USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 554 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 NoAdj-H: A 596 HIS HD1 : A 596 HIS ND1 : A 701 ZNZN :(H bumps) USER MOD Set 1.1: A 586 ASN : amide:sc= 0.601 K(o=1.3,f=-6.4!) USER MOD Set 1.2: A 598 THR OG1 : rot 170:sc= 0.683 USER MOD Single : A 535 SER OG : rot 180:sc= 0 USER MOD Single : A 538 SER OG : rot 180:sc= 0 USER MOD Single : A 541 SER OG : rot 180:sc= 0.253 USER MOD Single : A 542 ASN : amide:sc=-0.00259 K(o=-0.0026,f=-0.82) USER MOD Single : A 549 LYS NZ :NH3+ -166:sc= 1.02 (180deg=0.883) USER MOD Single : A 550 TYR OH : rot 180:sc= 0 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 557 SER OG : rot 180:sc= 0 USER MOD Single : A 558 GLN : amide:sc= 0.465 K(o=0.46,f=-3.7!) USER MOD Single : A 560 MET CE :methyl 153:sc= -0.0443 (180deg=-1.22) USER MOD Single : A 563 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 570 THR OG1 : rot 180:sc= 0 USER MOD Single : A 572 THR OG1 : rot 180:sc= 0 USER MOD Single : A 575 TYR OH : rot 180:sc= 0 USER MOD Single : A 579 SER OG : rot 180:sc= 0 USER MOD Single : A 585 LYS NZ :NH3+ 175:sc= 1.01 (180deg=0.979) USER MOD Single : A 587 THR OG1 : rot 66:sc= 0.236 USER MOD Single : A 591 ASN : amide:sc=-0.00226 X(o=-0.0023,f=-0.32) USER MOD Single : A 593 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 594 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 SER OG : rot 160:sc= 0 USER MOD Single : A 600 TYR OH : rot 180:sc= 0 USER MOD Single : A 601 HIS : no HD1:sc= 0.729 K(o=0.73,f=-2.3!) USER MOD Single : A 603 THR OG1 : rot 87:sc= 0.547 USER MOD Single : A 604 SER OG : rot 180:sc= 0 USER MOD Single : A 605 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 606 ASN : amide:sc= -0.0163 K(o=-0.016,f=-0.57) USER MOD Single : A 607 SER OG : rot 180:sc= 0 USER MOD Single : A 608 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 533 1.317 3.252 7.768 1.00 0.00 N ATOM 2 CA GLY A 533 1.722 2.088 6.948 1.00 0.00 C ATOM 3 C GLY A 533 3.088 2.296 6.316 1.00 0.00 C ATOM 4 O GLY A 533 3.446 3.418 5.954 1.00 0.00 O ATOM 0 HA2 GLY A 533 1.741 1.193 7.570 1.00 0.00 H new ATOM 0 HA3 GLY A 533 0.981 1.917 6.167 1.00 0.00 H new ATOM 10 N GLY A 534 3.875 1.223 6.177 1.00 0.00 N ATOM 11 CA GLY A 534 5.221 1.259 5.584 1.00 0.00 C ATOM 12 C GLY A 534 5.213 1.469 4.062 1.00 0.00 C ATOM 13 O GLY A 534 4.414 0.859 3.344 1.00 0.00 O ATOM 0 H GLY A 534 3.592 0.290 6.477 1.00 0.00 H new ATOM 0 HA2 GLY A 534 5.794 2.060 6.051 1.00 0.00 H new ATOM 0 HA3 GLY A 534 5.735 0.325 5.812 1.00 0.00 H new ATOM 17 N SER A 535 6.109 2.328 3.566 1.00 0.00 N ATOM 18 CA SER A 535 6.263 2.656 2.139 1.00 0.00 C ATOM 19 C SER A 535 6.900 1.518 1.327 1.00 0.00 C ATOM 20 O SER A 535 7.790 0.815 1.811 1.00 0.00 O ATOM 21 CB SER A 535 7.118 3.923 1.969 1.00 0.00 C ATOM 22 OG SER A 535 6.560 5.017 2.686 1.00 0.00 O ATOM 0 H SER A 535 6.768 2.831 4.161 1.00 0.00 H new ATOM 0 HA SER A 535 5.256 2.818 1.755 1.00 0.00 H new ATOM 0 HB2 SER A 535 8.131 3.732 2.322 1.00 0.00 H new ATOM 0 HB3 SER A 535 7.191 4.177 0.911 1.00 0.00 H new ATOM 0 HG SER A 535 7.123 5.810 2.563 1.00 0.00 H new ATOM 28 N GLU A 536 6.492 1.361 0.065 1.00 0.00 N ATOM 29 CA GLU A 536 7.108 0.429 -0.896 1.00 0.00 C ATOM 30 C GLU A 536 8.365 1.053 -1.545 1.00 0.00 C ATOM 31 O GLU A 536 8.308 1.665 -2.616 1.00 0.00 O ATOM 32 CB GLU A 536 6.049 -0.026 -1.920 1.00 0.00 C ATOM 33 CG GLU A 536 6.587 -1.101 -2.882 1.00 0.00 C ATOM 34 CD GLU A 536 5.481 -1.740 -3.751 1.00 0.00 C ATOM 35 OE1 GLU A 536 4.542 -1.034 -4.197 1.00 0.00 O ATOM 36 OE2 GLU A 536 5.554 -2.965 -4.020 1.00 0.00 O ATOM 0 H GLU A 536 5.711 1.885 -0.329 1.00 0.00 H new ATOM 0 HA GLU A 536 7.459 -0.463 -0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 536 5.180 -0.418 -1.391 1.00 0.00 H new ATOM 0 HB3 GLU A 536 5.710 0.836 -2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 536 7.340 -0.655 -3.532 1.00 0.00 H new ATOM 0 HG3 GLU A 536 7.085 -1.881 -2.305 1.00 0.00 H new ATOM 43 N PHE A 537 9.508 0.939 -0.860 1.00 0.00 N ATOM 44 CA PHE A 537 10.814 1.441 -1.313 1.00 0.00 C ATOM 45 C PHE A 537 11.433 0.571 -2.432 1.00 0.00 C ATOM 46 O PHE A 537 11.060 -0.593 -2.606 1.00 0.00 O ATOM 47 CB PHE A 537 11.737 1.553 -0.086 1.00 0.00 C ATOM 48 CG PHE A 537 13.066 2.241 -0.347 1.00 0.00 C ATOM 49 CD1 PHE A 537 13.109 3.638 -0.529 1.00 0.00 C ATOM 50 CD2 PHE A 537 14.256 1.492 -0.421 1.00 0.00 C ATOM 51 CE1 PHE A 537 14.332 4.280 -0.799 1.00 0.00 C ATOM 52 CE2 PHE A 537 15.479 2.135 -0.690 1.00 0.00 C ATOM 53 CZ PHE A 537 15.518 3.528 -0.880 1.00 0.00 C ATOM 0 H PHE A 537 9.554 0.482 0.051 1.00 0.00 H new ATOM 0 HA PHE A 537 10.682 2.424 -1.764 1.00 0.00 H new ATOM 0 HB2 PHE A 537 11.211 2.097 0.698 1.00 0.00 H new ATOM 0 HB3 PHE A 537 11.932 0.551 0.297 1.00 0.00 H new ATOM 0 HD1 PHE A 537 12.200 4.218 -0.461 1.00 0.00 H new ATOM 0 HD2 PHE A 537 14.230 0.423 -0.271 1.00 0.00 H new ATOM 0 HE1 PHE A 537 14.360 5.350 -0.944 1.00 0.00 H new ATOM 0 HE2 PHE A 537 16.389 1.557 -0.751 1.00 0.00 H new ATOM 0 HZ PHE A 537 16.457 4.019 -1.088 1.00 0.00 H new ATOM 63 N SER A 538 12.402 1.118 -3.177 1.00 0.00 N ATOM 64 CA SER A 538 13.138 0.433 -4.254 1.00 0.00 C ATOM 65 C SER A 538 14.624 0.830 -4.287 1.00 0.00 C ATOM 66 O SER A 538 14.980 1.991 -4.074 1.00 0.00 O ATOM 67 CB SER A 538 12.460 0.685 -5.613 1.00 0.00 C ATOM 68 OG SER A 538 12.380 2.069 -5.934 1.00 0.00 O ATOM 0 H SER A 538 12.708 2.082 -3.044 1.00 0.00 H new ATOM 0 HA SER A 538 13.107 -0.636 -4.045 1.00 0.00 H new ATOM 0 HB2 SER A 538 13.015 0.166 -6.394 1.00 0.00 H new ATOM 0 HB3 SER A 538 11.456 0.260 -5.599 1.00 0.00 H new ATOM 0 HG SER A 538 11.944 2.178 -6.805 1.00 0.00 H new ATOM 74 N ASP A 539 15.506 -0.140 -4.548 1.00 0.00 N ATOM 75 CA ASP A 539 16.969 0.026 -4.523 1.00 0.00 C ATOM 76 C ASP A 539 17.528 0.823 -5.720 1.00 0.00 C ATOM 77 O ASP A 539 17.007 0.753 -6.838 1.00 0.00 O ATOM 78 CB ASP A 539 17.654 -1.350 -4.446 1.00 0.00 C ATOM 79 CG ASP A 539 17.343 -2.265 -5.648 1.00 0.00 C ATOM 80 OD1 ASP A 539 16.197 -2.763 -5.765 1.00 0.00 O ATOM 81 OD2 ASP A 539 18.265 -2.524 -6.460 1.00 0.00 O ATOM 0 H ASP A 539 15.218 -1.088 -4.789 1.00 0.00 H new ATOM 0 HA ASP A 539 17.192 0.614 -3.633 1.00 0.00 H new ATOM 0 HB2 ASP A 539 18.732 -1.206 -4.380 1.00 0.00 H new ATOM 0 HB3 ASP A 539 17.342 -1.851 -3.529 1.00 0.00 H new ATOM 86 N ARG A 540 18.628 1.555 -5.483 1.00 0.00 N ATOM 87 CA ARG A 540 19.377 2.309 -6.511 1.00 0.00 C ATOM 88 C ARG A 540 20.483 1.479 -7.176 1.00 0.00 C ATOM 89 O ARG A 540 20.702 1.608 -8.380 1.00 0.00 O ATOM 90 CB ARG A 540 19.987 3.584 -5.890 1.00 0.00 C ATOM 91 CG ARG A 540 18.965 4.574 -5.295 1.00 0.00 C ATOM 92 CD ARG A 540 18.026 5.203 -6.335 1.00 0.00 C ATOM 93 NE ARG A 540 18.760 6.063 -7.287 1.00 0.00 N ATOM 94 CZ ARG A 540 18.265 6.661 -8.357 1.00 0.00 C ATOM 95 NH1 ARG A 540 17.011 6.557 -8.698 1.00 0.00 N ATOM 96 NH2 ARG A 540 19.034 7.390 -9.112 1.00 0.00 N ATOM 0 H ARG A 540 19.034 1.644 -4.551 1.00 0.00 H new ATOM 0 HA ARG A 540 18.662 2.573 -7.290 1.00 0.00 H new ATOM 0 HB2 ARG A 540 20.684 3.290 -5.105 1.00 0.00 H new ATOM 0 HB3 ARG A 540 20.567 4.100 -6.655 1.00 0.00 H new ATOM 0 HG2 ARG A 540 18.366 4.056 -4.546 1.00 0.00 H new ATOM 0 HG3 ARG A 540 19.503 5.369 -4.778 1.00 0.00 H new ATOM 0 HD2 ARG A 540 17.509 4.415 -6.882 1.00 0.00 H new ATOM 0 HD3 ARG A 540 17.263 5.792 -5.827 1.00 0.00 H new ATOM 0 HE ARG A 540 19.752 6.210 -7.099 1.00 0.00 H new ATOM 0 HH11 ARG A 540 16.373 5.998 -8.131 1.00 0.00 H new ATOM 0 HH12 ARG A 540 16.668 7.034 -9.532 1.00 0.00 H new ATOM 0 HH21 ARG A 540 20.021 7.501 -8.879 1.00 0.00 H new ATOM 0 HH22 ARG A 540 18.650 7.851 -9.937 1.00 0.00 H new ATOM 110 N SER A 541 21.197 0.659 -6.397 1.00 0.00 N ATOM 111 CA SER A 541 22.381 -0.106 -6.824 1.00 0.00 C ATOM 112 C SER A 541 22.751 -1.217 -5.829 1.00 0.00 C ATOM 113 O SER A 541 22.533 -1.072 -4.624 1.00 0.00 O ATOM 114 CB SER A 541 23.578 0.852 -6.953 1.00 0.00 C ATOM 115 OG SER A 541 24.760 0.158 -7.322 1.00 0.00 O ATOM 0 H SER A 541 20.961 0.502 -5.417 1.00 0.00 H new ATOM 0 HA SER A 541 22.141 -0.575 -7.778 1.00 0.00 H new ATOM 0 HB2 SER A 541 23.356 1.616 -7.698 1.00 0.00 H new ATOM 0 HB3 SER A 541 23.737 1.367 -6.006 1.00 0.00 H new ATOM 0 HG SER A 541 25.502 0.793 -7.398 1.00 0.00 H new ATOM 121 N ASN A 542 23.397 -2.289 -6.305 1.00 0.00 N ATOM 122 CA ASN A 542 24.017 -3.321 -5.460 1.00 0.00 C ATOM 123 C ASN A 542 25.202 -2.786 -4.625 1.00 0.00 C ATOM 124 O ASN A 542 25.613 -3.436 -3.666 1.00 0.00 O ATOM 125 CB ASN A 542 24.450 -4.513 -6.335 1.00 0.00 C ATOM 126 CG ASN A 542 25.525 -4.155 -7.350 1.00 0.00 C ATOM 127 OD1 ASN A 542 25.263 -3.541 -8.375 1.00 0.00 O ATOM 128 ND2 ASN A 542 26.764 -4.519 -7.104 1.00 0.00 N ATOM 0 H ASN A 542 23.506 -2.468 -7.303 1.00 0.00 H new ATOM 0 HA ASN A 542 23.268 -3.649 -4.740 1.00 0.00 H new ATOM 0 HB2 ASN A 542 24.819 -5.312 -5.692 1.00 0.00 H new ATOM 0 HB3 ASN A 542 23.579 -4.904 -6.861 1.00 0.00 H new ATOM 0 HD21 ASN A 542 27.504 -4.289 -7.767 1.00 0.00 H new ATOM 0 HD22 ASN A 542 26.985 -5.031 -6.250 1.00 0.00 H new ATOM 135 N GLU A 543 25.739 -1.598 -4.926 1.00 0.00 N ATOM 136 CA GLU A 543 26.762 -0.949 -4.089 1.00 0.00 C ATOM 137 C GLU A 543 26.227 -0.486 -2.718 1.00 0.00 C ATOM 138 O GLU A 543 27.007 -0.333 -1.778 1.00 0.00 O ATOM 139 CB GLU A 543 27.429 0.208 -4.853 1.00 0.00 C ATOM 140 CG GLU A 543 28.197 -0.302 -6.087 1.00 0.00 C ATOM 141 CD GLU A 543 29.264 0.701 -6.570 1.00 0.00 C ATOM 142 OE1 GLU A 543 28.934 1.880 -6.850 1.00 0.00 O ATOM 143 OE2 GLU A 543 30.453 0.310 -6.680 1.00 0.00 O ATOM 0 H GLU A 543 25.480 -1.059 -5.752 1.00 0.00 H new ATOM 0 HA GLU A 543 27.515 -1.706 -3.871 1.00 0.00 H new ATOM 0 HB2 GLU A 543 26.670 0.925 -5.166 1.00 0.00 H new ATOM 0 HB3 GLU A 543 28.113 0.737 -4.190 1.00 0.00 H new ATOM 0 HG2 GLU A 543 28.676 -1.251 -5.847 1.00 0.00 H new ATOM 0 HG3 GLU A 543 27.492 -0.496 -6.896 1.00 0.00 H new ATOM 150 N LEU A 544 24.904 -0.329 -2.560 1.00 0.00 N ATOM 151 CA LEU A 544 24.263 -0.100 -1.256 1.00 0.00 C ATOM 152 C LEU A 544 24.262 -1.374 -0.392 1.00 0.00 C ATOM 153 O LEU A 544 24.483 -1.316 0.817 1.00 0.00 O ATOM 154 CB LEU A 544 22.815 0.385 -1.455 1.00 0.00 C ATOM 155 CG LEU A 544 22.637 1.679 -2.267 1.00 0.00 C ATOM 156 CD1 LEU A 544 21.147 2.012 -2.346 1.00 0.00 C ATOM 157 CD2 LEU A 544 23.356 2.870 -1.633 1.00 0.00 C ATOM 0 H LEU A 544 24.245 -0.358 -3.338 1.00 0.00 H new ATOM 0 HA LEU A 544 24.841 0.664 -0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 544 22.253 -0.408 -1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 544 22.365 0.532 -0.473 1.00 0.00 H new ATOM 0 HG LEU A 544 23.067 1.507 -3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 544 21.009 2.928 -2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 544 20.617 1.194 -2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 544 20.751 2.151 -1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 544 23.199 3.758 -2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 544 22.959 3.044 -0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 544 24.423 2.658 -1.568 1.00 0.00 H new ATOM 169 N GLU A 545 24.053 -2.536 -1.019 1.00 0.00 N ATOM 170 CA GLU A 545 23.973 -3.854 -0.368 1.00 0.00 C ATOM 171 C GLU A 545 25.319 -4.330 0.213 1.00 0.00 C ATOM 172 O GLU A 545 25.333 -5.206 1.080 1.00 0.00 O ATOM 173 CB GLU A 545 23.365 -4.840 -1.387 1.00 0.00 C ATOM 174 CG GLU A 545 23.244 -6.312 -0.961 1.00 0.00 C ATOM 175 CD GLU A 545 22.411 -6.587 0.309 1.00 0.00 C ATOM 176 OE1 GLU A 545 21.601 -5.736 0.750 1.00 0.00 O ATOM 177 OE2 GLU A 545 22.548 -7.711 0.848 1.00 0.00 O ATOM 0 H GLU A 545 23.930 -2.590 -2.030 1.00 0.00 H new ATOM 0 HA GLU A 545 23.329 -3.790 0.509 1.00 0.00 H new ATOM 0 HB2 GLU A 545 22.369 -4.482 -1.649 1.00 0.00 H new ATOM 0 HB3 GLU A 545 23.967 -4.800 -2.295 1.00 0.00 H new ATOM 0 HG2 GLU A 545 22.806 -6.873 -1.786 1.00 0.00 H new ATOM 0 HG3 GLU A 545 24.248 -6.707 -0.805 1.00 0.00 H new ATOM 184 N ILE A 546 26.443 -3.710 -0.174 1.00 0.00 N ATOM 185 CA ILE A 546 27.784 -3.955 0.387 1.00 0.00 C ATOM 186 C ILE A 546 27.798 -3.735 1.912 1.00 0.00 C ATOM 187 O ILE A 546 28.369 -4.538 2.649 1.00 0.00 O ATOM 188 CB ILE A 546 28.835 -3.051 -0.313 1.00 0.00 C ATOM 189 CG1 ILE A 546 28.902 -3.248 -1.850 1.00 0.00 C ATOM 190 CG2 ILE A 546 30.231 -3.234 0.299 1.00 0.00 C ATOM 191 CD1 ILE A 546 29.516 -4.570 -2.339 1.00 0.00 C ATOM 0 H ILE A 546 26.447 -3.002 -0.908 1.00 0.00 H new ATOM 0 HA ILE A 546 28.046 -4.997 0.202 1.00 0.00 H new ATOM 0 HB ILE A 546 28.495 -2.030 -0.139 1.00 0.00 H new ATOM 0 HG12 ILE A 546 27.891 -3.171 -2.250 1.00 0.00 H new ATOM 0 HG13 ILE A 546 29.476 -2.425 -2.276 1.00 0.00 H new ATOM 0 HG21 ILE A 546 30.941 -2.586 -0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 546 30.202 -2.973 1.357 1.00 0.00 H new ATOM 0 HG23 ILE A 546 30.543 -4.273 0.190 1.00 0.00 H new ATOM 0 HD11 ILE A 546 29.509 -4.593 -3.429 1.00 0.00 H new ATOM 0 HD12 ILE A 546 30.543 -4.649 -1.981 1.00 0.00 H new ATOM 0 HD13 ILE A 546 28.933 -5.406 -1.954 1.00 0.00 H new ATOM 203 N ARG A 547 27.124 -2.678 2.396 1.00 0.00 N ATOM 204 CA ARG A 547 26.978 -2.364 3.833 1.00 0.00 C ATOM 205 C ARG A 547 26.160 -3.423 4.580 1.00 0.00 C ATOM 206 O ARG A 547 26.470 -3.757 5.725 1.00 0.00 O ATOM 207 CB ARG A 547 26.285 -0.998 4.017 1.00 0.00 C ATOM 208 CG ARG A 547 26.886 0.184 3.237 1.00 0.00 C ATOM 209 CD ARG A 547 28.367 0.435 3.544 1.00 0.00 C ATOM 210 NE ARG A 547 28.850 1.638 2.832 1.00 0.00 N ATOM 211 CZ ARG A 547 28.962 2.866 3.309 1.00 0.00 C ATOM 212 NH1 ARG A 547 28.628 3.170 4.533 1.00 0.00 N ATOM 213 NH2 ARG A 547 29.408 3.827 2.554 1.00 0.00 N ATOM 0 H ARG A 547 26.656 -2.004 1.791 1.00 0.00 H new ATOM 0 HA ARG A 547 27.985 -2.343 4.249 1.00 0.00 H new ATOM 0 HB2 ARG A 547 25.240 -1.103 3.726 1.00 0.00 H new ATOM 0 HB3 ARG A 547 26.297 -0.749 5.078 1.00 0.00 H new ATOM 0 HG2 ARG A 547 26.772 -0.001 2.169 1.00 0.00 H new ATOM 0 HG3 ARG A 547 26.318 1.086 3.467 1.00 0.00 H new ATOM 0 HD2 ARG A 547 28.505 0.562 4.618 1.00 0.00 H new ATOM 0 HD3 ARG A 547 28.957 -0.432 3.247 1.00 0.00 H new ATOM 0 HE ARG A 547 29.129 1.505 1.860 1.00 0.00 H new ATOM 0 HH11 ARG A 547 28.266 2.449 5.157 1.00 0.00 H new ATOM 0 HH12 ARG A 547 28.728 4.129 4.866 1.00 0.00 H new ATOM 0 HH21 ARG A 547 29.674 3.635 1.588 1.00 0.00 H new ATOM 0 HH22 ARG A 547 29.492 4.772 2.928 1.00 0.00 H new ATOM 227 N GLY A 548 25.139 -3.957 3.905 1.00 0.00 N ATOM 228 CA GLY A 548 24.215 -4.979 4.400 1.00 0.00 C ATOM 229 C GLY A 548 24.851 -6.353 4.609 1.00 0.00 C ATOM 230 O GLY A 548 24.271 -7.190 5.303 1.00 0.00 O ATOM 0 H GLY A 548 24.924 -3.673 2.949 1.00 0.00 H new ATOM 0 HA2 GLY A 548 23.790 -4.641 5.345 1.00 0.00 H new ATOM 0 HA3 GLY A 548 23.389 -5.077 3.696 1.00 0.00 H new ATOM 234 N LYS A 549 26.056 -6.594 4.072 1.00 0.00 N ATOM 235 CA LYS A 549 26.866 -7.776 4.399 1.00 0.00 C ATOM 236 C LYS A 549 27.508 -7.565 5.772 1.00 0.00 C ATOM 237 O LYS A 549 28.539 -6.904 5.924 1.00 0.00 O ATOM 238 CB LYS A 549 27.919 -8.062 3.319 1.00 0.00 C ATOM 239 CG LYS A 549 27.397 -8.118 1.866 1.00 0.00 C ATOM 240 CD LYS A 549 26.147 -9.001 1.687 1.00 0.00 C ATOM 241 CE LYS A 549 25.772 -9.076 0.204 1.00 0.00 C ATOM 242 NZ LYS A 549 24.444 -9.704 0.006 1.00 0.00 N ATOM 0 H LYS A 549 26.498 -5.971 3.396 1.00 0.00 H new ATOM 0 HA LYS A 549 26.222 -8.655 4.432 1.00 0.00 H new ATOM 0 HB2 LYS A 549 28.690 -7.294 3.378 1.00 0.00 H new ATOM 0 HB3 LYS A 549 28.398 -9.013 3.549 1.00 0.00 H new ATOM 0 HG2 LYS A 549 27.166 -7.106 1.534 1.00 0.00 H new ATOM 0 HG3 LYS A 549 28.190 -8.492 1.219 1.00 0.00 H new ATOM 0 HD2 LYS A 549 26.339 -10.002 2.074 1.00 0.00 H new ATOM 0 HD3 LYS A 549 25.316 -8.591 2.261 1.00 0.00 H new ATOM 0 HE2 LYS A 549 25.767 -8.072 -0.221 1.00 0.00 H new ATOM 0 HE3 LYS A 549 26.529 -9.647 -0.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 549 24.324 -9.954 -0.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 549 24.376 -10.563 0.