USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=19 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= 0.161 USER MOD Single : A 539 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 540 ASN : amide:sc= -0.101 K(o=-0.1,f=-2.2!) USER MOD Single : A 544 SER OG : rot 81:sc= 1.23 USER MOD Single : A 545 TYR OH : rot -142:sc= 0.479 USER MOD Single : A 548 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.6!) USER MOD Single : A 549 MET CE :methyl 142:sc= -0.78 (180deg=-2.58!) USER MOD Single : A 550 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.635) USER MOD Single : A 551 SER OG : rot 180:sc= 0 USER MOD Single : A 559 LYS NZ :NH3+ 145:sc=0.000328 (180deg=-0.0638) USER MOD Single : A 561 LYS NZ :NH3+ -164:sc= -0.0351 (180deg=-0.277) USER MOD Single : A 563 SER OG : rot 105:sc= 1.38 USER MOD Single : A 567 LYS NZ :NH3+ 174:sc= 1.26 (180deg=1.23) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 569 LYS NZ :NH3+ 146:sc= -1.53! (180deg=-3.74!) USER MOD Single : A 573 LYS NZ :NH3+ -149:sc= -0.925 (180deg=-2.8!) USER MOD Single : A 574 CYS SG : rot 69:sc= -4.03! USER MOD Single : A 575 GLN : amide:sc= -0.437 X(o=-0.44,f=-0.094) USER MOD Single : A 579 SER OG : rot 73:sc= 1.31 USER MOD Single : A 584 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 585 THR OG1 : rot 180:sc= 0.147 USER MOD Single : A 589 LYS NZ :NH3+ 155:sc= 0.355 (180deg=-1.86!) USER MOD Single : A 594 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 595 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 597 LYS NZ :NH3+ 165:sc= 1.28 (180deg=1.1) USER MOD Single : A 601 GLN : amide:sc= -1.13 K(o=-1.1,f=0) USER MOD Single : A 603 CYS SG : rot 163:sc= -2.82! USER MOD Single : A 604 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 608 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 537 -15.188 -0.592 -8.547 1.00 0.00 N ATOM 2 CA SER A 537 -14.043 -1.524 -8.520 1.00 0.00 C ATOM 3 C SER A 537 -12.830 -0.869 -7.863 1.00 0.00 C ATOM 4 O SER A 537 -11.685 -1.096 -8.268 1.00 0.00 O ATOM 5 CB SER A 537 -13.710 -1.957 -9.945 1.00 0.00 C ATOM 6 OG SER A 537 -14.865 -2.470 -10.590 1.00 0.00 O ATOM 0 HA SER A 537 -14.311 -2.401 -7.931 1.00 0.00 H new ATOM 0 HB2 SER A 537 -13.318 -1.109 -10.507 1.00 0.00 H new ATOM 0 HB3 SER A 537 -12.928 -2.716 -9.928 1.00 0.00 H new ATOM 0 HG SER A 537 -15.668 -2.113 -10.156 1.00 0.00 H new ATOM 12 N ALA A 538 -13.085 -0.072 -6.828 1.00 0.00 N ATOM 13 CA ALA A 538 -12.025 0.645 -6.134 1.00 0.00 C ATOM 14 C ALA A 538 -11.123 -0.318 -5.375 1.00 0.00 C ATOM 15 O ALA A 538 -9.963 -0.007 -5.112 1.00 0.00 O ATOM 16 CB ALA A 538 -12.609 1.676 -5.181 1.00 0.00 C ATOM 0 H ALA A 538 -14.019 0.092 -6.453 1.00 0.00 H new ATOM 0 HA ALA A 538 -11.425 1.161 -6.883 1.00 0.00 H new ATOM 0 HB1 ALA A 538 -11.800 2.201 -4.672 1.00 0.00 H new ATOM 0 HB2 ALA A 538 -13.209 2.392 -5.743 1.00 0.00 H new ATOM 0 HB3 ALA A 538 -13.237 1.176 -4.444 1.00 0.00 H new ATOM 22 N LYS A 539 -11.658 -1.486 -5.027 1.00 0.00 N ATOM 23 CA LYS A 539 -10.875 -2.500 -4.335 1.00 0.00 C ATOM 24 C LYS A 539 -9.737 -2.976 -5.223 1.00 0.00 C ATOM 25 O LYS A 539 -8.617 -3.185 -4.763 1.00 0.00 O ATOM 26 CB LYS A 539 -11.749 -3.695 -3.947 1.00 0.00 C ATOM 27 CG LYS A 539 -11.076 -4.623 -2.950 1.00 0.00 C ATOM 28 CD LYS A 539 -11.203 -6.077 -3.347 1.00 0.00 C ATOM 29 CE LYS A 539 -10.239 -6.918 -2.541 1.00 0.00 C ATOM 30 NZ LYS A 539 -10.393 -8.371 -2.808 1.00 0.00 N ATOM 0 H LYS A 539 -12.625 -1.750 -5.213 1.00 0.00 H new ATOM 0 HA LYS A 539 -10.470 -2.052 -3.428 1.00 0.00 H new ATOM 0 HB2 LYS A 539 -12.685 -3.331 -3.522 1.00 0.00 H new ATOM 0 HB3 LYS A 539 -12.004 -4.258 -4.845 1.00 0.00 H new ATOM 0 HG2 LYS A 539 -10.021 -4.361 -2.868 1.00 0.00 H new ATOM 0 HG3 LYS A 539 -11.518 -4.477 -1.965 1.00 0.00 H new ATOM 0 HD2 LYS A 539 -12.224 -6.420 -3.181 1.00 0.00 H new ATOM 0 HD3 LYS A 539 -10.997 -6.192 -4.411 1.00 0.00 H new ATOM 0 HE2 LYS A 539 -9.217 -6.616 -2.771 1.00 0.00 H new ATOM 0 HE3 LYS A 539 -10.396 -6.728 -1.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 539 -9.711 -8.904 -2.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 539 -11.359 -8.668 -2.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 539 -10.217 -8.559 -3.816 1.00 0.00 H new ATOM 44 N ASN A 540 -10.041 -3.130 -6.503 1.00 0.00 N ATOM 45 CA ASN A 540 -9.064 -3.569 -7.489 1.00 0.00 C ATOM 46 C ASN A 540 -7.926 -2.565 -7.591 1.00 0.00 C ATOM 47 O ASN A 540 -6.755 -2.940 -7.577 1.00 0.00 O ATOM 48 CB ASN A 540 -9.732 -3.747 -8.856 1.00 0.00 C ATOM 49 CG ASN A 540 -10.747 -4.872 -8.888 1.00 0.00 C ATOM 50 OD1 ASN A 540 -11.279 -5.287 -7.857 1.00 0.00 O ATOM 51 ND2 ASN A 540 -11.053 -5.334 -10.082 1.00 0.00 N ATOM 0 H ASN A 540 -10.970 -2.955 -6.887 1.00 0.00 H new ATOM 0 HA ASN A 540 -8.657 -4.528 -7.169 1.00 0.00 H new ATOM 0 HB2 ASN A 540 -10.224 -2.816 -9.136 1.00 0.00 H new ATOM 0 HB3 ASN A 540 -8.964 -3.939 -9.605 1.00 0.00 H new ATOM 0 HD21 ASN A 540 -11.757 -6.066 -10.181 1.00 0.00 H new ATOM 0 HD22 ASN A 540 -10.586 -4.960 -10.908 1.00 0.00 H new ATOM 58 N ALA A 541 -8.279 -1.286 -7.680 1.00 0.00 N ATOM 59 CA ALA A 541 -7.288 -0.213 -7.698 1.00 0.00 C ATOM 60 C ALA A 541 -6.483 -0.207 -6.410 1.00 0.00 C ATOM 61 O ALA A 541 -5.271 -0.017 -6.423 1.00 0.00 O ATOM 62 CB ALA A 541 -7.964 1.134 -7.885 1.00 0.00 C ATOM 0 H ALA A 541 -9.246 -0.966 -7.741 1.00 0.00 H new ATOM 0 HA ALA A 541 -6.614 -0.391 -8.536 1.00 0.00 H new ATOM 0 HB1 ALA A 541 -7.210 1.921 -7.896 1.00 0.00 H new ATOM 0 HB2 ALA A 541 -8.508 1.140 -8.829 1.00 0.00 H new ATOM 0 HB3 ALA A 541 -8.659 1.309 -7.064 1.00 0.00 H new ATOM 68 N LEU A 542 -7.167 -0.442 -5.301 1.00 0.00 N ATOM 69 CA LEU A 542 -6.555 -0.344 -3.986 1.00 0.00 C ATOM 70 C LEU A 542 -5.594 -1.490 -3.721 1.00 0.00 C ATOM 71 O LEU A 542 -4.458 -1.272 -3.295 1.00 0.00 O ATOM 72 CB LEU A 542 -7.641 -0.340 -2.915 1.00 0.00 C ATOM 73 CG LEU A 542 -7.489 0.748 -1.866 1.00 0.00 C ATOM 74 CD1 LEU A 542 -6.211 0.564 -1.070 1.00 0.00 C ATOM 75 CD2 LEU A 542 -7.495 2.095 -2.538 1.00 0.00 C ATOM 0 H LEU A 542 -8.153 -0.704 -5.287 1.00 0.00 H new ATOM 0 HA LEU A 542 -5.987 0.586 -3.954 1.00 0.00 H new ATOM 0 HB2 LEU A 542 -8.611 -0.227 -3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 542 -7.645 -1.309 -2.417 1.00 0.00 H new ATOM 0 HG LEU A 542 -8.327 0.683 -1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 542 -6.128 1.357 -0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 542 -6.231 -0.403 -0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 542 -5.354 0.606 -1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 542 -7.386 2.877 -1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 542 -6.667 2.153 -3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 542 -8.436 2.232 -3.070 1.00 0.00 H new ATOM 87 N GLU A 543 -6.043 -2.706 -3.987 1.00 0.00 N ATOM 88 CA GLU A 543 -5.256 -3.876 -3.688 1.00 0.00 C ATOM 89 C GLU A 543 -4.041 -3.928 -4.599 1.00 0.00 C ATOM 90 O GLU A 543 -2.947 -4.263 -4.161 1.00 0.00 O ATOM 91 CB GLU A 543 -6.106 -5.137 -3.827 1.00 0.00 C ATOM 92 CG GLU A 543 -5.553 -6.304 -3.030 1.00 0.00 C ATOM 93 CD GLU A 543 -6.091 -7.643 -3.488 1.00 0.00 C ATOM 94 OE1 GLU A 543 -5.593 -8.173 -4.499 1.00 0.00 O ATOM 95 OE2 GLU A 543 -7.025 -8.169 -2.844 1.00 0.00 O ATOM 0 H GLU A 543 -6.950 -2.901 -4.410 1.00 0.00 H new ATOM 0 HA GLU A 543 -4.908 -3.821 -2.657 1.00 0.00 H new ATOM 0 HB2 GLU A 543 -7.122 -4.924 -3.495 1.00 0.00 H new ATOM 0 HB3 GLU A 543 -6.166 -5.416 -4.879 1.00 0.00 H new ATOM 0 HG2 GLU A 543 -4.466 -6.309 -3.111 1.00 0.00 H new ATOM 0 HG3 GLU A 543 -5.794 -6.163 -1.976 1.00 0.00 H new ATOM 102 N SER A 544 -4.233 -3.554 -5.857 1.00 0.00 N ATOM 103 CA SER A 544 -3.133 -3.500 -6.803 1.00 0.00 C ATOM 104 C SER A 544 -2.153 -2.400 -6.408 1.00 0.00 C ATOM 105 O SER A 544 -0.946 -2.568 -6.536 1.00 0.00 O ATOM 106 CB SER A 544 -3.657 -3.262 -8.220 1.00 0.00 C ATOM 107 OG SER A 544 -4.620 -4.241 -8.574 1.00 0.00 O ATOM 0 H SER A 544 -5.138 -3.285 -6.243 1.00 0.00 H new ATOM 0 HA SER A 544 -2.611 -4.457 -6.785 1.00 0.00 H new ATOM 0 HB2 SER A 544 -4.101 -2.269 -8.286 1.00 0.00 H new ATOM 0 HB3 SER A 544 -2.828 -3.288 -8.928 1.00 0.00 H new ATOM 0 HG SER A 544 -5.488 -4.001 -8.187 1.00 0.00 H new ATOM 113 N TYR A 545 -2.681 -1.287 -5.903 1.00 0.00 N ATOM 114 CA TYR A 545 -1.850 -0.169 -5.475 1.00 0.00 C ATOM 115 C TYR A 545 -0.973 -0.592 -4.300 1.00 0.00 C ATOM 116 O TYR A 545 0.241 -0.384 -4.311 1.00 0.00 O ATOM 117 CB TYR A 545 -2.730 1.022 -5.069 1.00 0.00 C ATOM 118 CG TYR A 545 -2.004 2.349 -5.046 1.00 0.00 C