USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=20 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 605 GLN : amide:sc= 0.571 K(o=1.4,f=0.29) USER MOD Set 1.2: A 606 ASN : amide:sc= 0.805 K(o=1.4,f=0.045) USER MOD Set 2.1: A 586 ASN : amide:sc= 2.36 K(o=4.7,f=-3.4!) USER MOD Set 2.2: A 597 SER OG : rot 140:sc= 1.75 USER MOD Set 2.3: A 598 THR OG1 : rot 150:sc= 0.564 USER MOD Single : A 535 SER OG : rot 180:sc= 0 USER MOD Single : A 538 SER OG : rot 180:sc= 0.0801 USER MOD Single : A 541 SER OG : rot 180:sc= 0 USER MOD Single : A 542 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 549 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 171:sc= 0.00838 USER MOD Single : A 558 GLN : amide:sc= 0.81 K(o=0.81,f=0) USER MOD Single : A 560 MET CE :methyl 155:sc= 0 (180deg=-0.922) 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 83:sc= 0.866 USER MOD Single : A 585 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 587 THR OG1 : rot 65:sc= 0.724 USER MOD Single : A 591 ASN : amide:sc= -0.0323 X(o=-0.032,f=-0.03) 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 600 TYR OH : rot 180:sc= 0 USER MOD Single : A 601 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 603 THR OG1 : rot 88:sc= 0.151 USER MOD Single : A 604 SER OG : rot -87:sc= 0.704 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 8.290 1.808 -8.564 1.00 0.00 N ATOM 2 CA GLY A 533 9.242 2.547 -7.707 1.00 0.00 C ATOM 3 C GLY A 533 9.376 3.991 -8.159 1.00 0.00 C ATOM 4 O GLY A 533 9.602 4.249 -9.342 1.00 0.00 O ATOM 0 HA2 GLY A 533 8.903 2.517 -6.671 1.00 0.00 H new ATOM 0 HA3 GLY A 533 10.217 2.061 -7.738 1.00 0.00 H new ATOM 10 N GLY A 534 9.222 4.946 -7.236 1.00 0.00 N ATOM 11 CA GLY A 534 9.298 6.390 -7.512 1.00 0.00 C ATOM 12 C GLY A 534 10.716 6.985 -7.512 1.00 0.00 C ATOM 13 O GLY A 534 10.942 8.003 -8.173 1.00 0.00 O ATOM 0 H GLY A 534 9.037 4.736 -6.255 1.00 0.00 H new ATOM 0 HA2 GLY A 534 8.841 6.582 -8.483 1.00 0.00 H new ATOM 0 HA3 GLY A 534 8.700 6.917 -6.768 1.00 0.00 H new ATOM 17 N SER A 535 11.671 6.379 -6.792 1.00 0.00 N ATOM 18 CA SER A 535 13.039 6.925 -6.622 1.00 0.00 C ATOM 19 C SER A 535 14.127 5.894 -6.261 1.00 0.00 C ATOM 20 O SER A 535 15.293 6.256 -6.090 1.00 0.00 O ATOM 21 CB SER A 535 13.017 8.053 -5.574 1.00 0.00 C ATOM 22 OG SER A 535 12.638 7.580 -4.286 1.00 0.00 O ATOM 0 H SER A 535 11.523 5.494 -6.307 1.00 0.00 H new ATOM 0 HA SER A 535 13.323 7.299 -7.605 1.00 0.00 H new ATOM 0 HB2 SER A 535 14.004 8.512 -5.515 1.00 0.00 H new ATOM 0 HB3 SER A 535 12.323 8.830 -5.893 1.00 0.00 H new ATOM 0 HG SER A 535 12.638 8.326 -3.650 1.00 0.00 H new ATOM 28 N GLU A 536 13.788 4.607 -6.143 1.00 0.00 N ATOM 29 CA GLU A 536 14.693 3.525 -5.717 1.00 0.00 C ATOM 30 C GLU A 536 15.793 3.192 -6.748 1.00 0.00 C ATOM 31 O GLU A 536 16.834 2.629 -6.388 1.00 0.00 O ATOM 32 CB GLU A 536 13.866 2.260 -5.418 1.00 0.00 C ATOM 33 CG GLU A 536 12.945 2.362 -4.186 1.00 0.00 C ATOM 34 CD GLU A 536 11.657 3.205 -4.351 1.00 0.00 C ATOM 35 OE1 GLU A 536 11.248 3.532 -5.492 1.00 0.00 O ATOM 36 OE2 GLU A 536 11.025 3.535 -3.318 1.00 0.00 O ATOM 0 H GLU A 536 12.846 4.274 -6.347 1.00 0.00 H new ATOM 0 HA GLU A 536 15.207 3.879 -4.823 1.00 0.00 H new ATOM 0 HB2 GLU A 536 13.256 2.028 -6.291 1.00 0.00 H new ATOM 0 HB3 GLU A 536 14.549 1.423 -5.274 1.00 0.00 H new ATOM 0 HG2 GLU A 536 12.656 1.353 -3.892 1.00 0.00 H new ATOM 0 HG3 GLU A 536 13.523 2.781 -3.362 1.00 0.00 H new ATOM 43 N PHE A 537 15.587 3.563 -8.018 1.00 0.00 N ATOM 44 CA PHE A 537 16.487 3.302 -9.145 1.00 0.00 C ATOM 45 C PHE A 537 16.696 4.562 -10.001 1.00 0.00 C ATOM 46 O PHE A 537 15.762 5.329 -10.256 1.00 0.00 O ATOM 47 CB PHE A 537 15.955 2.126 -9.981 1.00 0.00 C ATOM 48 CG PHE A 537 15.739 0.854 -9.181 1.00 0.00 C ATOM 49 CD1 PHE A 537 14.456 0.520 -8.702 1.00 0.00 C ATOM 50 CD2 PHE A 537 16.833 0.020 -8.880 1.00 0.00 C ATOM 51 CE1 PHE A 537 14.272 -0.633 -7.916 1.00 0.00 C ATOM 52 CE2 PHE A 537 16.648 -1.135 -8.099 1.00 0.00 C ATOM 53 CZ PHE A 537 15.369 -1.459 -7.612 1.00 0.00 C ATOM 0 H PHE A 537 14.751 4.076 -8.299 1.00 0.00 H new ATOM 0 HA PHE A 537 17.465 3.026 -8.752 1.00 0.00 H new ATOM 0 HB2 PHE A 537 15.012 2.418 -10.443 1.00 0.00 H new ATOM 0 HB3 PHE A 537 16.656 1.921 -10.790 1.00 0.00 H new ATOM 0 HD1 PHE A 537 13.612 1.151 -8.939 1.00 0.00 H new ATOM 0 HD2 PHE A 537 17.817 0.268 -9.250 1.00 0.00 H new ATOM 0 HE1 PHE A 537 13.289 -0.883 -7.546 1.00 0.00 H new ATOM 0 HE2 PHE A 537 17.489 -1.774 -7.873 1.00 0.00 H new ATOM 0 HZ PHE A 537 15.229 -2.341 -7.005 1.00 0.00 H new ATOM 63 N SER A 538 17.940 4.777 -10.432 1.00 0.00 N ATOM 64 CA SER A 538 18.411 5.966 -11.161 1.00 0.00 C ATOM 65 C SER A 538 19.770 5.675 -11.827 1.00 0.00 C ATOM 66 O SER A 538 20.180 4.517 -11.946 1.00 0.00 O ATOM 67 CB SER A 538 18.517 7.142 -10.170 1.00 0.00 C ATOM 68 OG SER A 538 19.542 6.912 -9.213 1.00 0.00 O ATOM 0 H SER A 538 18.685 4.098 -10.277 1.00 0.00 H new ATOM 0 HA SER A 538 17.706 6.227 -11.950 1.00 0.00 H new ATOM 0 HB2 SER A 538 18.723 8.063 -10.715 1.00 0.00 H new ATOM 0 HB3 SER A 538 17.563 7.280 -9.660 1.00 0.00 H new ATOM 0 HG SER A 538 19.591 7.672 -8.597 1.00 0.00 H new ATOM 74 N ASP A 539 20.511 6.715 -12.225 1.00 0.00 N ATOM 75 CA ASP A 539 21.911 6.618 -12.676 1.00 0.00 C ATOM 76 C ASP A 539 22.917 6.246 -11.552 1.00 0.00 C ATOM 77 O ASP A 539 24.123 6.161 -11.806 1.00 0.00 O ATOM 78 CB ASP A 539 22.317 7.936 -13.368 1.00 0.00 C ATOM 79 CG ASP A 539 21.460 8.332 -14.589 1.00 0.00 C ATOM 80 OD1 ASP A 539 20.931 7.444 -15.303 1.00 0.00 O ATOM 81 OD2 ASP A 539 21.353 9.550 -14.873 1.00 0.00 O ATOM 0 H ASP A 539 20.150 7.669 -12.244 1.00 0.00 H new ATOM 0 HA ASP A 539 21.959 5.790 -13.383 1.00 0.00 H new ATOM 0 HB2 ASP A 539 22.269 8.741 -12.635 1.00 0.00 H new ATOM 0 HB3 ASP A 539 23.357 7.855 -13.686 1.00 0.00 H new ATOM 86 N ARG A 540 22.449 6.022 -10.309 1.00 0.00 N ATOM 87 CA ARG A 540 23.259 5.600 -9.148 1.00 0.00 C ATOM 88 C ARG A 540 24.048 4.299 -9.369 1.00 0.00 C ATOM 89 O ARG A 540 23.655 3.434 -10.157 1.00 0.00 O ATOM 90 CB ARG A 540 22.388 5.503 -7.890 1.00 0.00 C ATOM 91 CG ARG A 540 21.395 4.331 -7.902 1.00 0.00 C ATOM 92 CD ARG A 540 20.732 4.276 -6.530 1.00 0.00 C ATOM 93 NE ARG A 540 19.811 3.130 -6.392 1.00 0.00 N ATOM 94 CZ ARG A 540 20.121 1.876 -6.112 1.00 0.00 C ATOM 95 NH1 ARG A 540 21.342 1.438 -5.996 1.00 0.00 N ATOM 96 NH2 ARG A 540 19.173 1.006 -5.931 1.00 0.00 N ATOM 0 H ARG A 540 21.462 6.134 -10.077 1.00 0.00 H new ATOM 0 HA ARG A 540 24.011 6.377 -9.012 1.00 0.00 H new ATOM 0 HB2 ARG A 540 23.036 5.407 -7.019 1.00 0.00 H new ATOM 0 HB3 ARG A 540 21.833 6.434 -7.773 1.00 0.00 H new ATOM 0 HG2 ARG A 540 20.648 4.470 -8.683 1.00 0.00 H new ATOM 0 HG3 ARG A 540 21.910 3.395 -8.116 1.00 0.00 H new ATOM 0 HD2 ARG A 540 21.502 4.214 -5.761 1.00 0.00 H new ATOM 0 HD3 ARG A 540 20.183 5.202 -6.358 1.00 0.00 H new ATOM 0 HE ARG A 540 18.820 3.329 -6.529 1.00 0.00 H new ATOM 0 HH11 ARG A 540 22.127 2.077 -6.123 1.00 0.00 H new ATOM 0 HH12 ARG A 540 21.513 0.456 -5.778 1.00 0.00 H new ATOM 0 HH21 ARG A 540 18.197 1.292 -6.005 1.00 0.00 H new ATOM 0 HH22 ARG A 540 19.405 0.037 -5.715 1.00 0.00 H new ATOM 110 N SER A 541 25.131 4.137 -8.611 1.00 0.00 N ATOM 111 CA SER A 541 25.888 2.884 -8.498 1.00 0.00 C ATOM 112 C SER A 541 25.226 1.903 -7.513 1.00 0.00 C ATOM 113 O SER A 541 24.301 2.252 -6.764 1.00 0.00 O ATOM 114 CB SER A 541 27.329 3.202 -8.075 1.00 0.00 C ATOM 115 OG SER A 541 27.354 3.739 -6.762 1.00 0.00 O ATOM 0 H SER A 541 25.519 4.890 -8.043 1.00 0.00 H new ATOM 0 HA SER A 541 25.896 2.393 -9.471 1.00 0.00 H new ATOM 0 HB2 SER A 541 27.934 2.297 -8.116 1.00 0.00 H new ATOM 0 HB3 SER A 541 27.771 3.913 -8.773 1.00 0.00 H new ATOM 0 HG SER A 541 28.280 3.935 -6.506 1.00 0.00 H new ATOM 121 N ASN A 542 25.730 0.664 -7.493 1.00 0.00 N ATOM 122 CA ASN A 542 25.386 -0.351 -6.486 1.00 0.00 C ATOM 123 C ASN A 542 26.272 -0.273 -5.220 1.00 0.00 C ATOM 124 O ASN A 542 26.046 -1.011 -4.263 1.00 0.00 O ATOM 125 CB ASN A 542 25.450 -1.751 -7.129 1.00 0.00 C ATOM 126 CG ASN A 542 24.477 -1.965 -8.279 1.00 0.00 C ATOM 127 OD1 ASN A 542 23.486 -1.270 -8.460 1.00 0.00 O ATOM 128 ND2 ASN A 542 24.731 -2.949 -9.113 1.00 0.00 N ATOM 0 H ASN A 542 26.400 0.331 -8.187 1.00 0.00 H new ATOM 0 HA ASN A 542 24.370 -0.151 -6.146 1.00 0.00 H new ATOM 0 HB2 ASN A 542 26.463 -1.924 -7.491 1.00 0.00 H new ATOM 0 HB3 ASN A 