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 549 23.699 -9.036 0.287 1.00 0.00 H new ATOM 256 N TYR A 550 26.821 -8.103 6.771 1.00 0.00 N ATOM 257 CA TYR A 550 27.285 -8.232 8.147 1.00 0.00 C ATOM 258 C TYR A 550 27.661 -9.678 8.488 1.00 0.00 C ATOM 259 O TYR A 550 27.244 -10.627 7.817 1.00 0.00 O ATOM 260 CB TYR A 550 26.245 -7.673 9.140 1.00 0.00 C ATOM 261 CG TYR A 550 24.862 -8.305 9.125 1.00 0.00 C ATOM 262 CD1 TYR A 550 23.803 -7.652 8.462 1.00 0.00 C ATOM 263 CD2 TYR A 550 24.615 -9.502 9.831 1.00 0.00 C ATOM 264 CE1 TYR A 550 22.502 -8.190 8.497 1.00 0.00 C ATOM 265 CE2 TYR A 550 23.315 -10.048 9.863 1.00 0.00 C ATOM 266 CZ TYR A 550 22.255 -9.395 9.192 1.00 0.00 C ATOM 267 OH TYR A 550 21.005 -9.938 9.219 1.00 0.00 O ATOM 0 H TYR A 550 25.882 -8.479 6.639 1.00 0.00 H new ATOM 0 HA TYR A 550 28.191 -7.634 8.241 1.00 0.00 H new ATOM 0 HB2 TYR A 550 26.651 -7.772 10.147 1.00 0.00 H new ATOM 0 HB3 TYR A 550 26.131 -6.606 8.946 1.00 0.00 H new ATOM 0 HD1 TYR A 550 23.990 -6.734 7.924 1.00 0.00 H new ATOM 0 HD2 TYR A 550 25.422 -10.000 10.347 1.00 0.00 H new ATOM 0 HE1 TYR A 550 21.693 -7.682 7.993 1.00 0.00 H new ATOM 0 HE2 TYR A 550 23.129 -10.966 10.401 1.00 0.00 H new ATOM 0 HH TYR A 550 21.020 -10.767 9.742 1.00 0.00 H new ATOM 277 N VAL A 551 28.430 -9.817 9.567 1.00 0.00 N ATOM 278 CA VAL A 551 28.797 -11.090 10.207 1.00 0.00 C ATOM 279 C VAL A 551 28.477 -11.030 11.700 1.00 0.00 C ATOM 280 O VAL A 551 28.621 -9.977 12.318 1.00 0.00 O ATOM 281 CB VAL A 551 30.276 -11.455 9.934 1.00 0.00 C ATOM 282 CG1 VAL A 551 30.451 -11.976 8.507 1.00 0.00 C ATOM 283 CG2 VAL A 551 31.270 -10.312 10.160 1.00 0.00 C ATOM 0 H VAL A 551 28.835 -9.012 10.044 1.00 0.00 H new ATOM 0 HA VAL A 551 28.202 -11.891 9.769 1.00 0.00 H new ATOM 0 HB VAL A 551 30.507 -12.227 10.668 1.00 0.00 H new ATOM 0 HG11 VAL A 551 31.498 -12.226 8.337 1.00 0.00 H new ATOM 0 HG12 VAL A 551 29.838 -12.866 8.367 1.00 0.00 H new ATOM 0 HG13 VAL A 551 30.142 -11.207 7.799 1.00 0.00 H new ATOM 0 HG21 VAL A 551 32.280 -10.660 9.944 1.00 0.00 H new ATOM 0 HG22 VAL A 551 31.024 -9.480 9.500 1.00 0.00 H new ATOM 0 HG23 VAL A 551 31.214 -9.981 11.197 1.00 0.00 H new ATOM 293 N VAL A 552 28.002 -12.127 12.290 1.00 0.00 N ATOM 294 CA VAL A 552 27.592 -12.163 13.707 1.00 0.00 C ATOM 295 C VAL A 552 28.809 -12.035 14.627 1.00 0.00 C ATOM 296 O VAL A 552 29.830 -12.682 14.406 1.00 0.00 O ATOM 297 CB VAL A 552 26.764 -13.433 14.016 1.00 0.00 C ATOM 298 CG1 VAL A 552 26.380 -13.554 15.496 1.00 0.00 C ATOM 299 CG2 VAL A 552 25.457 -13.435 13.202 1.00 0.00 C ATOM 0 H VAL A 552 27.888 -13.018 11.806 1.00 0.00 H new ATOM 0 HA VAL A 552 26.946 -11.306 13.899 1.00 0.00 H new ATOM 0 HB VAL A 552 27.404 -14.273 13.748 1.00 0.00 H new ATOM 0 HG11 VAL A 552 25.801 -14.465 15.648 1.00 0.00 H new ATOM 0 HG12 VAL A 552 27.284 -13.593 16.104 1.00 0.00 H new ATOM 0 HG13 VAL A 552 25.782 -12.691 15.789 1.00 0.00 H new ATOM 0 HG21 VAL A 552 24.887 -14.335 13.431 1.00 0.00 H new ATOM 0 HG22 VAL A 552 24.866 -12.556 13.460 1.00 0.00 H new ATOM 0 HG23 VAL A 552 25.691 -13.415 12.138 1.00 0.00 H new ATOM 309 N VAL A 553 28.713 -11.201 15.672 1.00 0.00 N ATOM 310 CA VAL A 553 29.737 -11.075 16.723 1.00 0.00 C ATOM 311 C VAL A 553 29.757 -12.371 17.563 1.00 0.00 C ATOM 312 O VAL A 553 28.728 -12.718 18.154 1.00 0.00 O ATOM 313 CB VAL A 553 29.478 -9.851 17.628 1.00 0.00 C ATOM 314 CG1 VAL A 553 30.504 -9.789 18.759 1.00 0.00 C ATOM 315 CG2 VAL A 553 29.586 -8.520 16.890 1.00 0.00 C ATOM 0 H VAL A 553 27.912 -10.586 15.814 1.00 0.00 H new ATOM 0 HA VAL A 553 30.707 -10.925 16.248 1.00 0.00 H new ATOM 0 HB VAL A 553 28.461 -9.985 17.997 1.00 0.00 H new ATOM 0 HG11 VAL A 553 30.304 -8.919 19.385 1.00 0.00 H new ATOM 0 HG12 VAL A 553 30.435 -10.694 19.363 1.00 0.00 H new ATOM 0 HG13 VAL A 553 31.506 -9.709 18.337 1.00 0.00 H new ATOM 0 HG21 VAL A 553 29.393 -7.702 17.584 1.00 0.00 H new ATOM 0 HG22 VAL A 553 30.588 -8.414 16.475 1.00 0.00 H new ATOM 0 HG23 VAL A 553 28.854 -8.491 16.083 1.00 0.00 H new ATOM 325 N PRO A 554 30.879 -13.111 17.631 1.00 0.00 N ATOM 326 CA PRO A 554 30.961 -14.372 18.360 1.00 0.00 C ATOM 327 C PRO A 554 31.050 -14.167 19.879 1.00 0.00 C ATOM 328 O PRO A 554 31.579 -13.161 20.364 1.00 0.00 O ATOM 329 CB PRO A 554 32.215 -15.063 17.813 1.00 0.00 C ATOM 330 CG PRO A 554 33.128 -13.889 17.498 1.00 0.00 C ATOM 331 CD PRO A 554 32.160 -12.813 17.009 1.00 0.00 C ATOM 0 HA PRO A 554 30.062 -14.972 18.214 1.00 0.00 H new ATOM 0 HB2 PRO A 554 32.659 -15.737 18.546 1.00 0.00 H new ATOM 0 HB3 PRO A 554 31.996 -15.657 16.925 1.00 0.00 H new ATOM 0 HG2 PRO A 554 33.681 -13.562 18.378 1.00 0.00 H new ATOM 0 HG3 PRO A 554 33.864 -14.145 16.736 1.00 0.00 H new ATOM 0 HD2 PRO A 554 32.508 -11.819 17.290 1.00 0.00 H new ATOM 0 HD3 PRO A 554 32.078 -12.827 15.922 1.00 0.00 H new ATOM 339 N GLU A 555 30.616 -15.168 20.648 1.00 0.00 N ATOM 340 CA GLU A 555 30.760 -15.173 22.115 1.00 0.00 C ATOM 341 C GLU A 555 32.232 -15.230 22.582 1.00 0.00 C ATOM 342 O GLU A 555 32.530 -14.903 23.735 1.00 0.00 O ATOM 343 CB GLU A 555 29.931 -16.319 22.728 1.00 0.00 C ATOM 344 CG GLU A 555 30.422 -17.729 22.364 1.00 0.00 C ATOM 345 CD GLU A 555 29.663 -18.844 23.114 1.00 0.00 C ATOM 346 OE1 GLU A 555 30.314 -19.832 23.541 1.00 0.00 O ATOM 347 OE2 GLU A 555 28.419 -18.766 23.266 1.00 0.00 O ATOM 0 H GLU A 555 30.155 -15.999 20.277 1.00 0.00 H new ATOM 0 HA GLU A 555 30.371 -14.221 22.477 1.00 0.00 H new ATOM 0 HB2 GLU A 555 29.938 -16.215 23.813 1.00 0.00 H new ATOM 0 HB3 GLU A 555 28.895 -16.214 22.404 1.00 0.00 H new ATOM 0 HG2 GLU A 555 30.311 -17.880 21.290 1.00 0.00 H new ATOM 0 HG3 GLU A 555 31.486 -17.807 22.589 1.00 0.00 H new ATOM 354 N THR A 556 33.152 -15.619 21.690 1.00 0.00 N ATOM 355 CA THR A 556 34.605 -15.600 21.939 1.00 0.00 C ATOM 356 C THR A 556 35.197 -14.180 21.936 1.00 0.00 C ATOM 357 O THR A 556 36.245 -13.968 22.546 1.00 0.00 O ATOM 358 CB THR A 556 35.350 -16.451 20.895 1.00 0.00 C ATOM 359 OG1 THR A 556 35.130 -15.963 19.591 1.00 0.00 O ATOM 360 CG2 THR A 556 34.911 -17.918 20.927 1.00 0.00 C ATOM 0 H THR A 556 32.908 -15.961 20.761 1.00 0.00 H new ATOM 0 HA THR A 556 34.742 -16.019 22.936 1.00 0.00 H new ATOM 0 HB THR A 556 36.407 -16.384 21.153 1.00 0.00 H new ATOM 0 HG1 THR A 556 35.615 -16.520 18.947 1.00 0.00 H new ATOM 0 HG21 THR A 556 35.463 -18.480 20.174 1.00 0.00 H new ATOM 0 HG22 THR A 556 35.114 -18.337 21.913 1.00 0.00 H new ATOM 0 HG23 THR A 556 33.843 -17.983 20.718 1.00 0.00 H new ATOM 368 N SER A 557 34.544 -13.199 21.298 1.00 0.00 N ATOM 369 CA SER A 557 34.963 -11.790 21.359 1.00 0.00 C ATOM 370 C SER A 557 34.507 -11.138 22.678 1.00 0.00 C ATOM 371 O SER A 557 33.314 -10.919 22.907 1.00 0.00 O ATOM 372 CB SER A 557 34.426 -10.990 20.166 1.00 0.00 C ATOM 373 OG SER A 557 34.940 -9.663 20.197 1.00 0.00 O ATOM 0 H SER A 557 33.714 -13.358 20.727 1.00 0.00 H new ATOM 0 HA SER A 557 36.052 -11.775 21.316 1.00 0.00 H new ATOM 0 HB2 SER A 557 34.711 -11.477 19.233 1.00 0.00 H new ATOM 0 HB3 SER A 557 33.337 -10.967 20.194 1.00 0.00 H new ATOM 0 HG SER A 557 34.593 -9.160 19.431 1.00 0.00 H new ATOM 379 N GLN A 558 35.457 -10.829 23.563 1.00 0.00 N ATOM 380 CA GLN A 558 35.196 -10.229 24.882 1.00 0.00 C ATOM 381 C GLN A 558 34.761 -8.753 24.784 1.00 0.00 C ATOM 382 O GLN A 558 33.968 -8.283 25.603 1.00 0.00 O ATOM 383 CB GLN A 558 36.449 -10.346 25.773 1.00 0.00 C ATOM 384 CG GLN A 558 36.964 -11.784 25.983 1.00 0.00 C ATOM 385 CD GLN A 558 37.943 -12.288 24.921 1.00 0.00 C ATOM 386 OE1 GLN A 558 38.212 -11.659 23.901 1.00 0.00 O ATOM 387 NE2 GLN A 558 38.524 -13.451 25.119 1.00 0.00 N ATOM 0 H GLN A 558 36.448 -10.990 23.384 1.00 0.00 H new ATOM 0 HA GLN A 558 34.369 -10.782 25.328 1.00 0.00 H new ATOM 0 HB2 GLN A 558 37.248 -9.750 25.331 1.00 0.00 H new ATOM 0 HB3 GLN A 558 36.227 -9.909 26.747 1.00 0.00 H new ATOM 0 HG2 GLN A 558 37.450 -11.840 26.957 1.00 0.00 H new ATOM 0 HG3 GLN A 558 36.108 -12.458 26.014 1.00 0.00 H new ATOM 0 HE21 GLN A 558 38.314 -13.989 25.960 1.00 0.00 H new ATOM 0 HE22 GLN A 558 39.184 -13.815 24.432 1.00 0.00 H new ATOM 396 N ASP A 559 35.250 -8.034 23.769 1.00 0.00 N ATOM 397 CA ASP A 559 35.042 -6.589 23.565 1.00 0.00 C ATOM 398 C ASP A 559 34.103 -6.250 22.388 1.00 0.00 C ATOM 399 O ASP A 559 33.828 -5.070 22.148 1.00 0.00 O ATOM 400 CB ASP A 559 36.415 -5.915 23.377 1.00 0.00 C ATOM 401 CG ASP A 559 37.397 -6.090 24.554 1.00 0.00 C ATOM 402 OD1 ASP A 559 36.968 -6.095 25.730 1.00 0.00 O ATOM 403 OD2 ASP A 559 38.626 -6.161 24.313 1.00 0.00 O ATOM 0 H ASP A 559 35.823 -8.454 23.037 1.00 0.00 H new ATOM 0 HA ASP A 559 34.538 -6.205 24.452 1.00 0.00 H new ATOM 0 HB2 ASP A 559 36.878 -6.315 22.475 1.00 0.00 H new ATOM 0 HB3 ASP A 559 36.259 -4.849 23.209 1.00 0.00 H new ATOM 408 N MET A 560 33.621 -7.256 21.642 1.00 0.00 N ATOM 409 CA MET A 560 32.862 -7.105 20.393 1.00 0.00 C ATOM 410 C MET A 560 33.607 -6.263 19.336 1.00 0.00 C ATOM 411 O MET A 560 33.001 -5.481 18.599 1.00 0.00 O ATOM 412 CB MET A 560 31.432 -6.613 20.656 1.00 0.00 C ATOM 413 CG MET A 560 30.675 -7.491 21.657 1.00 0.00 C ATOM 414 SD MET A 560 28.881 -7.254 21.632 1.00 0.00 S ATOM 415 CE MET A 560 28.352 -8.975 21.859 1.00 0.00 C ATOM 0 H MET A 560 33.755 -8.233 21.903 1.00 0.00 H new ATOM 0 HA MET A 560 32.774 -8.099 19.955 1.00 0.00 H new ATOM 0 HB2 MET A 560 31.468 -5.590 21.032 1.00 0.00 H new ATOM 0 HB3 MET A 560 30.883 -6.587 19.715 1.00 0.00 H new ATOM 0 HG2 MET A 