USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=21 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 606 ASN : amide:sc= 0.582 X(o=1.3,f=1.2) USER MOD Set 1.2: A 608 SER OG : rot 180:sc= 0.673 USER MOD Set 2.1: A 604 SER OG : rot 180:sc= 0.439 USER MOD Set 2.2: A 605 GLN : amide:sc= 0.484 X(o=0.92,f=0.92) USER MOD Set 3.1: A 586 ASN : amide:sc= 1.54 K(o=1.8,f=-3.6!) USER MOD Set 3.2: A 598 THR OG1 : rot 180:sc= 0.259 USER MOD Set 4.1: A 563 LYS NZ :NH3+ -154:sc= 0.636 (180deg=0) USER MOD Set 4.2: A 570 THR OG1 : rot 180:sc= 0.574 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= 0.0495 USER MOD Single : A 542 ASN : amide:sc= -0.0358 X(o=-0.036,f=-0.036) 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 180:sc= 0.388 USER MOD Single : A 558 GLN : amide:sc= 0.747 K(o=0.75,f=-5.4!) USER MOD Single : A 560 MET CE :methyl -150:sc= -0.12 (180deg=-1.14) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=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+ 180:sc= 0 (180deg=0) USER MOD Single : A 587 THR OG1 : rot -160:sc=-0.000141 USER MOD Single : A 591 ASN : amide:sc= -0.0398 X(o=-0.04,f=-0.34) 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 -140:sc= 0 USER MOD Single : A 600 TYR OH : rot 180:sc= 0 USER MOD Single : A 601 HIS : no HD1:sc=-0.00648 X(o=-0.0065,f=0) USER MOD Single : A 603 THR OG1 : rot 170:sc= -0.0204 USER MOD Single : A 607 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 533 14.243 0.139 -5.851 1.00 0.00 N ATOM 2 CA GLY A 533 13.821 1.383 -5.170 1.00 0.00 C ATOM 3 C GLY A 533 12.902 2.226 -6.045 1.00 0.00 C ATOM 4 O GLY A 533 12.568 1.838 -7.168 1.00 0.00 O ATOM 0 HA2 GLY A 533 13.309 1.132 -4.241 1.00 0.00 H new ATOM 0 HA3 GLY A 533 14.702 1.966 -4.901 1.00 0.00 H new ATOM 10 N GLY A 534 12.482 3.387 -5.535 1.00 0.00 N ATOM 11 CA GLY A 534 11.611 4.331 -6.255 1.00 0.00 C ATOM 12 C GLY A 534 12.295 5.010 -7.452 1.00 0.00 C ATOM 13 O GLY A 534 13.508 5.233 -7.443 1.00 0.00 O ATOM 0 H GLY A 534 12.738 3.705 -4.600 1.00 0.00 H new ATOM 0 HA2 GLY A 534 10.726 3.800 -6.606 1.00 0.00 H new ATOM 0 HA3 GLY A 534 11.268 5.098 -5.560 1.00 0.00 H new ATOM 17 N SER A 535 11.510 5.362 -8.476 1.00 0.00 N ATOM 18 CA SER A 535 11.982 6.044 -9.698 1.00 0.00 C ATOM 19 C SER A 535 12.396 7.508 -9.468 1.00 0.00 C ATOM 20 O SER A 535 13.227 8.039 -10.207 1.00 0.00 O ATOM 21 CB SER A 535 10.896 5.969 -10.780 1.00 0.00 C ATOM 22 OG SER A 535 9.690 6.579 -10.338 1.00 0.00 O ATOM 0 H SER A 535 10.507 5.179 -8.484 1.00 0.00 H new ATOM 0 HA SER A 535 12.882 5.521 -10.021 1.00 0.00 H new ATOM 0 HB2 SER A 535 11.246 6.463 -11.686 1.00 0.00 H new ATOM 0 HB3 SER A 535 10.707 4.927 -11.038 1.00 0.00 H new ATOM 0 HG SER A 535 9.015 6.520 -11.046 1.00 0.00 H new ATOM 28 N GLU A 536 11.864 8.152 -8.425 1.00 0.00 N ATOM 29 CA GLU A 536 12.226 9.499 -7.968 1.00 0.00 C ATOM 30 C GLU A 536 12.224 9.520 -6.429 1.00 0.00 C ATOM 31 O GLU A 536 11.177 9.648 -5.788 1.00 0.00 O ATOM 32 CB GLU A 536 11.274 10.530 -8.603 1.00 0.00 C ATOM 33 CG GLU A 536 11.660 11.973 -8.247 1.00 0.00 C ATOM 34 CD GLU A 536 10.886 13.016 -9.081 1.00 0.00 C ATOM 35 OE1 GLU A 536 11.515 13.996 -9.557 1.00 0.00 O ATOM 36 OE2 GLU A 536 9.647 12.889 -9.255 1.00 0.00 O ATOM 0 H GLU A 536 11.136 7.730 -7.849 1.00 0.00 H new ATOM 0 HA GLU A 536 13.231 9.772 -8.289 1.00 0.00 H new ATOM 0 HB2 GLU A 536 11.282 10.410 -9.686 1.00 0.00 H new ATOM 0 HB3 GLU A 536 10.255 10.335 -8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 536 11.469 12.146 -7.188 1.00 0.00 H new ATOM 0 HG3 GLU A 536 12.730 12.109 -8.404 1.00 0.00 H new ATOM 43 N PHE A 537 13.404 9.297 -5.844 1.00 0.00 N ATOM 44 CA PHE A 537 13.615 9.050 -4.409 1.00 0.00 C ATOM 45 C PHE A 537 15.038 9.467 -3.967 1.00 0.00 C ATOM 46 O PHE A 537 15.824 9.982 -4.771 1.00 0.00 O ATOM 47 CB PHE A 537 13.328 7.552 -4.153 1.00 0.00 C ATOM 48 CG PHE A 537 13.280 7.137 -2.693 1.00 0.00 C ATOM 49 CD1 PHE A 537 14.276 6.300 -2.152 1.00 0.00 C ATOM 50 CD2 PHE A 537 12.244 7.609 -1.866 1.00 0.00 C ATOM 51 CE1 PHE A 537 14.237 5.945 -0.791 1.00 0.00 C ATOM 52 CE2 PHE A 537 12.207 7.255 -0.505 1.00 0.00 C ATOM 53 CZ PHE A 537 13.204 6.422 0.034 1.00 0.00 C ATOM 0 H PHE A 537 14.275 9.282 -6.375 1.00 0.00 H new ATOM 0 HA PHE A 537 12.939 9.658 -3.809 1.00 0.00 H new ATOM 0 HB2 PHE A 537 12.375 7.298 -4.617 1.00 0.00 H new ATOM 0 HB3 PHE A 537 14.094 6.962 -4.656 1.00 0.00 H new ATOM 0 HD1 PHE A 537 15.071 5.930 -2.783 1.00 0.00 H new ATOM 0 HD2 PHE A 537 11.475 8.245 -2.278 1.00 0.00 H new ATOM 0 HE1 PHE A 537 15.003 5.304 -0.379 1.00 0.00 H new ATOM 0 HE2 PHE A 537 11.412 7.623 0.127 1.00 0.00 H new ATOM 0 HZ PHE A 537 13.176 6.150 1.079 1.00 0.00 H new ATOM 63 N SER A 538 15.375 9.258 -2.691 1.00 0.00 N ATOM 64 CA SER A 538 16.711 9.474 -2.110 1.00 0.00 C ATOM 65 C SER A 538 17.830 8.691 -2.823 1.00 0.00 C ATOM 66 O SER A 538 17.581 7.702 -3.516 1.00 0.00 O ATOM 67 CB SER A 538 16.693 9.088 -0.624 1.00 0.00 C ATOM 68 OG SER A 538 15.698 9.815 0.083 1.00 0.00 O ATOM 0 H SER A 538 14.701 8.920 -2.004 1.00 0.00 H new ATOM 0 HA SER A 538 16.936 10.533 -2.239 1.00 0.00 H new ATOM 0 HB2 SER A 538 16.505 8.019 -0.525 1.00 0.00 H new ATOM 0 HB3 SER A 538 17.671 9.282 -0.183 1.00 0.00 H new ATOM 0 HG SER A 538 15.707 9.549 1.026 1.00 0.00 H new ATOM 74 N ASP A 539 19.081 9.125 -2.636 1.00 0.00 N ATOM 75 CA ASP A 539 20.285 8.607 -3.310 1.00 0.00 C ATOM 76 C ASP A 539 20.729 7.210 -2.811 1.00 0.00 C ATOM 77 O ASP A 539 21.768 7.052 -2.161 1.00 0.00 O ATOM 78 CB ASP A 539 21.420 9.646 -3.199 1.00 0.00 C ATOM 79 CG ASP A 539 21.099 11.027 -3.810 1.00 0.00 C ATOM 80 OD1 ASP A 539 21.588 12.050 -3.272 1.00 0.00 O ATOM 81 OD2 ASP A 539 20.391 11.111 -4.843 1.00 0.00 O ATOM 0 H ASP A 539 19.295 9.879 -1.984 1.00 0.00 H new ATOM 0 HA ASP A 539 20.032 8.456 -4.359 1.00 0.00 H new ATOM 0 HB2 ASP A 539 21.669 9.780 -2.146 1.00 0.00 H new ATOM 0 HB3 ASP A 539 22.308 9.246 -3.688 1.00 0.00 H new ATOM 86 N ARG A 540 19.942 6.172 -3.125 1.00 0.00 N ATOM 87 CA ARG A 540 20.212 4.748 -2.847 1.00 0.00 C ATOM 88 C ARG A 540 21.310 4.171 -3.760 1.00 0.00 C ATOM 89 O ARG A 540 21.074 3.276 -4.575 1.00 0.00 O ATOM 90 CB ARG A 540 18.892 3.947 -2.913 1.00 0.00 C ATOM 91 CG ARG A 540 17.868 4.313 -1.820 1.00 0.00 C ATOM 92 CD ARG A 540 18.382 4.187 -0.376 1.00 0.00 C ATOM 93 NE ARG A 540 18.935 2.846 -0.094 1.00 0.00 N ATOM 94 CZ ARG A 540 19.569 2.462 1.001 1.00 0.00 C ATOM 95 NH1 ARG A 540 19.749 3.266 2.011 1.00 0.00 N ATOM 96 NH2 ARG A 540 20.039 1.251 1.095 1.00 0.00 N ATOM 0 H ARG A 540 19.052 6.306 -3.605 1.00 0.00 H new ATOM 0 HA ARG A 540 20.610 4.660 -1.836 1.00 0.00 H new ATOM 0 HB2 ARG A 540 18.434 4.105 -3.890 1.00 0.00 H new ATOM 0 HB3 ARG A 540 19.122 2.884 -2.837 1.00 0.00 H new ATOM 0 HG2 ARG A 540 17.537 5.339 -1.983 1.00 0.00 H new ATOM 0 HG3 ARG A 540 16.993 3.673 -1.935 1.00 0.00 H new ATOM 0 HD2 ARG A 540 19.151 4.939 -0.199 1.00 0.00 H new ATOM 0 HD3 ARG A 540 17.567 4.395 0.317 1.00 0.00 H new ATOM 0 HE ARG A 540 18.815 2.141 -0.822 1.00 0.00 H new ATOM 0 HH11 ARG A 540 19.396 4.222 1.971 1.00 0.00 H new ATOM 0 HH12 ARG A 540 20.242 2.939 2.842 1.00 0.00 H new ATOM 0 HH21 ARG A 540 19.919 0.596 0.323 1.00 0.00 H new ATOM 0 HH22 ARG A 540 20.528 0.958 1.941 1.00 0.00 H new ATOM 110 N SER A 541 22.518 4.718 -3.631 1.00 0.00 N ATOM 111 CA SER A 541 23.727 4.297 -4.355 1.00 0.00 C ATOM 112 C SER A 541 24.166 2.869 -3.999 1.00 0.00 C ATOM 113 O SER A 541 23.968 2.407 -2.871 1.00 0.00 O ATOM 114 CB SER A 541 24.862 5.293 -4.070 1.00 0.00 C ATOM 115 OG SER A 541 26.063 4.903 -4.719 1.00 0.00 O ATOM 0 H SER A 541 22.693 5.497 -2.996 1.00 0.00 H new ATOM 0 HA SER A 541 23.490 4.292 -5.419 1.00 0.00 H new ATOM 0 HB2 SER A 541 24.570 6.287 -4.407 1.00 0.00 H new ATOM 0 HB3 SER A 541 25.031 5.358 -2.995 1.00 0.00 H new ATOM 0 HG SER A 541 26.768 5.555 -4.522 1.00 0.00 H new ATOM 121 N ASN A 542 24.841 2.193 -4.937 1.00 0.00 N ATOM 122 CA ASN A 542 25.508 0.904 -4.702 1.00 0.00 C ATOM 123 C ASN A 542 26.554 0.980 -3.569 1.00 0.00 C ATOM 124 O ASN A 542 26.798 -0.017 -2.889 1.00 0.00 O ATOM 125 CB ASN A 542 26.170 0.427 -6.010 1.00 0.00 C ATOM 126 CG ASN A 542 25.196 0.265 -7.165 1.00 0.00 C ATOM 127 OD1 ASN A 542 24.189 -0.422 -7.072 1.00 0.00 O ATOM 128 ND2 ASN A 542 25.449 0.894 -8.292 1.00 0.00 N ATOM 0 H ASN A 542 24.941 2.530 -5.895 1.00 0.00 H new ATOM 0 HA ASN A 542 24.750 0.189 -4.384 1.00 