542 25.254 -2.499 -6.360 1.00 0.00 H new ATOM 0 HD21 ASN A 542 24.106 -3.125 -9.899 1.00 0.00 H new ATOM 0 HD22 ASN A 542 25.554 -3.536 -8.974 1.00 0.00 H new ATOM 135 N GLU A 543 27.275 0.614 -5.176 1.00 0.00 N ATOM 136 CA GLU A 543 28.262 0.700 -4.079 1.00 0.00 C ATOM 137 C GLU A 543 27.628 1.044 -2.719 1.00 0.00 C ATOM 138 O GLU A 543 28.123 0.620 -1.671 1.00 0.00 O ATOM 139 CB GLU A 543 29.339 1.744 -4.424 1.00 0.00 C ATOM 140 CG GLU A 543 30.170 1.380 -5.667 1.00 0.00 C ATOM 141 CD GLU A 543 31.150 2.506 -6.074 1.00 0.00 C ATOM 142 OE1 GLU A 543 31.823 3.099 -5.195 1.00 0.00 O ATOM 143 OE2 GLU A 543 31.272 2.796 -7.289 1.00 0.00 O ATOM 0 H GLU A 543 27.430 1.305 -5.910 1.00 0.00 H new ATOM 0 HA GLU A 543 28.708 -0.290 -3.982 1.00 0.00 H new ATOM 0 HB2 GLU A 543 28.859 2.709 -4.587 1.00 0.00 H new ATOM 0 HB3 GLU A 543 30.008 1.860 -3.571 1.00 0.00 H new ATOM 0 HG2 GLU A 543 30.732 0.467 -5.470 1.00 0.00 H new ATOM 0 HG3 GLU A 543 29.499 1.168 -6.499 1.00 0.00 H new ATOM 150 N LEU A 544 26.497 1.758 -2.734 1.00 0.00 N ATOM 151 CA LEU A 544 25.708 2.098 -1.543 1.00 0.00 C ATOM 152 C LEU A 544 25.156 0.850 -0.827 1.00 0.00 C ATOM 153 O LEU A 544 24.975 0.859 0.390 1.00 0.00 O ATOM 154 CB LEU A 544 24.536 3.011 -1.963 1.00 0.00 C ATOM 155 CG LEU A 544 24.918 4.315 -2.693 1.00 0.00 C ATOM 156 CD1 LEU A 544 23.653 5.068 -3.111 1.00 0.00 C ATOM 157 CD2 LEU A 544 25.755 5.246 -1.813 1.00 0.00 C ATOM 0 H LEU A 544 26.094 2.125 -3.596 1.00 0.00 H new ATOM 0 HA LEU A 544 26.367 2.609 -0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 544 23.870 2.439 -2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 544 23.968 3.272 -1.070 1.00 0.00 H new ATOM 0 HG LEU A 544 25.510 4.029 -3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 544 23.930 5.988 -3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 544 23.061 4.442 -3.779 1.00 0.00 H new ATOM 0 HD13 LEU A 544 23.065 5.311 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 544 26.000 6.150 -2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 544 25.187 5.511 -0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 544 26.675 4.740 -1.520 1.00 0.00 H new ATOM 169 N GLU A 545 24.898 -0.232 -1.569 1.00 0.00 N ATOM 170 CA GLU A 545 24.330 -1.485 -1.048 1.00 0.00 C ATOM 171 C GLU A 545 25.390 -2.383 -0.380 1.00 0.00 C ATOM 172 O GLU A 545 25.051 -3.231 0.447 1.00 0.00 O ATOM 173 CB GLU A 545 23.591 -2.221 -2.187 1.00 0.00 C ATOM 174 CG GLU A 545 22.448 -1.390 -2.802 1.00 0.00 C ATOM 175 CD GLU A 545 21.813 -2.014 -4.064 1.00 0.00 C ATOM 176 OE1 GLU A 545 21.745 -3.261 -4.185 1.00 0.00 O ATOM 177 OE2 GLU A 545 21.357 -1.235 -4.940 1.00 0.00 O ATOM 0 H GLU A 545 25.082 -0.264 -2.572 1.00 0.00 H new ATOM 0 HA GLU A 545 23.618 -1.237 -0.261 1.00 0.00 H new ATOM 0 HB2 GLU A 545 24.306 -2.479 -2.968 1.00 0.00 H new ATOM 0 HB3 GLU A 545 23.186 -3.157 -1.804 1.00 0.00 H new ATOM 0 HG2 GLU A 545 21.671 -1.251 -2.050 1.00 0.00 H new ATOM 0 HG3 GLU A 545 22.829 -0.400 -3.053 1.00 0.00 H new ATOM 184 N ILE A 546 26.680 -2.172 -0.672 1.00 0.00 N ATOM 185 CA ILE A 546 27.805 -2.905 -0.058 1.00 0.00 C ATOM 186 C ILE A 546 27.940 -2.568 1.435 1.00 0.00 C ATOM 187 O ILE A 546 28.274 -3.433 2.246 1.00 0.00 O ATOM 188 CB ILE A 546 29.121 -2.596 -0.811 1.00 0.00 C ATOM 189 CG1 ILE A 546 29.070 -2.890 -2.329 1.00 0.00 C ATOM 190 CG2 ILE A 546 30.300 -3.352 -0.181 1.00 0.00 C ATOM 191 CD1 ILE A 546 29.127 -4.380 -2.690 1.00 0.00 C ATOM 0 H ILE A 546 26.981 -1.475 -1.353 1.00 0.00 H new ATOM 0 HA ILE A 546 27.599 -3.972 -0.139 1.00 0.00 H new ATOM 0 HB ILE A 546 29.262 -1.520 -0.708 1.00 0.00 H new ATOM 0 HG12 ILE A 546 28.154 -2.465 -2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 546 29.902 -2.380 -2.813 1.00 0.00 H new ATOM 0 HG21 ILE A 546 31.215 -3.120 -0.727 1.00 0.00 H new ATOM 0 HG22 ILE A 546 30.412 -3.049 0.860 1.00 0.00 H new ATOM 0 HG23 ILE A 546 30.112 -4.425 -0.229 1.00 0.00 H new ATOM 0 HD11 ILE A 546 29.086 -4.494 -3.773 1.00 0.00 H new ATOM 0 HD12 ILE A 546 30.056 -4.810 -2.315 1.00 0.00 H new ATOM 0 HD13 ILE A 546 28.280 -4.896 -2.239 1.00 0.00 H new ATOM 203 N ARG A 547 27.594 -1.337 1.837 1.00 0.00 N ATOM 204 CA ARG A 547 27.504 -0.919 3.251 1.00 0.00 C ATOM 205 C ARG A 547 26.514 -1.769 4.061 1.00 0.00 C ATOM 206 O ARG A 547 26.672 -1.899 5.276 1.00 0.00 O ATOM 207 CB ARG A 547 27.072 0.559 3.326 1.00 0.00 C ATOM 208 CG ARG A 547 28.009 1.567 2.637 1.00 0.00 C ATOM 209 CD ARG A 547 29.404 1.624 3.274 1.00 0.00 C ATOM 210 NE ARG A 547 30.199 2.716 2.687 1.00 0.00 N ATOM 211 CZ ARG A 547 31.429 3.066 3.013 1.00 0.00 C ATOM 212 NH1 ARG A 547 32.103 2.466 3.947 1.00 0.00 N ATOM 213 NH2 ARG A 547 32.019 4.057 2.406 1.00 0.00 N ATOM 0 H ARG A 547 27.365 -0.589 1.182 1.00 0.00 H new ATOM 0 HA ARG A 547 28.493 -1.059 3.687 1.00 0.00 H new ATOM 0 HB2 ARG A 547 26.081 0.651 2.882 1.00 0.00 H new ATOM 0 HB3 ARG A 547 26.978 0.838 4.376 1.00 0.00 H new ATOM 0 HG2 ARG A 547 28.107 1.302 1.584 1.00 0.00 H new ATOM 0 HG3 ARG A 547 27.558 2.558 2.675 1.00 0.00 H new ATOM 0 HD2 ARG A 547 29.312 1.772 4.350 1.00 0.00 H new ATOM 0 HD3 ARG A 547 29.916 0.674 3.125 1.00 0.00 H new ATOM 0 HE ARG A 547 29.751 3.260 1.950 1.00 0.00 H new ATOM 0 HH11 ARG A 547 31.684 1.691 4.461 1.00 0.00 H new ATOM 0 HH12 ARG A 547 33.052 2.769 4.166 1.00 0.00 H new ATOM 0 HH21 ARG A 547 31.530 4.569 1.672 1.00 0.00 H new ATOM 0 HH22 ARG A 547 32.970 4.320 2.665 1.00 0.00 H new ATOM 227 N GLY A 548 25.522 -2.364 3.397 1.00 0.00 N ATOM 228 CA GLY A 548 24.480 -3.212 3.984 1.00 0.00 C ATOM 229 C GLY A 548 24.907 -4.659 4.274 1.00 0.00 C ATOM 230 O GLY A 548 24.141 -5.382 4.910 1.00 0.00 O ATOM 0 H GLY A 548 25.417 -2.264 2.387 1.00 0.00 H new ATOM 0 HA2 GLY A 548 24.142 -2.755 4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 548 23.624 -3.230 3.309 1.00 0.00 H new ATOM 234 N LYS A 549 26.105 -5.101 3.849 1.00 0.00 N ATOM 235 CA LYS A 549 26.656 -6.419 4.242 1.00 0.00 C ATOM 236 C LYS A 549 26.973 -6.460 5.746 1.00 0.00 C ATOM 237 O LYS A 549 27.395 -5.461 6.323 1.00 0.00 O ATOM 238 CB LYS A 549 27.921 -6.761 3.435 1.00 0.00 C ATOM 239 CG LYS A 549 27.817 -6.788 1.896 1.00 0.00 C ATOM 240 CD LYS A 549 26.665 -7.628 1.315 1.00 0.00 C ATOM 241 CE LYS A 549 25.493 -6.728 0.894 1.00 0.00 C ATOM 242 NZ LYS A 549 24.323 -7.525 0.446 1.00 0.00 N ATOM 0 H LYS A 549 26.715 -4.565 3.231 1.00 0.00 H new ATOM 0 HA LYS A 549 25.892 -7.165 4.023 1.00 0.00 H new ATOM 0 HB2 LYS A 549 28.693 -6.040 3.704 1.00 0.00 H new ATOM 0 HB3 LYS A 549 28.271 -7.740 3.763 1.00 0.00 H new ATOM 0 HG2 LYS A 549 27.709 -5.763 1.540 1.00 0.00 H new ATOM 0 HG3 LYS A 549 28.756 -7.168 1.494 1.00 0.00 H new ATOM 0 HD2 LYS A 549 27.021 -8.196 0.455 1.00 0.00 H new ATOM 0 HD3 LYS A 549 26.326 -8.351 2.057 1.00 0.00 H new ATOM 0 HE2 LYS A 549 25.202 -6.093 1.731 1.00 0.00 H new ATOM 0 HE3 LYS A 549 25.813 -6.067 0.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 549 23.552 -6.884 0.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 549 24.594 -8.112 -0.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 549 24.002 -8.138 1.223 1.00 0.00 H new ATOM 256 N TYR A 550 26.822 -7.622 6.377 1.00 0.00 N ATOM 257 CA TYR A 550 27.262 -7.859 7.761 1.00 0.00 C ATOM 258 C TYR A 550 27.626 -9.322 8.025 1.00 0.00 C ATOM 259 O TYR A 550 27.225 -10.227 7.283 1.00 0.00 O ATOM 260 CB TYR A 550 26.212 -7.373 8.784 1.00 0.00 C ATOM 261 CG TYR A 550 24.845 -8.020 8.683 1.00 0.00 C ATOM 262 CD1 TYR A 550 23.844 -7.434 7.885 1.00 0.00 C ATOM 263 CD2 TYR A 550 24.564 -9.196 9.406 1.00 0.00 C ATOM 264 CE1 TYR A 550 22.565 -8.017 7.808 1.00 0.00 C ATOM 265 CE2 TYR A 550 23.285 -9.784 9.330 1.00 0.00 C ATOM 266 CZ TYR A 550 22.278 -9.199 8.527 1.00 0.00 C ATOM 267 OH TYR A 550 21.034 -9.746 8.456 1.00 0.00 O ATOM 0 H TYR A 550 26.388 -8.437 5.943 1.00 0.00 H new ATOM 0 HA TYR A 550 28.170 -7.271 7.891 1.00 0.00 H new ATOM 0 HB2 TYR A 550 26.602 -7.546 9.787 1.00 0.00 H new ATOM 0 HB3 TYR A 550 26.093 -6.296 8.670 1.00 0.00 H new ATOM 0 HD1 TYR A 550 24.058 -6.533 7.329 1.00 0.00 H new ATOM 0 HD2 TYR A 550 25.330 -9.648 10.019 1.00 0.00 H new ATOM 0 HE1 TYR A 550 21.801 -7.559 7.197 1.00 0.00 H new ATOM 0 HE2 TYR A 550 23.073 -10.685 9.887 1.00 0.00 H new ATOM 0 HH TYR A 550 21.001 -10.556 9.007 1.00 0.00 H new ATOM 277 N VAL A 551 28.362 -9.538 9.114 1.00 0.00 N ATOM 278 CA VAL A 551 28.722 -10.860 9.667 1.00 0.00 C ATOM 