560 30.896 -8.537 21.447 1.00 0.00 H new ATOM 0 HG3 MET A 560 31.045 -7.282 22.661 1.00 0.00 H new ATOM 0 HE1 MET A 560 27.372 -8.995 22.335 1.00 0.00 H new ATOM 0 HE2 MET A 560 28.294 -9.469 20.889 1.00 0.00 H new ATOM 0 HE3 MET A 560 29.072 -9.497 22.489 1.00 0.00 H new ATOM 425 N ALA A 561 34.932 -6.422 19.258 1.00 0.00 N ATOM 426 CA ALA A 561 35.810 -5.612 18.419 1.00 0.00 C ATOM 427 C ALA A 561 36.811 -6.447 17.602 1.00 0.00 C ATOM 428 O ALA A 561 37.360 -7.440 18.089 1.00 0.00 O ATOM 429 CB ALA A 561 36.499 -4.568 19.310 1.00 0.00 C ATOM 0 H ALA A 561 35.432 -7.135 19.790 1.00 0.00 H new ATOM 0 HA ALA A 561 35.208 -5.106 17.664 1.00 0.00 H new ATOM 0 HB1 ALA A 561 37.161 -3.951 18.702 1.00 0.00 H new ATOM 0 HB2 ALA A 561 35.745 -3.937 19.781 1.00 0.00 H new ATOM 0 HB3 ALA A 561 37.081 -5.074 20.080 1.00 0.00 H new ATOM 435 N PHE A 562 37.063 -6.016 16.363 1.00 0.00 N ATOM 436 CA PHE A 562 38.065 -6.573 15.448 1.00 0.00 C ATOM 437 C PHE A 562 38.541 -5.483 14.470 1.00 0.00 C ATOM 438 O PHE A 562 37.848 -4.484 14.294 1.00 0.00 O ATOM 439 CB PHE A 562 37.492 -7.782 14.692 1.00 0.00 C ATOM 440 CG PHE A 562 38.565 -8.652 14.065 1.00 0.00 C ATOM 441 CD1 PHE A 562 39.193 -9.644 14.837 1.00 0.00 C ATOM 442 CD2 PHE A 562 38.964 -8.456 12.730 1.00 0.00 C ATOM 443 CE1 PHE A 562 40.219 -10.434 14.290 1.00 0.00 C ATOM 444 CE2 PHE A 562 40.012 -9.220 12.190 1.00 0.00 C ATOM 445 CZ PHE A 562 40.635 -10.215 12.963 1.00 0.00 C ATOM 0 H PHE A 562 36.552 -5.235 15.952 1.00 0.00 H new ATOM 0 HA PHE A 562 38.922 -6.918 16.026 1.00 0.00 H new ATOM 0 HB2 PHE A 562 36.899 -8.385 15.379 1.00 0.00 H new ATOM 0 HB3 PHE A 562 36.817 -7.429 13.913 1.00 0.00 H new ATOM 0 HD1 PHE A 562 38.885 -9.801 15.860 1.00 0.00 H new ATOM 0 HD2 PHE A 562 38.464 -7.718 12.120 1.00 0.00 H new ATOM 0 HE1 PHE A 562 40.686 -11.205 14.885 1.00 0.00 H new ATOM 0 HE2 PHE A 562 40.340 -9.042 11.177 1.00 0.00 H new ATOM 0 HZ PHE A 562 41.431 -10.810 12.540 1.00 0.00 H new ATOM 455 N LYS A 563 39.708 -5.638 13.838 1.00 0.00 N ATOM 456 CA LYS A 563 40.375 -4.588 13.036 1.00 0.00 C ATOM 457 C LYS A 563 40.551 -4.958 11.560 1.00 0.00 C ATOM 458 O LYS A 563 41.020 -6.048 11.234 1.00 0.00 O ATOM 459 CB LYS A 563 41.698 -4.210 13.728 1.00 0.00 C ATOM 460 CG LYS A 563 42.429 -3.047 13.031 1.00 0.00 C ATOM 461 CD LYS A 563 43.639 -2.526 13.822 1.00 0.00 C ATOM 462 CE LYS A 563 43.208 -1.784 15.097 1.00 0.00 C ATOM 463 NZ LYS A 563 44.379 -1.233 15.830 1.00 0.00 N ATOM 0 H LYS A 563 40.233 -6.512 13.865 1.00 0.00 H new ATOM 0 HA LYS A 563 39.726 -3.713 13.002 1.00 0.00 H new ATOM 0 HB2 LYS A 563 41.495 -3.936 14.763 1.00 0.00 H new ATOM 0 HB3 LYS A 563 42.352 -5.082 13.751 1.00 0.00 H new ATOM 0 HG2 LYS A 563 42.762 -3.375 12.046 1.00 0.00 H new ATOM 0 HG3 LYS A 563 41.727 -2.228 12.874 1.00 0.00 H new ATOM 0 HD2 LYS A 563 44.287 -3.361 14.088 1.00 0.00 H new ATOM 0 HD3 LYS A 563 44.225 -1.857 13.192 1.00 0.00 H new ATOM 0 HE2 LYS A 563 42.527 -0.974 14.835 1.00 0.00 H new ATOM 0 HE3 LYS A 563 42.658 -2.465 15.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 44.052 -0.739 16.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 45.016 -2.009 16.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 44.889 -0.565 15.217 1.00 0.00 H new ATOM 477 N CYS A 564 40.232 -4.008 10.684 1.00 0.00 N ATOM 478 CA CYS A 564 40.512 -4.029 9.258 1.00 0.00 C ATOM 479 C CYS A 564 42.013 -3.795 8.999 1.00 0.00 C ATOM 480 O CYS A 564 42.478 -2.694 9.313 1.00 0.00 O ATOM 481 CB CYS A 564 39.713 -2.884 8.619 1.00 0.00 C ATOM 482 SG CYS A 564 39.720 -3.033 6.802 1.00 0.00 S ATOM 0 H CYS A 564 39.745 -3.159 10.970 1.00 0.00 H new ATOM 0 HA CYS A 564 40.235 -4.996 8.837 1.00 0.00 H new ATOM 0 HB2 CYS A 564 38.687 -2.900 8.987 1.00 0.00 H new ATOM 0 HB3 CYS A 564 40.142 -1.926 8.912 1.00 0.00 H new ATOM 487 N PRO A 565 42.773 -4.743 8.418 1.00 0.00 N ATOM 488 CA PRO A 565 44.166 -4.515 8.023 1.00 0.00 C ATOM 489 C PRO A 565 44.327 -3.592 6.797 1.00 0.00 C ATOM 490 O PRO A 565 45.418 -3.062 6.585 1.00 0.00 O ATOM 491 CB PRO A 565 44.717 -5.914 7.735 1.00 0.00 C ATOM 492 CG PRO A 565 43.488 -6.670 7.235 1.00 0.00 C ATOM 493 CD PRO A 565 42.361 -6.100 8.088 1.00 0.00 C ATOM 0 HA PRO A 565 44.705 -3.993 8.814 1.00 0.00 H new ATOM 0 HB2 PRO A 565 45.509 -5.890 6.986 1.00 0.00 H new ATOM 0 HB3 PRO A 565 45.138 -6.374 8.629 1.00 0.00 H new ATOM 0 HG2 PRO A 565 43.315 -6.500 6.172 1.00 0.00 H new ATOM 0 HG3 PRO A 565 43.593 -7.746 7.373 1.00 0.00 H new ATOM 0 HD2 PRO A 565 41.417 -6.102 7.544 1.00 0.00 H new ATOM 0 HD3 PRO A 565 42.211 -6.695 8.989 1.00 0.00 H new ATOM 501 N ILE A 566 43.270 -3.384 5.993 1.00 0.00 N ATOM 502 CA ILE A 566 43.317 -2.567 4.764 1.00 0.00 C ATOM 503 C ILE A 566 43.431 -1.071 5.117 1.00 0.00 C ATOM 504 O ILE A 566 44.388 -0.411 4.699 1.00 0.00 O ATOM 505 CB ILE A 566 42.092 -2.842 3.855 1.00 0.00 C ATOM 506 CG1 ILE A 566 42.012 -4.336 3.451 1.00 0.00 C ATOM 507 CG2 ILE A 566 42.159 -1.945 2.604 1.00 0.00 C ATOM 508 CD1 ILE A 566 40.769 -4.715 2.633 1.00 0.00 C ATOM 0 H ILE A 566 42.349 -3.781 6.178 1.00 0.00 H new ATOM 0 HA ILE A 566 44.205 -2.852 4.200 1.00 0.00 H new ATOM 0 HB ILE A 566 41.188 -2.606 4.417 1.00 0.00 H new ATOM 0 HG12 ILE A 566 42.901 -4.590 2.874 1.00 0.00 H new ATOM 0 HG13 ILE A 566 42.034 -4.944 4.355 1.00 0.00 H new ATOM 0 HG21 ILE A 566 41.296 -2.142 1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 566 42.155 -0.898 2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 566 43.073 -2.160 2.051 1.00 0.00 H new ATOM 0 HD11 ILE A 566 40.799 -5.779 2.397 1.00 0.00 H new ATOM 0 HD12 ILE A 566 39.872 -4.498 3.213 1.00 0.00 H new ATOM 0 HD13 ILE A 566 40.752 -4.138 1.708 1.00 0.00 H new ATOM 520 N CYS A 567 42.481 -0.547 5.906 1.00 0.00 N ATOM 521 CA CYS A 567 42.462 0.852 6.347 1.00 0.00 C ATOM 522 C CYS A 567 42.970 1.061 7.799 1.00 0.00 C ATOM 523 O CYS A 567 43.053 2.199 8.268 1.00 0.00 O ATOM 524 CB CYS A 567 41.061 1.439 6.092 1.00 0.00 C ATOM 525 SG CYS A 567 39.826 0.813 7.273 1.00 0.00 S ATOM 0 H CYS A 567 41.695 -1.092 6.259 1.00 0.00 H new ATOM 0 HA CYS A 567 43.185 1.408 5.751 1.00 0.00 H new ATOM 0 HB2 CYS A 567 41.107 2.526 6.159 1.00 0.00 H new ATOM 0 HB3 CYS A 567 40.746 1.196 5.077 1.00 0.00 H new ATOM 530 N LYS A 568 43.349 -0.029 8.484 1.00 0.00 N ATOM 531 CA LYS A 568 43.840 -0.068 9.868 1.00 0.00 C ATOM 532 C LYS A 568 42.798 0.385 10.912 1.00 0.00 C ATOM 533 O LYS A 568 43.153 1.082 11.863 1.00 0.00 O ATOM 534 CB LYS A 568 45.220 0.619 9.942 1.00 0.00 C ATOM 535 CG LYS A 568 46.130 -0.109 10.934 1.00 0.00 C ATOM 536 CD LYS A 568 47.440 0.657 11.174 1.00 0.00 C ATOM 537 CE LYS A 568 48.334 -0.094 12.170 1.00 0.00 C ATOM 538 NZ LYS A 568 49.628 0.607 12.366 1.00 0.00 N ATOM 0 H LYS A 568 43.319 -0.957 8.063 1.00 0.00 H new ATOM 0 HA LYS A 568 43.996 -1.106 10.163 1.00 0.00 H new ATOM 0 HB2 LYS A 568 45.682 0.627 8.955 1.00 0.00 H new ATOM 0 HB3 LYS A 568 45.099 1.659 10.246 1.00 0.00 H new ATOM 0 HG2 LYS A 568 45.606 -0.238 11.881 1.00 0.00 H new ATOM 0 HG3 LYS A 568 46.356 -1.106 10.556 1.00 0.00 H new ATOM 0 HD2 LYS A 568 47.969 0.787 10.230 1.00 0.00 H new ATOM 0 HD3 LYS A 568 47.219 1.654 11.556 1.00 0.00 H new ATOM 0 HE2 LYS A 568 47.819 -0.186 13.126 1.00 0.00 H new ATOM 0 HE3 LYS A 568 48.517 -1.105 11.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 50.211 0.076 13.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 50.128 0.673 11.