0.00 H new ATOM 0 HB2 ASN A 542 26.943 1.140 -6.296 1.00 0.00 H new ATOM 0 HB3 ASN A 542 26.666 -0.526 -5.829 1.00 0.00 H new ATOM 0 HD21 ASN A 542 24.807 0.807 -9.080 1.00 0.00 H new ATOM 0 HD22 ASN A 542 26.287 1.469 -8.378 1.00 0.00 H new ATOM 135 N GLU A 543 27.128 2.162 -3.317 1.00 0.00 N ATOM 136 CA GLU A 543 28.035 2.437 -2.192 1.00 0.00 C ATOM 137 C GLU A 543 27.399 2.070 -0.839 1.00 0.00 C ATOM 138 O GLU A 543 28.069 1.524 0.037 1.00 0.00 O ATOM 139 CB GLU A 543 28.411 3.936 -2.237 1.00 0.00 C ATOM 140 CG GLU A 543 29.258 4.476 -1.066 1.00 0.00 C ATOM 141 CD GLU A 543 30.702 3.932 -0.969 1.00 0.00 C ATOM 142 OE1 GLU A 543 31.365 4.223 0.057 1.00 0.00 O ATOM 143 OE2 GLU A 543 31.195 3.258 -1.905 1.00 0.00 O ATOM 0 H GLU A 543 26.971 2.979 -3.907 1.00 0.00 H new ATOM 0 HA GLU A 543 28.928 1.819 -2.289 1.00 0.00 H new ATOM 0 HB2 GLU A 543 28.954 4.122 -3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 543 27.489 4.516 -2.286 1.00 0.00 H new ATOM 0 HG2 GLU A 543 29.304 5.562 -1.147 1.00 0.00 H new ATOM 0 HG3 GLU A 543 28.741 4.248 -0.134 1.00 0.00 H new ATOM 150 N LEU A 544 26.093 2.320 -0.675 1.00 0.00 N ATOM 151 CA LEU A 544 25.355 2.002 0.554 1.00 0.00 C ATOM 152 C LEU A 544 25.104 0.496 0.708 1.00 0.00 C ATOM 153 O LEU A 544 25.169 -0.041 1.813 1.00 0.00 O ATOM 154 CB LEU A 544 24.020 2.771 0.597 1.00 0.00 C ATOM 155 CG LEU A 544 24.113 4.290 0.354 1.00 0.00 C ATOM 156 CD1 LEU A 544 22.735 4.923 0.538 1.00 0.00 C ATOM 157 CD2 LEU A 544 25.083 4.990 1.307 1.00 0.00 C ATOM 0 H LEU A 544 25.515 2.751 -1.397 1.00 0.00 H new ATOM 0 HA LEU A 544 25.978 2.316 1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 544 23.352 2.343 -0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 544 23.558 2.605 1.570 1.00 0.00 H new ATOM 0 HG LEU A 544 24.483 4.418 -0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 544 22.802 5.997 0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 544 22.035 4.485 -0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 544 22.383 4.740 1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 544 25.104 6.057 1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 544 24.755 4.839 2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 544 26.082 4.573 1.180 1.00 0.00 H new ATOM 169 N GLU A 545 24.850 -0.203 -0.400 1.00 0.00 N ATOM 170 CA GLU A 545 24.570 -1.647 -0.412 1.00 0.00 C ATOM 171 C GLU A 545 25.809 -2.503 -0.103 1.00 0.00 C ATOM 172 O GLU A 545 25.690 -3.532 0.568 1.00 0.00 O ATOM 173 CB GLU A 545 23.950 -2.055 -1.759 1.00 0.00 C ATOM 174 CG GLU A 545 22.632 -1.319 -2.049 1.00 0.00 C ATOM 175 CD GLU A 545 21.774 -2.026 -3.123 1.00 0.00 C ATOM 176 OE1 GLU A 545 22.329 -2.620 -4.080 1.00 0.00 O ATOM 177 OE2 GLU A 545 20.523 -1.974 -3.025 1.00 0.00 O ATOM 0 H GLU A 545 24.832 0.220 -1.328 1.00 0.00 H new ATOM 0 HA GLU A 545 23.857 -1.839 0.390 1.00 0.00 H new ATOM 0 HB2 GLU A 545 24.661 -1.849 -2.559 1.00 0.00 H new ATOM 0 HB3 GLU A 545 23.770 -3.130 -1.761 1.00 0.00 H new ATOM 0 HG2 GLU A 545 22.057 -1.237 -1.127 1.00 0.00 H new ATOM 0 HG3 GLU A 545 22.853 -0.304 -2.378 1.00 0.00 H new ATOM 184 N ILE A 546 27.000 -2.060 -0.519 1.00 0.00 N ATOM 185 CA ILE A 546 28.274 -2.691 -0.124 1.00 0.00 C ATOM 186 C ILE A 546 28.534 -2.499 1.384 1.00 0.00 C ATOM 187 O ILE A 546 29.040 -3.402 2.050 1.00 0.00 O ATOM 188 CB ILE A 546 29.444 -2.139 -0.976 1.00 0.00 C ATOM 189 CG1 ILE A 546 29.261 -2.355 -2.499 1.00 0.00 C ATOM 190 CG2 ILE A 546 30.791 -2.736 -0.532 1.00 0.00 C ATOM 191 CD1 ILE A 546 29.545 -3.781 -2.994 1.00 0.00 C ATOM 0 H ILE A 546 27.113 -1.257 -1.137 1.00 0.00 H new ATOM 0 HA ILE A 546 28.203 -3.762 -0.313 1.00 0.00 H new ATOM 0 HB ILE A 546 29.442 -1.063 -0.800 1.00 0.00 H new ATOM 0 HG12 ILE A 546 28.238 -2.091 -2.767 1.00 0.00 H new ATOM 0 HG13 ILE A 546 29.918 -1.665 -3.029 1.00 0.00 H new ATOM 0 HG21 ILE A 546 31.591 -2.328 -1.150 1.00 0.00 H new ATOM 0 HG22 ILE A 546 30.974 -2.483 0.512 1.00 0.00 H new ATOM 0 HG23 ILE A 546 30.763 -3.820 -0.644 1.00 0.00 H new ATOM 0 HD11 ILE A 546 29.389 -3.830 -4.072 1.00 0.00 H new ATOM 0 HD12 ILE A 546 30.577 -4.047 -2.764 1.00 0.00 H new ATOM 0 HD13 ILE A 546 28.871 -4.479 -2.498 1.00 0.00 H new ATOM 203 N ARG A 547 28.154 -1.349 1.956 1.00 0.00 N ATOM 204 CA ARG A 547 28.310 -1.045 3.396 1.00 0.00 C ATOM 205 C ARG A 547 27.257 -1.718 4.276 1.00 0.00 C ATOM 206 O ARG A 547 27.530 -2.003 5.442 1.00 0.00 O ATOM 207 CB ARG A 547 28.296 0.473 3.619 1.00 0.00 C ATOM 208 CG ARG A 547 29.547 1.117 3.015 1.00 0.00 C ATOM 209 CD ARG A 547 29.597 2.619 3.308 1.00 0.00 C ATOM 210 NE ARG A 547 30.788 3.223 2.700 1.00 0.00 N ATOM 211 CZ ARG A 547 32.023 3.237 3.164 1.00 0.00 C ATOM 212 NH1 ARG A 547 32.381 2.640 4.266 1.00 0.00 N ATOM 213 NH2 ARG A 547 32.932 3.858 2.472 1.00 0.00 N ATOM 0 H ARG A 547 27.723 -0.589 1.430 1.00 0.00 H new ATOM 0 HA ARG A 547 29.273 -1.457 3.698 1.00 0.00 H new ATOM 0 HB2 ARG A 547 27.403 0.904 3.166 1.00 0.00 H new ATOM 0 HB3 ARG A 547 28.248 0.689 4.686 1.00 0.00 H new ATOM 0 HG2 ARG A 547 30.438 0.636 3.419 1.00 0.00 H new ATOM 0 HG3 ARG A 547 29.558 0.954 1.937 1.00 0.00 H new ATOM 0 HD2 ARG A 547 28.700 3.101 2.920 1.00 0.00 H new ATOM 0 HD3 ARG A 547 29.608 2.785 4.385 1.00 0.00 H new ATOM 0 HE ARG A 547 30.643 3.691 1.806 1.00 0.00 H new ATOM 0 HH11 ARG A 547 31.691 2.129 4.817 1.00 0.00 H new ATOM 0 HH12 ARG A 547 33.351 2.684 4.578 1.00 0.00 H new ATOM 0 HH21 ARG A 547 32.681 4.317 1.596 1.00 0.00 H new ATOM 0 HH22 ARG A 547 33.896 3.886 2.805 1.00 0.00 H new ATOM 227 N GLY A 548 26.086 -2.020 3.718 1.00 0.00 N ATOM 228 CA GLY A 548 24.990 -2.737 4.374 1.00 0.00 C ATOM 229 C GLY A 548 25.259 -4.224 4.653 1.00 0.00 C ATOM 230 O GLY A 548 24.483 -4.859 5.370 1.00 0.00 O ATOM 0 H GLY A 548 25.864 -1.762 2.756 1.00 0.00 H new ATOM 0 HA2 GLY A 548 24.766 -2.241 5.318 1.00 0.00 H new ATOM 0 HA3 GLY A 548 24.099 -2.655 3.751 1.00 0.00 H new ATOM 234 N LYS A 549 26.359 -4.786 4.127 1.00 0.00 N ATOM 235 CA LYS A 549 26.850 -6.136 4.463 1.00 0.00 C ATOM 236 C LYS A 549 27.244 -6.245 5.942 1.00 0.00 C ATOM 237 O LYS A 549 27.704 -5.278 6.551 1.00 0.00 O ATOM 238 CB LYS A 549 28.052 -6.487 3.571 1.00 0.00 C ATOM 239 CG LYS A 549 27.766 -6.479 2.054 1.00 0.00 C ATOM 240 CD LYS A 549 26.728 -7.524 1.626 1.00 0.00 C ATOM 241 CE LYS A 549 26.561 -7.473 0.102 1.00 0.00 C ATOM 242 NZ LYS A 549 25.614 -8.504 -0.376 1.00 0.00 N ATOM 0 H LYS A 549 26.945 -4.307 3.443 1.00 0.00 H new ATOM 0 HA LYS A 549 26.040 -6.843 4.284 1.00 0.00 H new ATOM 0 HB2 LYS A 549 28.856 -5.781 3.777 1.00 0.00 H new ATOM 0 HB3 LYS A 549 28.416 -7.475 3.851 1.00 0.00 H new ATOM 0 HG2 LYS A 549 27.416 -5.489 1.763 1.00 0.00 H new ATOM 0 HG3 LYS A 549 28.696 -6.659 1.515 1.00 0.00 H new ATOM 0 HD2 LYS A 549 27.047 -8.519 1.936 1.00 0.00 H new ATOM 0 HD3 LYS A 549 25.774 -7.328 2.115 1.00 0.00 H new ATOM 0 HE2 LYS A 549 26.205 -6.486 -0.193 1.00 0.00 H new ATOM 0 HE3 LYS A 549 27.530 -7.618 -0.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 549 25.525 -8.441 -1.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 549 25.967 -9.447 -0.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 549 24.683 -8.350 0.062 1.00 0.00 H new ATOM 256 N TYR A 550 27.106 -7.437 6.518 1.00 0.00 N ATOM 257 CA TYR A 550 27.511 -7.739 7.893 1.00 0.00 C ATOM 258 C TYR A 550 27.781 -9.238 8.108 1.00 0.00 C ATOM 259 O TYR A 550 27.392 -10.093 7.305 1.00 0.00 O ATOM 260 CB TYR A 550 26.452 -7.239 8.896 1.00 0.00 C ATOM 261 CG TYR A 550 25.076 -7.871 8.766 1.00 0.00 C ATOM 262 CD1 TYR A 550 24.078 -7.212 8.017 1.00 0.00 C ATOM 263 CD2 TYR A 550 24.791 -9.090 9.408 1.00 0.00 C ATOM 264 CE1 TYR A 550 22.797 -7.785 7.903 1.00 0.00 C ATOM 265 CE2 TYR A 550 23.512 -9.669 9.294 1.00 0.00 C ATOM 266 CZ TYR A 550 22.513 -9.022 8.535 1.00 0.00 C ATOM 267 OH TYR A 550 21.282 -9.587 8.395 1.00 0.00 O ATOM 0 H TYR A 550 26.701 -8.238 6.034 1.00 0.00 H new ATOM 0 HA TYR A 550 28.448 -7.211 8.069 1.00 0.00 H new ATOM 0 HB2 TYR A 550 26.821 -7.418 9.906 1.00 0.00 H new ATOM 0 HB3 TYR A 550 26.349 -6.160 8.781 1.00 0.00 H new ATOM 0 HD1 TYR A 550 24.296 -6.271 7.533 1.00 0.00 H new ATOM 0 HD2 TYR A 550 25.555 -9.583 9.990 1.00 0.00 H new ATOM 0 HE1 TYR A 550 22.030 -7.282 7.333 1.00 0.00 H new ATOM 0 HE2 TYR A 550 23.296 -10.606 9.786 1.00 0.00 H new ATOM 0 HH TYR A 550 21.252 -10.433 8.889 1.00 0.00 H new ATOM 277 N VAL A 551 28.414 -9.543 9.240 1.00 0.00 N