279 C VAL A 551 28.413 -10.895 11.166 1.00 0.00 C ATOM 280 O VAL A 551 28.685 -9.931 11.880 1.00 0.00 O ATOM 281 CB VAL A 551 30.189 -11.245 9.350 1.00 0.00 C ATOM 282 CG1 VAL A 551 30.298 -11.826 7.934 1.00 0.00 C ATOM 283 CG2 VAL A 551 31.219 -10.114 9.454 1.00 0.00 C ATOM 0 H VAL A 551 28.744 -8.769 9.665 1.00 0.00 H new ATOM 0 HA VAL A 551 28.111 -11.620 9.179 1.00 0.00 H new ATOM 0 HB VAL A 551 30.433 -11.970 10.126 1.00 0.00 H new ATOM 0 HG11 VAL A 551 31.335 -12.091 7.728 1.00 0.00 H new ATOM 0 HG12 VAL A 551 29.674 -12.716 7.857 1.00 0.00 H new ATOM 0 HG13 VAL A 551 29.962 -11.084 7.209 1.00 0.00 H new ATOM 0 HG21 VAL A 551 32.209 -10.500 9.211 1.00 0.00 H new ATOM 0 HG22 VAL A 551 30.958 -9.319 8.756 1.00 0.00 H new ATOM 0 HG23 VAL A 551 31.223 -9.718 10.470 1.00 0.00 H new ATOM 293 N VAL A 552 27.791 -11.967 11.649 1.00 0.00 N ATOM 294 CA VAL A 552 27.354 -12.088 13.056 1.00 0.00 C ATOM 295 C VAL A 552 28.554 -12.178 14.021 1.00 0.00 C ATOM 296 O VAL A 552 29.531 -12.877 13.753 1.00 0.00 O ATOM 297 CB VAL A 552 26.330 -13.239 13.234 1.00 0.00 C ATOM 298 CG1 VAL A 552 26.961 -14.634 13.105 1.00 0.00 C ATOM 299 CG2 VAL A 552 25.583 -13.181 14.566 1.00 0.00 C ATOM 0 H VAL A 552 27.570 -12.785 11.081 1.00 0.00 H new ATOM 0 HA VAL A 552 26.827 -11.172 13.325 1.00 0.00 H new ATOM 0 HB VAL A 552 25.624 -13.084 12.418 1.00 0.00 H new ATOM 0 HG11 VAL A 552 26.192 -15.395 13.240 1.00 0.00 H new ATOM 0 HG12 VAL A 552 27.408 -14.741 12.117 1.00 0.00 H new ATOM 0 HG13 VAL A 552 27.731 -14.757 13.867 1.00 0.00 H new ATOM 0 HG21 VAL A 552 24.882 -14.014 14.627 1.00 0.00 H new ATOM 0 HG22 VAL A 552 26.297 -13.247 15.387 1.00 0.00 H new ATOM 0 HG23 VAL A 552 25.036 -12.241 14.636 1.00 0.00 H new ATOM 309 N VAL A 553 28.460 -11.474 15.149 1.00 0.00 N ATOM 310 CA VAL A 553 29.380 -11.569 16.294 1.00 0.00 C ATOM 311 C VAL A 553 28.887 -12.684 17.242 1.00 0.00 C ATOM 312 O VAL A 553 27.832 -12.519 17.859 1.00 0.00 O ATOM 313 CB VAL A 553 29.486 -10.238 17.066 1.00 0.00 C ATOM 314 CG1 VAL A 553 30.465 -10.402 18.230 1.00 0.00 C ATOM 315 CG2 VAL A 553 30.029 -9.082 16.232 1.00 0.00 C ATOM 0 H VAL A 553 27.714 -10.795 15.301 1.00 0.00 H new ATOM 0 HA VAL A 553 30.374 -11.802 15.912 1.00 0.00 H new ATOM 0 HB VAL A 553 28.469 -10.005 17.380 1.00 0.00 H new ATOM 0 HG11 VAL A 553 30.541 -9.462 18.777 1.00 0.00 H new ATOM 0 HG12 VAL A 553 30.106 -11.183 18.900 1.00 0.00 H new ATOM 0 HG13 VAL A 553 31.446 -10.678 17.844 1.00 0.00 H new ATOM 0 HG21 VAL A 553 30.074 -8.181 16.844 1.00 0.00 H new ATOM 0 HG22 VAL A 553 31.029 -9.329 15.876 1.00 0.00 H new ATOM 0 HG23 VAL A 553 29.373 -8.909 15.379 1.00 0.00 H new ATOM 325 N PRO A 554 29.612 -13.812 17.380 1.00 0.00 N ATOM 326 CA PRO A 554 29.250 -14.873 18.323 1.00 0.00 C ATOM 327 C PRO A 554 29.613 -14.497 19.765 1.00 0.00 C ATOM 328 O PRO A 554 30.548 -13.734 20.017 1.00 0.00 O ATOM 329 CB PRO A 554 30.034 -16.093 17.824 1.00 0.00 C ATOM 330 CG PRO A 554 31.319 -15.485 17.273 1.00 0.00 C ATOM 331 CD PRO A 554 30.848 -14.161 16.684 1.00 0.00 C ATOM 0 HA PRO A 554 28.177 -15.061 18.354 1.00 0.00 H new ATOM 0 HB2 PRO A 554 30.236 -16.798 18.630 1.00 0.00 H new ATOM 0 HB3 PRO A 554 29.485 -16.637 17.055 1.00 0.00 H new ATOM 0 HG2 PRO A 554 32.063 -15.336 18.056 1.00 0.00 H new ATOM 0 HG3 PRO A 554 31.775 -16.123 16.517 1.00 0.00 H new ATOM 0 HD2 PRO A 554 31.602 -13.386 16.821 1.00 0.00 H new ATOM 0 HD3 PRO A 554 30.676 -14.253 15.612 1.00 0.00 H new ATOM 339 N GLU A 555 28.931 -15.108 20.741 1.00 0.00 N ATOM 340 CA GLU A 555 29.245 -14.950 22.169 1.00 0.00 C ATOM 341 C GLU A 555 30.692 -15.363 22.498 1.00 0.00 C ATOM 342 O GLU A 555 31.353 -14.739 23.329 1.00 0.00 O ATOM 343 CB GLU A 555 28.224 -15.761 22.992 1.00 0.00 C ATOM 344 CG GLU A 555 28.442 -15.642 24.507 1.00 0.00 C ATOM 345 CD GLU A 555 27.289 -16.242 25.335 1.00 0.00 C ATOM 346 OE1 GLU A 555 26.743 -17.316 24.974 1.00 0.00 O ATOM 347 OE2 GLU A 555 26.932 -15.661 26.391 1.00 0.00 O ATOM 0 H GLU A 555 28.142 -15.729 20.563 1.00 0.00 H new ATOM 0 HA GLU A 555 29.170 -13.895 22.431 1.00 0.00 H new ATOM 0 HB2 GLU A 555 27.217 -15.421 22.748 1.00 0.00 H new ATOM 0 HB3 GLU A 555 28.285 -16.810 22.703 1.00 0.00 H new ATOM 0 HG2 GLU A 555 29.372 -16.144 24.774 1.00 0.00 H new ATOM 0 HG3 GLU A 555 28.560 -14.591 24.769 1.00 0.00 H new ATOM 354 N THR A 556 31.200 -16.366 21.777 1.00 0.00 N ATOM 355 CA THR A 556 32.593 -16.859 21.854 1.00 0.00 C ATOM 356 C THR A 556 33.644 -15.790 21.534 1.00 0.00 C ATOM 357 O THR A 556 34.766 -15.850 22.048 1.00 0.00 O ATOM 358 CB THR A 556 32.775 -18.064 20.919 1.00 0.00 C ATOM 359 OG1 THR A 556 31.737 -19.005 21.099 1.00 0.00 O ATOM 360 CG2 THR A 556 34.100 -18.817 21.080 1.00 0.00 C ATOM 0 H THR A 556 30.640 -16.880 21.097 1.00 0.00 H new ATOM 0 HA THR A 556 32.757 -17.152 22.891 1.00 0.00 H new ATOM 0 HB THR A 556 32.762 -17.622 19.923 1.00 0.00 H new ATOM 0 HG1 THR A 556 31.873 -19.762 20.492 1.00 0.00 H new ATOM 0 HG21 THR A 556 34.133 -19.649 20.377 1.00 0.00 H new ATOM 0 HG22 THR A 556 34.930 -18.140 20.880 1.00 0.00 H new ATOM 0 HG23 THR A 556 34.180 -19.198 22.098 1.00 0.00 H new ATOM 368 N SER A 557 33.287 -14.765 20.742 1.00 0.00 N ATOM 369 CA SER A 557 34.186 -13.642 20.407 1.00 0.00 C ATOM 370 C SER A 557 34.481 -12.726 21.608 1.00 0.00 C ATOM 371 O SER A 557 35.517 -12.063 21.620 1.00 0.00 O ATOM 372 CB SER A 557 33.585 -12.813 19.264 1.00 0.00 C ATOM 373 OG SER A 557 34.530 -11.903 18.725 1.00 0.00 O ATOM 0 H SER A 557 32.364 -14.690 20.314 1.00 0.00 H new ATOM 0 HA SER A 557 35.135 -14.082 20.099 1.00 0.00 H new ATOM 0 HB2 SER A 557 33.232 -13.480 18.477 1.00 0.00 H new ATOM 0 HB3 SER A 557 32.718 -12.263 19.630 1.00 0.00 H new ATOM 0 HG SER A 557 34.165 -11.496 17.911 1.00 0.00 H new ATOM 379 N GLN A 558 33.597 -12.705 22.617 1.00 0.00 N ATOM 380 CA GLN A 558 33.667 -11.988 23.901 1.00 0.00 C ATOM 381 C GLN A 558 33.785 -10.449 23.810 1.00 0.00 C ATOM 382 O GLN A 558 32.894 -9.730 24.272 1.00 0.00 O ATOM 383 CB GLN A 558 34.744 -12.607 24.803 1.00 0.00 C ATOM 384 CG GLN A 558 34.444 -14.070 25.186 1.00 0.00 C ATOM 385 CD GLN A 558 35.725 -14.839 25.497 1.00 0.00 C ATOM 386 OE1 GLN A 558 36.285 -14.760 26.585 1.00 0.00 O ATOM 387 NE2 GLN A 558 36.232 -15.611 24.560 1.00 0.00 N ATOM 0 H GLN A 558 32.732 -13.241 22.549 1.00 0.00 H new ATOM 0 HA GLN A 558 32.689 -12.129 24.361 1.00 0.00 H new ATOM 0 HB2 GLN A 558 35.707 -12.561 24.294 1.00 0.00 H new ATOM 0 HB3 GLN A 558 34.835 -12.011 25.711 1.00 0.00 H new ATOM 0 HG2 GLN A 558 33.785 -14.092 26.054 1.00 0.00 H new ATOM 0 HG3 GLN A 558 33.913 -14.560 24.370 1.00 0.00 H new ATOM 0 HE21 GLN A 558 35.771 -15.681 23.653 1.00 0.00 H new ATOM 0 HE22 GLN A 558 37.086 -16.139 24.741 1.00 0.00 H new ATOM 396 N ASP A 559 34.859 -9.931 23.219 1.00 0.00 N ATOM 397 CA ASP A 559 35.179 -8.495 23.120 1.00 0.00 C ATOM 398 C ASP A 559 34.449 -7.784 21.963 1.00 0.00 C ATOM 399 O ASP A 559 34.405 -6.555 21.935 1.00 0.00 O ATOM 400 CB ASP A 559 36.704 -8.321 22.980 1.00 0.00 C ATOM 401 CG ASP A 559 37.549 -8.893 24.144 1.00 0.00 C ATOM 402 OD1 ASP A 559 38.762 -9.140 23.931 1.00 0.00 O ATOM 403 OD2 ASP A 559 37.041 -9.068 25.275 1.00 0.00 O ATOM 0 H ASP A 559 35.565 -10.519 22.775 1.00 0.00 H new ATOM 0 HA ASP A 559 34.825 -8.022 24.036 1.00 0.00 H new ATOM 0 HB2 ASP A 559 37.023 -8.798 22.054 1.00 0.00 H new ATOM 0 HB3 ASP A 559 36.924 -7.258 22.883 1.00 0.00 H new ATOM 408 N MET A 560 33.861 -8.543 21.019 1.00 0.00 N ATOM 409 CA MET A 560 33.112 -8.056 19.846 1.00 0.00 C ATOM 410 C MET A 560 33.901 -7.107 18.916 1.00 0.00 C ATOM 411 O MET A 560 33.301 -6.288 18.223 1.00 0.00 O ATOM 412 CB MET A 560 31.752 -7.451 20.262 1.00 0.00 C ATOM 413 CG MET A 560 30.917 -8.375 21.152 1.00 0.00 C ATOM 414 SD MET A 560 29.164 -7.942 21.193 1.00 0.00 S ATOM 415 CE MET A 560 28.471 -9.571 21.552 1.00 0.00 C ATOM 0 H MET A 560 33.897 -9.562 21.056 1.00 0.00 H new ATOM 0 HA MET A 560 32.930 -8.942 19.238 1.00 0.00 H new ATOM 0 HB2 MET A 560 31.927 -6.513 20.789 1.00 0.00 H new ATOM 0 HB3 MET A 560 31.181 -7.211 19.365 1.00 0.00 H new ATOM 0 HG2 MET A 560 31.022 -9.400 20.798 1.00 0.00 H new ATOM 0 HG3 MET A 560 31.314 -8.346 22.167 1.00 0.00 H new ATOM 0 HE1 MET A 560 27.504 -9.455 22.041 1.00 0.00 H new ATOM 0 HE2 MET A 560 28.343 -10.125 20.622 1.00 0.00 H new ATOM 0 HE3 MET A 560 29.147 -10.117 22.210 1.00 0.00 H new ATOM 425 N ALA A 561 35.234 -7.194 18.891 1.00 0.00 N ATOM 426 CA ALA A 561 36.110 -6.248 18.193 1.00 0.00 C ATOM 427 C ALA A 561 37.170 -6.938 17.307 1.00 0.00 C ATOM 428 O ALA A 561 37.723 -7.981 17.665 1.00 0.00 O ATOM 429 CB ALA A 561 36.741 -5.299 19.226 1.00 0.00 C ATOM 0 H ALA A 561 35.745 -7.939 19.365 1.00 0.00 H new ATOM 0 HA ALA A 561 35.503 -5.671 17.495 1.00 0.00 H new ATOM 0 HB1 ALA A 561 37.395 -4.591 18.717 1.00 0.00 H new ATOM 0 HB2 ALA A 561 35.954 -4.755 19.749 1.00 0.00 H new ATOM 0 HB3 ALA A 561 37.322 -5.877 19.945 1.00 0.00 H new ATOM 435 N PHE A 562 37.484 -6.315 16.169 1.00 0.00 N ATOM 436 CA PHE A 562 38.560 -6.703 15.240 1.00 0.00 C ATOM 437 C PHE A 562 39.041 -5.459 14.450 1.00 0.00 C ATOM 438 O PHE A 562 38.537 -4.360 14.680 1.00 0.00 O ATOM 439 CB PHE A 562 38.072 -7.845 14.316 1.00 0.00 C ATOM 440 CG PHE A 562 39.192 -8.780 13.876 1.00 0.00 C ATOM 441 CD1 PHE A 562 39.877 -8.577 12.664 1.00 0.00 C ATOM 442 CD2 PHE A 562 39.569 -9.851 14.711 1.00 0.00 C ATOM 443 CE1 PHE A 562 40.926 -9.437 12.286 1.00 0.00 C ATOM 444 CE2 PHE A 562 40.612 -10.711 14.335 1.00 0.00 C ATOM 445 CZ PHE A 562 41.295 -10.501 13.127 1.00 0.00 C ATOM 0 H PHE A 562 36.976 -5.490 15.851 1.00 0.00 H new ATOM 0 HA PHE A 562 39.417 -7.085 15.795 1.00 0.00 H new ATOM 0 HB2 PHE A 562 37.308 -8.423 14.836 1.00 0.00 H new ATOM 0 HB3 PHE A 562 37.600 -7.413 13.434 1.00 0.00 H new ATOM 0 HD1 PHE A 562 39.597 -7.757 12.020 1.00 0.00 H new ATOM 0 HD2 PHE A 562 39.052 -10.011 15.646 1.00 0.00 H new ATOM 0 HE1 PHE A 562 41.446 -9.279 11.352 1.00 0.00 H new ATOM 0 HE2 PHE A 562 40.889 -11.535 14.976 1.00 0.00 H new ATOM 0 HZ PHE A 562 42.105 -11.157 12.844 1.00 0.00 H new ATOM 455 N LYS A 563 39.999 -5.595 13.523 1.00 0.00 N ATOM 456 CA LYS A 563 40.566 -4.491 12.721 1.00 0.00 C ATOM 457 C LYS A 563 40.745 -4.866 11.242 1.00 0.00 C ATOM 458 O LYS A 563 41.275 -5.930 10.931 1.00 0.00 O ATOM 459 CB LYS A 563 41.873 -4.037 13.404 1.00 0.00 C ATOM 460 CG LYS A 563 42.700 -2.964 12.667 1.00 0.00 C ATOM 461 CD LYS A 563 43.833 -3.513 11.773 1.00 0.00 C ATOM 462 CE LYS A 563 44.922 -4.308 12.515 1.00 0.00 C ATOM 463 NZ LYS A 563 45.676 -3.476 13.489 1.00 0.00 N ATOM 0 H LYS A 563 40.416 -6.499 13.301 1.00 0.00 H new ATOM 0 HA LYS A 563 39.869 -3.653 12.694 1.00 0.00 H new ATOM 0 HB2 LYS A 563 41.625 -3.655 14.394 1.00 0.00 H new ATOM 0 HB3 LYS A 563 42.504 -4.914 13.549 1.00 0.00 H new ATOM 0 HG2 LYS A 563 42.027 -2.369 12.050 1.00 0.00 H new ATOM 0 HG3 LYS A 563 43.135 -2.291 13.406 1.00 0.00 H new ATOM 0 HD2 LYS A 563 43.394 -4.154 11.009 1.00 0.00 H new ATOM 0 HD3 LYS A 563 44.304 -2.677 11.255 1.00 0.00 H new ATOM 0 HE2 LYS A 563 44.461 -5.146 13.039 1.00 0.00 H new ATOM 0 HE3 LYS A 563 45.617 -4.729 11.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 46.396 -4.060 13.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 46.140 -2.691 12.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 45.020 -3.094 14.200 1.00 0.00 H new ATOM 477 N CYS A 564 40.329 -3.968 10.346 1.00 0.00 N ATOM 478 CA CYS A 564 40.499 -4.038 8.896 1.00 0.00 C ATOM 479 C CYS A 564 41.980 -3.853 8.503 1.00 0.00 C ATOM 480 O CYS A 564 42.497 -2.755 8.735 1.00 0.00 O ATOM 481 CB CYS A 564 39.683 -2.897 8.267 1.00 0.00 C ATOM 482 SG CYS A 564 39.601 -3.080 6.445 1.00 0.00 S ATOM 0 H CYS A 564 39.835 -3.123 10.632 1.00 0.00 H new ATOM 0 HA CYS A 564 40.164 -5.014 8.544 1.00 0.00 H new ATOM 0 HB2 CYS A 564 38.675 -2.893 8.682 1.00 0.00 H new ATOM 0 HB3 CYS A 564 40.135 -1.938 8.520 1.00 0.00 H new ATOM 487 N PRO A 565 42.655 -4.842 7.883 1.00 0.00 N ATOM 488 CA PRO A 565 44.034 -4.692 7.405 1.00 0.00 C ATOM 489 C PRO A 565 44.213 -3.663 6.271 1.00 0.00 C ATOM 490 O PRO A 565 45.305 -3.112 6.113 1.00 0.00 O ATOM 491 CB PRO A 565 44.448 -6.093 6.928 1.00 0.00 C ATOM 492 CG PRO A 565 43.510 -7.036 7.679 1.00 0.00 C ATOM 493 CD PRO A 565 42.226 -6.226 7.755 1.00 0.00 C ATOM 0 HA PRO A 565 44.655 -4.304 8.212 1.00 0.00 H new ATOM 0 HB2 PRO A 565 44.336 -6.196 5.849 1.00 0.00 H new ATOM 0 HB3 PRO A 565 45.492 -6.301 7.161 1.00 0.00 H new ATOM 0 HG2 PRO A 565 43.367 -7.976 7.146 1.00 0.00 H new ATOM 0 HG3 PRO A 565 43.892 -7.286 8.669 1.00 0.00 H new ATOM 0 HD2 PRO A 565 41.617 -6.369 6.862 1.00 0.00 H new ATOM 0 HD3 PRO A 565 41.618 -6.530 8.607 1.00 0.00 H new ATOM 501 N ILE A 566 43.170 -3.413 5.467 1.00 0.00 N ATOM 502 CA ILE A 566 43.226 -2.567 4.261 1.00 0.00 C ATOM 503 C ILE A 566 43.372 -1.082 4.624 1.00 0.00 C ATOM 504 O ILE A 566 44.342 -0.441 4.211 1.00 0.00 O ATOM 505 CB ILE A 566 41.994 -2.821 3.352 1.00 0.00 C ATOM 506 CG1 ILE A 566 42.076 -4.241 2.742 1.00 0.00 C ATOM 507 CG2 ILE A 566 41.897 -1.769 2.231 1.00 0.00 C ATOM 508 CD1 ILE A 566 40.764 -4.753 2.132 1.00 0.00 C ATOM 0 H ILE A 566 42.242 -3.801 5.639 1.00 0.00 H new ATOM 0 HA ILE A 566 44.115 -2.844 3.695 1.00 0.00 H new ATOM 0 HB ILE A 566 41.097 -2.740 3.966 1.00 0.00 H new ATOM 0 HG12 ILE A 566 42.846 -4.247 1.971 1.00 0.00 H new ATOM 0 HG13 ILE A 566 42.396 -4.937 3.517 1.00 0.00 H new ATOM 0 HG21 ILE A 566 41.024 -1.976 1.613 1.00 0.00 H new ATOM 0 HG22 ILE A 566 41.803 -0.776 2.671 1.00 0.00 H new ATOM 0 HG23 ILE A 566 42.795 -1.810 1.615 1.00 0.00 H new ATOM 0 HD11 ILE A 566 40.916 -5.754 1.729 1.00 0.00 H new ATOM 0 HD12 ILE A 566 39.993 -4.785 2.902 1.00 0.00 H new ATOM 0 HD13 ILE A 566 40.450 -4.084 1.331 1.00 0.00 H new ATOM 520 N CYS A 567 42.429 -0.542 5.412 1.00 0.00 N ATOM 521 CA CYS A 567 42.434 0.853 5.859 1.00 0.00 C ATOM 522 C CYS A 567 42.996 1.044 7.290 1.00 0.00 C ATOM 523 O CYS A 567 43.121 2.181 7.761 1.00 0.00 O ATOM 524 CB CYS A 567 41.036 1.461 5.638 1.00 0.00 C ATOM 525 SG CYS A 567 39.813 0.823 6.819 1.00 0.00 S ATOM 0 H CYS A 567 41.631 -1.074 5.760 1.00 0.00 H new ATOM 0 HA CYS A 567 43.141 1.413 5.247 1.00 0.00 H new ATOM 0 HB2 CYS A 567 41.095 2.546 5.730 1.00 0.00 H new ATOM 0 HB3 CYS A 567 40.704 1.245 4.622 1.00 0.00 H new ATOM 530 N LYS A 568 43.365 -0.064 7.948 1.00 0.00 N ATOM 531 CA LYS A 568 43.880 -0.137 9.325 1.00 0.00 C ATOM 532 C LYS A 568 42.881 0.398 10.363 1.00 0.00 C ATOM 533 O LYS A 568 43.256 1.182 11.238 1.00 0.00 O ATOM 534 CB LYS A 568 45.302 0.458 9.422 1.00 0.00 C ATOM 535 CG LYS A 568 46.304 -0.258 8.497 1.00 0.00 C ATOM 536 CD LYS A 568 47.726 0.293 8.688 1.00 0.00 C ATOM 537 CE LYS A 568 48.701 -0.437 7.757 1.00 0.00 C ATOM 538 NZ LYS A 568 50.086 0.077 7.902 1.00 0.00 N ATOM 0 H LYS A 568 43.310 -0.984 7.511 1.00 0.00 H new ATOM 0 HA LYS A 568 43.986 -1.189 9.590 1.00 0.00 H new ATOM 0 HB2 LYS A 568 45.268 1.517 9.165 1.00 0.00 H new ATOM 0 HB3 LYS A 568 45.651 0.391 10.452 1.00 0.00 H new ATOM 0 HG2 LYS A 568 46.295 -1.328 8.705 1.00 0.00 H new ATOM 0 HG3 LYS A 568 45.999 -0.132 7.458 1.00 0.00 H new ATOM 0 HD2 LYS A 568 47.742 1.362 8.478 1.00 0.00 H new ATOM 0 HD3 LYS A 568 48.037 0.167 9.725 1.00 0.00 H new ATOM 0 HE2 LYS A 568 48.684 -1.505 7.977 1.00 0.00 H new ATOM 0 HE3 LYS A 568 48.375 -0.319 6.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 50.717 -0.440 7.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 50.107 1.090 7.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 50.406 -0.059 8.882 1.00 0.00 H new ATOM 552 N GLU A 569 41.608 -0.015 10.271 1.00 0.00 N ATOM 553 CA GLU A 569 40.541 0.535 11.141 1.00 0.00 C ATOM 554 C GLU A 569 39.729 -0.502 11.924 1.00 0.00 C ATOM 555 O GLU A 569 39.353 -1.550 11.401 1.00 0.00 O ATOM 556 CB GLU A 569 39.566 1.397 10.329 1.00 0.00 C ATOM 557 CG GLU A 569 40.122 2.755 9.878 1.00 0.00 C ATOM 558 CD GLU A 569 40.539 3.708 11.020 1.00 0.00 C ATOM 559 OE1 GLU A 569 39.998 3.608 12.149 1.00 0.00 O ATOM 560 OE2 GLU A 569 41.398 4.594 10.781 1.00 0.00 O ATOM 0 H GLU A 569 41.287 -0.723 9.610 1.00 0.00 H new ATOM 0 HA GLU A 569 41.084 1.127 11.878 1.00 0.00 H new ATOM 0 HB2 GLU A 569 39.257 0.837 9.447 1.00 0.00 H new ATOM 0 HB3 GLU A 569 38.671 1.568 10.927 1.00 0.00 H new ATOM 0 HG2 GLU A 569 40.987 2.581 9.238 1.00 0.00 H new ATOM 0 HG3 GLU A 569 39.369 3.253 9.268 1.00 0.00 H new ATOM 567 N THR A 570 39.431 -0.193 13.187 1.00 0.00 N ATOM 568 CA THR A 570 38.676 -1.063 14.110 1.00 0.00 C ATOM 569 C THR A 570 37.197 -1.202 13.732 1.00 0.00 C ATOM 570 O THR A 570 36.527 -0.217 13.407 1.00 0.00 O ATOM 571 CB THR A 570 38.789 -0.540 15.556 1.00 0.00 C ATOM 572 OG1 THR A 570 40.145 -0.316 15.903 1.00 0.00 O ATOM 573 CG2 THR A 570 38.198 -1.475 16.611 1.00 0.00 C ATOM 0 H THR A 