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 49.452 1.563 12.735 1.00 0.00 H new ATOM 552 N GLU A 569 41.518 0.015 10.758 1.00 0.00 N ATOM 553 CA GLU A 569 40.430 0.546 11.611 1.00 0.00 C ATOM 554 C GLU A 569 39.620 -0.531 12.334 1.00 0.00 C ATOM 555 O GLU A 569 39.256 -1.551 11.748 1.00 0.00 O ATOM 556 CB GLU A 569 39.457 1.410 10.796 1.00 0.00 C ATOM 557 CG GLU A 569 40.013 2.758 10.310 1.00 0.00 C ATOM 558 CD GLU A 569 40.466 3.722 11.430 1.00 0.00 C ATOM 559 OE1 GLU A 569 39.930 3.658 12.567 1.00 0.00 O ATOM 560 OE2 GLU A 569 41.339 4.585 11.166 1.00 0.00 O ATOM 0 H GLU A 569 41.205 -0.650 10.051 1.00 0.00 H new ATOM 0 HA GLU A 569 40.941 1.142 12.367 1.00 0.00 H new ATOM 0 HB2 GLU A 569 39.131 0.838 9.928 1.00 0.00 H new ATOM 0 HB3 GLU A 569 38.572 1.600 11.403 1.00 0.00 H new ATOM 0 HG2 GLU A 569 40.860 2.568 9.651 1.00 0.00 H new ATOM 0 HG3 GLU A 569 39.249 3.254 9.712 1.00 0.00 H new ATOM 567 N THR A 570 39.297 -0.279 13.602 1.00 0.00 N ATOM 568 CA THR A 570 38.537 -1.194 14.468 1.00 0.00 C ATOM 569 C THR A 570 37.020 -1.064 14.269 1.00 0.00 C ATOM 570 O THR A 570 36.447 0.011 14.464 1.00 0.00 O ATOM 571 CB THR A 570 38.896 -0.949 15.943 1.00 0.00 C ATOM 572 OG1 THR A 570 40.287 -1.105 16.126 1.00 0.00 O ATOM 573 CG2 THR A 570 38.215 -1.924 16.901 1.00 0.00 C ATOM 0 H THR A 570 39.561 0.587 14.072 1.00 0.00 H new ATOM 0 HA THR A 570 38.816 -2.209 14.185 1.00 0.00 H new ATOM 0 HB THR A 570 38.556 0.062 16.168 1.00 0.00 H new ATOM 0 HG1 THR A 570 40.513 -0.947 17.066 1.00 0.00 H new ATOM 0 HG21 THR A 570 38.512 -1.695 17.925 1.00 0.00 H new ATOM 0 HG22 THR A 570 37.133 -1.830 16.807 1.00 0.00 H new ATOM 0 HG23 THR A 570 38.514 -2.943 16.656 1.00 0.00 H new ATOM 581 N VAL A 571 36.352 -2.173 13.915 1.00 0.00 N ATOM 582 CA VAL A 571 34.884 -2.307 13.922 1.00 0.00 C ATOM 583 C VAL A 571 34.407 -2.559 15.357 1.00 0.00 C ATOM 584 O VAL A 571 35.026 -3.337 16.078 1.00 0.00 O ATOM 585 CB VAL A 571 34.358 -3.479 13.053 1.00 0.00 C ATOM 586 CG1 VAL A 571 32.927 -3.192 12.580 1.00 0.00 C ATOM 587 CG2 VAL A 571 35.194 -3.819 11.826 1.00 0.00 C ATOM 0 H VAL A 571 36.827 -3.022 13.609 1.00 0.00 H new ATOM 0 HA VAL A 571 34.496 -1.377 13.506 1.00 0.00 H new ATOM 0 HB VAL A 571 34.412 -4.342 13.717 1.00 0.00 H new ATOM 0 HG11 VAL A 571 32.571 -4.023 11.971 1.00 0.00 H new ATOM 0 HG12 VAL A 571 32.275 -3.071 13.445 1.00 0.00 H new ATOM 0 HG13 VAL A 571 32.916 -2.278 11.987 1.00 0.00 H new ATOM 0 HG21 VAL A 571 34.735 -4.652 11.293 1.00 0.00 H new ATOM 0 HG22 VAL A 571 35.245 -2.951 11.169 1.00 0.00 H new ATOM 0 HG23 VAL A 571 36.201 -4.098 12.137 1.00 0.00 H new ATOM 597 N THR A 572 33.275 -1.976 15.754 1.00 0.00 N ATOM 598 CA THR A 572 32.565 -2.289 17.009 1.00 0.00 C ATOM 599 C THR A 572 31.212 -2.936 16.698 1.00 0.00 C ATOM 600 O THR A 572 30.517 -2.531 15.765 1.00 0.00 O ATOM 601 CB THR A 572 32.400 -1.042 17.900 1.00 0.00 C ATOM 602 OG1 THR A 572 31.770 0.021 17.218 1.00 0.00 O ATOM 603 CG2 THR A 572 33.752 -0.536 18.412 1.00 0.00 C ATOM 0 H THR A 572 32.810 -1.255 15.203 1.00 0.00 H new ATOM 0 HA THR A 572 33.169 -2.999 17.573 1.00 0.00 H new ATOM 0 HB THR A 572 31.775 -1.358 18.736 1.00 0.00 H new ATOM 0 HG1 THR A 572 31.684 0.790 17.819 1.00 0.00 H new ATOM 0 HG21 THR A 572 33.598 0.344 19.037 1.00 0.00 H new ATOM 0 HG22 THR A 572 34.235 -1.318 18.999 1.00 0.00 H new ATOM 0 HG23 THR A 572 34.387 -0.274 17.565 1.00 0.00 H new ATOM 611 N GLY A 573 30.844 -3.963 17.462 1.00 0.00 N ATOM 612 CA GLY A 573 29.603 -4.727 17.295 1.00 0.00 C ATOM 613 C GLY A 573 28.333 -3.912 17.574 1.00 0.00 C ATOM 614 O GLY A 573 28.340 -2.991 18.393 1.00 0.00 O ATOM 0 H GLY A 573 31.416 -4.298 18.237 1.00 0.00 H new ATOM 0 HA2 GLY A 573 29.559 -5.114 16.277 1.00 0.00 H new ATOM 0 HA3 GLY A 573 29.625 -5.589 17.962 1.00 0.00 H new ATOM 618 N VAL A 574 27.233 -4.275 16.908 1.00 0.00 N ATOM 619 CA VAL A 574 25.927 -3.589 16.961 1.00 0.00 C ATOM 620 C VAL A 574 24.769 -4.587 17.034 1.00 0.00 C ATOM 621 O VAL A 574 24.767 -5.548 16.268 1.00 0.00 O ATOM 622 CB VAL A 574 25.754 -2.666 15.726 1.00 0.00 C ATOM 623 CG1 VAL A 574 24.400 -1.947 15.720 1.00 0.00 C ATOM 624 CG2 VAL A 574 26.836 -1.579 15.646 1.00 0.00 C ATOM 0 H VAL A 574 27.222 -5.087 16.291 1.00 0.00 H new ATOM 0 HA VAL A 574 25.908 -2.985 17.868 1.00 0.00 H new ATOM 0 HB VAL A 574 25.832 -3.338 14.871 1.00 0.00 H new ATOM 0 HG11 VAL A 574 24.328 -1.314 14.836 1.00 0.00 H new ATOM 0 HG12 VAL A 574 23.597 -2.684 15.705 1.00 0.00 H new ATOM 0 HG13 VAL A 574 24.311 -1.332 16.615 1.00 0.00 H new ATOM 0 HG21 VAL A 574 26.667 -0.962 14.763 1.00 0.00 H new ATOM 0 HG22 VAL A 574 26.792 -0.955 16.539 1.00 0.00 H new ATOM 0 HG23 VAL A 574 27.818 -2.047 15.579 1.00 0.00 H new ATOM 634 N TYR A 575 23.785 -4.398 17.920 1.00 0.00 N ATOM 635 CA TYR A 575 22.636 -5.312 18.023 1.00 0.00 C ATOM 636 C TYR A 575 21.698 -5.237 16.810 1.00 0.00 C ATOM 637 O TYR A 575 21.421 -4.147 16.306 1.00 0.00 O ATOM 638 CB TYR A 575 21.876 -5.035 19.323 1.00 0.00 C ATOM 639 CG TYR A 575 20.756 -6.026 19.580 1.00 0.00 C ATOM 640 CD1 TYR A 575 19.426 -5.703 19.243 1.00 0.00 C ATOM 641 CD2 TYR A 575 21.060 -7.298 20.099 1.00 0.00 C ATOM 642 CE1 TYR A 575 18.399 -6.638 19.460 1.00 0.00 C ATOM 643 CE2 TYR A 575 20.032 -8.231 20.325 1.00 0.00 C ATOM 644 CZ TYR A 575 18.694 -7.907 20.002 1.00 0.00 C ATOM 645 OH TYR A 575 17.697 -8.803 20.248 1.00 0.00 O ATOM 0 H TYR A 575 23.759 -3.619 18.578 1.00 0.00 H new ATOM 0 HA TYR A 575 23.027 -6.329 18.036 1.00 0.00 H new ATOM 0 HB2 TYR A 575 22.575 -5.062 20.159 1.00 0.00 H new ATOM 0 HB3 TYR A 575 21.461 -4.028 19.287 1.00 0.00 H new ATOM 0 HD1 TYR A 575 19.196 -4.737 18.818 1.00 0.00 H new ATOM 0 HD2 TYR A 575 22.084 -7.558 20.324 1.00 0.00 H new ATOM 0 HE1 TYR A 575 17.379 -6.384 19.211 1.00 0.00 H new ATOM 0 HE2 TYR A 575 20.265 -9.198 20.746 1.00 0.00 H new ATOM 0 HH TYR A 575 18.080 -9.625 20.620 1.00 0.00 H new ATOM 655 N ASP A 576 21.165 -6.384 16.378 1.00 0.00 N ATOM 656 CA ASP A 576 20.139 -6.483 15.338 1.00 0.00 C ATOM 657 C ASP A 576 18.927 -7.289 15.821 1.00 0.00 C ATOM 658 O ASP A 576 19.076 -8.413 16.303 1.00 0.00 O ATOM 659 CB ASP A 576 20.731 -7.097 14.058 1.00 0.00 C ATOM 660 CG ASP A 576 20.040 -6.543 12.801 1.00 0.00 C ATOM 661 OD1 ASP A 576 18.795 -6.642 12.694 1.00 0.00 O ATOM 662 OD2 ASP A 576 20.751 -5.961 11.945 1.00 0.00 O ATOM 0 H ASP A 576 21.443 -7.291 16.752 1.00 0.00 H new ATOM 0 HA ASP A 576 19.792 -5.475 15.111 1.00 0.00 H new ATOM 0 HB2 ASP A 576 21.799 -6.886 14.011 1.00 0.00 H new ATOM 0 HB3 ASP A 576 20.621 -8.181 14.088 1.00 0.00 H new ATOM 667 N GLU A 577 17.720 -6.747 15.631 1.00 0.00 N ATOM 668 CA GLU A 577 16.459 -7.414 15.973 1.00 0.00 C ATOM 669 C GLU A 577 16.107 -8.586 15.033 1.00 0.00 C ATOM 670 O GLU A 577 15.393 -9.498 15.454 1.00 0.00 O ATOM 671 CB GLU A 577 15.320 -6.376 15.957 1.00 0.00 C ATOM 672 CG GLU A 577 15.437 -5.347 17.086 1.00 0.00 C ATOM 673 CD GLU A 577 14.266 -4.330 17.107 1.00 0.00 C ATOM 674 OE1 GLU A 577 13.819 -3.937 18.213 1.00 0.00 O ATOM 675 OE2 GLU A 577 13.784 -3.894 16.030 1.00 0.00 O ATOM 0 H GLU A 577 17.589 -5.819 15.229 1.00 0.00 H new ATOM 0 HA GLU A 577 16.584 -7.844 16.967 1.00 0.00 H new ATOM 0 HB2 GLU A 577 15.321 -5.858 14.998 1.00 0.00 H new ATOM 0 HB3 GLU A 577 14.363 -6.892 16.040 1.00 0.00 H new ATOM 0 HG2 GLU A 577 15.474 -5.869 18.042 1.00 0.00 H new ATOM 0 HG3 GLU A 577 16.378 -4.807 16.981 1.00 0.00 H new ATOM 682 N GLU A 578 16.592 -8.584 13.781 1.00 0.00 N ATOM 683 CA GLU A 578 16.354 -9.679 12.815 1.00 0.00 C ATOM 684 C GLU A 578 17.194 -10.923 13.155 1.00 0.00 C ATOM 685 O GLU A 578 16.677 -12.042 13.137 1.00 0.00 O ATOM 686 CB GLU A 578 16.659 -9.164 11.388 1.00 0.00 C ATOM 687 CG GLU A 578 16.431 -10.164 10.248 1.00 0.00 C ATOM 688 CD GLU A 578 14.950 -10.410 9.864 1.00 0.00 C ATOM 689 OE1 GLU A 578 14.025 -10.209 10.682 1.00 0.00 O ATOM 690 OE2 GLU A 578 14.694 -10.826 8.703 1.00 0.00 O ATOM 0 H GLU A 578 17.161 -7.825 13.406 1.00 0.00 H new ATOM 0 HA GLU A 578 15.309 -9.985 12.871 1.00 0.00 H new ATOM 0 HB2 GLU A 578 16.043 -8.284 11.201 1.00 0.00 H new ATOM 0 HB3 GLU A 578 17.699 -8.838 11.356 1.00 0.00 H new ATOM 0 HG2 GLU A 578 16.963 -9.810 9.365 1.00 0.00 H new ATOM 0 HG3 GLU A 578 16.879 -11.117 10.529 1.00 0.00 H new ATOM 697 N SER A 579 18.466 -10.737 13.530 1.00 0.00 N ATOM 698 CA SER A 579 19.336 -11.796 14.065 1.00 0.00 C ATOM 699 C SER A 579 18.982 -12.154 15.524 1.00 0.00 C ATOM 700 O SER A 579 19.180 -13.296 15.955 1.00 0.00 O ATOM 701 CB SER A 579 20.802 -11.345 14.039 1.00 0.00 C ATOM 702 OG SER A 579 21.203 -10.968 12.736 1.00 0.00 O ATOM 0 H SER A 579 18.929 -9.830 13.470 1.00 0.00 H new ATOM 0 HA SER A 579 19.185 -12.671 13.433 1.00 0.00 H new ATOM 0 HB2 SER A 579 20.938 -10.505 14.720 1.00 0.00 H new ATOM 0 HB3 SER A 579 21.439 -12.153 14.398 1.00 0.00 H new ATOM 0 HG SER A 579 22.141 -10.684 12.752 1.00 0.00 H new ATOM 708 N GLY A 580 18.502 -11.172 16.294 1.00 0.00 N ATOM 709 CA GLY A 580 18.321 -11.283 17.748 1.00 0.00 C ATOM 710 C GLY A 580 19.657 -11.290 18.501 1.00 0.00 C ATOM 711 O GLY A 580 19.749 -11.831 19.603 1.00 0.00 O ATOM 0 H GLY A 580 18.224 -10.264 15.921 1.00 0.00 H new ATOM 0 HA2 GLY A 580 17.712 -10.451 18.101 1.00 0.00 H new ATOM 0 HA3 GLY A 580 17.773 -12.198 17.975 1.00 0.00 H new ATOM 715 N GLU A 581 20.707 -10.755 17.872 1.00 0.00 N ATOM 716 CA GLU A 581 22.116 -10.842 18.294 1.00 0.00 C ATOM 717 C GLU A 581 22.954 -9.651 17.775 1.00 0.00 C ATOM 718 O GLU A 581 22.525 -8.903 16.892 1.00 0.00 O ATOM 719 