 -6.758 -1.266 1.00 0.00 C ATOM 259 CG GLU A 554 9.287 -7.056 0.218 1.00 0.00 C ATOM 260 CD GLU A 554 10.369 -8.047 0.593 1.00 0.00 C ATOM 261 OE1 GLU A 554 10.105 -9.267 0.544 1.00 0.00 O ATOM 262 OE2 GLU A 554 11.480 -7.608 0.969 1.00 0.00 O ATOM 0 H GLU A 554 9.001 -4.481 -2.166 1.00 0.00 H new ATOM 0 HA GLU A 554 11.224 -5.986 -1.019 1.00 0.00 H new ATOM 0 HB2 GLU A 554 8.311 -6.214 -1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 554 9.184 -7.697 -1.818 1.00 0.00 H new ATOM 0 HG2 GLU A 554 9.453 -6.126 0.761 1.00 0.00 H new ATOM 0 HG3 GLU A 554 8.321 -7.445 0.540 1.00 0.00 H new ATOM 269 N ASP A 555 11.111 -5.683 -4.057 1.00 0.00 N ATOM 270 CA ASP A 555 11.691 -6.072 -5.342 1.00 0.00 C ATOM 271 C ASP A 555 13.186 -6.343 -5.210 1.00 0.00 C ATOM 272 O ASP A 555 13.906 -5.613 -4.533 1.00 0.00 O ATOM 273 CB ASP A 555 11.458 -4.974 -6.384 1.00 0.00 C ATOM 274 CG ASP A 555 11.977 -5.347 -7.756 1.00 0.00 C ATOM 275 OD1 ASP A 555 11.267 -6.062 -8.492 1.00 0.00 O ATOM 276 OD2 ASP A 555 13.094 -4.927 -8.108 1.00 0.00 O ATOM 0 H ASP A 555 10.805 -4.711 -4.016 1.00 0.00 H new ATOM 0 HA ASP A 555 11.199 -6.989 -5.666 1.00 0.00 H new ATOM 0 HB2 ASP A 555 10.391 -4.762 -6.450 1.00 0.00 H new ATOM 0 HB3 ASP A 555 11.945 -4.057 -6.053 1.00 0.00 H new ATOM 281 N GLU A 556 13.645 -7.399 -5.871 1.00 0.00 N ATOM 282 CA GLU A 556 15.045 -7.812 -5.806 1.00 0.00 C ATOM 283 C GLU A 556 15.979 -6.840 -6.526 1.00 0.00 C ATOM 284 O GLU A 556 17.197 -6.925 -6.380 1.00 0.00 O ATOM 285 CB GLU A 556 15.211 -9.207 -6.396 1.00 0.00 C ATOM 286 CG GLU A 556 14.626 -10.308 -5.531 1.00 0.00 C ATOM 287 CD GLU A 556 15.498 -10.629 -4.336 1.00 0.00 C ATOM 288 OE1 GLU A 556 15.369 -9.953 -3.295 1.00 0.00 O ATOM 289 OE2 GLU A 556 16.326 -11.559 -4.433 1.00 0.00 O ATOM 0 H GLU A 556 13.063 -7.991 -6.464 1.00 0.00 H new ATOM 0 HA GLU A 556 15.323 -7.816 -4.752 1.00 0.00 H new ATOM 0 HB2 GLU A 556 14.736 -9.236 -7.377 1.00 0.00 H new ATOM 0 HB3 GLU A 556 16.272 -9.403 -6.550 1.00 0.00 H new ATOM 0 HG2 GLU A 556 13.637 -10.008 -5.185 1.00 0.00 H new ATOM 0 HG3 GLU A 556 14.494 -11.207 -6.133 1.00 0.00 H new ATOM 296 N GLY A 557 15.422 -5.930 -7.303 1.00 0.00 N ATOM 297 CA GLY A 557 16.243 -4.950 -7.981 1.00 0.00 C ATOM 298 C GLY A 557 16.201 -3.620 -7.268 1.00 0.00 C ATOM 299 O GLY A 557 17.184 -2.878 -7.247 1.00 0.00 O ATOM 0 H GLY A 557 14.420 -5.850 -7.478 1.00 0.00 H new ATOM 0 HA2 GLY A 557 17.272 -5.306 -8.033 1.00 0.00 H new ATOM 0 HA3 GLY A 557 15.896 -4.827 -9.007 1.00 0.00 H new ATOM 303 N LEU A 558 15.061 -3.330 -6.662 1.00 0.00 N ATOM 304 CA LEU A 558 14.889 -2.099 -5.911 1.00 0.00 C ATOM 305 C LEU A 558 15.344 -2.259 -4.467 1.00 0.00 C ATOM 306 O LEU A 558 15.395 -1.288 -3.713 1.00 0.00 O ATOM 307 CB LEU A 558 13.439 -1.644 -5.964 1.00 0.00 C ATOM 308 CG LEU A 558 13.056 -0.890 -7.241 1.00 0.00 C ATOM 309 CD1 LEU A 558 11.557 -0.945 -7.456 1.00 0.00 C ATOM 310 CD2 LEU A 558 13.524 0.555 -7.167 1.00 0.00 C ATOM 0 H LEU A 558 14.239 -3.933 -6.676 1.00 0.00 H new ATOM 0 HA LEU A 558 15.515 -1.336 -6.374 1.00 0.00 H new ATOM 0 HB2 LEU A 558 12.794 -2.517 -5.865 1.00 0.00 H new ATOM 0 HB3 LEU A 558 13.241 -1.003 -5.105 1.00 0.00 H new ATOM 0 HG LEU A 558 13.548 -1.371 -8.086 1.00 0.00 H new ATOM 0 HD11 LEU A 558 11.300 -0.405 -8.367 1.00 0.00 H new ATOM 0 HD12 LEU A 558 11.241 -1.984 -7.549 1.00 0.00 H new ATOM 0 HD13 LEU A 558 11.051 -0.486 -6.607 1.00 0.00 H new ATOM 0 HD21 LEU A 558 13.243 1.076 -8.083 1.00 0.00 H new ATOM 0 HD22 LEU A 558 13.057 1.045 -6.313 1.00 0.00 H new ATOM 0 HD23 LEU A 558 14.608 0.581 -7.052 1.00 0.00 H new ATOM 322 N LYS A 559 15.666 -3.481 -4.069 1.00 0.00 N ATOM 323 CA LYS A 559 16.260 -3.688 -2.763 1.00 0.00 C ATOM 324 C LYS A 559 17.633 -3.022 -2.731 1.00 0.00 C ATOM 325 O LYS A 559 18.481 -3.278 -3.589 1.00 0.00 O ATOM 326 CB LYS A 559 16.357 -5.179 -2.405 1.00 0.00 C ATOM 327 CG LYS A 559 17.189 -6.017 -3.368 1.00 0.00 C ATOM 328 CD LYS A 559 17.379 -7.433 -2.849 1.00 0.00 C ATOM 329 CE LYS A 559 18.262 -8.260 -3.775 1.00 0.00 C ATOM 330 NZ LYS A 559 19.688 -7.845 -3.711 1.00 0.00 N ATOM 0 H LYS A 559 15.528 -4.327 -4.621 1.00 0.00 H new ATOM 0 HA LYS A 559 15.617 -3.233 -2.010 1.00 0.00 H new ATOM 0 HB2 LYS A 559 16.782 -5.271 -1.406 1.00 0.00 H new ATOM 0 HB3 LYS A 559 15.350 -5.594 -2.362 1.00 0.00 H new ATOM 0 HG2 LYS A 559 16.700 -6.047 -4.342 1.00 0.00 H new ATOM 0 HG3 LYS A 559 18.162 -5.548 -3.514 1.00 0.00 H new ATOM 0 HD2 LYS A 559 17.825 -7.399 -1.855 1.00 0.00 H new ATOM 0 HD3 LYS A 559 16.407 -7.916 -2.746 1.00 0.00 H new ATOM 0 HE2 LYS A 559 18.180 -9.313 -3.507 1.00 0.00 H new ATOM 0 HE3 LYS A 559 17.903 -8.162 -4.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 559 20.263 -8.488 -4.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 559 19.784 -6.874 -4.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 559 20.016 -7.882 -2.725 1.00 0.00 H new ATOM 344 N GLY A 560 17.828 -2.136 -1.771 1.00 0.00 N ATOM 345 CA GLY A 560 19.030 -1.329 -1.742 1.00 0.00 C ATOM 346 C GLY A 560 18.733 0.097 -2.154 1.00 0.00 C ATOM 347 O GLY A 560 19.356 1.038 -1.670 1.00 0.00 O ATOM 0 H GLY A 560 17.175 -1.959 -1.008 1.00 0.00 H new ATOM 0 HA2 GLY A 560 19.457 -1.341 -0.739 1.00 0.00 H new ATOM 0 HA3 GLY A 560 19.777 -1.757 -2.411 1.00 0.00 H new ATOM 351 N LYS A 561 17.767 0.245 -3.055 1.00 0.00 N ATOM 352 CA LYS A 561 17.278 1.556 -3.461 1.00 0.00 C ATOM 353 C LYS A 561 16.525 2.191 -2.306 1.00 0.00 C ATOM 354 O LYS A 561 16.614 3.393 -2.065 1.00 0.00 O ATOM 355 CB LYS A 561 16.342 1.424 -4.665 1.00 0.00 C ATOM 356 CG LYS A 561 17.004 0.843 -5.897 1.00 0.00 C ATOM 357 CD LYS A 561 17.670 1.917 -6.723 1.00 0.00 C ATOM 358 CE LYS A 561 18.501 1.308 -7.831 1.00 0.00 C ATOM 359 NZ LYS A 561 19.678 0.569 -7.302 1.00 0.00 N ATOM 0 H LYS A 561 17.304 -0.535 -3.521 1.00 0.00 H new ATOM 0 HA LYS A 561 18.127 2.180 -3.739 1.00 0.00 H new ATOM 0 HB2 LYS A 561 15.496 0.794 -4.388 1.00 0.00 H new ATOM 0 HB3 LYS A 561 15.940 2.407 -4.910 1.00 0.00 H new ATOM 0 HG2 LYS A 561 17.744 0.100 -5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 561 16.260 0.326 -6.502 1.00 0.00 H new ATOM 0 HD2 LYS A 561 16.913 2.575 -7.150 1.00 0.00 H new ATOM 0 HD3 LYS A 561 18.303 2.533 -6.084 1.00 0.00 H new ATOM 0 HE2 LYS A 561 17.881 0.630 -8.418 1.00 0.00 H new ATOM 0 HE3 LYS A 561 18.840 2.095 -8.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 20.365 0.417 -8.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 20.123 1.123 -6.