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 180:sc= 0.00341 USER MOD Single : A 539 LYS NZ :NH3+ -151:sc= 1.38 (180deg=0.0357) USER MOD Single : A 540 ASN : amide:sc= -2.76! C(o=-2.8!,f=-4.1!) USER MOD Single : A 544 SER OG : rot 91:sc= 1.26 USER MOD Single : A 545 TYR OH : rot 180:sc= 0 USER MOD Single : A 548 ASN : amide:sc= -0.226 K(o=-0.23,f=-1.8!) USER MOD Single : A 549 MET CE :methyl 145:sc= -0.841 (180deg=-2.66!) USER MOD Single : A 550 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.26) USER MOD Single : A 551 SER OG : rot 180:sc= 0 USER MOD Single : A 559 LYS NZ :NH3+ 166:sc= -0.0384 (180deg=-0.264) 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= 0.134! (180deg=-0.401!) USER MOD Single : A 568 LYS NZ :NH3+ 162:sc= 1.29 (180deg=0.77) USER MOD Single : A 569 LYS NZ :NH3+ 137:sc= -0.378 (180deg=-1.97!) USER MOD Single : A 573 LYS NZ :NH3+ -151:sc= -2.73! (180deg=-3.54!) USER MOD Single : A 574 CYS SG : rot -123:sc= -3.98! USER MOD Single : A 575 GLN : amide:sc= -0.451 X(o=-0.45,f=-0.093) USER MOD Single : A 579 SER OG : rot 180:sc= 0 USER MOD Single : A 584 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 585 THR OG1 : rot 180:sc= -0.558 USER MOD Single : A 589 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 594 HIS : no HE2:sc= 0.321 K(o=0.32,f=-2.9!) USER MOD Single : A 595 LYS NZ :NH3+ -161:sc= 1.2 (180deg=0.649) USER MOD Single : A 597 LYS NZ :NH3+ 145:sc= 1.25 (180deg=0.499) USER MOD Single : A 601 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 603 CYS SG : rot -74:sc= -1.47! USER MOD Single : A 604 ASN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 608 SER OG : rot -86:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 537 -12.909 -1.115 -10.340 1.00 0.00 N ATOM 2 CA SER A 537 -13.131 -1.316 -8.893 1.00 0.00 C ATOM 3 C SER A 537 -12.054 -0.616 -8.075 1.00 0.00 C ATOM 4 O SER A 537 -10.858 -0.780 -8.332 1.00 0.00 O ATOM 5 CB SER A 537 -13.147 -2.810 -8.567 1.00 0.00 C ATOM 6 OG SER A 537 -13.297 -3.034 -7.171 1.00 0.00 O ATOM 0 HA SER A 537 -14.096 -0.882 -8.632 1.00 0.00 H new ATOM 0 HB2 SER A 537 -13.963 -3.293 -9.104 1.00 0.00 H new ATOM 0 HB3 SER A 537 -12.221 -3.270 -8.914 1.00 0.00 H new ATOM 0 HG SER A 537 -13.305 -3.998 -6.993 1.00 0.00 H new ATOM 12 N ALA A 538 -12.489 0.163 -7.083 1.00 0.00 N ATOM 13 CA ALA A 538 -11.561 0.839 -6.184 1.00 0.00 C ATOM 14 C ALA A 538 -10.860 -0.177 -5.296 1.00 0.00 C ATOM 15 O ALA A 538 -9.737 0.048 -4.856 1.00 0.00 O ATOM 16 CB ALA A 538 -12.274 1.881 -5.332 1.00 0.00 C ATOM 0 H ALA A 538 -13.474 0.339 -6.885 1.00 0.00 H new ATOM 0 HA ALA A 538 -10.818 1.356 -6.792 1.00 0.00 H new ATOM 0 HB1 ALA A 538 -11.554 2.367 -4.673 1.00 0.00 H new ATOM 0 HB2 ALA A 538 -12.734 2.627 -5.979 1.00 0.00 H new ATOM 0 HB3 ALA A 538 -13.045 1.396 -4.733 1.00 0.00 H new ATOM 22 N LYS A 539 -11.530 -1.297 -5.038 1.00 0.00 N ATOM 23 CA LYS A 539 -10.927 -2.396 -4.297 1.00 0.00 C ATOM 24 C LYS A 539 -9.766 -2.956 -5.107 1.00 0.00 C ATOM 25 O LYS A 539 -8.668 -3.164 -4.592 1.00 0.00 O ATOM 26 CB LYS A 539 -11.981 -3.486 -4.029 1.00 0.00 C ATOM 27 CG LYS A 539 -11.556 -4.573 -3.046 1.00 0.00 C ATOM 28 CD LYS A 539 -10.644 -5.590 -3.706 1.00 0.00 C ATOM 29 CE LYS A 539 -10.453 -6.826 -2.846 1.00 0.00 C ATOM 30 NZ LYS A 539 -9.646 -7.862 -3.548 1.00 0.00 N ATOM 0 H LYS A 539 -12.492 -1.465 -5.332 1.00 0.00 H new ATOM 0 HA LYS A 539 -10.555 -2.040 -3.336 1.00 0.00 H new ATOM 0 HB2 LYS A 539 -12.885 -3.009 -3.650 1.00 0.00 H new ATOM 0 HB3 LYS A 539 -12.242 -3.957 -4.977 1.00 0.00 H new ATOM 0 HG2 LYS A 539 -11.044 -4.119 -2.198 1.00 0.00 H new ATOM 0 HG3 LYS A 539 -12.440 -5.076 -2.653 1.00 0.00 H new ATOM 0 HD2 LYS A 539 -11.062 -5.880 -4.670 1.00 0.00 H new ATOM 0 HD3 LYS A 539 -9.675 -5.133 -3.904 1.00 0.00 H new ATOM 0 HE2 LYS A 539 -9.960 -6.549 -1.914 1.00 0.00 H new ATOM 0 HE3 LYS A 539 -11.426 -7.240 -2.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 539 -9.923 -8.806 -3.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 539 -9.814 -7.798 -4.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 539 -8.636 -7.707 -3.352 1.00 0.00 H new ATOM 44 N ASN A 540 -10.035 -3.179 -6.386 1.00 0.00 N ATOM 45 CA ASN A 540 -9.035 -3.659 -7.330 1.00 0.00 C ATOM 46 C ASN A 540 -7.857 -2.700 -7.400 1.00 0.00 C ATOM 47 O ASN A 540 -6.706 -3.120 -7.313 1.00 0.00 O ATOM 48 CB ASN A 540 -9.667 -3.796 -8.715 1.00 0.00 C ATOM 49 CG ASN A 540 -10.645 -4.946 -8.815 1.00 0.00 C ATOM 50 OD1 ASN A 540 -11.113 -5.486 -7.810 1.00 0.00 O ATOM 51 ND2 ASN A 540 -10.995 -5.291 -10.035 1.00 0.00 N ATOM 0 H ASN A 540 -10.956 -3.032 -6.799 1.00 0.00 H new ATOM 0 HA ASN A 540 -8.672 -4.629 -6.991 1.00 0.00 H new ATOM 0 HB2 ASN A 540 -10.181 -2.868 -8.966 1.00 0.00 H new ATOM 0 HB3 ASN A 540 -8.878 -3.933 -9.455 1.00 0.00 H new ATOM 0 HD21 ASN A 540 -11.680 -6.033 -10.178 1.00 0.00 H new ATOM 0 HD22 ASN A 540 -10.582 -4.816 -10.838 1.00 0.00 H new ATOM 58 N ALA A 541 -8.156 -1.412 -7.539 1.00 0.00 N ATOM 59 CA ALA A 541 -7.121 -0.385 -7.587 1.00 0.00 C ATOM 60 C ALA A 541 -6.323 -0.357 -6.294 1.00 0.00 C ATOM 61 O ALA A 541 -5.096 -0.323 -6.313 1.00 0.00 O ATOM 62 CB ALA A 541 -7.733 0.981 -7.849 1.00 0.00 C ATOM 0 H ALA A 541 -9.108 -1.054 -7.620 1.00 0.00 H new ATOM 0 HA ALA A 541 -6.445 -0.631 -8.406 1.00 0.00 H new ATOM 0 HB1 ALA A 541 -6.944 1.733 -7.881 1.00 0.00 H new ATOM 0 HB2 ALA A 541 -8.260 0.967 -8.803 1.00 0.00 H new ATOM 0 HB3 ALA A 541 -8.434 1.225 -7.051 1.00 0.00 H new ATOM 68 N LEU A 542 -7.033 -0.391 -5.178 1.00 0.00 N ATOM 69 CA LEU A 542 -6.420 -0.303 -3.861 1.00 0.00 C ATOM 70 C LEU A 542 -5.472 -1.459 -3.607 1.00 0.00 C ATOM 71 O LEU A 542 -4.337 -1.260 -3.174 1.00 0.00 O ATOM 72 CB LEU A 542 -7.502 -0.298 -2.789 1.00 0.00 C ATOM 73 CG LEU A 542 -7.449 0.877 -1.827 1.00 0.00 C ATOM 74 CD1 LEU A 542 -6.147 0.879 -1.044 1.00 0.00 C ATOM 75 CD2 LEU A 542 -7.598 2.166 -2.595 1.00 0.00 C ATOM 0 H LEU A 542 -8.049 -0.480 -5.159 1.00 0.00 H new ATOM 0 HA LEU A 542 -5.847 0.624 -3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 542 -8.476 -0.304 -3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 542 -7.428 -1.222 -2.215 1.00 0.00 H new ATOM 0 HG LEU A 542 -8.269 0.783 -1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 542 -6.134 1.730 -0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 542 -6.065 -0.045 -0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 542 -5.307 0.954 -1.735 1.00 0.00 H new ATOM 0 HD21 LEU A 542 -7.560 3.008 -1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 542 -6.788 2.254 -3.319 1.00 0.00 H new ATOM 0 HD23 LEU A 542 -8.554 2.169 -3.118 1.00 0.00 H new ATOM 87 N GLU A 543 -5.938 -2.665 -3.887 1.00 0.00 N ATOM 88 CA GLU A 543 -5.159 -3.847 -3.619 1.00 0.00 C ATOM 89 C GLU A 543 -3.960 -3.910 -4.546 1.00 0.00 C ATOM 90 O GLU A 543 -2.865 -4.265 -4.125 1.00 0.00 O ATOM 91 CB GLU A 543 -6.025 -5.090 -3.757 1.00 0.00 C ATOM 92 CG GLU A 543 -5.491 -6.260 -2.960 1.00 0.00 C ATOM 93 CD GLU A 543 -6.137 -7.571 -3.346 1.00 0.00 C ATOM 94 OE1 GLU A 543 -5.645 -8.230 -4.282 1.00 0.00 O ATOM 95 OE2 GLU A 543 -7.154 -7.939 -2.722 1.00 0.00 O ATOM 0 H GLU A 543 -6.853 -2.844 -4.300 1.00 0.00 H new ATOM 0 HA GLU A 543 -4.790 -3.803 -2.594 1.00 0.00 H new ATOM 0 HB2 GLU A 543 -7.038 -4.861 -3.426 1.00 0.00 H new ATOM 0 HB3 GLU A 543 -6.088 -5.370 -4.809 1.00 0.00 H new ATOM 0 HG2 GLU A 543 -4.413 -6.333 -3.107 1.00 0.00 H new ATOM 0 HG3 GLU A 543 -5.656 -6.077 -1.898 1.00 0.00 H new ATOM 102 N SER A 544 -4.165 -3.541 -5.803 1.00 0.00 N ATOM 103 CA SER A 544 -3.073 -3.487 -6.760 1.00 0.00 C ATOM 104 C SER A 544 -2.066 -2.420 -6.348 1.00 0.00 C ATOM 105 O SER A 544 -0.866 -2.632 -6.426 1.00 0.00 O ATOM 106 CB SER A 544 -3.606 -3.196 -8.160 1.00 0.00 C ATOM 107 OG SER A 544 -4.594 -4.142 -8.530 1.00 0.00 O ATOM 0 H SER A 544 -5.075 -3.276 -6.181 1.00 0.00 H new ATOM 0 HA SER A 544 -2.574 -4.456 -6.773 1.00 0.00 H new ATOM 0 HB2 SER A 544 -4.028 -2.192 -8.192 1.00 0.00 H new ATOM 0 HB3 SER A 544 -2.786 -3.220 -8.878 1.00 0.00 H new ATOM 0 HG SER A 544 -5.478 -3.814 -8.262 1.00 0.00 H new ATOM 113 N TYR A 545 -2.575 -1.287 -5.879 1.00 0.00 N ATOM 114 CA TYR A 545 -1.737 -0.187 -5.418 1.00 0.00 C ATOM 115 C TYR A 545 -0.887 -0.644 -4.239 1.00 0.00 C ATOM 116 O TYR A 545 0.329 -0.446 -4.221 1.00 0.00 O ATOM 117 CB TYR A 545 -2.630 0.987 -4.995 1.00 0.00 C ATOM 118 CG TYR A 545 -1.921 2.317 -4.849 1.00 0.00 C ATOM 119 CD1 TYR A 545 -0.896 2.496 -3.931 1.00 0.00 C ATOM 120 CD2 TYR A 545 -2.295 3.401 -5.628 1.00 0.00 C ATOM 121 CE1 TYR A 545 -0.260 3.715 -3.795 1.00 0.00 C ATOM 122 CE2 TYR A 545 -1.665 4.624 -5.501 1.00 0.00 C ATOM 123 CZ TYR A 545 -0.647 4.777 -4.584 1.00 0.00 C ATOM 124 OH TYR A 545 -0.017 5.995 -4.453 1.00 0.00 O ATOM 0 H TYR A 545 -3.576 -1.105 -5.808 1.00 0.00 H new ATOM 0 HA TYR A 545 -1.078 0.132 -6.225 1.00 0.00 H new ATOM 0 HB2 TYR A 545 -3.429 1.098 -5.729 1.00 0.00 H new ATOM 0 HB3 TYR A 545 -3.102 0.739 -4.045 1.00 0.00 H new ATOM 0 HD1 TYR A 545 -0.589 1.667 -3.311 1.00 0.00 H new ATOM 0 HD2 TYR A 545 -3.093 3.287 -6.347 1.00 0.00 H new ATOM 0 HE1 TYR A 545 0.536 3.835 -3.075 1.00 0.00 H new ATOM 0 HE2 TYR A 545 -1.969 5.457 -6.118 1.00 0.00 H new ATOM 0 HH TYR A 545 -0.409 6.635 -5.083 1.00 0.00 H new ATOM 134 N ALA A 546 -1.529 -1.275 -3.263 1.00 0.00 N ATOM 135 CA ALA A 546 -0.829 -1.771 -2.094 1.00 0.00 C ATOM 136 C ALA A 546 0.144 -2.876 -2.486 1.00 0.00 C ATOM 137 O ALA A 546 1.287 -2.897 -2.028 1.00 0.00 O ATOM 138 CB ALA A 546 -1.821 -2.254 -1.046 1.00 0.00 C ATOM 0 H ALA A 546 -2.533 -1.453 -3.262 1.00 0.00 H new ATOM 0 HA ALA A 546 -0.252 -0.956 -1.658 1.00 0.00 H new ATOM 0 HB1 ALA A 546 -1.279 -2.623 -0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 546 -2.467 -1.428 -0.748 1.00 0.00 H new ATOM 0 HB3 ALA A 546 -2.428 -3.057 -1.463 1.00 0.00 H new ATOM 144 N PHE A 547 -0.310 -3.776 -3.353 1.00 0.00 N ATOM 145 CA PHE A 547 0.543 -4.825 -3.893 1.00 0.00 C ATOM 146 C PHE A 547 1.741 -4.225 -4.615 1.00 0.00 C ATOM 147 O PHE A 547 2.859 -4.700 -4.470 1.00 0.00 O ATOM 148 CB PHE A 547 -0.237 -5.711 -4.863 1.00 0.00 C ATOM 149 CG PHE A 547 -0.618 -7.051 -4.298 1.00 0.00 C ATOM 150 CD1 PHE A 547 -1.674 -7.170 -3.411 1.00 0.00 C ATOM 151 CD2 PHE A 547 0.079 -8.192 -4.662 1.00 0.00 C ATOM 152 CE1 PHE A 547 -2.028 -8.402 -2.896 1.00 0.00 C ATOM 153 CE2 PHE A 547 -0.270 -9.426 -4.149 1.00 0.00 C ATOM 154 CZ PHE A 547 -1.325 -9.531 -3.265 1.00 0.00 C ATOM 0 H PHE A 547 -1.270 -3.798 -3.697 1.00 0.00 H new ATOM 0 HA PHE A 547 0.893 -5.431 -3.057 1.00 0.00 H new ATOM 0 HB2 PHE A 547 -1.142 -5.187 -5.169 1.00 0.00 H new ATOM 0 HB3 PHE A 547 0.362 -5.864 -5.761 1.00 0.00 H new ATOM 0 HD1 PHE A 547 -2.227 -6.290 -3.118 1.00 0.00 H new ATOM 0 HD2 PHE A 547 0.904 -8.116 -5.354 1.00 0.00 H new ATOM 0 HE1 PHE A 547 -2.854 -8.482 -2.205 1.00 0.00 H new ATOM 0 HE2 PHE A 547 0.282 -10.308 -4.439 1.00 0.00 H new ATOM 0 HZ PHE A 547 -1.600 -10.495 -2.863 1.00 0.00 H new ATOM 164 N ASN A 548 1.488 -3.173 -5.388 1.00 0.00 N ATOM 165 CA ASN A 548 2.531 -2.490 -6.148 1.00 0.00 C ATOM 166 C ASN A 548 3.617 -1.944 -5.233 1.00 0.00 C ATOM 167 O ASN A 548 4.798 -2.184 -5.459 1.00 0.00 O ATOM 168 CB ASN A 548 1.938 -1.346 -6.984 1.00 0.00 C ATOM 169 CG ASN A 548 1.319 -1.821 -8.286 1.00 0.00 C ATOM 170 OD1 ASN A 548 1.696 -2.860 -8.828 1.00 0.00 O ATOM 171 ND2 ASN A 548 0.374 -1.053 -8.808 1.00 0.00 N ATOM 0 H ASN A 548 0.558 -2.771 -5.505 1.00 0.00 H new ATOM 0 HA ASN A 548 2.978 -3.226 -6.816 1.00 0.00 H new ATOM 0 HB2 ASN A 548 1.180 -0.829 -6.396 1.00 0.00 H new ATOM 0 HB3 ASN A 548 2.721 -0.621 -7.204 1.00 0.00 H new ATOM 0 HD21 ASN A 548 -0.068 -1.316 -9.689 1.00 0.00 H new ATOM 0 HD22 ASN A 548 0.088 -0.199 -8.329 1.00 0.00 H new ATOM 178 N MET A 549 3.218 -1.225 -4.189 1.00 0.00 N ATOM 179 CA MET A 549 4.179 -0.630 -3.272 1.00 0.00 C ATOM 180 C MET A 549 4.938 -1.721 -2.526 1.00 0.00 C ATOM 181 O MET A 549 6.158 -1.661 -2.376 1.00 0.00 O ATOM 182 CB MET A 549 3.460 0.280 -2.283 1.00 0.00 C ATOM 183 CG MET A 549 2.531 1.298 -2.931 1.00 0.00 C ATOM 184 SD MET A 549 3.386 2.570 -3.894 1.00 0.00 S ATOM 185 CE MET A 549 3.615 1.737 -5.462 1.00 0.00 C ATOM 0 H MET A 549 2.241 -1.042 -3.959 1.00 0.00 H new ATOM 0 HA MET A 549 4.892 -0.036 -3.844 1.00 0.00 H new ATOM 0 HB2 MET A 549 2.882 -0.336 -1.594 1.00 0.00 H new ATOM 0 HB3 MET A 549 4.204 0.811 -1.688 1.00 0.00 H new ATOM 0 HG2 MET A 549 1.832 0.773 -3.582 1.00 0.00 H new ATOM 0 HG3 MET A 549 1.940 1.782 -2.153 1.00 0.00 H new ATOM 0 HE1 MET A 549 3.526 2.459 -6.274 1.00 0.00 H new ATOM 0 HE2 MET A 549 4.604 1.279 -5.490 1.00 0.00 H new ATOM 0 HE3 MET A 549 2.854 0.965 -5.578 1.00 0.00 H new ATOM 195 N LYS A 550 4.193 -2.719 -2.073 1.00 0.00 N ATOM 196 CA LYS A 550 4.758 -3.876 -1.393 1.00 0.00 C ATOM 197 C LYS A 550 5.739 -4.615 -2.305 1.00 0.00 C ATOM 198 O LYS A 550 6.846 -4.951 -1.893 1.00 0.00 O ATOM 199 CB LYS A 550 3.613 -4.789 -0.932 1.00 0.00 C ATOM 200 CG LYS A 550 4.011 -6.203 -0.543 1.00 0.00 C ATOM 201 CD LYS A 550 2.929 -6.845 0.312 1.00 0.00 C ATOM 202 CE LYS A 550 3.068 -6.449 1.776 1.00 0.00 C ATOM 203 NZ LYS A 550 3.819 -7.469 2.560 1.00 0.00 N ATOM 0 H LYS A 550 3.178 -2.749 -2.167 1.00 0.00 H new ATOM 0 HA LYS A 550 5.322 -3.552 -0.519 1.00 0.00 H new ATOM 0 HB2 LYS A 550 3.122 -4.322 -0.078 1.00 0.00 H new ATOM 0 HB3 LYS A 550 2.875 -4.846 -1.732 1.00 0.00 H new ATOM 0 HG2 LYS A 550 4.176 -6.800 -1.440 1.00 0.00 H new ATOM 0 HG3 LYS A 550 4.953 -6.184 0.006 1.00 0.00 H new ATOM 0 HD2 LYS A 550 1.948 -6.546 -0.056 1.00 0.00 H new ATOM 0 HD3 LYS A 550 2.987 -7.930 0.220 1.00 0.00 H new ATOM 0 HE2 LYS A 550 3.580 -5.489 1.845 1.00 0.00 H new ATOM 0 HE3 LYS A 550 2.078 -6.314 2.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 550 4.098 -7.066 3.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 550 3.215 -8.301 2.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 550 4.670 -7.754 2.034 1.00 0.00 H new ATOM 217 N SER A 551 5.334 -4.834 -3.546 1.00 0.00 N ATOM 218 CA SER A 551 6.172 -5.505 -4.527 1.00 0.00 C ATOM 219 C SER A 551 7.401 -4.662 -4.862 1.00 0.00 C ATOM 220 O SER A 551 8.480 -5.197 -5.071 1.00 0.00 O ATOM 221 CB SER A 551 5.370 -5.792 -5.800 1.00 0.00 C ATOM 222 OG SER A 551 6.073 -6.652 -6.683 1.00 0.00 O ATOM 0 H SER A 551 4.420 -4.553 -3.900 1.00 0.00 H new ATOM 0 HA SER A 551 6.509 -6.448 -4.098 1.00 0.00 H new ATOM 0 HB2 SER A 551 4.416 -6.246 -5.534 1.00 0.00 H new ATOM 0 HB3 SER A 551 5.146 -4.854 -6.308 1.00 0.00 H new ATOM 0 HG SER A 551 5.530 -6.814 -7.483 1.00 0.00 H new ATOM 228 N ALA A 552 7.226 -3.348 -4.915 1.00 0.00 N ATOM 229 CA ALA A 552 8.314 -2.443 -5.277 1.00 0.00 C ATOM 230 C ALA A 552 9.432 -2.454 -4.237 1.00 0.00 C ATOM 231 O ALA A 552 10.604 -2.554 -4.579 1.00 0.00 O ATOM 232 CB ALA A 552 7.784 -1.031 -5.470 1.00 0.00 C ATOM 0 H ALA A 552 6.341 -2.883 -4.712 1.00 0.00 H new ATOM 0 HA ALA A 552 8.737 -2.797 -6.217 1.00 0.00 H new ATOM 0 HB1 ALA A 552 8.606 -0.368 -5.739 1.00 0.00 H new ATOM 0 HB2 ALA A 552 7.039 -1.028 -6.266 1.00 0.00 H new ATOM 0 HB3 ALA A 552 7.327 -0.684 -4.543 1.00 0.00 H new ATOM 238 N VAL A 553 9.071 -2.378 -2.967 1.00 0.00 N ATOM 239 CA VAL A 553 10.070 -2.350 -1.902 1.00 0.00 C ATOM 240 C VAL A 553 10.660 -3.733 -1.668 1.00 0.00 C ATOM 241 O VAL A 553 11.815 -3.885 -1.268 1.00 0.00 O ATOM 242 CB VAL A 553 9.468 -1.833 -0.591 1.00 0.00 C ATOM 243 CG1 VAL A 553 8.969 -0.419 -0.794 1.00 0.00 C ATOM 244 CG2 VAL A 553 8.343 -2.740 -0.108 1.00 0.00 C ATOM 0 H VAL A 553 8.104 -2.335 -2.646 1.00 0.00 H new ATOM 0 HA VAL A 553 10.861 -1.672 -2.223 1.00 0.00 H new ATOM 0 HB VAL A 553 10.240 -1.835 0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 553 8.540 -0.047 0.137 1.00 0.00 H new ATOM 0 HG12 VAL A 553 9.800 0.221 -1.091 1.00 0.00 H new ATOM 0 HG13 VAL A 553 8.207 -0.410 -1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 553 7.935 -2.349 0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 553 7.556 -2.777 -0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 553 8.732 -3.744 0.060 1.00 0.00 H new ATOM 254 N GLU A 554 9.836 -4.738 -1.886 1.00 0.00 N ATOM 255 CA GLU A 554 10.242 -6.119 -1.742 1.00 0.00 C ATOM 256 C GLU A 554 10.812 -6.684 -3.039 1.00 0.00 C ATOM 257 O GLU A 554 11.120 -7.874 -3.133 1.00 0.00 O ATOM 258 CB GLU A 554 9.044 -6.924 -1.272 1.00 0.00 C ATOM 259 CG GLU A 554 9.167 -7.352 0.168 1.00 0.00 C ATOM 260 CD GLU A 554 10.162 -8.478 0.348 1.00 0.00 C ATOM 261 OE1 GLU A 554 11.370 -8.186 0.478 1.00 0.00 O ATOM 262 OE2 GLU A 554 9.748 -9.653 0.355 1.00 0.00 O ATOM 0 H GLU A 554 8.863 -4.618 -2.169 1.00 0.00 H new ATOM 0 HA GLU A 554 11.043 -6.181 -1.005 1.00 0.00 H new ATOM 0 HB2 GLU A 554 8.139 -6.329 -1.395 1.00 0.00 H new ATOM 0 HB3 GLU A 554 8.933 -7.807 -1.902 1.00 0.00 H new ATOM 0 HG2 GLU A 554 9.473 -6.499 0.774 1.00 0.00 H new ATOM 0 HG3 GLU A 554 8.191 -7.670 0.535 1.00 0.00 H new ATOM 269 N ASP A 555 10.938 -5.830 -4.037 1.00 0.00 N ATOM 270 CA ASP A 555 11.501 -6.218 -5.322 1.00 0.00 C ATOM 271 C ASP A 