CB GLU A 581 22.748 -12.162 17.796 1.00 0.00 C ATOM 720 CG GLU A 581 22.588 -13.356 18.746 1.00 0.00 C ATOM 721 CD GLU A 581 23.201 -13.158 20.154 1.00 0.00 C ATOM 722 OE1 GLU A 581 22.871 -13.952 21.070 1.00 0.00 O ATOM 723 OE2 GLU A 581 24.044 -12.252 20.361 1.00 0.00 O ATOM 0 H GLU A 581 20.596 -10.221 17.010 1.00 0.00 H new ATOM 0 HA GLU A 581 22.122 -10.814 19.384 1.00 0.00 H new ATOM 0 HB2 GLU A 581 22.304 -12.420 16.835 1.00 0.00 H new ATOM 0 HB3 GLU A 581 23.811 -11.995 17.622 1.00 0.00 H new ATOM 0 HG2 GLU A 581 21.526 -13.574 18.856 1.00 0.00 H new ATOM 0 HG3 GLU A 581 23.047 -14.231 18.286 1.00 0.00 H new ATOM 730 N TRP A 582 24.164 -9.503 18.327 1.00 0.00 N ATOM 731 CA TRP A 582 25.148 -8.502 17.920 1.00 0.00 C ATOM 732 C TRP A 582 25.855 -8.892 16.612 1.00 0.00 C ATOM 733 O TRP A 582 26.168 -10.061 16.371 1.00 0.00 O ATOM 734 CB TRP A 582 26.121 -8.250 19.081 1.00 0.00 C ATOM 735 CG TRP A 582 25.470 -7.715 20.327 1.00 0.00 C ATOM 736 CD1 TRP A 582 24.784 -8.444 21.244 1.00 0.00 C ATOM 737 CD2 TRP A 582 25.385 -6.333 20.788 1.00 0.00 C ATOM 738 NE1 TRP A 582 24.283 -7.615 22.224 1.00 0.00 N ATOM 739 CE2 TRP A 582 24.613 -6.301 21.986 1.00 0.00 C ATOM 740 CE3 TRP A 582 25.896 -5.106 20.324 1.00 0.00 C ATOM 741 CZ2 TRP A 582 24.333 -5.103 22.669 1.00 0.00 C ATOM 742 CZ3 TRP A 582 25.622 -3.898 20.992 1.00 0.00 C ATOM 743 CH2 TRP A 582 24.835 -3.893 22.156 1.00 0.00 C ATOM 0 H TRP A 582 24.492 -10.095 19.090 1.00 0.00 H new ATOM 0 HA TRP A 582 24.639 -7.564 17.698 1.00 0.00 H new ATOM 0 HB2 TRP A 582 26.630 -9.183 19.323 1.00 0.00 H new ATOM 0 HB3 TRP A 582 26.885 -7.546 18.753 1.00 0.00 H new ATOM 0 HD1 TRP A 582 24.651 -9.515 21.210 1.00 0.00 H new ATOM 0 HE1 TRP A 582 23.737 -7.935 23.024 1.00 0.00 H new ATOM 0 HE3 TRP A 582 26.511 -5.091 19.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 582 23.742 -5.112 23.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 582 26.019 -2.970 20.608 1.00 0.00 H new ATOM 0 HH2 TRP A 582 24.616 -2.961 22.656 1.00 0.00 H new ATOM 754 N VAL A 583 26.140 -7.896 15.765 1.00 0.00 N ATOM 755 CA VAL A 583 26.676 -8.029 14.399 1.00 0.00 C ATOM 756 C VAL A 583 27.736 -6.964 14.089 1.00 0.00 C ATOM 757 O VAL A 583 27.694 -5.840 14.576 1.00 0.00 O ATOM 758 CB VAL A 583 25.570 -7.991 13.314 1.00 0.00 C ATOM 759 CG1 VAL A 583 24.614 -9.188 13.414 1.00 0.00 C ATOM 760 CG2 VAL A 583 24.714 -6.718 13.292 1.00 0.00 C ATOM 0 H VAL A 583 25.996 -6.920 16.026 1.00 0.00 H new ATOM 0 HA VAL A 583 27.146 -9.012 14.369 1.00 0.00 H new ATOM 0 HB VAL A 583 26.145 -8.022 12.389 1.00 0.00 H new ATOM 0 HG11 VAL A 583 23.857 -9.116 12.633 1.00 0.00 H new ATOM 0 HG12 VAL A 583 25.176 -10.114 13.290 1.00 0.00 H new ATOM 0 HG13 VAL A 583 24.129 -9.186 14.390 1.00 0.00 H new ATOM 0 HG21 VAL A 583 23.971 -6.793 12.498 1.00 0.00 H new ATOM 0 HG22 VAL A 583 24.209 -6.602 14.251 1.00 0.00 H new ATOM 0 HG23 VAL A 583 25.353 -5.853 13.112 1.00 0.00 H new ATOM 770 N TRP A 584 28.697 -7.340 13.255 1.00 0.00 N ATOM 771 CA TRP A 584 29.721 -6.495 12.641 1.00 0.00 C ATOM 772 C TRP A 584 29.241 -6.136 11.231 1.00 0.00 C ATOM 773 O TRP A 584 29.325 -6.950 10.307 1.00 0.00 O ATOM 774 CB TRP A 584 31.049 -7.272 12.628 1.00 0.00 C ATOM 775 CG TRP A 584 31.868 -7.227 13.881 1.00 0.00 C ATOM 776 CD1 TRP A 584 32.144 -6.122 14.613 1.00 0.00 C ATOM 777 CD2 TRP A 584 32.591 -8.320 14.532 1.00 0.00 C ATOM 778 NE1 TRP A 584 32.902 -6.467 15.717 1.00 0.00 N ATOM 779 CE2 TRP A 584 33.225 -7.805 15.700 1.00 0.00 C ATOM 780 CE3 TRP A 584 32.790 -9.691 14.235 1.00 0.00 C ATOM 781 CZ2 TRP A 584 33.996 -8.618 16.547 1.00 0.00 C ATOM 782 CZ3 TRP A 584 33.592 -10.500 15.059 1.00 0.00 C ATOM 783 CH2 TRP A 584 34.176 -9.970 16.221 1.00 0.00 C ATOM 0 H TRP A 584 28.791 -8.314 12.967 1.00 0.00 H new ATOM 0 HA TRP A 584 29.885 -5.571 13.195 1.00 0.00 H new ATOM 0 HB2 TRP A 584 30.830 -8.316 12.402 1.00 0.00 H new ATOM 0 HB3 TRP A 584 31.659 -6.890 11.809 1.00 0.00 H new ATOM 0 HD1 TRP A 584 31.820 -5.120 14.371 1.00 0.00 H new ATOM 0 HE1 TRP A 584 33.185 -5.815 16.449 1.00 0.00 H new ATOM 0 HE3 TRP A 584 32.319 -10.121 13.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 584 34.445 -8.207 17.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 584 33.760 -11.534 14.797 1.00 0.00 H new ATOM 0 HH2 TRP A 584 34.765 -10.605 16.865 1.00 0.00 H new ATOM 794 N LYS A 585 28.672 -4.933 11.083 1.00 0.00 N ATOM 795 CA LYS A 585 28.154 -4.409 9.809 1.00 0.00 C ATOM 796 C LYS A 585 29.288 -3.967 8.881 1.00 0.00 C ATOM 797 O LYS A 585 30.382 -3.651 9.350 1.00 0.00 O ATOM 798 CB LYS A 585 27.125 -3.295 10.067 1.00 0.00 C ATOM 799 CG LYS A 585 25.889 -3.856 10.791 1.00 0.00 C ATOM 800 CD LYS A 585 24.772 -2.813 10.915 1.00 0.00 C ATOM 801 CE LYS A 585 23.537 -3.386 11.628 1.00 0.00 C ATOM 802 NZ LYS A 585 22.796 -4.365 10.779 1.00 0.00 N ATOM 0 H LYS A 585 28.556 -4.282 11.860 1.00 0.00 H new ATOM 0 HA LYS A 585 27.635 -5.213 9.287 1.00 0.00 H new ATOM 0 HB2 LYS A 585 27.578 -2.506 10.668 1.00 0.00 H new ATOM 0 HB3 LYS A 585 26.825 -2.843 9.121 1.00 0.00 H new ATOM 0 HG2 LYS A 585 25.515 -4.725 10.249 1.00 0.00 H new ATOM 0 HG3 LYS A 585 26.176 -4.199 11.785 1.00 0.00 H new ATOM 0 HD2 LYS A 585 25.141 -1.948 11.465 1.00 0.00 H new ATOM 0 HD3 LYS A 585 24.489 -2.462 9.922 1.00 0.00 H new ATOM 0 HE2 LYS A 585 23.847 -3.872 12.553 1.00 0.00 H new ATOM 0 HE3 LYS A 585 22.869 -2.570 11.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 585 22.022 -4.787 11.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 585 22.403 -3.877 9.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 585 23.446 -5.114 10.465 1.00 0.00 H new ATOM 816 N ASN A 586 29.039 -3.975 7.568 1.00 0.00 N ATOM 817 CA ASN A 586 30.032 -3.696 6.516 1.00 0.00 C ATOM 818 C ASN A 586 31.337 -4.515 6.702 1.00 0.00 C ATOM 819 O ASN A 586 32.437 -3.989 6.532 1.00 0.00 O ATOM 820 CB ASN A 586 30.231 -2.165 6.436 1.00 0.00 C ATOM 821 CG ASN A 586 31.089 -1.718 5.263 1.00 0.00 C ATOM 822 OD1 ASN A 586 31.164 -2.365 4.232 1.00 0.00 O ATOM 823 ND2 ASN A 586 31.751 -0.593 5.369 1.00 0.00 N ATOM 0 H ASN A 586 28.114 -4.182 7.192 1.00 0.00 H new ATOM 0 HA ASN A 586 29.666 -4.035 5.547 1.00 0.00 H new ATOM 0 HB2 ASN A 586 29.255 -1.684 6.364 1.00 0.00 H new ATOM 0 HB3 ASN A 586 30.690 -1.819 7.362 1.00 0.00 H new ATOM 0 HD21 ASN A 586 32.324 -0.263 4.592 1.00 0.00 H new ATOM 0 HD22 ASN A 586 31.693 -0.046 6.228 1.00 0.00 H new ATOM 830 N THR A 587 31.227 -5.791 7.094 1.00 0.00 N ATOM 831 CA THR A 587 32.367 -6.682 7.400 1.00 0.00 C ATOM 832 C THR A 587 32.240 -8.023 6.669 1.00 0.00 C ATOM 833 O THR A 587 31.168 -8.635 6.634 1.00 0.00 O ATOM 834 CB THR A 587 32.521 -6.894 8.916 1.00 0.00 C ATOM 835 OG1 THR A 587 32.756 -5.654 9.553 1.00 0.00 O ATOM 836 CG2 THR A 587 33.711 -7.796 9.260 1.00 0.00 C ATOM 0 H THR A 587 30.323 -6.249 7.212 1.00 0.00 H new ATOM 0 HA THR A 587 33.270 -6.190 7.039 1.00 0.00 H new ATOM 0 HB THR A 587 31.597 -7.361 9.256 1.00 0.00 H new ATOM 0 HG1 THR A 587 31.965 -5.084 9.460 1.00 0.00 H new ATOM 0 HG21 THR A 587 33.777 -7.915 10.342 1.00 0.00 H new ATOM 0 HG22 THR A 587 33.574 -8.772 8.795 1.00 0.00 H new ATOM 0 HG23 THR A 587 34.630 -7.343 8.888 1.00 0.00 H new ATOM 844 N ILE A 588 33.363 -8.505 6.128 1.00 0.00 N ATOM 845 CA ILE A 588 33.465 -9.634 5.198 1.00 0.00 C ATOM 846 C ILE A 588 34.588 -10.607 5.590 1.00 0.00 C ATOM 847 O ILE A 588 35.682 -10.197 5.976 1.00 0.00 O ATOM 848 CB ILE A 588 33.612 -9.086 3.757 1.00 0.00 C ATOM 849 CG1 ILE A 588 33.821 -10.210 2.731 1.00 0.00 C ATOM 850 CG2 ILE A 588 34.791 -8.105 3.632 1.00 0.00 C ATOM 851 CD1 ILE A 588 33.554 -9.789 1.280 1.00 0.00 C ATOM 0 H ILE A 588 34.274 -8.096 6.338 1.00 0.00 H new ATOM 0 HA ILE A 588 32.552 -10.227 5.248 1.00 0.00 H new ATOM 0 HB ILE A 588 32.677 -8.567 3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 588 34.845 -10.574 2.810 1.00 0.00 H new ATOM 0 HG13 ILE A 588 33.166 -11.044 2.983 1.00 0.00 H new ATOM 0 HG21 ILE A 588 34.858 -7.745 2.605 1.00 0.00 H new ATOM 0 HG22 ILE A 588 34.634 -7.260 4.303 1.00 0.00 H new ATOM 0 HG23 ILE A 588 35.717 -8.614 3.899 1.00 0.00 H new ATOM 0 HD11 ILE A 588 33.723 -10.638 0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 588 32.522 -9.453 1.183 1.00 0.00 H new ATOM 0 HD13 ILE A 588 34.227 -8.976 1.007 1.00 0.00 H new ATOM 863 N GLU A 589 34.320 -11.905 5.446 1.00 0.00 N ATOM 864 CA GLU A 589 35.315 -12.976 5.559 1.00 0.00 C ATOM 865 C GLU A 589 35.815 -13.399 4.169 1.00 0.00 C ATOM 866 