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 19.370 -0.350 -6.926 1.00 0.00 H new ATOM 373 N ILE A 562 15.783 1.359 -1.594 1.00 0.00 N ATOM 374 CA ILE A 562 15.037 1.807 -0.441 1.00 0.00 C ATOM 375 C ILE A 562 15.675 1.257 0.831 1.00 0.00 C ATOM 376 O ILE A 562 16.297 0.191 0.818 1.00 0.00 O ATOM 377 CB ILE A 562 13.557 1.375 -0.531 1.00 0.00 C ATOM 378 CG1 ILE A 562 12.724 2.156 0.466 1.00 0.00 C ATOM 379 CG2 ILE A 562 13.385 -0.117 -0.292 1.00 0.00 C ATOM 380 CD1 ILE A 562 11.303 1.676 0.542 1.00 0.00 C ATOM 0 H ILE A 562 15.684 0.365 -1.800 1.00 0.00 H new ATOM 0 HA ILE A 562 15.064 2.896 -0.415 1.00 0.00 H new ATOM 0 HB ILE A 562 13.214 1.591 -1.543 1.00 0.00 H new ATOM 0 HG12 ILE A 562 13.181 2.080 1.453 1.00 0.00 H new ATOM 0 HG13 ILE A 562 12.732 3.211 0.191 1.00 0.00 H new ATOM 0 HG21 ILE A 562 12.329 -0.378 -0.364 1.00 0.00 H new ATOM 0 HG22 ILE A 562 13.948 -0.673 -1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 562 13.754 -0.371 0.702 1.00 0.00 H new ATOM 0 HD11 ILE A 562 10.756 2.273 1.272 1.00 0.00 H new ATOM 0 HD12 ILE A 562 10.832 1.777 -0.436 1.00 0.00 H new ATOM 0 HD13 ILE A 562 11.288 0.629 0.845 1.00 0.00 H new ATOM 392 N SER A 563 15.545 1.999 1.917 1.00 0.00 N ATOM 393 CA SER A 563 16.111 1.587 3.183 1.00 0.00 C ATOM 394 C SER A 563 15.183 0.595 3.881 1.00 0.00 C ATOM 395 O SER A 563 14.006 0.490 3.517 1.00 0.00 O ATOM 396 CB SER A 563 16.357 2.809 4.059 1.00 0.00 C ATOM 397 OG SER A 563 17.135 3.775 3.370 1.00 0.00 O ATOM 0 H SER A 563 15.051 2.891 1.944 1.00 0.00 H new ATOM 0 HA SER A 563 17.064 1.089 3.004 1.00 0.00 H new ATOM 0 HB2 SER A 563 15.404 3.247 4.355 1.00 0.00 H new ATOM 0 HB3 SER A 563 16.868 2.509 4.974 1.00 0.00 H new ATOM 0 HG SER A 563 17.280 4.552 3.949 1.00 0.00 H new ATOM 403 N GLU A 564 15.699 -0.128 4.867 1.00 0.00 N ATOM 404 CA GLU A 564 14.937 -1.197 5.505 1.00 0.00 C ATOM 405 C GLU A 564 13.640 -0.675 6.115 1.00 0.00 C ATOM 406 O GLU A 564 12.569 -1.239 5.886 1.00 0.00 O ATOM 407 CB GLU A 564 15.781 -1.895 6.570 1.00 0.00 C ATOM 408 CG GLU A 564 16.498 -0.930 7.489 1.00 0.00 C ATOM 409 CD GLU A 564 17.326 -1.628 8.544 1.00 0.00 C ATOM 410 OE1 GLU A 564 18.492 -1.981 8.254 1.00 0.00 O ATOM 411 OE2 GLU A 564 16.819 -1.827 9.668 1.00 0.00 O ATOM 0 H GLU A 564 16.638 0.005 5.242 1.00 0.00 H new ATOM 0 HA GLU A 564 14.675 -1.920 4.733 1.00 0.00 H new ATOM 0 HB2 GLU A 564 15.139 -2.544 7.165 1.00 0.00 H new ATOM 0 HB3 GLU A 564 16.516 -2.535 6.081 1.00 0.00 H new ATOM 0 HG2 GLU A 564 17.145 -0.283 6.896 1.00 0.00 H new ATOM 0 HG3 GLU A 564 15.765 -0.287 7.976 1.00 0.00 H new ATOM 418 N ALA A 565 13.742 0.428 6.849 1.00 0.00 N ATOM 419 CA ALA A 565 12.607 0.983 7.574 1.00 0.00 C ATOM 420 C ALA A 565 11.473 1.373 6.636 1.00 0.00 C ATOM 421 O ALA A 565 10.300 1.168 6.949 1.00 0.00 O ATOM 422 CB ALA A 565 13.045 2.186 8.390 1.00 0.00 C ATOM 0 H ALA A 565 14.607 0.958 6.957 1.00 0.00 H new ATOM 0 HA ALA A 565 12.232 0.208 8.243 1.00 0.00 H new ATOM 0 HB1 ALA A 565 12.188 2.592 8.928 1.00 0.00 H new ATOM 0 HB2 ALA A 565 13.811 1.882 9.104 1.00 0.00 H new ATOM 0 HB3 ALA A 565 13.451 2.948 7.725 1.00 0.00 H new ATOM 428 N ASP A 566 11.822 1.935 5.489 1.00 0.00 N ATOM 429 CA ASP A 566 10.820 2.369 4.524 1.00 0.00 C ATOM 430 C ASP A 566 10.145 1.171 3.882 1.00 0.00 C ATOM 431 O ASP A 566 8.924 1.137 3.753 1.00 0.00 O ATOM 432 CB ASP A 566 11.440 3.260 3.451 1.00 0.00 C ATOM 433 CG ASP A 566 12.146 4.466 4.038 1.00 0.00 C ATOM 434 OD1 ASP A 566 11.459 5.430 4.438 1.00 0.00 O ATOM 435 OD2 ASP A 566 13.391 4.449 4.112 1.00 0.00 O ATOM 0 H ASP A 566 12.787 2.101 5.203 1.00 0.00 H new ATOM 0 HA ASP A 566 10.070 2.951 5.060 1.00 0.00 H new ATOM 0 HB2 ASP A 566 12.150 2.677 2.864 1.00 0.00 H new ATOM 0 HB3 ASP A 566 10.661 3.596 2.767 1.00 0.00 H new ATOM 440 N LYS A 567 10.945 0.186 3.481 1.00 0.00 N ATOM 441 CA LYS A 567 10.410 -1.063 2.960 1.00 0.00 C ATOM 442 C LYS A 567 9.461 -1.691 3.978 1.00 0.00 C ATOM 443 O LYS A 567 8.344 -2.091 3.648 1.00 0.00 O ATOM 444 CB LYS A 567 11.538 -2.052 2.651 1.00 0.00 C ATOM 445 CG LYS A 567 11.016 -3.390 2.156 1.00 0.00 C ATOM 446 CD LYS A 567 12.010 -4.531 2.342 1.00 0.00 C ATOM 447 CE LYS A 567 12.989 -4.635 1.187 1.00 0.00 C ATOM 448 NZ LYS A 567 13.648 -5.969 1.149 1.00 0.00 N ATOM 0 H LYS A 567 11.964 0.231 3.508 1.00 0.00 H new ATOM 0 HA LYS A 567 9.870 -0.841 2.039 1.00 0.00 H new ATOM 0 HB2 LYS A 567 12.199 -1.622 1.898 1.00 0.00 H new ATOM 0 HB3 LYS A 567 12.137 -2.208 3.548 1.00 0.00 H new ATOM 0 HG2 LYS A 567 10.094 -3.631 2.685 1.00 0.00 H new ATOM 0 HG3 LYS A 567 10.764 -3.305 1.099 1.00 0.00 H new ATOM 0 HD2 LYS A 567 12.561 -4.382 3.270 1.00 0.00 H new ATOM 0 HD3 LYS A 567 11.467 -5.471 2.441 1.00 0.00 H new ATOM 0 HE2 LYS A 567 12.465 -4.460 0.247 1.00 0.00 H new ATOM 0 HE3 LYS A 567 13.746 -3.856 1.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 14.285 -6.018 0.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 14.196 -6.111 2.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 12.924 -6.712 1.070 1.00 0.00 H new ATOM 462 N LYS A 568 9.916 -1.752 5.223 1.00 0.00 N ATOM 463 CA LYS A 568 9.158 -2.376 6.298 1.00 0.00 C ATOM 464 C LYS A 568 7.839 -1.660 6.551 1.00 0.00 C ATOM 465 O LYS A 568 6.800 -2.303 6.702 1.00 0.00 O ATOM 466 CB LYS A 568 9.986 -2.404 7.581 1.00 0.00 C ATOM 467 CG LYS A 568 11.136 -3.397 7.536 1.00 0.00 C ATOM 468 CD LYS A 568 12.011 -3.307 8.777 1.00 0.00 C ATOM 469 CE LYS A 568 11.216 -3.554 10.049 1.00 0.00 C ATOM 470 NZ LYS A 568 10.577 -4.895 10.060 1.00 0.00 N ATOM 0 H LYS A 568 10.817 -1.372 5.514 1.00 0.00 H new ATOM 0 HA LYS A 568 8.931 -3.396 5.988 1.00 0.00 H new ATOM 0 HB2 LYS A 568 10.384 -1.407 7.770 1.00 0.00 H new ATOM 0 HB3 LYS A 568 9.335 -2.651 8.419 1.00 0.00 H new ATOM 0 HG2 LYS A 568 10.739 -4.408 7.444 1.00 0.00 H new ATOM 0 HG3 LYS A 568 11.742 -3.210 6.650 1.00 0.00 H new ATOM 0 HD2 LYS A 568 12.818 -4.036 8.706 1.00 0.00 H new ATOM 0 HD3 LYS A 568 12.475 -2.322 8.824 1.00 0.00 H new ATOM 0 HE2 LYS A 568 11.876 -3.461 10.912 1.00 0.00 H new ATOM 0 HE3 LYS A 568 10.448 -2.787 10.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 10.176 -5.081 11.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 9.819 -4.924 9.