ATOM 119 CD1 TYR A 545 -0.941 2.565 -4.186 1.00 0.00 C ATOM 120 CD2 TYR A 545 -2.383 3.381 -5.891 1.00 0.00 C ATOM 121 CE1 TYR A 545 -0.265 3.767 -4.167 1.00 0.00 C ATOM 122 CE2 TYR A 545 -1.717 4.593 -5.881 1.00 0.00 C ATOM 123 CZ TYR A 545 -0.655 4.780 -5.021 1.00 0.00 C ATOM 124 OH TYR A 545 0.020 5.984 -5.015 1.00 0.00 O ATOM 0 H TYR A 545 -3.683 -1.137 -5.781 1.00 0.00 H new ATOM 0 HA TYR A 545 -1.212 0.132 -6.306 1.00 0.00 H new ATOM 0 HB2 TYR A 545 -3.570 1.092 -5.761 1.00 0.00 H new ATOM 0 HB3 TYR A 545 -3.147 0.831 -4.080 1.00 0.00 H new ATOM 0 HD1 TYR A 545 -0.635 1.776 -3.516 1.00 0.00 H new ATOM 0 HD2 TYR A 545 -3.212 3.236 -6.568 1.00 0.00 H new ATOM 0 HE1 TYR A 545 0.563 3.915 -3.490 1.00 0.00 H new ATOM 0 HE2 TYR A 545 -2.027 5.388 -6.543 1.00 0.00 H new ATOM 0 HH TYR A 545 -0.618 6.717 -5.139 1.00 0.00 H new ATOM 134 N ALA A 546 -1.589 -1.207 -3.297 1.00 0.00 N ATOM 135 CA ALA A 546 -0.859 -1.663 -2.128 1.00 0.00 C ATOM 136 C ALA A 546 0.115 -2.769 -2.512 1.00 0.00 C ATOM 137 O ALA A 546 1.260 -2.788 -2.063 1.00 0.00 O ATOM 138 CB ALA A 546 -1.829 -2.122 -1.047 1.00 0.00 C ATOM 0 H ALA A 546 -2.590 -1.399 -3.273 1.00 0.00 H new ATOM 0 HA ALA A 546 -0.278 -0.834 -1.724 1.00 0.00 H new ATOM 0 HB1 ALA A 546 -1.269 -2.462 -0.176 1.00 0.00 H new ATOM 0 HB2 ALA A 546 -2.475 -1.292 -0.762 1.00 0.00 H new ATOM 0 HB3 ALA A 546 -2.438 -2.942 -1.429 1.00 0.00 H new ATOM 144 N PHE A 547 -0.340 -3.675 -3.375 1.00 0.00 N ATOM 145 CA PHE A 547 0.520 -4.717 -3.921 1.00 0.00 C ATOM 146 C PHE A 547 1.714 -4.103 -4.648 1.00 0.00 C ATOM 147 O PHE A 547 2.837 -4.578 -4.522 1.00 0.00 O ATOM 148 CB PHE A 547 -0.256 -5.609 -4.890 1.00 0.00 C ATOM 149 CG PHE A 547 -0.655 -6.944 -4.324 1.00 0.00 C ATOM 150 CD1 PHE A 547 -1.704 -7.051 -3.425 1.00 0.00 C ATOM 151 CD2 PHE A 547 0.013 -8.096 -4.710 1.00 0.00 C ATOM 152 CE1 PHE A 547 -2.078 -8.282 -2.919 1.00 0.00 C ATOM 153 CE2 PHE A 547 -0.356 -9.328 -4.205 1.00 0.00 C ATOM 154 CZ PHE A 547 -1.404 -9.421 -3.309 1.00 0.00 C ATOM 0 H PHE A 547 -1.303 -3.706 -3.711 1.00 0.00 H new ATOM 0 HA PHE A 547 0.878 -5.322 -3.088 1.00 0.00 H new ATOM 0 HB2 PHE A 547 -1.154 -5.081 -5.210 1.00 0.00 H new ATOM 0 HB3 PHE A 547 0.352 -5.773 -5.780 1.00 0.00 H new ATOM 0 HD1 PHE A 547 -2.235 -6.163 -3.116 1.00 0.00 H new ATOM 0 HD2 PHE A 547 0.830 -8.030 -5.413 1.00 0.00 H new ATOM 0 HE1 PHE A 547 -2.897 -8.352 -2.219 1.00 0.00 H new ATOM 0 HE2 PHE A 547 0.174 -10.218 -4.510 1.00 0.00 H new ATOM 0 HZ PHE A 547 -1.695 -10.383 -2.915 1.00 0.00 H new ATOM 164 N ASN A 548 1.451 -3.039 -5.402 1.00 0.00 N ATOM 165 CA ASN A 548 2.484 -2.354 -6.178 1.00 0.00 C ATOM 166 C ASN A 548 3.585 -1.791 -5.290 1.00 0.00 C ATOM 167 O ASN A 548 4.767 -2.010 -5.550 1.00 0.00 O ATOM 168 CB ASN A 548 1.870 -1.226 -7.019 1.00 0.00 C ATOM 169 CG ASN A 548 1.362 -1.707 -8.363 1.00 0.00 C ATOM 170 OD1 ASN A 548 1.893 -2.658 -8.937 1.00 0.00 O ATOM 171 ND2 ASN A 548 0.334 -1.053 -8.877 1.00 0.00 N ATOM 0 H ASN A 548 0.522 -2.628 -5.493 1.00 0.00 H new ATOM 0 HA ASN A 548 2.931 -3.097 -6.839 1.00 0.00 H new ATOM 0 HB2 ASN A 548 1.048 -0.773 -6.466 1.00 0.00 H new ATOM 0 HB3 ASN A 548 2.617 -0.447 -7.175 1.00 0.00 H new ATOM 0 HD21 ASN A 548 -0.047 -1.332 -9.781 1.00 0.00 H new ATOM 0 HD22 ASN A 548 -0.078 -0.270 -8.369 1.00 0.00 H new ATOM 178 N MET A 549 3.199 -1.068 -4.245 1.00 0.00 N ATOM 179 CA MET A 549 4.167 -0.464 -3.337 1.00 0.00 C ATOM 180 C MET A 549 4.933 -1.545 -2.590 1.00 0.00 C ATOM 181 O MET A 549 6.153 -1.475 -2.435 1.00 0.00 O ATOM 182 CB MET A 549 3.449 0.440 -2.344 1.00 0.00 C ATOM 183 CG MET A 549 2.518 1.456 -2.986 1.00 0.00 C ATOM 184 SD MET A 549 3.368 2.755 -3.907 1.00 0.00 S ATOM 185 CE MET A 549 3.633 1.956 -5.487 1.00 0.00 C ATOM 0 H MET A 549 2.224 -0.886 -4.006 1.00 0.00 H new ATOM 0 HA MET A 549 4.873 0.129 -3.918 1.00 0.00 H new ATOM 0 HB2 MET A 549 2.874 -0.180 -1.656 1.00 0.00 H new ATOM 0 HB3 MET A 549 4.193 0.970 -1.749 1.00 0.00 H new ATOM 0 HG2 MET A 549 1.837 0.935 -3.659 1.00 0.00 H new ATOM 0 HG3 MET A 549 1.908 1.916 -2.209 1.00 0.00 H new ATOM 0 HE1 MET A 549 3.495 2.681 -6.289 1.00 0.00 H new ATOM 0 HE2 MET A 549 4.647 1.558 -5.528 1.00 0.00 H new ATOM 0 HE3 MET A 549 2.919 1.141 -5.607 1.00 0.00 H new ATOM 195 N LYS A 550 4.193 -2.546 -2.140 1.00 0.00 N ATOM 196 CA LYS A 550 4.760 -3.701 -1.463 1.00 0.00 C ATOM 197 C LYS A 550 5.757 -4.429 -2.363 1.00 0.00 C ATOM 198 O LYS A 550 6.861 -4.764 -1.937 1.00 0.00 O ATOM 199 CB LYS A 550 3.616 -4.626 -1.026 1.00 0.00 C ATOM 200 CG LYS A 550 4.006 -6.059 -0.716 1.00 0.00 C ATOM 201 CD LYS A 550 2.927 -6.723 0.120 1.00 0.00 C ATOM 202 CE LYS A 550 3.081 -6.383 1.596 1.00 0.00 C ATOM 203 NZ LYS A 550 3.858 -7.427 2.317 1.00 0.00 N ATOM 0 H LYS A 550 3.178 -2.580 -2.235 1.00 0.00 H new ATOM 0 HA LYS A 550 5.313 -3.375 -0.582 1.00 0.00 H new ATOM 0 HB2 LYS A 550 3.146 -4.198 -0.141 1.00 0.00 H new ATOM 0 HB3 LYS A 550 2.862 -4.637 -1.813 1.00 0.00 H new ATOM 0 HG2 LYS A 550 4.152 -6.613 -1.643 1.00 0.00 H new ATOM 0 HG3 LYS A 550 4.955 -6.078 -0.181 1.00 0.00 H new ATOM 0 HD2 LYS A 550 1.945 -6.402 -0.228 1.00 0.00 H new ATOM 0 HD3 LYS A 550 2.975 -7.804 -0.013 1.00 0.00 H new ATOM 0 HE2 LYS A 550 3.581 -5.420 1.698 1.00 0.00 H new ATOM 0 HE3 LYS A 550 2.096 -6.281 2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 550 4.248 -7.026 3.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 550 3.234 -8.226 2.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 550 4.636 -7.760 1.712 1.00 0.00 H new ATOM 217 N SER A 551 5.370 -4.646 -3.610 1.00 0.00 N ATOM 218 CA SER A 551 6.226 -5.313 -4.578 1.00 0.00 C ATOM 219 C SER A 551 7.455 -4.468 -4.891 1.00 0.00 C ATOM 220 O SER A 551 8.534 -4.999 -5.117 1.00 0.00 O ATOM 221 CB SER A 551 5.448 -5.597 -5.863 1.00 0.00 C ATOM 222 OG SER A 551 6.157 -6.481 -6.717 1.00 0.00 O ATOM 0 H SER A 551 4.460 -4.367 -3.978 1.00 0.00 H new ATOM 0 HA SER A 551 6.558 -6.256 -4.144 1.00 0.00 H new ATOM 0 HB2 SER A 551 4.479 -6.029 -5.614 1.00 0.00 H new ATOM 0 HB3 SER A 551 5.255 -4.661 -6.387 1.00 0.00 H new ATOM 0 HG SER A 551 5.632 -6.643 -7.528 1.00 0.00 H new ATOM 228 N ALA A 552 7.275 -3.153 -4.920 1.00 0.00 N ATOM 229 CA ALA A 552 8.357 -2.234 -5.263 1.00 0.00 C ATOM 230 C ALA A 552 9.495 -2.282 -4.247 1.00 0.00 C ATOM 231 O ALA A 552 10.660 -2.351 -4.615 1.00 0.00 O ATOM 232 CB ALA A 552 7.824 -0.819 -5.377 1.00 0.00 C ATOM 0 H ALA A 552 6.387 -2.697 -4.710 1.00 0.00 H new ATOM 0 HA ALA A 552 8.761 -2.551 -6.224 1.00 0.00 H new ATOM 0 HB1 ALA A 552 8.639 -0.143 -5.633 1.00 0.00 H new ATOM 0 HB2 ALA A 552 7.062 -0.779 -6.155 1.00 0.00 H new ATOM 0 HB3 ALA A 552 7.387 -0.517 -4.425 1.00 0.00 H new ATOM 238 N VAL A 553 9.158 -2.253 -2.969 1.00 0.00 N ATOM 239 CA VAL A 553 10.172 -2.266 -1.918 1.00 0.00 C ATOM 240 C VAL A 553 10.746 -3.661 -1.730 1.00 0.00 C ATOM 241 O VAL A 553 11.928 -3.832 -1.436 1.00 0.00 O ATOM 242 CB VAL A 553 9.595 -1.762 -0.590 1.00 0.00 C ATOM 243 CG1 VAL A 553 9.133 -0.332 -0.760 1.00 0.00 C ATOM 244 CG2 VAL A 553 8.447 -2.644 -0.114 1.00 0.00 C ATOM 0 H VAL A 553 8.196 -2.220 -2.631 1.00 0.00 H new ATOM 0 HA VAL A 553 10.973 -1.596 -2.230 1.00 0.00 H new ATOM 0 HB VAL A 553 10.374 -1.805 0.171 1.00 0.00 H new ATOM 0 HG11 VAL A 553 8.722 0.032 0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 553 9.978 0.291 -1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 553 8.366 -0.287 -1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 553 8.060 -2.260 0.830 1.00 0.00 H new ATOM 0 HG22 VAL A 553 7.652 -2.641 -0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 553 8.806 -3.663 0.029 1.00 0.00 H new ATOM 254 N GLU A 554 9.891 -4.652 -1.899 1.00 0.00 N ATOM 255 CA GLU A 554 10.276 -6.043 -1.768 1.00 0.00 C ATOM 256 C GLU A 554 10.828 -6.593 -3.080 1.00 0.00 C ATOM 257 O GLU A 554 11.119 -7.784 -3.200 1.00 0.00 O ATOM 258 CB GLU A 554 9.069 -6.842 -1.295 1.00 0.00 C ATOM 259 CG GLU A 554 9.181 -7.290 0.148 1.00 0.00 C ATOM 260 CD GLU A 554 10.088 -8.492 0.324 1.00 0.00 C ATOM 261 OE1 GLU A 554 11.322 -8.306 0.417 1.00 0.00 O ATOM 262 OE2 GLU A 554 9.575 -9.627 0.377 1.00 0.00 O ATOM 0 H GLU A 554 8.908 -4.514 -2.132 1.00 0.00 H new ATOM 0 HA GLU A 554 11.076 -6.129 -1.033 1.00 0.00 H new ATOM 0 HB2 GLU A 554 8.171 -6.236 -1.412 1.00 0.00 H new ATOM 0 HB3 GLU A 554 8.948 -7.718 -1.933 1.00 0.00 H new ATOM 0 HG2 GLU A 554 9.559 -6.465 0.751 1.00 0.00 H new ATOM 0 HG3 GLU A 554 8.188 -7.532 0.526 1.00 0.00 H new ATOM 269 N ASP A 555 10.949 -5.719 -4.064 1.00 0.00 N ATOM 270 CA ASP A 555 11.556 -6.072 -5.343 1.00 0.00 C ATOM 271 C ASP A 555 13.020 -6.407 -5.142 1.00 0.00 C ATOM 272 O ASP A 555 13.729 -5.716 -4.414 1.00 0.00 O ATOM 273 CB ASP A 555 11.430 -4.913 -6.330 1.00 0.00 C ATOM 274 CG ASP A 555 12.000 -5.241 -7.690 1.00 0.00 C ATOM 275 OD1 ASP A 555 11.267 -5.809 -8.525 1.00 0.00 O ATOM 276 OD2 ASP A 555 13.180 -4.927 -7.938 1.00 0.00 O ATOM 0 H ASP A 555 10.633 -4.751 -4.004 1.00 0.00 H new ATOM 0 HA ASP A 555 11.035 -6.940 -5.747 1.00 0.00 H new ATOM 0 HB2 ASP A 555 10.379 -4.644 -6.436 1.00 0.00 H new ATOM 0 HB3 ASP A 555 11.943 -4.040 -5.926 1.00 0.00 H new ATOM 281 N GLU A 556 13.473 -7.467 -5.789 1.00 0.00 N ATOM 282 CA GLU A 556 14.828 -7.957 -5.592 1.00 0.00 C ATOM 283 C GLU A 556 15.877 -7.016 -6.178 1.00 0.00 C ATOM 284 O GLU A 556 17.068 -7.163 -5.905 1.00 0.00 O ATOM 285 CB GLU A 556 14.979 -9.352 -6.178 1.00 0.00 C ATOM 286 CG GLU A 556 14.565 -9.454 -7.633 1.00 0.00 C ATOM 287 CD GLU A 556 14.682 -10.865 -8.158 1.00 0.00 C ATOM 288 OE1 GLU A 556 15.766 -11.227 -8.657 1.00 0.00 O ATOM 289 OE2 GLU A 556 13.696 -11.622 -8.060 1.00 0.00 O ATOM 0 H GLU A 556 12.922 -8.006 -6.457 1.00 0.00 H new ATOM 0 HA GLU A 556 15.000 -8.000 -4.517 1.00 0.00 H new ATOM 0 HB2 GLU A 556 16.019 -9.665 -6.083 1.00 0.00 H new ATOM 0 HB3 GLU A 556 14.382 -10.049 -5.590 1.00 0.00 H new ATOM 0 HG2 GLU A 556 13.536 -9.111 -7.742 1.00 0.00 H new ATOM 0 HG3 GLU A 556 15.187 -8.791 -8.234 1.00 0.00 H new ATOM 296 N GLY A 557 15.443 -6.052 -6.975 1.00 0.00 N ATOM 297 CA GLY A 557 16.364 -5.080 -7.519 1.00 0.00 C ATOM 298 C GLY A 557 16.308 -3.780 -6.750 1.00 0.00 C ATOM 299 O GLY A 557 17.324 -3.119 -6.545 1.00 0.00 O ATOM 0 H GLY A 557 14.470 -5.926 -7.254 1.00 0.00 H new ATOM 0 HA2 GLY A 557 17.378 -5.480 -7.489 1.00 0.00 H new ATOM 0 HA3 GLY A 557 16.125 -4.896 -8.566 1.00 0.00 H new ATOM 303 N LEU A 558 15.110 -3.426 -6.312 1.00 0.00 N ATOM 304 CA LEU A 558 14.903 -2.209 -5.547 1.00 0.00 C ATOM 305 C LEU A 558 15.253 -2.397 -4.072 1.00 0.00 C ATOM 306 O LEU A 558 15.353 -1.421 -3.324 1.00 0.00 O ATOM 307 CB LEU A 558 13.470 -1.723 -5.700 1.00 0.00 C ATOM 308 CG LEU A 558 13.193 -0.951 -6.990 1.00 0.00 C ATOM 309 CD1 LEU A 558 11.703 -0.846 -7.229 1.00 0.00 C ATOM 310 CD2 LEU A 558 13.813 0.437 -6.920 1.00 0.00 C ATOM 0 H LEU A 558 14.262 -3.969 -6.475 1.00 0.00 H new ATOM 0 HA LEU A 558 15.577 -1.451 -5.947 1.00 0.00 H new ATOM 0 HB2 LEU A 558 12.802 -2.583 -5.657 1.00 0.00 H new ATOM 0 HB3 LEU A 558 13.224 -1.085 -4.851 1.00 0.00 H new ATOM 0 HG LEU A 558 13.643 -1.493 -7.822 1.00 0.00 H new ATOM 0 HD11 LEU A 558 11.520 -0.294 -8.151 1.00 0.00 H new ATOM 0 HD12 LEU A 558 11.277 -1.846 -7.314 1.00 0.00 H new ATOM 0 HD13 LEU A 558 11.237 -0.323 -6.394 1.00 0.00 H new ATOM 0 HD21 LEU A 558 13.607 0.974 -7.846 1.00 0.00 H new ATOM 0 HD22 LEU A 558 13.386 0.984 -6.080 1.00 0.00 H new ATOM 0 HD23 LEU A 558 14.891 0.348 -6.784 1.00 0.00 H new ATOM 322 N LYS A 559 15.442 -3.638 -3.642 1.00 0.00 N ATOM 323 CA LYS A 559 15.921 -3.881 -2.290 1.00 0.00 C ATOM 324 C LYS A 559 17.381 -3.448 -2.188 1.00 0.00 C ATOM 325 O LYS A 559 18.272 -4.047 -2.789 1.00 0.00 O ATOM 326 CB LYS A 559 15.741 -5.348 -1.863 1.00 0.00 C ATOM 327 CG LYS A 559 16.418 -6.377 -2.759 1.00 0.00 C ATOM 328 CD LYS A 559 16.356 -7.762 -2.133 1.00 0.00 C ATOM 329 CE LYS A 559 16.939 -8.826 -3.048 1.00 0.00 C ATOM 330 NZ LYS A 559 18.378 -8.599 -3.340 1.00 0.00 N ATOM 0 H LYS A 559 15.274 -4.476 -4.198 1.00 0.00 H new ATOM 0 HA LYS A 559 15.320 -3.288 -1.601 1.00 0.00 H new ATOM 0 HB2 LYS A 559 16.126 -5.464 -0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 559 14.674 -5.570 -1.826 1.00 0.00 H new ATOM 0 HG2 LYS A 559 15.932 -6.392 -3.735 1.00 0.00 H new ATOM 0 HG3 LYS A 559 17.458 -6.094 -2.925 1.00 0.00 H new ATOM 0 HD2 LYS A 559 16.900 -7.758 -1.189 1.00 0.00 H new ATOM 0 HD3 LYS A 559 15.320 -8.010 -1.903 1.00 0.00 H new ATOM 0 HE2 LYS A 559 16.815 -9.805 -2.586 1.00 0.00 H new ATOM 0 HE3 LYS A 559 16.380 -8.842 -3.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 559 18.865 -9.515 -3.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 559 18.473 -8.079 -4.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 559 18.805 -8.044 -2.571 1.00 0.00 H new ATOM 344 N GLY A 560 17.613 -2.385 -1.436 1.00 0.00 N ATOM 345 CA GLY A 560 18.921 -1.765 -1.409 1.00 0.00 C ATOM 346 C GLY A 560 18.846 -0.361 -1.960 1.00 0.00 C ATOM 347 O GLY A 560 19.641 0.508 -1.607 1.00 0.00 O ATOM 0 H GLY A 560 16.916 -1.938 -0.841 1.00 0.00 H new ATOM 0 HA2 GLY A 560 19.299 -1.742 -0.387 1.00 0.00 H new ATOM 0 HA3 GLY A 560 19.624 -2.356 -1.996 1.00 0.00 H new ATOM 351 N LYS A 561 17.876 -0.146 -2.838 1.00 0.00 N ATOM 352 CA LYS A 561 17.555 1.187 -3.321 1.00 0.00 C ATOM 353 C LYS A 561 16.808 1.927 -2.225 1.00 0.00 C ATOM 354 O LYS A 561 16.997 3.123 -2.009 1.00 0.00 O ATOM 355 CB LYS A 561 16.677 1.102 -4.572 1.00 0.00 C ATOM 356 CG LYS A 561 17.304 0.331 -5.724 1.00 0.00 C ATOM 357 CD LYS A 561 18.136 1.222 -6.613 1.00 0.00 C ATOM 358 CE LYS A 561 18.827 0.409 -7.690 1.00 0.00 C ATOM 359 NZ LYS A 561 19.837 -0.531 -7.132 1.00 0.00 N ATOM 0 H LYS A 561 17.294 -0.885 -3.232 1.00 0.00 H new ATOM 0 HA LYS A 561 18.473 1.715 -3.578 1.00 0.00 H new ATOM 0 HB2 LYS A 561 15.731 0.630 -4.307 1.00 0.00 H new ATOM 0 HB3 LYS A 561 16.446 2.112 -4.909 1.00 0.00 H new ATOM 0 HG2 LYS A 561 17.928 -0.470 -5.327 1.00 0.00 H new ATOM 0 HG3 LYS A 561 16.519 -0.140 -6.315 1.00 0.00 H new ATOM 0 HD2 LYS A 561 17.502 1.980 -7.073 1.00 0.00 H new ATOM 0 HD3 LYS A 561 18.879 1.749 -6.015 1.00 0.00 H new ATOM 0 HE2 LYS A 561 18.081 -0.154 -8.251 1.00 0.00 H new ATOM 0 HE3 LYS A 561 19.313 1.084 -8.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 20.463 -0.860 -7.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 20.401 -0.044 -6.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 19.353 -1.347 -6.705 1.00 0.00 H new ATOM 373 N ILE A 562 15.956 1.184 -1.533 1.00 0.00 N ATOM 374 CA ILE A 562 15.201 1.714 -0.416 1.00 0.00 C ATOM 375 C ILE A 562 15.768 1.167 0.894 1.00 0.00 C ATOM 376 O ILE A 562 16.350 0.077 0.922 1.00 0.00 O ATOM 377 CB ILE A 562 13.704 1.351 -0.537 1.00 0.00 C ATOM 378 CG1 ILE A 562 12.876 2.188 0.424 1.00 0.00 C ATOM 379 CG2 ILE A 562 13.467 -0.129 -0.272 1.00 0.00 C ATOM 380 CD1 ILE A 562 11.431 1.767 0.470 1.00 0.00 C ATOM 0 H ILE A 562 15.772 0.201 -1.732 1.00 0.00 H new ATOM 0 HA ILE A 562 15.288 2.800 -0.425 1.00 0.00 H new ATOM 0 HB ILE A 562 13.394 1.567 -1.559 1.00 0.00 H new ATOM 0 HG12 ILE A 562 13.303 2.113 1.424 1.00 0.00 H new ATOM 0 HG13 ILE A 562 12.935 3.236 0.129 1.00 0.00 H new ATOM 0 HG21 ILE A 562 12.404 -0.350 -0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 562 14.026 -0.722 -0.996 1.00 0.00 H new ATOM 0 HG23 ILE A 562 13.802 -0.376 0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 562 10.890 2.400 1.173 1.00 0.00 H new ATOM 0 HD12 ILE A 562 10.991 1.868 -0.522 1.00 0.00 H new ATOM 0 HD13 ILE A 562 11.365 0.728 0.793 1.00 0.00 H new ATOM 392 N SER A 563 15.614 1.926 1.970 1.00 0.00 N ATOM 393 CA SER A 563 16.104 1.513 3.272 1.00 0.00 C ATOM 394 C SER A 563 15.102 0.584 3.954 1.00 0.00 C ATOM 395 O SER A 563 13.907 0.643 3.649 1.00 0.00 O ATOM 396 CB SER A 563 16.384 2.745 4.134 1.00 0.00 C ATOM 397 OG SER A 563 15.635 3.861 3.676 1.00 0.00 O ATOM 0 H SER A 563 15.151 2.835 1.964 1.00 0.00 H new ATOM 0 HA SER A 563 17.034 0.960 3.142 1.00 0.00 H new ATOM 0 HB2 SER A 563 16.131 2.533 5.173 1.00 0.00 H new ATOM 0 HB3 SER A 563 17.448 2.979 4.107 1.00 0.00 H new ATOM 0 HG SER A 563 14.881 4.020 4.281 1.00 0.00 H new ATOM 403 N GLU A 564 15.575 -0.268 4.859 1.00 0.00 N ATOM 404 CA GLU A 564 14.730 -1.293 5.469 1.00 0.00 C ATOM 405 C GLU A 564 13.489 -0.685 6.094 1.00 0.00 C ATOM 406 O GLU A 564 12.386 -1.170 5.880 1.00 0.00 O ATOM 407 CB GLU A 564 15.513 -2.051 6.535 1.00 0.00 C ATOM 408 CG GLU A 564 16.829 -2.593 6.027 1.00 0.00 C ATOM 409 CD GLU A 564 17.615 -3.307 7.104 1.00 0.00 C ATOM 410 OE1 GLU A 564 17.222 -4.430 7.487 1.00 0.00 O ATOM 411 OE2 GLU A 564 18.627 -2.745 7.576 1.00 0.00 O ATOM 0 H GLU A 564 16.541 -0.270 5.187 1.00 0.00 H new ATOM 0 HA GLU A 564 14.420 -1.979 4.681 1.00 0.00 H new ATOM 0 HB2 GLU A 564 15.701 -1.388 7.380 1.00 0.00 H new ATOM 0 HB3 GLU A 564 14.905 -2.876 6.906 1.00 0.00 H new ATOM 0 HG2 GLU A 564 16.641 -3.281 5.202 1.00 0.00 H new ATOM 0 HG3 GLU A 564 17.427 -1.773 5.629 1.00 0.00 H new ATOM 418 N ALA A 565 13.677 0.395 6.839 1.00 0.00 N ATOM 419 CA ALA A 565 12.583 1.028 7.569 1.00 0.00 C ATOM 420 C ALA A 565 11.447 1.444 6.638 