USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=21 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 -23:sc= 0.326 USER MOD Single : A 539 LYS NZ :NH3+ 166:sc= 1.25 (180deg=0.796) USER MOD Single : A 540 ASN : amide:sc= -0.453 K(o=-0.45,f=-2.4!) USER MOD Single : A 544 SER OG : rot 180:sc= 0 USER MOD Single : A 545 TYR OH : rot 180:sc= -0.0129 USER MOD Single : A 548 ASN : amide:sc= -0.186 K(o=-0.19,f=-1.8!) USER MOD Single : A 549 MET CE :methyl 146:sc= -1.17 (180deg=-2.89!) USER MOD Single : A 550 LYS NZ :NH3+ 180:sc= -0.0446 (180deg=-0.0446) USER MOD Single : A 551 SER OG : rot 180:sc= 0 USER MOD Single : A 559 LYS NZ :NH3+ 165:sc= -0.0456 (180deg=-0.288) 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+ -163:sc= 1.24 (180deg=0.862) USER MOD Single : A 568 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0574) USER MOD Single : A 569 LYS NZ :NH3+ 141:sc= -1.3 (180deg=-3.34!) USER MOD Single : A 573 LYS NZ :NH3+ -149:sc= -0.44 (180deg=-2.21) USER MOD Single : A 574 CYS SG : rot -124:sc= -3.5! USER MOD Single : A 575 GLN : amide:sc= -1.48 K(o=-1.5,f=0) USER MOD Single : A 579 SER OG : rot 74:sc= 0.793 USER MOD Single : A 584 ASN : amide:sc= -2.87! K(o=-2.9!,f=-0.0065) USER MOD Single : A 585 THR OG1 : rot -70:sc= 0.402 USER MOD Single : A 589 LYS NZ :NH3+ 131:sc= 1.76 (180deg=0.14) USER MOD Single : A 594 HIS : no HE2:sc= 0.86 K(o=0.86,f=-2.6!) USER MOD Single : A 595 LYS NZ :NH3+ 156:sc= 1.18 (180deg=0.877) USER MOD Single : A 597 LYS NZ :NH3+ 166:sc=-0.00386 (180deg=-0.151) USER MOD Single : A 601 GLN : amide:sc= -0.788 K(o=-0.79,f=0) USER MOD Single : A 603 CYS SG : rot -68:sc= -2.02! USER MOD Single : A 604 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 608 SER OG : rot 70:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 537 -13.375 0.175 -10.115 1.00 0.00 N ATOM 2 CA SER A 537 -13.084 -0.844 -9.084 1.00 0.00 C ATOM 3 C SER A 537 -12.036 -0.334 -8.095 1.00 0.00 C ATOM 4 O SER A 537 -10.830 -0.486 -8.311 1.00 0.00 O ATOM 5 CB SER A 537 -12.623 -2.133 -9.763 1.00 0.00 C ATOM 6 OG SER A 537 -11.699 -1.866 -10.807 1.00 0.00 O ATOM 0 HA SER A 537 -13.991 -1.050 -8.516 1.00 0.00 H new ATOM 0 HB2 SER A 537 -12.161 -2.790 -9.026 1.00 0.00 H new ATOM 0 HB3 SER A 537 -13.486 -2.663 -10.166 1.00 0.00 H new ATOM 0 HG SER A 537 -11.821 -0.947 -11.125 1.00 0.00 H new ATOM 12 N ALA A 538 -12.501 0.260 -6.998 1.00 0.00 N ATOM 13 CA ALA A 538 -11.607 0.882 -6.030 1.00 0.00 C ATOM 14 C ALA A 538 -10.828 -0.157 -5.234 1.00 0.00 C ATOM 15 O ALA A 538 -9.665 0.061 -4.914 1.00 0.00 O ATOM 16 CB ALA A 538 -12.374 1.804 -5.091 1.00 0.00 C ATOM 0 H ALA A 538 -13.491 0.323 -6.759 1.00 0.00 H new ATOM 0 HA ALA A 538 -10.889 1.479 -6.593 1.00 0.00 H new ATOM 0 HB1 ALA A 538 -11.683 2.255 -4.379 1.00 0.00 H new ATOM 0 HB2 ALA A 538 -12.862 2.588 -5.670 1.00 0.00 H new ATOM 0 HB3 ALA A 538 -13.127 1.229 -4.552 1.00 0.00 H new ATOM 22 N LYS A 539 -11.457 -1.285 -4.916 1.00 0.00 N ATOM 23 CA LYS A 539 -10.765 -2.345 -4.188 1.00 0.00 C ATOM 24 C LYS A 539 -9.665 -2.936 -5.053 1.00 0.00 C ATOM 25 O LYS A 539 -8.556 -3.192 -4.584 1.00 0.00 O ATOM 26 CB LYS A 539 -11.733 -3.447 -3.747 1.00 0.00 C ATOM 27 CG LYS A 539 -11.099 -4.458 -2.806 1.00 0.00 C ATOM 28 CD LYS A 539 -10.847 -5.787 -3.493 1.00 0.00 C ATOM 29 CE LYS A 539 -9.753 -6.555 -2.778 1.00 0.00 C ATOM 30 NZ LYS A 539 -9.515 -7.902 -3.367 1.00 0.00 N ATOM 0 H LYS A 539 -12.430 -1.488 -5.146 1.00 0.00 H new ATOM 0 HA LYS A 539 -10.327 -1.905 -3.292 1.00 0.00 H new ATOM 0 HB2 LYS A 539 -12.593 -2.991 -3.255 1.00 0.00 H new ATOM 0 HB3 LYS A 539 -12.108 -3.966 -4.629 1.00 0.00 H new ATOM 0 HG2 LYS A 539 -10.158 -4.061 -2.427 1.00 0.00 H new ATOM 0 HG3 LYS A 539 -11.750 -4.611 -1.945 1.00 0.00 H new ATOM 0 HD2 LYS A 539 -11.764 -6.376 -3.506 1.00 0.00 H new ATOM 0 HD3 LYS A 539 -10.562 -5.618 -4.531 1.00 0.00 H new ATOM 0 HE2 LYS A 539 -8.828 -5.979 -2.814 1.00 0.00 H new ATOM 0 HE3 LYS A 539 -10.020 -6.665 -1.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 539 -8.618 -8.285 -3.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 539 -10.294 -8.539 -3.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 539 -9.467 -7.824 -4.403 1.00 0.00 H new ATOM 44 N ASN A 540 -9.987 -3.142 -6.321 1.00 0.00 N ATOM 45 CA ASN A 540 -9.028 -3.656 -7.288 1.00 0.00 C ATOM 46 C ASN A 540 -7.871 -2.679 -7.449 1.00 0.00 C ATOM 47 O ASN A 540 -6.711 -3.079 -7.527 1.00 0.00 O ATOM 48 CB ASN A 540 -9.708 -3.896 -8.637 1.00 0.00 C ATOM 49 CG ASN A 540 -10.736 -5.011 -8.594 1.00 0.00 C ATOM 50 OD1 ASN A 540 -11.250 -5.375 -7.535 1.00 0.00 O ATOM 51 ND2 ASN A 540 -11.082 -5.518 -9.757 1.00 0.00 N ATOM 0 H ASN A 540 -10.913 -2.959 -6.707 1.00 0.00 H new ATOM 0 HA ASN A 540 -8.638 -4.606 -6.921 1.00 0.00 H new ATOM 0 HB2 ASN A 540 -10.192 -2.975 -8.962 1.00 0.00 H new ATOM 0 HB3 ASN A 540 -8.950 -4.137 -9.382 1.00 0.00 H new ATOM 0 HD21 ASN A 540 -11.801 -6.240 -9.805 1.00 0.00 H new ATOM 0 HD22 ASN A 540 -10.632 -5.189 -10.611 1.00 0.00 H new ATOM 58 N ALA A 541 -8.199 -1.390 -7.490 1.00 0.00 N ATOM 59 CA ALA A 541 -7.187 -0.345 -7.539 1.00 0.00 C ATOM 60 C ALA A 541 -6.348 -0.353 -6.270 1.00 0.00 C ATOM 61 O ALA A 541 -5.124 -0.334 -6.324 1.00 0.00 O ATOM 62 CB ALA A 541 -7.834 1.018 -7.729 1.00 0.00 C ATOM 0 H ALA A 541 -9.159 -1.047 -7.490 1.00 0.00 H new ATOM 0 HA ALA A 541 -6.535 -0.543 -8.390 1.00 0.00 H new ATOM 0 HB1 ALA A 541 -7.061 1.786 -7.763 1.00 0.00 H new ATOM 0 HB2 ALA A 541 -8.396 1.027 -8.663 1.00 0.00 H new ATOM 0 HB3 ALA A 541 -8.509 1.219 -6.897 1.00 0.00 H new ATOM 68 N LEU A 542 -7.024 -0.413 -5.131 1.00 0.00 N ATOM 69 CA LEU A 542 -6.371 -0.342 -3.830 1.00 0.00 C ATOM 70 C LEU A 542 -5.431 -1.507 -3.596 1.00 0.00 C ATOM 71 O LEU A 542 -4.289 -1.318 -3.181 1.00 0.00 O ATOM 72 CB LEU A 542 -7.419 -0.329 -2.725 1.00 0.00 C ATOM 73 CG LEU A 542 -7.385 0.878 -1.819 1.00 0.00 C ATOM 74 CD1 LEU A 542 -6.039 1.004 -1.151 1.00 0.00 C ATOM 75 CD2 LEU A 542 -7.689 2.126 -2.609 1.00 0.00 C ATOM 0 H LEU A 542 -8.038 -0.512 -5.082 1.00 0.00 H new ATOM 0 HA LEU A 542 -5.785 0.577 -3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 542 -8.406 -0.392 -3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 542 -7.292 -1.224 -2.116 1.00 0.00 H new ATOM 0 HG LEU A 542 -8.143 0.751 -1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 542 -6.035 1.880 -0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 542 -5.843 0.112 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 542 -5.265 1.112 -1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 542 -7.662 2.991 -1.947 1.00 0.00 H new ATOM 0 HD22 LEU A 542 -6.945 2.248 -3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 542 -8.680 2.042 -3.056 1.00 0.00 H new ATOM 87 N GLU A 543 -5.909 -2.710 -3.866 1.00 0.00 N ATOM 88 CA GLU A 543 -5.133 -3.894 -3.606 1.00 0.00 C ATOM 89 C GLU A 543 -3.942 -3.952 -4.548 1.00 0.00 C ATOM 90 O GLU A 543 -2.843 -4.325 -4.150 1.00 0.00 O ATOM 91 CB GLU A 543 -6.005 -5.132 -3.758 1.00 0.00 C ATOM 92 CG GLU A 543 -5.478 -6.320 -2.983 1.00 0.00 C ATOM 93 CD GLU A 543 -6.070 -7.627 -3.458 1.00 0.00 C ATOM 94 OE1 GLU A 543 -5.650 -8.119 -4.524 1.00 0.00 O ATOM 95 OE2 GLU A 543 -6.974 -8.157 -2.781 1.00 0.00 O ATOM 0 H GLU A 543 -6.831 -2.885 -4.265 1.00 0.00 H new ATOM 0 HA GLU A 543 -4.760 -3.861 -2.582 1.00 0.00 H new ATOM 0 HB2 GLU A 543 -7.015 -4.903 -3.420 1.00 0.00 H new ATOM 0 HB3 GLU A 543 -6.074 -5.395 -4.814 1.00 0.00 H new ATOM 0 HG2 GLU A 543 -4.393 -6.360 -3.078 1.00 0.00 H new ATOM 0 HG3 GLU A 543 -5.700 -6.187 -1.924 1.00 0.00 H new ATOM 102 N SER A 544 -4.167 -3.554 -5.792 1.00 0.00 N ATOM 103 CA SER A 544 -3.100 -3.491 -6.777 1.00 0.00 C ATOM 104 C SER A 544 -2.091 -2.413 -6.380 1.00 0.00 C ATOM 105 O SER A 544 -0.886 -2.613 -6.481 1.00 0.00 O ATOM 106 CB SER A 544 -3.688 -3.195 -8.157 1.00 0.00 C ATOM 107 OG SER A 544 -2.723 -3.347 -9.181 1.00 0.00 O ATOM 0 H SER A 544 -5.082 -3.269 -6.142 1.00 0.00 H new ATOM 0 HA SER A 544 -2.585 -4.451 -6.816 1.00 0.00 H new ATOM 0 HB2 SER A 544 -4.527 -3.864 -8.346 1.00 0.00 H new ATOM 0 HB3 SER A 544 -4.080 -2.178 -8.175 1.00 0.00 H new ATOM 0 HG SER A 544 -3.134 -3.152 -10.049 1.00 0.00 H new ATOM 113 N TYR A 545 -2.604 -1.283 -5.904 1.00 0.00 N ATOM 114 CA TYR A 545 -1.776 -0.171 -5.455 1.00 0.00 C ATOM 115 C TYR A 545 -0.905 -0.610 -4.280 1.00 0.00 C ATOM 116 O TYR A 545 0.309 -0.392 -4.275 1.00 0.00 O ATOM 117 CB TYR A 545 -2.684 0.995 -5.036 1.00 0.00 C ATOM 118 CG TYR A 545 -2.001 2.340 -4.915 1.00 0.00 C ATOM 119 CD1 TYR A 545 -0.962 2.542 -4.021 1.00 0.00 C ATOM 120 CD2 TYR A 545 -2.416 3.414 -5.691 1.00 0.00 C ATOM 121 CE1 TYR A 545 -0.349 3.774 -3.904 1.00 0.00 C ATOM 122 CE2 TYR A 545 -1.808 4.652 -5.583 1.00 0.00 C ATOM 123 CZ TYR A 545 -0.772 4.826 -4.688 1.00 0.00 C ATOM 124 OH TYR A 545 -0.163 6.055 -4.574 1.00 0.00 O ATOM 0 H TYR A 545 -3.606 -1.113 -5.819 1.00 0.00 H new ATOM 0 HA TYR A 545 -1.124 0.151 -6.267 1.00 0.00 H new ATOM 0 HB2 TYR A 545 -3.493 1.082 -5.761 1.00 0.00 H new ATOM 0 HB3 TYR A 545 -3.140 0.751 -4.077 1.00 0.00 H new ATOM 0 HD1 TYR A 545 -0.625 1.721 -3.405 1.00 0.00 H new ATOM 0 HD2 TYR A 545 -3.228 3.281 -6.391 1.00 0.00 H new ATOM 0 HE1 TYR A 545 0.459 3.913 -3.201 1.00 0.00 H new ATOM 0 HE2 TYR A 545 -2.142 5.477 -6.195 1.00 0.00 H new ATOM 0 HH TYR A 545 -0.580 6.686 -5.198 1.00 0.00 H new ATOM 134 N ALA A 546 -1.529 -1.246 -3.297 1.00 0.00 N ATOM 135 CA ALA A 546 -0.817 -1.714 -2.125 1.00 0.00 C ATOM 136 C ALA A 546 0.181 -2.795 -2.510 1.00 0.00 C ATOM 137 O ALA A 546 1.325 -2.781 -2.060 1.00 0.00 O ATOM 138 CB ALA A 546 -1.797 -2.218 -1.078 1.00 0.00 C ATOM 0 H ALA A 546 -2.529 -1.448 -3.292 1.00 0.00 H new ATOM 0 HA ALA A 546 -0.262 -0.881 -1.693 1.00 0.00 H new ATOM 0 HB1 ALA A 546 -1.248 -2.566 -0.203 1.00 0.00 H new ATOM 0 HB2 ALA A 546 -2.467 -1.409 -0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 546 -2.380 -3.041 -1.492 1.00 0.00 H new ATOM 144 N PHE A 547 -0.260 -3.716 -3.366 1.00 0.00 N ATOM 145 CA PHE A 547 0.612 -4.751 -3.904 1.00 0.00 C ATOM 146 C PHE A 547 1.805 -4.126 -4.621 1.00 0.00 C ATOM 147 O PHE A 547 2.932 -4.590 -4.487 1.00 0.00 O ATOM 148 CB PHE A 547 -0.153 -5.645 -4.879 1.00 0.00 C ATOM 149 CG PHE A 547 -0.534 -6.989 -4.317 1.00 0.00 C ATOM 150 CD1 PHE A 547 -1.589 -7.115 -3.429 1.00 0.00 C ATOM 151 CD2 PHE A 547 0.162 -8.128 -4.688 1.00 0.00 C ATOM 152 CE1 PHE A 547 -1.942 -8.351 -2.922 1.00 0.00 C ATOM 153 CE2 PHE A 547 -0.185 -9.366 -4.182 1.00 0.00 C ATOM 154 CZ PHE A 547 -1.238 -9.478 -3.298 1.00 0.00 C ATOM 0 H PHE A 547 -1.222 -3.763 -3.701 1.00 0.00 H new ATOM 0 HA PHE A 547 0.970 -5.355 -3.070 1.00 0.00 H new ATOM 0 HB2 PHE A 547 -1.058 -5.127 -5.196 1.00 0.00 H new ATOM 0 HB3 PHE A 547 0.456 -5.796 -5.770 1.00 0.00 H new ATOM 0 HD1 PHE A 547 -2.142 -6.237 -3.129 1.00 0.00 H new ATOM 0 HD2 PHE A 547 0.986 -8.047 -5.381 1.00 0.00 H new ATOM 0 HE1 PHE A 547 -2.768 -8.436 -2.232 1.00 0.00 H new ATOM 0 HE2 PHE A 547 0.368 -10.245 -4.478 1.00 0.00 H new ATOM 0 HZ PHE A 547 -1.511 -10.445 -2.901 1.00 0.00 H new ATOM 164 N ASN A 548 1.540 -3.066 -5.375 1.00 0.00 N ATOM 165 CA ASN A 548 2.572 -2.382 -6.151 1.00 0.00 C ATOM 166 C ASN A 548 3.666 -1.806 -5.263 1.00 0.00 C ATOM 167 O ASN A 548 4.849 -2.037 -5.507 1.00 0.00 O ATOM 168 CB ASN A 548 1.955 -1.267 -7.003 1.00 0.00 C ATOM 169 CG ASN A 548 1.486 -1.761 -8.358 1.00 0.00 C ATOM 170 OD1 ASN A 548 2.024 -2.730 -8.900 1.00 0.00 O ATOM 171 ND2 ASN A 548 0.497 -1.087 -8.925 1.00 0.00 N ATOM 0 H ASN A 548 0.610 -2.657 -5.467 1.00 0.00 H new ATOM 0 HA ASN A 548 3.028 -3.127 -6.804 1.00 0.00 H new ATOM 0 HB2 ASN A 548 1.112 -0.830 -6.468 1.00 0.00 H new ATOM 0 HB3 ASN A 548 2.689 -0.474 -7.144 1.00 0.00 H new ATOM 0 HD21 ASN A 548 0.153 -1.364 -9.844 1.00 0.00 H new ATOM 0 HD22 ASN A 548 0.080 -0.291 -8.442 1.00 0.00 H new ATOM 178 N MET A 549 3.280 -1.066 -4.230 1.00 0.00 N ATOM 179 CA MET A 549 4.251 -0.454 -3.332 1.00 0.00 C ATOM 180 C MET A 549 5.011 -1.528 -2.567 1.00 0.00 C ATOM 181 O MET A 549 6.228 -1.461 -2.398 1.00 0.00 O ATOM 182 CB MET A 549 3.534 0.473 -2.360 1.00 0.00 C ATOM 183 CG MET A 549 2.620 1.488 -3.031 1.00 0.00 C ATOM 184 SD MET A 549 3.501 2.697 -4.045 1.00 0.00 S ATOM 185 CE MET A 549 3.637 1.816 -5.594 1.00 0.00 C ATOM 0 H MET A 549 2.306 -0.876 -3.994 1.00 0.00 H new ATOM 0 HA MET A 549 4.965 0.124 -3.919 1.00 0.00 H new ATOM 0 HB2 MET A 549 2.945 -0.129 -1.668 1.00 0.00 H new ATOM 0 HB3 MET A 549 4.277 1.005 -1.767 1.00 0.00 H new ATOM 0 HG2 MET A 549 1.900 0.959 -3.655 1.00 0.00 H new ATOM 0 HG3 MET A 549 2.051 2.015 -2.265 1.00 0.00 H new ATOM 0 HE1 MET A 549 3.574 2.523 -6.421 1.00 0.00 H new ATOM 0 HE2 MET A 549 4.594 1.296 -5.634 1.00 0.00 H new ATOM 0 HE3 MET A 549 2.826 1.091 -5.673 1.00 0.00 H new ATOM 195 N LYS A 550 4.262 -2.523 -2.123 1.00 0.00 N ATOM 196 CA LYS A 550 4.810 -3.680 -1.436 1.00 0.00 C ATOM 197 C LYS A 550 5.812 -4.423 -2.323 1.00 0.00 C ATOM 198 O LYS A 550 6.894 -4.797 -1.874 1.00 0.00 O ATOM 199 CB LYS A 550 3.642 -4.581 -1.014 1.00 0.00 C ATOM 200 CG LYS A 550 3.981 -6.038 -0.785 1.00 0.00 C ATOM 201 CD LYS A 550 2.855 -6.720 -0.034 1.00 0.00 C ATOM 202 CE LYS A 550 3.007 -6.536 1.465 1.00 0.00 C ATOM 203 NZ LYS A 550 3.582 -7.753 2.097 1.00 0.00 N ATOM 0 H LYS A 550 3.248 -2.551 -2.230 1.00 0.00 H new ATOM 0 HA LYS A 550 5.361 -3.365 -0.550 1.00 0.00 H new ATOM 0 HB2 LYS A 550 3.212 -4.179 -0.097 1.00 0.00 H new ATOM 0 HB3 LYS A 550 2.869 -4.524 -1.780 1.00 0.00 H new ATOM 0 HG2 LYS A 550 4.146 -6.536 -1.740 1.00 0.00 H new ATOM 0 HG3 LYS A 550 4.909 -6.119 -0.219 1.00 0.00 H new ATOM 0 HD2 LYS A 550 1.898 -6.312 -0.358 1.00 0.00 H new ATOM 0 HD3 LYS A 550 2.846 -7.783 -0.274 1.00 0.00 H new ATOM 0 HE2 LYS A 550 3.650 -5.679 1.666 1.00 0.00 H new ATOM 0 HE3 LYS A 550 2.036 -6.316 1.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 550 3.676 -7.601 3.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 550 2.954 -8.564 1.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 550 4.519 -7.947 1.689 1.00 0.00 H new ATOM 217 N SER A 551 5.449 -4.630 -3.576 1.00 0.00 N ATOM 218 CA SER A 551 6.324 -5.291 -4.529 1.00 0.00 C ATOM 219 C SER A 551 7.554 -4.436 -4.824 1.00 0.00 C ATOM 220 O SER A 551 8.644 -4.960 -4.993 1.00 0.00 O ATOM 221 CB SER A 551 5.559 -5.579 -5.822 1.00 0.00 C ATOM 222 OG SER A 551 6.277 -6.451 -6.680 1.00 0.00 O ATOM 0 H SER A 551 4.547 -4.348 -3.960 1.00 0.00 H new ATOM 0 HA SER A 551 6.662 -6.232 -4.094 1.00 0.00 H new ATOM 0 HB2 SER A 551 4.593 -6.022 -5.581 1.00 0.00 H new ATOM 0 HB3 SER A 551 5.359 -4.642 -6.342 1.00 0.00 H new ATOM 0 HG SER A 551 5.755 -6.612 -7.494 1.00 0.00 H new ATOM 228 N ALA A 552 7.366 -3.123 -4.882 1.00 0.00 N ATOM 229 CA ALA A 552 8.449 -2.203 -5.228 1.00 0.00 C ATOM 230 C ALA A 552 9.588 -2.244 -4.209 1.00 0.00 C ATOM 231 O ALA A 552 10.760 -2.304 -4.575 1.00 0.00 O ATOM 232 CB ALA A 552 7.914 -0.786 -5.361 1.00 0.00 C ATOM 0 H ALA A 552 6.473 -2.668 -4.694 1.00 0.00 H new ATOM 0 HA ALA A 552 8.857 -2.527 -6.185 1.00 0.00 H new ATOM 0 HB1 ALA A 552 8.731 -0.111 -5.619 1.00 0.00 H new ATOM 0 HB2 ALA A 552 7.157 -0.755 -6.144 1.00 0.00 H new ATOM 0 HB3 ALA A 552 7.471 -0.474 -4.415 1.00 0.00 H new ATOM 238 N VAL A 553 9.246 -2.224 -2.930 1.00 0.00 N ATOM 239 CA VAL A 553 10.254 -2.227 -1.876 1.00 0.00 C ATOM 240 C VAL A 553 10.858 -3.614 -1.695 1.00 0.00 C ATOM 241 O VAL A 553 12.042 -3.765 -1.393 1.00 0.00 O ATOM 242 CB VAL A 553 9.666 -1.742 -0.545 1.00 0.00 C ATOM 243 CG1 VAL A 553 9.199 -0.311 -0.701 1.00 0.00 C ATOM 244 CG2 VAL A 553 8.515 -2.631 -0.097 1.00 0.00 C ATOM 0 H VAL A 553 8.283 -2.206 -2.596 1.00 0.00 H new ATOM 0 HA VAL A 553 11.042 -1.539 -2.183 1.00 0.00 H new ATOM 0 HB VAL A 553 10.439 -1.793 0.222 1.00 0.00 H new ATOM 0 HG11 VAL A 553 8.780 0.040 0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 553 10.044 0.319 -0.979 1.00 0.00 H new ATOM 0 HG13 VAL A 553 8.437 -0.260 -1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 553 8.118 -2.263 0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 553 7.728 -2.615 -0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 553 8.873 -3.652 0.032 1.00 0.00 H new ATOM 254 N GLU A 554 10.023 -4.620 -1.882 1.00 0.00 N ATOM 255 CA GLU A 554 10.430 -6.006 -1.754 1.00 0.00 C ATOM 256 C GLU A 554 10.951 -6.582 -3.071 1.00 0.00 C ATOM 257 O GLU A 554 11.257 -7.773 -3.162 1.00 0.00 O ATOM 258 CB GLU A 554 9.240 -6.801 -1.242 1.00 0.00 C ATOM 259 CG GLU A 554 9.372 -7.195 0.213 1.00 0.00 C ATOM 260 CD GLU A 554 10.357 -8.328 0.431 1.00 0.00 C ATOM 261 OE1 GLU A 554 11.578 -8.096 0.299 1.00 0.00 O ATOM 262 OE2 GLU A 554 9.917 -9.451 0.752 1.00 0.00 O ATOM 0 H GLU A 554 9.041 -4.498 -2.128 1.00 0.00 H new ATOM 0 HA GLU A 554 11.260 -6.070 -1.050 1.00 0.00 H new ATOM 0 HB2 GLU A 554 8.333 -6.210 -1.372 1.00 0.00 H new ATOM 0 HB3 GLU A 554 9.124 -7.700 -1.847 1.00 0.00 H new ATOM 0 HG2 GLU A 554 9.690 -6.328 0.792 1.00 0.00 H new ATOM 0 HG3 GLU A 554 8.395 -7.492 0.594 1.00 0.00 H new ATOM 269 N ASP A 555 11.051 -5.735 -4.083 1.00 0.00 N ATOM 270 CA ASP A 555 11.527 -6.152 -5.401 1.00 