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 11.288 -5.620 9.838 1.00 0.00 H new ATOM 484 N LYS A 569 7.876 -0.332 6.600 1.00 0.00 N ATOM 485 CA LYS A 569 6.683 0.440 6.917 1.00 0.00 C ATOM 486 C LYS A 569 5.628 0.268 5.826 1.00 0.00 C ATOM 487 O LYS A 569 4.456 0.041 6.122 1.00 0.00 O ATOM 488 CB LYS A 569 7.024 1.929 7.119 1.00 0.00 C ATOM 489 CG LYS A 569 7.297 2.692 5.832 1.00 0.00 C ATOM 490 CD LYS A 569 7.763 4.110 6.109 1.00 0.00 C ATOM 491 CE LYS A 569 6.598 5.047 6.391 1.00 0.00 C ATOM 492 NZ LYS A 569 7.062 6.437 6.643 1.00 0.00 N ATOM 0 H LYS A 569 8.712 0.226 6.426 1.00 0.00 H new ATOM 0 HA LYS A 569 6.274 0.062 7.854 1.00 0.00 H new ATOM 0 HB2 LYS A 569 6.199 2.410 7.644 1.00 0.00 H new ATOM 0 HB3 LYS A 569 7.899 2.004 7.764 1.00 0.00 H new ATOM 0 HG2 LYS A 569 8.055 2.167 5.251 1.00 0.00 H new ATOM 0 HG3 LYS A 569 6.392 2.718 5.225 1.00 0.00 H new ATOM 0 HD2 LYS A 569 8.442 4.109 6.962 1.00 0.00 H new ATOM 0 HD3 LYS A 569 8.327 4.480 5.253 1.00 0.00 H new ATOM 0 HE2 LYS A 569 5.911 5.040 5.544 1.00 0.00 H new ATOM 0 HE3 LYS A 569 6.041 4.686 7.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 569 6.242 7.048 6.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 569 7.698 6.447 7.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 569 7.572 6.790 5.808 1.00 0.00 H new ATOM 506 N VAL A 570 6.052 0.361 4.570 1.00 0.00 N ATOM 507 CA VAL A 570 5.130 0.278 3.456 1.00 0.00 C ATOM 508 C VAL A 570 4.579 -1.141 3.286 1.00 0.00 C ATOM 509 O VAL A 570 3.393 -1.308 3.033 1.00 0.00 O ATOM 510 CB VAL A 570 5.761 0.787 2.141 1.00 0.00 C ATOM 511 CG1 VAL A 570 6.897 -0.105 1.696 1.00 0.00 C ATOM 512 CG2 VAL A 570 4.701 0.893 1.059 1.00 0.00 C ATOM 0 H VAL A 570 7.028 0.494 4.304 1.00 0.00 H new ATOM 0 HA VAL A 570 4.294 0.936 3.692 1.00 0.00 H new ATOM 0 HB VAL A 570 6.175 1.779 2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 570 7.320 0.280 0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 570 7.668 -0.123 2.466 1.00 0.00 H new ATOM 0 HG13 VAL A 570 6.523 -1.116 1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 570 5.157 1.253 0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 570 4.258 -0.088 0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 570 3.926 1.590 1.376 1.00 0.00 H new ATOM 522 N LEU A 571 5.430 -2.160 3.440 1.00 0.00 N ATOM 523 CA LEU A 571 4.973 -3.548 3.365 1.00 0.00 C ATOM 524 C LEU A 571 3.924 -3.815 4.437 1.00 0.00 C ATOM 525 O LEU A 571 2.871 -4.398 4.168 1.00 0.00 O ATOM 526 CB LEU A 571 6.132 -4.530 3.567 1.00 0.00 C ATOM 527 CG LEU A 571 7.139 -4.666 2.430 1.00 0.00 C ATOM 528 CD1 LEU A 571 8.402 -5.322 2.955 1.00 0.00 C ATOM 529 CD2 LEU A 571 6.562 -5.494 1.299 1.00 0.00 C ATOM 0 H LEU A 571 6.429 -2.051 3.616 1.00 0.00 H new ATOM 0 HA LEU A 571 4.548 -3.696 2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 571 6.674 -4.232 4.464 1.00 0.00 H new ATOM 0 HB3 LEU A 571 5.709 -5.515 3.763 1.00 0.00 H new ATOM 0 HG LEU A 571 7.372 -3.673 2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 571 9.124 -5.421 2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 571 8.828 -4.708 3.748 1.00 0.00 H new ATOM 0 HD13 LEU A 571 8.162 -6.309 3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 571 7.297 -5.578 0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 571 6.311 -6.489 1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 571 5.663 -5.011 0.917 1.00 0.00 H new ATOM 541 N ASP A 572 4.229 -3.373 5.649 1.00 0.00 N ATOM 542 CA ASP A 572 3.357 -3.571 6.801 1.00 0.00 C ATOM 543 C ASP A 572 2.034 -2.839 6.606 1.00 0.00 C ATOM 544 O ASP A 572 0.959 -3.390 6.849 1.00 0.00 O ATOM 545 CB ASP A 572 4.059 -3.059 8.059 1.00 0.00 C ATOM 546 CG ASP A 572 3.324 -3.414 9.330 1.00 0.00 C ATOM 547 OD1 ASP A 572 3.477 -4.556 9.809 1.00 0.00 O ATOM 548 OD2 ASP A 572 2.617 -2.544 9.874 1.00 0.00 O ATOM 0 H ASP A 572 5.088 -2.867 5.863 1.00 0.00 H new ATOM 0 HA ASP A 572 3.145 -4.635 6.907 1.00 0.00 H new ATOM 0 HB2 ASP A 572 5.066 -3.473 8.100 1.00 0.00 H new ATOM 0 HB3 ASP A 572 4.162 -1.976 7.996 1.00 0.00 H new ATOM 553 N LYS A 573 2.129 -1.599 6.146 1.00 0.00 N ATOM 554 CA LYS A 573 0.962 -0.782 5.851 1.00 0.00 C ATOM 555 C LYS A 573 0.169 -1.371 4.690 1.00 0.00 C ATOM 556 O LYS A 573 -1.063 -1.373 4.704 1.00 0.00 O ATOM 557 CB LYS A 573 1.420 0.642 5.538 1.00 0.00 C ATOM 558 CG LYS A 573 0.387 1.513 4.847 1.00 0.00 C ATOM 559 CD LYS A 573 -0.874 1.679 5.660 1.00 0.00 C ATOM 560 CE LYS A 573 -1.789 2.706 5.026 1.00 0.00 C ATOM 561 NZ LYS A 573 -3.041 2.885 5.813 1.00 0.00 N ATOM 0 H LYS A 573 3.018 -1.132 5.967 1.00 0.00 H new ATOM 0 HA LYS A 573 0.302 -0.764 6.718 1.00 0.00 H new ATOM 0 HB2 LYS A 573 1.715 1.125 6.469 1.00 0.00 H new ATOM 0 HB3 LYS A 573 2.309 0.591 4.909 1.00 0.00 H new ATOM 0 HG2 LYS A 573 0.819 2.494 4.650 1.00 0.00 H new ATOM 0 HG3 LYS A 573 0.136 1.075 3.881 1.00 0.00 H new ATOM 0 HD2 LYS A 573 -1.391 0.723 5.737 1.00 0.00 H new ATOM 0 HD3 LYS A 573 -0.621 1.987 6.674 1.00 0.00 H new ATOM 0 HE2 LYS A 573 -1.268 3.660 4.949 1.00 0.00 H new ATOM 0 HE3 LYS A 573 -2.038 2.395 4.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 573 -3.848 2.984 5.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 573 -3.188 2.057 6.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 573 -2.963 3.740 6.400 1.00 0.00 H new ATOM 575 N CYS A 574 0.879 -1.877 3.693 1.00 0.00 N ATOM 576 CA CYS A 574 0.255 -2.517 2.545 1.00 0.00 C ATOM 577 C CYS A 574 -0.560 -3.715 2.996 1.00 0.00 C ATOM 578 O CYS A 574 -1.659 -3.966 2.507 1.00 0.00 O ATOM 579 CB CYS A 574 1.323 -2.972 1.560 1.00 0.00 C ATOM 580 SG CYS A 574 0.725 -4.139 0.328 1.00 0.00 S ATOM 0 H CYS A 574 1.898 -1.856 3.657 1.00 0.00 H new ATOM 0 HA CYS A 574 -0.403 -1.798 2.058 1.00 0.00 H new ATOM 0 HB2 CYS A 574 1.731 -2.098 1.052 1.00 0.00 H new ATOM 0 HB3 CYS A 574 2.143 -3.430 2.113 1.00 0.00 H new ATOM 0 HG CYS A 574 1.247 -3.855 -0.828 1.00 0.00 H new ATOM 586 N GLN A 575 0.010 -4.458 3.916 1.00 0.00 N ATOM 587 CA GLN A 575 -0.659 -5.593 4.527 1.00 0.00 C ATOM 588 C GLN A 575 -1.925 -5.167 5.261 1.00 0.00 C ATOM 589 O GLN A 575 -2.947 -5.844 5.186 1.00 0.00 O ATOM 590 CB GLN A 575 0.301 -6.284 5.481 1.00 0.00 C ATOM 591 CG GLN A 575 1.039 -7.446 4.847 1.00 0.00 C ATOM 592 CD GLN A 575 0.131 -8.626 4.569 1.00 0.00 C ATOM 593 OE1 GLN A 575 0.000 -9.530 5.394 1.00 0.00 O ATOM 594 NE2 GLN A 575 -0.513 -8.620 3.413 1.00 0.00 N ATOM 0 H GLN A 575 0.954 -4.295 4.266 1.00 0.00 H new ATOM 0 HA GLN A 575 -0.958 -6.286 3.740 1.00 0.00 H new ATOM 0 HB2 GLN A 575 1.026 -5.557 5.846 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -0.254 -6.644 6.348 1.00 0.00 H new ATOM 0 HG2 GLN A 575 1.497 -7.116 3.914 1.00 0.00 H new ATOM 0 HG3 GLN A 575 1.848 -7.761 5.506 