555 12.990 -6.498 -5.182 1.00 0.00 C ATOM 272 O ASP A 555 13.714 -5.746 -4.532 1.00 0.00 O ATOM 273 CB ASP A 555 11.275 -5.111 -6.353 1.00 0.00 C ATOM 274 CG ASP A 555 11.723 -5.508 -7.742 1.00 0.00 C ATOM 275 OD1 ASP A 555 12.896 -5.273 -8.077 1.00 0.00 O ATOM 276 OD2 ASP A 555 10.896 -6.062 -8.502 1.00 0.00 O ATOM 0 H ASP A 555 10.655 -4.851 -3.983 1.00 0.00 H new ATOM 0 HA ASP A 555 11.001 -7.126 -5.661 1.00 0.00 H new ATOM 0 HB2 ASP A 555 10.216 -4.853 -6.377 1.00 0.00 H new ATOM 0 HB3 ASP A 555 11.815 -4.216 -6.043 1.00 0.00 H new ATOM 281 N GLU A 556 13.438 -7.583 -5.794 1.00 0.00 N ATOM 282 CA GLU A 556 14.827 -8.016 -5.687 1.00 0.00 C ATOM 283 C GLU A 556 15.784 -7.078 -6.422 1.00 0.00 C ATOM 284 O GLU A 556 17.002 -7.203 -6.290 1.00 0.00 O ATOM 285 CB GLU A 556 14.984 -9.435 -6.218 1.00 0.00 C ATOM 286 CG GLU A 556 14.318 -9.649 -7.568 1.00 0.00 C ATOM 287 CD GLU A 556 14.692 -10.969 -8.209 1.00 0.00 C ATOM 288 OE1 GLU A 556 14.262 -12.027 -7.707 1.00 0.00 O ATOM 289 OE2 GLU A 556 15.410 -10.949 -9.229 1.00 0.00 O ATOM 0 H GLU A 556 12.856 -8.186 -6.375 1.00 0.00 H new ATOM 0 HA GLU A 556 15.088 -7.991 -4.629 1.00 0.00 H new ATOM 0 HB2 GLU A 556 16.045 -9.668 -6.303 1.00 0.00 H new ATOM 0 HB3 GLU A 556 14.561 -10.134 -5.497 1.00 0.00 H new ATOM 0 HG2 GLU A 556 13.236 -9.605 -7.444 1.00 0.00 H new ATOM 0 HG3 GLU A 556 14.596 -8.835 -8.237 1.00 0.00 H new ATOM 296 N GLY A 557 15.243 -6.157 -7.204 1.00 0.00 N ATOM 297 CA GLY A 557 16.072 -5.179 -7.876 1.00 0.00 C ATOM 298 C GLY A 557 16.037 -3.846 -7.165 1.00 0.00 C ATOM 299 O GLY A 557 17.021 -3.105 -7.154 1.00 0.00 O ATOM 0 H GLY A 557 14.243 -6.069 -7.386 1.00 0.00 H new ATOM 0 HA2 GLY A 557 17.099 -5.541 -7.923 1.00 0.00 H new ATOM 0 HA3 GLY A 557 15.730 -5.054 -8.903 1.00 0.00 H new ATOM 303 N LEU A 558 14.898 -3.546 -6.557 1.00 0.00 N ATOM 304 CA LEU A 558 14.728 -2.306 -5.816 1.00 0.00 C ATOM 305 C LEU A 558 15.178 -2.446 -4.369 1.00 0.00 C ATOM 306 O LEU A 558 15.162 -1.476 -3.609 1.00 0.00 O ATOM 307 CB LEU A 558 13.281 -1.845 -5.872 1.00 0.00 C ATOM 308 CG LEU A 558 12.915 -1.040 -7.116 1.00 0.00 C ATOM 309 CD1 LEU A 558 11.409 -0.992 -7.287 1.00 0.00 C ATOM 310 CD2 LEU A 558 13.481 0.369 -7.021 1.00 0.00 C ATOM 0 H LEU A 558 14.075 -4.148 -6.563 1.00 0.00 H new ATOM 0 HA LEU A 558 15.360 -1.555 -6.290 1.00 0.00 H new ATOM 0 HB2 LEU A 558 12.633 -2.720 -5.819 1.00 0.00 H new ATOM 0 HB3 LEU A 558 13.073 -1.240 -4.990 1.00 0.00 H new ATOM 0 HG LEU A 558 13.349 -1.530 -7.987 1.00 0.00 H new ATOM 0 HD11 LEU A 558 11.162 -0.415 -8.178 1.00 0.00 H new ATOM 0 HD12 LEU A 558 11.022 -2.006 -7.393 1.00 0.00 H new ATOM 0 HD13 LEU A 558 10.958 -0.521 -6.413 1.00 0.00 H new ATOM 0 HD21 LEU A 558 13.211 0.930 -7.916 1.00 0.00 H new ATOM 0 HD22 LEU A 558 13.071 0.867 -6.143 1.00 0.00 H new ATOM 0 HD23 LEU A 558 14.567 0.320 -6.937 1.00 0.00 H new ATOM 322 N LYS A 559 15.577 -3.647 -3.977 1.00 0.00 N ATOM 323 CA LYS A 559 16.141 -3.839 -2.654 1.00 0.00 C ATOM 324 C LYS A 559 17.502 -3.155 -2.586 1.00 0.00 C ATOM 325 O LYS A 559 18.341 -3.325 -3.475 1.00 0.00 O ATOM 326 CB LYS A 559 16.250 -5.329 -2.292 1.00 0.00 C ATOM 327 CG LYS A 559 17.090 -6.162 -3.249 1.00 0.00 C ATOM 328 CD LYS A 559 17.338 -7.554 -2.694 1.00 0.00 C ATOM 329 CE LYS A 559 18.201 -8.382 -3.631 1.00 0.00 C ATOM 330 NZ LYS A 559 19.547 -7.778 -3.829 1.00 0.00 N ATOM 0 H LYS A 559 15.521 -4.490 -4.548 1.00 0.00 H new ATOM 0 HA LYS A 559 15.473 -3.388 -1.920 1.00 0.00 H new ATOM 0 HB2 LYS A 559 16.674 -5.415 -1.291 1.00 0.00 H new ATOM 0 HB3 LYS A 559 15.246 -5.752 -2.250 1.00 0.00 H new ATOM 0 HG2 LYS A 559 16.583 -6.236 -4.211 1.00 0.00 H new ATOM 0 HG3 LYS A 559 18.043 -5.664 -3.428 1.00 0.00 H new ATOM 0 HD2 LYS A 559 17.825 -7.478 -1.722 1.00 0.00 H new ATOM 0 HD3 LYS A 559 16.385 -8.058 -2.535 1.00 0.00 H new ATOM 0 HE2 LYS A 559 18.311 -9.389 -3.228 1.00 0.00 H new ATOM 0 HE3 LYS A 559 17.701 -8.478 -4.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 559 20.179 -8.475 -4.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 559 19.466 -6.944 -4.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 559 19.938 -7.492 -2.909 1.00 0.00 H new ATOM 344 N GLY A 560 17.704 -2.356 -1.553 1.00 0.00 N ATOM 345 CA GLY A 560 18.905 -1.552 -1.464 1.00 0.00 C ATOM 346 C GLY A 560 18.679 -0.146 -1.982 1.00 0.00 C ATOM 347 O GLY A 560 19.338 0.799 -1.549 1.00 0.00 O ATOM 0 H GLY A 560 17.057 -2.248 -0.772 1.00 0.00 H new ATOM 0 HA2 GLY A 560 19.238 -1.508 -0.427 1.00 0.00 H new ATOM 0 HA3 GLY A 560 19.703 -2.026 -2.035 1.00 0.00 H new ATOM 351 N LYS A 561 17.739 -0.013 -2.915 1.00 0.00 N ATOM 352 CA LYS A 561 17.349 1.292 -3.443 1.00 0.00 C ATOM 353 C LYS A 561 16.613 2.065 -2.361 1.00 0.00 C ATOM 354 O LYS A 561 16.812 3.265 -2.178 1.00 0.00 O ATOM 355 CB LYS A 561 16.427 1.131 -4.655 1.00 0.00 C ATOM 356 CG LYS A 561 16.998 0.278 -5.778 1.00 0.00 C ATOM 357 CD LYS A 561 17.840 1.087 -6.739 1.00 0.00 C ATOM 358 CE LYS A 561 18.476 0.183 -7.775 1.00 0.00 C ATOM 359 NZ LYS A 561 19.198 0.946 -8.826 1.00 0.00 N ATOM 0 H LYS A 561 17.231 -0.798 -3.323 1.00 0.00 H new ATOM 0 HA LYS A 561 18.246 1.828 -3.752 1.00 0.00 H new ATOM 0 HB2 LYS A 561 15.487 0.690 -4.324 1.00 0.00 H new ATOM 0 HB3 LYS A 561 16.193 2.119 -5.051 1.00 0.00 H new ATOM 0 HG2 LYS A 561 17.603 -0.522 -5.352 1.00 0.00 H new ATOM 0 HG3 LYS A 561 16.182 -0.196 -6.323 1.00 0.00 H new ATOM 0 HD2 LYS A 561 17.221 1.837 -7.232 1.00 0.00 H new ATOM 0 HD3 LYS A 561 18.614 1.624 -6.191 1.00 0.00 H new ATOM 0 HE2 LYS A 561 19.170 -0.498 -7.282 1.00 0.00 H new ATOM 0 HE3 LYS A 561 17.705 -0.431 -8.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 19.615 0.284 -9.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 18.532 1.577 -9.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 19.952 1.512 -8.388 1.00 0.00 H new ATOM 373 N ILE A 562 15.763 1.350 -1.647 1.00 0.00 N ATOM 374 CA ILE A 562 14.982 1.926 -0.572 1.00 0.00 C ATOM 375 C ILE A 562 15.537 1.473 0.776 1.00 0.00 C ATOM 376 O ILE A 562 16.096 0.378 0.890 1.00 0.00 O ATOM 377 CB ILE A 562 13.503 1.516 -0.699 1.00 0.00 C ATOM 378 CG1 ILE A 562 12.642 2.336 0.245 1.00 0.00 C ATOM 379 CG2 ILE A 562 13.314 0.032 -0.422 1.00 0.00 C ATOM 380 CD1 ILE A 562 11.217 1.861 0.291 1.00 0.00 C ATOM 0 H ILE A 562 15.596 0.355 -1.797 1.00 0.00 H new ATOM 0 HA ILE A 562 15.047 3.012 -0.638 1.00 0.00 H new ATOM 0 HB ILE A 562 13.192 1.712 -1.725 1.00 0.00 H new ATOM 0 HG12 ILE A 562 13.067 2.293 1.248 1.00 0.00 H new ATOM 0 HG13 ILE A 562 12.663 3.381 -0.066 1.00 0.00 H new ATOM 0 HG21 ILE A 562 12.259 -0.225 -0.520 1.00 0.00 H new ATOM 0 HG22 ILE A 562 13.897 -0.549 -1.137 1.00 0.00 H new ATOM 0 HG23 ILE A 562 13.650 -0.195 0.590 1.00 0.00 H new ATOM 0 HD11 ILE A 562 10.648 2.484 0.982 1.00 0.00 H new ATOM 0 HD12 ILE A 562 10.778 1.929 -0.705 1.00 0.00 H new ATOM 0 HD13 ILE A 562 11.189 0.825 0.629 1.00 0.00 H new ATOM 392 N SER A 563 15.404 2.317 1.792 1.00 0.00 N ATOM 393 CA SER A 563 15.892 1.985 3.114 1.00 0.00 C ATOM 394 C SER A 563 14.973 0.957 3.763 1.00 0.00 C ATOM 395 O SER A 563 13.769 0.948 3.483 1.00 0.00 O ATOM 396 CB SER A 563 15.986 3.241 3.979 1.00 0.00 C ATOM 397 OG SER A 563 16.707 4.266 3.312 1.00 0.00 O ATOM 0 H SER A 563 14.962 3.234 1.721 1.00 0.00 H new ATOM 0 HA SER A 563 16.890 1.557 3.024 1.00 0.00 H new ATOM 0 HB2 SER A 563 14.984 3.595 4.222 1.00 0.00 H new ATOM 0 HB3 SER A 563 16.477 3.001 4.922 1.00 0.00 H new ATOM 0 HG SER A 563 16.752 5.060 3.885 1.00 0.00 H new ATOM 403 N GLU A 564 15.521 0.094 4.609 1.00 0.00 N ATOM 404 CA GLU A 564 14.738 -0.985 5.191 1.00 0.00 C ATOM 405 C GLU A 564 13.494 -0.458 5.900 1.00 0.00 C ATOM 406 O GLU A 564 12.417 -1.027 5.770 1.00 0.00 O ATOM 407 CB GLU A 564 15.604 -1.849 6.116 1.00 0.00 C ATOM 408 CG GLU A 564 16.569 -1.083 7.012 1.00 0.00 C ATOM 409 CD GLU A 564 15.897 -0.368 8.162 1.00 0.00 C ATOM 410 OE1 GLU A 564 15.281 -1.045 9.014 1.00 0.00 O ATOM 411 OE2 GLU A 564 15.978 0.879 8.214 1.00 0.00 O ATOM 0 H GLU A 564 16.497 0.120 4.905 1.00 0.00 H new ATOM 0 HA GLU A 564 14.388 -1.622 4.379 1.00 0.00 H new ATOM 0 HB2 GLU A 564 14.947 -2.447 6.747 1.00 0.00 H new ATOM 0 HB3 GLU A 564 16.178 -2.544 5.503 1.00 0.00 H new ATOM 0 HG2 GLU A 564 17.309 -1.777 7.411 1.00 0.00 H new ATOM 0 HG3 GLU A 564 17.109 -0.353 6.409 1.00 0.00 H new ATOM 418 N ALA A 565 13.642 0.654 6.600 1.00 0.00 N ATOM 419 CA ALA A 565 12.541 1.252 7.343 1.00 0.00 C ATOM 420 C ALA A 565 11.366 1.605 6.436 1.00 0.00 C ATOM 421 O ALA A 565 10.214 1.336 