ATOM 278 CA VAL A 551 28.603 -10.894 9.797 1.00 0.00 C ATOM 279 C VAL A 551 28.168 -10.900 11.271 1.00 0.00 C ATOM 280 O VAL A 551 28.389 -9.923 11.980 1.00 0.00 O ATOM 281 CB VAL A 551 30.050 -11.398 9.609 1.00 0.00 C ATOM 282 CG1 VAL A 551 30.336 -11.739 8.143 1.00 0.00 C ATOM 283 CG2 VAL A 551 31.122 -10.427 10.105 1.00 0.00 C ATOM 0 H VAL A 551 28.832 -8.822 9.828 1.00 0.00 H new ATOM 0 HA VAL A 551 27.974 -11.595 9.248 1.00 0.00 H new ATOM 0 HB VAL A 551 30.110 -12.293 10.228 1.00 0.00 H new ATOM 0 HG11 VAL A 551 31.363 -12.091 8.045 1.00 0.00 H new ATOM 0 HG12 VAL A 551 29.652 -12.520 7.811 1.00 0.00 H new ATOM 0 HG13 VAL A 551 30.197 -10.849 7.529 1.00 0.00 H new ATOM 0 HG21 VAL A 551 32.109 -10.857 9.936 1.00 0.00 H new ATOM 0 HG22 VAL A 551 31.039 -9.485 9.563 1.00 0.00 H new ATOM 0 HG23 VAL A 551 30.983 -10.245 11.171 1.00 0.00 H new ATOM 293 N VAL A 552 27.502 -11.959 11.741 1.00 0.00 N ATOM 294 CA VAL A 552 26.988 -12.035 13.128 1.00 0.00 C ATOM 295 C VAL A 552 28.151 -12.205 14.109 1.00 0.00 C ATOM 296 O VAL A 552 28.979 -13.102 13.942 1.00 0.00 O ATOM 297 CB VAL A 552 25.908 -13.135 13.278 1.00 0.00 C ATOM 298 CG1 VAL A 552 25.532 -13.466 14.723 1.00 0.00 C ATOM 299 CG2 VAL A 552 24.623 -12.758 12.531 1.00 0.00 C ATOM 0 H VAL A 552 27.301 -12.787 11.181 1.00 0.00 H new ATOM 0 HA VAL A 552 26.489 -11.097 13.370 1.00 0.00 H new ATOM 0 HB VAL A 552 26.371 -14.022 12.845 1.00 0.00 H new ATOM 0 HG11 VAL A 552 24.770 -14.246 14.731 1.00 0.00 H new ATOM 0 HG12 VAL A 552 26.415 -13.816 15.258 1.00 0.00 H new ATOM 0 HG13 VAL A 552 25.142 -12.573 15.211 1.00 0.00 H new ATOM 0 HG21 VAL A 552 23.884 -13.550 12.655 1.00 0.00 H new ATOM 0 HG22 VAL A 552 24.227 -11.826 12.935 1.00 0.00 H new ATOM 0 HG23 VAL A 552 24.843 -12.630 11.471 1.00 0.00 H new ATOM 309 N VAL A 553 28.212 -11.363 15.145 1.00 0.00 N ATOM 310 CA VAL A 553 29.150 -11.513 16.265 1.00 0.00 C ATOM 311 C VAL A 553 28.603 -12.571 17.238 1.00 0.00 C ATOM 312 O VAL A 553 27.450 -12.445 17.667 1.00 0.00 O ATOM 313 CB VAL A 553 29.409 -10.184 17.016 1.00 0.00 C ATOM 314 CG1 VAL A 553 30.660 -10.338 17.880 1.00 0.00 C ATOM 315 CG2 VAL A 553 29.597 -8.977 16.098 1.00 0.00 C ATOM 0 H VAL A 553 27.605 -10.548 15.232 1.00 0.00 H new ATOM 0 HA VAL A 553 30.109 -11.829 15.853 1.00 0.00 H new ATOM 0 HB VAL A 553 28.519 -9.989 17.614 1.00 0.00 H new ATOM 0 HG11 VAL A 553 30.851 -9.407 18.413 1.00 0.00 H new ATOM 0 HG12 VAL A 553 30.509 -11.143 18.599 1.00 0.00 H new ATOM 0 HG13 VAL A 553 31.514 -10.574 17.245 1.00 0.00 H new ATOM 0 HG21 VAL A 553 29.774 -8.086 16.700 1.00 0.00 H new ATOM 0 HG22 VAL A 553 30.451 -9.148 15.443 1.00 0.00 H new ATOM 0 HG23 VAL A 553 28.700 -8.835 15.495 1.00 0.00 H new ATOM 325 N PRO A 554 29.367 -13.617 17.602 1.00 0.00 N ATOM 326 CA PRO A 554 28.888 -14.674 18.487 1.00 0.00 C ATOM 327 C PRO A 554 28.629 -14.165 19.915 1.00 0.00 C ATOM 328 O PRO A 554 29.390 -13.348 20.438 1.00 0.00 O ATOM 329 CB PRO A 554 29.990 -15.742 18.471 1.00 0.00 C ATOM 330 CG PRO A 554 31.254 -14.948 18.164 1.00 0.00 C ATOM 331 CD PRO A 554 30.748 -13.873 17.211 1.00 0.00 C ATOM 0 HA PRO A 554 27.930 -15.066 18.147 1.00 0.00 H new ATOM 0 HB2 PRO A 554 30.063 -16.257 19.429 1.00 0.00 H new ATOM 0 HB3 PRO A 554 29.800 -16.503 17.714 1.00 0.00 H new ATOM 0 HG2 PRO A 554 31.691 -14.518 19.065 1.00 0.00 H new ATOM 0 HG3 PRO A 554 32.021 -15.570 17.703 1.00 0.00 H new ATOM 0 HD2 PRO A 554 31.350 -12.968 17.287 1.00 0.00 H new ATOM 0 HD3 PRO A 554 30.806 -14.209 16.176 1.00 0.00 H new ATOM 339 N GLU A 555 27.607 -14.709 20.582 1.00 0.00 N ATOM 340 CA GLU A 555 27.283 -14.391 21.985 1.00 0.00 C ATOM 341 C GLU A 555 28.395 -14.792 22.980 1.00 0.00 C ATOM 342 O GLU A 555 28.449 -14.286 24.101 1.00 0.00 O ATOM 343 CB GLU A 555 25.935 -15.025 22.371 1.00 0.00 C ATOM 344 CG GLU A 555 25.961 -16.561 22.444 1.00 0.00 C ATOM 345 CD GLU A 555 24.570 -17.173 22.720 1.00 0.00 C ATOM 346 OE1 GLU A 555 23.806 -16.650 23.572 1.00 0.00 O ATOM 347 OE2 GLU A 555 24.239 -18.219 22.106 1.00 0.00 O ATOM 0 H GLU A 555 26.973 -15.389 20.164 1.00 0.00 H new ATOM 0 HA GLU A 555 27.205 -13.306 22.054 1.00 0.00 H new ATOM 0 HB2 GLU A 555 25.624 -14.631 23.339 1.00 0.00 H new ATOM 0 HB3 GLU A 555 25.181 -14.719 21.646 1.00 0.00 H new ATOM 0 HG2 GLU A 555 26.347 -16.958 21.505 1.00 0.00 H new ATOM 0 HG3 GLU A 555 26.651 -16.871 23.229 1.00 0.00 H new ATOM 354 N THR A 556 29.316 -15.660 22.555 1.00 0.00 N ATOM 355 CA THR A 556 30.540 -16.031 23.284 1.00 0.00 C ATOM 356 C THR A 556 31.513 -14.851 23.412 1.00 0.00 C ATOM 357 O THR A 556 32.231 -14.752 24.410 1.00 0.00 O ATOM 358 CB THR A 556 31.243 -17.204 22.579 1.00 0.00 C ATOM 359 OG1 THR A 556 30.314 -18.220 22.257 1.00 0.00 O ATOM 360 CG2 THR A 556 32.370 -17.845 23.387 1.00 0.00 C ATOM 0 H THR A 556 29.230 -16.144 21.661 1.00 0.00 H new ATOM 0 HA THR A 556 30.240 -16.329 24.289 1.00 0.00 H new ATOM 0 HB THR A 556 31.685 -16.762 21.686 1.00 0.00 H new ATOM 0 HG1 THR A 556 30.778 -18.957 21.808 1.00 0.00 H new ATOM 0 HG21 THR A 556 32.809 -18.662 22.814 1.00 0.00 H new ATOM 0 HG22 THR A 556 33.135 -17.099 23.599 1.00 0.00 H new ATOM 0 HG23 THR A 556 31.971 -18.232 24.324 1.00 0.00 H new ATOM 368 N SER A 557 31.532 -13.929 22.437 1.00 0.00 N ATOM 369 CA SER A 557 32.329 -12.694 22.514 1.00 0.00 C ATOM 370 C SER A 557 31.624 -11.614 23.352 1.00 0.00 C ATOM 371 O SER A 557 30.450 -11.310 23.141 1.00 0.00 O ATOM 372 CB SER A 557 32.625 -12.139 21.119 1.00 0.00 C ATOM 373 OG SER A 557 33.489 -11.025 21.228 1.00 0.00 O ATOM 0 H SER A 557 30.996 -14.018 21.574 1.00 0.00 H new ATOM 0 HA SER A 557 33.268 -12.957 23.002 1.00 0.00 H new ATOM 0 HB2 SER A 557 33.084 -12.909 20.499 1.00 0.00 H new ATOM 0 HB3 SER A 557 31.697 -11.846 20.628 1.00 0.00 H new ATOM 0 HG SER A 557 33.680 -10.671 20.335 1.00 0.00 H new ATOM 379 N GLN A 558 32.350 -11.014 24.297 1.00 0.00 N ATOM 380 CA GLN A 558 31.956 -9.819 25.048 1.00 0.00 C ATOM 381 C GLN A 558 32.650 -8.543 24.521 1.00 0.00 C ATOM 382 O GLN A 558 32.114 -7.442 24.655 1.00 0.00 O ATOM 383 CB GLN A 558 32.130 -10.078 26.551 1.00 0.00 C ATOM 384 CG GLN A 558 33.549 -9.883 27.083 1.00 0.00 C ATOM 385 CD GLN A 558 34.525 -11.004 26.714 1.00 0.00 C ATOM 386 OE1 GLN A 558 34.857 -11.233 25.555 1.00 0.00 O ATOM 387 NE2 GLN A 558 35.028 -11.752 27.677 1.00 0.00 N ATOM 0 H GLN A 558 33.268 -11.362 24.572 1.00 0.00 H new ATOM 0 HA GLN A 558 30.897 -9.617 24.888 1.00 0.00 H new ATOM 0 HB2 GLN A 558 31.459 -9.415 27.098 1.00 0.00 H new ATOM 0 HB3 GLN A 558 31.815 -11.099 26.767 1.00 0.00 H new ATOM 0 HG2 GLN A 558 33.939 -8.939 26.703 1.00 0.00 H new ATOM 0 HG3 GLN A 558 33.508 -9.797 28.169 1.00 0.00 H new ATOM 0 HE21 GLN A 558 34.765 -11.579 28.647 1.00 0.00 H new ATOM 0 HE22 GLN A 558 35.680 -12.504 27.451 1.00 0.00 H new ATOM 396 N ASP A 559 33.827 -8.689 23.897 1.00 0.00 N ATOM 397 CA ASP A 559 34.612 -7.583 23.335 1.00 0.00 C ATOM 398 C ASP A 559 34.057 -7.076 21.988 1.00 0.00 C ATOM 399 O ASP A 559 34.048 -5.862 21.749 1.00 0.00 O ATOM 400 CB ASP A 559 36.079 -8.019 23.157 1.00 0.00 C ATOM 401 CG ASP A 559 36.846 -8.341 24.458 1.00 0.00 C ATOM 402 OD1 ASP A 559 37.909 -9.006 24.363 1.00 0.00 O ATOM 403 OD2 ASP A 559 36.452 -7.886 25.556 1.00 0.00 O ATOM 0 H ASP A 559 34.269 -9.599 23.766 1.00 0.00 H new ATOM 0 HA ASP A 559 34.545 -6.757 24.043 1.00 0.00 H new ATOM 0 HB2 ASP A 559 36.101 -8.901 22.517 1.00 0.00 H new ATOM 0 HB3 ASP A 559 36.612 -7.228 22.629 1.00 0.00 H new ATOM 408 N MET A 560 33.571 -7.987 21.132 1.00 0.00 N ATOM 409 CA MET A 560 32.915 -7.695 19.852 1.00 0.00 C ATOM 410 C MET A 560 33.696 -6.757 18.917 1.00 0.00 C ATOM 411 O MET A 560 33.102 -5.939 18.221 1.00 0.00 O ATOM 412 CB MET A 560 31.454 -7.259 20.078 1.00 0.00 C ATOM 413 CG MET A 560 30.648 -8.293 20.869 1.00 0.00 C ATOM 414 SD MET A 560 28.887 -8.264 20.450 1.00 0.00 S ATOM 415 CE MET A 560 28.399 -9.907 21.033 1.00 0.00 C ATOM 0 H MET A 560 33.627 -8.988 21.322 1.00 0.00 H new ATOM 0 HA MET A 560 32.905 -8.633 19.297 1.00 0.00 H new ATOM 0 HB2 MET A 560 31.440 -6.308 20.611 1.00 0.00 H new ATOM 0 HB3 MET A 560 30.975 -7.091 19.113 1.00 0.00 H new ATOM 0 HG2 MET A 560 31.049 -9.288 20.674 1.00 0.00 H new ATOM 0 HG3 MET A 560 30.768 -8.104 21.936 1.00 0.00 H new ATOM 0 HE1 MET A 560 27.571 -10.277 20.428 1.00 0.00 H new ATOM 0 HE2 MET A 560 29.245 -10.590 20.947 1.00 0.00 H new ATOM 0 HE3 MET A 560 28.087 -9.845 22.076 