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -0.376 -7.851 2.757 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -1.146 -9.384 3.178 1.00 0.00 H new ATOM 603 N GLU A 576 -1.853 -4.035 5.950 1.00 0.00 N ATOM 604 CA GLU A 576 -3.011 -3.486 6.651 1.00 0.00 C ATOM 605 C GLU A 576 -4.161 -3.254 5.681 1.00 0.00 C ATOM 606 O GLU A 576 -5.256 -3.785 5.859 1.00 0.00 O ATOM 607 CB GLU A 576 -2.649 -2.159 7.319 1.00 0.00 C ATOM 608 CG GLU A 576 -3.846 -1.431 7.915 1.00 0.00 C ATOM 609 CD GLU A 576 -3.635 0.065 8.004 1.00 0.00 C ATOM 610 OE1 GLU A 576 -3.061 0.530 9.009 1.00 0.00 O ATOM 611 OE2 GLU A 576 -4.042 0.786 7.065 1.00 0.00 O ATOM 0 H GLU A 576 -1.004 -3.477 6.039 1.00 0.00 H new ATOM 0 HA GLU A 576 -3.317 -4.205 7.411 1.00 0.00 H new ATOM 0 HB2 GLU A 576 -1.919 -2.345 8.106 1.00 0.00 H new ATOM 0 HB3 GLU A 576 -2.169 -1.511 6.585 1.00 0.00 H new ATOM 0 HG2 GLU A 576 -4.728 -1.634 7.308 1.00 0.00 H new ATOM 0 HG3 GLU A 576 -4.047 -1.825 8.911 1.00 0.00 H new ATOM 618 N VAL A 577 -3.895 -2.476 4.643 1.00 0.00 N ATOM 619 CA VAL A 577 -4.911 -2.165 3.650 1.00 0.00 C ATOM 620 C VAL A 577 -5.375 -3.421 2.915 1.00 0.00 C ATOM 621 O VAL A 577 -6.570 -3.617 2.724 1.00 0.00 O ATOM 622 CB VAL A 577 -4.422 -1.097 2.641 1.00 0.00 C ATOM 623 CG1 VAL A 577 -2.968 -1.292 2.288 1.00 0.00 C ATOM 624 CG2 VAL A 577 -5.259 -1.110 1.375 1.00 0.00 C ATOM 0 H VAL A 577 -2.986 -2.049 4.467 1.00 0.00 H new ATOM 0 HA VAL A 577 -5.762 -1.750 4.189 1.00 0.00 H new ATOM 0 HB VAL A 577 -4.535 -0.129 3.128 1.00 0.00 H new ATOM 0 HG11 VAL A 577 -2.660 -0.525 1.578 1.00 0.00 H new ATOM 0 HG12 VAL A 577 -2.361 -1.216 3.190 1.00 0.00 H new ATOM 0 HG13 VAL A 577 -2.831 -2.276 1.840 1.00 0.00 H new ATOM 0 HG21 VAL A 577 -4.890 -0.349 0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 577 -5.190 -2.090 0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 577 -6.299 -0.900 1.624 1.00 0.00 H new ATOM 634 N ILE A 578 -4.439 -4.281 2.535 1.00 0.00 N ATOM 635 CA ILE A 578 -4.770 -5.498 1.800 1.00 0.00 C ATOM 636 C ILE A 578 -5.686 -6.417 2.620 1.00 0.00 C ATOM 637 O ILE A 578 -6.638 -6.995 2.086 1.00 0.00 O ATOM 638 CB ILE A 578 -3.491 -6.235 1.347 1.00 0.00 C ATOM 639 CG1 ILE A 578 -2.974 -5.611 0.046 1.00 0.00 C ATOM 640 CG2 ILE A 578 -3.740 -7.722 1.165 1.00 0.00 C ATOM 641 CD1 ILE A 578 -1.611 -6.096 -0.354 1.00 0.00 C ATOM 0 H ILE A 578 -3.444 -4.160 2.723 1.00 0.00 H new ATOM 0 HA ILE A 578 -5.321 -5.207 0.906 1.00 0.00 H new ATOM 0 HB ILE A 578 -2.736 -6.126 2.125 1.00 0.00 H new ATOM 0 HG12 ILE A 578 -3.678 -5.830 -0.757 1.00 0.00 H new ATOM 0 HG13 ILE A 578 -2.946 -4.527 0.159 1.00 0.00 H new ATOM 0 HG21 ILE A 578 -2.818 -8.209 0.846 1.00 0.00 H new ATOM 0 HG22 ILE A 578 -4.070 -8.154 2.110 1.00 0.00 H new ATOM 0 HG23 ILE A 578 -4.510 -7.872 0.409 1.00 0.00 H new ATOM 0 HD11 ILE A 578 -1.311 -5.612 -1.283 1.00 0.00 H new ATOM 0 HD12 ILE A 578 -0.894 -5.853 0.430 1.00 0.00 H new ATOM 0 HD13 ILE A 578 -1.637 -7.176 -0.500 1.00 0.00 H new ATOM 653 N SER A 579 -5.422 -6.530 3.916 1.00 0.00 N ATOM 654 CA SER A 579 -6.277 -7.324 4.790 1.00 0.00 C ATOM 655 C SER A 579 -7.625 -6.635 4.999 1.00 0.00 C ATOM 656 O SER A 579 -8.650 -7.298 5.163 1.00 0.00 O ATOM 657 CB SER A 579 -5.586 -7.577 6.131 1.00 0.00 C ATOM 658 OG SER A 579 -4.394 -8.324 5.949 1.00 0.00 O ATOM 0 H SER A 579 -4.630 -6.087 4.382 1.00 0.00 H new ATOM 0 HA SER A 579 -6.458 -8.286 4.310 1.00 0.00 H new ATOM 0 HB2 SER A 579 -5.355 -6.626 6.612 1.00 0.00 H new ATOM 0 HB3 SER A 579 -6.260 -8.116 6.797 1.00 0.00 H new ATOM 0 HG SER A 579 -3.668 -7.722 5.684 1.00 0.00 H new ATOM 664 N TRP A 580 -7.615 -5.306 4.961 1.00 0.00 N ATOM 665 CA TRP A 580 -8.830 -4.513 5.102 1.00 0.00 C ATOM 666 C TRP A 580 -9.687 -4.650 3.848 1.00 0.00 C ATOM 667 O TRP A 580 -10.910 -4.706 3.921 1.00 0.00 O ATOM 668 CB TRP A 580 -8.466 -3.041 5.350 1.00 0.00 C ATOM 669 CG TRP A 580 -9.640 -2.107 5.348 1.00 0.00 C ATOM 670 CD1 TRP A 580 -10.431 -1.773 6.412 1.00 0.00 C ATOM 671 CD2 TRP A 580 -10.152 -1.380 4.223 1.00 0.00 C ATOM 672 NE1 TRP A 580 -11.408 -0.889 6.014 1.00 0.00 N ATOM 673 CE2 TRP A 580 -11.256 -0.633 4.675 1.00 0.00 C ATOM 674 CE3 TRP A 580 -9.786 -1.288 2.876 1.00 0.00 C ATOM 675 CZ2 TRP A 580 -11.992 0.192 3.831 1.00 0.00 C ATOM 676 CZ3 TRP A 580 -10.518 -0.470 2.040 1.00 0.00 C ATOM 677 CH2 TRP A 580 -11.609 0.260 2.520 1.00 0.00 C ATOM 0 H TRP A 580 -6.769 -4.751 4.832 1.00 0.00 H new ATOM 0 HA TRP A 580 -9.402 -4.878 5.955 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -7.955 -2.962 6.310 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -7.759 -2.720 4.585 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -10.307 -2.148 7.417 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -12.128 -0.489 6.616 1.00 0.00 H new ATOM 0 HE3 TRP A 580 -8.944 -1.848 2.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -12.835 0.758 4.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 -10.244 -0.393 0.998 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -12.162 0.892 1.840 1.00 0.00 H new ATOM 688 N LEU A 581 -9.023 -4.707 2.702 1.00 0.00 N ATOM 689 CA LEU A 581 -9.689 -4.898 1.417 1.00 0.00 C ATOM 690 C LEU A 581 -10.442 -6.213 1.393 1.00 0.00 C ATOM 691 O LEU A 581 -11.596 -6.282 0.973 1.00 0.00 O ATOM 692 CB LEU A 581 -8.649 -4.904 0.310 1.00 0.00 C ATOM 693 CG LEU A 581 -7.937 -3.582 0.083 1.00 0.00 C ATOM 694 CD1 LEU A 581 -6.616 -3.831 -0.605 1.00 0.00 C ATOM 695 CD2 LEU A 581 -8.807 -2.654 -0.728 1.00 0.00 C ATOM 0 H LEU A 581 -8.009 -4.622 2.635 1.00 0.00 H new ATOM 0 HA LEU A 581 -10.397 -4.083 1.268 1.00 0.00 H new ATOM 0 HB2 LEU A 581 -7.903 -5.665 0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 581 -9.134 -5.202 -0.620 1.00 0.00 H new ATOM 0 HG LEU A 581 -7.743 -3.104 1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 581 -6.106 -2.882 -0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 581 -5.996 -4.474 0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 581 -6.791 -4.317 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 581 -8.285 -1.710 -0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 581 -9.026 -3.111 -1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 581 -9.739 -2.470 -0.194 1.00 0.00 H new ATOM 707 N ASP A 582 -9.764 -7.257 1.846 1.00 0.00 N ATOM 708 CA ASP A 582 -10.337 -8.594 1.899 1.00 0.00 C ATOM 709 C ASP A 582 -11.484 -8.636 2.900 1.00 0.00 C ATOM 710 O ASP A 582 -12.472 -9.345 2.710 1.00 0.00 O ATOM 711 CB ASP A 582 -9.253 -9.601 2.297 1.00 0.00 C