6.776 1.00 0.00 O ATOM 422 CB ALA A 565 13.021 2.489 8.077 1.00 0.00 C ATOM 0 H ALA A 565 14.521 1.166 6.671 1.00 0.00 H new ATOM 0 HA ALA A 565 12.190 0.513 8.063 1.00 0.00 H new ATOM 0 HB1 ALA A 565 12.191 2.929 8.630 1.00 0.00 H new ATOM 0 HB2 ALA A 565 13.815 2.215 8.772 1.00 0.00 H new ATOM 0 HB3 ALA A 565 13.403 3.214 7.358 1.00 0.00 H new ATOM 428 N ASP A 566 11.657 2.184 5.276 1.00 0.00 N ATOM 429 CA ASP A 566 10.610 2.565 4.331 1.00 0.00 C ATOM 430 C ASP A 566 9.963 1.323 3.748 1.00 0.00 C ATOM 431 O ASP A 566 8.741 1.214 3.693 1.00 0.00 O ATOM 432 CB ASP A 566 11.175 3.426 3.201 1.00 0.00 C ATOM 433 CG ASP A 566 11.832 4.696 3.702 1.00 0.00 C ATOM 434 OD1 ASP A 566 11.105 5.637 4.084 1.00 0.00 O ATOM 435 OD2 ASP A 566 13.077 4.754 3.727 1.00 0.00 O ATOM 0 H ASP A 566 12.605 2.400 4.967 1.00 0.00 H new ATOM 0 HA ASP A 566 9.864 3.149 4.870 1.00 0.00 H new ATOM 0 HB2 ASP A 566 11.903 2.844 2.637 1.00 0.00 H new ATOM 0 HB3 ASP A 566 10.371 3.686 2.512 1.00 0.00 H new ATOM 440 N LYS A 567 10.807 0.388 3.330 1.00 0.00 N ATOM 441 CA LYS A 567 10.366 -0.908 2.834 1.00 0.00 C ATOM 442 C LYS A 567 9.456 -1.596 3.855 1.00 0.00 C ATOM 443 O LYS A 567 8.373 -2.067 3.521 1.00 0.00 O ATOM 444 CB LYS A 567 11.608 -1.764 2.585 1.00 0.00 C ATOM 445 CG LYS A 567 11.332 -3.188 2.152 1.00 0.00 C ATOM 446 CD LYS A 567 12.515 -4.086 2.480 1.00 0.00 C ATOM 447 CE LYS A 567 12.244 -5.525 2.087 1.00 0.00 C ATOM 448 NZ LYS A 567 12.514 -5.774 0.646 1.00 0.00 N ATOM 0 H LYS A 567 11.820 0.508 3.326 1.00 0.00 H new ATOM 0 HA LYS A 567 9.798 -0.778 1.913 1.00 0.00 H new ATOM 0 HB2 LYS A 567 12.216 -1.280 1.821 1.00 0.00 H new ATOM 0 HB3 LYS A 567 12.203 -1.787 3.498 1.00 0.00 H new ATOM 0 HG2 LYS A 567 10.437 -3.559 2.652 1.00 0.00 H new ATOM 0 HG3 LYS A 567 11.133 -3.216 1.081 1.00 0.00 H new ATOM 0 HD2 LYS A 567 13.402 -3.726 1.959 1.00 0.00 H new ATOM 0 HD3 LYS A 567 12.729 -4.033 3.548 1.00 0.00 H new ATOM 0 HE2 LYS A 567 12.864 -6.188 2.691 1.00 0.00 H new ATOM 0 HE3 LYS A 567 11.205 -5.771 2.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 12.055 -6.661 0.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 12.136 -4.987 0.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 13.540 -5.849 0.493 1.00 0.00 H new ATOM 462 N LYS A 568 9.901 -1.614 5.102 1.00 0.00 N ATOM 463 CA LYS A 568 9.170 -2.258 6.187 1.00 0.00 C ATOM 464 C LYS A 568 7.840 -1.570 6.464 1.00 0.00 C ATOM 465 O LYS A 568 6.812 -2.234 6.600 1.00 0.00 O ATOM 466 CB LYS A 568 10.023 -2.263 7.454 1.00 0.00 C ATOM 467 CG LYS A 568 11.101 -3.335 7.455 1.00 0.00 C ATOM 468 CD LYS A 568 12.332 -2.902 8.240 1.00 0.00 C ATOM 469 CE LYS A 568 11.990 -2.435 9.646 1.00 0.00 C ATOM 470 NZ LYS A 568 13.204 -2.014 10.395 1.00 0.00 N ATOM 0 H LYS A 568 10.779 -1.183 5.392 1.00 0.00 H new ATOM 0 HA LYS A 568 8.956 -3.282 5.880 1.00 0.00 H new ATOM 0 HB2 LYS A 568 10.493 -1.286 7.570 1.00 0.00 H new ATOM 0 HB3 LYS A 568 9.375 -2.410 8.318 1.00 0.00 H new ATOM 0 HG2 LYS A 568 10.700 -4.253 7.886 1.00 0.00 H new ATOM 0 HG3 LYS A 568 11.387 -3.563 6.428 1.00 0.00 H new ATOM 0 HD2 LYS A 568 13.034 -3.734 8.297 1.00 0.00 H new ATOM 0 HD3 LYS A 568 12.835 -2.097 7.705 1.00 0.00 H new ATOM 0 HE2 LYS A 568 11.288 -1.603 9.593 1.00 0.00 H new ATOM 0 HE3 LYS A 568 11.490 -3.239 10.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 12.925 -1.429 11.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 13.713 -2.856 10.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 13.824 -1.462 9.769 1.00 0.00 H new ATOM 484 N LYS A 569 7.858 -0.242 6.545 1.00 0.00 N ATOM 485 CA LYS A 569 6.661 0.507 6.899 1.00 0.00 C ATOM 486 C LYS A 569 5.588 0.334 5.829 1.00 0.00 C ATOM 487 O LYS A 569 4.422 0.093 6.145 1.00 0.00 O ATOM 488 CB LYS A 569 6.986 2.000 7.112 1.00 0.00 C ATOM 489 CG LYS A 569 7.163 2.799 5.828 1.00 0.00 C ATOM 490 CD LYS A 569 7.570 4.243 6.095 1.00 0.00 C ATOM 491 CE LYS A 569 6.373 5.141 6.395 1.00 0.00 C ATOM 492 NZ LYS A 569 5.833 4.948 7.768 1.00 0.00 N ATOM 0 H LYS A 569 8.683 0.332 6.371 1.00 0.00 H new ATOM 0 HA LYS A 569 6.277 0.111 7.839 1.00 0.00 H new ATOM 0 HB2 LYS A 569 6.186 2.452 7.699 1.00 0.00 H new ATOM 0 HB3 LYS A 569 7.899 2.079 7.703 1.00 0.00 H new ATOM 0 HG2 LYS A 569 7.919 2.320 5.206 1.00 0.00 H new ATOM 0 HG3 LYS A 569 6.231 2.785 5.263 1.00 0.00 H new ATOM 0 HD2 LYS A 569 8.262 4.272 6.936 1.00 0.00 H new ATOM 0 HD3 LYS A 569 8.105 4.633 5.229 1.00 0.00 H new ATOM 0 HE2 LYS A 569 6.667 6.183 6.269 1.00 0.00 H new ATOM 0 HE3 LYS A 569 5.585 4.942 5.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 569 5.619 5.874 8.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 569 4.964 4.379 7.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 569 6.538 4.456 8.352 1.00 0.00 H new ATOM 506 N VAL A 570 5.990 0.440 4.565 1.00 0.00 N ATOM 507 CA VAL A 570 5.052 0.338 3.465 1.00 0.00 C ATOM 508 C VAL A 570 4.540 -1.095 3.312 1.00 0.00 C ATOM 509 O VAL A 570 3.352 -1.296 3.114 1.00 0.00 O ATOM 510 CB VAL A 570 5.647 0.865 2.138 1.00 0.00 C ATOM 511 CG1 VAL A 570 6.790 -0.003 1.663 1.00 0.00 C ATOM 512 CG2 VAL A 570 4.568 0.970 1.072 1.00 0.00 C ATOM 0 H VAL A 570 6.958 0.596 4.284 1.00 0.00 H new ATOM 0 HA VAL A 570 4.204 0.978 3.707 1.00 0.00 H new ATOM 0 HB VAL A 570 6.046 1.862 2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 570 7.185 0.395 0.728 1.00 0.00 H new ATOM 0 HG12 VAL A 570 7.578 -0.011 2.416 1.00 0.00 H new ATOM 0 HG13 VAL A 570 6.432 -1.020 1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 570 5.006 1.342 0.146 1.00 0.00 H new ATOM 0 HG22 VAL A 570 4.132 -0.014 0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 570 3.791 1.657 1.407 1.00 0.00 H new ATOM 522 N LEU A 571 5.425 -2.090 3.433 1.00 0.00 N ATOM 523 CA LEU A 571 5.008 -3.493 3.363 1.00 0.00 C ATOM 524 C LEU A 571 3.957 -3.783 4.424 1.00 0.00 C ATOM 525 O LEU A 571 2.911 -4.370 4.140 1.00 0.00 O ATOM 526 CB LEU A 571 6.195 -4.442 3.584 1.00 0.00 C ATOM 527 CG LEU A 571 7.173 -4.607 2.425 1.00 0.00 C ATOM 528 CD1 LEU A 571 8.494 -5.160 2.937 1.00 0.00 C ATOM 529 CD2 LEU A 571 6.605 -5.544 1.375 1.00 0.00 C ATOM 0 H LEU A 571 6.425 -1.952 3.578 1.00 0.00 H new ATOM 0 HA LEU A 571 4.597 -3.660 2.367 1.00 0.00 H new ATOM 0 HB2 LEU A 571 6.753 -4.090 4.451 1.00 0.00 H new ATOM 0 HB3 LEU A 571 5.800 -5.426 3.837 1.00 0.00 H new ATOM 0 HG LEU A 571 7.337 -3.629 1.972 1.00 0.00 H new ATOM 0 HD11 LEU A 571 9.187 -5.275 2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 571 8.917 -4.472 3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 571 8.325 -6.130 3.406 1.00 0.00 H new ATOM 0 HD21 LEU A 571 7.318 -5.648 0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 571 6.419 -6.521 1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 571 5.670 -5.137 0.992 1.00 0.00 H new ATOM 541 N ASP A 572 4.249 -3.361 5.647 1.00 0.00 N ATOM 542 CA ASP A 572 3.352 -3.571 6.774 1.00 0.00 C ATOM 543 C ASP A 572 2.021 -2.872 6.537 1.00 0.00 C ATOM 544 O ASP A 572 0.953 -3.442 6.747 1.00 0.00 O ATOM 545 CB ASP A 572 3.984 -3.035 8.057 1.00 0.00 C ATOM 546 CG ASP A 572 3.152 -3.357 9.278 1.00 0.00 C ATOM 547 OD1 ASP A 572 3.247 -4.494 9.785 1.00 0.00 O ATOM 548 OD2 ASP A 572 2.395 -2.472 9.735 1.00 0.00 O ATOM 0 H ASP A 572 5.109 -2.867 5.884 1.00 0.00 H new ATOM 0 HA ASP A 572 3.178 -4.642 6.875 1.00 0.00 H new ATOM 0 HB2 ASP A 572 4.980 -3.461 8.175 1.00 0.00 H new ATOM 0 HB3 ASP A 572 4.106 -1.955 7.977 1.00 0.00 H new ATOM 553 N LYS A 573 2.104 -1.633 6.080 1.00 0.00 N ATOM 554 CA LYS A 573 0.928 -0.835 5.792 1.00 0.00 C ATOM 555 C LYS A 573 0.136 -1.437 4.633 1.00 0.00 C ATOM 556 O LYS A 573 -1.093 -1.488 4.672 1.00 0.00 O ATOM 557 CB LYS A 573 1.363 0.597 5.489 1.00 0.00 C ATOM 558 CG LYS A 573 0.300 1.460 4.840 1.00 0.00 C ATOM 559 CD LYS A 573 -0.972 1.514 5.644 1.00 0.00 C ATOM 560 CE LYS A 573 -1.965 2.462 5.017 1.00 0.00 C ATOM 561 NZ LYS A 573 -3.235 2.507 5.791 1.00 0.00 N ATOM 0 H LYS A 573 2.987 -1.155 5.899 1.00 0.00 H new ATOM 0 HA LYS A 573 0.268 -0.827 6.659 1.00 0.00 H new ATOM 0 HB2 LYS A 573 1.678 1.071 6.419 1.00 0.00 H new ATOM 0 HB3 LYS A 573 2.235 0.566 4.836 1.00 0.00 H new ATOM 0 HG2 LYS A 573 0.687 2.471 4.711 1.00 0.00 H new ATOM 0 HG3 LYS A 573 0.080 1.073 3.845 1.00 0.00 H new ATOM 0 HD2 LYS A 573 -1.407 0.517 5.711 1.00 0.00 H new ATOM 0 HD3 LYS A 573 -0.750 1.834 6.662 1.00 0.00 H new ATOM 0 HE2 LYS A 573 -1.533 3.461 4.965 1.00 0.00 H new ATOM 0 HE3 LYS A 573 -2.172 2.150 3.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 573 -4.024 2.730 5.