570 39.712 0.690 13.614 1.00 0.00 H new ATOM 0 HA THR A 570 39.125 -2.053 14.032 1.00 0.00 H new ATOM 0 HB THR A 570 38.210 0.384 15.559 1.00 0.00 H new ATOM 0 HG1 THR A 570 40.196 0.017 16.823 1.00 0.00 H new ATOM 0 HG21 THR A 570 38.319 -1.031 17.599 1.00 0.00 H new ATOM 0 HG22 THR A 570 37.138 -1.627 16.409 1.00 0.00 H new ATOM 0 HG23 THR A 570 38.715 -2.434 16.578 1.00 0.00 H new ATOM 581 N VAL A 571 36.660 -2.421 13.836 1.00 0.00 N ATOM 582 CA VAL A 571 35.226 -2.759 13.775 1.00 0.00 C ATOM 583 C VAL A 571 34.753 -3.261 15.134 1.00 0.00 C ATOM 584 O VAL A 571 35.458 -4.032 15.789 1.00 0.00 O ATOM 585 CB VAL A 571 34.888 -3.814 12.703 1.00 0.00 C ATOM 586 CG1 VAL A 571 34.721 -3.167 11.333 1.00 0.00 C ATOM 587 CG2 VAL A 571 35.892 -4.969 12.623 1.00 0.00 C ATOM 0 H VAL A 571 37.242 -3.247 13.973 1.00 0.00 H new ATOM 0 HA VAL A 571 34.708 -1.841 13.497 1.00 0.00 H new ATOM 0 HB VAL A 571 33.942 -4.253 13.019 1.00 0.00 H new ATOM 0 HG11 VAL A 571 34.483 -3.933 10.595 1.00 0.00 H new ATOM 0 HG12 VAL A 571 33.913 -2.437 11.372 1.00 0.00 H new ATOM 0 HG13 VAL A 571 35.648 -2.667 11.051 1.00 0.00 H new ATOM 0 HG21 VAL A 571 35.582 -5.667 11.845 1.00 0.00 H new ATOM 0 HG22 VAL A 571 36.881 -4.576 12.385 1.00 0.00 H new ATOM 0 HG23 VAL A 571 35.928 -5.487 13.582 1.00 0.00 H new ATOM 597 N THR A 572 33.547 -2.860 15.543 1.00 0.00 N ATOM 598 CA THR A 572 32.898 -3.258 16.805 1.00 0.00 C ATOM 599 C THR A 572 31.469 -3.738 16.557 1.00 0.00 C ATOM 600 O THR A 572 30.773 -3.223 15.677 1.00 0.00 O ATOM 601 CB THR A 572 32.911 -2.121 17.840 1.00 0.00 C ATOM 602 OG1 THR A 572 32.332 -0.935 17.329 1.00 0.00 O ATOM 603 CG2 THR A 572 34.329 -1.775 18.297 1.00 0.00 C ATOM 0 H THR A 572 32.971 -2.227 14.988 1.00 0.00 H new ATOM 0 HA THR A 572 33.477 -4.085 17.216 1.00 0.00 H new ATOM 0 HB THR A 572 32.327 -2.493 18.682 1.00 0.00 H new ATOM 0 HG1 THR A 572 32.357 -0.236 18.016 1.00 0.00 H new ATOM 0 HG21 THR A 572 34.289 -0.967 19.028 1.00 0.00 H new ATOM 0 HG22 THR A 572 34.789 -2.652 18.751 1.00 0.00 H new ATOM 0 HG23 THR A 572 34.921 -1.459 17.438 1.00 0.00 H new ATOM 611 N GLY A 573 31.033 -4.743 17.318 1.00 0.00 N ATOM 612 CA GLY A 573 29.701 -5.334 17.199 1.00 0.00 C ATOM 613 C GLY A 573 28.561 -4.386 17.577 1.00 0.00 C ATOM 614 O GLY A 573 28.687 -3.590 18.508 1.00 0.00 O ATOM 0 H GLY A 573 31.604 -5.175 18.044 1.00 0.00 H new ATOM 0 HA2 GLY A 573 29.555 -5.670 16.172 1.00 0.00 H new ATOM 0 HA3 GLY A 573 29.650 -6.218 17.834 1.00 0.00 H new ATOM 618 N VAL A 574 27.433 -4.494 16.871 1.00 0.00 N ATOM 619 CA VAL A 574 26.182 -3.760 17.132 1.00 0.00 C ATOM 620 C VAL A 574 24.977 -4.701 17.204 1.00 0.00 C ATOM 621 O VAL A 574 24.987 -5.744 16.566 1.00 0.00 O ATOM 622 CB VAL A 574 25.941 -2.637 16.097 1.00 0.00 C ATOM 623 CG1 VAL A 574 27.115 -1.653 16.027 1.00 0.00 C ATOM 624 CG2 VAL A 574 25.627 -3.119 14.681 1.00 0.00 C ATOM 0 H VAL A 574 27.358 -5.119 16.068 1.00 0.00 H new ATOM 0 HA VAL A 574 26.297 -3.288 18.108 1.00 0.00 H new ATOM 0 HB VAL A 574 25.048 -2.138 16.474 1.00 0.00 H new ATOM 0 HG11 VAL A 574 26.900 -0.882 15.287 1.00 0.00 H new ATOM 0 HG12 VAL A 574 27.259 -1.189 17.003 1.00 0.00 H new ATOM 0 HG13 VAL A 574 28.021 -2.187 15.742 1.00 0.00 H new ATOM 0 HG21 VAL A 574 25.474 -2.259 14.029 1.00 0.00 H new ATOM 0 HG22 VAL A 574 26.460 -3.715 14.306 1.00 0.00 H new ATOM 0 HG23 VAL A 574 24.723 -3.728 14.696 1.00 0.00 H new ATOM 634 N TYR A 575 23.950 -4.381 17.994 1.00 0.00 N ATOM 635 CA TYR A 575 22.795 -5.267 18.189 1.00 0.00 C ATOM 636 C TYR A 575 21.847 -5.301 16.973 1.00 0.00 C ATOM 637 O TYR A 575 21.555 -4.271 16.366 1.00 0.00 O ATOM 638 CB TYR A 575 22.051 -4.891 19.475 1.00 0.00 C ATOM 639 CG TYR A 575 20.898 -5.813 19.821 1.00 0.00 C ATOM 640 CD1 TYR A 575 19.570 -5.340 19.798 1.00 0.00 C ATOM 641 CD2 TYR A 575 21.160 -7.147 20.185 1.00 0.00 C ATOM 642 CE1 TYR A 575 18.514 -6.194 20.170 1.00 0.00 C ATOM 643 CE2 TYR A 575 20.100 -8.008 20.545 1.00 0.00 C ATOM 644 CZ TYR A 575 18.771 -7.532 20.544 1.00 0.00 C ATOM 645 OH TYR A 575 17.755 -8.360 20.922 1.00 0.00 O ATOM 0 H TYR A 575 23.893 -3.506 18.515 1.00 0.00 H new ATOM 0 HA TYR A 575 23.180 -6.282 18.290 1.00 0.00 H new ATOM 0 HB2 TYR A 575 22.760 -4.888 20.303 1.00 0.00 H new ATOM 0 HB3 TYR A 575 21.671 -3.874 19.377 1.00 0.00 H new ATOM 0 HD1 TYR A 575 19.363 -4.324 19.495 1.00 0.00 H new ATOM 0 HD2 TYR A 575 22.176 -7.514 20.189 1.00 0.00 H new ATOM 0 HE1 TYR A 575 17.500 -5.823 20.169 1.00 0.00 H new ATOM 0 HE2 TYR A 575 20.306 -9.031 20.821 1.00 0.00 H new ATOM 0 HH TYR A 575 18.118 -9.243 21.144 1.00 0.00 H new ATOM 655 N ASP A 576 21.326 -6.491 16.647 1.00 0.00 N ATOM 656 CA ASP A 576 20.275 -6.747 15.661 1.00 0.00 C ATOM 657 C ASP A 576 19.021 -7.312 16.336 1.00 0.00 C ATOM 658 O ASP A 576 19.040 -8.408 16.906 1.00 0.00 O ATOM 659 CB ASP A 576 20.771 -7.750 14.605 1.00 0.00 C ATOM 660 CG ASP A 576 19.707 -8.061 13.539 1.00 0.00 C ATOM 661 OD1 ASP A 576 18.932 -7.151 13.154 1.00 0.00 O ATOM 662 OD2 ASP A 576 19.617 -9.232 13.107 1.00 0.00 O ATOM 0 H ASP A 576 21.648 -7.350 17.093 1.00 0.00 H new ATOM 0 HA ASP A 576 20.026 -5.800 15.182 1.00 0.00 H new ATOM 0 HB2 ASP A 576 21.661 -7.350 14.119 1.00 0.00 H new ATOM 0 HB3 ASP A 576 21.067 -8.676 15.099 1.00 0.00 H new ATOM 667 N GLU A 577 17.913 -6.578 16.223 1.00 0.00 N ATOM 668 CA GLU A 577 16.633 -6.921 16.843 1.00 0.00 C ATOM 669 C GLU A 577 15.902 -8.085 16.137 1.00 0.00 C ATOM 670 O GLU A 577 15.112 -8.788 16.764 1.00 0.00 O ATOM 671 CB GLU A 577 15.714 -5.686 16.893 1.00 0.00 C ATOM 672 CG GLU A 577 16.388 -4.398 17.413 1.00 0.00 C ATOM 673 CD GLU A 577 17.109 -3.533 16.347 1.00 0.00 C ATOM 674 OE1 GLU A 577 17.644 -2.461 16.722 1.00 0.00 O ATOM 675 OE2 GLU A 577 17.164 -3.897 15.146 1.00 0.00 O ATOM 0 H GLU A 577 17.880 -5.711 15.687 1.00 0.00 H new ATOM 0 HA GLU A 577 16.865 -7.258 17.853 1.00 0.00 H new ATOM 0 HB2 GLU A 577 15.327 -5.498 15.892 1.00 0.00 H new ATOM 0 HB3 GLU A 577 14.858 -5.913 17.528 1.00 0.00 H new ATOM 0 HG2 GLU A 577 15.629 -3.784 17.898 1.00 0.00 H new ATOM 0 HG3 GLU A 577 17.112 -4.674 18.179 1.00 0.00 H new ATOM 682 N GLU A 578 16.154 -8.301 14.842 1.00 0.00 N ATOM 683 CA GLU A 578 15.530 -9.355 14.043 1.00 0.00 C ATOM 684 C GLU A 578 16.098 -10.746 14.371 1.00 0.00 C ATOM 685 O GLU A 578 15.335 -11.680 14.636 1.00 0.00 O ATOM 686 CB GLU A 578 15.669 -9.032 12.544 1.00 0.00 C ATOM 687 CG GLU A 578 14.971 -10.019 11.591 1.00 0.00 C ATOM 688 CD GLU A 578 13.449 -10.147 11.808 1.00 0.00 C ATOM 689 OE1 GLU A 578 12.908 -11.258 11.614 1.00 0.00 O ATOM 690 OE2 GLU A 578 12.769 -9.139 12.122 1.00 0.00 O ATOM 0 H GLU A 578 16.813 -7.733 14.310 1.00 0.00 H new ATOM 0 HA GLU A 578 14.471 -9.386 14.299 1.00 0.00 H new ATOM 0 HB2 GLU A 578 15.267 -8.035 12.365 1.00 0.00 H new ATOM 0 HB3 GLU A 578 16.729 -8.998 12.293 1.00 0.00 H new ATOM 0 HG2 GLU A 578 15.154 -9.704 10.564 1.00 0.00 H new ATOM 0 HG3 GLU A 578 15.426 -11.002 11.709 1.00 0.00 H new ATOM 697 N SER A 579 17.433 -10.894 14.400 1.00 0.00 N ATOM 698 CA SER A 579 18.091 -12.134 14.855 1.00 0.00 C ATOM 699 C SER A 579 18.090 -12.255 16.384 1.00 0.00 C ATOM 700 O SER A 579 18.052 -13.371 16.915 1.00 0.00 O ATOM 701 CB SER A 579 19.551 -12.202 14.384 1.00 0.00 C ATOM 702 OG SER A 579 19.649 -12.043 12.980 1.00 0.00 O ATOM 0 H SER A 579 18.084 -10.164 14.111 1.00 0.00 H new ATOM 0 HA SER A 579 17.516 -12.951 14.420 1.00 0.00 H new ATOM 0 HB2 SER A 579 20.132 -11.425 14.881 1.00 0.00 H new ATOM 0 HB3 SER A 579 19.984 -13.159 14.674 1.00 0.00 H new ATOM 0 HG SER A 579 19.639 -11.089 12.757 1.00 0.00 H new ATOM 708 N GLY A 580 18.151 -11.121 17.098 1.00 0.00 N ATOM 709 CA GLY A 580 18.368 -11.088 18.548 1.00 0.00 C ATOM 710 C GLY A 580 19.835 -11.354 18.913 1.00 0.00 C ATOM 711 O GLY A 580 20.129 -11.946 19.950 1.00 0.00 O ATOM 0 H GLY A 580 18.050 -10.196 16.680 1.00 0.00 H new ATOM 0 HA2 GLY A 580 18.067 -10.116 18.938 1.00 0.00 H new ATOM 0 HA3 GLY A 580 17.734 -11.834 19.027 1.00 0.00 H new ATOM 715 N GLU A 581 20.757 -10.961 18.027 1.00 0.00 N ATOM 716 CA GLU A 581 22.198 -11.216 18.105 1.00 0.00 C ATOM 717 C GLU A 581 23.001 -9.926 17.875 1.00 0.00 C ATOM 718 O GLU A 581 22.434 -8.880 17.560 1.00 0.00 O ATOM 719 CB GLU A 581 22.601 -12.297 17.080 1.00 0.00 C ATOM 720 CG GLU A 581 21.942 -13.677 17.268 1.00 0.00 C ATOM 721 CD GLU A 581 22.240 -14.372 18.614 1.00 0.00 C ATOM 722 OE1 GLU A 581 