ATOM 712 CG ASP A 582 -9.775 -11.019 2.421 1.00 0.00 C ATOM 713 OD1 ASP A 582 -9.911 -11.701 1.383 1.00 0.00 O ATOM 714 OD2 ASP A 582 -10.031 -11.465 3.559 1.00 0.00 O ATOM 0 H ASP A 582 -8.804 -7.202 2.186 1.00 0.00 H new ATOM 0 HA ASP A 582 -10.726 -8.855 0.915 1.00 0.00 H new ATOM 0 HB2 ASP A 582 -8.454 -9.578 1.556 1.00 0.00 H new ATOM 0 HB3 ASP A 582 -8.815 -9.297 3.248 1.00 0.00 H new ATOM 719 N ALA A 583 -11.349 -7.843 3.949 1.00 0.00 N ATOM 720 CA ALA A 583 -12.310 -7.826 5.037 1.00 0.00 C ATOM 721 C ALA A 583 -13.518 -6.944 4.720 1.00 0.00 C ATOM 722 O ALA A 583 -14.638 -7.219 5.154 1.00 0.00 O ATOM 723 CB ALA A 583 -11.615 -7.340 6.294 1.00 0.00 C ATOM 0 H ALA A 583 -10.571 -7.194 4.070 1.00 0.00 H new ATOM 0 HA ALA A 583 -12.687 -8.838 5.183 1.00 0.00 H new ATOM 0 HB1 ALA A 583 -12.327 -7.323 7.120 1.00 0.00 H new ATOM 0 HB2 ALA A 583 -10.792 -8.012 6.538 1.00 0.00 H new ATOM 0 HB3 ALA A 583 -11.226 -6.335 6.129 1.00 0.00 H new ATOM 729 N ASN A 584 -13.287 -5.892 3.947 1.00 0.00 N ATOM 730 CA ASN A 584 -14.330 -4.933 3.616 1.00 0.00 C ATOM 731 C ASN A 584 -14.570 -4.876 2.117 1.00 0.00 C ATOM 732 O ASN A 584 -14.365 -3.847 1.477 1.00 0.00 O ATOM 733 CB ASN A 584 -13.981 -3.539 4.147 1.00 0.00 C ATOM 734 CG ASN A 584 -14.223 -3.411 5.639 1.00 0.00 C ATOM 735 OD1 ASN A 584 -15.324 -3.061 6.071 1.00 0.00 O ATOM 736 ND2 ASN A 584 -13.205 -3.694 6.435 1.00 0.00 N ATOM 0 H ASN A 584 -12.378 -5.681 3.535 1.00 0.00 H new ATOM 0 HA ASN A 584 -15.248 -5.270 4.098 1.00 0.00 H new ATOM 0 HB2 ASN A 584 -12.935 -3.323 3.932 1.00 0.00 H new ATOM 0 HB3 ASN A 584 -14.576 -2.793 3.620 1.00 0.00 H new ATOM 0 HD21 ASN A 584 -13.315 -3.626 7.447 1.00 0.00 H new ATOM 0 HD22 ASN A 584 -12.310 -3.980 6.037 1.00 0.00 H new ATOM 743 N THR A 585 -15.021 -5.989 1.561 1.00 0.00 N ATOM 744 CA THR A 585 -15.410 -6.037 0.163 1.00 0.00 C ATOM 745 C THR A 585 -16.776 -5.387 0.004 1.00 0.00 C ATOM 746 O THR A 585 -17.234 -5.096 -1.100 1.00 0.00 O ATOM 747 CB THR A 585 -15.457 -7.488 -0.342 1.00 0.00 C ATOM 748 OG1 THR A 585 -16.369 -8.253 0.453 1.00 0.00 O ATOM 749 CG2 THR A 585 -14.082 -8.125 -0.269 1.00 0.00 C ATOM 0 H THR A 585 -15.126 -6.873 2.059 1.00 0.00 H new ATOM 0 HA THR A 585 -14.672 -5.496 -0.429 1.00 0.00 H new ATOM 0 HB THR A 585 -15.791 -7.477 -1.380 1.00 0.00 H new ATOM 0 HG1 THR A 585 -16.395 -9.176 0.124 1.00 0.00 H new ATOM 0 HG21 THR A 585 -14.137 -9.152 -0.631 1.00 0.00 H new ATOM 0 HG22 THR A 585 -13.385 -7.559 -0.888 1.00 0.00 H new ATOM 0 HG23 THR A 585 -13.734 -8.123 0.764 1.00 0.00 H new ATOM 757 N LEU A 586 -17.411 -5.166 1.148 1.00 0.00 N ATOM 758 CA LEU A 586 -18.730 -4.568 1.218 1.00 0.00 C ATOM 759 C LEU A 586 -18.613 -3.057 1.410 1.00 0.00 C ATOM 760 O LEU A 586 -19.613 -2.363 1.610 1.00 0.00 O ATOM 761 CB LEU A 586 -19.534 -5.177 2.376 1.00 0.00 C ATOM 762 CG LEU A 586 -19.693 -6.709 2.369 1.00 0.00 C ATOM 763 CD1 LEU A 586 -20.103 -7.205 0.990 1.00 0.00 C ATOM 764 CD2 LEU A 586 -18.417 -7.405 2.832 1.00 0.00 C ATOM 0 H LEU A 586 -17.018 -5.400 2.059 1.00 0.00 H new ATOM 0 HA LEU A 586 -19.251 -4.771 0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 586 -19.057 -4.887 3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 586 -20.528 -4.730 2.373 1.00 0.00 H new ATOM 0 HG LEU A 586 -20.484 -6.960 3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 586 -20.209 -8.290 1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 586 -21.054 -6.753 0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 586 -19.340 -6.928 0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 586 -18.565 -8.485 2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 586 -17.596 -7.140 2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 586 -18.177 -7.088 3.847 1.00 0.00 H new ATOM 776 N ALA A 587 -17.384 -2.556 1.364 1.00 0.00 N ATOM 777 CA ALA A 587 -17.135 -1.127 1.504 1.00 0.00 C ATOM 778 C ALA A 587 -17.583 -0.389 0.253 1.00 0.00 C ATOM 779 O ALA A 587 -17.741 -0.987 -0.814 1.00 0.00 O ATOM 780 CB ALA A 587 -15.659 -0.855 1.754 1.00 0.00 C ATOM 0 H ALA A 587 -16.544 -3.119 1.231 1.00 0.00 H new ATOM 0 HA ALA A 587 -17.707 -0.768 2.360 1.00 0.00 H new ATOM 0 HB1 ALA A 587 -15.499 0.218 1.855 1.00 0.00 H new ATOM 0 HB2 ALA A 587 -15.347 -1.356 2.670 1.00 0.00 H new ATOM 0 HB3 ALA A 587 -15.073 -1.232 0.916 1.00 0.00 H new ATOM 786 N GLU A 588 -17.786 0.908 0.390 1.00 0.00 N ATOM 787 CA GLU A 588 -18.140 1.739 -0.742 1.00 0.00 C ATOM 788 C GLU A 588 -16.880 2.297 -1.380 1.00 0.00 C ATOM 789 O GLU A 588 -15.794 2.178 -0.810 1.00 0.00 O ATOM 790 CB GLU A 588 -19.076 2.869 -0.313 1.00 0.00 C ATOM 791 CG GLU A 588 -20.428 2.378 0.180 1.00 0.00 C ATOM 792 CD GLU A 588 -21.300 3.494 0.716 1.00 0.00 C ATOM 793 OE1 GLU A 588 -22.018 4.134 -0.083 1.00 0.00 O ATOM 794 OE2 GLU A 588 -21.271 3.733 1.938 1.00 0.00 O ATOM 0 H GLU A 588 -17.711 1.408 1.276 1.00 0.00 H new ATOM 0 HA GLU A 588 -18.668 1.130 -1.476 1.00 0.00 H new ATOM 0 HB2 GLU A 588 -18.597 3.447 0.477 1.00 0.00 H new ATOM 0 HB3 GLU A 588 -19.228 3.545 -1.155 1.00 0.00 H new ATOM 0 HG2 GLU A 588 -20.948 1.878 -0.638 1.00 0.00 H new ATOM 0 HG3 GLU A 588 -20.276 1.635 0.963 1.00 0.00 H new ATOM 801 N LYS A 589 -17.027 2.929 -2.534 1.00 0.00 N ATOM 802 CA LYS A 589 -15.886 3.390 -3.319 1.00 0.00 C ATOM 803 C LYS A 589 -14.954 4.276 -2.496 1.00 0.00 C ATOM 804 O LYS A 589 -13.732 4.110 -2.513 1.00 0.00 O ATOM 805 CB LYS A 589 -16.392 4.176 -4.530 1.00 0.00 C ATOM 806 CG LYS A 589 -17.331 5.317 -4.161 1.00 0.00 C ATOM 807 CD LYS A 589 -17.959 5.964 -5.373 1.00 0.00 C ATOM 808 CE LYS A 589 -18.547 7.319 -5.013 1.00 0.00 C ATOM 809 NZ LYS A 589 -19.468 7.239 -3.846 1.00 0.00 N ATOM 0 H LYS A 589 -17.933 3.137 -2.953 1.00 0.00 H new ATOM 0 HA LYS A 589 -15.321 2.515 -3.640 1.00 0.00 H new ATOM 0 HB2 LYS A 589 -15.538 4.579 -5.075 1.00 0.00 H new ATOM 0 HB3 LYS A 589 -16.908 3.495 -5.206 1.00 0.00 H new ATOM 0 HG2 LYS A 589 -18.117 4.940 -3.507 1.00 0.00 H new ATOM 0 HG3 LYS A 589 -16.780 6.069 -3.596 1.00 0.00 H new ATOM 0 HD2 LYS A 589 -17.211 6.083 -6.157 1.00 0.00 H new ATOM 0 HD3 LYS A 589 -18.740 5.318 -5.773 1.00 0.00 H new ATOM 0 HE2 LYS A 589 -17.739 8.016 -4.789 1.00 0.00 H new ATOM 0 HE3 LYS A 589 -19.085 7.720 -5.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 -20.220 7.951 -3.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 -19.893 6.291 -3.