1.00 0.00 H new ATOM 425 N ALA A 561 35.028 -6.855 18.893 1.00 0.00 N ATOM 426 CA ALA A 561 35.906 -5.950 18.154 1.00 0.00 C ATOM 427 C ALA A 561 36.968 -6.665 17.299 1.00 0.00 C ATOM 428 O ALA A 561 37.491 -7.718 17.686 1.00 0.00 O ATOM 429 CB ALA A 561 36.535 -4.953 19.142 1.00 0.00 C ATOM 0 H ALA A 561 35.535 -7.582 19.398 1.00 0.00 H new ATOM 0 HA ALA A 561 35.295 -5.416 17.427 1.00 0.00 H new ATOM 0 HB1 ALA A 561 37.193 -4.272 18.602 1.00 0.00 H new ATOM 0 HB2 ALA A 561 35.747 -4.383 19.634 1.00 0.00 H new ATOM 0 HB3 ALA A 561 37.111 -5.497 19.890 1.00 0.00 H new ATOM 435 N PHE A 562 37.307 -6.065 16.154 1.00 0.00 N ATOM 436 CA PHE A 562 38.388 -6.490 15.246 1.00 0.00 C ATOM 437 C PHE A 562 38.912 -5.286 14.433 1.00 0.00 C ATOM 438 O PHE A 562 38.409 -4.175 14.604 1.00 0.00 O ATOM 439 CB PHE A 562 37.877 -7.630 14.343 1.00 0.00 C ATOM 440 CG PHE A 562 38.964 -8.624 13.984 1.00 0.00 C ATOM 441 CD1 PHE A 562 39.688 -8.500 12.785 1.00 0.00 C ATOM 442 CD2 PHE A 562 39.277 -9.664 14.880 1.00 0.00 C ATOM 443 CE1 PHE A 562 40.732 -9.396 12.499 1.00 0.00 C ATOM 444 CE2 PHE A 562 40.311 -10.573 14.587 1.00 0.00 C ATOM 445 CZ PHE A 562 41.042 -10.435 13.393 1.00 0.00 C ATOM 0 H PHE A 562 36.819 -5.236 15.816 1.00 0.00 H new ATOM 0 HA PHE A 562 39.231 -6.871 15.823 1.00 0.00 H new ATOM 0 HB2 PHE A 562 37.065 -8.153 14.849 1.00 0.00 H new ATOM 0 HB3 PHE A 562 37.462 -7.206 13.429 1.00 0.00 H new ATOM 0 HD1 PHE A 562 39.442 -7.716 12.084 1.00 0.00 H new ATOM 0 HD2 PHE A 562 38.719 -9.765 15.799 1.00 0.00 H new ATOM 0 HE1 PHE A 562 41.299 -9.286 11.587 1.00 0.00 H new ATOM 0 HE2 PHE A 562 40.542 -11.372 15.275 1.00 0.00 H new ATOM 0 HZ PHE A 562 41.840 -11.126 13.164 1.00 0.00 H new ATOM 455 N LYS A 563 39.907 -5.466 13.551 1.00 0.00 N ATOM 456 CA LYS A 563 40.490 -4.391 12.715 1.00 0.00 C ATOM 457 C LYS A 563 40.687 -4.809 11.249 1.00 0.00 C ATOM 458 O LYS A 563 41.153 -5.916 10.977 1.00 0.00 O ATOM 459 CB LYS A 563 41.810 -3.927 13.370 1.00 0.00 C ATOM 460 CG LYS A 563 42.343 -2.598 12.810 1.00 0.00 C ATOM 461 CD LYS A 563 43.710 -2.211 13.396 1.00 0.00 C ATOM 462 CE LYS A 563 43.709 -1.926 14.907 1.00 0.00 C ATOM 463 NZ LYS A 563 42.961 -0.685 15.252 1.00 0.00 N ATOM 0 H LYS A 563 40.340 -6.376 13.392 1.00 0.00 H new ATOM 0 HA LYS A 563 39.787 -3.559 12.674 1.00 0.00 H new ATOM 0 HB2 LYS A 563 41.656 -3.823 14.444 1.00 0.00 H new ATOM 0 HB3 LYS A 563 42.566 -4.700 13.230 1.00 0.00 H new ATOM 0 HG2 LYS A 563 42.426 -2.673 11.726 1.00 0.00 H new ATOM 0 HG3 LYS A 563 41.625 -1.806 13.021 1.00 0.00 H new ATOM 0 HD2 LYS A 563 44.417 -3.015 13.193 1.00 0.00 H new ATOM 0 HD3 LYS A 563 44.075 -1.326 12.874 1.00 0.00 H new ATOM 0 HE2 LYS A 563 43.266 -2.772 15.433 1.00 0.00 H new ATOM 0 HE3 LYS A 563 44.737 -1.836 15.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 43.330 -0.293 16.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 43.078 0.014 14.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 41.951 -0.908 15.364 1.00 0.00 H new ATOM 477 N CYS A 564 40.365 -3.908 10.319 1.00 0.00 N ATOM 478 CA CYS A 564 40.649 -4.001 8.893 1.00 0.00 C ATOM 479 C CYS A 564 42.154 -3.805 8.637 1.00 0.00 C ATOM 480 O CYS A 564 42.642 -2.701 8.901 1.00 0.00 O ATOM 481 CB CYS A 564 39.891 -2.883 8.177 1.00 0.00 C ATOM 482 SG CYS A 564 39.956 -3.126 6.369 1.00 0.00 S ATOM 0 H CYS A 564 39.872 -3.048 10.558 1.00 0.00 H new ATOM 0 HA CYS A 564 40.344 -4.981 8.527 1.00 0.00 H new ATOM 0 HB2 CYS A 564 38.854 -2.867 8.511 1.00 0.00 H new ATOM 0 HB3 CYS A 564 40.325 -1.917 8.436 1.00 0.00 H new ATOM 487 N PRO A 565 42.893 -4.798 8.107 1.00 0.00 N ATOM 488 CA PRO A 565 44.311 -4.641 7.769 1.00 0.00 C ATOM 489 C PRO A 565 44.555 -3.767 6.521 1.00 0.00 C ATOM 490 O PRO A 565 45.677 -3.290 6.333 1.00 0.00 O ATOM 491 CB PRO A 565 44.809 -6.074 7.543 1.00 0.00 C ATOM 492 CG PRO A 565 43.570 -6.781 6.990 1.00 0.00 C ATOM 493 CD PRO A 565 42.445 -6.151 7.802 1.00 0.00 C ATOM 0 HA PRO A 565 44.842 -4.120 8.565 1.00 0.00 H new ATOM 0 HB2 PRO A 565 45.641 -6.107 6.840 1.00 0.00 H new ATOM 0 HB3 PRO A 565 45.156 -6.532 8.469 1.00 0.00 H new ATOM 0 HG2 PRO A 565 43.446 -6.607 5.921 1.00 0.00 H new ATOM 0 HG3 PRO A 565 43.620 -7.860 7.134 1.00 0.00 H new ATOM 0 HD2 PRO A 565 41.513 -6.137 7.236 1.00 0.00 H new ATOM 0 HD3 PRO A 565 42.256 -6.716 8.714 1.00 0.00 H new ATOM 501 N ILE A 566 43.548 -3.532 5.663 1.00 0.00 N ATOM 502 CA ILE A 566 43.681 -2.737 4.425 1.00 0.00 C ATOM 503 C ILE A 566 43.809 -1.238 4.745 1.00 0.00 C ATOM 504 O ILE A 566 44.788 -0.598 4.349 1.00 0.00 O ATOM 505 CB ILE A 566 42.505 -2.999 3.454 1.00 0.00 C ATOM 506 CG1 ILE A 566 42.497 -4.471 2.978 1.00 0.00 C ATOM 507 CG2 ILE A 566 42.568 -2.053 2.237 1.00 0.00 C ATOM 508 CD1 ILE A 566 41.198 -4.903 2.280 1.00 0.00 C ATOM 0 H ILE A 566 42.605 -3.893 5.809 1.00 0.00 H new ATOM 0 HA ILE A 566 44.596 -3.056 3.926 1.00 0.00 H new ATOM 0 HB ILE A 566 41.581 -2.803 3.999 1.00 0.00 H new ATOM 0 HG12 ILE A 566 43.332 -4.624 2.294 1.00 0.00 H new ATOM 0 HG13 ILE A 566 42.667 -5.119 3.838 1.00 0.00 H new ATOM 0 HG21 ILE A 566 41.730 -2.260 1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 566 42.515 -1.019 2.577 1.00 0.00 H new ATOM 0 HG23 ILE A 566 43.504 -2.211 1.701 1.00 0.00 H new ATOM 0 HD11 ILE A 566 41.277 -5.948 1.979 1.00 0.00 H new ATOM 0 HD12 ILE A 566 40.360 -4.786 2.967 1.00 0.00 H new ATOM 0 HD13 ILE A 566 41.035 -4.283 1.399 1.00 0.00 H new ATOM 520 N CYS A 567 42.843 -0.687 5.488 1.00 0.00 N ATOM 521 CA CYS A 567 42.795 0.724 5.874 1.00 0.00 C ATOM 522 C CYS A 567 43.212 0.977 7.348 1.00 0.00 C ATOM 523 O CYS A 567 43.186 2.122 7.809 1.00 0.00 O ATOM 524 CB CYS A 567 41.414 1.292 5.506 1.00 0.00 C ATOM 525 SG CYS A 567 40.117 0.724 6.640 1.00 0.00 S ATOM 0 H CYS A 567 42.054 -1.225 5.846 1.00 0.00 H new ATOM 0 HA CYS A 567 43.550 1.271 5.309 1.00 0.00 H new ATOM 0 HB2 CYS A 567 41.455 2.381 5.520 1.00 0.00 H new ATOM 0 HB3 CYS A 567 41.160 0.996 4.488 1.00 0.00 H new ATOM 530 N LYS A 568 43.614 -0.083 8.067 1.00 0.00 N ATOM 531 CA LYS A 568 44.010 -0.096 9.497 1.00 0.00 C ATOM 532 C LYS A 568 42.928 0.461 10.442 1.00 0.00 C ATOM 533 O LYS A 568 43.242 1.212 11.365 1.00 0.00 O ATOM 534 CB LYS A 568 45.460 0.400 9.723 1.00 0.00 C ATOM 535 CG LYS A 568 45.779 1.855 9.340 1.00 0.00 C ATOM 536 CD LYS A 568 47.208 2.239 9.753 1.00 0.00 C ATOM 537 CE LYS A 568 47.513 3.683 9.329 1.00 0.00 C ATOM 538 NZ LYS A 568 48.906 4.072 9.678 1.00 0.00 N ATOM 0 H LYS A 568 43.677 -1.011 7.648 1.00 0.00 H new ATOM 0 HA LYS A 568 44.060 -1.140 9.806 1.00 0.00 H new ATOM 0 HB2 LYS A 568 45.700 0.269 10.778 1.00 0.00 H new ATOM 0 HB3 LYS A 568 46.130 -0.251 9.161 1.00 0.00 H new ATOM 0 HG2 LYS A 568 45.662 1.984 8.264 1.00 0.00 H new ATOM 0 HG3 LYS A 568 45.066 2.525 9.821 1.00 0.00 H new ATOM 0 HD2 LYS A 568 47.322 2.137 10.832 1.00 0.00 H new ATOM 0 HD3 LYS A 568 47.923 1.558 9.291 1.00 0.00 H new ATOM 0 HE2 LYS A 568 47.364 3.787 8.254 1.00 0.00 H new ATOM 0 HE3 LYS A 568 46.812 4.362 9.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 49.078 5.053 9.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 49.040 3.996 10.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 49.575 3.439 9.194 1.00 0.00 H new ATOM 552 N GLU A 569 41.652 0.096 10.231 1.00 0.00 N ATOM 553 CA GLU A 569 40.520 0.661 11.005 1.00 0.00 C ATOM 554 C GLU A 569 39.709 -0.366 11.799 1.00 0.00 C ATOM 555 O GLU A 569 39.388 -1.440 11.298 1.00 0.00 O ATOM 556 CB GLU A 569 39.562 1.454 10.104 1.00 0.00 C ATOM 557 CG GLU A 569 40.074 2.815 9.621 1.00 0.00 C ATOM 558 CD GLU A 569 40.418 3.817 10.752 1.00 0.00 C ATOM 559 OE1 GLU A 569 41.240 4.735 10.517 1.00 0.00 O ATOM 560 OE2 GLU A 569 39.849 3.732 11.870 1.00 0.00 O ATOM 0 H GLU A 569 41.372 -0.590 9.530 1.00 0.00 H new ATOM 0 HA GLU A 569 41.000 1.319 11.730 1.00 0.00 H new ATOM 0 HB2 GLU A 569 39.326 0.845 9.231 1.00 0.00 H new ATOM 0 HB3 GLU A 569 38.629 1.609 10.646 1.00 0.00 H new ATOM 0 HG2 GLU A 569 40.963 2.657 9.011 1.00 0.00 H new ATOM 0 HG3 GLU A 569 39.319 3.263 8.975 1.00 0.00 H new ATOM 567 N THR A 570 39.350 -0.014 13.036 1.00 0.00 N ATOM 568 CA THR A 570 38.601 -0.876 13.970 1.00 0.00 C ATOM 569 C THR A 570 37.111 -1.006 13.605 1.00 0.00 C ATOM 570 O THR A 570 36.458 -0.021 13.250 1.00 0.00 O ATOM 571 CB THR A 570 38.762 -0.350 15.408 1.00 0.00 C ATOM 572 OG1 THR A 570 40.139 -0.248 15.724 1.00 0.00 O ATOM 573 CG2 THR A 570 38.139 -1.240 16.486 1.00 0.00 C ATOM 0 H THR A 570 39.575 0.899 13.431 1.00 0.00 H new ATOM 0 HA THR A 570 39.024 -1.878 13.894 1.00 0.00 H new ATOM 0 HB THR A 570 38.243 0.609 15.415 1.00 0.00 H new ATOM 0 HG1 THR A 570 40.241 0.088 16.639 1.00 0.00 H new ATOM 0 HG21 THR A 570 38.301 -0.792 17.466 1.00 0.00 H new ATOM 0 HG22 THR A 570 37.069 -1.337 16.304 1.00 0.00 H new ATOM 0 HG23 THR A 570 38.603 -2.226 16.457 1.00 0.00 H new ATOM 581 N VAL A 571 36.556 -2.212 13.758 1.00 0.00 N ATOM 582 CA VAL A 571 35.121 -2.531 13.696 1.00 0.00 C ATOM 583 C VAL A 571 34.614 -3.017 15.049 1.00 0.00 C ATOM 584 O VAL A 571 35.322 -3.715 15.771 1.00 0.00 O ATOM 585 CB VAL A 571 34.763 -3.582 12.630 1.00 0.00 C ATOM 586 CG1 VAL A 571 34.551 -2.932 11.267 1.00 0.00 C ATOM 587 CG2 VAL A 571 35.781 -4.719 12.514 1.00 0.00 C ATOM 0 H VAL A 571 37.125 -3.039 13.938 1.00 0.00 H new ATOM 0 HA VAL A 571 34.633 -1.598 13.414 1.00 0.00 H new ATOM 0 HB VAL A 571 33.831 -4.032 12.971 1.00 0.00 H new ATOM 0 HG11 VAL A 571 34.299 -3.698 10.534 1.00 0.00 H new ATOM 0 HG12 VAL A 571 33.737 -2.210 11.331 1.00 0.00 H new ATOM 0 HG13 VAL A 571 35.465 -2.423 10.961 1.00 0.00 H new ATOM 0 HG21 VAL A 571 35.459 -5.419 11.743 1.00 0.00 H new ATOM 0 HG22 VAL A 571 36.755 -4.309 12.248 1.00 0.00 H new ATOM 0 HG23 VAL A 571 35.855 -5.240 13.468 1.00 0.00 H new ATOM 597 N THR A 572 33.362 -2.675 15.367 1.00 0.00 N ATOM 598 CA THR A 572 32.679 -3.066 16.611 1.00 0.00 C ATOM 599 C THR A 572 31.262 -3.593 16.342 1.00 0.00 C ATOM 600 O THR A 572 30.557 -3.088 15.464 1.00 0.00 O ATOM 601 CB THR A 572 32.637 -1.916 17.635 1.00 0.00 C ATOM 602 OG1 THR A 572 32.057 -0.752 17.094 1.00 0.00 O ATOM 603 CG2 THR A 572 34.033 -1.544 18.145 1.00 0.00 C ATOM 0 H THR A 572 32.779 -2.105 14.754 1.00 0.00 H new ATOM 0 HA THR A 572 33.268 -3.876 17.042 1.00 0.00 H new ATOM 0 HB THR A 572 32.030 -2.288 18.460 1.00 0.00 H new ATOM 0 HG1 THR A 572 32.046 -0.046 17.773 1.00 0.00 H new ATOM 0 HG21 THR A 572 33.952 -0.729 18.864 1.00 0.00 H new ATOM 0 HG22 THR A 572 34.487 -2.410 18.627 1.00 0.00 H new ATOM 0 HG23 THR A 572 34.654 -1.228 17.307 1.00 0.00 H new ATOM 611 N GLY A 573 30.845 -4.626 17.078 1.00 0.00 N ATOM 612 CA GLY A 573 29.529 -5.263 16.954 1.00 0.00 C ATOM 613 C GLY A 573 28.374 -4.391 17.462 1.00 0.00 C ATOM 614 O GLY A 573 28.528 -3.636 18.430 1.00 0.00 O ATOM 0 H GLY A 573 31.428 -5.055 17.796 1.00 0.00 H new ATOM 0 HA2 GLY A 573 29.352 -5.512 15.908 1.00 0.00 H new ATOM 0 HA3 GLY A 573 29.535 -6.202 17.508 1.00 0.00 H new ATOM 618 N VAL A 574 27.204 -4.526 16.830 1.00 0.00 N ATOM 619 CA VAL A 574 25.968 -3.782 17.152 1.00 0.00 C ATOM 620 C VAL A 574 24.774 -4.732 17.302 1.00 0.00 C ATOM 621 O VAL A 574 24.678 -5.702 16.561 1.00 0.00 O ATOM 622 CB VAL A 574 25.693 -2.698 16.084 1.00 0.00 C ATOM 623 CG1 VAL A 574 24.406 -1.902 16.364 1.00 0.00 C ATOM 624 CG2 VAL A 574 26.836 -1.680 15.986 1.00 0.00 C ATOM 0 H VAL A 574 27.080 -5.176 16.054 1.00 0.00 H new ATOM 0 HA VAL A 574 26.110 -3.283 18.111 1.00 0.00 H new ATOM 0 HB VAL A 574 25.593 -3.252 15.151 1.00 0.00 H new ATOM 0 HG11 VAL A 574 24.263 -1.155 15.583 1.00 0.00 H new ATOM 0 HG12 VAL A 574 23.554 -2.581 16.377 1.00 0.00 H new ATOM 0 HG13 VAL A 574 24.489 -1.405 17.330 1.00 0.00 H new ATOM 0 HG21 VAL A 574 26.598 -0.938 15.223 1.00 0.00 H new ATOM 0 HG22 VAL A 574 26.964 -1.183 16.948 1.00 0.00 H new ATOM 0 HG23 VAL A 574 27.759 -2.194 15.717 1.00 0.00 H new ATOM 634 N TYR A 575 23.867 -4.478 18.250 1.00 0.00 N ATOM 635 CA TYR A 575 22.734 -5.361 18.542 1.00 0.00 C ATOM 636 C TYR A 575 21.730 -5.450 17.372 1.00 0.00 C ATOM 637 O TYR A 575 21.276 -4.441 16.826 1.00 0.00 O ATOM 638 CB TYR A 575 22.054 -4.896 19.840 1.00 0.00 C ATOM 639 CG TYR A 575 20.902 -5.767 20.303 1.00 0.00 C ATOM 640 CD1 TYR A 575 19.592 -5.255 20.341 1.00 0.00 C ATOM 641 CD2 TYR A 575 21.137 -7.094 20.721 1.00 0.00 C ATOM 642 CE1 TYR A 575 18.525 -6.068 20.795 1.00 0.00 C ATOM 643 CE2 TYR A 575 20.081 -7.915 21.158 1.00 0.00 C ATOM 644 CZ TYR A 575 18.769 -7.401 21.194 1.00 0.00 C ATOM 645 OH TYR A 575 17.749 -8.190 21.630 1.00 0.00 O ATOM 0 H TYR A 575 23.899 -3.647 18.841 1.00 0.00 H new ATOM 0 HA TYR A 575 23.116 -6.373 18.676 1.00 0.00 H new ATOM 0 HB2 TYR A 575 22.802 -4.857 20.632 1.00 0.00 H new ATOM 0 HB3 TYR A 575 21.688 -3.879 19.697 1.00 0.00 H new ATOM 0 HD1 TYR A 575 19.400 -4.241 20.024 1.00 0.00 H new ATOM 0 HD2 TYR A 575 22.143 -7.486 20.705 1.00 0.00 H new ATOM 0 HE1 TYR A 575 17.523 -5.668 20.836 1.00 0.00 H new ATOM 0 HE2 TYR A 575 20.275 -8.933 21.464 1.00 0.00 H new ATOM 0 HH TYR A 575 18.097 -9.076 21.862 1.00 0.00 H new ATOM 655 N ASP A 576 21.365 -6.681 17.020 1.00 0.00 N ATOM 656 CA ASP A 576 20.346 -7.043 16.036 1.00 0.00 C ATOM 657 C ASP A 576 18.994 -7.327 16.708 1.00 0.00 C ATOM 658 O ASP A 576 18.771 -8.425 17.224 1.00 0.00 O ATOM 659 CB ASP A 576 20.823 -8.277 15.247 1.00 0.00 C ATOM 660 CG ASP A 576 19.861 -8.701 14.127 1.00 0.00 C ATOM 661 OD1 ASP A 576 18.980 -7.912 13.717 1.00 0.00 O ATOM 662 OD2 ASP A 576 19.993 -9.853 13.646 1.00 0.00 O ATOM 0 H ASP A 576 21.799 -7.503 17.440 1.00 0.00 H new ATOM 0 HA ASP A 576 20.202 -6.204 15.356 1.00 0.00 H new ATOM 0 HB2 ASP A 576 21.801 -8.065 14.814 1.00 0.00 H new ATOM 0 HB3 ASP A 576 20.954 -9.111 15.937 1.00 0.00 H new ATOM 667 N GLU A 577 18.095 -6.341 16.683 1.00 0.00 N ATOM 668 CA GLU A 577 16.742 -6.421 17.268 1.00 0.00 C ATOM 669 C GLU A 577 15.812 -7.433 16.562 1.00 0.00 C ATOM 670 O GLU A 577 14.829 -7.881 17.152 1.00 0.00 O ATOM 671 CB GLU A 577 16.085 -5.033 17.225 1.00 0.00 C ATOM 672 CG GLU A 577 16.822 -3.953 18.035 1.00 0.00 C ATOM 673 CD GLU A 577 16.055 -2.612 18.087 1.00 0.00 C ATOM 674 OE1 GLU A 577 15.487 -2.169 17.061 1.00 0.00 O ATOM 675 OE2 GLU A 577 16.031 -1.965 19.168 1.00 0.00 O ATOM 0 H GLU A 577 18.286 -5.439 16.246 1.00 0.00 H new ATOM 0 HA GLU A 577 16.873 -6.773 18.291 1.00 0.00 H new ATOM 0 HB2 GLU A 577 16.019 -4.708 16.187 1.00 0.00 H new ATOM 0 HB3 GLU A 577 15.064 -5.116 17.599 1.00 0.00 H new ATOM 0 HG2 GLU A 577 16.982 -4.314 19.051 1.00 0.00 H new ATOM 0 HG3 GLU A 577 17.806 -3.786 17.597 1.00 0.00 H new ATOM 682 N GLU A 578 16.077 -7.805 15.301 1.00 0.00 N ATOM 683 CA GLU A 578 15.220 -8.702 14.513 1.00 0.00 C ATOM 684 C GLU A 578 15.300 -10.172 14.971 1.00 0.00 C ATOM 685 O GLU A 578 14.293 -10.889 14.949 1.00 0.00 O ATOM 686 CB GLU A 578 15.584 -8.572 13.015 1.00 0.00 C ATOM 687 CG GLU A 578 14.617 -9.269 12.050 1.00 0.00 C ATOM 688 CD GLU A 578 13.160 -8.757 12.101 1.00 0.00 C ATOM 689 OE1 GLU A 578 12.232 -9.572 11.880 1.00 0.00 O ATOM 690 OE2 GLU A 578 12.918 -7.544 12.315 1.00 0.00 O ATOM 0 H GLU A 578 16.903 -7.487 14.794 1.00 0.00 H new ATOM 0 HA GLU A 578 14.187 -8.394 14.673 1.00 0.00 H new ATOM 0 HB2 GLU A 578 15.630 -7.514 12.758 1.00 0.00 H new ATOM 0 HB3 GLU A 578 16.583 -8.980 12.863 1.00 0.00 H new ATOM 0 HG2 GLU A 578 14.993 -9.149 11.034 1.00 0.00 H new ATOM 0 HG3 GLU A 578 14.618 -10.337 12.267 1.00 0.00 H new ATOM 697 N SER A 579 16.484 -10.604 15.413 1.00 0.00 N ATOM 698 CA SER A 579 16.766 -11.976 15.872 1.00 0.00 C ATOM 699 C SER A 579 17.338 -12.076 17.291 1.00 0.00 C ATOM 700 O SER A 579 17.331 -13.159 17.880 1.00 0.00 O ATOM 701 CB SER A 579 17.706 -12.678 14.884 1.00 0.00 C ATOM 702 OG SER A 579 17.115 -12.777 13.591 1.00 0.00 O ATOM 0 H SER A 579 17.300 -9.994 15.465 1.00 0.00 H new ATOM 0 HA SER A 579 15.797 -12.474 15.909 1.00 0.00 H new ATOM 0 HB2 SER A 579 18.644 -12.127 14.817 1.00 0.00 H new ATOM 0 HB3 SER A 579 17.948 -13.675 15.253 1.00 0.00 H new ATOM 0 HG SER A 579 17.736 -13.227 12.981 1.00 0.00 H new ATOM 708 N GLY A 580 17.780 -10.961 17.881 1.00 0.00 N ATOM 709 CA GLY A 580 18.278 -10.896 19.264 1.00 0.00 C ATOM 710 C GLY A 580 19.753 -11.285 19.393 1.00 0.00 C ATOM 711 O GLY A 580 20.153 -11.895 20.388 1.00 0.00 O ATOM 0 H GLY A 580 17.803 -10.060 17.404 1.00 0.00 H new ATOM 0 HA2 GLY A 580 18.141 -9.884 19.645 1.00 0.00 H new ATOM 0 HA3 GLY A 580 17.679 -11.557 19.891 1.00 0.00 H new ATOM 715 N GLU A 581 20.557 -10.974 18.367 1.00 0.00 N ATOM 716 CA GLU A 581 21.991 -11.291 18.289 1.00 0.00 C ATOM 717 C GLU A 581 22.801 -9.996 18.110 1.00 0.00 C ATOM 718 O GLU A 581 22.299 -8.912 18.401 1.00 0.00 O ATOM 719 CB GLU A 581 22.232 -12.315 17.161 1.00 0.00 C ATOM 720 CG GLU A 581 21.424 -13.606 17.363 1.00 0.00 C ATOM 721 CD GLU A 581 21.951 -14.753 16.483 1.00 0.00 