21.435 -15.246 19.026 1.00 0.00 O ATOM 723 OE2 GLU A 581 23.287 -14.099 19.250 1.00 0.00 O ATOM 0 H GLU A 581 20.504 -10.429 17.194 1.00 0.00 H new ATOM 0 HA GLU A 581 22.429 -11.578 19.107 1.00 0.00 H new ATOM 0 HB2 GLU A 581 22.359 -11.933 16.082 1.00 0.00 H new ATOM 0 HB3 GLU A 581 23.683 -12.423 17.120 1.00 0.00 H new ATOM 0 HG2 GLU A 581 20.863 -13.563 17.168 1.00 0.00 H new ATOM 0 HG3 GLU A 581 22.269 -14.331 16.460 1.00 0.00 H new ATOM 730 N TRP A 582 24.324 -9.984 17.998 1.00 0.00 N ATOM 731 CA TRP A 582 25.231 -8.879 17.651 1.00 0.00 C ATOM 732 C TRP A 582 25.871 -9.103 16.269 1.00 0.00 C ATOM 733 O TRP A 582 26.062 -10.240 15.848 1.00 0.00 O ATOM 734 CB TRP A 582 26.225 -8.667 18.803 1.00 0.00 C ATOM 735 CG TRP A 582 25.587 -8.186 20.076 1.00 0.00 C ATOM 736 CD1 TRP A 582 24.854 -8.948 20.924 1.00 0.00 C ATOM 737 CD2 TRP A 582 25.556 -6.839 20.639 1.00 0.00 C ATOM 738 NE1 TRP A 582 24.364 -8.169 21.952 1.00 0.00 N ATOM 739 CE2 TRP A 582 24.765 -6.855 21.823 1.00 0.00 C ATOM 740 CE3 TRP A 582 26.137 -5.602 20.283 1.00 0.00 C ATOM 741 CZ2 TRP A 582 24.524 -5.706 22.592 1.00 0.00 C ATOM 742 CZ3 TRP A 582 25.906 -4.432 21.036 1.00 0.00 C ATOM 743 CH2 TRP A 582 25.093 -4.486 22.194 1.00 0.00 C ATOM 0 H TRP A 582 24.810 -10.810 18.347 1.00 0.00 H new ATOM 0 HA TRP A 582 24.681 -7.944 17.543 1.00 0.00 H new ATOM 0 HB2 TRP A 582 26.744 -9.605 19.000 1.00 0.00 H new ATOM 0 HB3 TRP A 582 26.980 -7.945 18.491 1.00 0.00 H new ATOM 0 HD1 TRP A 582 24.679 -10.008 20.812 1.00 0.00 H new ATOM 0 HE1 TRP A 582 23.780 -8.520 22.711 1.00 0.00 H new ATOM 0 HE3 TRP A 582 26.774 -5.551 19.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 582 23.909 -5.760 23.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 582 26.349 -3.496 20.730 1.00 0.00 H new ATOM 0 HH2 TRP A 582 24.911 -3.591 22.770 1.00 0.00 H new ATOM 754 N VAL A 583 26.190 -8.029 15.547 1.00 0.00 N ATOM 755 CA VAL A 583 26.659 -8.034 14.148 1.00 0.00 C ATOM 756 C VAL A 583 27.764 -7.003 13.886 1.00 0.00 C ATOM 757 O VAL A 583 27.779 -5.919 14.462 1.00 0.00 O ATOM 758 CB VAL A 583 25.502 -7.818 13.140 1.00 0.00 C ATOM 759 CG1 VAL A 583 24.572 -9.032 13.036 1.00 0.00 C ATOM 760 CG2 VAL A 583 24.640 -6.582 13.395 1.00 0.00 C ATOM 0 H VAL A 583 26.128 -7.086 15.932 1.00 0.00 H new ATOM 0 HA VAL A 583 27.079 -9.028 13.993 1.00 0.00 H new ATOM 0 HB VAL A 583 26.033 -7.664 12.201 1.00 0.00 H new ATOM 0 HG11 VAL A 583 23.781 -8.824 12.316 1.00 0.00 H new ATOM 0 HG12 VAL A 583 25.143 -9.900 12.707 1.00 0.00 H new ATOM 0 HG13 VAL A 583 24.130 -9.237 14.011 1.00 0.00 H new ATOM 0 HG21 VAL A 583 23.860 -6.520 12.637 1.00 0.00 H new ATOM 0 HG22 VAL A 583 24.182 -6.655 14.382 1.00 0.00 H new ATOM 0 HG23 VAL A 583 25.263 -5.688 13.349 1.00 0.00 H new ATOM 770 N TRP A 584 28.679 -7.336 12.980 1.00 0.00 N ATOM 771 CA TRP A 584 29.684 -6.439 12.404 1.00 0.00 C ATOM 772 C TRP A 584 29.155 -5.945 11.052 1.00 0.00 C ATOM 773 O TRP A 584 29.077 -6.713 10.090 1.00 0.00 O ATOM 774 CB TRP A 584 31.006 -7.212 12.246 1.00 0.00 C ATOM 775 CG TRP A 584 31.901 -7.341 13.443 1.00 0.00 C ATOM 776 CD1 TRP A 584 32.297 -6.332 14.250 1.00 0.00 C ATOM 777 CD2 TRP A 584 32.583 -8.530 13.943 1.00 0.00 C ATOM 778 NE1 TRP A 584 33.147 -6.811 15.232 1.00 0.00 N ATOM 779 CE2 TRP A 584 33.363 -8.165 15.084 1.00 0.00 C ATOM 780 CE3 TRP A 584 32.588 -9.898 13.576 1.00 0.00 C ATOM 781 CZ2 TRP A 584 34.108 -9.100 15.813 1.00 0.00 C ATOM 782 CZ3 TRP A 584 33.328 -10.846 14.307 1.00 0.00 C ATOM 783 CH2 TRP A 584 34.086 -10.452 15.420 1.00 0.00 C ATOM 0 H TRP A 584 28.745 -8.283 12.608 1.00 0.00 H new ATOM 0 HA TRP A 584 29.871 -5.578 13.046 1.00 0.00 H new ATOM 0 HB2 TRP A 584 30.764 -8.217 11.902 1.00 0.00 H new ATOM 0 HB3 TRP A 584 31.579 -6.732 11.452 1.00 0.00 H new ATOM 0 HD1 TRP A 584 31.994 -5.301 14.144 1.00 0.00 H new ATOM 0 HE1 TRP A 584 33.559 -6.238 15.968 1.00 0.00 H new ATOM 0 HE3 TRP A 584 32.014 -10.219 12.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 584 34.692 -8.788 16.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 584 33.312 -11.884 14.009 1.00 0.00 H new ATOM 0 HH2 TRP A 584 34.652 -11.185 15.975 1.00 0.00 H new ATOM 794 N LYS A 585 28.734 -4.674 10.995 1.00 0.00 N ATOM 795 CA LYS A 585 28.185 -4.037 9.782 1.00 0.00 C ATOM 796 C LYS A 585 29.286 -3.544 8.835 1.00 0.00 C ATOM 797 O LYS A 585 30.396 -3.256 9.284 1.00 0.00 O ATOM 798 CB LYS A 585 27.222 -2.898 10.173 1.00 0.00 C ATOM 799 CG LYS A 585 25.984 -3.414 10.928 1.00 0.00 C ATOM 800 CD LYS A 585 24.811 -2.426 10.923 1.00 0.00 C ATOM 801 CE LYS A 585 25.195 -1.008 11.396 1.00 0.00 C ATOM 802 NZ LYS A 585 24.007 -0.114 11.452 1.00 0.00 N ATOM 0 H LYS A 585 28.764 -4.048 11.799 1.00 0.00 H new ATOM 0 HA LYS A 585 27.625 -4.793 9.231 1.00 0.00 H new ATOM 0 HB2 LYS A 585 27.750 -2.176 10.796 1.00 0.00 H new ATOM 0 HB3 LYS A 585 26.903 -2.370 9.274 1.00 0.00 H new ATOM 0 HG2 LYS A 585 25.660 -4.353 10.480 1.00 0.00 H new ATOM 0 HG3 LYS A 585 26.261 -3.632 11.959 1.00 0.00 H new ATOM 0 HD2 LYS A 585 24.402 -2.365 9.914 1.00 0.00 H new ATOM 0 HD3 LYS A 585 24.019 -2.812 11.565 1.00 0.00 H new ATOM 0 HE2 LYS A 585 25.657 -1.064 12.382 1.00 0.00 H new ATOM 0 HE3 LYS A 585 25.938 -0.586 10.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 585 24.299 0.831 11.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 585 23.582 -0.042 10.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 585 23.309 -0.505 12.116 1.00 0.00 H new ATOM 816 N ASN A 586 28.992 -3.464 7.533 1.00 0.00 N ATOM 817 CA ASN A 586 29.937 -3.120 6.461 1.00 0.00 C ATOM 818 C ASN A 586 31.188 -4.041 6.484 1.00 0.00 C ATOM 819 O ASN A 586 32.291 -3.597 6.183 1.00 0.00 O ATOM 820 CB ASN A 586 30.214 -1.593 6.543 1.00 0.00 C ATOM 821 CG ASN A 586 30.979 -0.910 5.408 1.00 0.00 C ATOM 822 OD1 ASN A 586 31.307 0.264 5.512 1.00 0.00 O ATOM 823 ND2 ASN A 586 31.262 -1.520 4.282 1.00 0.00 N ATOM 0 H ASN A 586 28.052 -3.644 7.181 1.00 0.00 H new ATOM 0 HA ASN A 586 29.515 -3.313 5.474 1.00 0.00 H new ATOM 0 HB2 ASN A 586 29.252 -1.090 6.639 1.00 0.00 H new ATOM 0 HB3 ASN A 586 30.763 -1.409 7.466 1.00 0.00 H new ATOM 0 HD21 ASN A 586 31.738 -1.015 3.534 1.00 0.00 H new ATOM 0 HD22 ASN A 586 31.006 -2.499 4.154 1.00 0.00 H new ATOM 830 N THR A 587 31.026 -5.318 6.871 1.00 0.00 N ATOM 831 CA THR A 587 32.124 -6.270 7.166 1.00 0.00 C ATOM 832 C THR A 587 31.947 -7.606 6.436 1.00 0.00 C ATOM 833 O THR A 587 30.824 -8.041 6.170 1.00 0.00 O ATOM 834 CB THR A 587 32.263 -6.500 8.688 1.00 0.00 C ATOM 835 OG1 THR A 587 32.466 -5.271 9.346 1.00 0.00 O ATOM 836 CG2 THR A 587 33.452 -7.372 9.104 1.00 0.00 C ATOM 0 H THR A 587 30.102 -5.734 6.992 1.00 0.00 H new ATOM 0 HA THR A 587 33.043 -5.816 6.795 1.00 0.00 H new ATOM 0 HB THR A 587 31.337 -7.004 8.963 1.00 0.00 H new ATOM 0 HG1 THR A 587 31.670 -4.709 9.242 1.00 0.00 H new ATOM 0 HG21 THR A 587 33.465 -7.476 10.189 1.00 0.00 H new ATOM 0 HG22 THR A 587 33.359 -8.357 8.647 1.00 0.00 H new ATOM 0 HG23 THR A 587 34.379 -6.905 8.773 1.00 0.00 H new ATOM 844 N ILE A 588 33.070 -8.262 6.132 1.00 0.00 N ATOM 845 CA ILE A 588 33.219 -9.550 5.435 1.00 0.00 C ATOM 846 C ILE A 588 34.339 -10.381 6.091 1.00 0.00 C ATOM 847 O ILE A 588 35.340 -9.839 6.561 1.00 0.00 O ATOM 848 CB ILE A 588 33.446 -9.308 3.917 1.00 0.00 C ATOM 849 CG1 ILE A 588 33.764 -10.620 3.163 1.00 0.00 C ATOM 850 CG2 ILE A 588 34.573 -8.307 3.628 1.00 0.00 C ATOM 851 CD1 ILE A 588 33.692 -10.504 1.637 1.00 0.00 C ATOM 0 H ILE A 588 33.979 -7.875 6.388 1.00 0.00 H new ATOM 0 HA ILE A 588 32.303 -10.134 5.527 1.00 0.00 H new ATOM 0 HB ILE A 588 32.505 -8.891 3.560 1.00 0.00 H new ATOM 0 HG12 ILE A 588 34.763 -10.953 3.444 1.00 0.00 H new ATOM 0 HG13 ILE A 588 33.067 -11.391 3.490 1.00 0.00 H new ATOM 0 HG21 ILE A 588 34.681 -8.182 2.551 1.00 0.00 H new ATOM 0 HG22 ILE A 588 34.332 -7.346 4.082 1.00 0.00 H new ATOM 0 HG23 ILE A 588 35.508 -8.681 4.045 1.00 0.00 H new ATOM 0 HD11 ILE A 588 33.929 -11.468 1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 588 32.687 -10.203 1.342 1.00 0.00 H new ATOM 0 HD13 ILE A 588 34.409 -9.758 1.295 1.00 0.00 H new ATOM 863 N GLU A 589 34.190 -11.704 6.108 1.00 0.00 N ATOM 864 CA GLU A 589 35.228 -12.674 6.500 1.00 0.00 C ATOM 865 C GLU A 589 35.655 -13.531 5.294 1.00 0.00 C ATOM 866 O GLU A 589 34.802 -14.058 4.574 1.00 0.00 O ATOM 867 CB GLU A 589 34.704 -13.560 7.645 1.00 0.00 C ATOM 868 CG GLU A 589 