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 -18.936 7.420 -2.971 1.00 0.00 H new ATOM 823 N ASP A 590 -15.550 5.190 -1.753 1.00 0.00 N ATOM 824 CA ASP A 590 -14.800 6.181 -0.995 1.00 0.00 C ATOM 825 C ASP A 590 -13.967 5.552 0.117 1.00 0.00 C ATOM 826 O ASP A 590 -12.913 6.080 0.453 1.00 0.00 O ATOM 827 CB ASP A 590 -15.737 7.235 -0.407 1.00 0.00 C ATOM 828 CG ASP A 590 -16.601 7.890 -1.461 1.00 0.00 C ATOM 829 OD1 ASP A 590 -17.681 7.345 -1.774 1.00 0.00 O ATOM 830 OD2 ASP A 590 -16.203 8.948 -1.992 1.00 0.00 O ATOM 0 H ASP A 590 -16.562 5.269 -1.656 1.00 0.00 H new ATOM 0 HA ASP A 590 -14.113 6.657 -1.695 1.00 0.00 H new ATOM 0 HB2 ASP A 590 -16.375 6.771 0.345 1.00 0.00 H new ATOM 0 HB3 ASP A 590 -15.148 7.998 0.102 1.00 0.00 H new ATOM 835 N GLU A 591 -14.416 4.432 0.688 1.00 0.00 N ATOM 836 CA GLU A 591 -13.632 3.763 1.727 1.00 0.00 C ATOM 837 C GLU A 591 -12.284 3.351 1.172 1.00 0.00 C ATOM 838 O GLU A 591 -11.245 3.519 1.821 1.00 0.00 O ATOM 839 CB GLU A 591 -14.354 2.539 2.306 1.00 0.00 C ATOM 840 CG GLU A 591 -15.444 2.891 3.300 1.00 0.00 C ATOM 841 CD GLU A 591 -14.965 3.886 4.338 1.00 0.00 C ATOM 842 OE1 GLU A 591 -15.050 5.107 4.082 1.00 0.00 O ATOM 843 OE2 GLU A 591 -14.481 3.456 5.407 1.00 0.00 O ATOM 0 H GLU A 591 -15.299 3.977 0.455 1.00 0.00 H new ATOM 0 HA GLU A 591 -13.497 4.476 2.540 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -14.791 1.965 1.489 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -13.623 1.894 2.794 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -16.300 3.306 2.768 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -15.787 1.984 3.798 1.00 0.00 H new ATOM 850 N PHE A 592 -12.303 2.845 -0.046 1.00 0.00 N ATOM 851 CA PHE A 592 -11.082 2.491 -0.735 1.00 0.00 C ATOM 852 C PHE A 592 -10.298 3.752 -1.052 1.00 0.00 C ATOM 853 O PHE A 592 -9.107 3.828 -0.791 1.00 0.00 O ATOM 854 CB PHE A 592 -11.391 1.720 -2.015 1.00 0.00 C ATOM 855 CG PHE A 592 -12.209 0.486 -1.778 1.00 0.00 C ATOM 856 CD1 PHE A 592 -11.602 -0.670 -1.342 1.00 0.00 C ATOM 857 CD2 PHE A 592 -13.579 0.489 -1.982 1.00 0.00 C ATOM 858 CE1 PHE A 592 -12.345 -1.813 -1.102 1.00 0.00 C ATOM 859 CE2 PHE A 592 -14.329 -0.647 -1.749 1.00 0.00 C ATOM 860 CZ PHE A 592 -13.710 -1.801 -1.309 1.00 0.00 C ATOM 0 H PHE A 592 -13.155 2.670 -0.579 1.00 0.00 H new ATOM 0 HA PHE A 592 -10.483 1.848 -0.090 1.00 0.00 H new ATOM 0 HB2 PHE A 592 -11.923 2.374 -2.706 1.00 0.00 H new ATOM 0 HB3 PHE A 592 -10.455 1.440 -2.498 1.00 0.00 H new ATOM 0 HD1 PHE A 592 -10.534 -0.685 -1.185 1.00 0.00 H new ATOM 0 HD2 PHE A 592 -14.066 1.389 -2.327 1.00 0.00 H new ATOM 0 HE1 PHE A 592 -11.858 -2.712 -0.754 1.00 0.00 H new ATOM 0 HE2 PHE A 592 -15.397 -0.633 -1.910 1.00 0.00 H new ATOM 0 HZ PHE A 592 -14.293 -2.692 -1.127 1.00 0.00 H new ATOM 870 N GLU A 593 -10.988 4.762 -1.561 1.00 0.00 N ATOM 871 CA GLU A 593 -10.349 6.019 -1.934 1.00 0.00 C ATOM 872 C GLU A 593 -9.660 6.675 -0.738 1.00 0.00 C ATOM 873 O GLU A 593 -8.582 7.258 -0.875 1.00 0.00 O ATOM 874 CB GLU A 593 -11.379 6.960 -2.562 1.00 0.00 C ATOM 875 CG GLU A 593 -11.780 6.540 -3.967 1.00 0.00 C ATOM 876 CD GLU A 593 -10.592 6.499 -4.915 1.00 0.00 C ATOM 877 OE1 GLU A 593 -9.903 5.461 -4.975 1.00 0.00 O ATOM 878 OE2 GLU A 593 -10.331 7.518 -5.594 1.00 0.00 O ATOM 0 H GLU A 593 -11.994 4.737 -1.726 1.00 0.00 H new ATOM 0 HA GLU A 593 -9.574 5.805 -2.670 1.00 0.00 H new ATOM 0 HB2 GLU A 593 -12.267 6.994 -1.930 1.00 0.00 H new ATOM 0 HB3 GLU A 593 -10.971 7.970 -2.592 1.00 0.00 H new ATOM 0 HG2 GLU A 593 -12.248 5.556 -3.931 1.00 0.00 H new ATOM 0 HG3 GLU A 593 -12.527 7.234 -4.353 1.00 0.00 H new ATOM 885 N HIS A 594 -10.267 6.558 0.437 1.00 0.00 N ATOM 886 CA HIS A 594 -9.645 7.042 1.667 1.00 0.00 C ATOM 887 C HIS A 594 -8.376 6.250 1.951 1.00 0.00 C ATOM 888 O HIS A 594 -7.338 6.813 2.303 1.00 0.00 O ATOM 889 CB HIS A 594 -10.598 6.911 2.862 1.00 0.00 C ATOM 890 CG HIS A 594 -11.841 7.741 2.760 1.00 0.00 C ATOM 891 ND1 HIS A 594 -13.088 7.289 3.147 1.00 0.00 N ATOM 892 CD2 HIS A 594 -12.027 9.007 2.320 1.00 0.00 C ATOM 893 CE1 HIS A 594 -13.979 8.241 2.946 1.00 0.00 C ATOM 894 NE2 HIS A 594 -13.359 9.293 2.445 1.00 0.00 N ATOM 0 H HIS A 594 -11.186 6.134 0.566 1.00 0.00 H new ATOM 0 HA HIS A 594 -9.405 8.096 1.528 1.00 0.00 H new ATOM 0 HB2 HIS A 594 -10.883 5.865 2.970 1.00 0.00 H new ATOM 0 HB3 HIS A 594 -10.063 7.191 3.769 1.00 0.00 H new ATOM 0 HD1 HIS A 594 -13.288 6.364 3.528 1.00 0.00 H new ATOM 0 HD2 HIS A 594 -11.264 9.670 1.940 1.00 0.00 H new ATOM 0 HE1 HIS A 594 -15.036 8.171 3.156 1.00 0.00 H new ATOM 903 N LYS A 595 -8.469 4.938 1.775 1.00 0.00 N ATOM 904 CA LYS A 595 -7.351 4.045 2.001 1.00 0.00 C ATOM 905 C LYS A 595 -6.241 4.308 0.991 1.00 0.00 C ATOM 906 O LYS A 595 -5.056 4.196 1.309 1.00 0.00 O ATOM 907 CB LYS A 595 -7.821 2.600 1.885 1.00 0.00 C ATOM 908 CG LYS A 595 -6.921 1.613 2.606 1.00 0.00 C ATOM 909 CD LYS A 595 -6.810 1.923 4.095 1.00 0.00 C ATOM 910 CE LYS A 595 -8.132 1.751 4.841 1.00 0.00 C ATOM 911 NZ LYS A 595 -9.013 2.947 4.719 1.00 0.00 N ATOM 0 H LYS A 595 -9.322 4.468 1.472 1.00 0.00 H new ATOM 0 HA LYS A 595 -6.958 4.223 3.002 1.00 0.00 H new ATOM 0 HB2 LYS A 595 -8.831 2.521 2.288 1.00 0.00 H new ATOM 0 HB3 LYS A 595 -7.876 2.327 0.831 1.00 0.00 H new ATOM 0 HG2 LYS A 595 -7.311 0.604 2.474 1.00 0.00 H new ATOM 0 HG3 LYS A 595 -5.928 1.633 2.157 1.00 0.00 H new ATOM 0 HD2 LYS A 595 -6.060 1.270 4.541 1.00 0.00 H new ATOM 0 HD3 LYS A 595 -6.458 2.947 4.222 1.00 0.00 H new ATOM 0 HE2 LYS A 595 -8.654 0.877 4.452 1.00 0.00 H new ATOM 0 HE3 LYS A 595 -7.929 1.558 5.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 595 -9.464 3.141 5.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 595 -8.444 3.769 4.