0.00 C ATOM 271 C ASP A 555 12.987 -6.580 -5.358 1.00 0.00 C ATOM 272 O ASP A 555 13.819 -5.960 -4.688 1.00 0.00 O ATOM 273 CB ASP A 555 11.347 -5.034 -6.428 1.00 0.00 C ATOM 274 CG ASP A 555 11.889 -5.408 -7.792 1.00 0.00 C ATOM 275 OD1 ASP A 555 11.300 -6.285 -8.459 1.00 0.00 O ATOM 276 OD2 ASP A 555 12.921 -4.844 -8.194 1.00 0.00 O ATOM 0 H ASP A 555 10.808 -4.746 -4.020 1.00 0.00 H new ATOM 0 HA ASP A 555 10.925 -7.010 -5.702 1.00 0.00 H new ATOM 0 HB2 ASP A 555 10.288 -4.792 -6.515 1.00 0.00 H new ATOM 0 HB3 ASP A 555 11.851 -4.135 -6.074 1.00 0.00 H new ATOM 281 N GLU A 556 13.274 -7.661 -6.064 1.00 0.00 N ATOM 282 CA GLU A 556 14.608 -8.247 -6.113 1.00 0.00 C ATOM 283 C GLU A 556 15.600 -7.413 -6.922 1.00 0.00 C ATOM 284 O GLU A 556 16.788 -7.729 -6.955 1.00 0.00 O ATOM 285 CB GLU A 556 14.546 -9.650 -6.690 1.00 0.00 C ATOM 286 CG GLU A 556 13.748 -9.737 -7.979 1.00 0.00 C ATOM 287 CD GLU A 556 13.789 -11.114 -8.600 1.00 0.00 C ATOM 288 OE1 GLU A 556 13.282 -12.069 -7.980 1.00 0.00 O ATOM 289 OE2 GLU A 556 14.341 -11.250 -9.710 1.00 0.00 O ATOM 0 H GLU A 556 12.584 -8.162 -6.624 1.00 0.00 H new ATOM 0 HA GLU A 556 14.968 -8.275 -5.085 1.00 0.00 H new ATOM 0 HB2 GLU A 556 15.560 -10.004 -6.875 1.00 0.00 H new ATOM 0 HB3 GLU A 556 14.104 -10.319 -5.952 1.00 0.00 H new ATOM 0 HG2 GLU A 556 12.712 -9.464 -7.779 1.00 0.00 H new ATOM 0 HG3 GLU A 556 14.137 -9.010 -8.692 1.00 0.00 H new ATOM 296 N GLY A 557 15.117 -6.394 -7.614 1.00 0.00 N ATOM 297 CA GLY A 557 16.007 -5.496 -8.320 1.00 0.00 C ATOM 298 C GLY A 557 16.188 -4.203 -7.562 1.00 0.00 C ATOM 299 O GLY A 557 17.274 -3.627 -7.531 1.00 0.00 O ATOM 0 H GLY A 557 14.125 -6.172 -7.700 1.00 0.00 H new ATOM 0 HA2 GLY A 557 16.975 -5.976 -8.463 1.00 0.00 H new ATOM 0 HA3 GLY A 557 15.606 -5.287 -9.312 1.00 0.00 H new ATOM 303 N LEU A 558 15.110 -3.763 -6.934 1.00 0.00 N ATOM 304 CA LEU A 558 15.110 -2.547 -6.133 1.00 0.00 C ATOM 305 C LEU A 558 15.686 -2.778 -4.743 1.00 0.00 C ATOM 306 O LEU A 558 15.670 -1.876 -3.901 1.00 0.00 O ATOM 307 CB LEU A 558 13.697 -1.986 -6.023 1.00 0.00 C ATOM 308 CG LEU A 558 13.283 -1.062 -7.170 1.00 0.00 C ATOM 309 CD1 LEU A 558 11.815 -1.259 -7.517 1.00 0.00 C ATOM 310 CD2 LEU A 558 13.540 0.389 -6.797 1.00 0.00 C ATOM 0 H LEU A 558 14.208 -4.239 -6.964 1.00 0.00 H new ATOM 0 HA LEU A 558 15.750 -1.825 -6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 558 12.994 -2.817 -5.973 1.00 0.00 H new ATOM 0 HB3 LEU A 558 13.611 -1.438 -5.085 1.00 0.00 H new ATOM 0 HG LEU A 558 13.882 -1.314 -8.045 1.00 0.00 H new ATOM 0 HD11 LEU A 558 11.542 -0.592 -8.335 1.00 0.00 H new ATOM 0 HD12 LEU A 558 11.648 -2.293 -7.820 1.00 0.00 H new ATOM 0 HD13 LEU A 558 11.202 -1.033 -6.645 1.00 0.00 H new ATOM 0 HD21 LEU A 558 13.241 1.035 -7.622 1.00 0.00 H new ATOM 0 HD22 LEU A 558 12.962 0.644 -5.909 1.00 0.00 H new ATOM 0 HD23 LEU A 558 14.601 0.530 -6.592 1.00 0.00 H new ATOM 322 N LYS A 559 16.168 -3.983 -4.490 1.00 0.00 N ATOM 323 CA LYS A 559 16.799 -4.276 -3.215 1.00 0.00 C ATOM 324 C LYS A 559 17.981 -3.336 -2.962 1.00 0.00 C ATOM 325 O LYS A 559 18.835 -3.135 -3.826 1.00 0.00 O ATOM 326 CB LYS A 559 17.234 -5.756 -3.100 1.00 0.00 C ATOM 327 CG LYS A 559 17.612 -6.462 -4.409 1.00 0.00 C ATOM 328 CD LYS A 559 18.764 -5.789 -5.149 1.00 0.00 C ATOM 329 CE LYS A 559 20.085 -5.929 -4.404 1.00 0.00 C ATOM 330 NZ LYS A 559 20.493 -7.350 -4.252 1.00 0.00 N ATOM 0 H LYS A 559 16.135 -4.766 -5.143 1.00 0.00 H new ATOM 0 HA LYS A 559 16.050 -4.105 -2.442 1.00 0.00 H new ATOM 0 HB2 LYS A 559 18.088 -5.809 -2.425 1.00 0.00 H new ATOM 0 HB3 LYS A 559 16.423 -6.315 -2.633 1.00 0.00 H new ATOM 0 HG2 LYS A 559 17.884 -7.495 -4.191 1.00 0.00 H new ATOM 0 HG3 LYS A 559 16.739 -6.493 -5.062 1.00 0.00 H new ATOM 0 HD2 LYS A 559 18.861 -6.227 -6.142 1.00 0.00 H new ATOM 0 HD3 LYS A 559 18.537 -4.732 -5.287 1.00 0.00 H new ATOM 0 HE2 LYS A 559 20.862 -5.384 -4.940 1.00 0.00 H new ATOM 0 HE3 LYS A 559 19.996 -5.471 -3.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 559 21.495 -7.396 -3.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 559 19.911 -7.802 -3.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 559 20.360 -7.848 -5.155 1.00 0.00 H new ATOM 344 N GLY A 560 17.991 -2.721 -1.790 1.00 0.00 N ATOM 345 CA GLY A 560 19.069 -1.818 -1.440 1.00 0.00 C ATOM 346 C GLY A 560 18.821 -0.395 -1.915 1.00 0.00 C ATOM 347 O GLY A 560 19.496 0.536 -1.479 1.00 0.00 O ATOM 0 H GLY A 560 17.273 -2.830 -1.074 1.00 0.00 H new ATOM 0 HA2 GLY A 560 19.200 -1.818 -0.358 1.00 0.00 H new ATOM 0 HA3 GLY A 560 19.999 -2.184 -1.874 1.00 0.00 H new ATOM 351 N LYS A 561 17.854 -0.222 -2.806 1.00 0.00 N ATOM 352 CA LYS A 561 17.534 1.102 -3.326 1.00 0.00 C ATOM 353 C LYS A 561 16.708 1.879 -2.311 1.00 0.00 C ATOM 354 O LYS A 561 16.742 3.110 -2.268 1.00 0.00 O ATOM 355 CB LYS A 561 16.792 0.995 -4.653 1.00 0.00 C ATOM 356 CG LYS A 561 17.557 0.195 -5.688 1.00 0.00 C ATOM 357 CD LYS A 561 16.963 0.358 -7.066 1.00 0.00 C ATOM 358 CE LYS A 561 17.593 -0.614 -8.041 1.00 0.00 C ATOM 359 NZ LYS A 561 17.158 -0.374 -9.438 1.00 0.00 N ATOM 0 H LYS A 561 17.280 -0.977 -3.182 1.00 0.00 H new ATOM 0 HA LYS A 561 18.466 1.640 -3.502 1.00 0.00 H new ATOM 0 HB2 LYS A 561 15.821 0.529 -4.485 1.00 0.00 H new ATOM 0 HB3 LYS A 561 16.603 1.996 -5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 561 18.599 0.516 -5.700 1.00 0.00 H new ATOM 0 HG3 LYS A 561 17.551 -0.859 -5.411 1.00 0.00 H new ATOM 0 HD2 LYS A 561 15.886 0.192 -7.025 1.00 0.00 H new ATOM 0 HD3 LYS A 561 17.115 1.380 -7.414 1.00 0.00 H new ATOM 0 HE2 LYS A 561 18.678 -0.532 -7.982 1.00 0.00 H new ATOM 0 HE3 LYS A 561 17.334 -1.633 -7.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 17.616 -1.064 -10.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 16.125 -0.478 -9.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 17.427 0.589 -9.725 1.00 0.00 H new ATOM 373 N ILE A 562 15.969 1.147 -1.497 1.00 0.00 N ATOM 374 CA ILE A 562 15.215 1.730 -0.404 1.00 0.00 C ATOM 375 C ILE A 562 15.749 1.178 0.913 1.00 0.00 C ATOM 376 O ILE A 562 16.310 0.080 0.943 1.00 0.00 O ATOM 377 CB ILE A 562 13.710 1.417 -0.533 1.00 0.00 C ATOM 378 CG1 ILE A 562 12.903 2.307 0.397 1.00 0.00 C ATOM 379 CG2 ILE A 562 13.417 -0.046 -0.236 1.00 0.00 C ATOM 380 CD1 ILE A 562 11.448 1.929 0.442 1.00 0.00 C ATOM 0 H ILE A 562 15.875 0.134 -1.575 1.00 0.00 H new ATOM 0 HA ILE A 562 15.333 2.813 -0.434 1.00 0.00 H new ATOM 0 HB ILE A 562 13.419 1.617 -1.564 1.00 0.00 H new ATOM 0 HG12 ILE A 562 13.321 2.249 1.402 1.00 0.00 H new ATOM 0 HG13 ILE A 562 12.995 3.343 0.073 1.00 0.00 H new ATOM 0 HG21 ILE A 562 12.347 -0.231 -0.336 1.00 0.00 H new ATOM 0 HG22 ILE A 562 13.962 -0.676 -0.939 1.00 0.00 H new ATOM 0 HG23 ILE A 562 13.732 -0.281 0.781 1.00 0.00 H new ATOM 0 HD11 ILE A 562 10.919 2.597 1.122 1.00 0.00 H new ATOM 0 HD12 ILE A 562 11.019 2.013 -0.557 1.00 0.00 H new ATOM 0 HD13 ILE A 562 11.350 0.902 0.794 1.00 0.00 H new ATOM 392 N SER A 563 15.604 1.936 1.988 1.00 0.00 N ATOM 393 CA SER A 563 16.079 1.486 3.283 1.00 0.00 C ATOM 394 C SER A 563 15.060 0.543 3.908 1.00 0.00 C ATOM 395 O SER A 563 13.875 0.596 3.556 1.00 0.00 O ATOM 396 CB SER A 563 16.351 2.677 4.207 1.00 0.00 C ATOM 397 OG SER A 563 16.991 2.263 5.402 1.00 0.00 O ATOM 0 H SER A 563 15.165 2.857 1.989 1.00 0.00 H new ATOM 0 HA SER A 563 17.018 0.949 3.144 1.00 0.00 H new ATOM 0 HB2 SER A 563 16.976 3.406 3.691 1.00 0.00 H new ATOM 0 HB3 SER A 563 15.412 3.175 4.448 1.00 0.00 H new ATOM 0 HG SER A 563 17.154 3.043 5.973 1.00 0.00 H new ATOM 403 N GLU A 564 15.507 -0.315 4.817 1.00 0.00 N ATOM 404 CA GLU A 564 14.644 -1.338 5.397 1.00 0.00 C ATOM 405 C GLU A 564 13.408 -0.713 6.015 1.00 0.00 C ATOM 406 O GLU A 564 12.301 -1.170 5.776 1.00 0.00 O ATOM 407 CB GLU A 564 15.400 -2.128 6.459 1.00 0.00 C ATOM 408 CG GLU A 564 16.734 -2.654 5.976 1.00 0.00 C ATOM 409 CD GLU A 564 16.592 -3.717 4.906 1.00 0.00 C ATOM 410 OE1 GLU A 564 16.299 -4.884 5.253 1.00 0.00 O ATOM 411 OE2 GLU A 564 16.780 -3.396 3.715 1.00 0.00 O ATOM 0 H GLU A 564 16.464 -0.323 5.169 1.00 0.00 H new ATOM 0 HA GLU A 564 14.335 -2.011 4.597 1.00 0.00 H new ATOM 0 HB2 GLU A 564 15.562 -1.492 7.329 1.00 0.00 H new ATOM 0 HB3 GLU A 564 14.784 -2.965 6.786 1.00 0.00 H new ATOM 0 HG2 GLU A 564 17.325 -1.827 5.584 1.00 0.00 H new ATOM 0 HG3 GLU A 564 17.285 -3.067 6.821 1.00 0.00 H new ATOM 418 N ALA A 565 13.609 0.351 6.782 1.00 0.00 N ATOM 419 CA ALA A 565 12.522 0.992 7.515 1.00 0.00 C ATOM 420 C ALA A 565 11.395 1.453 6.594 1.00 0.00 C