1.00 0.00 C ATOM 421 O ALA A 565 10.274 1.232 6.945 1.00 0.00 O ATOM 422 CB ALA A 565 13.098 2.229 8.339 1.00 0.00 C ATOM 0 H ALA A 565 14.580 0.854 6.955 1.00 0.00 H new ATOM 0 HA ALA A 565 12.182 0.295 8.269 1.00 0.00 H new ATOM 0 HB1 ALA A 565 12.274 2.695 8.880 1.00 0.00 H new ATOM 0 HB2 ALA A 565 13.862 1.907 9.047 1.00 0.00 H new ATOM 0 HB3 ALA A 565 13.529 2.950 7.644 1.00 0.00 H new ATOM 428 N ASP A 566 11.800 2.014 5.496 1.00 0.00 N ATOM 429 CA ASP A 566 10.808 2.451 4.521 1.00 0.00 C ATOM 430 C ASP A 566 10.112 1.245 3.923 1.00 0.00 C ATOM 431 O ASP A 566 8.885 1.192 3.846 1.00 0.00 O ATOM 432 CB ASP A 566 11.469 3.259 3.403 1.00 0.00 C ATOM 433 CG ASP A 566 12.260 4.446 3.918 1.00 0.00 C ATOM 434 OD1 ASP A 566 13.240 4.232 4.668 1.00 0.00 O ATOM 435 OD2 ASP A 566 11.917 5.595 3.575 1.00 0.00 O ATOM 0 H ASP A 566 12.767 2.186 5.220 1.00 0.00 H new ATOM 0 HA ASP A 566 10.080 3.083 5.030 1.00 0.00 H new ATOM 0 HB2 ASP A 566 12.132 2.607 2.834 1.00 0.00 H new ATOM 0 HB3 ASP A 566 10.701 3.612 2.715 1.00 0.00 H new ATOM 440 N LYS A 567 10.920 0.279 3.499 1.00 0.00 N ATOM 441 CA LYS A 567 10.425 -0.981 2.974 1.00 0.00 C ATOM 442 C LYS A 567 9.483 -1.658 3.974 1.00 0.00 C ATOM 443 O LYS A 567 8.385 -2.077 3.615 1.00 0.00 O ATOM 444 CB LYS A 567 11.615 -1.892 2.679 1.00 0.00 C ATOM 445 CG LYS A 567 11.225 -3.234 2.110 1.00 0.00 C ATOM 446 CD LYS A 567 12.413 -4.168 1.996 1.00 0.00 C ATOM 447 CE LYS A 567 11.969 -5.508 1.455 1.00 0.00 C ATOM 448 NZ LYS A 567 13.058 -6.513 1.447 1.00 0.00 N ATOM 0 H LYS A 567 11.937 0.351 3.511 1.00 0.00 H new ATOM 0 HA LYS A 567 9.863 -0.791 2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 567 12.281 -1.389 1.977 1.00 0.00 H new ATOM 0 HB3 LYS A 567 12.179 -2.047 3.599 1.00 0.00 H new ATOM 0 HG2 LYS A 567 10.465 -3.690 2.744 1.00 0.00 H new ATOM 0 HG3 LYS A 567 10.777 -3.095 1.126 1.00 0.00 H new ATOM 0 HD2 LYS A 567 13.166 -3.733 1.339 1.00 0.00 H new ATOM 0 HD3 LYS A 567 12.879 -4.298 2.973 1.00 0.00 H new ATOM 0 HE2 LYS A 567 11.141 -5.881 2.057 1.00 0.00 H new ATOM 0 HE3 LYS A 567 11.593 -5.379 0.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 567 12.675 -7.437 1.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 567 13.794 -6.222 0.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 567 13.470 -6.586 2.399 1.00 0.00 H new ATOM 462 N LYS A 568 9.915 -1.734 5.227 1.00 0.00 N ATOM 463 CA LYS A 568 9.126 -2.356 6.287 1.00 0.00 C ATOM 464 C LYS A 568 7.789 -1.652 6.460 1.00 0.00 C ATOM 465 O LYS A 568 6.740 -2.295 6.461 1.00 0.00 O ATOM 466 CB LYS A 568 9.872 -2.314 7.626 1.00 0.00 C ATOM 467 CG LYS A 568 11.096 -3.205 7.707 1.00 0.00 C ATOM 468 CD LYS A 568 11.834 -2.967 9.016 1.00 0.00 C ATOM 469 CE LYS A 568 13.202 -3.619 9.022 1.00 0.00 C ATOM 470 NZ LYS A 568 13.123 -5.103 9.049 1.00 0.00 N ATOM 0 H LYS A 568 10.816 -1.369 5.537 1.00 0.00 H new ATOM 0 HA LYS A 568 8.959 -3.392 5.992 1.00 0.00 H new ATOM 0 HB2 LYS A 568 10.176 -1.286 7.823 1.00 0.00 H new ATOM 0 HB3 LYS A 568 9.181 -2.599 8.419 1.00 0.00 H new ATOM 0 HG2 LYS A 568 10.799 -4.251 7.634 1.00 0.00 H new ATOM 0 HG3 LYS A 568 11.759 -3.002 6.866 1.00 0.00 H new ATOM 0 HD2 LYS A 568 11.942 -1.895 9.182 1.00 0.00 H new ATOM 0 HD3 LYS A 568 11.242 -3.359 9.843 1.00 0.00 H new ATOM 0 HE2 LYS A 568 13.756 -3.304 8.138 1.00 0.00 H new ATOM 0 HE3 LYS A 568 13.763 -3.272 9.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 14.084 -5.502 9.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 12.619 -5.408 9.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 12.612 -5.439 8.208 1.00 0.00 H new ATOM 484 N LYS A 569 7.836 -0.330 6.583 1.00 0.00 N ATOM 485 CA LYS A 569 6.656 0.441 6.923 1.00 0.00 C ATOM 486 C LYS A 569 5.609 0.334 5.823 1.00 0.00 C ATOM 487 O LYS A 569 4.424 0.158 6.099 1.00 0.00 O ATOM 488 CB LYS A 569 7.027 1.910 7.192 1.00 0.00 C ATOM 489 CG LYS A 569 7.228 2.760 5.947 1.00 0.00 C ATOM 490 CD LYS A 569 7.625 4.188 6.295 1.00 0.00 C ATOM 491 CE LYS A 569 6.429 5.049 6.694 1.00 0.00 C ATOM 492 NZ LYS A 569 5.814 4.620 7.982 1.00 0.00 N ATOM 0 H LYS A 569 8.681 0.226 6.451 1.00 0.00 H new ATOM 0 HA LYS A 569 6.227 0.029 7.837 1.00 0.00 H new ATOM 0 HB2 LYS A 569 6.243 2.362 7.799 1.00 0.00 H new ATOM 0 HB3 LYS A 569 7.943 1.936 7.783 1.00 0.00 H new ATOM 0 HG2 LYS A 569 7.999 2.311 5.321 1.00 0.00 H new ATOM 0 HG3 LYS A 569 6.308 2.771 5.362 1.00 0.00 H new ATOM 0 HD2 LYS A 569 8.345 4.172 7.113 1.00 0.00 H new ATOM 0 HD3 LYS A 569 8.125 4.641 5.439 1.00 0.00 H new ATOM 0 HE2 LYS A 569 6.747 6.088 6.776 1.00 0.00 H new ATOM 0 HE3 LYS A 569 5.677 5.007 5.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 569 5.455 5.454 8.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 569 5.028 3.967 7.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 569 6.529 4.140 8.565 1.00 0.00 H new ATOM 506 N VAL A 570 6.050 0.426 4.576 1.00 0.00 N ATOM 507 CA VAL A 570 5.133 0.354 3.459 1.00 0.00 C ATOM 508 C VAL A 570 4.574 -1.062 3.298 1.00 0.00 C ATOM 509 O VAL A 570 3.381 -1.223 3.085 1.00 0.00 O ATOM 510 CB VAL A 570 5.773 0.850 2.146 1.00 0.00 C ATOM 511 CG1 VAL A 570 6.909 -0.048 1.716 1.00 0.00 C ATOM 512 CG2 VAL A 570 4.725 0.955 1.050 1.00 0.00 C ATOM 0 H VAL A 570 7.029 0.550 4.319 1.00 0.00 H new ATOM 0 HA VAL A 570 4.304 1.026 3.683 1.00 0.00 H new ATOM 0 HB VAL A 570 6.186 1.842 2.327 1.00 0.00 H new ATOM 0 HG11 VAL A 570 7.339 0.328 0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 570 7.675 -0.062 2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 570 6.534 -1.059 1.558 1.00 0.00 H new ATOM 0 HG21 VAL A 570 5.194 1.306 0.131 1.00 0.00 H new ATOM 0 HG22 VAL A 570 4.279 -0.024 0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 570 3.950 1.659 1.354 1.00 0.00 H new ATOM 522 N LEU A 571 5.431 -2.084 3.421 1.00 0.00 N ATOM 523 CA LEU A 571 4.980 -3.477 3.340 1.00 0.00 C ATOM 524 C LEU A 571 3.933 -3.756 4.406 1.00 0.00 C ATOM 525 O LEU A 571 2.873 -4.318 4.125 1.00 0.00 O ATOM 526 CB LEU A 571 6.149 -4.453 3.545 1.00 0.00 C ATOM 527 CG LEU A 571 7.148 -4.590 2.398 1.00 0.00 C ATOM 528 CD1 LEU A 571 8.437 -5.213 2.912 1.00 0.00 C ATOM 529 CD2 LEU A 571 6.576 -5.451 1.288 1.00 0.00 C ATOM 0 H LEU A 571 6.433 -1.973 3.576 1.00 0.00 H new ATOM 0 HA LEU A 571 4.556 -3.623 2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 571 6.696 -4.144 4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 571 5.734 -5.439 3.752 1.00 0.00 H new ATOM 0 HG LEU A 571 7.354 -3.597 1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 571 9.147 -5.309 2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 571 8.864 -4.578 3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 571 8.225 -6.199 3.326 1.00 0.00 H new ATOM 0 HD21 LEU A 571 7.304 -5.535 0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 571 6.349 -6.443 1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 571 5.663 -4.994 0.907 1.00 0.00 H new ATOM 541 N ASP A 572 4.250 -3.353 5.630 1.00 0.00 N ATOM 542 CA ASP A 572 3.376 -3.567 6.776 1.00 0.00 C ATOM 543 C ASP A 572 2.042 -2.861 6.571 1.00 0.00 C ATOM 544 O ASP A 572 0.979 -3.450 6.767 1.00 0.00 O ATOM 545 CB ASP A 572 4.064 -3.051 8.041 1.00 0.00 C ATOM 546 CG ASP A 572 3.292 -3.356 9.307 1.00 0.00 C ATOM 547 OD1 ASP A 572 2.933 -4.532 9.528 1.00 0.00 O ATOM 548 OD2 ASP A 572 3.078 -2.423 10.111 1.00 0.00 O ATOM 0 H ASP A 572 5.119 -2.869 5.856 1.00 0.00 H new ATOM 0 HA ASP A 572 3.180 -4.634 6.882 1.00 0.00 H new ATOM 0 HB2 ASP A 572 5.057 -3.494 8.113 1.00 0.00 H new ATOM 0 HB3 ASP A 572 4.202 -1.973 7.958 1.00 0.00 H new ATOM 553 N LYS A 573 2.111 -1.604 6.148 1.00 0.00 N ATOM 554 CA LYS A 573 0.922 -0.814 5.849 1.00 0.00 C ATOM 555 C LYS A 573 0.146 -1.411 4.678 1.00 0.00 C ATOM 556 O LYS A 573 -1.085 -1.452 4.698 1.00 0.00 O ATOM 557 CB LYS A 573 1.333 0.632 5.559 1.00 0.00 C ATOM 558 CG LYS A 573 0.315 1.457 4.787 1.00 0.00 C ATOM 559 CD LYS A 573 -1.009 1.589 5.505 1.00 0.00 C ATOM 560 CE LYS A 573 -1.916 2.563 4.784 1.00 0.00 C ATOM 561 NZ LYS A 573 -3.250 2.664 5.430 1.00 0.00 N ATOM 0 H LYS A 573 2.989 -1.105 6.003 1.00 0.00 H new ATOM 0 HA LYS A 573 0.260 -0.827 6.714 1.00 0.00 H new ATOM 0 HB2 LYS A 573 1.536 1.131 6.506 1.00 0.00 H new ATOM 0 HB3 LYS A 573 2.267 0.621 4.998 1.00 0.00 H new ATOM 0 HG2 LYS A 573 0.724 2.451 4.606 1.00 0.00 H new ATOM 0 HG3 LYS A 573 0.149 0.998 3.812 1.00 0.00 H new ATOM 0 HD2 LYS A 573 -1.492 0.614 5.569 1.00 0.00 H new ATOM 0 HD3 LYS A 573 -0.841 1.929 6.527 1.00 0.00 H new ATOM 0 HE2 LYS A 573 -1.448 3.547 4.763 1.00 0.00 H new ATOM 0 HE3 LYS A 573 -2.038 2.246 3.