C ATOM 722 OE1 GLU A 581 21.465 -14.925 15.338 1.00 0.00 O ATOM 723 OE2 GLU A 581 22.832 -15.522 16.941 1.00 0.00 O ATOM 0 H GLU A 581 20.217 -10.479 17.542 1.00 0.00 H new ATOM 0 HA GLU A 581 22.332 -11.751 19.217 1.00 0.00 H new ATOM 0 HB2 GLU A 581 21.964 -11.868 16.204 1.00 0.00 H new ATOM 0 HB3 GLU A 581 23.294 -12.557 17.114 1.00 0.00 H new ATOM 0 HG2 GLU A 581 21.468 -13.902 18.411 1.00 0.00 H new ATOM 0 HG3 GLU A 581 20.376 -13.420 17.128 1.00 0.00 H new ATOM 730 N TRP A 582 24.057 -10.078 17.673 1.00 0.00 N ATOM 731 CA TRP A 582 24.897 -8.917 17.371 1.00 0.00 C ATOM 732 C TRP A 582 25.531 -9.030 15.980 1.00 0.00 C ATOM 733 O TRP A 582 25.718 -10.131 15.476 1.00 0.00 O ATOM 734 CB TRP A 582 25.952 -8.774 18.471 1.00 0.00 C ATOM 735 CG TRP A 582 25.430 -8.439 19.835 1.00 0.00 C ATOM 736 CD1 TRP A 582 24.804 -9.306 20.665 1.00 0.00 C ATOM 737 CD2 TRP A 582 25.464 -7.162 20.549 1.00 0.00 C ATOM 738 NE1 TRP A 582 24.396 -8.650 21.803 1.00 0.00 N ATOM 739 CE2 TRP A 582 24.773 -7.327 21.792 1.00 0.00 C ATOM 740 CE3 TRP A 582 26.018 -5.893 20.287 1.00 0.00 C ATOM 741 CZ2 TRP A 582 24.608 -6.267 22.696 1.00 0.00 C ATOM 742 CZ3 TRP A 582 25.860 -4.823 21.191 1.00 0.00 C ATOM 743 CH2 TRP A 582 25.156 -5.010 22.396 1.00 0.00 C ATOM 0 H TRP A 582 24.529 -10.969 17.516 1.00 0.00 H new ATOM 0 HA TRP A 582 24.281 -8.018 17.351 1.00 0.00 H new ATOM 0 HB2 TRP A 582 26.511 -9.707 18.536 1.00 0.00 H new ATOM 0 HB3 TRP A 582 26.658 -7.999 18.172 1.00 0.00 H new ATOM 0 HD1 TRP A 582 24.648 -10.356 20.464 1.00 0.00 H new ATOM 0 HE1 TRP A 582 23.877 -9.091 22.563 1.00 0.00 H new ATOM 0 HE3 TRP A 582 26.575 -5.737 19.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 582 24.063 -6.417 23.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 582 26.281 -3.856 20.958 1.00 0.00 H new ATOM 0 HH2 TRP A 582 25.038 -4.189 23.087 1.00 0.00 H new ATOM 754 N VAL A 583 25.890 -7.914 15.342 1.00 0.00 N ATOM 755 CA VAL A 583 26.389 -7.861 13.955 1.00 0.00 C ATOM 756 C VAL A 583 27.554 -6.875 13.775 1.00 0.00 C ATOM 757 O VAL A 583 27.506 -5.732 14.224 1.00 0.00 O ATOM 758 CB VAL A 583 25.272 -7.568 12.934 1.00 0.00 C ATOM 759 CG1 VAL A 583 24.306 -8.751 12.802 1.00 0.00 C ATOM 760 CG2 VAL A 583 24.444 -6.310 13.244 1.00 0.00 C ATOM 0 H VAL A 583 25.843 -6.995 15.782 1.00 0.00 H new ATOM 0 HA VAL A 583 26.772 -8.861 13.753 1.00 0.00 H new ATOM 0 HB VAL A 583 25.805 -7.395 11.999 1.00 0.00 H new ATOM 0 HG11 VAL A 583 23.532 -8.509 12.074 1.00 0.00 H new ATOM 0 HG12 VAL A 583 24.854 -9.633 12.470 1.00 0.00 H new ATOM 0 HG13 VAL A 583 23.845 -8.954 13.769 1.00 0.00 H new ATOM 0 HG21 VAL A 583 23.681 -6.178 12.477 1.00 0.00 H new ATOM 0 HG22 VAL A 583 23.965 -6.420 14.217 1.00 0.00 H new ATOM 0 HG23 VAL A 583 25.098 -5.438 13.259 1.00 0.00 H new ATOM 770 N TRP A 584 28.593 -7.330 13.074 1.00 0.00 N ATOM 771 CA TRP A 584 29.725 -6.544 12.581 1.00 0.00 C ATOM 772 C TRP A 584 29.342 -5.948 11.215 1.00 0.00 C ATOM 773 O TRP A 584 29.406 -6.622 10.185 1.00 0.00 O ATOM 774 CB TRP A 584 30.962 -7.457 12.481 1.00 0.00 C ATOM 775 CG TRP A 584 31.890 -7.497 13.658 1.00 0.00 C ATOM 776 CD1 TRP A 584 32.356 -6.412 14.321 1.00 0.00 C ATOM 777 CD2 TRP A 584 32.536 -8.656 14.282 1.00 0.00 C ATOM 778 NE1 TRP A 584 33.185 -6.822 15.344 1.00 0.00 N ATOM 779 CE2 TRP A 584 33.347 -8.193 15.362 1.00 0.00 C ATOM 780 CE3 TRP A 584 32.499 -10.054 14.067 1.00 0.00 C ATOM 781 CZ2 TRP A 584 34.085 -9.070 16.176 1.00 0.00 C ATOM 782 CZ3 TRP A 584 33.224 -10.937 14.890 1.00 0.00 C ATOM 783 CH2 TRP A 584 34.021 -10.451 15.937 1.00 0.00 C ATOM 0 H TRP A 584 28.672 -8.315 12.820 1.00 0.00 H new ATOM 0 HA TRP A 584 29.967 -5.726 13.260 1.00 0.00 H new ATOM 0 HB2 TRP A 584 30.616 -8.473 12.291 1.00 0.00 H new ATOM 0 HB3 TRP A 584 31.538 -7.148 11.609 1.00 0.00 H new ATOM 0 HD1 TRP A 584 32.116 -5.386 14.085 1.00 0.00 H new ATOM 0 HE1 TRP A 584 33.627 -6.187 16.009 1.00 0.00 H new ATOM 0 HE3 TRP A 584 31.904 -10.451 13.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 584 34.696 -8.684 16.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 584 33.166 -12.001 14.713 1.00 0.00 H new ATOM 0 HH2 TRP A 584 34.582 -11.136 16.556 1.00 0.00 H new ATOM 794 N LYS A 585 28.888 -4.687 11.216 1.00 0.00 N ATOM 795 CA LYS A 585 28.467 -3.942 10.007 1.00 0.00 C ATOM 796 C LYS A 585 29.670 -3.499 9.161 1.00 0.00 C ATOM 797 O LYS A 585 30.743 -3.248 9.706 1.00 0.00 O ATOM 798 CB LYS A 585 27.585 -2.750 10.397 1.00 0.00 C ATOM 799 CG LYS A 585 26.258 -3.206 11.032 1.00 0.00 C ATOM 800 CD LYS A 585 25.363 -1.999 11.326 1.00 0.00 C ATOM 801 CE LYS A 585 24.045 -2.389 12.011 1.00 0.00 C ATOM 802 NZ LYS A 585 23.077 -3.034 11.083 1.00 0.00 N ATOM 0 H LYS A 585 28.799 -4.139 12.072 1.00 0.00 H new ATOM 0 HA LYS A 585 27.878 -4.616 9.385 1.00 0.00 H new ATOM 0 HB2 LYS A 585 28.124 -2.113 11.098 1.00 0.00 H new ATOM 0 HB3 LYS A 585 27.377 -2.147 9.513 1.00 0.00 H new ATOM 0 HG2 LYS A 585 25.743 -3.893 10.360 1.00 0.00 H new ATOM 0 HG3 LYS A 585 26.458 -3.752 11.954 1.00 0.00 H new ATOM 0 HD2 LYS A 585 25.904 -1.298 11.961 1.00 0.00 H new ATOM 0 HD3 LYS A 585 25.143 -1.480 10.393 1.00 0.00 H new ATOM 0 HE2 LYS A 585 24.258 -3.069 12.836 1.00 0.00 H new ATOM 0 HE3 LYS A 585 23.588 -1.498 12.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 585 22.208 -3.275 11.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 585 22.849 -2.378 10.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 585 23.497 -3.900 10.690 1.00 0.00 H new ATOM 816 N ASN A 586 29.476 -3.401 7.840 1.00 0.00 N ATOM 817 CA ASN A 586 30.505 -3.153 6.811 1.00 0.00 C ATOM 818 C ASN A 586 31.557 -4.297 6.681 1.00 0.00 C ATOM 819 O ASN A 586 32.450 -4.193 5.841 1.00 0.00 O ATOM 820 CB ASN A 586 31.097 -1.734 7.043 1.00 0.00 C ATOM 821 CG ASN A 586 31.616 -0.967 5.826 1.00 0.00 C ATOM 822 OD1 ASN A 586 31.409 0.233 5.706 1.00 0.00 O ATOM 823 ND2 ASN A 586 32.301 -1.589 4.895 1.00 0.00 N ATOM 0 H ASN A 586 28.546 -3.497 7.433 1.00 0.00 H new ATOM 0 HA ASN A 586 30.042 -3.167 5.824 1.00 0.00 H new ATOM 0 HB2 ASN A 586 30.329 -1.125 7.519 1.00 0.00 H new ATOM 0 HB3 ASN A 586 31.917 -1.826 7.755 1.00 0.00 H new ATOM 0 HD21 ASN A 586 32.651 -1.072 4.088 1.00 0.00 H new ATOM 0 HD22 ASN A 586 32.483 -2.589 4.978 1.00 0.00 H new ATOM 830 N THR A 587 31.469 -5.386 7.455 1.00 0.00 N ATOM 831 CA THR A 587 32.493 -6.452 7.565 1.00 0.00 C ATOM 832 C THR A 587 32.237 -7.649 6.641 1.00 0.00 C ATOM 833 O THR A 587 31.087 -8.020 6.382 1.00 0.00 O ATOM 834 CB THR A 587 32.617 -6.948 9.019 1.00 0.00 C ATOM 835 OG1 THR A 587 32.886 -5.846 9.859 1.00 0.00 O ATOM 836 CG2 THR A 587 33.735 -7.959 9.294 1.00 0.00 C ATOM 0 H THR A 587 30.657 -5.563 8.046 1.00 0.00 H new ATOM 0 HA THR A 587 33.427 -5.991 7.244 1.00 0.00 H new ATOM 0 HB THR A 587 31.668 -7.448 9.210 1.00 0.00 H new ATOM 0 HG1 THR A 587 33.274 -6.164 10.701 1.00 0.00 H new ATOM 0 HG21 THR A 587 33.725 -8.235 10.348 1.00 0.00 H new ATOM 0 HG22 THR A 587 33.579 -8.849 8.685 1.00 0.00 H new ATOM 0 HG23 THR A 587 34.698 -7.513 9.045 1.00 0.00 H new ATOM 844 N ILE A 588 33.323 -8.289 6.200 1.00 0.00 N ATOM 845 CA ILE A 588 33.382 -9.540 5.430 1.00 0.00 C ATOM 846 C ILE A 588 34.491 -10.456 5.984 1.00 0.00 C ATOM 847 O ILE A 588 35.529 -9.983 6.454 1.00 0.00 O ATOM 848 CB ILE A 588 33.559 -9.234 3.917 1.00 0.00 C ATOM 849 CG1 ILE A 588 33.680 -10.516 3.066 1.00 0.00 C ATOM 850 CG2 ILE A 588 34.784 -8.347 3.642 1.00 0.00 C ATOM 851 CD1 ILE A 588 33.574 -10.276 1.554 1.00 0.00 C ATOM 0 H ILE A 588 34.256 -7.920 6.384 1.00 0.00 H new ATOM 0 HA ILE A 588 32.440 -10.078 5.538 1.00 0.00 H new ATOM 0 HB ILE A 588 32.655 -8.699 3.628 1.00 0.00 H new ATOM 0 HG12 ILE A 588 34.636 -10.993 3.281 1.00 0.00 H new ATOM 0 HG13 ILE A 588 32.900 -11.215 3.368 1.00 0.00 H new ATOM 0 HG21 ILE A 588 34.865 -8.161 2.571 1.00 0.00 H new ATOM 0 HG22 ILE A 588 34.672 -7.399 4.168 1.00 0.00 H new ATOM 0 HG23 ILE A 588 35.685 -8.852 3.992 1.00 0.00 H new ATOM 0 HD11 ILE A 588 33.669 -11.226 1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 588 32.607 -9.828 1.324 1.00 0.00 H new ATOM 0 HD13 ILE A 588 34.371 -9.603 1.236 1.00 0.00 H new ATOM 863 N GLU A 589 34.277 -11.772 5.932 1.00 0.00 N ATOM 864 CA GLU A 589 35.291 -12.797 6.230 1.00 0.00 C ATOM 865 C GLU A 589 35.743 -13.513 4.944 1.00 0.00 C ATOM 866 O GLU A 589 34.911 -14.018 4.184 1.00 0.00 O ATOM 867 CB GLU A 589 34.727 -13.789 7.256 1.00 0.00 C