35.802 -14.475 8.222 1.00 0.00 C ATOM 869 CD GLU A 589 35.309 -15.460 9.308 1.00 0.00 C ATOM 870 OE1 GLU A 589 34.093 -15.769 9.388 1.00 0.00 O ATOM 871 OE2 GLU A 589 36.162 -15.986 10.066 1.00 0.00 O ATOM 0 H GLU A 589 33.314 -12.153 5.841 1.00 0.00 H new ATOM 0 HA GLU A 589 36.106 -12.132 6.850 1.00 0.00 H new ATOM 0 HB2 GLU A 589 34.306 -12.928 8.439 1.00 0.00 H new ATOM 0 HB3 GLU A 589 33.878 -14.171 7.281 1.00 0.00 H new ATOM 0 HG2 GLU A 589 36.248 -15.045 7.407 1.00 0.00 H new ATOM 0 HG3 GLU A 589 36.591 -13.853 8.644 1.00 0.00 H new ATOM 878 N VAL A 590 36.964 -13.693 5.082 1.00 0.00 N ATOM 879 CA VAL A 590 37.540 -14.543 4.021 1.00 0.00 C ATOM 880 C VAL A 590 38.974 -14.970 4.362 1.00 0.00 C ATOM 881 O VAL A 590 39.731 -14.205 4.956 1.00 0.00 O ATOM 882 CB VAL A 590 37.447 -13.845 2.644 1.00 0.00 C ATOM 883 CG1 VAL A 590 38.201 -12.515 2.583 1.00 0.00 C ATOM 884 CG2 VAL A 590 37.920 -14.737 1.490 1.00 0.00 C ATOM 0 H VAL A 590 37.672 -13.230 5.651 1.00 0.00 H new ATOM 0 HA VAL A 590 36.949 -15.457 3.959 1.00 0.00 H new ATOM 0 HB VAL A 590 36.383 -13.643 2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 590 38.093 -12.081 1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 590 37.791 -11.830 3.325 1.00 0.00 H new ATOM 0 HG13 VAL A 590 39.257 -12.686 2.792 1.00 0.00 H new ATOM 0 HG21 VAL A 590 37.831 -14.193 0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 590 38.961 -15.018 1.650 1.00 0.00 H new ATOM 0 HG23 VAL A 590 37.304 -15.636 1.449 1.00 0.00 H new ATOM 894 N ASN A 591 39.360 -16.200 4.004 1.00 0.00 N ATOM 895 CA ASN A 591 40.706 -16.766 4.215 1.00 0.00 C ATOM 896 C ASN A 591 41.218 -16.675 5.676 1.00 0.00 C ATOM 897 O ASN A 591 42.412 -16.501 5.936 1.00 0.00 O ATOM 898 CB ASN A 591 41.650 -16.180 3.143 1.00 0.00 C ATOM 899 CG ASN A 591 42.963 -16.937 2.987 1.00 0.00 C ATOM 900 OD1 ASN A 591 44.049 -16.396 3.156 1.00 0.00 O ATOM 901 ND2 ASN A 591 42.919 -18.201 2.624 1.00 0.00 N ATOM 0 H ASN A 591 38.726 -16.854 3.544 1.00 0.00 H new ATOM 0 HA ASN A 591 40.668 -17.847 4.077 1.00 0.00 H new ATOM 0 HB2 ASN A 591 41.132 -16.172 2.184 1.00 0.00 H new ATOM 0 HB3 ASN A 591 41.869 -15.143 3.396 1.00 0.00 H new ATOM 0 HD21 ASN A 591 43.785 -18.722 2.486 1.00 0.00 H new ATOM 0 HD22 ASN A 591 42.019 -18.660 2.481 1.00 0.00 H new ATOM 908 N GLY A 592 40.299 -16.769 6.649 1.00 0.00 N ATOM 909 CA GLY A 592 40.587 -16.653 8.087 1.00 0.00 C ATOM 910 C GLY A 592 40.835 -15.225 8.601 1.00 0.00 C ATOM 911 O GLY A 592 41.254 -15.057 9.748 1.00 0.00 O ATOM 0 H GLY A 592 39.311 -16.932 6.453 1.00 0.00 H new ATOM 0 HA2 GLY A 592 39.752 -17.080 8.642 1.00 0.00 H new ATOM 0 HA3 GLY A 592 41.464 -17.259 8.314 1.00 0.00 H new ATOM 915 N LYS A 593 40.579 -14.202 7.776 1.00 0.00 N ATOM 916 CA LYS A 593 40.754 -12.773 8.088 1.00 0.00 C ATOM 917 C LYS A 593 39.444 -11.999 7.925 1.00 0.00 C ATOM 918 O LYS A 593 38.596 -12.357 7.107 1.00 0.00 O ATOM 919 CB LYS A 593 41.834 -12.177 7.171 1.00 0.00 C ATOM 920 CG LYS A 593 43.240 -12.753 7.406 1.00 0.00 C ATOM 921 CD LYS A 593 44.254 -12.121 6.444 1.00 0.00 C ATOM 922 CE LYS A 593 45.651 -12.711 6.688 1.00 0.00 C ATOM 923 NZ LYS A 593 46.657 -12.146 5.754 1.00 0.00 N ATOM 0 H LYS A 593 40.228 -14.352 6.830 1.00 0.00 H new ATOM 0 HA LYS A 593 41.064 -12.686 9.129 1.00 0.00 H new ATOM 0 HB2 LYS A 593 41.551 -12.350 6.133 1.00 0.00 H new ATOM 0 HB3 LYS A 593 41.865 -11.097 7.318 1.00 0.00 H new ATOM 0 HG2 LYS A 593 43.546 -12.570 8.436 1.00 0.00 H new ATOM 0 HG3 LYS A 593 43.223 -13.834 7.266 1.00 0.00 H new ATOM 0 HD2 LYS A 593 43.950 -12.301 5.413 1.00 0.00 H new ATOM 0 HD3 LYS A 593 44.277 -11.041 6.586 1.00 0.00 H new ATOM 0 HE2 LYS A 593 45.956 -12.511 7.715 1.00 0.00 H new ATOM 0 HE3 LYS A 593 45.614 -13.794 6.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 47.587 -12.568 5.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 46.379 -12.358 4.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 46.710 -11.115 5.883 1.00 0.00 H new ATOM 937 N TYR A 594 39.308 -10.908 8.677 1.00 0.00 N ATOM 938 CA TYR A 594 38.226 -9.929 8.518 1.00 0.00 C ATOM 939 C TYR A 594 38.652 -8.704 7.714 1.00 0.00 C ATOM 940 O TYR A 594 39.804 -8.274 7.757 1.00 0.00 O ATOM 941 CB TYR A 594 37.695 -9.477 9.879 1.00 0.00 C ATOM 942 CG TYR A 594 36.917 -10.553 10.603 1.00 0.00 C ATOM 943 CD1 TYR A 594 35.584 -10.794 10.222 1.00 0.00 C ATOM 944 CD2 TYR A 594 37.519 -11.329 11.614 1.00 0.00 C ATOM 945 CE1 TYR A 594 34.846 -11.807 10.857 1.00 0.00 C ATOM 946 CE2 TYR A 594 36.781 -12.349 12.251 1.00 0.00 C ATOM 947 CZ TYR A 594 35.440 -12.586 11.875 1.00 0.00 C ATOM 948 OH TYR A 594 34.720 -13.576 12.474 1.00 0.00 O ATOM 0 H TYR A 594 39.957 -10.673 9.428 1.00 0.00 H new ATOM 0 HA TYR A 594 37.438 -10.437 7.963 1.00 0.00 H new ATOM 0 HB2 TYR A 594 38.532 -9.162 10.502 1.00 0.00 H new ATOM 0 HB3 TYR A 594 37.055 -8.606 9.741 1.00 0.00 H new ATOM 0 HD1 TYR A 594 35.129 -10.201 9.442 1.00 0.00 H new ATOM 0 HD2 TYR A 594 38.544 -11.143 11.901 1.00 0.00 H new ATOM 0 HE1 TYR A 594 33.822 -11.991 10.566 1.00 0.00 H new ATOM 0 HE2 TYR A 594 37.240 -12.947 13.024 1.00 0.00 H new ATOM 0 HH TYR A 594 35.273 -14.018 13.152 1.00 0.00 H new ATOM 958 N PHE A 595 37.679 -8.112 7.026 1.00 0.00 N ATOM 959 CA PHE A 595 37.824 -6.935 6.178 1.00 0.00 C ATOM 960 C PHE A 595 36.505 -6.148 6.137 1.00 0.00 C ATOM 961 O PHE A 595 35.444 -6.699 6.433 1.00 0.00 O ATOM 962 CB PHE A 595 38.200 -7.393 4.758 1.00 0.00 C ATOM 963 CG PHE A 595 39.543 -8.080 4.595 1.00 0.00 C ATOM 964 CD1 PHE A 595 39.606 -9.483 4.481 1.00 0.00 C ATOM 965 CD2 PHE A 595 40.727 -7.323 4.512 1.00 0.00 C ATOM 966 CE1 PHE A 595 40.841 -10.123 4.271 1.00 0.00 C ATOM 967 CE2 PHE A 595 41.962 -7.962 4.309 1.00 0.00 C ATOM 968 CZ PHE A 595 42.020 -9.362 4.182 1.00 0.00 C ATOM 0 H PHE A 595 36.720 -8.459 7.047 1.00 0.00 H new ATOM 0 HA PHE A 595 38.603 -6.288 6.580 1.00 0.00 H new ATOM 0 HB2 PHE A 595 37.425 -8.073 4.404 1.00 0.00 H new ATOM 0 HB3 PHE A 595 38.182 -6.521 4.104 1.00 0.00 H new ATOM 0 HD1 PHE A 595 38.702 -10.070 4.555 1.00 0.00 H new ATOM 0 HD2 PHE A 595 40.686 -6.248 4.605 1.00 0.00 H new ATOM 0 HE1 PHE A 595 40.884 -11.198 4.178 1.00 0.00 H new ATOM 0 HE2 PHE A 595 42.868 -7.377 4.250 1.00 0.00 H new ATOM 0 HZ PHE A 595 42.968 -9.851 4.016 1.00 0.00 H new ATOM 978 N HIS A 596 36.542 -4.877 5.736 1.00 0.00 N ATOM 979 CA HIS A 596 35.316 -4.141 5.399 1.00 0.00 C ATOM 980 C HIS A 596 34.821 -4.607 4.029 1.00 0.00 C ATOM 981 O HIS A 596 35.630 -4.838 3.126 1.00 0.00 O ATOM 982 CB HIS A 596 35.555 -2.637 5.340 1.00 0.00 C ATOM 983 CG HIS A 596 35.733 -1.926 6.648 1.00 0.00 C ATOM 984 ND1 HIS A 596 36.885 -1.210 6.933 1.00 0.00 N ATOM 985 CD2 HIS A 596 34.848 -1.806 7.678 1.00 0.00 C ATOM 986 CE1 HIS A 596 36.688 -0.667 8.144 1.00 0.00 C ATOM 987 NE2 HIS A 596 35.472 -1.017 8.619 1.00 0.00 N ATOM 0 H HIS A 596 37.401 -4.335 5.636 1.00 0.00 H new ATOM 0 HA HIS A 596 34.579 -4.341 6.177 1.00 0.00 H new ATOM 0 HB2 HIS A 596 36.443 -2.458 4.733 1.00 0.00 H new ATOM 0 HB3 HIS A 596 34.715 -2.180 4.817 1.00 0.00 H new ATOM 0 HD2 HIS A 596 33.861 -2.240 7.743 1.00 0.00 H new ATOM 0 HE1 HIS A 596 37.398 -0.041 8.664 1.00 0.00 H new ATOM 0 HE2 HIS A 596 35.083 -0.743 9.521 1.00 0.00 H new ATOM 995 N SER A 597 33.509 -4.728 3.846 1.00 0.00 N ATOM 996 CA SER A 597 32.902 -5.179 2.586 1.00 0.00 C ATOM 997 C SER A 597 33.230 -4.243 1.417 1.00 0.00 C ATOM 998 O SER A 597 33.611 -4.713 0.347 1.00 0.00 O ATOM 999 CB SER A 597 31.390 -5.345 2.770 1.00 0.00 C ATOM 1000 OG SER A 597 30.788 -4.159 3.270 1.00 0.00 O ATOM 0 H SER A 597 32.826 -4.515 4.573 1.00 0.00 H new ATOM 0 HA SER A 597 33.332 -6.147 2.329 1.00 0.00 H new ATOM 0 HB2 SER A 597 30.934 -5.610 1.816 1.00 0.00 H new ATOM 0 HB3 SER A 597 31.195 -6.169 3.456 1.00 0.00 H new ATOM 0 HG SER A 597 29.929 -4.013 2.821 1.00 0.00 H new ATOM 1006 N THR A 598 33.171 -2.927 1.636 1.00 0.00 N ATOM 1007 CA THR A 598 33.549 -1.899 0.647 1.00 0.00 C ATOM 1008 C THR A 598 35.054 -1.879 0.357 1.00 0.00 C ATOM 1009 O THR A 598 35.440 -1.801 -0.813 1.00 0.00 O ATOM 1010 CB THR A 598 33.100 -0.500 1.110 1.00 0.00 C ATOM 1011 OG1 THR A 598 33.289 -0.340 2.506 1.00 0.00 O ATOM 1012 CG2 THR A 598 31.624 -0.237 0.837 1.00 0.00 C ATOM 0 H THR A 598 32.854 -2.532 2.521 1.00 0.00 H new ATOM 0 HA THR A 598 33.036 -2.165 -0.277 1.00 0.00 H new ATOM 0 HB THR A 598 33.712 0.201 0.542 1.00 0.00 H new ATOM 