O GLU A 589 35.018 -13.673 3.267 1.00 0.00 O ATOM 867 CB GLU A 589 34.719 -14.177 6.312 1.00 0.00 C ATOM 868 CG GLU A 589 35.793 -15.215 6.696 1.00 0.00 C ATOM 869 CD GLU A 589 35.246 -16.549 7.250 1.00 0.00 C ATOM 870 OE1 GLU A 589 36.074 -17.430 7.594 1.00 0.00 O ATOM 871 OE2 GLU A 589 34.011 -16.760 7.336 1.00 0.00 O ATOM 0 H GLU A 589 33.382 -12.251 5.242 1.00 0.00 H new ATOM 0 HA GLU A 589 36.168 -12.601 6.125 1.00 0.00 H new ATOM 0 HB2 GLU A 589 34.217 -13.826 7.213 1.00 0.00 H new ATOM 0 HB3 GLU A 589 33.961 -14.654 5.690 1.00 0.00 H new ATOM 0 HG2 GLU A 589 36.402 -15.427 5.817 1.00 0.00 H new ATOM 0 HG3 GLU A 589 36.453 -14.773 7.442 1.00 0.00 H new ATOM 878 N VAL A 590 37.133 -13.511 3.996 1.00 0.00 N ATOM 879 CA VAL A 590 37.791 -14.060 2.800 1.00 0.00 C ATOM 880 C VAL A 590 39.069 -14.805 3.172 1.00 0.00 C ATOM 881 O VAL A 590 39.931 -14.295 3.887 1.00 0.00 O ATOM 882 CB VAL A 590 37.996 -12.971 1.726 1.00 0.00 C ATOM 883 CG1 VAL A 590 38.845 -11.785 2.187 1.00 0.00 C ATOM 884 CG2 VAL A 590 38.615 -13.546 0.450 1.00 0.00 C ATOM 0 H VAL A 590 37.799 -13.212 4.708 1.00 0.00 H new ATOM 0 HA VAL A 590 37.133 -14.802 2.347 1.00 0.00 H new ATOM 0 HB VAL A 590 36.991 -12.599 1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 590 38.940 -11.067 1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 590 38.366 -11.305 3.041 1.00 0.00 H new ATOM 0 HG13 VAL A 590 39.835 -12.137 2.477 1.00 0.00 H new ATOM 0 HG21 VAL A 590 38.744 -12.749 -0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 590 39.585 -13.986 0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 590 37.958 -14.313 0.040 1.00 0.00 H new ATOM 894 N ASN A 591 39.164 -16.051 2.698 1.00 0.00 N ATOM 895 CA ASN A 591 40.335 -16.918 2.844 1.00 0.00 C ATOM 896 C ASN A 591 40.816 -17.079 4.308 1.00 0.00 C ATOM 897 O ASN A 591 42.015 -17.132 4.585 1.00 0.00 O ATOM 898 CB ASN A 591 41.415 -16.449 1.853 1.00 0.00 C ATOM 899 CG ASN A 591 40.994 -16.451 0.389 1.00 0.00 C ATOM 900 OD1 ASN A 591 40.036 -17.090 -0.026 1.00 0.00 O ATOM 901 ND2 ASN A 591 41.706 -15.733 -0.455 1.00 0.00 N ATOM 0 H ASN A 591 38.403 -16.497 2.186 1.00 0.00 H new ATOM 0 HA ASN A 591 40.061 -17.941 2.584 1.00 0.00 H new ATOM 0 HB2 ASN A 591 41.722 -15.439 2.125 1.00 0.00 H new ATOM 0 HB3 ASN A 591 42.290 -17.089 1.964 1.00 0.00 H new ATOM 0 HD21 ASN A 591 41.457 -15.713 -1.444 1.00 0.00 H new ATOM 0 HD22 ASN A 591 42.506 -15.197 -0.120 1.00 0.00 H new ATOM 908 N GLY A 592 39.870 -17.134 5.256 1.00 0.00 N ATOM 909 CA GLY A 592 40.136 -17.271 6.698 1.00 0.00 C ATOM 910 C GLY A 592 40.543 -15.974 7.420 1.00 0.00 C ATOM 911 O GLY A 592 40.947 -16.031 8.586 1.00 0.00 O ATOM 0 H GLY A 592 38.875 -17.083 5.038 1.00 0.00 H new ATOM 0 HA2 GLY A 592 39.243 -17.670 7.179 1.00 0.00 H new ATOM 0 HA3 GLY A 592 40.928 -18.007 6.836 1.00 0.00 H new ATOM 915 N LYS A 593 40.457 -14.819 6.749 1.00 0.00 N ATOM 916 CA LYS A 593 40.765 -13.477 7.278 1.00 0.00 C ATOM 917 C LYS A 593 39.561 -12.534 7.130 1.00 0.00 C ATOM 918 O LYS A 593 38.668 -12.794 6.323 1.00 0.00 O ATOM 919 CB LYS A 593 42.015 -12.923 6.561 1.00 0.00 C ATOM 920 CG LYS A 593 43.283 -13.730 6.902 1.00 0.00 C ATOM 921 CD LYS A 593 44.548 -13.159 6.247 1.00 0.00 C ATOM 922 CE LYS A 593 44.534 -13.312 4.719 1.00 0.00 C ATOM 923 NZ LYS A 593 45.809 -12.846 4.111 1.00 0.00 N ATOM 0 H LYS A 593 40.156 -14.789 5.775 1.00 0.00 H new ATOM 0 HA LYS A 593 40.977 -13.550 8.345 1.00 0.00 H new ATOM 0 HB2 LYS A 593 41.853 -12.942 5.483 1.00 0.00 H new ATOM 0 HB3 LYS A 593 42.162 -11.880 6.843 1.00 0.00 H new ATOM 0 HG2 LYS A 593 43.416 -13.748 7.984 1.00 0.00 H new ATOM 0 HG3 LYS A 593 43.148 -14.763 6.580 1.00 0.00 H new ATOM 0 HD2 LYS A 593 44.642 -12.104 6.503 1.00 0.00 H new ATOM 0 HD3 LYS A 593 45.424 -13.665 6.652 1.00 0.00 H new ATOM 0 HE2 LYS A 593 44.367 -14.357 4.459 1.00 0.00 H new ATOM 0 HE3 LYS A 593 43.702 -12.743 4.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 45.765 -12.964 3.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 45.956 -11.842 4.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 46.599 -13.406 4.490 1.00 0.00 H new ATOM 937 N TYR A 594 39.544 -11.441 7.899 1.00 0.00 N ATOM 938 CA TYR A 594 38.474 -10.437 7.881 1.00 0.00 C ATOM 939 C TYR A 594 38.922 -9.070 7.347 1.00 0.00 C ATOM 940 O TYR A 594 40.021 -8.598 7.636 1.00 0.00 O ATOM 941 CB TYR A 594 37.843 -10.291 9.269 1.00 0.00 C ATOM 942 CG TYR A 594 36.972 -11.465 9.657 1.00 0.00 C ATOM 943 CD1 TYR A 594 35.632 -11.498 9.227 1.00 0.00 C ATOM 944 CD2 TYR A 594 37.492 -12.521 10.429 1.00 0.00 C ATOM 945 CE1 TYR A 594 34.805 -12.577 9.579 1.00 0.00 C ATOM 946 CE2 TYR A 594 36.666 -13.608 10.777 1.00 0.00 C ATOM 947 CZ TYR A 594 35.320 -13.636 10.355 1.00 0.00 C ATOM 948 OH TYR A 594 34.516 -14.678 10.697 1.00 0.00 O ATOM 0 H TYR A 594 40.287 -11.225 8.564 1.00 0.00 H new ATOM 0 HA TYR A 594 37.726 -10.808 7.180 1.00 0.00 H new ATOM 0 HB2 TYR A 594 38.634 -10.174 10.010 1.00 0.00 H new ATOM 0 HB3 TYR A 594 37.245 -9.380 9.295 1.00 0.00 H new ATOM 0 HD1 TYR A 594 35.239 -10.692 8.625 1.00 0.00 H new ATOM 0 HD2 TYR A 594 38.522 -12.498 10.754 1.00 0.00 H new ATOM 0 HE1 TYR A 594 33.775 -12.596 9.255 1.00 0.00 H new ATOM 0 HE2 TYR A 594 37.063 -14.420 11.367 1.00 0.00 H new ATOM 0 HH TYR A 594 35.025 -15.323 11.231 1.00 0.00 H new ATOM 958 N PHE A 595 38.012 -8.427 6.614 1.00 0.00 N ATOM 959 CA PHE A 595 38.127 -7.109 5.970 1.00 0.00 C ATOM 960 C PHE A 595 36.795 -6.335 6.120 1.00 0.00 C ATOM 961 O PHE A 595 35.783 -6.907 6.542 1.00 0.00 O ATOM 962 CB PHE A 595 38.435 -7.312 4.466 1.00 0.00 C ATOM 963 CG PHE A 595 39.753 -7.918 4.010 1.00 0.00 C ATOM 964 CD1 PHE A 595 39.794 -8.569 2.763 1.00 0.00 C ATOM 965 CD2 PHE A 595 40.939 -7.795 4.755 1.00 0.00 C ATOM 966 CE1 PHE A 595 41.000 -9.104 2.280 1.00 0.00 C ATOM 967 CE2 PHE A 595 42.144 -8.356 4.281 1.00 0.00 C ATOM 968 CZ PHE A 595 42.172 -9.008 3.039 1.00 0.00 C ATOM 0 H PHE A 595 37.099 -8.846 6.438 1.00 0.00 H new ATOM 0 HA PHE A 595 38.927 -6.539 6.442 1.00 0.00 H new ATOM 0 HB2 PHE A 595 37.639 -7.936 4.059 1.00 0.00 H new ATOM 0 HB3 PHE A 595 38.351 -6.336 3.989 1.00 0.00 H new ATOM 0 HD1 PHE A 595 38.893 -8.658 2.174 1.00 0.00 H new ATOM 0 HD2 PHE A 595 40.928 -7.267 5.697 1.00 0.00 H new ATOM 0 HE1 PHE A 595 41.023 -9.592 1.317 1.00 0.00 H new ATOM 0 HE2 PHE A 595 43.044 -8.284 4.874 1.00 0.00 H new ATOM 0 HZ PHE A 595 43.094 -9.434 2.670 1.00 0.00 H new ATOM 978 N HIS A 596 36.756 -5.054 5.745 1.00 0.00 N ATOM 979 CA HIS A 596 35.497 -4.306 5.567 1.00 0.00 C ATOM 980 C HIS A 596 34.965 -4.603 4.160 1.00 0.00 C ATOM 981 O HIS A 596 35.750 -4.710 3.217 1.00 0.00 O ATOM 982 CB HIS A 596 35.705 -2.791 5.672 1.00 0.00 C ATOM 983 CG HIS A 596 35.859 -2.159 7.025 1.00 0.00 C ATOM 984 ND1 HIS A 596 36.957 -1.365 7.336 1.00 0.00 N ATOM 985 CD2 HIS A 596 34.963 -2.125 8.056 1.00 0.00 C ATOM 986 CE1 HIS A 596 36.716 -0.869 8.558 1.00 0.00 C ATOM 987 NE2 HIS A 596 35.526 -1.310 9.017 1.00 0.00 N ATOM 0 H HIS A 596 37.592 -4.502 5.555 1.00 0.00 H new ATOM 0 HA HIS A 596 34.806 -4.616 6.351 1.00 0.00 H new ATOM 0 HB2 HIS A 596 36.594 -2.542 5.092 1.00 0.00 H new ATOM 0 HB3 HIS A 596 34.859 -2.310 5.181 1.00 0.00 H new ATOM 0 HD2 HIS A 596 34.011 -2.631 8.108 1.00 0.00 H new ATOM 0 HE1 HIS A 596 37.380 -0.210 9.098 1.00 0.00 H new ATOM 0 HE2 HIS A 596 35.113 -1.080 9.921 1.00 0.00 H new ATOM 995 N SER A 597 33.647 -4.715 4.000 1.00 0.00 N ATOM 996 CA SER A 597 33.037 -5.068 2.707 1.00 0.00 C ATOM 997 C SER A 597 33.272 -3.985 1.650 1.00 0.00 C ATOM 998 O SER A 597 33.649 -4.303 0.521 1.00 0.00 O ATOM 999 CB SER A 597 31.546 -5.373 2.875 1.00 0.00 C ATOM 1000 OG SER A 597 31.339 -6.279 3.945 1.00 0.00 O ATOM 0 H SER A 597 32.973 -4.566 4.751 1.00 0.00 H new ATOM 0 HA SER A 597 33.528 -5.972 2.347 1.00 0.00 H new ATOM 0 HB2 SER A 597 30.999 -4.449 3.063 1.00 0.00 H new ATOM 0 HB3 SER A 597 31.150 -5.796 1.952 1.00 0.00 H new ATOM 0 HG SER A 597 30.409 -6.220 4.248 1.00 0.00 H new ATOM 1006 N THR A 598 33.159 -2.705 2.019 1.00 0.00 N ATOM 1007 CA THR A 598 33.528 -1.574 1.148 1.00 0.00 C ATOM 1008 C THR A 598 35.027 -1.522 0.845 1.00 0.00 C ATOM 1009 O THR A 598 35.386 -1.295 -0.309 1.00 0.00 O ATOM 1010 CB THR A 598 33.114 -0.222 1.754 1.00 0.00 C ATOM 1011 OG1 THR A 598 33.519 -0.102 3.104 1.00 0.00 O ATOM 1012 CG2 THR A 598 31.606 -0.007 1.681 1.00 0.00 C ATOM 0 H THR A 598 32.808 -2.419 2.933 1.00 0.00 H new ATOM 0 HA THR A 598 32.984 -1.746 0.219 1.00 0.00 H