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 573 -3.402 1.583 6.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 573 -3.168 3.240 6.526 1.00 0.00 H new ATOM 575 N CYS A 574 0.845 -1.896 3.612 1.00 0.00 N ATOM 576 CA CYS A 574 0.221 -2.580 2.491 1.00 0.00 C ATOM 577 C CYS A 574 -0.524 -3.822 2.972 1.00 0.00 C ATOM 578 O CYS A 574 -1.614 -4.124 2.499 1.00 0.00 O ATOM 579 CB CYS A 574 1.269 -2.953 1.440 1.00 0.00 C ATOM 580 SG CYS A 574 1.914 -1.544 0.510 1.00 0.00 S ATOM 0 H CYS A 574 1.858 -1.806 3.538 1.00 0.00 H new ATOM 0 HA CYS A 574 -0.500 -1.904 2.031 1.00 0.00 H new ATOM 0 HB2 CYS A 574 2.099 -3.460 1.933 1.00 0.00 H new ATOM 0 HB3 CYS A 574 0.830 -3.666 0.742 1.00 0.00 H new ATOM 0 HG CYS A 574 1.728 -1.741 -0.761 1.00 0.00 H new ATOM 586 N GLN A 575 0.069 -4.525 3.927 1.00 0.00 N ATOM 587 CA GLN A 575 -0.564 -5.690 4.527 1.00 0.00 C ATOM 588 C GLN A 575 -1.819 -5.292 5.298 1.00 0.00 C ATOM 589 O GLN A 575 -2.807 -6.025 5.307 1.00 0.00 O ATOM 590 CB GLN A 575 0.416 -6.396 5.460 1.00 0.00 C ATOM 591 CG GLN A 575 0.746 -7.809 5.032 1.00 0.00 C ATOM 592 CD GLN A 575 -0.471 -8.714 5.062 1.00 0.00 C ATOM 593 OE1 GLN A 575 -0.787 -9.308 6.089 1.00 0.00 O ATOM 594 NE2 GLN A 575 -1.148 -8.844 3.932 1.00 0.00 N ATOM 0 H GLN A 575 0.991 -4.307 4.304 1.00 0.00 H new ATOM 0 HA GLN A 575 -0.853 -6.371 3.726 1.00 0.00 H new ATOM 0 HB2 GLN A 575 1.337 -5.816 5.512 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -0.004 -6.418 6.466 1.00 0.00 H new ATOM 0 HG2 GLN A 575 1.161 -7.794 4.024 1.00 0.00 H new ATOM 0 HG3 GLN A 575 1.516 -8.216 5.688 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -0.854 -8.333 3.100 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -1.964 -9.455 3.894 1.00 0.00 H new ATOM 603 N GLU A 576 -1.770 -4.132 5.948 1.00 0.00 N ATOM 604 CA GLU A 576 -2.922 -3.609 6.673 1.00 0.00 C ATOM 605 C GLU A 576 -4.096 -3.407 5.727 1.00 0.00 C ATOM 606 O GLU A 576 -5.175 -3.965 5.928 1.00 0.00 O ATOM 607 CB GLU A 576 -2.569 -2.283 7.346 1.00 0.00 C ATOM 608 CG GLU A 576 -3.766 -1.570 7.957 1.00 0.00 C ATOM 609 CD GLU A 576 -3.827 -0.109 7.565 1.00 0.00 C ATOM 610 OE1 GLU A 576 -4.278 0.193 6.438 1.00 0.00 O ATOM 611 OE2 GLU A 576 -3.409 0.749 8.369 1.00 0.00 O ATOM 0 H GLU A 576 -0.943 -3.536 5.987 1.00 0.00 H new ATOM 0 HA GLU A 576 -3.203 -4.333 7.438 1.00 0.00 H new ATOM 0 HB2 GLU A 576 -1.830 -2.467 8.126 1.00 0.00 H new ATOM 0 HB3 GLU A 576 -2.102 -1.626 6.612 1.00 0.00 H new ATOM 0 HG2 GLU A 576 -4.683 -2.067 7.640 1.00 0.00 H new ATOM 0 HG3 GLU A 576 -3.719 -1.651 9.043 1.00 0.00 H new ATOM 618 N VAL A 577 -3.869 -2.625 4.684 1.00 0.00 N ATOM 619 CA VAL A 577 -4.911 -2.324 3.720 1.00 0.00 C ATOM 620 C VAL A 577 -5.329 -3.567 2.944 1.00 0.00 C ATOM 621 O VAL A 577 -6.509 -3.781 2.726 1.00 0.00 O ATOM 622 CB VAL A 577 -4.507 -1.190 2.751 1.00 0.00 C ATOM 623 CG1 VAL A 577 -3.074 -1.334 2.291 1.00 0.00 C ATOM 624 CG2 VAL A 577 -5.431 -1.159 1.551 1.00 0.00 C ATOM 0 H VAL A 577 -2.970 -2.187 4.484 1.00 0.00 H new ATOM 0 HA VAL A 577 -5.768 -1.972 4.294 1.00 0.00 H new ATOM 0 HB VAL A 577 -4.596 -0.250 3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 577 -2.826 -0.519 1.611 1.00 0.00 H new ATOM 0 HG12 VAL A 577 -2.410 -1.301 3.154 1.00 0.00 H new ATOM 0 HG13 VAL A 577 -2.951 -2.286 1.775 1.00 0.00 H new ATOM 0 HG21 VAL A 577 -5.130 -0.354 0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 577 -5.374 -2.111 1.023 1.00 0.00 H new ATOM 0 HG23 VAL A 577 -6.455 -0.990 1.884 1.00 0.00 H new ATOM 634 N ILE A 578 -4.372 -4.395 2.556 1.00 0.00 N ATOM 635 CA ILE A 578 -4.682 -5.619 1.823 1.00 0.00 C ATOM 636 C ILE A 578 -5.576 -6.546 2.654 1.00 0.00 C ATOM 637 O ILE A 578 -6.513 -7.158 2.129 1.00 0.00 O ATOM 638 CB ILE A 578 -3.392 -6.329 1.352 1.00 0.00 C ATOM 639 CG1 ILE A 578 -2.896 -5.672 0.059 1.00 0.00 C ATOM 640 CG2 ILE A 578 -3.621 -7.820 1.143 1.00 0.00 C ATOM 641 CD1 ILE A 578 -1.497 -6.063 -0.324 1.00 0.00 C ATOM 0 H ILE A 578 -3.379 -4.246 2.734 1.00 0.00 H new ATOM 0 HA ILE A 578 -5.242 -5.346 0.929 1.00 0.00 H new ATOM 0 HB ILE A 578 -2.633 -6.224 2.128 1.00 0.00 H new ATOM 0 HG12 ILE A 578 -3.572 -5.936 -0.754 1.00 0.00 H new ATOM 0 HG13 ILE A 578 -2.942 -4.589 0.172 1.00 0.00 H new ATOM 0 HG21 ILE A 578 -2.694 -8.288 0.812 1.00 0.00 H new ATOM 0 HG22 ILE A 578 -3.942 -8.274 2.081 1.00 0.00 H new ATOM 0 HG23 ILE A 578 -4.392 -7.967 0.386 1.00 0.00 H new ATOM 0 HD11 ILE A 578 -1.218 -5.558 -1.249 1.00 0.00 H new ATOM 0 HD12 ILE A 578 -0.808 -5.774 0.470 1.00 0.00 H new ATOM 0 HD13 ILE A 578 -1.448 -7.142 -0.471 1.00 0.00 H new ATOM 653 N SER A 579 -5.313 -6.610 3.954 1.00 0.00 N ATOM 654 CA SER A 579 -6.160 -7.368 4.869 1.00 0.00 C ATOM 655 C SER A 579 -7.528 -6.695 5.003 1.00 0.00 C ATOM 656 O SER A 579 -8.558 -7.362 5.095 1.00 0.00 O ATOM 657 CB SER A 579 -5.485 -7.473 6.240 1.00 0.00 C ATOM 658 OG SER A 579 -6.223 -8.301 7.123 1.00 0.00 O ATOM 0 H SER A 579 -4.521 -6.147 4.399 1.00 0.00 H new ATOM 0 HA SER A 579 -6.303 -8.372 4.468 1.00 0.00 H new ATOM 0 HB2 SER A 579 -4.478 -7.873 6.121 1.00 0.00 H new ATOM 0 HB3 SER A 579 -5.383 -6.478 6.673 1.00 0.00 H new ATOM 0 HG SER A 579 -5.764 -8.348 7.988 1.00 0.00 H new ATOM 664 N TRP A 580 -7.522 -5.367 4.985 1.00 0.00 N ATOM 665 CA TRP A 580 -8.740 -4.574 5.086 1.00 0.00 C ATOM 666 C TRP A 580 -9.566 -4.727 3.815 1.00 0.00 C ATOM 667 O TRP A 580 -10.788 -4.766 3.855 1.00 0.00 O ATOM 668 CB TRP A 580 -8.375 -3.100 5.323 1.00 0.00 C ATOM 669 CG TRP A 580 -9.544 -2.165 5.316 1.00 0.00 C ATOM 670 CD1 TRP A 580 -10.333 -1.829 6.375 1.00 0.00 C ATOM 671 CD2 TRP A 580 -10.049 -1.434 4.191 1.00 0.00 C ATOM 672 NE1 TRP A 580 -11.301 -0.938 5.977 1.00 0.00 N ATOM 673 CE2 TRP A 580 -11.147 -0.682 4.640 1.00 0.00 C ATOM 674 CE3 TRP A 580 -9.676 -1.348 2.843 1.00 0.00 C ATOM 675 CZ2 TRP A 580 -11.878 0.149 3.792 1.00 0.00 C ATOM 676 CZ3 TRP A 580 -10.401 -0.525 2.003 1.00 0.00 C ATOM 677 CH2 TRP A 580 -11.490 0.214 2.481 1.00 0.00 C ATOM 0 H TRP A 580 -6.672 -4.810 4.900 1.00 0.00 H new ATOM 0 HA TRP A 580 -9.337 -4.927 5.927 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -7.863 -3.015 6.281 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -7.669 -2.785 4.555 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -10.215 -2.207 7.380 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -12.018 -0.533 6.579 1.00 0.00 H new ATOM 0 HE3 TRP A 580 -8.837 -1.915 2.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -12.719 0.720 4.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 -10.124 -0.450 0.962 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -12.036 0.850 1.800 1.00 0.00 H new ATOM 688 N LEU A 581 -8.876 -4.818 2.695 1.00 0.00 N ATOM 689 CA LEU A 581 -9.509 -5.003 1.393 1.00 0.00 C ATOM 690 C LEU A 581 -10.293 -6.299 1.352 1.00 0.00 C ATOM 691 O LEU A 581 -11.439 -6.333 0.918 1.00 0.00 O ATOM 692 CB LEU A 581 -8.450 -5.026 0.300 1.00 0.00 C ATOM 693 CG LEU A 581 -7.733 -3.709 0.071 1.00 0.00 C ATOM 694 CD1 LEU A 581 -6.454 -3.950 -0.697 1.00 0.00 C ATOM 695 CD2 LEU A 581 -8.637 -2.765 -0.678 1.00 0.00 C ATOM 0 H LEU A 581 -7.858 -4.766 2.656 1.00 0.00 H new ATOM 0 HA LEU A 581 -10.194 -4.171 1.229 1.00 0.00 H new ATOM 0 HB2 LEU A 581 -7.710 -5.786 0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 581 -8.921 -5.333 -0.634 1.00 0.00 H new ATOM 0 HG LEU A 581 -7.479 -3.259 1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 581 -5.943 -3.001 -0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 581 -5.808 -4.618 -0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 581 -6.688 -4.405 -1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 581 -8.120 -1.819 -0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 581 -8.905 -3.203 -1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 581 -9.541 -2.588 -0.096 1.00 0.00 H new ATOM 707 N ASP A 582 -9.658 -7.364 1.817 1.00 0.00 N ATOM 708 CA ASP A 582 -10.277 -8.684 1.840 1.00 0.00 C ATOM 709 C ASP A 582 -11.415 -8.723 2.857 1.00 0.00 C ATOM 710 O ASP A 582 -12.313 -9.563 2.776 1.00 0.00 O ATOM 711 CB ASP A 582 -9.230 -9.747 2.182 1.00 0.00 C ATOM 712 CG ASP A 582 -9.756 -11.162 2.039 1.00 0.00 C ATOM 713 OD1 ASP A 582 -10.119 -11.556 0.910 1.00 0.00 O ATOM 714 OD2 ASP A 582 -9.792 -11.894 3.048 1.00 0.00 O ATOM 0 H ASP A 582 -8.708 -7.341 2.186 1.00 0.00 H new ATOM 0 HA ASP A 582 -10.687 -8.893 0.852 1.00 0.00 H new ATOM 0 HB2 ASP A 582 -8.364 -9.619 1.532 1.00 0.00 H new ATOM 0 HB3 ASP A 582 -8.886 -9.595 3.205 1.00 0.00 H new ATOM 719 