ATOM 868 CG GLU A 589 35.797 -14.765 7.778 1.00 0.00 C ATOM 869 CD GLU A 589 35.252 -15.837 8.749 1.00 0.00 C ATOM 870 OE1 GLU A 589 35.955 -16.857 8.966 1.00 0.00 O ATOM 871 OE2 GLU A 589 34.130 -15.690 9.302 1.00 0.00 O ATOM 0 H GLU A 589 33.373 -12.169 5.676 1.00 0.00 H new ATOM 0 HA GLU A 589 36.172 -12.317 6.656 1.00 0.00 H new ATOM 0 HB2 GLU A 589 34.302 -13.238 8.095 1.00 0.00 H new ATOM 0 HB3 GLU A 589 33.914 -14.355 6.801 1.00 0.00 H new ATOM 0 HG2 GLU A 589 36.264 -15.263 6.929 1.00 0.00 H new ATOM 0 HG3 GLU A 589 36.578 -14.196 8.283 1.00 0.00 H new ATOM 878 N VAL A 590 37.052 -13.559 4.693 1.00 0.00 N ATOM 879 CA VAL A 590 37.662 -14.154 3.486 1.00 0.00 C ATOM 880 C VAL A 590 39.085 -14.617 3.760 1.00 0.00 C ATOM 881 O VAL A 590 39.862 -13.945 4.435 1.00 0.00 O ATOM 882 CB VAL A 590 37.525 -13.218 2.265 1.00 0.00 C ATOM 883 CG1 VAL A 590 38.119 -11.823 2.475 1.00 0.00 C ATOM 884 CG2 VAL A 590 38.142 -13.818 1.000 1.00 0.00 C ATOM 0 H VAL A 590 37.743 -13.175 5.337 1.00 0.00 H new ATOM 0 HA VAL A 590 37.107 -15.054 3.222 1.00 0.00 H new ATOM 0 HB VAL A 590 36.447 -13.112 2.141 1.00 0.00 H new ATOM 0 HG11 VAL A 590 37.981 -11.229 1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 590 37.616 -11.335 3.310 1.00 0.00 H new ATOM 0 HG13 VAL A 590 39.183 -11.910 2.693 1.00 0.00 H new ATOM 0 HG21 VAL A 590 38.020 -13.122 0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 590 39.203 -14.003 1.165 1.00 0.00 H new ATOM 0 HG23 VAL A 590 37.643 -14.757 0.762 1.00 0.00 H new ATOM 894 N ASN A 591 39.401 -15.817 3.269 1.00 0.00 N ATOM 895 CA ASN A 591 40.698 -16.471 3.416 1.00 0.00 C ATOM 896 C ASN A 591 41.190 -16.556 4.886 1.00 0.00 C ATOM 897 O ASN A 591 42.371 -16.373 5.182 1.00 0.00 O ATOM 898 CB ASN A 591 41.674 -15.818 2.430 1.00 0.00 C ATOM 899 CG ASN A 591 41.259 -15.908 0.965 1.00 0.00 C ATOM 900 OD1 ASN A 591 40.511 -16.781 0.542 1.00 0.00 O ATOM 901 ND2 ASN A 591 41.743 -15.006 0.137 1.00 0.00 N ATOM 0 H ASN A 591 38.735 -16.379 2.739 1.00 0.00 H new ATOM 0 HA ASN A 591 40.614 -17.526 3.154 1.00 0.00 H new ATOM 0 HB2 ASN A 591 41.789 -14.767 2.697 1.00 0.00 H new ATOM 0 HB3 ASN A 591 42.652 -16.285 2.545 1.00 0.00 H new ATOM 0 HD21 ASN A 591 41.495 -15.036 -0.852 1.00 0.00 H new ATOM 0 HD22 ASN A 591 42.366 -14.277 0.484 1.00 0.00 H new ATOM 908 N GLY A 592 40.262 -16.807 5.818 1.00 0.00 N ATOM 909 CA GLY A 592 40.522 -16.959 7.259 1.00 0.00 C ATOM 910 C GLY A 592 40.769 -15.655 8.030 1.00 0.00 C ATOM 911 O GLY A 592 41.195 -15.713 9.187 1.00 0.00 O ATOM 0 H GLY A 592 39.275 -16.914 5.584 1.00 0.00 H new ATOM 0 HA2 GLY A 592 39.673 -17.472 7.711 1.00 0.00 H new ATOM 0 HA3 GLY A 592 41.390 -17.606 7.387 1.00 0.00 H new ATOM 915 N LYS A 593 40.515 -14.487 7.420 1.00 0.00 N ATOM 916 CA LYS A 593 40.730 -13.146 8.003 1.00 0.00 C ATOM 917 C LYS A 593 39.517 -12.229 7.793 1.00 0.00 C ATOM 918 O LYS A 593 38.733 -12.420 6.860 1.00 0.00 O ATOM 919 CB LYS A 593 42.012 -12.528 7.409 1.00 0.00 C ATOM 920 CG LYS A 593 43.290 -13.275 7.830 1.00 0.00 C ATOM 921 CD LYS A 593 44.564 -12.680 7.205 1.00 0.00 C ATOM 922 CE LYS A 593 44.600 -12.884 5.683 1.00 0.00 C ATOM 923 NZ LYS A 593 45.880 -12.408 5.099 1.00 0.00 N ATOM 0 H LYS A 593 40.140 -14.445 6.472 1.00 0.00 H new ATOM 0 HA LYS A 593 40.853 -13.253 9.081 1.00 0.00 H new ATOM 0 HB2 LYS A 593 41.939 -12.529 6.321 1.00 0.00 H new ATOM 0 HB3 LYS A 593 42.086 -11.487 7.723 1.00 0.00 H new ATOM 0 HG2 LYS A 593 43.378 -13.250 8.916 1.00 0.00 H new ATOM 0 HG3 LYS A 593 43.205 -14.323 7.541 1.00 0.00 H new ATOM 0 HD2 LYS A 593 44.616 -11.615 7.431 1.00 0.00 H new ATOM 0 HD3 LYS A 593 45.441 -13.145 7.655 1.00 0.00 H new ATOM 0 HE2 LYS A 593 44.465 -13.941 5.453 1.00 0.00 H new ATOM 0 HE3 LYS A 593 43.768 -12.350 5.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 45.870 -12.561 4.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 45.996 -11.394 5.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 46.671 -12.936 5.520 1.00 0.00 H new ATOM 937 N TYR A 594 39.368 -11.235 8.666 1.00 0.00 N ATOM 938 CA TYR A 594 38.333 -10.201 8.571 1.00 0.00 C ATOM 939 C TYR A 594 38.818 -8.961 7.818 1.00 0.00 C ATOM 940 O TYR A 594 39.984 -8.565 7.890 1.00 0.00 O ATOM 941 CB TYR A 594 37.828 -9.807 9.960 1.00 0.00 C ATOM 942 CG TYR A 594 37.039 -10.909 10.637 1.00 0.00 C ATOM 943 CD1 TYR A 594 35.765 -11.230 10.135 1.00 0.00 C ATOM 944 CD2 TYR A 594 37.574 -11.624 11.723 1.00 0.00 C ATOM 945 CE1 TYR A 594 35.020 -12.270 10.716 1.00 0.00 C ATOM 946 CE2 TYR A 594 36.834 -12.671 12.306 1.00 0.00 C ATOM 947 CZ TYR A 594 35.551 -13.000 11.806 1.00 0.00 C ATOM 948 OH TYR A 594 34.848 -14.019 12.370 1.00 0.00 O ATOM 0 H TYR A 594 39.975 -11.121 9.478 1.00 0.00 H new ATOM 0 HA TYR A 594 37.510 -10.632 8.000 1.00 0.00 H new ATOM 0 HB2 TYR A 594 38.678 -9.538 10.587 1.00 0.00 H new ATOM 0 HB3 TYR A 594 37.202 -8.919 9.875 1.00 0.00 H new ATOM 0 HD1 TYR A 594 35.359 -10.676 9.302 1.00 0.00 H new ATOM 0 HD2 TYR A 594 38.550 -11.371 12.109 1.00 0.00 H new ATOM 0 HE1 TYR A 594 34.041 -12.513 10.330 1.00 0.00 H new ATOM 0 HE2 TYR A 594 37.246 -13.224 13.137 1.00 0.00 H new ATOM 0 HH TYR A 594 35.367 -14.407 13.105 1.00 0.00 H new ATOM 958 N PHE A 595 37.878 -8.337 7.117 1.00 0.00 N ATOM 959 CA PHE A 595 38.073 -7.200 6.215 1.00 0.00 C ATOM 960 C PHE A 595 36.789 -6.349 6.144 1.00 0.00 C ATOM 961 O PHE A 595 35.730 -6.763 6.619 1.00 0.00 O ATOM 962 CB PHE A 595 38.417 -7.755 4.818 1.00 0.00 C ATOM 963 CG PHE A 595 39.762 -8.446 4.667 1.00 0.00 C ATOM 964 CD1 PHE A 595 39.845 -9.852 4.702 1.00 0.00 C ATOM 965 CD2 PHE A 595 40.922 -7.685 4.429 1.00 0.00 C ATOM 966 CE1 PHE A 595 41.065 -10.497 4.439 1.00 0.00 C ATOM 967 CE2 PHE A 595 42.144 -8.330 4.167 1.00 0.00 C ATOM 968 CZ PHE A 595 42.215 -9.734 4.167 1.00 0.00 C ATOM 0 H PHE A 595 36.901 -8.626 7.164 1.00 0.00 H new ATOM 0 HA PHE A 595 38.880 -6.565 6.580 1.00 0.00 H new ATOM 0 HB2 PHE A 595 37.638 -8.462 4.532 1.00 0.00 H new ATOM 0 HB3 PHE A 595 38.377 -6.931 4.106 1.00 0.00 H new ATOM 0 HD1 PHE A 595 38.967 -10.437 4.932 1.00 0.00 H new ATOM 0 HD2 PHE A 595 40.874 -6.606 4.448 1.00 0.00 H new ATOM 0 HE1 PHE A 595 41.120 -11.576 4.446 1.00 0.00 H new ATOM 0 HE2 PHE A 595 43.030 -7.746 3.965 1.00 0.00 H new ATOM 0 HZ PHE A 595 43.153 -10.227 3.958 1.00 0.00 H new ATOM 978 N HIS A 596 36.853 -5.178 5.510 1.00 0.00 N ATOM 979 CA HIS A 596 35.667 -4.393 5.136 1.00 0.00 C ATOM 980 C HIS A 596 35.205 -4.811 3.742 1.00 0.00 C ATOM 981 O HIS A 596 36.035 -4.992 2.851 1.00 0.00 O ATOM 982 CB HIS A 596 35.994 -2.897 5.082 1.00 0.00 C ATOM 983 CG HIS A 596 36.064 -2.157 6.385 1.00 0.00 C ATOM 984 ND1 HIS A 596 37.166 -1.372 6.704 1.00 0.00 N ATOM 985 CD2 HIS A 596 35.130 -2.064 7.375 1.00 0.00 C ATOM 986 CE1 HIS A 596 36.890 -0.824 7.898 1.00 0.00 C ATOM 987 NE2 HIS A 596 35.669 -1.219 8.321 1.00 0.00 N ATOM 0 H HIS A 596 37.733 -4.741 5.238 1.00 0.00 H new ATOM 0 HA HIS A 596 34.895 -4.575 5.883 1.00 0.00 H new ATOM 0 HB2 HIS A 596 36.953 -2.780 4.577 1.00 0.00 H new ATOM 0 HB3 HIS A 596 35.244 -2.411 4.459 1.00 0.00 H new ATOM 0 HD2 HIS A 596 34.167 -2.552 7.410 1.00 0.00 H new ATOM 0 HE1 HIS A 596 37.549 -0.163 8.442 1.00 0.00 H new ATOM 0 HE2 HIS A 596 35.221 -0.939 9.194 1.00 0.00 H new ATOM 995 N SER A 597 33.897 -4.904 3.517 1.00 0.00 N ATOM 996 CA SER A 597 33.321 -5.229 2.198 1.00 0.00 C ATOM 997 C SER A 597 33.709 -4.201 1.130 1.00 0.00 C ATOM 998 O SER A 597 34.073 -4.578 0.019 1.00 0.00 O ATOM 999 CB SER A 597 31.795 -5.326 2.287 1.00 0.00 C ATOM 1000 OG SER A 597 31.415 -6.364 3.170 1.00 0.00 O ATOM 0 H SER A 597 33.196 -4.757 4.243 1.00 0.00 H new ATOM 0 HA SER A 597 33.732 -6.194 1.901 1.00 0.00 H new ATOM 0 HB2 SER A 597 31.384 -4.378 2.633 1.00 0.00 H new ATOM 0 HB3 SER A 597 31.378 -5.512 1.297 1.00 0.00 H new ATOM 0 HG SER A 597 30.642 -6.841 2.801 1.00 0.00 H new ATOM 1006 N THR A 598 33.690 -2.911 1.471 1.00 0.00 N ATOM 1007 CA THR A 598 34.113 -1.800 0.599 1.00 0.00 C ATOM 1008 C THR A 598 35.604 -1.851 0.265 1.00 0.00 C ATOM 1009 O THR A 598 35.983 -1.669 -0.893 1.00 0.00 O ATOM 1010 CB THR A 598 33.809 -0.454 1.288 1.00 0.00 C ATOM 1011 OG1 THR A 598 34.138 -0.494 2.666 1.00 0.00 O ATOM 1012 CG2 THR A 598 32.328 -0.094 1.220 1.00 0.00 C ATOM 0 H THR A 598 33.371 -2.595 2.387 1.00 0.00 H new ATOM 0 HA THR A 598 33.555 -1.897 -0.332 1.00 0.00 H new ATOM 0 HB THR A 598 34.409 0.283 0.755 1.00 0.00 H new ATOM 