0 HG1 THR A 598 33.469 0.602 2.706 1.00 0.00 H new ATOM 0 HG21 THR A 598 31.362 0.763 1.183 1.00 0.00 H new ATOM 0 HG22 THR A 598 31.433 -0.312 -0.234 1.00 0.00 H new ATOM 0 HG23 THR A 598 31.019 -0.974 1.366 1.00 0.00 H new ATOM 1020 N CYS A 599 35.907 -2.006 1.384 1.00 0.00 N ATOM 1021 CA CYS A 599 37.358 -2.107 1.239 1.00 0.00 C ATOM 1022 C CYS A 599 37.740 -3.318 0.367 1.00 0.00 C ATOM 1023 O CYS A 599 38.369 -3.166 -0.679 1.00 0.00 O ATOM 1024 CB CYS A 599 37.995 -2.180 2.641 1.00 0.00 C ATOM 1025 SG CYS A 599 37.909 -0.578 3.517 1.00 0.00 S ATOM 0 H CYS A 599 35.597 -2.042 2.355 1.00 0.00 H new ATOM 0 HA CYS A 599 37.741 -1.224 0.728 1.00 0.00 H new ATOM 0 HB2 CYS A 599 37.487 -2.943 3.231 1.00 0.00 H new ATOM 0 HB3 CYS A 599 39.037 -2.488 2.550 1.00 0.00 H new ATOM 1030 N TYR A 600 37.344 -4.522 0.790 1.00 0.00 N ATOM 1031 CA TYR A 600 37.656 -5.780 0.111 1.00 0.00 C ATOM 1032 C TYR A 600 37.161 -5.806 -1.343 1.00 0.00 C ATOM 1033 O TYR A 600 37.916 -6.186 -2.239 1.00 0.00 O ATOM 1034 CB TYR A 600 37.068 -6.937 0.929 1.00 0.00 C ATOM 1035 CG TYR A 600 37.332 -8.297 0.312 1.00 0.00 C ATOM 1036 CD1 TYR A 600 38.547 -8.953 0.582 1.00 0.00 C ATOM 1037 CD2 TYR A 600 36.395 -8.873 -0.571 1.00 0.00 C ATOM 1038 CE1 TYR A 600 38.838 -10.180 -0.046 1.00 0.00 C ATOM 1039 CE2 TYR A 600 36.679 -10.108 -1.189 1.00 0.00 C ATOM 1040 CZ TYR A 600 37.904 -10.763 -0.930 1.00 0.00 C ATOM 1041 OH TYR A 600 38.184 -11.955 -1.524 1.00 0.00 O ATOM 0 H TYR A 600 36.785 -4.650 1.633 1.00 0.00 H new ATOM 0 HA TYR A 600 38.739 -5.885 0.051 1.00 0.00 H new ATOM 0 HB2 TYR A 600 37.488 -6.913 1.935 1.00 0.00 H new ATOM 0 HB3 TYR A 600 35.992 -6.793 1.029 1.00 0.00 H new ATOM 0 HD1 TYR A 600 39.256 -8.516 1.270 1.00 0.00 H new ATOM 0 HD2 TYR A 600 35.462 -8.369 -0.773 1.00 0.00 H new ATOM 0 HE1 TYR A 600 39.777 -10.676 0.149 1.00 0.00 H new ATOM 0 HE2 TYR A 600 35.960 -10.554 -1.861 1.00 0.00 H new ATOM 0 HH TYR A 600 37.436 -12.217 -2.101 1.00 0.00 H new ATOM 1051 N HIS A 601 35.938 -5.330 -1.601 1.00 0.00 N ATOM 1052 CA HIS A 601 35.332 -5.287 -2.940 1.00 0.00 C ATOM 1053 C HIS A 601 36.147 -4.486 -3.969 1.00 0.00 C ATOM 1054 O HIS A 601 36.286 -4.910 -5.115 1.00 0.00 O ATOM 1055 CB HIS A 601 33.908 -4.721 -2.796 1.00 0.00 C ATOM 1056 CG HIS A 601 33.179 -4.479 -4.097 1.00 0.00 C ATOM 1057 ND1 HIS A 601 32.581 -5.460 -4.895 1.00 0.00 N ATOM 1058 CD2 HIS A 601 32.971 -3.257 -4.675 1.00 0.00 C ATOM 1059 CE1 HIS A 601 32.028 -4.807 -5.932 1.00 0.00 C ATOM 1060 NE2 HIS A 601 32.256 -3.485 -5.827 1.00 0.00 N ATOM 0 H HIS A 601 35.329 -4.957 -0.873 1.00 0.00 H new ATOM 0 HA HIS A 601 35.312 -6.302 -3.336 1.00 0.00 H new ATOM 0 HB2 HIS A 601 33.319 -5.410 -2.191 1.00 0.00 H new ATOM 0 HB3 HIS A 601 33.961 -3.781 -2.247 1.00 0.00 H new ATOM 0 HD2 HIS A 601 33.303 -2.300 -4.300 1.00 0.00 H new ATOM 0 HE1 HIS A 601 31.479 -5.277 -6.735 1.00 0.00 H new ATOM 0 HE2 HIS A 601 31.950 -2.773 -6.490 1.00 0.00 H new ATOM 1068 N GLU A 602 36.728 -3.356 -3.555 1.00 0.00 N ATOM 1069 CA GLU A 602 37.536 -2.484 -4.419 1.00 0.00 C ATOM 1070 C GLU A 602 39.042 -2.824 -4.432 1.00 0.00 C ATOM 1071 O GLU A 602 39.725 -2.539 -5.417 1.00 0.00 O ATOM 1072 CB GLU A 602 37.296 -1.030 -3.966 1.00 0.00 C ATOM 1073 CG GLU A 602 38.006 0.072 -4.782 1.00 0.00 C ATOM 1074 CD GLU A 602 37.716 0.048 -6.301 1.00 0.00 C ATOM 1075 OE1 GLU A 602 38.596 0.475 -7.090 1.00 0.00 O ATOM 1076 OE2 GLU A 602 36.599 -0.337 -6.727 1.00 0.00 O ATOM 0 H GLU A 602 36.650 -3.015 -2.597 1.00 0.00 H new ATOM 0 HA GLU A 602 37.217 -2.637 -5.450 1.00 0.00 H new ATOM 0 HB2 GLU A 602 36.224 -0.837 -3.993 1.00 0.00 H new ATOM 0 HB3 GLU A 602 37.610 -0.940 -2.926 1.00 0.00 H new ATOM 0 HG2 GLU A 602 37.711 1.044 -4.386 1.00 0.00 H new ATOM 0 HG3 GLU A 602 39.082 -0.021 -4.631 1.00 0.00 H new ATOM 1083 N THR A 603 39.561 -3.450 -3.367 1.00 0.00 N ATOM 1084 CA THR A 603 41.019 -3.579 -3.133 1.00 0.00 C ATOM 1085 C THR A 603 41.596 -4.990 -3.287 1.00 0.00 C ATOM 1086 O THR A 603 42.780 -5.118 -3.597 1.00 0.00 O ATOM 1087 CB THR A 603 41.375 -3.017 -1.737 1.00 0.00 C ATOM 1088 OG1 THR A 603 40.863 -1.707 -1.577 1.00 0.00 O ATOM 1089 CG2 THR A 603 42.873 -2.927 -1.451 1.00 0.00 C ATOM 0 H THR A 603 38.990 -3.883 -2.641 1.00 0.00 H new ATOM 0 HA THR A 603 41.485 -2.998 -3.929 1.00 0.00 H new ATOM 0 HB THR A 603 40.928 -3.731 -1.045 1.00 0.00 H new ATOM 0 HG1 THR A 603 39.945 -1.754 -1.238 1.00 0.00 H new ATOM 0 HG21 THR A 603 43.029 -2.523 -0.451 1.00 0.00 H new ATOM 0 HG22 THR A 603 43.316 -3.921 -1.513 1.00 0.00 H new ATOM 0 HG23 THR A 603 43.345 -2.273 -2.184 1.00 0.00 H new ATOM 1097 N SER A 604 40.803 -6.051 -3.090 1.00 0.00 N ATOM 1098 CA SER A 604 41.299 -7.442 -2.979 1.00 0.00 C ATOM 1099 C SER A 604 42.135 -7.936 -4.175 1.00 0.00 C ATOM 1100 O SER A 604 43.349 -8.094 -4.037 1.00 0.00 O ATOM 1101 CB SER A 604 40.144 -8.407 -2.677 1.00 0.00 C ATOM 1102 OG SER A 604 39.122 -8.357 -3.662 1.00 0.00 O ATOM 0 H SER A 604 39.790 -5.975 -3.002 1.00 0.00 H new ATOM 0 HA SER A 604 41.996 -7.429 -2.141 1.00 0.00 H new ATOM 0 HB2 SER A 604 40.532 -9.424 -2.612 1.00 0.00 H new ATOM 0 HB3 SER A 604 39.718 -8.165 -1.703 1.00 0.00 H new ATOM 0 HG SER A 604 38.487 -7.645 -3.438 1.00 0.00 H new ATOM 1108 N GLN A 605 41.499 -8.189 -5.326 1.00 0.00 N ATOM 1109 CA GLN A 605 42.068 -8.641 -6.611 1.00 0.00 C ATOM 1110 C GLN A 605 43.182 -9.716 -6.526 1.00 0.00 C ATOM 1111 O GLN A 605 42.887 -10.909 -6.607 1.00 0.00 O ATOM 1112 CB GLN A 605 42.428 -7.432 -7.501 1.00 0.00 C ATOM 1113 CG GLN A 605 42.705 -7.861 -8.953 1.00 0.00 C ATOM 1114 CD GLN A 605 43.204 -6.713 -9.829 1.00 0.00 C ATOM 1115 OE1 GLN A 605 42.659 -5.615 -9.855 1.00 0.00 O ATOM 1116 NE2 GLN A 605 44.256 -6.915 -10.596 1.00 0.00 N ATOM 0 H GLN A 605 40.488 -8.074 -5.392 1.00 0.00 H new ATOM 0 HA GLN A 605 41.271 -9.199 -7.102 1.00 0.00 H new ATOM 0 HB2 GLN A 605 41.611 -6.710 -7.484 1.00 0.00 H new ATOM 0 HB3 GLN A 605 43.306 -6.929 -7.095 1.00 0.00 H new ATOM 0 HG2 GLN A 605 43.446 -8.661 -8.955 1.00 0.00 H new ATOM 0 HG3 GLN A 605 41.792 -8.271 -9.386 1.00 0.00 H new ATOM 0 HE21 GLN A 605 44.725 -7.821 -10.590 1.00 0.00 H new ATOM 0 HE22 GLN A 605 44.601 -6.166 -11.196 1.00 0.00 H new ATOM 1125 N ASN A 606 44.452 -9.302 -6.407 1.00 0.00 N ATOM 1126 CA ASN A 606 45.647 -10.157 -6.386 1.00 0.00 C ATOM 1127 C ASN A 606 46.782 -9.550 -5.533 1.00 0.00 C ATOM 1128 O ASN A 606 46.955 -8.330 -5.505 1.00 0.00 O ATOM 1129 CB ASN A 606 46.114 -10.457 -7.832 1.00 0.00 C ATOM 1130 CG ASN A 606 46.267 -9.255 -8.765 1.00 0.00 C ATOM 1131 OD1 ASN A 606 45.875 -9.296 -9.923 1.00 0.00 O ATOM 1132 ND2 ASN A 606 46.796 -8.134 -8.323 1.00 0.00 N ATOM 0 H ASN A 606 44.685 -8.313 -6.318 1.00 0.00 H new ATOM 0 HA ASN A 606 45.378 -11.099 -5.909 1.00 0.00 H new ATOM 0 HB2 ASN A 606 47.073 -10.972 -7.780 1.00 0.00 H new ATOM 0 HB3 ASN A 606 45.404 -11.150 -8.283 1.00 0.00 H new ATOM 0 HD21 ASN A 606 46.871 -7.327 -8.942 1.00 0.00 H new ATOM 0 HD22 ASN A 606 47.131 -8.072 -7.362 1.00 0.00 H new ATOM 1139 N SER A 607 47.600 -10.390 -4.890 1.00 0.00 N ATOM 1140 CA SER A 607 48.764 -9.947 -4.093 1.00 0.00 C ATOM 1141 C SER A 607 49.941 -9.450 -4.955 1.00 0.00 C ATOM 1142 O SER A 607 50.616 -8.477 -4.596 1.00 0.00 O ATOM 1143 CB SER A 607 49.216 -11.099 -3.182 1.00 0.00 C ATOM 1144 OG SER A 607 50.281 -10.707 -2.330 1.00 0.00 O ATOM 0 H SER A 607 47.478 -11.403 -4.904 1.00 0.00 H new ATOM 0 HA SER A 607 48.445 -9.091 -3.498 1.00 0.00 H new ATOM 0 HB2 SER A 607 48.374 -11.438 -2.579 1.00 0.00 H new ATOM 0 HB3 SER A 607 49.531 -11.944 -3.794 1.00 0.00 H new ATOM 0 HG SER A 607 50.542 -11.463 -1.764 1.00 0.00 H new ATOM 1150 N SER A 608 50.162 -10.077 -6.119 1.00 0.00 N ATOM 1151 CA SER A 608 51.259 -9.795 -7.071 1.00 0.00 C ATOM 1152 C SER A 608 50.925 -10.195 -8.518 1.00 0.00 C ATOM 1153 O SER A 608 51.434 -9.524 -9.445 1.00 0.00 O ATOM 1154 CB SER A 608 52.558 -10.465 -6.600 1.00 0.00 C ATOM 1155 OG SER A 608 52.394 -11.868 -6.433 1.00 0.00 O ATOM 1156 OXT SER A 608 50.155 -11.162 -8.729 1.00 0.00 O ATOM 0 H SER A 608 49.556 -10.831 -6.443 1.00 0.00 H new ATOM 0 HA SER A 608 51.396 -8.714 -7.082 1.00 0.00 H new ATOM 0 HB2 SER A 608 53.350 -10.275 -7.325 1.00 0.00 H new ATOM 0 HB3 SER A 608 52.876 -10.021 -5.657 1.00 0.00 H new ATOM 0 HG SER A 608 53.240 -12.263 -6.134 1.00 0.00 H new TER 1162 SER A 608 HETATM 1163 ZN ZN A 701 38.715 -0.975 5.791 1.00 0.00 ZN