ATOM 421 O ALA A 565 10.220 1.247 6.899 1.00 0.00 O ATOM 422 CB ALA A 565 13.050 2.171 8.310 1.00 0.00 C ATOM 0 H ALA A 565 14.520 0.791 6.914 1.00 0.00 H new ATOM 0 HA ALA A 565 12.108 0.246 8.193 1.00 0.00 H new ATOM 0 HB1 ALA A 565 12.230 2.641 8.852 1.00 0.00 H new ATOM 0 HB2 ALA A 565 13.802 1.824 9.019 1.00 0.00 H new ATOM 0 HB3 ALA A 565 13.498 2.896 7.631 1.00 0.00 H new ATOM 428 N ASP A 566 11.746 2.056 5.464 1.00 0.00 N ATOM 429 CA ASP A 566 10.737 2.517 4.514 1.00 0.00 C ATOM 430 C ASP A 566 10.046 1.320 3.889 1.00 0.00 C ATOM 431 O ASP A 566 8.821 1.267 3.796 1.00 0.00 O ATOM 432 CB ASP A 566 11.363 3.379 3.415 1.00 0.00 C ATOM 433 CG ASP A 566 12.139 4.559 3.964 1.00 0.00 C ATOM 434 OD1 ASP A 566 13.332 4.388 4.298 1.00 0.00 O ATOM 435 OD2 ASP A 566 11.565 5.666 4.069 1.00 0.00 O ATOM 0 H ASP A 566 12.710 2.236 5.184 1.00 0.00 H new ATOM 0 HA ASP A 566 10.012 3.126 5.054 1.00 0.00 H new ATOM 0 HB2 ASP A 566 12.028 2.762 2.811 1.00 0.00 H new ATOM 0 HB3 ASP A 566 10.577 3.743 2.753 1.00 0.00 H new ATOM 440 N LYS A 567 10.856 0.362 3.468 1.00 0.00 N ATOM 441 CA LYS A 567 10.378 -0.900 2.936 1.00 0.00 C ATOM 442 C LYS A 567 9.429 -1.609 3.914 1.00 0.00 C ATOM 443 O LYS A 567 8.345 -2.039 3.535 1.00 0.00 O ATOM 444 CB LYS A 567 11.596 -1.773 2.638 1.00 0.00 C ATOM 445 CG LYS A 567 11.277 -3.209 2.370 1.00 0.00 C ATOM 446 CD LYS A 567 12.525 -3.982 2.001 1.00 0.00 C ATOM 447 CE LYS A 567 12.196 -5.441 1.850 1.00 0.00 C ATOM 448 NZ LYS A 567 13.263 -6.206 1.155 1.00 0.00 N ATOM 0 H LYS A 567 11.873 0.441 3.487 1.00 0.00 H new ATOM 0 HA LYS A 567 9.806 -0.717 2.027 1.00 0.00 H new ATOM 0 HB2 LYS A 567 12.119 -1.363 1.774 1.00 0.00 H new ATOM 0 HB3 LYS A 567 12.283 -1.718 3.483 1.00 0.00 H new ATOM 0 HG2 LYS A 567 10.817 -3.654 3.252 1.00 0.00 H new ATOM 0 HG3 LYS A 567 10.549 -3.279 1.562 1.00 0.00 H new ATOM 0 HD2 LYS A 567 12.941 -3.596 1.070 1.00 0.00 H new ATOM 0 HD3 LYS A 567 13.286 -3.849 2.770 1.00 0.00 H new ATOM 0 HE2 LYS A 567 12.029 -5.874 2.836 1.00 0.00 H new ATOM 0 HE3 LYS A 567 11.263 -5.542 1.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 12.879 -7.114 0.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 13.609 -5.659 0.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 14.049 -6.382 1.813 1.00 0.00 H new ATOM 462 N LYS A 568 9.840 -1.706 5.169 1.00 0.00 N ATOM 463 CA LYS A 568 9.045 -2.361 6.204 1.00 0.00 C ATOM 464 C LYS A 568 7.729 -1.638 6.441 1.00 0.00 C ATOM 465 O LYS A 568 6.675 -2.269 6.509 1.00 0.00 O ATOM 466 CB LYS A 568 9.813 -2.434 7.526 1.00 0.00 C ATOM 467 CG LYS A 568 11.063 -3.287 7.480 1.00 0.00 C ATOM 468 CD LYS A 568 11.759 -3.288 8.829 1.00 0.00 C ATOM 469 CE LYS A 568 13.166 -3.841 8.731 1.00 0.00 C ATOM 470 NZ LYS A 568 13.199 -5.212 8.154 1.00 0.00 N ATOM 0 H LYS A 568 10.730 -1.335 5.501 1.00 0.00 H new ATOM 0 HA LYS A 568 8.837 -3.370 5.846 1.00 0.00 H new ATOM 0 HB2 LYS A 568 10.089 -1.424 7.827 1.00 0.00 H new ATOM 0 HB3 LYS A 568 9.149 -2.826 8.296 1.00 0.00 H new ATOM 0 HG2 LYS A 568 10.803 -4.307 7.198 1.00 0.00 H new ATOM 0 HG3 LYS A 568 11.741 -2.908 6.715 1.00 0.00 H new ATOM 0 HD2 LYS A 568 11.794 -2.272 9.222 1.00 0.00 H new ATOM 0 HD3 LYS A 568 11.182 -3.884 9.536 1.00 0.00 H new ATOM 0 HE2 LYS A 568 13.772 -3.176 8.116 1.00 0.00 H new ATOM 0 HE3 LYS A 568 13.617 -3.857 9.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 14.153 -5.612 8.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 12.512 -5.815 8.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 12.955 -5.170 7.144 1.00 0.00 H new ATOM 484 N LYS A 569 7.787 -0.314 6.567 1.00 0.00 N ATOM 485 CA LYS A 569 6.606 0.455 6.916 1.00 0.00 C ATOM 486 C LYS A 569 5.558 0.340 5.820 1.00 0.00 C ATOM 487 O LYS A 569 4.373 0.161 6.102 1.00 0.00 O ATOM 488 CB LYS A 569 6.961 1.929 7.183 1.00 0.00 C ATOM 489 CG LYS A 569 7.130 2.779 5.935 1.00 0.00 C ATOM 490 CD LYS A 569 7.493 4.220 6.268 1.00 0.00 C ATOM 491 CE LYS A 569 6.281 5.047 6.689 1.00 0.00 C ATOM 492 NZ LYS A 569 5.767 4.670 8.035 1.00 0.00 N ATOM 0 H LYS A 569 8.633 0.240 6.433 1.00 0.00 H new ATOM 0 HA LYS A 569 6.191 0.044 7.836 1.00 0.00 H new ATOM 0 HB2 LYS A 569 6.180 2.370 7.803 1.00 0.00 H new ATOM 0 HB3 LYS A 569 7.885 1.967 7.760 1.00 0.00 H new ATOM 0 HG2 LYS A 569 7.907 2.346 5.305 1.00 0.00 H new ATOM 0 HG3 LYS A 569 6.205 2.763 5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 569 8.231 4.229 7.070 1.00 0.00 H new ATOM 0 HD3 LYS A 569 7.961 4.683 5.399 1.00 0.00 H new ATOM 0 HE2 LYS A 569 6.550 6.103 6.690 1.00 0.00 H new ATOM 0 HE3 LYS A 569 5.487 4.921 5.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 569 5.476 5.527 8.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 569 4.950 4.035 7.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 569 6.516 4.185 8.569 1.00 0.00 H new ATOM 506 N VAL A 570 6.000 0.421 4.571 1.00 0.00 N ATOM 507 CA VAL A 570 5.091 0.328 3.452 1.00 0.00 C ATOM 508 C VAL A 570 4.555 -1.099 3.306 1.00 0.00 C ATOM 509 O VAL A 570 3.367 -1.284 3.092 1.00 0.00 O ATOM 510 CB VAL A 570 5.731 0.827 2.139 1.00 0.00 C ATOM 511 CG1 VAL A 570 6.872 -0.065 1.711 1.00 0.00 C ATOM 512 CG2 VAL A 570 4.687 0.934 1.041 1.00 0.00 C ATOM 0 H VAL A 570 6.979 0.550 4.315 1.00 0.00 H new ATOM 0 HA VAL A 570 4.249 0.988 3.660 1.00 0.00 H new ATOM 0 HB VAL A 570 6.139 1.821 2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 570 7.301 0.313 0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 570 7.637 -0.075 2.487 1.00 0.00 H new ATOM 0 HG13 VAL A 570 6.502 -1.078 1.553 1.00 0.00 H new ATOM 0 HG21 VAL A 570 5.158 1.287 0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 570 4.241 -0.045 0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 570 3.911 1.637 1.344 1.00 0.00 H new ATOM 522 N LEU A 571 5.421 -2.105 3.461 1.00 0.00 N ATOM 523 CA LEU A 571 4.986 -3.503 3.381 1.00 0.00 C ATOM 524 C LEU A 571 3.933 -3.801 4.442 1.00 0.00 C ATOM 525 O LEU A 571 2.912 -4.429 4.154 1.00 0.00 O ATOM 526 CB LEU A 571 6.162 -4.469 3.572 1.00 0.00 C ATOM 527 CG LEU A 571 7.141 -4.604 2.408 1.00 0.00 C ATOM 528 CD1 LEU A 571 8.465 -5.151 2.914 1.00 0.00 C ATOM 529 CD2 LEU A 571 6.584 -5.526 1.333 1.00 0.00 C ATOM 0 H LEU A 571 6.417 -1.980 3.641 1.00 0.00 H new ATOM 0 HA LEU A 571 4.563 -3.649 2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 571 6.722 -4.152 4.451 1.00 0.00 H new ATOM 0 HB3 LEU A 571 5.757 -5.457 3.791 1.00 0.00 H new ATOM 0 HG LEU A 571 7.294 -3.617 1.971 1.00 0.00 H new ATOM 0 HD11 LEU A 571 9.162 -5.246 2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 571 8.880 -4.470 3.658 1.00 0.00 H new ATOM 0 HD13 LEU A 571 8.305 -6.129 3.367 1.00 0.00 H new ATOM 0 HD21 LEU A 571 7.300 -5.605 0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 571 6.407 -6.514 1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 571 5.646 -5.120 0.956 1.00 0.00 H new ATOM 541 N ASP A 572 4.197 -3.352 5.668 1.00 0.00 N ATOM 542 CA ASP A 572 3.274 -3.557 6.784 1.00 0.00 C ATOM 543 C ASP A 572 1.949 -2.868 6.510 1.00 0.00 C ATOM 544 O ASP A 572 0.879 -3.459 6.675 1.00 0.00 O ATOM 545 CB ASP A 572 3.870 -3.004 8.080 1.00 0.00 C ATOM 546 CG ASP A 572 2.989 -3.284 9.285 1.00 0.00 C ATOM 547 OD1 ASP A 572 3.093 -4.391 9.858 1.00 0.00 O ATOM 548 OD2 ASP A 572 2.193 -2.399 9.666 1.00 0.00 O ATOM 0 H ASP A 572 5.045 -2.842 5.914 1.00 0.00 H new ATOM 0 HA ASP A 572 3.108 -4.629 6.892 1.00 0.00 H new ATOM 0 HB2 ASP A 572 4.854 -3.444 8.242 1.00 0.00 H new ATOM 0 HB3 ASP A 572 4.015 -1.928 7.981 1.00 0.00 H new ATOM 553 N LYS A 573 2.033 -1.621 6.077 1.00 0.00 N ATOM 554 CA LYS A 573 0.858 -0.835 5.752 1.00 0.00 C ATOM 555 C LYS A 573 0.112 -1.432 4.558 1.00 0.00 C ATOM 556 O LYS A 573 -1.118 -1.479 4.553 1.00 0.00 O ATOM 557 CB LYS A 573 1.273 0.611 5.480 1.00 0.00 C ATOM 558 CG LYS A 573 0.225 1.458 4.776 1.00 0.00 C ATOM 559 CD LYS A 573 -1.077 1.551 5.539 1.00 0.00 C ATOM 560 CE LYS A 573 -2.020 2.520 4.856 1.00 0.00 C ATOM 561 NZ LYS A 573 -3.338 2.590 5.543 1.00 0.00 N ATOM 0 H LYS A 573 2.915 -1.128 5.942 1.00 0.00 H new ATOM 0 HA LYS A 573 0.173 -0.851 6.600 1.00 0.00 H new ATOM 0 HB2 LYS A 573 1.525 1.086 6.428 1.00 0.00 H new ATOM 0 HB3 LYS A 573 2.180 0.605 4.876 1.00 0.00 H new ATOM 0 HG2 LYS A 573 0.621 2.462 4.623 1.00 0.00 H new ATOM 0 HG3 LYS A 573 0.031 1.038 3.789 1.00 0.00 H new ATOM 0 HD2 LYS A 573 -1.540 0.566 5.602 1.00 0.00 H new ATOM 0 HD3 LYS A 573 -0.885 1.879 6.560 1.00 0.00 H new ATOM 0 HE2 LYS A 573 -1.569 3.512 4.835 1.00 0.00 H new ATOM 0 HE3 LYS A 573 -2.167 2.215 3.