N ALA A 583 -11.368 -7.798 3.805 1.00 0.00 N ATOM 720 CA ALA A 583 -12.355 -7.726 4.871 1.00 0.00 C ATOM 721 C ALA A 583 -13.506 -6.779 4.517 1.00 0.00 C ATOM 722 O ALA A 583 -14.646 -6.983 4.932 1.00 0.00 O ATOM 723 CB ALA A 583 -11.669 -7.278 6.151 1.00 0.00 C ATOM 0 H ALA A 583 -10.647 -7.079 3.856 1.00 0.00 H new ATOM 0 HA ALA A 583 -12.789 -8.716 5.011 1.00 0.00 H new ATOM 0 HB1 ALA A 583 -12.402 -7.221 6.956 1.00 0.00 H new ATOM 0 HB2 ALA A 583 -10.892 -7.995 6.417 1.00 0.00 H new ATOM 0 HB3 ALA A 583 -11.220 -6.296 5.999 1.00 0.00 H new ATOM 729 N ASN A 584 -13.199 -5.749 3.741 1.00 0.00 N ATOM 730 CA ASN A 584 -14.185 -4.748 3.349 1.00 0.00 C ATOM 731 C ASN A 584 -14.290 -4.654 1.837 1.00 0.00 C ATOM 732 O ASN A 584 -14.086 -3.593 1.254 1.00 0.00 O ATOM 733 CB ASN A 584 -13.835 -3.377 3.938 1.00 0.00 C ATOM 734 CG ASN A 584 -14.109 -3.297 5.427 1.00 0.00 C ATOM 735 OD1 ASN A 584 -13.262 -3.646 6.248 1.00 0.00 O ATOM 736 ND2 ASN A 584 -15.293 -2.824 5.792 1.00 0.00 N ATOM 0 H ASN A 584 -12.265 -5.583 3.366 1.00 0.00 H new ATOM 0 HA ASN A 584 -15.151 -5.061 3.745 1.00 0.00 H new ATOM 0 HB2 ASN A 584 -12.782 -3.164 3.754 1.00 0.00 H new ATOM 0 HB3 ASN A 584 -14.410 -2.607 3.424 1.00 0.00 H new ATOM 0 HD21 ASN A 584 -15.526 -2.740 6.782 1.00 0.00 H new ATOM 0 HD22 ASN A 584 -15.971 -2.544 5.083 1.00 0.00 H new ATOM 743 N THR A 585 -14.629 -5.769 1.202 1.00 0.00 N ATOM 744 CA THR A 585 -14.875 -5.784 -0.233 1.00 0.00 C ATOM 745 C THR A 585 -16.205 -5.100 -0.523 1.00 0.00 C ATOM 746 O THR A 585 -16.524 -4.755 -1.661 1.00 0.00 O ATOM 747 CB THR A 585 -14.903 -7.227 -0.780 1.00 0.00 C ATOM 748 OG1 THR A 585 -15.839 -8.017 -0.036 1.00 0.00 O ATOM 749 CG2 THR A 585 -13.533 -7.867 -0.689 1.00 0.00 C ATOM 0 H THR A 585 -14.740 -6.674 1.659 1.00 0.00 H new ATOM 0 HA THR A 585 -14.064 -5.250 -0.728 1.00 0.00 H new ATOM 0 HB THR A 585 -15.205 -7.183 -1.826 1.00 0.00 H new ATOM 0 HG1 THR A 585 -15.851 -8.930 -0.391 1.00 0.00 H new ATOM 0 HG21 THR A 585 -13.579 -8.883 -1.081 1.00 0.00 H new ATOM 0 HG22 THR A 585 -12.820 -7.285 -1.273 1.00 0.00 H new ATOM 0 HG23 THR A 585 -13.212 -7.894 0.352 1.00 0.00 H new ATOM 757 N LEU A 586 -16.957 -4.892 0.548 1.00 0.00 N ATOM 758 CA LEU A 586 -18.286 -4.315 0.479 1.00 0.00 C ATOM 759 C LEU A 586 -18.223 -2.809 0.690 1.00 0.00 C ATOM 760 O LEU A 586 -19.249 -2.128 0.671 1.00 0.00 O ATOM 761 CB LEU A 586 -19.194 -4.945 1.543 1.00 0.00 C ATOM 762 CG LEU A 586 -19.348 -6.475 1.489 1.00 0.00 C ATOM 763 CD1 LEU A 586 -19.655 -6.937 0.073 1.00 0.00 C ATOM 764 CD2 LEU A 586 -18.109 -7.183 2.030 1.00 0.00 C ATOM 0 H LEU A 586 -16.657 -5.122 1.495 1.00 0.00 H new ATOM 0 HA LEU A 586 -18.697 -4.518 -0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 586 -18.808 -4.675 2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 586 -20.184 -4.498 1.456 1.00 0.00 H new ATOM 0 HG LEU A 586 -20.188 -6.743 2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 586 -19.760 -8.022 0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 586 -20.584 -6.478 -0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 586 -18.842 -6.642 -0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 586 -18.254 -8.262 1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 586 -17.241 -6.903 1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 586 -17.946 -6.890 3.067 1.00 0.00 H new ATOM 776 N ALA A 587 -17.013 -2.297 0.893 1.00 0.00 N ATOM 777 CA ALA A 587 -16.809 -0.872 1.126 1.00 0.00 C ATOM 778 C ALA A 587 -17.152 -0.070 -0.116 1.00 0.00 C ATOM 779 O ALA A 587 -17.083 -0.575 -1.240 1.00 0.00 O ATOM 780 CB ALA A 587 -15.370 -0.600 1.533 1.00 0.00 C ATOM 0 H ALA A 587 -16.156 -2.850 0.901 1.00 0.00 H new ATOM 0 HA ALA A 587 -17.471 -0.565 1.936 1.00 0.00 H new ATOM 0 HB1 ALA A 587 -15.236 0.468 1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 587 -15.142 -1.145 2.449 1.00 0.00 H new ATOM 0 HB3 ALA A 587 -14.699 -0.928 0.739 1.00 0.00 H new ATOM 786 N GLU A 588 -17.537 1.178 0.092 1.00 0.00 N ATOM 787 CA GLU A 588 -17.851 2.069 -1.012 1.00 0.00 C ATOM 788 C GLU A 588 -16.575 2.588 -1.647 1.00 0.00 C ATOM 789 O GLU A 588 -15.493 2.442 -1.077 1.00 0.00 O ATOM 790 CB GLU A 588 -18.710 3.248 -0.549 1.00 0.00 C ATOM 791 CG GLU A 588 -20.181 2.915 -0.330 1.00 0.00 C ATOM 792 CD GLU A 588 -20.397 1.675 0.512 1.00 0.00 C ATOM 793 OE1 GLU A 588 -20.143 1.722 1.732 1.00 0.00 O ATOM 794 OE2 GLU A 588 -20.812 0.640 -0.053 1.00 0.00 O ATOM 0 H GLU A 588 -17.640 1.597 1.016 1.00 0.00 H new ATOM 0 HA GLU A 588 -18.418 1.498 -1.748 1.00 0.00 H new ATOM 0 HB2 GLU A 588 -18.297 3.638 0.381 1.00 0.00 H new ATOM 0 HB3 GLU A 588 -18.638 4.045 -1.289 1.00 0.00 H new ATOM 0 HG2 GLU A 588 -20.670 3.762 0.151 1.00 0.00 H new ATOM 0 HG3 GLU A 588 -20.663 2.777 -1.298 1.00 0.00 H new ATOM 801 N LYS A 589 -16.702 3.210 -2.803 1.00 0.00 N ATOM 802 CA LYS A 589 -15.541 3.647 -3.565 1.00 0.00 C ATOM 803 C LYS A 589 -14.648 4.572 -2.745 1.00 0.00 C ATOM 804 O LYS A 589 -13.430 4.389 -2.687 1.00 0.00 O ATOM 805 CB LYS A 589 -15.991 4.357 -4.845 1.00 0.00 C ATOM 806 CG LYS A 589 -17.058 5.418 -4.629 1.00 0.00 C ATOM 807 CD LYS A 589 -17.463 6.083 -5.932 1.00 0.00 C ATOM 808 CE LYS A 589 -18.200 5.112 -6.837 1.00 0.00 C ATOM 809 NZ LYS A 589 -18.680 5.769 -8.081 1.00 0.00 N ATOM 0 H LYS A 589 -17.599 3.426 -3.239 1.00 0.00 H new ATOM 0 HA LYS A 589 -14.960 2.762 -3.824 1.00 0.00 H new ATOM 0 HB2 LYS A 589 -15.123 4.821 -5.314 1.00 0.00 H new ATOM 0 HB3 LYS A 589 -16.371 3.613 -5.545 1.00 0.00 H new ATOM 0 HG2 LYS A 589 -17.934 4.964 -4.165 1.00 0.00 H new ATOM 0 HG3 LYS A 589 -16.685 6.173 -3.936 1.00 0.00 H new ATOM 0 HD2 LYS A 589 -18.099 6.943 -5.722 1.00 0.00 H new ATOM 0 HD3 LYS A 589 -16.576 6.459 -6.443 1.00 0.00 H new ATOM 0 HE2 LYS A 589 -17.540 4.284 -7.095 1.00 0.00 H new ATOM 0 HE3 LYS A 589 -19.048 4.688 -6.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 -19.178 5.073 -8.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 -19.330 6.543 -7.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 -17.868 6.152 -8.607 1.00 0.00 H new ATOM 823 N ASP A 590 -15.267 5.533 -2.079 1.00 0.00 N ATOM 824 CA ASP A 590 -14.537 6.525 -1.303 1.00 0.00 C ATOM 825 C ASP A 590 -13.846 5.910 -0.086 1.00 0.00 C ATOM 826 O ASP A 590 -12.839 6.445 0.384 1.00 0.00 O ATOM 827 CB ASP A 590 -15.452 7.685 -0.894 1.00 0.00 C ATOM 828 CG ASP A 590 -16.559 7.284 0.059 1.00 0.00 C ATOM 829 OD1 ASP A 590 -17.413 6.459 -0.326 1.00 0.00 O ATOM 830 OD2 ASP A 590 -16.587 7.805 1.192 1.00 0.00 O ATOM 0 H ASP A 590 -16.280 5.648 -2.060 1.00 0.00 H new ATOM 0 HA ASP A 590 -13.752 6.922 -1.947 1.00 0.00 H new ATOM 0 HB2 ASP A 590 -14.849 8.464 -0.428 1.00 0.00 H new ATOM 0 HB3 ASP A 590 -15.896 8.119 -1.790 1.00 0.00 H new ATOM 835 N GLU A 591 -14.360 4.786 0.421 1.00 0.00 N ATOM 836 CA GLU A 591 -13.684 4.083 1.509 1.00 0.00 C ATOM 837 C GLU A 591 -12.311 3.638 1.046 1.00 0.00 C ATOM 838 O GLU A 591 -11.307 3.840 1.739 1.00 0.00 O ATOM 839 CB GLU A 591 -14.470 2.859 1.995 1.00 0.00 C ATOM 840 CG GLU A 591 -15.775 3.194 2.685 1.00 0.00 C ATOM 841 CD GLU A 591 -15.600 4.260 3.745 1.00 0.00 C ATOM 842 OE1 GLU A 591 -15.033 3.952 4.811 1.00 0.00 O ATOM 843 OE2 GLU A 591 -16.015 5.413 3.515 1.00 0.00 O ATOM 0 H GLU A 591 -15.226 4.352 0.101 1.00 0.00 H new ATOM 0 HA GLU A 591 -13.605 4.779 2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -14.678 2.213 1.142 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -13.845 2.289 2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -16.499 3.534 1.945 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -16.185 2.293 3.141 1.00 0.00 H new ATOM 850 N PHE A 592 -12.279 3.046 -0.138 1.00 0.00 N ATOM 851 CA PHE A 592 -11.033 2.628 -0.747 1.00 0.00 C ATOM 852 C PHE A 592 -10.176 3.839 -1.060 1.00 0.00 C ATOM 853 O PHE A 592 -9.003 3.863 -0.743 1.00 0.00 O ATOM 854 CB PHE A 592 -11.288 1.830 -2.025 1.00 0.00 C ATOM 855 CG PHE A 592 -12.043 0.560 -1.799 1.00 0.00 C ATOM 856 CD1 PHE A 592 -11.385 -0.564 -1.353 1.00 0.00 C ATOM 857 CD2 PHE A 592 -13.405 0.490 -2.027 1.00 0.00 C ATOM 858 CE1 PHE A 592 -12.066 -1.744 -1.131 1.00 0.00 C ATOM 859 CE2 PHE A 592 -14.095 -0.686 -1.812 1.00 0.00 C ATOM 860 CZ PHE A 592 -13.426 -1.805 -1.363 1.00 0.00 C ATOM 0 H PHE A 592 -13.109 2.845 -0.696 1.00 0.00 H new ATOM 0 HA PHE A 592 -10.508 1.986 -0.040 1.00 0.00 H new ATOM 0 HB2 PHE A 592 -11.843 2.452 -2.727 1.00 0.00 H new ATOM 0 HB3 PHE A 592 -10.332 1.596 -2.494 1.00 0.00 H new ATOM 0 HD1 PHE A 592 -10.321 -0.522 -1.174 