new ATOM 0 HB THR A 598 33.618 0.538 1.157 1.00 0.00 H new ATOM 0 HG1 THR A 598 33.385 0.821 3.405 1.00 0.00 H new ATOM 0 HG21 THR A 598 31.355 0.959 2.119 1.00 0.00 H new ATOM 0 HG22 THR A 598 31.286 -0.027 0.639 1.00 0.00 H new ATOM 0 HG23 THR A 598 31.099 -0.799 2.232 1.00 0.00 H new ATOM 1020 N CYS A 599 35.904 -1.761 1.830 1.00 0.00 N ATOM 1021 CA CYS A 599 37.355 -1.759 1.640 1.00 0.00 C ATOM 1022 C CYS A 599 37.791 -2.808 0.610 1.00 0.00 C ATOM 1023 O CYS A 599 38.466 -2.467 -0.358 1.00 0.00 O ATOM 1024 CB CYS A 599 38.052 -1.962 2.990 1.00 0.00 C ATOM 1025 SG CYS A 599 37.905 -0.458 4.012 1.00 0.00 S ATOM 0 H CYS A 599 35.620 -1.963 2.789 1.00 0.00 H new ATOM 0 HA CYS A 599 37.654 -0.791 1.239 1.00 0.00 H new ATOM 0 HB2 CYS A 599 37.608 -2.809 3.512 1.00 0.00 H new ATOM 0 HB3 CYS A 599 39.104 -2.201 2.832 1.00 0.00 H new ATOM 1030 N TYR A 600 37.397 -4.072 0.803 1.00 0.00 N ATOM 1031 CA TYR A 600 37.655 -5.149 -0.156 1.00 0.00 C ATOM 1032 C TYR A 600 37.113 -4.756 -1.547 1.00 0.00 C ATOM 1033 O TYR A 600 37.871 -4.718 -2.521 1.00 0.00 O ATOM 1034 CB TYR A 600 37.120 -6.475 0.417 1.00 0.00 C ATOM 1035 CG TYR A 600 37.292 -7.768 -0.387 1.00 0.00 C ATOM 1036 CD1 TYR A 600 36.778 -8.956 0.172 1.00 0.00 C ATOM 1037 CD2 TYR A 600 37.929 -7.834 -1.645 1.00 0.00 C ATOM 1038 CE1 TYR A 600 36.825 -10.171 -0.538 1.00 0.00 C ATOM 1039 CE2 TYR A 600 37.990 -9.048 -2.360 1.00 0.00 C ATOM 1040 CZ TYR A 600 37.427 -10.219 -1.813 1.00 0.00 C ATOM 1041 OH TYR A 600 37.470 -11.395 -2.499 1.00 0.00 O ATOM 0 H TYR A 600 36.888 -4.377 1.633 1.00 0.00 H new ATOM 0 HA TYR A 600 38.723 -5.306 -0.309 1.00 0.00 H new ATOM 0 HB2 TYR A 600 37.595 -6.627 1.386 1.00 0.00 H new ATOM 0 HB3 TYR A 600 36.054 -6.345 0.602 1.00 0.00 H new ATOM 0 HD1 TYR A 600 36.342 -8.934 1.160 1.00 0.00 H new ATOM 0 HD2 TYR A 600 38.375 -6.944 -2.065 1.00 0.00 H new ATOM 0 HE1 TYR A 600 36.400 -11.066 -0.107 1.00 0.00 H new ATOM 0 HE2 TYR A 600 38.469 -9.081 -3.328 1.00 0.00 H new ATOM 0 HH TYR A 600 37.917 -11.255 -3.360 1.00 0.00 H new ATOM 1051 N HIS A 601 35.847 -4.342 -1.637 1.00 0.00 N ATOM 1052 CA HIS A 601 35.214 -3.949 -2.904 1.00 0.00 C ATOM 1053 C HIS A 601 35.948 -2.824 -3.654 1.00 0.00 C ATOM 1054 O HIS A 601 36.167 -2.952 -4.858 1.00 0.00 O ATOM 1055 CB HIS A 601 33.753 -3.559 -2.631 1.00 0.00 C ATOM 1056 CG HIS A 601 32.991 -3.090 -3.846 1.00 0.00 C ATOM 1057 ND1 HIS A 601 32.515 -3.915 -4.871 1.00 0.00 N ATOM 1058 CD2 HIS A 601 32.611 -1.805 -4.097 1.00 0.00 C ATOM 1059 CE1 HIS A 601 31.862 -3.099 -5.719 1.00 0.00 C ATOM 1060 NE2 HIS A 601 31.906 -1.831 -5.281 1.00 0.00 N ATOM 0 H HIS A 601 35.227 -4.269 -0.831 1.00 0.00 H new ATOM 0 HA HIS A 601 35.266 -4.812 -3.568 1.00 0.00 H new ATOM 0 HB2 HIS A 601 33.235 -4.417 -2.203 1.00 0.00 H new ATOM 0 HB3 HIS A 601 33.736 -2.769 -1.880 1.00 0.00 H new ATOM 0 HD2 HIS A 601 32.821 -0.938 -3.488 1.00 0.00 H new ATOM 0 HE1 HIS A 601 31.371 -3.420 -6.626 1.00 0.00 H new ATOM 0 HE2 HIS A 601 31.489 -1.024 -5.745 1.00 0.00 H new ATOM 1068 N GLU A 602 36.361 -1.744 -2.980 1.00 0.00 N ATOM 1069 CA GLU A 602 37.054 -0.618 -3.629 1.00 0.00 C ATOM 1070 C GLU A 602 38.560 -0.865 -3.873 1.00 0.00 C ATOM 1071 O GLU A 602 39.134 -0.290 -4.801 1.00 0.00 O ATOM 1072 CB GLU A 602 36.794 0.688 -2.855 1.00 0.00 C ATOM 1073 CG GLU A 602 37.660 0.898 -1.598 1.00 0.00 C ATOM 1074 CD GLU A 602 37.341 2.220 -0.853 1.00 0.00 C ATOM 1075 OE1 GLU A 602 36.151 2.594 -0.695 1.00 0.00 O ATOM 1076 OE2 GLU A 602 38.295 2.909 -0.412 1.00 0.00 O ATOM 0 H GLU A 602 36.227 -1.623 -1.976 1.00 0.00 H new ATOM 0 HA GLU A 602 36.628 -0.521 -4.628 1.00 0.00 H new ATOM 0 HB2 GLU A 602 36.955 1.528 -3.530 1.00 0.00 H new ATOM 0 HB3 GLU A 602 35.745 0.712 -2.560 1.00 0.00 H new ATOM 0 HG2 GLU A 602 37.511 0.060 -0.918 1.00 0.00 H new ATOM 0 HG3 GLU A 602 38.712 0.894 -1.884 1.00 0.00 H new ATOM 1083 N THR A 603 39.211 -1.713 -3.064 1.00 0.00 N ATOM 1084 CA THR A 603 40.661 -2.001 -3.162 1.00 0.00 C ATOM 1085 C THR A 603 40.965 -3.085 -4.203 1.00 0.00 C ATOM 1086 O THR A 603 41.993 -3.029 -4.881 1.00 0.00 O ATOM 1087 CB THR A 603 41.248 -2.401 -1.792 1.00 0.00 C ATOM 1088 OG1 THR A 603 41.058 -1.350 -0.867 1.00 0.00 O ATOM 1089 CG2 THR A 603 42.755 -2.679 -1.815 1.00 0.00 C ATOM 0 H THR A 603 38.747 -2.226 -2.314 1.00 0.00 H new ATOM 0 HA THR A 603 41.139 -1.078 -3.491 1.00 0.00 H new ATOM 0 HB THR A 603 40.726 -3.317 -1.515 1.00 0.00 H new ATOM 0 HG1 THR A 603 40.177 -1.439 -0.447 1.00 0.00 H new ATOM 0 HG21 THR A 603 43.090 -2.953 -0.815 1.00 0.00 H new ATOM 0 HG22 THR A 603 42.964 -3.497 -2.505 1.00 0.00 H new ATOM 0 HG23 THR A 603 43.285 -1.785 -2.142 1.00 0.00 H new ATOM 1097 N SER A 604 40.063 -4.060 -4.358 1.00 0.00 N ATOM 1098 CA SER A 604 40.221 -5.213 -5.251 1.00 0.00 C ATOM 1099 C SER A 604 38.872 -5.616 -5.866 1.00 0.00 C ATOM 1100 O SER A 604 38.266 -6.631 -5.513 1.00 0.00 O ATOM 1101 CB SER A 604 40.914 -6.361 -4.498 1.00 0.00 C ATOM 1102 OG SER A 604 41.322 -7.390 -5.387 1.00 0.00 O ATOM 0 H SER A 604 39.178 -4.069 -3.851 1.00 0.00 H new ATOM 0 HA SER A 604 40.864 -4.945 -6.090 1.00 0.00 H new ATOM 0 HB2 SER A 604 41.781 -5.976 -3.962 1.00 0.00 H new ATOM 0 HB3 SER A 604 40.234 -6.771 -3.751 1.00 0.00 H new ATOM 0 HG SER A 604 41.761 -8.105 -4.880 1.00 0.00 H new ATOM 1108 N GLN A 605 38.375 -4.775 -6.782 1.00 0.00 N ATOM 1109 CA GLN A 605 37.130 -5.016 -7.526 1.00 0.00 C ATOM 1110 C GLN A 605 37.275 -6.155 -8.562 1.00 0.00 C ATOM 1111 O GLN A 605 36.314 -6.875 -8.843 1.00 0.00 O ATOM 1112 CB GLN A 605 36.698 -3.696 -8.190 1.00 0.00 C ATOM 1113 CG GLN A 605 35.253 -3.752 -8.720 1.00 0.00 C ATOM 1114 CD GLN A 605 34.704 -2.388 -9.145 1.00 0.00 C ATOM 1115 OE1 GLN A 605 35.394 -1.378 -9.217 1.00 0.00 O ATOM 1116 NE2 GLN A 605 33.428 -2.304 -9.462 1.00 0.00 N ATOM 0 H GLN A 605 38.831 -3.897 -7.031 1.00 0.00 H new ATOM 0 HA GLN A 605 36.359 -5.349 -6.831 1.00 0.00 H new ATOM 0 HB2 GLN A 605 36.787 -2.883 -7.469 1.00 0.00 H new ATOM 0 HB3 GLN A 605 37.375 -3.467 -9.013 1.00 0.00 H new ATOM 0 HG2 GLN A 605 35.213 -4.432 -9.571 1.00 0.00 H new ATOM 0 HG3 GLN A 605 34.607 -4.170 -7.948 1.00 0.00 H new ATOM 0 HE21 GLN A 605 32.834 -3.132 -9.410 1.00 0.00 H new ATOM 0 HE22 GLN A 605 33.034 -1.411 -9.760 1.00 0.00 H new ATOM 1125 N ASN A 606 38.478 -6.329 -9.126 1.00 0.00 N ATOM 1126 CA ASN A 606 38.840 -7.429 -10.026 1.00 0.00 C ATOM 1127 C ASN A 606 38.935 -8.783 -9.281 1.00 0.00 C ATOM 1128 O ASN A 606 39.236 -8.816 -8.085 1.00 0.00 O ATOM 1129 CB ASN A 606 40.164 -7.053 -10.721 1.00 0.00 C ATOM 1130 CG ASN A 606 40.566 -8.032 -11.814 1.00 0.00 C ATOM 1131 OD1 ASN A 606 39.741 -8.541 -12.560 1.00 0.00 O ATOM 1132 ND2 ASN A 606 41.837 -8.345 -11.937 1.00 0.00 N ATOM 0 H ASN A 606 39.251 -5.685 -8.962 1.00 0.00 H new ATOM 0 HA ASN A 606 38.059 -7.568 -10.773 1.00 0.00 H new ATOM 0 HB2 ASN A 606 40.071 -6.056 -11.152 1.00 0.00 H new ATOM 0 HB3 ASN A 606 40.958 -7.005 -9.975 1.00 0.00 H new ATOM 0 HD21 ASN A 606 42.132 -9.010 -12.652 1.00 0.00 H new ATOM 0 HD22 ASN A 606 42.528 -7.923 -11.317 1.00 0.00 H new ATOM 1139 N SER A 607 38.727 -9.897 -9.993 1.00 0.00 N ATOM 1140 CA SER A 607 38.717 -11.267 -9.439 1.00 0.00 C ATOM 1141 C SER A 607 39.677 -12.214 -10.173 1.00 0.00 C ATOM 1142 O SER A 607 39.872 -12.089 -11.387 1.00 0.00 O ATOM 1143 CB SER A 607 37.299 -11.856 -9.469 1.00 0.00 C ATOM 1144 OG SER A 607 36.400 -11.055 -8.714 1.00 0.00 O ATOM 0 H SER A 607 38.556 -9.876 -10.998 1.00 0.00 H new ATOM 0 HA SER A 607 39.061 -11.180 -8.408 1.00 0.00 H new ATOM 0 HB2 SER A 607 36.952 -11.926 -10.500 1.00 0.00 H new ATOM 0 HB3 SER A 607 37.314 -12.870 -9.068 1.00 0.00 H new ATOM 0 HG SER A 607 35.503 -11.448 -8.749 1.00 0.00 H new ATOM 1150 N SER A 608 40.235 -13.184 -9.429 1.00 0.00 N ATOM 1151 CA SER A 608 41.225 -14.199 -9.855 1.00 0.00 C ATOM 1152 C SER A 608 42.517 -13.604 -10.462 1.00 0.00 C ATOM 1153 O SER A 608 42.693 -13.559 -11.703 1.00 0.00 O ATOM 1154 CB SER A 608 40.543 -15.272 -10.713 1.00 0.00 C ATOM 1155 OG SER A 608 41.377 -16.418 -10.779 1.00 0.00 O ATOM 1156 OXT SER A 608 43.376 -13.160 -9.665 1.00 0.00 O ATOM 0 H SER A 608 39.992 -13.291 -8.444 1.00 0.00 H new ATOM 0 HA SER A 608 41.599 -14.698 -8.961 1.00 0.00 H new ATOM 0 HB2 SER A 608 39.576 -15.536 -10.285 1.00 0.00 H new ATOM 0 HB3 SER A 608 40.354 -14.887 -11.715 1.00 0.00 H new ATOM 0 HG SER A 608 40.944 -17.107 -11.325 1.00 0.00 H new TER 1162 SER A 608 HETATM 1163 ZN ZN A 701 38.758 -0.967 6.220 1.00 0.00 ZN