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 573 -4.082 2.796 4.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 573 -3.538 1.680 6.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 573 -3.316 3.344 6.259 1.00 0.00 H new ATOM 575 N CYS A 574 0.857 -1.903 3.563 1.00 0.00 N ATOM 576 CA CYS A 574 0.258 -2.551 2.404 1.00 0.00 C ATOM 577 C CYS A 574 -0.482 -3.807 2.832 1.00 0.00 C ATOM 578 O CYS A 574 -1.579 -4.084 2.361 1.00 0.00 O ATOM 579 CB CYS A 574 1.321 -2.894 1.360 1.00 0.00 C ATOM 580 SG CYS A 574 1.985 -1.464 0.480 1.00 0.00 S ATOM 0 H CYS A 574 1.875 -1.848 3.537 1.00 0.00 H new ATOM 0 HA CYS A 574 -0.451 -1.857 1.952 1.00 0.00 H new ATOM 0 HB2 CYS A 574 2.141 -3.417 1.852 1.00 0.00 H new ATOM 0 HB3 CYS A 574 0.892 -3.585 0.635 1.00 0.00 H new ATOM 0 HG CYS A 574 1.839 -1.636 -0.800 1.00 0.00 H new ATOM 586 N GLN A 575 0.121 -4.555 3.741 1.00 0.00 N ATOM 587 CA GLN A 575 -0.519 -5.721 4.321 1.00 0.00 C ATOM 588 C GLN A 575 -1.790 -5.319 5.054 1.00 0.00 C ATOM 589 O GLN A 575 -2.816 -5.986 4.952 1.00 0.00 O ATOM 590 CB GLN A 575 0.438 -6.398 5.296 1.00 0.00 C ATOM 591 CG GLN A 575 1.216 -7.561 4.703 1.00 0.00 C ATOM 592 CD GLN A 575 0.447 -8.874 4.707 1.00 0.00 C ATOM 593 OE1 GLN A 575 1.046 -9.944 4.781 1.00 0.00 O ATOM 594 NE2 GLN A 575 -0.876 -8.809 4.641 1.00 0.00 N ATOM 0 H GLN A 575 1.060 -4.372 4.095 1.00 0.00 H new ATOM 0 HA GLN A 575 -0.778 -6.413 3.520 1.00 0.00 H new ATOM 0 HB2 GLN A 575 1.144 -5.656 5.668 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -0.130 -6.756 6.155 1.00 0.00 H new ATOM 0 HG2 GLN A 575 1.494 -7.316 3.678 1.00 0.00 H new ATOM 0 HG3 GLN A 575 2.142 -7.690 5.263 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -1.340 -7.903 4.580 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -1.430 -9.666 4.651 1.00 0.00 H new ATOM 603 N GLU A 576 -1.700 -4.215 5.780 1.00 0.00 N ATOM 604 CA GLU A 576 -2.806 -3.697 6.571 1.00 0.00 C ATOM 605 C GLU A 576 -4.011 -3.384 5.690 1.00 0.00 C ATOM 606 O GLU A 576 -5.122 -3.847 5.955 1.00 0.00 O ATOM 607 CB GLU A 576 -2.351 -2.439 7.308 1.00 0.00 C ATOM 608 CG GLU A 576 -3.384 -1.855 8.249 1.00 0.00 C ATOM 609 CD GLU A 576 -2.883 -0.593 8.915 1.00 0.00 C ATOM 610 OE1 GLU A 576 -2.192 -0.697 9.951 1.00 0.00 O ATOM 611 OE2 GLU A 576 -3.163 0.509 8.395 1.00 0.00 O ATOM 0 H GLU A 576 -0.853 -3.650 5.837 1.00 0.00 H new ATOM 0 HA GLU A 576 -3.108 -4.457 7.292 1.00 0.00 H new ATOM 0 HB2 GLU A 576 -1.450 -2.672 7.876 1.00 0.00 H new ATOM 0 HB3 GLU A 576 -2.078 -1.682 6.573 1.00 0.00 H new ATOM 0 HG2 GLU A 576 -4.298 -1.637 7.696 1.00 0.00 H new ATOM 0 HG3 GLU A 576 -3.640 -2.591 9.011 1.00 0.00 H new ATOM 618 N VAL A 577 -3.788 -2.603 4.642 1.00 0.00 N ATOM 619 CA VAL A 577 -4.857 -2.273 3.706 1.00 0.00 C ATOM 620 C VAL A 577 -5.317 -3.503 2.933 1.00 0.00 C ATOM 621 O VAL A 577 -6.506 -3.685 2.720 1.00 0.00 O ATOM 622 CB VAL A 577 -4.466 -1.142 2.726 1.00 0.00 C ATOM 623 CG1 VAL A 577 -3.060 -1.328 2.210 1.00 0.00 C ATOM 624 CG2 VAL A 577 -5.433 -1.083 1.555 1.00 0.00 C ATOM 0 H VAL A 577 -2.884 -2.188 4.418 1.00 0.00 H new ATOM 0 HA VAL A 577 -5.686 -1.907 4.311 1.00 0.00 H new ATOM 0 HB VAL A 577 -4.515 -0.203 3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 577 -2.814 -0.518 1.524 1.00 0.00 H new ATOM 0 HG12 VAL A 577 -2.361 -1.320 3.047 1.00 0.00 H new ATOM 0 HG13 VAL A 577 -2.988 -2.281 1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 577 -5.138 -0.280 0.879 1.00 0.00 H new ATOM 0 HG22 VAL A 577 -5.415 -2.033 1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 577 -6.441 -0.894 1.925 1.00 0.00 H new ATOM 634 N ILE A 578 -4.382 -4.355 2.537 1.00 0.00 N ATOM 635 CA ILE A 578 -4.720 -5.568 1.803 1.00 0.00 C ATOM 636 C ILE A 578 -5.637 -6.476 2.635 1.00 0.00 C ATOM 637 O ILE A 578 -6.621 -7.023 2.124 1.00 0.00 O ATOM 638 CB ILE A 578 -3.438 -6.302 1.346 1.00 0.00 C ATOM 639 CG1 ILE A 578 -2.920 -5.674 0.044 1.00 0.00 C ATOM 640 CG2 ILE A 578 -3.686 -7.789 1.167 1.00 0.00 C ATOM 641 CD1 ILE A 578 -1.512 -6.077 -0.313 1.00 0.00 C ATOM 0 H ILE A 578 -3.385 -4.230 2.711 1.00 0.00 H new ATOM 0 HA ILE A 578 -5.274 -5.289 0.907 1.00 0.00 H new ATOM 0 HB ILE A 578 -2.680 -6.191 2.121 1.00 0.00 H new ATOM 0 HG12 ILE A 578 -3.585 -5.954 -0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 578 -2.965 -4.589 0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 578 -2.765 -8.275 0.845 1.00 0.00 H new ATOM 0 HG22 ILE A 578 -4.013 -8.220 2.113 1.00 0.00 H new ATOM 0 HG23 ILE A 578 -4.459 -7.941 0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 578 -1.220 -5.592 -1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 578 -0.833 -5.772 0.483 1.00 0.00 H new ATOM 0 HD13 ILE A 578 -1.463 -7.159 -0.436 1.00 0.00 H new ATOM 653 N SER A 579 -5.347 -6.597 3.924 1.00 0.00 N ATOM 654 CA SER A 579 -6.216 -7.338 4.829 1.00 0.00 C ATOM 655 C SER A 579 -7.544 -6.602 5.019 1.00 0.00 C ATOM 656 O SER A 579 -8.590 -7.224 5.186 1.00 0.00 O ATOM 657 CB SER A 579 -5.523 -7.547 6.177 1.00 0.00 C ATOM 658 OG SER A 579 -4.274 -8.206 6.011 1.00 0.00 O ATOM 0 H SER A 579 -4.520 -6.194 4.365 1.00 0.00 H new ATOM 0 HA SER A 579 -6.424 -8.314 4.390 1.00 0.00 H new ATOM 0 HB2 SER A 579 -5.368 -6.584 6.664 1.00 0.00 H new ATOM 0 HB3 SER A 579 -6.165 -8.136 6.832 1.00 0.00 H new ATOM 0 HG SER A 579 -3.619 -7.578 5.640 1.00 0.00 H new ATOM 664 N TRP A 580 -7.488 -5.273 4.959 1.00 0.00 N ATOM 665 CA TRP A 580 -8.674 -4.434 5.095 1.00 0.00 C ATOM 666 C TRP A 580 -9.562 -4.601 3.874 1.00 0.00 C ATOM 667 O TRP A 580 -10.783 -4.611 3.973 1.00 0.00 O ATOM 668 CB TRP A 580 -8.261 -2.964 5.249 1.00 0.00 C ATOM 669 CG TRP A 580 -9.409 -2.002 5.284 1.00 0.00 C ATOM 670 CD1 TRP A 580 -10.103 -1.596 6.387 1.00 0.00 C ATOM 671 CD2 TRP A 580 -9.991 -1.313 4.168 1.00 0.00 C ATOM 672 NE1 TRP A 580 -11.085 -0.709 6.025 1.00 0.00 N ATOM 673 CE2 TRP A 580 -11.038 -0.519 4.669 1.00 0.00 C ATOM 674 CE3 TRP A 580 -9.735 -1.298 2.794 1.00 0.00 C ATOM 675 CZ2 TRP A 580 -11.826 0.282 3.850 1.00 0.00 C ATOM 676 CZ3 TRP A 580 -10.514 -0.498 1.982 1.00 0.00 C ATOM 677 CH2 TRP A 580 -11.550 0.281 2.513 1.00 0.00 C ATOM 0 H TRP A 580 -6.624 -4.751 4.815 1.00 0.00 H new ATOM 0 HA TRP A 580 -9.228 -4.738 5.983 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -7.683 -2.855 6.167 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -7.602 -2.695 4.423 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -9.908 -1.925 7.397 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -11.744 -0.263 6.663 1.00 0.00 H new ATOM 0 HE3 TRP A 580 -8.943 -1.901 2.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -12.626 0.882 4.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 -10.321 -0.472 0.920 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -12.143 0.894 1.851 1.00 0.00 H new ATOM 688 N LEU A 581 -8.924 -4.729 2.726 1.00 0.00 N ATOM 689 CA LEU A 581 -9.614 -4.951 1.464 1.00 0.00 C ATOM 690 C LEU A 581 -10.426 -6.229 1.522 1.00 0.00 C ATOM 691 O LEU A 581 -11.573 -6.279 1.079 1.00 0.00 O ATOM 692 CB LEU A 581 -8.597 -5.052 0.340 1.00 0.00 C ATOM 693 CG LEU A 581 -7.818 -3.777 0.069 1.00 0.00 C ATOM 694 CD1 LEU A 581 -6.554 -4.103 -0.692 1.00 0.00 C ATOM 695 CD2 LEU A 581 -8.671 -2.807 -0.705 1.00 0.00 C ATOM 0 H LEU A 581 -7.909 -4.682 2.639 1.00 0.00 H new ATOM 0 HA LEU A 581 -10.286 -4.113 1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 581 -7.892 -5.848 0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 581 -9.114 -5.346 -0.573 1.00 0.00 H new ATOM 0 HG LEU A 581 -7.544 -3.313 1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 581 -5.998 -3.185 -0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 581 -5.939 -4.783 -0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 581 -6.812 -4.576 -1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 581 -8.104 -1.895 -0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 581 -8.964 -3.257 -1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 581 -9.563 -2.566 -0.127 1.00 0.00 H new ATOM 707 N ASP A 582 -9.813 -7.264 2.072 1.00 0.00 N ATOM 708 CA ASP A 582 -10.479 -8.549 2.227 1.00 0.00 C ATOM 709 C ASP A 582 -11.609 -8.440 3.242 1.00 0.00 C ATOM 710 O ASP A 582 -12.651 -9.079 3.105 1.00 0.00 O ATOM 711 CB ASP A 582 -9.477 -9.614 2.671 1.00 0.00 C ATOM 712 CG ASP A 582 -10.105 -10.985 2.799 1.00 0.00 C ATOM 713 OD1 ASP A 582 -10.420 -11.598 1.755 1.00 0.00 O ATOM 714 OD2 ASP A 582 -10.276 -11.460 3.942 1.00 0.00 O ATOM 0 H ASP A 582 -8.854 -7.241 2.419 1.00 0.00 H new ATOM 0 HA ASP A 582 -10.899 -8.840 1.264 1.00 0.00 H new ATOM 0 HB2 ASP A 582 -8.658 -9.659 