0 HG1 THR A 598 33.936 0.373 3.076 1.00 0.00 H new ATOM 0 HG21 THR A 598 32.163 0.861 1.718 1.00 0.00 H new ATOM 0 HG22 THR A 598 32.020 -0.018 0.177 1.00 0.00 H new ATOM 0 HG23 THR A 598 31.742 -0.868 1.716 1.00 0.00 H new ATOM 1020 N CYS A 599 36.460 -2.145 1.247 1.00 0.00 N ATOM 1021 CA CYS A 599 37.901 -2.288 1.066 1.00 0.00 C ATOM 1022 C CYS A 599 38.232 -3.505 0.169 1.00 0.00 C ATOM 1023 O CYS A 599 38.941 -3.378 -0.831 1.00 0.00 O ATOM 1024 CB CYS A 599 38.543 -2.369 2.459 1.00 0.00 C ATOM 1025 SG CYS A 599 38.355 -0.781 3.343 1.00 0.00 S ATOM 0 H CYS A 599 36.160 -2.293 2.211 1.00 0.00 H new ATOM 0 HA CYS A 599 38.314 -1.427 0.541 1.00 0.00 H new ATOM 0 HB2 CYS A 599 38.078 -3.170 3.034 1.00 0.00 H new ATOM 0 HB3 CYS A 599 39.600 -2.617 2.365 1.00 0.00 H new ATOM 1030 N TYR A 600 37.679 -4.672 0.511 1.00 0.00 N ATOM 1031 CA TYR A 600 37.855 -5.907 -0.250 1.00 0.00 C ATOM 1032 C TYR A 600 37.392 -5.772 -1.714 1.00 0.00 C ATOM 1033 O TYR A 600 38.033 -6.302 -2.622 1.00 0.00 O ATOM 1034 CB TYR A 600 37.130 -7.055 0.463 1.00 0.00 C ATOM 1035 CG TYR A 600 37.198 -8.367 -0.295 1.00 0.00 C ATOM 1036 CD1 TYR A 600 38.415 -9.071 -0.359 1.00 0.00 C ATOM 1037 CD2 TYR A 600 36.067 -8.846 -0.980 1.00 0.00 C ATOM 1038 CE1 TYR A 600 38.507 -10.258 -1.114 1.00 0.00 C ATOM 1039 CE2 TYR A 600 36.151 -10.033 -1.737 1.00 0.00 C ATOM 1040 CZ TYR A 600 37.372 -10.741 -1.805 1.00 0.00 C ATOM 1041 OH TYR A 600 37.447 -11.888 -2.537 1.00 0.00 O ATOM 0 H TYR A 600 37.089 -4.785 1.335 1.00 0.00 H new ATOM 0 HA TYR A 600 38.922 -6.127 -0.293 1.00 0.00 H new ATOM 0 HB2 TYR A 600 37.565 -7.192 1.453 1.00 0.00 H new ATOM 0 HB3 TYR A 600 36.085 -6.781 0.609 1.00 0.00 H new ATOM 0 HD1 TYR A 600 39.280 -8.701 0.171 1.00 0.00 H new ATOM 0 HD2 TYR A 600 35.134 -8.305 -0.926 1.00 0.00 H new ATOM 0 HE1 TYR A 600 39.442 -10.797 -1.164 1.00 0.00 H new ATOM 0 HE2 TYR A 600 35.283 -10.400 -2.264 1.00 0.00 H new ATOM 0 HH TYR A 600 36.575 -12.074 -2.944 1.00 0.00 H new ATOM 1051 N HIS A 601 36.331 -4.996 -1.973 1.00 0.00 N ATOM 1052 CA HIS A 601 35.856 -4.686 -3.332 1.00 0.00 C ATOM 1053 C HIS A 601 36.845 -3.860 -4.178 1.00 0.00 C ATOM 1054 O HIS A 601 36.778 -3.915 -5.407 1.00 0.00 O ATOM 1055 CB HIS A 601 34.471 -4.013 -3.251 1.00 0.00 C ATOM 1056 CG HIS A 601 33.357 -4.972 -3.596 1.00 0.00 C ATOM 1057 ND1 HIS A 601 32.845 -5.179 -4.881 1.00 0.00 N ATOM 1058 CD2 HIS A 601 32.770 -5.861 -2.738 1.00 0.00 C ATOM 1059 CE1 HIS A 601 31.947 -6.169 -4.764 1.00 0.00 C ATOM 1060 NE2 HIS A 601 31.882 -6.599 -3.490 1.00 0.00 N ATOM 0 H HIS A 601 35.772 -4.561 -1.239 1.00 0.00 H new ATOM 0 HA HIS A 601 35.774 -5.634 -3.863 1.00 0.00 H new ATOM 0 HB2 HIS A 601 34.315 -3.623 -2.245 1.00 0.00 H new ATOM 0 HB3 HIS A 601 34.441 -3.162 -3.931 1.00 0.00 H new ATOM 0 HD2 HIS A 601 32.964 -5.964 -1.681 1.00 0.00 H new ATOM 0 HE1 HIS A 601 31.359 -6.566 -5.578 1.00 0.00 H new ATOM 0 HE2 HIS A 601 31.279 -7.344 -3.141 1.00 0.00 H new ATOM 1068 N GLU A 602 37.786 -3.133 -3.564 1.00 0.00 N ATOM 1069 CA GLU A 602 38.891 -2.458 -4.267 1.00 0.00 C ATOM 1070 C GLU A 602 40.152 -3.333 -4.401 1.00 0.00 C ATOM 1071 O GLU A 602 40.862 -3.238 -5.403 1.00 0.00 O ATOM 1072 CB GLU A 602 39.251 -1.141 -3.558 1.00 0.00 C ATOM 1073 CG GLU A 602 38.104 -0.116 -3.573 1.00 0.00 C ATOM 1074 CD GLU A 602 38.534 1.291 -3.103 1.00 0.00 C ATOM 1075 OE1 GLU A 602 39.466 1.432 -2.272 1.00 0.00 O ATOM 1076 OE2 GLU A 602 37.920 2.287 -3.560 1.00 0.00 O ATOM 0 H GLU A 602 37.805 -2.993 -2.554 1.00 0.00 H new ATOM 0 HA GLU A 602 38.532 -2.256 -5.276 1.00 0.00 H new ATOM 0 HB2 GLU A 602 39.526 -1.355 -2.525 1.00 0.00 H new ATOM 0 HB3 GLU A 602 40.127 -0.704 -4.038 1.00 0.00 H new ATOM 0 HG2 GLU A 602 37.702 -0.046 -4.584 1.00 0.00 H new ATOM 0 HG3 GLU A 602 37.298 -0.474 -2.933 1.00 0.00 H new ATOM 1083 N THR A 603 40.444 -4.184 -3.411 1.00 0.00 N ATOM 1084 CA THR A 603 41.670 -5.013 -3.343 1.00 0.00 C ATOM 1085 C THR A 603 41.523 -6.422 -3.944 1.00 0.00 C ATOM 1086 O THR A 603 42.457 -7.225 -3.868 1.00 0.00 O ATOM 1087 CB THR A 603 42.214 -5.107 -1.905 1.00 0.00 C ATOM 1088 OG1 THR A 603 41.298 -5.774 -1.067 1.00 0.00 O ATOM 1089 CG2 THR A 603 42.523 -3.738 -1.290 1.00 0.00 C ATOM 0 H THR A 603 39.825 -4.324 -2.612 1.00 0.00 H new ATOM 0 HA THR A 603 42.389 -4.487 -3.970 1.00 0.00 H new ATOM 0 HB THR A 603 43.146 -5.667 -1.978 1.00 0.00 H new ATOM 0 HG1 THR A 603 41.723 -5.966 -0.205 1.00 0.00 H new ATOM 0 HG21 THR A 603 42.903 -3.872 -0.277 1.00 0.00 H new ATOM 0 HG22 THR A 603 43.273 -3.229 -1.894 1.00 0.00 H new ATOM 0 HG23 THR A 603 41.613 -3.139 -1.260 1.00 0.00 H new ATOM 1097 N SER A 604 40.382 -6.742 -4.562 1.00 0.00 N ATOM 1098 CA SER A 604 40.085 -8.065 -5.144 1.00 0.00 C ATOM 1099 C SER A 604 41.023 -8.466 -6.296 1.00 0.00 C ATOM 1100 O SER A 604 41.208 -9.659 -6.552 1.00 0.00 O ATOM 1101 CB SER A 604 38.635 -8.082 -5.637 1.00 0.00 C ATOM 1102 OG SER A 604 38.445 -7.159 -6.703 1.00 0.00 O ATOM 0 H SER A 604 39.618 -6.076 -4.677 1.00 0.00 H new ATOM 0 HA SER A 604 40.244 -8.797 -4.352 1.00 0.00 H new ATOM 0 HB2 SER A 604 38.373 -9.086 -5.970 1.00 0.00 H new ATOM 0 HB3 SER A 604 37.965 -7.834 -4.814 1.00 0.00 H new ATOM 0 HG SER A 604 37.512 -7.191 -7.001 1.00 0.00 H new ATOM 1108 N GLN A 605 41.627 -7.492 -6.986 1.00 0.00 N ATOM 1109 CA GLN A 605 42.575 -7.697 -8.091 1.00 0.00 C ATOM 1110 C GLN A 605 44.036 -7.570 -7.621 1.00 0.00 C ATOM 1111 O GLN A 605 44.385 -6.627 -6.905 1.00 0.00 O ATOM 1112 CB GLN A 605 42.281 -6.712 -9.240 1.00 0.00 C ATOM 1113 CG GLN A 605 40.806 -6.673 -9.680 1.00 0.00 C ATOM 1114 CD GLN A 605 40.227 -8.053 -9.991 1.00 0.00 C ATOM 1115 OE1 GLN A 605 40.683 -8.766 -10.877 1.00 0.00 O ATOM 1116 NE2 GLN A 605 39.204 -8.486 -9.283 1.00 0.00 N ATOM 0 H GLN A 605 41.465 -6.505 -6.785 1.00 0.00 H new ATOM 0 HA GLN A 605 42.441 -8.714 -8.459 1.00 0.00 H new ATOM 0 HB2 GLN A 605 42.582 -5.711 -8.931 1.00 0.00 H new ATOM 0 HB3 GLN A 605 42.897 -6.979 -10.099 1.00 0.00 H new ATOM 0 HG2 GLN A 605 40.212 -6.207 -8.893 1.00 0.00 H new ATOM 0 HG3 GLN A 605 40.715 -6.042 -10.564 1.00 0.00 H new ATOM 0 HE21 GLN A 605 38.814 -7.904 -8.542 1.00 0.00 H new ATOM 0 HE22 GLN A 605 38.802 -9.404 -9.476 1.00 0.00 H new ATOM 1125 N ASN A 606 44.901 -8.501 -8.034 1.00 0.00 N ATOM 1126 CA ASN A 606 46.338 -8.469 -7.734 1.00 0.00 C ATOM 1127 C ASN A 606 47.105 -7.444 -8.601 1.00 0.00 C ATOM 1128 O ASN A 606 46.626 -7.012 -9.652 1.00 0.00 O ATOM 1129 CB ASN A 606 46.895 -9.899 -7.882 1.00 0.00 C ATOM 1130 CG ASN A 606 48.277 -10.050 -7.263 1.00 0.00 C ATOM 1131 OD1 ASN A 606 48.506 -9.707 -6.112 1.00 0.00 O ATOM 1132 ND2 ASN A 606 49.252 -10.519 -8.005 1.00 0.00 N ATOM 0 H ASN A 606 44.621 -9.308 -8.592 1.00 0.00 H new ATOM 0 HA ASN A 606 46.482 -8.128 -6.709 1.00 0.00 H new ATOM 0 HB2 ASN A 606 46.210 -10.604 -7.411 1.00 0.00 H new ATOM 0 HB3 ASN A 606 46.943 -10.160 -8.939 1.00 0.00 H new ATOM 0 HD21 ASN A 606 50.194 -10.596 -7.621 1.00 0.00 H new ATOM 0 HD22 ASN A 606 49.068 -10.807 -8.966 1.00 0.00 H new ATOM 1139 N SER A 607 48.321 -7.075 -8.183 1.00 0.00 N ATOM 1140 CA SER A 607 49.221 -6.155 -8.903 1.00 0.00 C ATOM 1141 C SER A 607 49.878 -6.752 -10.167 1.00 0.00 C ATOM 1142 O SER A 607 50.448 -6.007 -10.973 1.00 0.00 O ATOM 1143 CB SER A 607 50.306 -5.670 -7.934 1.00 0.00 C ATOM 1144 OG SER A 607 51.072 -6.760 -7.439 1.00 0.00 O ATOM 0 H SER A 607 48.722 -7.416 -7.309 1.00 0.00 H new ATOM 0 HA SER A 607 48.602 -5.332 -9.261 1.00 0.00 H new ATOM 0 HB2 SER A 607 50.961 -4.961 -8.441 1.00 0.00 H new ATOM 0 HB3 SER A 607 49.844 -5.138 -7.102 1.00 0.00 H new ATOM 0 HG SER A 607 51.758 -6.425 -6.825 1.00 0.00 H new ATOM 1150 N SER A 608 49.807 -8.077 -10.363 1.00 0.00 N ATOM 1151 CA SER A 608 50.342 -8.815 -11.525 1.00 0.00 C ATOM 1152 C SER A 608 49.647 -8.475 -12.857 1.00 0.00 C ATOM 1153 O SER A 608 48.395 -8.468 -12.924 1.00 0.00 O ATOM 1154 CB SER A 608 50.317 -10.324 -11.247 1.00 0.00 C ATOM 1155 OG SER A 608 49.016 -10.760 -10.880 1.00 0.00 O ATOM 1156 OXT SER A 608 50.373 -8.235 -13.850 1.00 0.00 O ATOM 0 H SER A 608 49.356 -8.694 -9.688 1.00 0.00 H new ATOM 0 HA SER A 608 51.374 -8.488 -11.653 1.00 0.00 H new ATOM 0 HB2 SER A 608 50.647 -10.865 -12.134 1.00 0.00 H new ATOM 0 HB3 SER A 608 51.021 -10.561 -10.449 1.00 0.00 H new ATOM 0 HG SER A 608 49.030 -11.725 -10.710 1.00 0.00 H new TER 1162 SER A 608 HETATM 1163 ZN ZN A 701 39.050 -1.092 5.639 1.00 0.00 ZN