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 595 -9.746 2.767 4.004 1.00 0.00 H new ATOM 925 N ARG A 596 -6.642 4.645 -0.231 1.00 0.00 N ATOM 926 CA ARG A 596 -5.699 4.958 -1.292 1.00 0.00 C ATOM 927 C ARG A 596 -4.850 6.159 -0.894 1.00 0.00 C ATOM 928 O ARG A 596 -3.654 6.207 -1.187 1.00 0.00 O ATOM 929 CB ARG A 596 -6.434 5.223 -2.611 1.00 0.00 C ATOM 930 CG ARG A 596 -5.538 5.096 -3.832 1.00 0.00 C ATOM 931 CD ARG A 596 -6.329 4.737 -5.084 1.00 0.00 C ATOM 932 NE ARG A 596 -7.238 5.802 -5.510 1.00 0.00 N ATOM 933 CZ ARG A 596 -6.888 6.799 -6.327 1.00 0.00 C ATOM 934 NH1 ARG A 596 -5.617 6.951 -6.687 1.00 0.00 N ATOM 935 NH2 ARG A 596 -7.805 7.660 -6.754 1.00 0.00 N ATOM 0 H ARG A 596 -7.621 4.708 -0.509 1.00 0.00 H new ATOM 0 HA ARG A 596 -5.043 4.101 -1.442 1.00 0.00 H new ATOM 0 HB2 ARG A 596 -7.265 4.523 -2.704 1.00 0.00 H new ATOM 0 HB3 ARG A 596 -6.863 6.225 -2.586 1.00 0.00 H new ATOM 0 HG2 ARG A 596 -5.010 6.036 -3.994 1.00 0.00 H new ATOM 0 HG3 ARG A 596 -4.782 4.333 -3.649 1.00 0.00 H new ATOM 0 HD2 ARG A 596 -5.635 4.513 -5.894 1.00 0.00 H new ATOM 0 HD3 ARG A 596 -6.903 3.830 -4.897 1.00 0.00 H new ATOM 0 HE ARG A 596 -8.197 5.782 -5.162 1.00 0.00 H new ATOM 0 HH11 ARG A 596 -4.908 6.306 -6.339 1.00 0.00 H new ATOM 0 HH12 ARG A 596 -5.351 7.713 -7.311 1.00 0.00 H new ATOM 0 HH21 ARG A 596 -8.776 7.560 -6.458 1.00 0.00 H new ATOM 0 HH22 ARG A 596 -7.538 8.422 -7.378 1.00 0.00 H new ATOM 949 N LYS A 597 -5.477 7.118 -0.211 1.00 0.00 N ATOM 950 CA LYS A 597 -4.753 8.263 0.337 1.00 0.00 C ATOM 951 C LYS A 597 -3.729 7.786 1.363 1.00 0.00 C ATOM 952 O LYS A 597 -2.556 8.155 1.315 1.00 0.00 O ATOM 953 CB LYS A 597 -5.701 9.252 1.020 1.00 0.00 C ATOM 954 CG LYS A 597 -6.884 9.695 0.185 1.00 0.00 C ATOM 955 CD LYS A 597 -6.453 10.284 -1.137 1.00 0.00 C ATOM 956 CE LYS A 597 -7.547 11.138 -1.733 1.00 0.00 C ATOM 957 NZ LYS A 597 -8.829 10.399 -1.871 1.00 0.00 N ATOM 0 H LYS A 597 -6.480 7.124 -0.025 1.00 0.00 H new ATOM 0 HA LYS A 597 -4.257 8.766 -0.494 1.00 0.00 H new ATOM 0 HB2 LYS A 597 -6.075 8.797 1.938 1.00 0.00 H new ATOM 0 HB3 LYS A 597 -5.131 10.135 1.311 1.00 0.00 H new ATOM 0 HG2 LYS A 597 -7.541 8.844 0.006 1.00 0.00 H new ATOM 0 HG3 LYS A 597 -7.463 10.433 0.739 1.00 0.00 H new ATOM 0 HD2 LYS A 597 -5.555 10.885 -0.996 1.00 0.00 H new ATOM 0 HD3 LYS A 597 -6.195 9.482 -1.829 1.00 0.00 H new ATOM 0 HE2 LYS A 597 -7.702 12.016 -1.105 1.00 0.00 H new ATOM 0 HE3 LYS A 597 -7.231 11.498 -2.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 597 -9.239 10.587 -2.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 597 -8.655 9.379 -1.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 597 -9.492 10.713 -1.134 1.00 0.00 H new ATOM 971 N GLU A 598 -4.196 6.934 2.272 1.00 0.00 N ATOM 972 CA GLU A 598 -3.392 6.433 3.385 1.00 0.00 C ATOM 973 C GLU A 598 -2.158 5.674 2.902 1.00 0.00 C ATOM 974 O GLU A 598 -1.021 5.995 3.266 1.00 0.00 O ATOM 975 CB GLU A 598 -4.241 5.497 4.235 1.00 0.00 C ATOM 976 CG GLU A 598 -5.397 6.178 4.939 1.00 0.00 C ATOM 977 CD GLU A 598 -6.376 5.177 5.515 1.00 0.00 C ATOM 978 OE1 GLU A 598 -5.985 4.410 6.417 1.00 0.00 O ATOM 979 OE2 GLU A 598 -7.537 5.135 5.054 1.00 0.00 O ATOM 0 H GLU A 598 -5.148 6.569 2.258 1.00 0.00 H new ATOM 0 HA GLU A 598 -3.057 7.292 3.966 1.00 0.00 H new ATOM 0 HB2 GLU A 598 -4.633 4.703 3.600 1.00 0.00 H new ATOM 0 HB3 GLU A 598 -3.604 5.023 4.981 1.00 0.00 H new ATOM 0 HG2 GLU A 598 -5.013 6.811 5.739 1.00 0.00 H new ATOM 0 HG3 GLU A 598 -5.916 6.831 4.237 1.00 0.00 H new ATOM 986 N LEU A 599 -2.400 4.660 2.085 1.00 0.00 N ATOM 987 CA LEU A 599 -1.338 3.803 1.573 1.00 0.00 C ATOM 988 C LEU A 599 -0.331 4.644 0.796 1.00 0.00 C ATOM 989 O LEU A 599 0.875 4.423 0.878 1.00 0.00 O ATOM 990 CB LEU A 599 -1.959 2.711 0.687 1.00 0.00 C ATOM 991 CG LEU A 599 -1.072 1.509 0.332 1.00 0.00 C ATOM 992 CD1 LEU A 599 -0.016 1.881 -0.692 1.00 0.00 C ATOM 993 CD2 LEU A 599 -0.423 0.915 1.571 1.00 0.00 C ATOM 0 H LEU A 599 -3.333 4.408 1.759 1.00 0.00 H new ATOM 0 HA LEU A 599 -0.809 3.322 2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 599 -2.852 2.336 1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 599 -2.287 3.176 -0.243 1.00 0.00 H new ATOM 0 HG LEU A 599 -1.720 0.752 -0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 599 0.594 1.007 -0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 599 -0.500 2.233 -1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 599 0.618 2.671 -0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 599 0.198 0.066 1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 599 0.196 1.670 2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -1.197 0.582 2.263 1.00 0.00 H new ATOM 1005 N GLU A 600 -0.835 5.622 0.065 1.00 0.00 N ATOM 1006 CA GLU A 600 0.014 6.554 -0.662 1.00 0.00 C ATOM 1007 C GLU A 600 0.953 7.294 0.293 1.00 0.00 C ATOM 1008 O GLU A 600 2.130 7.467 0.001 1.00 0.00 O ATOM 1009 CB GLU A 600 -0.854 7.553 -1.427 1.00 0.00 C ATOM 1010 CG GLU A 600 -0.070 8.531 -2.276 1.00 0.00 C ATOM 1011 CD GLU A 600 -0.972 9.502 -3.001 1.00 0.00 C ATOM 1012 OE1 GLU A 600 -1.417 9.181 -4.121 1.00 0.00 O ATOM 1013 OE2 GLU A 600 -1.248 10.587 -2.447 1.00 0.00 O ATOM 0 H GLU A 600 -1.835 5.794 -0.042 1.00 0.00 H new ATOM 0 HA GLU A 600 0.624 5.991 -1.369 1.00 0.00 H new ATOM 0 HB2 GLU A 600 -1.543 7.003 -2.068 1.00 0.00 H new ATOM 0 HB3 GLU A 600 -1.460 8.112 -0.714 1.00 0.00 H new ATOM 0 HG2 GLU A 600 0.624 9.084 -1.644 1.00 0.00 H new ATOM 0 HG3 GLU A 600 0.529 7.981 -3.002 1.00 0.00 H new ATOM 1020 N GLN A 601 0.434 7.706 1.446 1.00 0.00 N ATOM 1021 CA GLN A 601 1.228 8.450 2.420 1.00 0.00 C ATOM 1022 C GLN A 601 2.360 7.605 2.989 1.00 0.00 C ATOM 1023 O GLN A 601 3.422 8.132 3.321 1.00 0.00 O ATOM 1024 CB GLN A 601 0.357 8.953 3.569 1.00 0.00 C ATOM 1025 CG GLN A 601 -0.799 9.831 3.133 1.00 0.00 C ATOM 1026 CD GLN A 601 -1.643 10.298 4.300 1.00 0.00 C ATOM 1027 OE1 GLN A 601 -1.773 9.602 5.308 1.00 0.00 O ATOM 1028 NE2 GLN A 601 -2.213 11.484 4.179 1.00 0.00 N ATOM 0 H GLN A 601 -0.531 7.538 1.729 1.00 0.00 H new ATOM 0 HA GLN A 601 1.657 9.300 1.889 1.00 0.00 H new ATOM 0 HB2 GLN A 601 -0.038 8.095 4.113 1.00 0.00 H new ATOM 0 HB3 GLN A 601 0.981 9.513 4.266 1.00 0.00 H new ATOM 0 HG2 GLN A 601 -0.411 10.698 2.599 1.00 0.00 H new ATOM 0 HG3 GLN A 601 -1.426 9.280 2.433 1.00 0.00 H new ATOM 0 HE21 GLN A 601 -2.080 12.029 3.327 1.00 0.00 H new ATOM 0 HE22 GLN A 601 -2.786 11.854 4.937 1.00 0.00 H new ATOM 1037 N VAL A 602 2.139 6.301 3.115 1.00 0.00 N ATOM 1038 CA VAL A 602 3.166 5.422 3.670 1.00 0.00 C ATOM 1039 C VAL A 602 4.292 5.191 2.654 1.00 0.00 C ATOM 1040 O VAL A 602 5.468 5.177 3.015 1.00 0.00 O ATOM 1041 CB VAL A 602 2.584 4.062 4.141 1.00 0.00 C ATOM 1042 CG1 VAL A 602 2.467 3.068 3.000 1.00 0.00 C ATOM 1043 CG2 VAL A 602 3.422 3.467 5.262 1.00 0.00 C ATOM 0 H VAL A 602 1.273 5.833 2.846 1.00 0.00 H new ATOM 0 HA VAL A 602 3.574 5.926 4.546 1.00 0.00 H new ATOM 0 HB VAL A 602 1.581 4.263 4.517 1.00 0.00 H new ATOM 0 HG11 VAL A 602 2.056 2.131 3.375 1.00 0.00 H new ATOM 0 HG12 VAL A 602 1.808 3.472 2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 602 3.453 2.886 2.573 1.00 0.00 H new ATOM 0 HG21 VAL A 602 2.991 2.515 5.572 1.00 0.00 H new ATOM 0 HG22 VAL A 602 4.441 3.307 4.909 1.00 0.00 H new ATOM 0 HG23 VAL A 602 3.435 4.152 6.109 1.00 0.00 H new ATOM 1053 