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 573 -3.970 2.873 4.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 573 -3.479 1.763 5.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 573 -3.237 3.427 6.137 1.00 0.00 H new ATOM 575 N CYS A 574 0.863 -1.878 3.665 1.00 0.00 N ATOM 576 CA CYS A 574 0.234 -2.521 2.523 1.00 0.00 C ATOM 577 C CYS A 574 -0.513 -3.775 2.972 1.00 0.00 C ATOM 578 O CYS A 574 -1.607 -4.061 2.497 1.00 0.00 O ATOM 579 CB CYS A 574 1.274 -2.856 1.446 1.00 0.00 C ATOM 580 SG CYS A 574 1.966 -1.408 0.616 1.00 0.00 S ATOM 0 H CYS A 574 1.880 -1.823 3.612 1.00 0.00 H new ATOM 0 HA CYS A 574 -0.486 -1.829 2.086 1.00 0.00 H new ATOM 0 HB2 CYS A 574 2.086 -3.422 1.903 1.00 0.00 H new ATOM 0 HB3 CYS A 574 0.814 -3.504 0.700 1.00 0.00 H new ATOM 0 HG CYS A 574 2.706 -0.741 1.452 1.00 0.00 H new ATOM 586 N GLN A 575 0.078 -4.504 3.908 1.00 0.00 N ATOM 587 CA GLN A 575 -0.564 -5.677 4.486 1.00 0.00 C ATOM 588 C GLN A 575 -1.805 -5.279 5.275 1.00 0.00 C ATOM 589 O GLN A 575 -2.805 -5.993 5.260 1.00 0.00 O ATOM 590 CB GLN A 575 0.414 -6.419 5.396 1.00 0.00 C ATOM 591 CG GLN A 575 0.848 -7.771 4.854 1.00 0.00 C ATOM 592 CD GLN A 575 -0.295 -8.766 4.777 1.00 0.00 C ATOM 593 OE1 GLN A 575 -0.581 -9.478 5.741 1.00 0.00 O ATOM 594 NE2 GLN A 575 -0.943 -8.837 3.627 1.00 0.00 N ATOM 0 H GLN A 575 1.004 -4.303 4.285 1.00 0.00 H new ATOM 0 HA GLN A 575 -0.866 -6.336 3.672 1.00 0.00 H new ATOM 0 HB2 GLN A 575 1.297 -5.798 5.548 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -0.049 -6.561 6.373 1.00 0.00 H new ATOM 0 HG2 GLN A 575 1.277 -7.639 3.861 1.00 0.00 H new ATOM 0 HG3 GLN A 575 1.635 -8.177 5.489 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -0.675 -8.230 2.852 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -1.711 -9.499 3.514 1.00 0.00 H new ATOM 603 N GLU A 576 -1.734 -4.139 5.956 1.00 0.00 N ATOM 604 CA GLU A 576 -2.871 -3.623 6.712 1.00 0.00 C ATOM 605 C GLU A 576 -4.058 -3.389 5.792 1.00 0.00 C ATOM 606 O GLU A 576 -5.148 -3.917 6.017 1.00 0.00 O ATOM 607 CB GLU A 576 -2.515 -2.311 7.411 1.00 0.00 C ATOM 608 CG GLU A 576 -1.497 -2.451 8.528 1.00 0.00 C ATOM 609 CD GLU A 576 -1.123 -1.112 9.130 1.00 0.00 C ATOM 610 OE1 GLU A 576 -1.986 -0.476 9.770 1.00 0.00 O ATOM 611 OE2 GLU A 576 0.033 -0.677 8.959 1.00 0.00 O ATOM 0 H GLU A 576 -0.900 -3.554 6.000 1.00 0.00 H new ATOM 0 HA GLU A 576 -3.132 -4.367 7.464 1.00 0.00 H new ATOM 0 HB2 GLU A 576 -2.129 -1.612 6.669 1.00 0.00 H new ATOM 0 HB3 GLU A 576 -3.426 -1.872 7.819 1.00 0.00 H new ATOM 0 HG2 GLU A 576 -1.901 -3.098 9.307 1.00 0.00 H new ATOM 0 HG3 GLU A 576 -0.601 -2.937 8.142 1.00 0.00 H new ATOM 618 N VAL A 577 -3.839 -2.597 4.754 1.00 0.00 N ATOM 619 CA VAL A 577 -4.897 -2.281 3.806 1.00 0.00 C ATOM 620 C VAL A 577 -5.325 -3.511 3.009 1.00 0.00 C ATOM 621 O VAL A 577 -6.510 -3.712 2.787 1.00 0.00 O ATOM 622 CB VAL A 577 -4.507 -1.126 2.857 1.00 0.00 C ATOM 623 CG1 VAL A 577 -3.091 -1.276 2.358 1.00 0.00 C ATOM 624 CG2 VAL A 577 -5.459 -1.050 1.680 1.00 0.00 C ATOM 0 H VAL A 577 -2.940 -2.162 4.546 1.00 0.00 H new ATOM 0 HA VAL A 577 -5.749 -1.946 4.397 1.00 0.00 H new ATOM 0 HB VAL A 577 -4.574 -0.201 3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 577 -2.850 -0.447 1.693 1.00 0.00 H new ATOM 0 HG12 VAL A 577 -2.405 -1.274 3.205 1.00 0.00 H new ATOM 0 HG13 VAL A 577 -2.994 -2.216 1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 577 -5.164 -0.229 1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 577 -5.426 -1.987 1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 577 -6.473 -0.879 2.042 1.00 0.00 H new ATOM 634 N ILE A 578 -4.377 -4.339 2.598 1.00 0.00 N ATOM 635 CA ILE A 578 -4.704 -5.550 1.854 1.00 0.00 C ATOM 636 C ILE A 578 -5.584 -6.489 2.690 1.00 0.00 C ATOM 637 O ILE A 578 -6.525 -7.097 2.177 1.00 0.00 O ATOM 638 CB ILE A 578 -3.427 -6.257 1.346 1.00 0.00 C ATOM 639 CG1 ILE A 578 -2.950 -5.574 0.056 1.00 0.00 C ATOM 640 CG2 ILE A 578 -3.666 -7.742 1.118 1.00 0.00 C ATOM 641 CD1 ILE A 578 -1.544 -5.934 -0.338 1.00 0.00 C ATOM 0 H ILE A 578 -3.381 -4.198 2.765 1.00 0.00 H new ATOM 0 HA ILE A 578 -5.281 -5.261 0.976 1.00 0.00 H new ATOM 0 HB ILE A 578 -2.652 -6.172 2.108 1.00 0.00 H new ATOM 0 HG12 ILE A 578 -3.625 -5.842 -0.757 1.00 0.00 H new ATOM 0 HG13 ILE A 578 -3.016 -4.493 0.182 1.00 0.00 H new ATOM 0 HG21 ILE A 578 -2.747 -8.208 0.761 1.00 0.00 H new ATOM 0 HG22 ILE A 578 -3.970 -8.210 2.055 1.00 0.00 H new ATOM 0 HG23 ILE A 578 -4.452 -7.874 0.375 1.00 0.00 H new ATOM 0 HD11 ILE A 578 -1.279 -5.413 -1.258 1.00 0.00 H new ATOM 0 HD12 ILE A 578 -0.857 -5.640 0.456 1.00 0.00 H new ATOM 0 HD13 ILE A 578 -1.475 -7.010 -0.498 1.00 0.00 H new ATOM 653 N SER A 579 -5.305 -6.571 3.985 1.00 0.00 N ATOM 654 CA SER A 579 -6.139 -7.353 4.892 1.00 0.00 C ATOM 655 C SER A 579 -7.482 -6.659 5.117 1.00 0.00 C ATOM 656 O SER A 579 -8.493 -7.304 5.397 1.00 0.00 O ATOM 657 CB SER A 579 -5.420 -7.566 6.224 1.00 0.00 C ATOM 658 OG SER A 579 -4.149 -8.162 6.019 1.00 0.00 O ATOM 0 H SER A 579 -4.512 -6.109 4.430 1.00 0.00 H new ATOM 0 HA SER A 579 -6.326 -8.326 4.438 1.00 0.00 H new ATOM 0 HB2 SER A 579 -5.301 -6.611 6.735 1.00 0.00 H new ATOM 0 HB3 SER A 579 -6.025 -8.201 6.872 1.00 0.00 H new ATOM 0 HG SER A 579 -3.536 -7.501 5.633 1.00 0.00 H new ATOM 664 N TRP A 580 -7.483 -5.339 4.978 1.00 0.00 N ATOM 665 CA TRP A 580 -8.693 -4.540 5.103 1.00 0.00 C ATOM 666 C TRP A 580 -9.557 -4.724 3.860 1.00 0.00 C ATOM 667 O TRP A 580 -10.775 -4.783 3.941 1.00 0.00 O ATOM 668 CB TRP A 580 -8.319 -3.063 5.294 1.00 0.00 C ATOM 669 CG TRP A 580 -9.486 -2.120 5.323 1.00 0.00 C ATOM 670 CD1 TRP A 580 -10.228 -1.761 6.413 1.00 0.00 C ATOM 671 CD2 TRP A 580 -10.038 -1.406 4.208 1.00 0.00 C ATOM 672 NE1 TRP A 580 -11.211 -0.873 6.040 1.00 0.00 N ATOM 673 CE2 TRP A 580 -11.115 -0.641 4.695 1.00 0.00 C ATOM 674 CE3 TRP A 580 -9.728 -1.342 2.844 1.00 0.00 C ATOM 675 CZ2 TRP A 580 -11.880 0.178 3.865 1.00 0.00 C ATOM 676 CZ3 TRP A 580 -10.486 -0.529 2.026 1.00 0.00 C ATOM 677 CH2 TRP A 580 -11.551 0.221 2.537 1.00 0.00 C ATOM 0 H TRP A 580 -6.645 -4.794 4.776 1.00 0.00 H new ATOM 0 HA TRP A 580 -9.262 -4.867 5.973 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -7.763 -2.961 6.226 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -7.648 -2.765 4.488 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -10.067 -2.121 7.418 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -11.900 -0.455 6.665 1.00 0.00 H new ATOM 0 HE3 TRP A 580 -8.910 -1.919 2.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -12.703 0.758 4.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 -10.253 -0.471 0.973 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -12.125 0.847 1.870 1.00 0.00 H new ATOM 688 N LEU A 581 -8.903 -4.823 2.715 1.00 0.00 N ATOM 689 CA LEU A 581 -9.576 -5.082 1.445 1.00 0.00 C ATOM 690 C LEU A 581 -10.294 -6.419 1.490 1.00 0.00 C ATOM 691 O LEU A 581 -11.408 -6.567 0.987 1.00 0.00 O ATOM 692 CB LEU A 581 -8.547 -5.106 0.323 1.00 0.00 C ATOM 693 CG LEU A 581 -7.795 -3.801 0.111 1.00 0.00 C ATOM 694 CD1 LEU A 581 -6.546 -4.051 -0.700 1.00 0.00 C ATOM 695 CD2 LEU A 581 -8.683 -2.817 -0.593 1.00 0.00 C ATOM 0 H LEU A 581 -7.891 -4.727 2.635 1.00 0.00 H new ATOM 0 HA LEU A 581 -10.305 -4.292 1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 581 -7.824 -5.895 0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 581 -9.051 -5.372 -0.606 1.00 0.00 H new ATOM 0 HG LEU A 581 -7.506 -3.390 1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 581 -6.014 -3.111 -0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 581 -5.903 -4.753 -0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 581 -6.819 -4.469 -1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 581 -8.143 -1.883 -0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 581 -8.982 -3.223 -1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 581 -9.570 -2.629 0.012 1.00 0.00 H new ATOM 707 N ASP A 582 -9.627 -7.390 2.090 1.00 0.00 N ATOM 708 CA ASP A 582 -10.168 -8.734 2.239 1.00 0.00 C ATOM 709 C ASP A 582 -11.303 -8.752 3.262 1.00 0.00 C ATOM 710 O ASP A 582 -12.183 -9.612 3.221 1.00 0.00 O ATOM 711 CB ASP A 582 -9.044 -9.682 2.675 1.00 0.00 C ATOM 712 CG ASP A 582 -9.499 -11.120 2.845 1.00 0.00 C ATOM 713 OD1 ASP A 582 -9.609 -11.838 1.826 1.00 0.00 O ATOM 714 OD2 ASP A 582 -9.707 -11.554 3.999 1.00 0.00 O ATOM 0 H ASP A 582 -8.695 -7.271 2.488 1.00 0.00 H new ATOM 0 HA ASP A 582 -10.574 -9.063 1.283 1.00 0.00 H new ATOM 0 HB2 ASP A 582 -8.243 -9.647 