1.953 1.00 0.00 H new ATOM 0 HB3 ASP A 582 -9.046 -9.325 3.629 1.00 0.00 H new ATOM 719 N ALA A 583 -11.397 -7.599 4.241 1.00 0.00 N ATOM 720 CA ALA A 583 -12.335 -7.457 5.340 1.00 0.00 C ATOM 721 C ALA A 583 -13.495 -6.524 4.997 1.00 0.00 C ATOM 722 O ALA A 583 -14.614 -6.708 5.468 1.00 0.00 O ATOM 723 CB ALA A 583 -11.593 -6.941 6.556 1.00 0.00 C ATOM 0 H ALA A 583 -10.575 -6.999 4.312 1.00 0.00 H new ATOM 0 HA ALA A 583 -12.767 -8.436 5.545 1.00 0.00 H new ATOM 0 HB1 ALA A 583 -12.289 -6.831 7.387 1.00 0.00 H new ATOM 0 HB2 ALA A 583 -10.809 -7.647 6.830 1.00 0.00 H new ATOM 0 HB3 ALA A 583 -11.146 -5.974 6.326 1.00 0.00 H new ATOM 729 N ASN A 584 -13.223 -5.521 4.173 1.00 0.00 N ATOM 730 CA ASN A 584 -14.240 -4.557 3.767 1.00 0.00 C ATOM 731 C ASN A 584 -14.505 -4.670 2.274 1.00 0.00 C ATOM 732 O ASN A 584 -14.515 -3.673 1.553 1.00 0.00 O ATOM 733 CB ASN A 584 -13.829 -3.113 4.101 1.00 0.00 C ATOM 734 CG ASN A 584 -13.910 -2.769 5.585 1.00 0.00 C ATOM 735 OD1 ASN A 584 -14.282 -1.651 5.951 1.00 0.00 O ATOM 736 ND2 ASN A 584 -13.534 -3.701 6.445 1.00 0.00 N ATOM 0 H ASN A 584 -12.301 -5.352 3.770 1.00 0.00 H new ATOM 0 HA ASN A 584 -15.147 -4.791 4.325 1.00 0.00 H new ATOM 0 HB2 ASN A 584 -12.808 -2.948 3.756 1.00 0.00 H new ATOM 0 HB3 ASN A 584 -14.468 -2.427 3.545 1.00 0.00 H new ATOM 0 HD21 ASN A 584 -13.546 -3.506 7.446 1.00 0.00 H new ATOM 0 HD22 ASN A 584 -13.232 -4.615 6.107 1.00 0.00 H new ATOM 743 N THR A 585 -14.725 -5.891 1.817 1.00 0.00 N ATOM 744 CA THR A 585 -15.005 -6.150 0.411 1.00 0.00 C ATOM 745 C THR A 585 -16.296 -5.460 -0.028 1.00 0.00 C ATOM 746 O THR A 585 -16.512 -5.198 -1.213 1.00 0.00 O ATOM 747 CB THR A 585 -15.143 -7.662 0.168 1.00 0.00 C ATOM 748 OG1 THR A 585 -14.800 -8.380 1.365 1.00 0.00 O ATOM 749 CG2 THR A 585 -14.248 -8.109 -0.973 1.00 0.00 C ATOM 0 H THR A 585 -14.715 -6.726 2.403 1.00 0.00 H new ATOM 0 HA THR A 585 -14.173 -5.753 -0.171 1.00 0.00 H new ATOM 0 HB THR A 585 -16.177 -7.875 -0.101 1.00 0.00 H new ATOM 0 HG1 THR A 585 -13.836 -8.306 1.526 1.00 0.00 H new ATOM 0 HG21 THR A 585 -14.363 -9.182 -1.126 1.00 0.00 H new ATOM 0 HG22 THR A 585 -14.528 -7.580 -1.884 1.00 0.00 H new ATOM 0 HG23 THR A 585 -13.209 -7.886 -0.729 1.00 0.00 H new ATOM 757 N LEU A 586 -17.138 -5.153 0.947 1.00 0.00 N ATOM 758 CA LEU A 586 -18.455 -4.602 0.685 1.00 0.00 C ATOM 759 C LEU A 586 -18.445 -3.083 0.799 1.00 0.00 C ATOM 760 O LEU A 586 -19.494 -2.444 0.731 1.00 0.00 O ATOM 761 CB LEU A 586 -19.488 -5.186 1.657 1.00 0.00 C ATOM 762 CG LEU A 586 -19.547 -6.720 1.748 1.00 0.00 C ATOM 763 CD1 LEU A 586 -19.407 -7.365 0.381 1.00 0.00 C ATOM 764 CD2 LEU A 586 -18.492 -7.260 2.694 1.00 0.00 C ATOM 0 H LEU A 586 -16.927 -5.279 1.937 1.00 0.00 H new ATOM 0 HA LEU A 586 -18.731 -4.873 -0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 586 -19.282 -4.792 2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 586 -20.474 -4.822 1.368 1.00 0.00 H new ATOM 0 HG LEU A 586 -20.528 -6.977 2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 586 -19.453 -8.449 0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 586 -20.217 -7.027 -0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 586 -18.450 -7.083 -0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 586 -18.562 -8.347 2.735 1.00 0.00 H new ATOM 0 HD22 LEU A 586 -17.503 -6.973 2.338 1.00 0.00 H new ATOM 0 HD23 LEU A 586 -18.652 -6.849 3.691 1.00 0.00 H new ATOM 776 N ALA A 587 -17.262 -2.513 0.987 1.00 0.00 N ATOM 777 CA ALA A 587 -17.119 -1.066 1.108 1.00 0.00 C ATOM 778 C ALA A 587 -17.438 -0.370 -0.205 1.00 0.00 C ATOM 779 O ALA A 587 -17.365 -0.972 -1.280 1.00 0.00 O ATOM 780 CB ALA A 587 -15.704 -0.706 1.540 1.00 0.00 C ATOM 0 H ALA A 587 -16.386 -3.030 1.059 1.00 0.00 H new ATOM 0 HA ALA A 587 -17.827 -0.727 1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 587 -15.614 0.377 1.626 1.00 0.00 H new ATOM 0 HB2 ALA A 587 -15.490 -1.165 2.505 1.00 0.00 H new ATOM 0 HB3 ALA A 587 -14.993 -1.072 0.799 1.00 0.00 H new ATOM 786 N GLU A 588 -17.800 0.900 -0.111 1.00 0.00 N ATOM 787 CA GLU A 588 -17.994 1.726 -1.292 1.00 0.00 C ATOM 788 C GLU A 588 -16.666 2.307 -1.734 1.00 0.00 C ATOM 789 O GLU A 588 -15.683 2.229 -1.000 1.00 0.00 O ATOM 790 CB GLU A 588 -18.988 2.860 -1.047 1.00 0.00 C ATOM 791 CG GLU A 588 -20.448 2.452 -1.158 1.00 0.00 C ATOM 792 CD GLU A 588 -20.866 1.403 -0.151 1.00 0.00 C ATOM 793 OE1 GLU A 588 -21.113 1.761 1.020 1.00 0.00 O ATOM 794 OE2 GLU A 588 -20.973 0.222 -0.529 1.00 0.00 O ATOM 0 H GLU A 588 -17.966 1.382 0.773 1.00 0.00 H new ATOM 0 HA GLU A 588 -18.406 1.087 -2.073 1.00 0.00 H new ATOM 0 HB2 GLU A 588 -18.813 3.271 -0.053 1.00 0.00 H new ATOM 0 HB3 GLU A 588 -18.792 3.659 -1.762 1.00 0.00 H new ATOM 0 HG2 GLU A 588 -21.073 3.335 -1.030 1.00 0.00 H new ATOM 0 HG3 GLU A 588 -20.634 2.073 -2.163 1.00 0.00 H new ATOM 801 N LYS A 589 -16.645 2.915 -2.906 1.00 0.00 N ATOM 802 CA LYS A 589 -15.394 3.364 -3.508 1.00 0.00 C ATOM 803 C LYS A 589 -14.627 4.321 -2.600 1.00 0.00 C ATOM 804 O LYS A 589 -13.422 4.175 -2.414 1.00 0.00 O ATOM 805 CB LYS A 589 -15.653 4.043 -4.851 1.00 0.00 C ATOM 806 CG LYS A 589 -16.563 5.252 -4.780 1.00 0.00 C ATOM 807 CD LYS A 589 -16.576 6.014 -6.083 1.00 0.00 C ATOM 808 CE LYS A 589 -17.256 7.348 -5.899 1.00 0.00 C ATOM 809 NZ LYS A 589 -16.486 8.230 -4.982 1.00 0.00 N ATOM 0 H LYS A 589 -17.477 3.111 -3.463 1.00 0.00 H new ATOM 0 HA LYS A 589 -14.783 2.474 -3.657 1.00 0.00 H new ATOM 0 HB2 LYS A 589 -14.698 4.348 -5.280 1.00 0.00 H new ATOM 0 HB3 LYS A 589 -16.091 3.314 -5.533 1.00 0.00 H new ATOM 0 HG2 LYS A 589 -17.576 4.932 -4.535 1.00 0.00 H new ATOM 0 HG3 LYS A 589 -16.233 5.910 -3.976 1.00 0.00 H new ATOM 0 HD2 LYS A 589 -15.555 6.163 -6.436 1.00 0.00 H new ATOM 0 HD3 LYS A 589 -17.096 5.435 -6.846 1.00 0.00 H new ATOM 0 HE2 LYS A 589 -17.368 7.837 -6.867 1.00 0.00 H new ATOM 0 HE3 LYS A 589 -18.259 7.195 -5.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 -16.373 9.168 -5.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 -16.997 8.325 -4.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 -15.549 7.815 -4.806 1.00 0.00 H new ATOM 823 N ASP A 590 -15.338 5.276 -2.023 1.00 0.00 N ATOM 824 CA ASP A 590 -14.733 6.301 -1.170 1.00 0.00 C ATOM 825 C ASP A 590 -13.987 5.702 0.015 1.00 0.00 C ATOM 826 O ASP A 590 -12.999 6.278 0.480 1.00 0.00 O ATOM 827 CB ASP A 590 -15.785 7.274 -0.650 1.00 0.00 C ATOM 828 CG ASP A 590 -16.456 8.058 -1.753 1.00 0.00 C ATOM 829 OD1 ASP A 590 -17.237 7.463 -2.524 1.00 0.00 O ATOM 830 OD2 ASP A 590 -16.209 9.274 -1.859 1.00 0.00 O ATOM 0 H ASP A 590 -16.348 5.368 -2.129 1.00 0.00 H new ATOM 0 HA ASP A 590 -14.017 6.832 -1.797 1.00 0.00 H new ATOM 0 HB2 ASP A 590 -16.541 6.721 -0.093 1.00 0.00 H new ATOM 0 HB3 ASP A 590 -15.318 7.967 0.049 1.00 0.00 H new ATOM 835 N GLU A 591 -14.457 4.560 0.512 1.00 0.00 N ATOM 836 CA GLU A 591 -13.783 3.885 1.611 1.00 0.00 C ATOM 837 C GLU A 591 -12.386 3.488 1.167 1.00 0.00 C ATOM 838 O GLU A 591 -11.394 3.758 1.847 1.00 0.00 O ATOM 839 CB GLU A 591 -14.566 2.647 2.052 1.00 0.00 C ATOM 840 CG GLU A 591 -15.992 2.942 2.476 1.00 0.00 C ATOM 841 CD GLU A 591 -16.073 4.007 3.546 1.00 0.00 C ATOM 842 OE1 GLU A 591 -15.731 3.715 4.709 1.00 0.00 O ATOM 843 OE2 GLU A 591 -16.488 5.140 3.227 1.00 0.00 O ATOM 0 H GLU A 591 -15.295 4.088 0.172 1.00 0.00 H new ATOM 0 HA GLU A 591 -13.721 4.564 2.461 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -14.582 1.928 1.233 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -14.041 2.173 2.882 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -16.567 3.261 1.607 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -16.454 2.026 2.845 1.00 0.00 H new ATOM 850 N PHE A 592 -12.320 2.881 -0.008 1.00 0.00 N ATOM 851 CA PHE A 592 -11.053 2.509 -0.603 1.00 0.00 C ATOM 852 C PHE A 592 -10.270 3.757 -0.974 1.00 0.00 C ATOM 853 O PHE A 592 -9.073 3.829 -0.757 1.00 0.00 O ATOM 854 CB PHE A 592 -11.270 1.645 -1.848 1.00 0.00 C ATOM 855 CG PHE A 592 -12.083 0.408 -1.603 1.00 0.00 C ATOM 856 CD1 PHE A 592 -11.474 -0.757 -1.185 1.00 0.00 C ATOM 857 CD2 PHE A 592 -13.453 0.413 -1.789 1.00 0.00 C ATOM 858 CE1 PHE A 592 -12.218 -1.903 -0.953 1.00 0.00 C ATOM 859 CE2 PHE A 592 -14.201 -0.724 -1.564 1.00 0.00 C ATOM 860 CZ PHE A 592 -13.584 -1.883 -1.142 1.00 0.00 C ATOM 0 H PHE A 592 -13.136 2.636 -0.568 1.00 0.00 H new ATOM 0 HA PHE A 592 -10.488 1.929 0.127 1.00 0.00 H new ATOM 0 HB2 PHE A 592 -11.764 2.246 -2.612 1.00 0.00 H new ATOM 0 HB3 PHE A 592 -10.299 1.355 -2.249 1.00 0.00 H new ATOM 0 HD1 