1.00 0.00 H new ATOM 0 HD2 PHE A 592 -13.934 1.364 -2.377 1.00 0.00 H new ATOM 0 HE1 PHE A 592 -11.537 -2.617 -0.777 1.00 0.00 H new ATOM 0 HE2 PHE A 592 -15.158 -0.730 -1.995 1.00 0.00 H new ATOM 0 HZ PHE A 592 -13.964 -2.726 -1.193 1.00 0.00 H new ATOM 870 N GLU A 593 -10.788 4.867 -1.627 1.00 0.00 N ATOM 871 CA GLU A 593 -10.059 6.058 -2.044 1.00 0.00 C ATOM 872 C GLU A 593 -9.327 6.703 -0.867 1.00 0.00 C ATOM 873 O GLU A 593 -8.198 7.177 -1.009 1.00 0.00 O ATOM 874 CB GLU A 593 -11.026 7.051 -2.682 1.00 0.00 C ATOM 875 CG GLU A 593 -11.488 6.627 -4.064 1.00 0.00 C ATOM 876 CD GLU A 593 -10.363 6.681 -5.079 1.00 0.00 C ATOM 877 OE1 GLU A 593 -9.593 5.706 -5.182 1.00 0.00 O ATOM 878 OE2 GLU A 593 -10.238 7.712 -5.777 1.00 0.00 O ATOM 0 H GLU A 593 -11.791 4.902 -1.810 1.00 0.00 H new ATOM 0 HA GLU A 593 -9.307 5.765 -2.776 1.00 0.00 H new ATOM 0 HB2 GLU A 593 -11.895 7.169 -2.035 1.00 0.00 H new ATOM 0 HB3 GLU A 593 -10.544 8.026 -2.750 1.00 0.00 H new ATOM 0 HG2 GLU A 593 -11.887 5.614 -4.018 1.00 0.00 H new ATOM 0 HG3 GLU A 593 -12.302 7.275 -4.389 1.00 0.00 H new ATOM 885 N HIS A 594 -9.957 6.698 0.296 1.00 0.00 N ATOM 886 CA HIS A 594 -9.322 7.204 1.503 1.00 0.00 C ATOM 887 C HIS A 594 -8.224 6.240 1.968 1.00 0.00 C ATOM 888 O HIS A 594 -7.187 6.666 2.470 1.00 0.00 O ATOM 889 CB HIS A 594 -10.386 7.468 2.593 1.00 0.00 C ATOM 890 CG HIS A 594 -10.241 6.673 3.865 1.00 0.00 C ATOM 891 ND1 HIS A 594 -10.844 5.449 4.056 1.00 0.00 N ATOM 892 CD2 HIS A 594 -9.578 6.946 5.015 1.00 0.00 C ATOM 893 CE1 HIS A 594 -10.562 5.007 5.268 1.00 0.00 C ATOM 894 NE2 HIS A 594 -9.795 5.894 5.871 1.00 0.00 N ATOM 0 H HIS A 594 -10.906 6.350 0.431 1.00 0.00 H new ATOM 0 HA HIS A 594 -8.838 8.158 1.292 1.00 0.00 H new ATOM 0 HB2 HIS A 594 -10.363 8.528 2.846 1.00 0.00 H new ATOM 0 HB3 HIS A 594 -11.369 7.263 2.170 1.00 0.00 H new ATOM 0 HD1 HIS A 594 -11.418 4.961 3.369 1.00 0.00 H new ATOM 0 HD2 HIS A 594 -8.988 7.827 5.220 1.00 0.00 H new ATOM 0 HE1 HIS A 594 -10.903 4.075 5.694 1.00 0.00 H new ATOM 903 N LYS A 595 -8.457 4.938 1.803 1.00 0.00 N ATOM 904 CA LYS A 595 -7.441 3.944 2.109 1.00 0.00 C ATOM 905 C LYS A 595 -6.253 4.117 1.176 1.00 0.00 C ATOM 906 O LYS A 595 -5.100 3.937 1.573 1.00 0.00 O ATOM 907 CB LYS A 595 -7.988 2.529 1.953 1.00 0.00 C ATOM 908 CG LYS A 595 -7.103 1.491 2.620 1.00 0.00 C ATOM 909 CD LYS A 595 -6.922 1.798 4.095 1.00 0.00 C ATOM 910 CE LYS A 595 -8.222 1.658 4.862 1.00 0.00 C ATOM 911 NZ LYS A 595 -8.079 2.075 6.280 1.00 0.00 N ATOM 0 H LYS A 595 -9.337 4.553 1.461 1.00 0.00 H new ATOM 0 HA LYS A 595 -7.132 4.090 3.144 1.00 0.00 H new ATOM 0 HB2 LYS A 595 -8.989 2.480 2.382 1.00 0.00 H new ATOM 0 HB3 LYS A 595 -8.084 2.294 0.893 1.00 0.00 H new ATOM 0 HG2 LYS A 595 -7.545 0.502 2.502 1.00 0.00 H new ATOM 0 HG3 LYS A 595 -6.131 1.467 2.128 1.00 0.00 H new ATOM 0 HD2 LYS A 595 -6.176 1.125 4.518 1.00 0.00 H new ATOM 0 HD3 LYS A 595 -6.539 2.812 4.211 1.00 0.00 H new ATOM 0 HE2 LYS A 595 -8.993 2.262 4.383 1.00 0.00 H new ATOM 0 HE3 LYS A 595 -8.557 0.622 4.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 595 -8.860 1.676 6.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 595 -7.173 1.728 6.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 595 -8.104 3.113 6.341 1.00 0.00 H new ATOM 925 N ARG A 596 -6.556 4.458 -0.073 1.00 0.00 N ATOM 926 CA ARG A 596 -5.537 4.721 -1.070 1.00 0.00 C ATOM 927 C ARG A 596 -4.664 5.861 -0.597 1.00 0.00 C ATOM 928 O ARG A 596 -3.456 5.825 -0.763 1.00 0.00 O ATOM 929 CB ARG A 596 -6.175 5.056 -2.426 1.00 0.00 C ATOM 930 CG ARG A 596 -5.207 4.977 -3.598 1.00 0.00 C ATOM 931 CD ARG A 596 -5.931 4.692 -4.912 1.00 0.00 C ATOM 932 NE ARG A 596 -6.871 5.751 -5.287 1.00 0.00 N ATOM 933 CZ ARG A 596 -6.549 6.822 -6.015 1.00 0.00 C ATOM 934 NH1 ARG A 596 -5.292 7.035 -6.394 1.00 0.00 N ATOM 935 NH2 ARG A 596 -7.491 7.687 -6.363 1.00 0.00 N ATOM 0 H ARG A 596 -7.511 4.558 -0.416 1.00 0.00 H new ATOM 0 HA ARG A 596 -4.926 3.828 -1.203 1.00 0.00 H new ATOM 0 HB2 ARG A 596 -7.004 4.372 -2.605 1.00 0.00 H new ATOM 0 HB3 ARG A 596 -6.595 6.061 -2.381 1.00 0.00 H new ATOM 0 HG2 ARG A 596 -4.659 5.916 -3.681 1.00 0.00 H new ATOM 0 HG3 ARG A 596 -4.472 4.194 -3.411 1.00 0.00 H new ATOM 0 HD2 ARG A 596 -5.195 4.568 -5.707 1.00 0.00 H new ATOM 0 HD3 ARG A 596 -6.470 3.748 -4.827 1.00 0.00 H new ATOM 0 HE ARG A 596 -7.837 5.664 -4.970 1.00 0.00 H new ATOM 0 HH11 ARG A 596 -4.561 6.376 -6.128 1.00 0.00 H new ATOM 0 HH12 ARG A 596 -5.060 7.858 -6.950 1.00 0.00 H new ATOM 0 HH21 ARG A 596 -8.457 7.533 -6.074 1.00 0.00 H new ATOM 0 HH22 ARG A 596 -7.250 8.507 -6.919 1.00 0.00 H new ATOM 949 N LYS A 597 -5.291 6.858 0.025 1.00 0.00 N ATOM 950 CA LYS A 597 -4.568 7.990 0.588 1.00 0.00 C ATOM 951 C LYS A 597 -3.699 7.574 1.765 1.00 0.00 C ATOM 952 O LYS A 597 -2.577 8.046 1.905 1.00 0.00 O ATOM 953 CB LYS A 597 -5.538 9.101 0.991 1.00 0.00 C ATOM 954 CG LYS A 597 -6.271 9.676 -0.196 1.00 0.00 C ATOM 955 CD LYS A 597 -5.299 9.895 -1.327 1.00 0.00 C ATOM 956 CE LYS A 597 -5.950 10.502 -2.541 1.00 0.00 C ATOM 957 NZ LYS A 597 -4.933 10.953 -3.529 1.00 0.00 N ATOM 0 H LYS A 597 -6.302 6.902 0.151 1.00 0.00 H new ATOM 0 HA LYS A 597 -3.903 8.375 -0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 597 -6.260 8.708 1.707 1.00 0.00 H new ATOM 0 HB3 LYS A 597 -4.988 9.895 1.496 1.00 0.00 H new ATOM 0 HG2 LYS A 597 -7.065 8.998 -0.510 1.00 0.00 H new ATOM 0 HG3 LYS A 597 -6.746 10.618 0.078 1.00 0.00 H new ATOM 0 HD2 LYS A 597 -4.493 10.546 -0.988 1.00 0.00 H new ATOM 0 HD3 LYS A 597 -4.845 8.942 -1.601 1.00 0.00 H new ATOM 0 HE2 LYS A 597 -6.612 9.771 -3.005 1.00 0.00 H new ATOM 0 HE3 LYS A 597 -6.569 11.348 -2.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 597 -5.296 10.805 -4.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 597 -4.734 11.964 -3.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 597 -4.058 10.406 -3.401 1.00 0.00 H new ATOM 971 N GLU A 598 -4.211 6.685 2.601 1.00 0.00 N ATOM 972 CA GLU A 598 -3.431 6.152 3.710 1.00 0.00 C ATOM 973 C GLU A 598 -2.185 5.438 3.192 1.00 0.00 C ATOM 974 O GLU A 598 -1.058 5.723 3.611 1.00 0.00 O ATOM 975 CB GLU A 598 -4.262 5.168 4.522 1.00 0.00 C ATOM 976 CG GLU A 598 -5.322 5.811 5.385 1.00 0.00 C ATOM 977 CD GLU A 598 -6.166 4.775 6.094 1.00 0.00 C ATOM 978 OE1 GLU A 598 -5.653 4.128 7.029 1.00 0.00 O ATOM 979 OE2 GLU A 598 -7.330 4.582 5.705 1.00 0.00 O ATOM 0 H GLU A 598 -5.160 6.317 2.535 1.00 0.00 H new ATOM 0 HA GLU A 598 -3.135 6.988 4.344 1.00 0.00 H new ATOM 0 HB2 GLU A 598 -4.742 4.467 3.840 1.00 0.00 H new ATOM 0 HB3 GLU A 598 -3.595 4.587 5.159 1.00 0.00 H new ATOM 0 HG2 GLU A 598 -4.848 6.461 6.121 1.00 0.00 H new ATOM 0 HG3 GLU A 598 -5.962 6.442 4.768 1.00 0.00 H new ATOM 986 N LEU A 599 -2.410 4.505 2.278 1.00 0.00 N ATOM 987 CA LEU A 599 -1.334 3.735 1.676 1.00 0.00 C ATOM 988 C LEU A 599 -0.394 4.685 0.928 1.00 0.00 C ATOM 989 O LEU A 599 0.822 4.561 1.003 1.00 0.00 O ATOM 990 CB LEU A 599 -1.939 2.678 0.734 1.00 0.00 C ATOM 991 CG LEU A 599 -1.035 1.505 0.337 1.00 0.00 C ATOM 992 CD1 LEU A 599 0.058 1.951 -0.613 1.00 0.00 C ATOM 993 CD2 LEU A 599 -0.436 0.836 1.559 1.00 0.00 C ATOM 0 H LEU A 599 -3.339 4.262 1.935 1.00 0.00 H new ATOM 0 HA LEU A 599 -0.755 3.218 2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 599 -2.833 2.272 1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 599 -2.262 3.181 -0.177 1.00 0.00 H new ATOM 0 HG LEU A 599 -1.657 0.775 -0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 599 0.682 1.097 -0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 599 -0.391 2.364 -1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 599 0.670 2.713 -0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 599 0.200 0.008 1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 599 0.159 1.560 2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -1.236 0.458 2.196 1.00 0.00 H new ATOM 1005 N GLU A 600 -0.989 5.655 0.251 1.00 0.00 N ATOM 1006 CA GLU A 600 -0.258 6.694 -0.474 1.00 0.00 C ATOM 1007 C GLU A 600 0.714 7.419 0.451 1.00 0.00 C ATOM 1008 O GLU A 600 1.870 7.616 0.104 1.00 0.00 O ATOM 1009 CB GLU A 600 -1.270 7.691 -1.059 1.00 0.00 C ATOM 1010 CG GLU A 600 -0.691 8.766 -1.965 1.00 0.00 C ATOM 1011 CD GLU A 600 -1.735 9.804 -2.351 1.00 0.00 C ATOM 1012 OE1 GLU A 600 -2.573 9.524 -3.239 1.00 0.00 O ATOM 1013 OE2 GLU A 600 -1.735 10.900 -1.752 1.00 0.00 O ATOM 0 H GLU A 600 -2.003 5.748 0.186 1.00 0.00 H new ATOM 0 HA GLU A 600 0.321 6.234 -1.275 1.00 0.00 H new ATOM 