1.937 1.00 0.00 H new ATOM 0 HB3 ASP A 582 -8.625 -9.328 3.617 1.00 0.00 H new ATOM 719 N ALA A 583 -11.284 -7.779 4.163 1.00 0.00 N ATOM 720 CA ALA A 583 -12.241 -7.726 5.258 1.00 0.00 C ATOM 721 C ALA A 583 -13.429 -6.825 4.931 1.00 0.00 C ATOM 722 O ALA A 583 -14.553 -7.071 5.372 1.00 0.00 O ATOM 723 CB ALA A 583 -11.541 -7.234 6.510 1.00 0.00 C ATOM 0 H ALA A 583 -10.612 -7.012 4.156 1.00 0.00 H new ATOM 0 HA ALA A 583 -12.631 -8.731 5.419 1.00 0.00 H new ATOM 0 HB1 ALA A 583 -12.254 -7.193 7.333 1.00 0.00 H new ATOM 0 HB2 ALA A 583 -10.731 -7.917 6.766 1.00 0.00 H new ATOM 0 HB3 ALA A 583 -11.134 -6.239 6.332 1.00 0.00 H new ATOM 729 N ASN A 584 -13.172 -5.788 4.153 1.00 0.00 N ATOM 730 CA ASN A 584 -14.195 -4.833 3.760 1.00 0.00 C ATOM 731 C ASN A 584 -14.433 -4.906 2.262 1.00 0.00 C ATOM 732 O ASN A 584 -14.473 -3.889 1.573 1.00 0.00 O ATOM 733 CB ASN A 584 -13.791 -3.410 4.167 1.00 0.00 C ATOM 734 CG ASN A 584 -13.971 -3.158 5.652 1.00 0.00 C ATOM 735 OD1 ASN A 584 -13.108 -3.488 6.465 1.00 0.00 O ATOM 736 ND2 ASN A 584 -15.089 -2.552 6.017 1.00 0.00 N ATOM 0 H ASN A 584 -12.247 -5.584 3.775 1.00 0.00 H new ATOM 0 HA ASN A 584 -15.121 -5.087 4.275 1.00 0.00 H new ATOM 0 HB2 ASN A 584 -12.749 -3.240 3.897 1.00 0.00 H new ATOM 0 HB3 ASN A 584 -14.387 -2.691 3.605 1.00 0.00 H new ATOM 0 HD21 ASN A 584 -15.258 -2.343 7.001 1.00 0.00 H new ATOM 0 HD22 ASN A 584 -15.782 -2.293 5.314 1.00 0.00 H new ATOM 743 N THR A 585 -14.594 -6.124 1.766 1.00 0.00 N ATOM 744 CA THR A 585 -14.872 -6.366 0.358 1.00 0.00 C ATOM 745 C THR A 585 -16.182 -5.703 -0.067 1.00 0.00 C ATOM 746 O THR A 585 -16.425 -5.467 -1.253 1.00 0.00 O ATOM 747 CB THR A 585 -14.964 -7.879 0.108 1.00 0.00 C ATOM 748 OG1 THR A 585 -14.482 -8.581 1.265 1.00 0.00 O ATOM 749 CG2 THR A 585 -14.145 -8.277 -1.105 1.00 0.00 C ATOM 0 H THR A 585 -14.536 -6.973 2.329 1.00 0.00 H new ATOM 0 HA THR A 585 -14.061 -5.936 -0.230 1.00 0.00 H new ATOM 0 HB THR A 585 -16.006 -8.139 -0.080 1.00 0.00 H new ATOM 0 HG1 THR A 585 -14.541 -9.547 1.110 1.00 0.00 H new ATOM 0 HG21 THR A 585 -14.226 -9.353 -1.262 1.00 0.00 H new ATOM 0 HG22 THR A 585 -14.519 -7.753 -1.985 1.00 0.00 H new ATOM 0 HG23 THR A 585 -13.100 -8.012 -0.942 1.00 0.00 H new ATOM 757 N LEU A 586 -17.017 -5.397 0.916 1.00 0.00 N ATOM 758 CA LEU A 586 -18.326 -4.815 0.662 1.00 0.00 C ATOM 759 C LEU A 586 -18.295 -3.298 0.811 1.00 0.00 C ATOM 760 O LEU A 586 -19.333 -2.639 0.761 1.00 0.00 O ATOM 761 CB LEU A 586 -19.379 -5.415 1.599 1.00 0.00 C ATOM 762 CG LEU A 586 -19.553 -6.939 1.522 1.00 0.00 C ATOM 763 CD1 LEU A 586 -19.484 -7.420 0.081 1.00 0.00 C ATOM 764 CD2 LEU A 586 -18.509 -7.654 2.357 1.00 0.00 C ATOM 0 H LEU A 586 -16.808 -5.544 1.904 1.00 0.00 H new ATOM 0 HA LEU A 586 -18.597 -5.052 -0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 586 -19.119 -5.149 2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 586 -20.339 -4.947 1.382 1.00 0.00 H new ATOM 0 HG LEU A 586 -20.538 -7.176 1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 586 -19.610 -8.502 0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 586 -20.277 -6.947 -0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 586 -18.516 -7.156 -0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 586 -18.658 -8.731 2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 586 -17.514 -7.399 1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 586 -18.603 -7.346 3.398 1.00 0.00 H new ATOM 776 N ALA A 587 -17.103 -2.750 1.015 1.00 0.00 N ATOM 777 CA ALA A 587 -16.932 -1.302 1.090 1.00 0.00 C ATOM 778 C ALA A 587 -17.237 -0.665 -0.257 1.00 0.00 C ATOM 779 O ALA A 587 -17.259 -1.342 -1.291 1.00 0.00 O ATOM 780 CB ALA A 587 -15.514 -0.950 1.516 1.00 0.00 C ATOM 0 H ALA A 587 -16.242 -3.284 1.131 1.00 0.00 H new ATOM 0 HA ALA A 587 -17.628 -0.915 1.834 1.00 0.00 H new ATOM 0 HB1 ALA A 587 -15.407 0.134 1.566 1.00 0.00 H new ATOM 0 HB2 ALA A 587 -15.311 -1.380 2.497 1.00 0.00 H new ATOM 0 HB3 ALA A 587 -14.806 -1.351 0.791 1.00 0.00 H new ATOM 786 N GLU A 588 -17.480 0.633 -0.244 1.00 0.00 N ATOM 787 CA GLU A 588 -17.737 1.358 -1.470 1.00 0.00 C ATOM 788 C GLU A 588 -16.536 2.217 -1.836 1.00 0.00 C ATOM 789 O GLU A 588 -15.527 2.212 -1.131 1.00 0.00 O ATOM 790 CB GLU A 588 -19.009 2.192 -1.353 1.00 0.00 C ATOM 791 CG GLU A 588 -20.256 1.335 -1.204 1.00 0.00 C ATOM 792 CD GLU A 588 -21.537 2.128 -1.328 1.00 0.00 C ATOM 793 OE1 GLU A 588 -22.015 2.314 -2.466 1.00 0.00 O ATOM 794 OE2 GLU A 588 -22.075 2.564 -0.291 1.00 0.00 O ATOM 0 H GLU A 588 -17.504 1.204 0.601 1.00 0.00 H new ATOM 0 HA GLU A 588 -17.894 0.639 -2.274 1.00 0.00 H new ATOM 0 HB2 GLU A 588 -18.925 2.858 -0.494 1.00 0.00 H new ATOM 0 HB3 GLU A 588 -19.109 2.822 -2.237 1.00 0.00 H new ATOM 0 HG2 GLU A 588 -20.245 0.552 -1.963 1.00 0.00 H new ATOM 0 HG3 GLU A 588 -20.235 0.839 -0.234 1.00 0.00 H new ATOM 801 N LYS A 589 -16.665 2.977 -2.915 1.00 0.00 N ATOM 802 CA LYS A 589 -15.515 3.608 -3.560 1.00 0.00 C ATOM 803 C LYS A 589 -14.700 4.491 -2.615 1.00 0.00 C ATOM 804 O LYS A 589 -13.480 4.357 -2.548 1.00 0.00 O ATOM 805 CB LYS A 589 -15.994 4.439 -4.754 1.00 0.00 C ATOM 806 CG LYS A 589 -17.197 5.323 -4.440 1.00 0.00 C ATOM 807 CD LYS A 589 -17.753 6.008 -5.681 1.00 0.00 C ATOM 808 CE LYS A 589 -17.006 7.291 -6.033 1.00 0.00 C ATOM 809 NZ LYS A 589 -15.608 7.047 -6.481 1.00 0.00 N ATOM 0 H LYS A 589 -17.558 3.174 -3.366 1.00 0.00 H new ATOM 0 HA LYS A 589 -14.854 2.805 -3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 589 -15.173 5.067 -5.102 1.00 0.00 H new ATOM 0 HB3 LYS A 589 -16.251 3.768 -5.573 1.00 0.00 H new ATOM 0 HG2 LYS A 589 -17.979 4.718 -3.981 1.00 0.00 H new ATOM 0 HG3 LYS A 589 -16.908 6.079 -3.710 1.00 0.00 H new ATOM 0 HD2 LYS A 589 -17.701 5.320 -6.524 1.00 0.00 H new ATOM 0 HD3 LYS A 589 -18.806 6.238 -5.522 1.00 0.00 H new ATOM 0 HE2 LYS A 589 -17.547 7.815 -6.820 1.00 0.00 H new ATOM 0 HE3 LYS A 589 -16.993 7.948 -5.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 -15.295 7.833 -7.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 -14.984 6.980 -5.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 -15.566 6.158 -7.019 1.00 0.00 H new ATOM 823 N ASP A 590 -15.361 5.357 -1.870 1.00 0.00 N ATOM 824 CA ASP A 590 -14.655 6.298 -1.005 1.00 0.00 C ATOM 825 C ASP A 590 -13.952 5.626 0.176 1.00 0.00 C ATOM 826 O ASP A 590 -12.962 6.160 0.680 1.00 0.00 O ATOM 827 CB ASP A 590 -15.565 7.440 -0.547 1.00 0.00 C ATOM 828 CG ASP A 590 -16.981 7.008 -0.223 1.00 0.00 C ATOM 829 OD1 ASP A 590 -17.719 6.615 -1.152 1.00 0.00 O ATOM 830 OD2 ASP A 590 -17.381 7.095 0.953 1.00 0.00 O ATOM 0 H ASP A 590 -16.378 5.433 -1.842 1.00 0.00 H new ATOM 0 HA ASP A 590 -13.864 6.730 -1.618 1.00 0.00 H new ATOM 0 HB2 ASP A 590 -15.128 7.908 0.335 1.00 0.00 H new ATOM 0 HB3 ASP A 590 -15.598 8.200 -1.327 1.00 0.00 H new ATOM 835 N GLU A 591 -14.430 4.458 0.612 1.00 0.00 N ATOM 836 CA GLU A 591 -13.709 3.700 1.637 1.00 0.00 C ATOM 837 C GLU A 591 -12.327 3.345 1.110 1.00 0.00 C ATOM 838 O GLU A 591 -11.312 3.528 1.790 1.00 0.00 O ATOM 839 CB GLU A 591 -14.444 2.409 2.044 1.00 0.00 C ATOM 840 CG GLU A 591 -15.577 2.604 3.037 1.00 0.00 C ATOM 841 CD GLU A 591 -16.693 3.470 2.507 1.00 0.00 C ATOM 842 OE1 GLU A 591 -17.426 3.016 1.602 1.00 0.00 O ATOM 843 OE2 GLU A 591 -16.847 4.606 2.999 1.00 0.00 O ATOM 0 H GLU A 591 -15.292 4.025 0.281 1.00 0.00 H new ATOM 0 HA GLU A 591 -13.640 4.329 2.525 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -14.844 1.938 1.146 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -13.720 1.716 2.472 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -15.982 1.630 3.312 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -15.180 3.052 3.948 1.00 0.00 H new ATOM 850 N PHE A 592 -12.299 2.869 -0.125 1.00 0.00 N ATOM 851 CA PHE A 592 -11.056 2.502 -0.776 1.00 0.00 C ATOM 852 C PHE A 592 -10.253 3.745 -1.132 1.00 0.00 C ATOM 853 O PHE A 592 -9.063 3.813 -0.866 1.00 0.00 O ATOM 854 CB PHE A 592 -11.327 1.689 -2.042 1.00 0.00 C ATOM 855 CG PHE A 592 -12.077 0.413 -1.797 1.00 0.00 C ATOM 856 CD1 PHE A 592 -11.415 -0.702 -1.337 1.00 0.00 C ATOM 857 CD2 PHE A 592 -13.439 0.333 -2.026 1.00 0.00 C ATOM 858 CE1 PHE A 592 -12.092 -1.885 -1.102 1.00 0.00 C ATOM 859 CE2 PHE A 592 -14.125 -0.845 -1.799 1.00 0.00 C ATOM 860 CZ PHE A 592 -13.451 -1.955 -1.336 1.00 0.00 C ATOM 0 H PHE A 592 -13.131 2.728 -0.698 1.00 0.00 H new ATOM 0 HA PHE A 592 -10.481 1.891 -0.080 1.00 0.00 H new ATOM 0 HB2 PHE A 592 -11.894 2.303 -2.742 1.00 0.00 H new ATOM 0 HB3 PHE A 592 -10.377 1.454 -2.521 