PHE A 592 -10.404 -0.776 -1.037 1.00 0.00 H new ATOM 0 HD2 PHE A 592 -13.944 1.318 -2.115 1.00 0.00 H new ATOM 0 HE1 PHE A 592 -11.730 -2.809 -0.625 1.00 0.00 H new ATOM 0 HE2 PHE A 592 -15.270 -0.707 -1.718 1.00 0.00 H new ATOM 0 HZ PHE A 592 -14.169 -2.772 -0.960 1.00 0.00 H new ATOM 870 N GLU A 593 -10.966 4.758 -1.494 1.00 0.00 N ATOM 871 CA GLU A 593 -10.331 5.990 -1.945 1.00 0.00 C ATOM 872 C GLU A 593 -9.575 6.675 -0.806 1.00 0.00 C ATOM 873 O GLU A 593 -8.475 7.198 -1.006 1.00 0.00 O ATOM 874 CB GLU A 593 -11.377 6.932 -2.545 1.00 0.00 C ATOM 875 CG GLU A 593 -11.778 6.558 -3.966 1.00 0.00 C ATOM 876 CD GLU A 593 -12.648 7.611 -4.626 1.00 0.00 C ATOM 877 OE1 GLU A 593 -12.156 8.739 -4.844 1.00 0.00 O ATOM 878 OE2 GLU A 593 -13.824 7.319 -4.936 1.00 0.00 O ATOM 0 H GLU A 593 -11.979 4.741 -1.615 1.00 0.00 H new ATOM 0 HA GLU A 593 -9.604 5.736 -2.716 1.00 0.00 H new ATOM 0 HB2 GLU A 593 -12.264 6.930 -1.912 1.00 0.00 H new ATOM 0 HB3 GLU A 593 -10.985 7.949 -2.541 1.00 0.00 H new ATOM 0 HG2 GLU A 593 -10.880 6.408 -4.565 1.00 0.00 H new ATOM 0 HG3 GLU A 593 -12.313 5.609 -3.950 1.00 0.00 H new ATOM 885 N HIS A 594 -10.145 6.645 0.390 1.00 0.00 N ATOM 886 CA HIS A 594 -9.465 7.179 1.565 1.00 0.00 C ATOM 887 C HIS A 594 -8.278 6.300 1.937 1.00 0.00 C ATOM 888 O HIS A 594 -7.204 6.800 2.265 1.00 0.00 O ATOM 889 CB HIS A 594 -10.427 7.298 2.746 1.00 0.00 C ATOM 890 CG HIS A 594 -11.290 8.519 2.696 1.00 0.00 C ATOM 891 ND1 HIS A 594 -12.538 8.538 2.116 1.00 0.00 N ATOM 892 CD2 HIS A 594 -11.075 9.774 3.161 1.00 0.00 C ATOM 893 CE1 HIS A 594 -13.054 9.750 2.226 1.00 0.00 C ATOM 894 NE2 HIS A 594 -12.188 10.519 2.856 1.00 0.00 N ATOM 0 H HIS A 594 -11.071 6.259 0.574 1.00 0.00 H new ATOM 0 HA HIS A 594 -9.100 8.177 1.321 1.00 0.00 H new ATOM 0 HB2 HIS A 594 -11.064 6.414 2.775 1.00 0.00 H new ATOM 0 HB3 HIS A 594 -9.852 7.307 3.672 1.00 0.00 H new ATOM 0 HD1 HIS A 594 -12.994 7.741 1.671 1.00 0.00 H new ATOM 0 HD2 HIS A 594 -10.192 10.123 3.676 1.00 0.00 H new ATOM 0 HE1 HIS A 594 -14.023 10.059 1.861 1.00 0.00 H new ATOM 903 N LYS A 595 -8.476 4.988 1.865 1.00 0.00 N ATOM 904 CA LYS A 595 -7.410 4.035 2.111 1.00 0.00 C ATOM 905 C LYS A 595 -6.273 4.238 1.119 1.00 0.00 C ATOM 906 O LYS A 595 -5.099 4.073 1.455 1.00 0.00 O ATOM 907 CB LYS A 595 -7.945 2.612 1.973 1.00 0.00 C ATOM 908 CG LYS A 595 -7.052 1.574 2.617 1.00 0.00 C ATOM 909 CD LYS A 595 -6.891 1.844 4.099 1.00 0.00 C ATOM 910 CE LYS A 595 -8.214 1.763 4.840 1.00 0.00 C ATOM 911 NZ LYS A 595 -8.049 2.015 6.294 1.00 0.00 N ATOM 0 H LYS A 595 -9.374 4.562 1.636 1.00 0.00 H new ATOM 0 HA LYS A 595 -7.035 4.193 3.122 1.00 0.00 H new ATOM 0 HB2 LYS A 595 -8.936 2.558 2.423 1.00 0.00 H new ATOM 0 HB3 LYS A 595 -8.062 2.376 0.915 1.00 0.00 H new ATOM 0 HG2 LYS A 595 -7.476 0.581 2.468 1.00 0.00 H new ATOM 0 HG3 LYS A 595 -6.075 1.579 2.134 1.00 0.00 H new ATOM 0 HD2 LYS A 595 -6.193 1.124 4.525 1.00 0.00 H new ATOM 0 HD3 LYS A 595 -6.456 2.833 4.242 1.00 0.00 H new ATOM 0 HE2 LYS A 595 -8.910 2.490 4.422 1.00 0.00 H new ATOM 0 HE3 LYS A 595 -8.655 0.777 4.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 595 -8.949 2.351 6.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 595 -7.768 1.134 6.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 595 -7.315 2.737 6.440 1.00 0.00 H new ATOM 925 N ARG A 596 -6.643 4.580 -0.108 1.00 0.00 N ATOM 926 CA ARG A 596 -5.679 4.841 -1.163 1.00 0.00 C ATOM 927 C ARG A 596 -4.780 5.995 -0.761 1.00 0.00 C ATOM 928 O ARG A 596 -3.569 5.943 -0.959 1.00 0.00 O ATOM 929 CB ARG A 596 -6.400 5.158 -2.474 1.00 0.00 C ATOM 930 CG ARG A 596 -5.502 5.137 -3.701 1.00 0.00 C ATOM 931 CD ARG A 596 -6.320 5.028 -4.982 1.00 0.00 C ATOM 932 NE ARG A 596 -7.196 6.184 -5.189 1.00 0.00 N ATOM 933 CZ ARG A 596 -7.731 6.508 -6.367 1.00 0.00 C ATOM 934 NH1 ARG A 596 -7.435 5.796 -7.449 1.00 0.00 N ATOM 935 NH2 ARG A 596 -8.552 7.546 -6.469 1.00 0.00 N ATOM 0 H ARG A 596 -7.616 4.683 -0.397 1.00 0.00 H new ATOM 0 HA ARG A 596 -5.067 3.952 -1.314 1.00 0.00 H new ATOM 0 HB2 ARG A 596 -7.206 4.438 -2.615 1.00 0.00 H new ATOM 0 HB3 ARG A 596 -6.862 6.142 -2.393 1.00 0.00 H new ATOM 0 HG2 ARG A 596 -4.898 6.044 -3.728 1.00 0.00 H new ATOM 0 HG3 ARG A 596 -4.811 4.296 -3.635 1.00 0.00 H new ATOM 0 HD2 ARG A 596 -5.645 4.931 -5.833 1.00 0.00 H new ATOM 0 HD3 ARG A 596 -6.923 4.121 -4.948 1.00 0.00 H new ATOM 0 HE ARG A 596 -7.409 6.775 -4.386 1.00 0.00 H new ATOM 0 HH11 ARG A 596 -6.799 5.002 -7.379 1.00 0.00 H new ATOM 0 HH12 ARG A 596 -7.844 6.044 -8.350 1.00 0.00 H new ATOM 0 HH21 ARG A 596 -8.777 8.101 -5.644 1.00 0.00 H new ATOM 0 HH22 ARG A 596 -8.958 7.788 -7.373 1.00 0.00 H new ATOM 949 N LYS A 597 -5.385 7.023 -0.171 1.00 0.00 N ATOM 950 CA LYS A 597 -4.633 8.155 0.354 1.00 0.00 C ATOM 951 C LYS A 597 -3.679 7.691 1.445 1.00 0.00 C ATOM 952 O LYS A 597 -2.510 8.056 1.458 1.00 0.00 O ATOM 953 CB LYS A 597 -5.571 9.222 0.923 1.00 0.00 C ATOM 954 CG LYS A 597 -6.656 9.680 -0.030 1.00 0.00 C ATOM 955 CD LYS A 597 -6.090 10.124 -1.361 1.00 0.00 C ATOM 956 CE LYS A 597 -7.160 10.767 -2.217 1.00 0.00 C ATOM 957 NZ LYS A 597 -7.554 12.106 -1.700 1.00 0.00 N ATOM 0 H LYS A 597 -6.395 7.094 -0.045 1.00 0.00 H new ATOM 0 HA LYS A 597 -4.066 8.590 -0.469 1.00 0.00 H new ATOM 0 HB2 LYS A 597 -6.040 8.831 1.826 1.00 0.00 H new ATOM 0 HB3 LYS A 597 -4.978 10.087 1.221 1.00 0.00 H new ATOM 0 HG2 LYS A 597 -7.365 8.867 -0.190 1.00 0.00 H new ATOM 0 HG3 LYS A 597 -7.211 10.503 0.421 1.00 0.00 H new ATOM 0 HD2 LYS A 597 -5.277 10.831 -1.197 1.00 0.00 H new ATOM 0 HD3 LYS A 597 -5.667 9.267 -1.885 1.00 0.00 H new ATOM 0 HE2 LYS A 597 -6.796 10.865 -3.240 1.00 0.00 H new ATOM 0 HE3 LYS A 597 -8.036 10.119 -2.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 597 -8.102 12.611 -2.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 597 -8.135 11.991 -0.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 597 -6.701 12.653 -1.467 1.00 0.00 H new ATOM 971 N GLU A 598 -4.190 6.853 2.340 1.00 0.00 N ATOM 972 CA GLU A 598 -3.410 6.344 3.466 1.00 0.00 C ATOM 973 C GLU A 598 -2.189 5.571 2.984 1.00 0.00 C ATOM 974 O GLU A 598 -1.053 5.846 3.382 1.00 0.00 O ATOM 975 CB GLU A 598 -4.266 5.413 4.318 1.00 0.00 C ATOM 976 CG GLU A 598 -5.537 6.044 4.858 1.00 0.00 C ATOM 977 CD GLU A 598 -6.079 5.310 6.066 1.00 0.00 C ATOM 978 OE1 GLU A 598 -6.186 4.070 6.019 1.00 0.00 O ATOM 979 OE2 GLU A 598 -6.402 5.975 7.075 1.00 0.00 O ATOM 0 H GLU A 598 -5.149 6.508 2.308 1.00 0.00 H new ATOM 0 HA GLU A 598 -3.083 7.201 4.054 1.00 0.00 H new ATOM 0 HB2 GLU A 598 -4.533 4.540 3.723 1.00 0.00 H new ATOM 0 HB3 GLU A 598 -3.668 5.056 5.157 1.00 0.00 H new ATOM 0 HG2 GLU A 598 -5.338 7.082 5.126 1.00 0.00 H new ATOM 0 HG3 GLU A 598 -6.294 6.057 4.074 1.00 0.00 H new ATOM 986 N LEU A 599 -2.443 4.586 2.138 1.00 0.00 N ATOM 987 CA LEU A 599 -1.388 3.761 1.563 1.00 0.00 C ATOM 988 C LEU A 599 -0.404 4.646 0.803 1.00 0.00 C ATOM 989 O LEU A 599 0.808 4.475 0.902 1.00 0.00 O ATOM 990 CB LEU A 599 -2.014 2.705 0.638 1.00 0.00 C ATOM 991 CG LEU A 599 -1.116 1.529 0.217 1.00 0.00 C ATOM 992 CD1 LEU A 599 -0.034 1.967 -0.752 1.00 0.00 C ATOM 993 CD2 LEU A 599 -0.497 0.858 1.429 1.00 0.00 C ATOM 0 H LEU A 599 -3.382 4.335 1.830 1.00 0.00 H new ATOM 0 HA LEU A 599 -0.843 3.246 2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 599 -2.895 2.298 1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 599 -2.361 3.208 -0.265 1.00 0.00 H new ATOM 0 HG LEU A 599 -1.751 0.807 -0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 599 0.579 1.108 -1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 599 -0.495 2.384 -1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 599 0.592 2.724 -0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 599 0.133 0.030 1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 599 0.108 1.581 1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -1.287 0.480 2.078 1.00 0.00 H new ATOM 1005 N GLU A 600 -0.937 5.602 0.064 1.00 0.00 N ATOM 1006 CA GLU A 600 -0.124 6.563 -0.669 1.00 0.00 C ATOM 1007 C GLU A 600 0.826 7.299 0.272 1.00 0.00 C ATOM 1008 O GLU A 600 1.996 7.472 -0.038 1.00 0.00 O ATOM 1009 CB GLU A 600 -1.033 7.561 -1.390 1.00 0.00 C ATOM 1010 CG GLU A 600 -0.302 8.547 -2.283 1.00 0.00 C ATOM 1011 CD GLU A 600 -1.256 9.485 -2.991 1.00 0.00 C ATOM 1012 OE1 GLU A 600 -1.885 9.057 -3.983 1.00 0.00 O ATOM 1013 OE2 GLU A 600 -1.390 10.652 -2.555 1.00 0.00 O ATOM 0 H GLU A 600 -1.942 5.736 -0.047 1.00 0.00 H new ATOM 0 HA GLU A 600 0.476 6.026 -1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 