0 HB2 GLU A 600 -2.018 7.133 -1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 600 -1.790 8.179 -0.234 1.00 0.00 H new ATOM 0 HG2 GLU A 600 0.141 9.258 -1.460 1.00 0.00 H new ATOM 0 HG3 GLU A 600 -0.288 8.303 -2.866 1.00 0.00 H new ATOM 1020 N GLN A 601 0.249 7.800 1.634 1.00 0.00 N ATOM 1021 CA GLN A 601 1.088 8.513 2.588 1.00 0.00 C ATOM 1022 C GLN A 601 2.221 7.636 3.127 1.00 0.00 C ATOM 1023 O GLN A 601 3.276 8.151 3.488 1.00 0.00 O ATOM 1024 CB GLN A 601 0.257 9.035 3.755 1.00 0.00 C ATOM 1025 CG GLN A 601 -0.865 9.972 3.345 1.00 0.00 C ATOM 1026 CD GLN A 601 -1.697 10.425 4.526 1.00 0.00 C ATOM 1027 OE1 GLN A 601 -1.207 10.512 5.650 1.00 0.00 O ATOM 1028 NE2 GLN A 601 -2.961 10.726 4.281 1.00 0.00 N ATOM 0 H GLN A 601 -0.704 7.627 1.955 1.00 0.00 H new ATOM 0 HA GLN A 601 1.531 9.351 2.050 1.00 0.00 H new ATOM 0 HB2 GLN A 601 -0.169 8.187 4.292 1.00 0.00 H new ATOM 0 HB3 GLN A 601 0.914 9.555 4.452 1.00 0.00 H new ATOM 0 HG2 GLN A 601 -0.443 10.844 2.845 1.00 0.00 H new ATOM 0 HG3 GLN A 601 -1.508 9.470 2.622 1.00 0.00 H new ATOM 0 HE21 GLN A 601 -3.331 10.641 3.334 1.00 0.00 H new ATOM 0 HE22 GLN A 601 -3.566 11.043 5.039 1.00 0.00 H new ATOM 1037 N VAL A 602 2.002 6.325 3.209 1.00 0.00 N ATOM 1038 CA VAL A 602 3.046 5.426 3.706 1.00 0.00 C ATOM 1039 C VAL A 602 4.122 5.201 2.639 1.00 0.00 C ATOM 1040 O VAL A 602 5.313 5.169 2.945 1.00 0.00 O ATOM 1041 CB VAL A 602 2.476 4.064 4.185 1.00 0.00 C ATOM 1042 CG1 VAL A 602 2.315 3.083 3.040 1.00 0.00 C ATOM 1043 CG2 VAL A 602 3.358 3.459 5.265 1.00 0.00 C ATOM 0 H VAL A 602 1.130 5.867 2.944 1.00 0.00 H new ATOM 0 HA VAL A 602 3.495 5.914 4.571 1.00 0.00 H new ATOM 0 HB VAL A 602 1.487 4.261 4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 602 1.914 2.143 3.420 1.00 0.00 H new ATOM 0 HG12 VAL A 602 1.631 3.497 2.300 1.00 0.00 H new ATOM 0 HG13 VAL A 602 3.285 2.902 2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 602 2.939 2.505 5.585 1.00 0.00 H new ATOM 0 HG22 VAL A 602 4.361 3.300 4.869 1.00 0.00 H new ATOM 0 HG23 VAL A 602 3.408 4.138 6.117 1.00 0.00 H new ATOM 1053 N CYS A 603 3.694 5.049 1.388 1.00 0.00 N ATOM 1054 CA CYS A 603 4.609 4.795 0.280 1.00 0.00 C ATOM 1055 C CYS A 603 5.221 6.092 -0.245 1.00 0.00 C ATOM 1056 O CYS A 603 6.307 6.080 -0.806 1.00 0.00 O ATOM 1057 CB CYS A 603 3.894 4.052 -0.850 1.00 0.00 C ATOM 1058 SG CYS A 603 2.400 4.861 -1.455 1.00 0.00 S ATOM 0 H CYS A 603 2.712 5.098 1.116 1.00 0.00 H new ATOM 0 HA CYS A 603 5.417 4.168 0.657 1.00 0.00 H new ATOM 0 HB2 CYS A 603 4.587 3.930 -1.682 1.00 0.00 H new ATOM 0 HB3 CYS A 603 3.634 3.052 -0.502 1.00 0.00 H new ATOM 0 HG CYS A 603 1.445 4.715 -0.585 1.00 0.00 H new ATOM 1064 N ASN A 604 4.515 7.204 -0.069 1.00 0.00 N ATOM 1065 CA ASN A 604 4.946 8.512 -0.587 1.00 0.00 C ATOM 1066 C ASN A 604 6.408 8.844 -0.230 1.00 0.00 C ATOM 1067 O ASN A 604 7.192 9.156 -1.127 1.00 0.00 O ATOM 1068 CB ASN A 604 4.017 9.618 -0.063 1.00 0.00 C ATOM 1069 CG ASN A 604 4.399 11.005 -0.541 1.00 0.00 C ATOM 1070 OD1 ASN A 604 4.812 11.197 -1.686 1.00 0.00 O ATOM 1071 ND2 ASN A 604 4.289 11.981 0.350 1.00 0.00 N ATOM 0 H ASN A 604 3.629 7.232 0.435 1.00 0.00 H new ATOM 0 HA ASN A 604 4.886 8.458 -1.674 1.00 0.00 H new ATOM 0 HB2 ASN A 604 2.996 9.403 -0.377 1.00 0.00 H new ATOM 0 HB3 ASN A 604 4.026 9.603 1.027 1.00 0.00 H new ATOM 0 HD21 ASN A 604 4.551 12.934 0.098 1.00 0.00 H new ATOM 0 HD22 ASN A 604 3.942 11.779 1.288 1.00 0.00 H new ATOM 1078 N PRO A 605 6.820 8.768 1.059 1.00 0.00 N ATOM 1079 CA PRO A 605 8.205 9.071 1.463 1.00 0.00 C ATOM 1080 C PRO A 605 9.217 8.148 0.796 1.00 0.00 C ATOM 1081 O PRO A 605 10.381 8.505 0.598 1.00 0.00 O ATOM 1082 CB PRO A 605 8.197 8.846 2.977 1.00 0.00 C ATOM 1083 CG PRO A 605 6.772 9.005 3.357 1.00 0.00 C ATOM 1084 CD PRO A 605 6.003 8.395 2.229 1.00 0.00 C ATOM 0 HA PRO A 605 8.500 10.079 1.171 1.00 0.00 H new ATOM 0 HB2 PRO A 605 8.571 7.855 3.235 1.00 0.00 H new ATOM 0 HB3 PRO A 605 8.830 9.569 3.491 1.00 0.00 H new ATOM 0 HG2 PRO A 605 6.556 8.502 4.300 1.00 0.00 H new ATOM 0 HG3 PRO A 605 6.513 10.056 3.489 1.00 0.00 H new ATOM 0 HD2 PRO A 605 5.913 7.314 2.335 1.00 0.00 H new ATOM 0 HD3 PRO A 605 4.991 8.794 2.163 1.00 0.00 H new ATOM 1092 N ILE A 606 8.749 6.967 0.435 1.00 0.00 N ATOM 1093 CA ILE A 606 9.588 5.948 -0.159 1.00 0.00 C ATOM 1094 C ILE A 606 9.607 6.098 -1.686 1.00 0.00 C ATOM 1095 O ILE A 606 10.655 5.994 -2.315 1.00 0.00 O ATOM 1096 CB ILE A 606 9.104 4.535 0.268 1.00 0.00 C ATOM 1097 CG1 ILE A 606 8.472 3.781 -0.903 1.00 0.00 C ATOM 1098 CG2 ILE A 606 8.124 4.628 1.435 1.00 0.00 C ATOM 1099 CD1 ILE A 606 7.556 2.654 -0.488 1.00 0.00 C ATOM 0 H ILE A 606 7.774 6.689 0.547 1.00 0.00 H new ATOM 0 HA ILE A 606 10.609 6.073 0.201 1.00 0.00 H new ATOM 0 HB ILE A 606 9.979 3.973 0.593 1.00 0.00 H new ATOM 0 HG12 ILE A 606 7.909 4.486 -1.514 1.00 0.00 H new ATOM 0 HG13 ILE A 606 9.265 3.377 -1.532 1.00 0.00 H new ATOM 0 HG21 ILE A 606 7.798 3.627 1.717 1.00 0.00 H new ATOM 0 HG22 ILE A 606 8.614 5.103 2.285 1.00 0.00 H new ATOM 0 HG23 ILE A 606 7.259 5.221 1.137 1.00 0.00 H new ATOM 0 HD11 ILE A 606 7.149 2.170 -1.376 1.00 0.00 H new ATOM 0 HD12 ILE A 606 8.117 1.925 0.097 1.00 0.00 H new ATOM 0 HD13 ILE A 606 6.740 3.052 0.115 1.00 0.00 H new ATOM 1111 N ILE A 607 8.440 6.384 -2.261 1.00 0.00 N ATOM 1112 CA ILE A 607 8.286 6.547 -3.701 1.00 0.00 C ATOM 1113 C ILE A 607 8.995 7.807 -4.183 1.00 0.00 C ATOM 1114 O ILE A 607 9.547 7.838 -5.282 1.00 0.00 O ATOM 1115 CB ILE A 607 6.778 6.571 -4.086 1.00 0.00 C ATOM 1116 CG1 ILE A 607 6.350 5.215 -4.654 1.00 0.00 C ATOM 1117 CG2 ILE A 607 6.457 7.687 -5.071 1.00 0.00 C ATOM 1118 CD1 ILE A 607 6.479 4.067 -3.677 1.00 0.00 C ATOM 0 H ILE A 607 7.574 6.509 -1.737 1.00 0.00 H new ATOM 0 HA ILE A 607 8.750 5.694 -4.197 1.00 0.00 H new ATOM 0 HB ILE A 607 6.213 6.770 -3.176 1.00 0.00 H new ATOM 0 HG12 ILE A 607 5.313 5.282 -4.984 1.00 0.00 H new ATOM 0 HG13 ILE A 607 6.952 4.996 -5.536 1.00 0.00 H new ATOM 0 HG21 ILE A 607 5.394 7.666 -5.311 1.00 0.00 H new ATOM 0 HG22 ILE A 607 6.709 8.649 -4.625 1.00 0.00 H new ATOM 0 HG23 ILE A 607 7.038 7.546 -5.982 1.00 0.00 H new ATOM 0 HD11 ILE A 607 6.156 3.143 -4.157 1.00 0.00 H new ATOM 0 HD12 ILE A 607 7.519 3.970 -3.365 1.00 0.00 H new ATOM 0 HD13 ILE A 607 5.855 4.260 -2.804 1.00 0.00 H new ATOM 1130 N SER A 608 9.008 8.836 -3.346 1.00 0.00 N ATOM 1131 CA SER A 608 9.700 10.071 -3.683 1.00 0.00 C ATOM 1132 C SER A 608 11.216 9.866 -3.666 1.00 0.00 C ATOM 1133 O SER A 608 11.973 10.728 -4.105 1.00 0.00 O ATOM 1134 CB SER A 608 9.289 11.192 -2.724 1.00 0.00 C ATOM 1135 OG SER A 608 9.291 10.746 -1.378 1.00 0.00 O ATOM 0 H SER A 608 8.550 8.840 -2.435 1.00 0.00 H new ATOM 0 HA SER A 608 9.413 10.362 -4.693 1.00 0.00 H new ATOM 0 HB2 SER A 608 9.973 12.034 -2.831 1.00 0.00 H new ATOM 0 HB3 SER A 608 8.295 11.553 -2.988 1.00 0.00 H new ATOM 0 HG SER A 608 8.430 10.326 -1.171 1.00 0.00 H new ATOM 1141 N GLY A 609 11.647 8.711 -3.165 1.00 0.00 N ATOM 1142 CA GLY A 609 13.054 8.362 -3.181 1.00 0.00 C ATOM 1143 C GLY A 609 13.328 7.203 -4.117 1.00 0.00 C ATOM 1144 O GLY A 609 14.436 6.668 -4.154 1.00 0.00 O ATOM 0 H GLY A 609 11.040 8.007 -2.746 1.00 0.00 H new ATOM 0 HA2 GLY A 609 13.641 9.227 -3.490 1.00 0.00 H new ATOM 0 HA3 GLY A 609 13.377 8.101 -2.173 1.00 0.00 H new ATOM 1148 N LEU A 610 12.307 6.811 -4.866 1.00 0.00 N ATOM 1149 CA LEU A 610 12.418 5.709 -5.806 1.00 0.00 C ATOM 1150 C LEU A 610 12.261 6.217 -7.232 1.00 0.00 C ATOM 1151 O LEU A 610 13.244 6.755 -7.785 1.00 0.00 O ATOM 1152 CB LEU A 610 11.355 4.646 -5.505 1.00 0.00 C ATOM 1153 CG LEU A 610 11.586 3.829 -4.234 1.00 0.00 C ATOM 1154 CD1 LEU A 610 10.469 2.813 -4.041 1.00 0.00 C ATOM 1155 CD2 LEU A 610 12.937 3.133 -4.289 1.00 0.00 C ATOM 1156 OXT LEU A 610 11.152 6.090 -7.793 1.00 0.00 O ATOM 0 H LEU A 610 11.385 7.246 -4.839 1.00 0.00 H new ATOM 0 HA LEU A 610 13.405 5.258 -5.700 1.00 0.00 H new ATOM 0 HB2 LEU A 610 10.385 5.138 -5.429 1.00 0.00 H new ATOM 0 HB3 LEU A 610 11.300 3.962 -6.352 1.00 0.00 H new ATOM 0 HG LEU A 610 11.582 4.508 -3.382 1.00 0.00 H new ATOM 0 HD11 LEU A 610 10.651 2.241 -3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 610 9.515 3.333 -3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 610 10.441 2.137 -4.895 1.00 0.00 H new ATOM 0 HD21 LEU A 610 13.086 2.556 -3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 610 12.968 2.465 -5.150 1.00 0.00 H new ATOM 0 HD23 LEU A 610 13.727 3.879 -4.380 1.00 0.00 H new TER 1168 LEU A 610