1.00 0.00 H new ATOM 0 HD1 PHE A 592 -10.351 -0.653 -1.157 1.00 0.00 H new ATOM 0 HD2 PHE A 592 -13.972 1.201 -2.386 1.00 0.00 H new ATOM 0 HE1 PHE A 592 -11.560 -2.751 -0.737 1.00 0.00 H new ATOM 0 HE2 PHE A 592 -15.188 -0.896 -1.984 1.00 0.00 H new ATOM 0 HZ PHE A 592 -13.985 -2.877 -1.157 1.00 0.00 H new ATOM 870 N GLU A 593 -10.919 4.738 -1.701 1.00 0.00 N ATOM 871 CA GLU A 593 -10.249 5.953 -2.163 1.00 0.00 C ATOM 872 C GLU A 593 -9.528 6.654 -1.014 1.00 0.00 C ATOM 873 O GLU A 593 -8.400 7.129 -1.173 1.00 0.00 O ATOM 874 CB GLU A 593 -11.272 6.886 -2.820 1.00 0.00 C ATOM 875 CG GLU A 593 -11.778 6.359 -4.154 1.00 0.00 C ATOM 876 CD GLU A 593 -12.682 7.334 -4.874 1.00 0.00 C ATOM 877 OE1 GLU A 593 -13.879 7.413 -4.527 1.00 0.00 O ATOM 878 OE2 GLU A 593 -12.205 8.010 -5.809 1.00 0.00 O ATOM 0 H GLU A 593 -11.927 4.730 -1.856 1.00 0.00 H new ATOM 0 HA GLU A 593 -9.495 5.679 -2.901 1.00 0.00 H new ATOM 0 HB2 GLU A 593 -12.117 7.025 -2.145 1.00 0.00 H new ATOM 0 HB3 GLU A 593 -10.819 7.866 -2.970 1.00 0.00 H new ATOM 0 HG2 GLU A 593 -10.926 6.124 -4.792 1.00 0.00 H new ATOM 0 HG3 GLU A 593 -12.318 5.427 -3.988 1.00 0.00 H new ATOM 885 N HIS A 594 -10.158 6.681 0.150 1.00 0.00 N ATOM 886 CA HIS A 594 -9.529 7.245 1.335 1.00 0.00 C ATOM 887 C HIS A 594 -8.375 6.354 1.797 1.00 0.00 C ATOM 888 O HIS A 594 -7.331 6.850 2.223 1.00 0.00 O ATOM 889 CB HIS A 594 -10.562 7.425 2.453 1.00 0.00 C ATOM 890 CG HIS A 594 -9.987 7.868 3.767 1.00 0.00 C ATOM 891 ND1 HIS A 594 -9.822 7.015 4.836 1.00 0.00 N ATOM 892 CD2 HIS A 594 -9.548 9.079 4.185 1.00 0.00 C ATOM 893 CE1 HIS A 594 -9.308 7.681 5.853 1.00 0.00 C ATOM 894 NE2 HIS A 594 -9.133 8.934 5.484 1.00 0.00 N ATOM 0 H HIS A 594 -11.100 6.321 0.300 1.00 0.00 H new ATOM 0 HA HIS A 594 -9.125 8.226 1.085 1.00 0.00 H new ATOM 0 HB2 HIS A 594 -11.304 8.156 2.131 1.00 0.00 H new ATOM 0 HB3 HIS A 594 -11.087 6.481 2.600 1.00 0.00 H new ATOM 0 HD2 HIS A 594 -9.528 9.989 3.604 1.00 0.00 H new ATOM 0 HE1 HIS A 594 -9.071 7.269 6.823 1.00 0.00 H new ATOM 0 HE2 HIS A 594 -8.751 9.676 6.070 1.00 0.00 H new ATOM 903 N LYS A 595 -8.563 5.039 1.706 1.00 0.00 N ATOM 904 CA LYS A 595 -7.516 4.100 2.065 1.00 0.00 C ATOM 905 C LYS A 595 -6.323 4.254 1.132 1.00 0.00 C ATOM 906 O LYS A 595 -5.173 4.081 1.541 1.00 0.00 O ATOM 907 CB LYS A 595 -8.026 2.667 1.990 1.00 0.00 C ATOM 908 CG LYS A 595 -7.169 1.707 2.799 1.00 0.00 C ATOM 909 CD LYS A 595 -7.206 2.071 4.277 1.00 0.00 C ATOM 910 CE LYS A 595 -8.607 1.960 4.852 1.00 0.00 C ATOM 911 NZ LYS A 595 -8.647 2.262 6.309 1.00 0.00 N ATOM 0 H LYS A 595 -9.430 4.606 1.387 1.00 0.00 H new ATOM 0 HA LYS A 595 -7.209 4.317 3.088 1.00 0.00 H new ATOM 0 HB2 LYS A 595 -9.053 2.629 2.354 1.00 0.00 H new ATOM 0 HB3 LYS A 595 -8.045 2.344 0.949 1.00 0.00 H new ATOM 0 HG2 LYS A 595 -7.527 0.687 2.661 1.00 0.00 H new ATOM 0 HG3 LYS A 595 -6.141 1.736 2.437 1.00 0.00 H new ATOM 0 HD2 LYS A 595 -6.534 1.415 4.830 1.00 0.00 H new ATOM 0 HD3 LYS A 595 -6.839 3.089 4.410 1.00 0.00 H new ATOM 0 HE2 LYS A 595 -9.269 2.645 4.323 1.00 0.00 H new ATOM 0 HE3 LYS A 595 -8.988 0.953 4.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 595 -9.624 2.173 6.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 595 -8.036 1.592 6.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 595 -8.309 3.232 6.472 1.00 0.00 H new ATOM 925 N ARG A 596 -6.614 4.552 -0.131 1.00 0.00 N ATOM 926 CA ARG A 596 -5.580 4.779 -1.126 1.00 0.00 C ATOM 927 C ARG A 596 -4.690 5.922 -0.672 1.00 0.00 C ATOM 928 O ARG A 596 -3.471 5.794 -0.665 1.00 0.00 O ATOM 929 CB ARG A 596 -6.194 5.089 -2.502 1.00 0.00 C ATOM 930 CG ARG A 596 -5.343 4.598 -3.666 1.00 0.00 C ATOM 931 CD ARG A 596 -6.048 4.753 -5.010 1.00 0.00 C ATOM 932 NE ARG A 596 -7.400 4.196 -5.016 1.00 0.00 N ATOM 933 CZ ARG A 596 -8.166 4.141 -6.107 1.00 0.00 C ATOM 934 NH1 ARG A 596 -7.666 4.507 -7.282 1.00 0.00 N ATOM 935 NH2 ARG A 596 -9.416 3.696 -6.032 1.00 0.00 N ATOM 0 H ARG A 596 -7.565 4.642 -0.488 1.00 0.00 H new ATOM 0 HA ARG A 596 -4.984 3.872 -1.228 1.00 0.00 H new ATOM 0 HB2 ARG A 596 -7.181 4.630 -2.563 1.00 0.00 H new ATOM 0 HB3 ARG A 596 -6.337 6.166 -2.594 1.00 0.00 H new ATOM 0 HG2 ARG A 596 -4.405 5.152 -3.685 1.00 0.00 H new ATOM 0 HG3 ARG A 596 -5.090 3.549 -3.510 1.00 0.00 H new ATOM 0 HD2 ARG A 596 -6.096 5.811 -5.268 1.00 0.00 H new ATOM 0 HD3 ARG A 596 -5.456 4.263 -5.783 1.00 0.00 H new ATOM 0 HE ARG A 596 -7.777 3.831 -4.141 1.00 0.00 H new ATOM 0 HH11 ARG A 596 -6.700 4.828 -7.347 1.00 0.00 H new ATOM 0 HH12 ARG A 596 -8.248 4.467 -8.119 1.00 0.00 H new ATOM 0 HH21 ARG A 596 -9.797 3.393 -5.135 1.00 0.00 H new ATOM 0 HH22 ARG A 596 -9.995 3.657 -6.871 1.00 0.00 H new ATOM 949 N LYS A 597 -5.318 7.019 -0.243 1.00 0.00 N ATOM 950 CA LYS A 597 -4.585 8.178 0.267 1.00 0.00 C ATOM 951 C LYS A 597 -3.668 7.776 1.418 1.00 0.00 C ATOM 952 O LYS A 597 -2.522 8.213 1.493 1.00 0.00 O ATOM 953 CB LYS A 597 -5.547 9.277 0.738 1.00 0.00 C ATOM 954 CG LYS A 597 -6.539 9.746 -0.320 1.00 0.00 C ATOM 955 CD LYS A 597 -5.862 9.980 -1.662 1.00 0.00 C ATOM 956 CE LYS A 597 -4.737 10.992 -1.563 1.00 0.00 C ATOM 957 NZ LYS A 597 -3.981 11.118 -2.838 1.00 0.00 N ATOM 0 H LYS A 597 -6.332 7.128 -0.239 1.00 0.00 H new ATOM 0 HA LYS A 597 -3.980 8.568 -0.552 1.00 0.00 H new ATOM 0 HB2 LYS A 597 -6.102 8.910 1.601 1.00 0.00 H new ATOM 0 HB3 LYS A 597 -4.963 10.133 1.075 1.00 0.00 H new ATOM 0 HG2 LYS A 597 -7.327 9.002 -0.435 1.00 0.00 H new ATOM 0 HG3 LYS A 597 -7.017 10.668 0.012 1.00 0.00 H new ATOM 0 HD2 LYS A 597 -5.468 9.036 -2.039 1.00 0.00 H new ATOM 0 HD3 LYS A 597 -6.600 10.328 -2.384 1.00 0.00 H new ATOM 0 HE2 LYS A 597 -5.148 11.964 -1.289 1.00 0.00 H new ATOM 0 HE3 LYS A 597 -4.055 10.698 -0.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 597 -3.400 11.980 -2.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 597 -3.365 10.289 -2.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 597 -4.649 11.173 -3.634 1.00 0.00 H new ATOM 971 N GLU A 598 -4.187 6.928 2.294 1.00 0.00 N ATOM 972 CA GLU A 598 -3.436 6.412 3.434 1.00 0.00 C ATOM 973 C GLU A 598 -2.190 5.658 2.973 1.00 0.00 C ATOM 974 O GLU A 598 -1.064 5.926 3.413 1.00 0.00 O ATOM 975 CB GLU A 598 -4.328 5.467 4.218 1.00 0.00 C ATOM 976 CG GLU A 598 -5.521 6.145 4.853 1.00 0.00 C ATOM 977 CD GLU A 598 -5.167 6.891 6.118 1.00 0.00 C ATOM 978 OE1 GLU A 598 -5.129 6.248 7.190 1.00 0.00 O ATOM 979 OE2 GLU A 598 -4.939 8.113 6.052 1.00 0.00 O ATOM 0 H GLU A 598 -5.143 6.576 2.236 1.00 0.00 H new ATOM 0 HA GLU A 598 -3.121 7.250 4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 598 -4.681 4.679 3.553 1.00 0.00 H new ATOM 0 HB3 GLU A 598 -3.737 4.986 4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 598 -5.961 6.840 4.138 1.00 0.00 H new ATOM 0 HG3 GLU A 598 -6.281 5.397 5.079 1.00 0.00 H new ATOM 986 N LEU A 599 -2.414 4.703 2.082 1.00 0.00 N ATOM 987 CA LEU A 599 -1.345 3.880 1.533 1.00 0.00 C ATOM 988 C LEU A 599 -0.315 4.770 0.838 1.00 0.00 C ATOM 989 O LEU A 599 0.887 4.592 1.019 1.00 0.00 O ATOM 990 CB LEU A 599 -1.946 2.851 0.558 1.00 0.00 C ATOM 991 CG LEU A 599 -1.053 1.670 0.153 1.00 0.00 C ATOM 992 CD1 LEU A 599 0.085 2.116 -0.746 1.00 0.00 C ATOM 993 CD2 LEU A 599 -0.517 0.945 1.376 1.00 0.00 C ATOM 0 H LEU A 599 -3.340 4.477 1.719 1.00 0.00 H new ATOM 0 HA LEU A 599 -0.838 3.341 2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 599 -2.855 2.450 1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 599 -2.243 3.377 -0.349 1.00 0.00 H new ATOM 0 HG LEU A 599 -1.672 0.974 -0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 599 0.697 1.254 -1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 599 -0.322 2.567 -1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 599 0.699 2.848 -0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 599 0.112 0.113 1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 599 0.072 1.636 1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 599 -1.350 0.565 1.968 1.00 0.00 H new ATOM 1005 N GLU A 600 -0.794 5.739 0.065 1.00 0.00 N ATOM 1006 CA GLU A 600 0.091 6.666 -0.635 1.00 0.00 C ATOM 1007 C GLU A 600 1.010 7.397 0.337 1.00 0.00 C ATOM 1008 O GLU A 600 2.170 7.633 0.034 1.00 0.00 O ATOM 1009 CB GLU A 600 -0.708 7.680 -1.457 1.00 0.00 C ATOM 1010 CG GLU A 600 -1.568 7.046 -2.534 1.00 0.00 C ATOM 1011 CD GLU A 600 -2.088 8.053 -3.537 1.00 0.00 C ATOM 1012 OE1 GLU A 600 -3.135 8.675 -3.275 1.00 0.00 O ATOM 1013 OE2 GLU A 600 -1.442 8.225 -4.594 1.00 0.00 O ATOM 0 H GLU A 600 -1.788 5.904 -0.093 1.00 0.00 H new ATOM 0 HA GLU A 600 