600 -1.752 7.008 -1.994 1.00 0.00 H new ATOM 0 HB3 GLU A 600 -1.603 8.117 -0.646 1.00 0.00 H new ATOM 0 HG2 GLU A 600 0.400 9.128 -1.684 1.00 0.00 H new ATOM 0 HG3 GLU A 600 0.285 8.001 -3.022 1.00 0.00 H new ATOM 1020 N GLN A 601 0.328 7.705 1.431 1.00 0.00 N ATOM 1021 CA GLN A 601 1.143 8.438 2.391 1.00 0.00 C ATOM 1022 C GLN A 601 2.252 7.570 2.983 1.00 0.00 C ATOM 1023 O GLN A 601 3.299 8.085 3.367 1.00 0.00 O ATOM 1024 CB GLN A 601 0.281 9.000 3.518 1.00 0.00 C ATOM 1025 CG GLN A 601 -0.834 9.907 3.035 1.00 0.00 C ATOM 1026 CD GLN A 601 -1.692 10.445 4.164 1.00 0.00 C ATOM 1027 OE1 GLN A 601 -2.890 10.664 3.991 1.00 0.00 O ATOM 1028 NE2 GLN A 601 -1.090 10.678 5.323 1.00 0.00 N ATOM 0 H GLN A 601 -0.633 7.540 1.730 1.00 0.00 H new ATOM 0 HA GLN A 601 1.608 9.259 1.845 1.00 0.00 H new ATOM 0 HB2 GLN A 601 -0.153 8.173 4.080 1.00 0.00 H new ATOM 0 HB3 GLN A 601 0.917 9.555 4.208 1.00 0.00 H new ATOM 0 HG2 GLN A 601 -0.402 10.743 2.484 1.00 0.00 H new ATOM 0 HG3 GLN A 601 -1.465 9.357 2.337 1.00 0.00 H new ATOM 0 HE21 GLN A 601 -0.094 10.484 5.429 1.00 0.00 H new ATOM 0 HE22 GLN A 601 -1.623 11.051 6.108 1.00 0.00 H new ATOM 1037 N VAL A 602 2.029 6.261 3.084 1.00 0.00 N ATOM 1038 CA VAL A 602 3.059 5.377 3.632 1.00 0.00 C ATOM 1039 C VAL A 602 4.172 5.140 2.607 1.00 0.00 C ATOM 1040 O VAL A 602 5.349 5.107 2.955 1.00 0.00 O ATOM 1041 CB VAL A 602 2.479 4.021 4.118 1.00 0.00 C ATOM 1042 CG1 VAL A 602 2.343 3.020 2.985 1.00 0.00 C ATOM 1043 CG2 VAL A 602 3.333 3.436 5.235 1.00 0.00 C ATOM 0 H VAL A 602 1.166 5.796 2.801 1.00 0.00 H new ATOM 0 HA VAL A 602 3.477 5.882 4.503 1.00 0.00 H new ATOM 0 HB VAL A 602 1.480 4.223 4.504 1.00 0.00 H new ATOM 0 HG11 VAL A 602 1.934 2.087 3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 602 1.675 3.421 2.223 1.00 0.00 H new ATOM 0 HG13 VAL A 602 3.323 2.832 2.546 1.00 0.00 H new ATOM 0 HG21 VAL A 602 2.907 2.486 5.559 1.00 0.00 H new ATOM 0 HG22 VAL A 602 4.347 3.273 4.870 1.00 0.00 H new ATOM 0 HG23 VAL A 602 3.357 4.129 6.076 1.00 0.00 H new ATOM 1053 N CYS A 603 3.787 4.981 1.345 1.00 0.00 N ATOM 1054 CA CYS A 603 4.739 4.713 0.274 1.00 0.00 C ATOM 1055 C CYS A 603 5.375 5.997 -0.253 1.00 0.00 C ATOM 1056 O CYS A 603 6.493 5.974 -0.746 1.00 0.00 O ATOM 1057 CB CYS A 603 4.058 3.960 -0.868 1.00 0.00 C ATOM 1058 SG CYS A 603 2.535 4.726 -1.460 1.00 0.00 S ATOM 0 H CYS A 603 2.816 5.034 1.038 1.00 0.00 H new ATOM 0 HA CYS A 603 5.533 4.094 0.691 1.00 0.00 H new ATOM 0 HB2 CYS A 603 4.757 3.878 -1.701 1.00 0.00 H new ATOM 0 HB3 CYS A 603 3.836 2.946 -0.537 1.00 0.00 H new ATOM 0 HG CYS A 603 1.621 4.641 -0.540 1.00 0.00 H new ATOM 1064 N ASN A 604 4.658 7.108 -0.147 1.00 0.00 N ATOM 1065 CA ASN A 604 5.107 8.390 -0.700 1.00 0.00 C ATOM 1066 C ASN A 604 6.547 8.738 -0.289 1.00 0.00 C ATOM 1067 O ASN A 604 7.378 8.970 -1.161 1.00 0.00 O ATOM 1068 CB ASN A 604 4.145 9.511 -0.288 1.00 0.00 C ATOM 1069 CG ASN A 604 4.576 10.881 -0.766 1.00 0.00 C ATOM 1070 OD1 ASN A 604 5.122 11.037 -1.861 1.00 0.00 O ATOM 1071 ND2 ASN A 604 4.336 11.886 0.061 1.00 0.00 N ATOM 0 H ASN A 604 3.753 7.152 0.321 1.00 0.00 H new ATOM 0 HA ASN A 604 5.103 8.291 -1.785 1.00 0.00 H new ATOM 0 HB2 ASN A 604 3.153 9.292 -0.684 1.00 0.00 H new ATOM 0 HB3 ASN A 604 4.059 9.524 0.799 1.00 0.00 H new ATOM 0 HD21 ASN A 604 4.605 12.835 -0.198 1.00 0.00 H new ATOM 0 HD22 ASN A 604 3.882 11.711 0.957 1.00 0.00 H new ATOM 1078 N PRO A 605 6.887 8.758 1.022 1.00 0.00 N ATOM 1079 CA PRO A 605 8.247 9.100 1.473 1.00 0.00 C ATOM 1080 C PRO A 605 9.299 8.147 0.923 1.00 0.00 C ATOM 1081 O PRO A 605 10.460 8.516 0.748 1.00 0.00 O ATOM 1082 CB PRO A 605 8.159 8.983 2.996 1.00 0.00 C ATOM 1083 CG PRO A 605 6.718 9.167 3.289 1.00 0.00 C ATOM 1084 CD PRO A 605 6.013 8.470 2.170 1.00 0.00 C ATOM 0 HA PRO A 605 8.553 10.087 1.127 1.00 0.00 H new ATOM 0 HB2 PRO A 605 8.516 8.013 3.343 1.00 0.00 H new ATOM 0 HB3 PRO A 605 8.766 9.741 3.490 1.00 0.00 H new ATOM 0 HG2 PRO A 605 6.452 8.737 4.254 1.00 0.00 H new ATOM 0 HG3 PRO A 605 6.453 10.224 3.327 1.00 0.00 H new ATOM 0 HD2 PRO A 605 5.920 7.399 2.352 1.00 0.00 H new ATOM 0 HD3 PRO A 605 5.005 8.857 2.021 1.00 0.00 H new ATOM 1092 N ILE A 606 8.872 6.931 0.636 1.00 0.00 N ATOM 1093 CA ILE A 606 9.749 5.908 0.107 1.00 0.00 C ATOM 1094 C ILE A 606 9.873 6.069 -1.411 1.00 0.00 C ATOM 1095 O ILE A 606 10.960 5.959 -1.972 1.00 0.00 O ATOM 1096 CB ILE A 606 9.235 4.498 0.496 1.00 0.00 C ATOM 1097 CG1 ILE A 606 8.601 3.787 -0.698 1.00 0.00 C ATOM 1098 CG2 ILE A 606 8.251 4.591 1.657 1.00 0.00 C ATOM 1099 CD1 ILE A 606 7.682 2.649 -0.322 1.00 0.00 C ATOM 0 H ILE A 606 7.907 6.627 0.764 1.00 0.00 H new ATOM 0 HA ILE A 606 10.742 6.021 0.542 1.00 0.00 H new ATOM 0 HB ILE A 606 10.092 3.904 0.815 1.00 0.00 H new ATOM 0 HG12 ILE A 606 8.040 4.515 -1.284 1.00 0.00 H new ATOM 0 HG13 ILE A 606 9.393 3.403 -1.341 1.00 0.00 H new ATOM 0 HG21 ILE A 606 7.900 3.592 1.917 1.00 0.00 H new ATOM 0 HG22 ILE A 606 8.747 5.038 2.519 1.00 0.00 H new ATOM 0 HG23 ILE A 606 7.402 5.210 1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 606 7.273 2.198 -1.226 1.00 0.00 H new ATOM 0 HD12 ILE A 606 8.241 1.899 0.237 1.00 0.00 H new ATOM 0 HD13 ILE A 606 6.867 3.028 0.295 1.00 0.00 H new ATOM 1111 N ILE A 607 8.747 6.374 -2.057 1.00 0.00 N ATOM 1112 CA ILE A 607 8.692 6.589 -3.497 1.00 0.00 C ATOM 1113 C ILE A 607 9.505 7.824 -3.888 1.00 0.00 C ATOM 1114 O ILE A 607 10.084 7.880 -4.974 1.00 0.00 O ATOM 1115 CB ILE A 607 7.213 6.714 -3.977 1.00 0.00 C ATOM 1116 CG1 ILE A 607 6.706 5.380 -4.542 1.00 0.00 C ATOM 1117 CG2 ILE A 607 7.035 7.820 -5.006 1.00 0.00 C ATOM 1118 CD1 ILE A 607 6.670 4.249 -3.539 1.00 0.00 C ATOM 0 H ILE A 607 7.846 6.478 -1.591 1.00 0.00 H new ATOM 0 HA ILE A 607 9.134 5.725 -3.993 1.00 0.00 H new ATOM 0 HB ILE A 607 6.619 6.978 -3.102 1.00 0.00 H new ATOM 0 HG12 ILE A 607 5.703 5.527 -4.942 1.00 0.00 H new ATOM 0 HG13 ILE A 607 7.342 5.088 -5.377 1.00 0.00 H new ATOM 0 HG21 ILE A 607 5.989 7.869 -5.310 1.00 0.00 H new ATOM 0 HG22 ILE A 607 7.331 8.774 -4.570 1.00 0.00 H new ATOM 0 HG23 ILE A 607 7.657 7.611 -5.876 1.00 0.00 H new ATOM 0 HD11 ILE A 607 6.300 3.345 -4.023 1.00 0.00 H new ATOM 0 HD12 ILE A 607 7.675 4.070 -3.156 1.00 0.00 H new ATOM 0 HD13 ILE A 607 6.010 4.515 -2.714 1.00 0.00 H new ATOM 1130 N SER A 608 9.572 8.797 -2.982 1.00 0.00 N ATOM 1131 CA SER A 608 10.355 9.998 -3.189 1.00 0.00 C ATOM 1132 C SER A 608 11.834 9.676 -3.399 1.00 0.00 C ATOM 1133 O SER A 608 12.572 10.457 -4.004 1.00 0.00 O ATOM 1134 CB SER A 608 10.174 10.914 -1.984 1.00 0.00 C ATOM 1135 OG SER A 608 8.806 11.225 -1.790 1.00 0.00 O ATOM 0 H SER A 608 9.083 8.769 -2.087 1.00 0.00 H new ATOM 0 HA SER A 608 10.005 10.496 -4.093 1.00 0.00 H new ATOM 0 HB2 SER A 608 10.572 10.431 -1.091 1.00 0.00 H new ATOM 0 HB3 SER A 608 10.743 11.832 -2.131 1.00 0.00 H new ATOM 0 HG SER A 608 8.331 10.428 -1.475 1.00 0.00 H new ATOM 1141 N GLY A 609 12.262 8.519 -2.910 1.00 0.00 N ATOM 1142 CA GLY A 609 13.640 8.116 -3.069 1.00 0.00 C ATOM 1143 C GLY A 609 13.790 6.953 -4.026 1.00 0.00 C ATOM 1144 O GLY A 609 14.879 6.400 -4.166 1.00 0.00 O ATOM 0 H GLY A 609 11.676 7.854 -2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 609 14.224 8.961 -3.433 1.00 0.00 H new ATOM 0 HA3 GLY A 609 14.050 7.840 -2.098 1.00 0.00 H new ATOM 1148 N LEU A 610 12.700 6.582 -4.683 1.00 0.00 N ATOM 1149 CA LEU A 610 12.702 5.463 -5.611 1.00 0.00 C ATOM 1150 C LEU A 610 12.570 5.960 -7.044 1.00 0.00 C ATOM 1151 O LEU A 610 11.435 6.250 -7.473 1.00 0.00 O ATOM 1152 CB LEU A 610 11.562 4.493 -5.286 1.00 0.00 C ATOM 1153 CG LEU A 610 11.707 3.725 -3.971 1.00 0.00 C ATOM 1154 CD1 LEU A 610 10.518 2.800 -3.768 1.00 0.00 C ATOM 1155 CD2 LEU A 610 13.007 2.936 -3.953 1.00 0.00 C ATOM 1156 OXT LEU A 610 13.610 6.067 -7.735 1.00 0.00 O ATOM 0 H LEU A 610 11.796 7.045 -4.588 1.00 0.00 H new ATOM 0 HA LEU A 610 13.650 4.936 -5.508 1.00 0.00 H new ATOM 0 HB2 LEU A 610 10.628 5.054 -5.258 1.00 0.00 H new ATOM 0 HB3 LEU A 610 11.477 3.773 -6.100 1.00 0.00 H new ATOM 0 HG LEU A 610 11.732 4.443 -3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 610 10.634 2.259 -2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 610 9.601 3.388 -3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 610 10.466 2.088 -4.592 1.00 0.00 H new ATOM 0 HD21 LEU A 610 13.092 2.396 -3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 610 13.013 2.225 -4.779 1.00 0.00 H new ATOM 0 HD23 LEU A 610 13.849 3.620 -4.057 1.00 0.00 H new TER 1168 LEU A 610