N CYS A 603 3.924 5.021 1.387 1.00 0.00 N ATOM 1054 CA CYS A 603 4.890 4.740 0.328 1.00 0.00 C ATOM 1055 C CYS A 603 5.539 6.017 -0.203 1.00 0.00 C ATOM 1056 O CYS A 603 6.663 5.988 -0.685 1.00 0.00 O ATOM 1057 CB CYS A 603 4.211 3.980 -0.809 1.00 0.00 C ATOM 1058 SG CYS A 603 2.687 4.746 -1.398 1.00 0.00 S ATOM 0 H CYS A 603 2.957 5.073 1.067 1.00 0.00 H new ATOM 0 HA CYS A 603 5.681 4.124 0.755 1.00 0.00 H new ATOM 0 HB2 CYS A 603 4.908 3.895 -1.642 1.00 0.00 H new ATOM 0 HB3 CYS A 603 3.990 2.967 -0.474 1.00 0.00 H new ATOM 0 HG CYS A 603 1.701 4.401 -0.624 1.00 0.00 H new ATOM 1064 N ASN A 604 4.824 7.130 -0.109 1.00 0.00 N ATOM 1065 CA ASN A 604 5.284 8.412 -0.658 1.00 0.00 C ATOM 1066 C ASN A 604 6.724 8.764 -0.231 1.00 0.00 C ATOM 1067 O ASN A 604 7.560 9.048 -1.093 1.00 0.00 O ATOM 1068 CB ASN A 604 4.311 9.528 -0.252 1.00 0.00 C ATOM 1069 CG ASN A 604 4.769 10.909 -0.661 1.00 0.00 C ATOM 1070 OD1 ASN A 604 5.347 11.105 -1.731 1.00 0.00 O ATOM 1071 ND2 ASN A 604 4.523 11.877 0.207 1.00 0.00 N ATOM 0 H ASN A 604 3.912 7.177 0.346 1.00 0.00 H new ATOM 0 HA ASN A 604 5.300 8.315 -1.744 1.00 0.00 H new ATOM 0 HB2 ASN A 604 3.337 9.330 -0.700 1.00 0.00 H new ATOM 0 HB3 ASN A 604 4.175 9.505 0.829 1.00 0.00 H new ATOM 0 HD21 ASN A 604 4.815 12.832 0.002 1.00 0.00 H new ATOM 0 HD22 ASN A 604 4.041 11.668 1.081 1.00 0.00 H new ATOM 1078 N PRO A 605 7.058 8.744 1.081 1.00 0.00 N ATOM 1079 CA PRO A 605 8.422 9.040 1.546 1.00 0.00 C ATOM 1080 C PRO A 605 9.453 8.069 0.984 1.00 0.00 C ATOM 1081 O PRO A 605 10.606 8.425 0.755 1.00 0.00 O ATOM 1082 CB PRO A 605 8.323 8.906 3.065 1.00 0.00 C ATOM 1083 CG PRO A 605 6.883 9.118 3.351 1.00 0.00 C ATOM 1084 CD PRO A 605 6.166 8.459 2.219 1.00 0.00 C ATOM 0 HA PRO A 605 8.757 10.024 1.218 1.00 0.00 H new ATOM 0 HB2 PRO A 605 8.656 7.924 3.402 1.00 0.00 H new ATOM 0 HB3 PRO A 605 8.944 9.645 3.572 1.00 0.00 H new ATOM 0 HG2 PRO A 605 6.601 8.678 4.307 1.00 0.00 H new ATOM 0 HG3 PRO A 605 6.643 10.180 3.406 1.00 0.00 H new ATOM 0 HD2 PRO A 605 6.043 7.388 2.382 1.00 0.00 H new ATOM 0 HD3 PRO A 605 5.170 8.875 2.070 1.00 0.00 H new ATOM 1092 N ILE A 606 9.015 6.848 0.745 1.00 0.00 N ATOM 1093 CA ILE A 606 9.881 5.800 0.240 1.00 0.00 C ATOM 1094 C ILE A 606 10.046 5.933 -1.279 1.00 0.00 C ATOM 1095 O ILE A 606 11.141 5.776 -1.815 1.00 0.00 O ATOM 1096 CB ILE A 606 9.332 4.407 0.634 1.00 0.00 C ATOM 1097 CG1 ILE A 606 8.665 3.722 -0.555 1.00 0.00 C ATOM 1098 CG2 ILE A 606 8.356 4.524 1.803 1.00 0.00 C ATOM 1099 CD1 ILE A 606 7.711 2.623 -0.171 1.00 0.00 C ATOM 0 H ILE A 606 8.050 6.555 0.895 1.00 0.00 H new ATOM 0 HA ILE A 606 10.867 5.906 0.693 1.00 0.00 H new ATOM 0 HB ILE A 606 10.175 3.791 0.948 1.00 0.00 H new ATOM 0 HG12 ILE A 606 8.127 4.470 -1.137 1.00 0.00 H new ATOM 0 HG13 ILE A 606 9.437 3.309 -1.204 1.00 0.00 H new ATOM 0 HG21 ILE A 606 7.981 3.534 2.065 1.00 0.00 H new ATOM 0 HG22 ILE A 606 8.868 4.957 2.662 1.00 0.00 H new ATOM 0 HG23 ILE A 606 7.521 5.164 1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 606 7.278 2.186 -1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 606 8.247 1.853 0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 606 6.916 3.033 0.452 1.00 0.00 H new ATOM 1111 N ILE A 607 8.949 6.262 -1.955 1.00 0.00 N ATOM 1112 CA ILE A 607 8.933 6.434 -3.398 1.00 0.00 C ATOM 1113 C ILE A 607 9.811 7.620 -3.802 1.00 0.00 C ATOM 1114 O ILE A 607 10.419 7.625 -4.871 1.00 0.00 O ATOM 1115 CB ILE A 607 7.471 6.605 -3.900 1.00 0.00 C ATOM 1116 CG1 ILE A 607 6.939 5.287 -4.477 1.00 0.00 C ATOM 1117 CG2 ILE A 607 7.340 7.722 -4.920 1.00 0.00 C ATOM 1118 CD1 ILE A 607 6.826 4.169 -3.462 1.00 0.00 C ATOM 0 H ILE A 607 8.043 6.417 -1.512 1.00 0.00 H new ATOM 0 HA ILE A 607 9.346 5.543 -3.870 1.00 0.00 H new ATOM 0 HB ILE A 607 6.867 6.883 -3.036 1.00 0.00 H new ATOM 0 HG12 ILE A 607 5.957 5.465 -4.916 1.00 0.00 H new ATOM 0 HG13 ILE A 607 7.596 4.965 -5.285 1.00 0.00 H new ATOM 0 HG21 ILE A 607 6.301 7.802 -5.240 1.00 0.00 H new ATOM 0 HG22 ILE A 607 7.655 8.664 -4.471 1.00 0.00 H new ATOM 0 HG23 ILE A 607 7.970 7.503 -5.782 1.00 0.00 H new ATOM 0 HD11 ILE A 607 6.443 3.272 -3.949 1.00 0.00 H new ATOM 0 HD12 ILE A 607 7.809 3.960 -3.040 1.00 0.00 H new ATOM 0 HD13 ILE A 607 6.145 4.468 -2.665 1.00 0.00 H new ATOM 1130 N SER A 608 9.912 8.599 -2.911 1.00 0.00 N ATOM 1131 CA SER A 608 10.738 9.763 -3.138 1.00 0.00 C ATOM 1132 C SER A 608 12.233 9.410 -3.116 1.00 0.00 C ATOM 1133 O SER A 608 13.076 10.221 -3.504 1.00 0.00 O ATOM 1134 CB SER A 608 10.411 10.801 -2.069 1.00 0.00 C ATOM 1135 OG SER A 608 9.031 11.143 -2.102 1.00 0.00 O ATOM 0 H SER A 608 9.423 8.602 -2.016 1.00 0.00 H new ATOM 0 HA SER A 608 10.525 10.166 -4.128 1.00 0.00 H new ATOM 0 HB2 SER A 608 10.670 10.410 -1.085 1.00 0.00 H new ATOM 0 HB3 SER A 608 11.015 11.694 -2.226 1.00 0.00 H new ATOM 0 HG SER A 608 8.504 10.413 -1.716 1.00 0.00 H new ATOM 1141 N GLY A 609 12.550 8.199 -2.666 1.00 0.00 N ATOM 1142 CA GLY A 609 13.928 7.744 -2.655 1.00 0.00 C ATOM 1143 C GLY A 609 14.145 6.592 -3.614 1.00 0.00 C ATOM 1144 O GLY A 609 15.272 6.136 -3.811 1.00 0.00 O ATOM 0 H GLY A 609 11.875 7.524 -2.308 1.00 0.00 H new ATOM 0 HA2 GLY A 609 14.586 8.570 -2.924 1.00 0.00 H new ATOM 0 HA3 GLY A 609 14.201 7.434 -1.646 1.00 0.00 H new ATOM 1148 N LEU A 610 13.056 6.138 -4.219 1.00 0.00 N ATOM 1149 CA LEU A 610 13.094 5.029 -5.159 1.00 0.00 C ATOM 1150 C LEU A 610 13.298 5.539 -6.576 1.00 0.00 C ATOM 1151 O LEU A 610 12.324 6.041 -7.177 1.00 0.00 O ATOM 1152 CB LEU A 610 11.796 4.219 -5.074 1.00 0.00 C ATOM 1153 CG LEU A 610 11.645 3.358 -3.821 1.00 0.00 C ATOM 1154 CD1 LEU A 610 10.306 2.636 -3.829 1.00 0.00 C ATOM 1155 CD2 LEU A 610 12.785 2.356 -3.727 1.00 0.00 C ATOM 1156 OXT LEU A 610 14.428 5.443 -7.088 1.00 0.00 O ATOM 0 H LEU A 610 12.125 6.527 -4.072 1.00 0.00 H new ATOM 0 HA LEU A 610 13.932 4.383 -4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 610 10.953 4.908 -5.125 1.00 0.00 H new ATOM 0 HB3 LEU A 610 11.733 3.572 -5.949 1.00 0.00 H new ATOM 0 HG LEU A 610 11.681 4.010 -2.948 1.00 0.00 H new ATOM 0 HD11 LEU A 610 10.215 2.027 -2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 610 9.498 3.368 -3.855 1.00 0.00 H new ATOM 0 HD13 LEU A 610 10.244 1.995 -4.708 1.00 0.00 H new ATOM 0 HD21 LEU A 610 12.664 1.750 -2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 610 12.775 1.710 -4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 610 13.735 2.889 -3.679 1.00 0.00 H new TER 1168 LEU A 610