0.705 6.073 -1.313 1.00 0.00 H new ATOM 0 HB2 GLU A 600 -1.346 8.256 -0.787 1.00 0.00 H new ATOM 0 HB3 GLU A 600 -0.017 8.383 -1.922 1.00 0.00 H new ATOM 0 HG2 GLU A 600 -0.987 6.286 -3.057 1.00 0.00 H new ATOM 0 HG3 GLU A 600 -2.411 6.537 -2.067 1.00 0.00 H new ATOM 1020 N GLN A 601 0.492 7.756 1.502 1.00 0.00 N ATOM 1021 CA GLN A 601 1.287 8.459 2.502 1.00 0.00 C ATOM 1022 C GLN A 601 2.381 7.575 3.091 1.00 0.00 C ATOM 1023 O GLN A 601 3.443 8.072 3.460 1.00 0.00 O ATOM 1024 CB GLN A 601 0.393 8.990 3.617 1.00 0.00 C ATOM 1025 CG GLN A 601 -0.647 9.977 3.124 1.00 0.00 C ATOM 1026 CD GLN A 601 -1.507 10.540 4.237 1.00 0.00 C ATOM 1027 OE1 GLN A 601 -2.660 10.908 4.017 1.00 0.00 O ATOM 1028 NE2 GLN A 601 -0.959 10.610 5.439 1.00 0.00 N ATOM 0 H GLN A 601 -0.472 7.574 1.779 1.00 0.00 H new ATOM 0 HA GLN A 601 1.772 9.294 1.997 1.00 0.00 H new ATOM 0 HB2 GLN A 601 -0.110 8.153 4.102 1.00 0.00 H new ATOM 0 HB3 GLN A 601 1.013 9.471 4.374 1.00 0.00 H new ATOM 0 HG2 GLN A 601 -0.146 10.797 2.610 1.00 0.00 H new ATOM 0 HG3 GLN A 601 -1.287 9.485 2.391 1.00 0.00 H new ATOM 0 HE21 GLN A 601 0.001 10.295 5.581 1.00 0.00 H new ATOM 0 HE22 GLN A 601 -1.496 10.979 6.224 1.00 0.00 H new ATOM 1037 N VAL A 602 2.134 6.273 3.189 1.00 0.00 N ATOM 1038 CA VAL A 602 3.152 5.370 3.725 1.00 0.00 C ATOM 1039 C VAL A 602 4.271 5.141 2.703 1.00 0.00 C ATOM 1040 O VAL A 602 5.446 5.073 3.061 1.00 0.00 O ATOM 1041 CB VAL A 602 2.559 4.007 4.172 1.00 0.00 C ATOM 1042 CG1 VAL A 602 2.462 3.022 3.021 1.00 0.00 C ATOM 1043 CG2 VAL A 602 3.386 3.418 5.304 1.00 0.00 C ATOM 0 H VAL A 602 1.260 5.825 2.912 1.00 0.00 H new ATOM 0 HA VAL A 602 3.565 5.856 4.609 1.00 0.00 H new ATOM 0 HB VAL A 602 1.545 4.193 4.527 1.00 0.00 H new ATOM 0 HG11 VAL A 602 2.042 2.083 3.380 1.00 0.00 H new ATOM 0 HG12 VAL A 602 1.819 3.433 2.243 1.00 0.00 H new ATOM 0 HG13 VAL A 602 3.456 2.842 2.612 1.00 0.00 H new ATOM 0 HG21 VAL A 602 2.959 2.462 5.608 1.00 0.00 H new ATOM 0 HG22 VAL A 602 4.411 3.266 4.965 1.00 0.00 H new ATOM 0 HG23 VAL A 602 3.382 4.103 6.152 1.00 0.00 H new ATOM 1053 N CYS A 603 3.895 5.027 1.433 1.00 0.00 N ATOM 1054 CA CYS A 603 4.848 4.759 0.364 1.00 0.00 C ATOM 1055 C CYS A 603 5.507 6.047 -0.131 1.00 0.00 C ATOM 1056 O CYS A 603 6.609 6.013 -0.652 1.00 0.00 O ATOM 1057 CB CYS A 603 4.164 4.022 -0.791 1.00 0.00 C ATOM 1058 SG CYS A 603 2.737 4.884 -1.487 1.00 0.00 S ATOM 0 H CYS A 603 2.929 5.117 1.119 1.00 0.00 H new ATOM 0 HA CYS A 603 5.633 4.120 0.768 1.00 0.00 H new ATOM 0 HB2 CYS A 603 4.894 3.856 -1.583 1.00 0.00 H new ATOM 0 HB3 CYS A 603 3.845 3.040 -0.441 1.00 0.00 H new ATOM 0 HG CYS A 603 2.460 4.390 -2.657 1.00 0.00 H new ATOM 1064 N ASN A 604 4.820 7.177 0.028 1.00 0.00 N ATOM 1065 CA ASN A 604 5.302 8.477 -0.471 1.00 0.00 C ATOM 1066 C ASN A 604 6.763 8.764 -0.072 1.00 0.00 C ATOM 1067 O ASN A 604 7.588 9.027 -0.950 1.00 0.00 O ATOM 1068 CB ASN A 604 4.383 9.608 0.024 1.00 0.00 C ATOM 1069 CG ASN A 604 4.893 10.995 -0.317 1.00 0.00 C ATOM 1070 OD1 ASN A 604 5.453 11.227 -1.389 1.00 0.00 O ATOM 1071 ND2 ASN A 604 4.713 11.924 0.609 1.00 0.00 N ATOM 0 H ASN A 604 3.918 7.224 0.502 1.00 0.00 H new ATOM 0 HA ASN A 604 5.274 8.431 -1.560 1.00 0.00 H new ATOM 0 HB2 ASN A 604 3.392 9.477 -0.411 1.00 0.00 H new ATOM 0 HB3 ASN A 604 4.270 9.527 1.105 1.00 0.00 H new ATOM 0 HD21 ASN A 604 5.044 12.875 0.448 1.00 0.00 H new ATOM 0 HD22 ASN A 604 4.244 11.688 1.483 1.00 0.00 H new ATOM 1078 N PRO A 605 7.130 8.704 1.232 1.00 0.00 N ATOM 1079 CA PRO A 605 8.514 8.965 1.669 1.00 0.00 C ATOM 1080 C PRO A 605 9.517 8.011 1.028 1.00 0.00 C ATOM 1081 O PRO A 605 10.696 8.331 0.872 1.00 0.00 O ATOM 1082 CB PRO A 605 8.459 8.747 3.184 1.00 0.00 C ATOM 1083 CG PRO A 605 7.034 8.973 3.531 1.00 0.00 C ATOM 1084 CD PRO A 605 6.260 8.401 2.385 1.00 0.00 C ATOM 0 HA PRO A 605 8.848 9.962 1.381 1.00 0.00 H new ATOM 0 HB2 PRO A 605 8.780 7.741 3.454 1.00 0.00 H new ATOM 0 HB3 PRO A 605 9.113 9.442 3.711 1.00 0.00 H new ATOM 0 HG2 PRO A 605 6.773 8.481 4.468 1.00 0.00 H new ATOM 0 HG3 PRO A 605 6.823 10.035 3.659 1.00 0.00 H new ATOM 0 HD2 PRO A 605 6.096 7.329 2.500 1.00 0.00 H new ATOM 0 HD3 PRO A 605 5.278 8.865 2.286 1.00 0.00 H new ATOM 1092 N ILE A 606 9.027 6.851 0.636 1.00 0.00 N ATOM 1093 CA ILE A 606 9.855 5.815 0.049 1.00 0.00 C ATOM 1094 C ILE A 606 9.904 5.969 -1.481 1.00 0.00 C ATOM 1095 O ILE A 606 10.959 5.834 -2.099 1.00 0.00 O ATOM 1096 CB ILE A 606 9.328 4.416 0.464 1.00 0.00 C ATOM 1097 CG1 ILE A 606 8.634 3.714 -0.698 1.00 0.00 C ATOM 1098 CG2 ILE A 606 8.388 4.523 1.664 1.00 0.00 C ATOM 1099 CD1 ILE A 606 7.705 2.604 -0.276 1.00 0.00 C ATOM 0 H ILE A 606 8.042 6.600 0.716 1.00 0.00 H new ATOM 0 HA ILE A 606 10.874 5.916 0.423 1.00 0.00 H new ATOM 0 HB ILE A 606 10.189 3.813 0.752 1.00 0.00 H new ATOM 0 HG12 ILE A 606 8.068 4.450 -1.269 1.00 0.00 H new ATOM 0 HG13 ILE A 606 9.391 3.306 -1.367 1.00 0.00 H new ATOM 0 HG21 ILE A 606 8.031 3.530 1.937 1.00 0.00 H new ATOM 0 HG22 ILE A 606 8.923 4.961 2.507 1.00 0.00 H new ATOM 0 HG23 ILE A 606 7.539 5.155 1.406 1.00 0.00 H new ATOM 0 HD11 ILE A 606 7.250 2.155 -1.159 1.00 0.00 H new ATOM 0 HD12 ILE A 606 8.268 1.846 0.268 1.00 0.00 H new ATOM 0 HD13 ILE A 606 6.924 3.008 0.368 1.00 0.00 H new ATOM 1111 N ILE A 607 8.753 6.290 -2.072 1.00 0.00 N ATOM 1112 CA ILE A 607 8.619 6.456 -3.515 1.00 0.00 C ATOM 1113 C ILE A 607 9.435 7.648 -4.005 1.00 0.00 C ATOM 1114 O ILE A 607 9.897 7.674 -5.148 1.00 0.00 O ATOM 1115 CB ILE A 607 7.119 6.604 -3.908 1.00 0.00 C ATOM 1116 CG1 ILE A 607 6.588 5.283 -4.470 1.00 0.00 C ATOM 1117 CG2 ILE A 607 6.886 7.735 -4.899 1.00 0.00 C ATOM 1118 CD1 ILE A 607 6.652 4.134 -3.492 1.00 0.00 C ATOM 0 H ILE A 607 7.885 6.442 -1.559 1.00 0.00 H new ATOM 0 HA ILE A 607 9.012 5.563 -4.002 1.00 0.00 H new ATOM 0 HB ILE A 607 6.571 6.858 -3.001 1.00 0.00 H new ATOM 0 HG12 ILE A 607 5.554 5.423 -4.785 1.00 0.00 H new ATOM 0 HG13 ILE A 607 7.160 5.022 -5.361 1.00 0.00 H new ATOM 0 HG21 ILE A 607 5.825 7.795 -5.140 1.00 0.00 H new ATOM 0 HG22 ILE A 607 7.212 8.677 -4.459 1.00 0.00 H new ATOM 0 HG23 ILE A 607 7.454 7.544 -5.809 1.00 0.00 H new ATOM 0 HD11 ILE A 607 6.258 3.233 -3.963 1.00 0.00 H new ATOM 0 HD12 ILE A 607 7.687 3.966 -3.195 1.00 0.00 H new ATOM 0 HD13 ILE A 607 6.056 4.373 -2.611 1.00 0.00 H new ATOM 1130 N SER A 608 9.638 8.609 -3.115 1.00 0.00 N ATOM 1131 CA SER A 608 10.423 9.793 -3.423 1.00 0.00 C ATOM 1132 C SER A 608 11.874 9.414 -3.746 1.00 0.00 C ATOM 1133 O SER A 608 12.621 10.208 -4.320 1.00 0.00 O ATOM 1134 CB SER A 608 10.368 10.760 -2.236 1.00 0.00 C ATOM 1135 OG SER A 608 10.829 12.052 -2.591 1.00 0.00 O ATOM 0 H SER A 608 9.265 8.590 -2.166 1.00 0.00 H new ATOM 0 HA SER A 608 10.004 10.281 -4.303 1.00 0.00 H new ATOM 0 HB2 SER A 608 9.344 10.827 -1.868 1.00 0.00 H new ATOM 0 HB3 SER A 608 10.975 10.369 -1.419 1.00 0.00 H new ATOM 0 HG SER A 608 10.779 12.643 -1.811 1.00 0.00 H new ATOM 1141 N GLY A 609 12.262 8.193 -3.387 1.00 0.00 N ATOM 1142 CA GLY A 609 13.599 7.719 -3.682 1.00 0.00 C ATOM 1143 C GLY A 609 13.598 6.467 -4.542 1.00 0.00 C ATOM 1144 O GLY A 609 14.635 5.826 -4.716 1.00 0.00 O ATOM 0 H GLY A 609 11.670 7.523 -2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 609 14.155 8.505 -4.192 1.00 0.00 H new ATOM 0 HA3 GLY A 609 14.122 7.513 -2.748 1.00 0.00 H new ATOM 1148 N LEU A 610 12.437 6.121 -5.083 1.00 0.00 N ATOM 1149 CA LEU A 610 12.301 4.929 -5.907 1.00 0.00 C ATOM 1150 C LEU A 610 12.012 5.307 -7.352 1.00 0.00 C ATOM 1151 O LEU A 610 10.827 5.499 -7.692 1.00 0.00 O ATOM 1152 CB LEU A 610 11.185 4.028 -5.371 1.00 0.00 C ATOM 1153 CG LEU A 610 11.460 3.374 -4.016 1.00 0.00 C ATOM 1154 CD1 LEU A 610 10.316 2.453 -3.626 1.00 0.00 C ATOM 1155 CD2 LEU A 610 12.773 2.605 -4.043 1.00 0.00 C ATOM 1156 OXT LEU A 610 12.974 5.415 -8.140 1.00 0.00 O ATOM 0 H LEU A 610 11.574 6.651 -4.965 1.00 0.00 H new ATOM 0 HA LEU A 610 13.243 4.382 -5.869 1.00 0.00 H new ATOM 0 HB2 LEU A 610 10.272 4.618 -5.291 1.00 0.00 H new ATOM 0 HB3 LEU A 610 10.994 3.242 -6.102 1.00 0.00 H new ATOM 0 HG LEU A 610 11.541 4.164 -3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 610 10.530 1.997 -2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 610 9.392 3.028 -3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 610 10.204 1.673 -4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 610 12.947 2.149 -3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 610 12.723 1.827 -4.805 1.00 0.00 H new ATOM 0 HD23 LEU A 610 13.590 3.288 -4.275 1.00 0.00 H new TER 1168 LEU A 610