USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 714 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 Set 1.1: A 600 SER OG : rot 60:sc= 1.21 USER MOD Set 1.2: A 605 ASN : amide:sc= -10.4! C(o=-9.2!,f=-14!) USER MOD Set 2.1: A 539 TYR OH : rot 150:sc= -1.09 USER MOD Set 2.2: A 576 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 532 THR OG1 : rot 172:sc= -3.76! USER MOD Single : A 533 THR OG1 : rot 10:sc= 0.779 USER MOD Single : A 534 ASN : amide:sc= -6.08! C(o=-6.1!,f=-12!) USER MOD Single : A 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 537 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 540 TYR OH : rot 148:sc= -0.243 USER MOD Single : A 541 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 542 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 ASN : amide:sc= -0.0349 X(o=-0.035,f=0) USER MOD Single : A 546 SER OG : rot 180:sc= -0.0125 USER MOD Single : A 548 TYR OH : rot 180:sc= 0 USER MOD Single : A 550 HIS :FLIP no HE2:sc= -1.98 F(o=-3.1,f=-2) USER MOD Single : A 551 TYR OH : rot 70:sc= -4.48! USER MOD Single : A 557 SER OG : rot 180:sc= -0.309 USER MOD Single : A 559 THR OG1 : rot 180:sc= 0.0273 USER MOD Single : A 565 LYS NZ :NH3+ 175:sc= -1.69 (180deg=-1.83) USER MOD Single : A 566 MET CE :methyl -168:sc= -4.69! (180deg=-4.94!) USER MOD Single : A 567 GLN : amide:sc= -0.0852 K(o=-0.085,f=-0.78) USER MOD Single : A 572 SER OG : rot 180:sc= 0 USER MOD Single : A 574 TYR OH : rot 180:sc= 0 USER MOD Single : A 578 THR OG1 : rot 180:sc= -0.035 USER MOD Single : A 583 SER OG : rot 77:sc= 1.02 USER MOD Single : A 585 SER OG : rot 180:sc= 0 USER MOD Single : A 586 GLN : amide:sc= -0.0135 X(o=-0.013,f=0) USER MOD Single : A 592 ASN : amide:sc= -0.407 K(o=-0.41,f=-1) USER MOD Single : A 595 ASN : amide:sc=-0.00361 X(o=-0.0036,f=-0.1) USER MOD Single : A 596 ASN :FLIP amide:sc= 0.878 F(o=-0.67,f=0.88) USER MOD Single : A 597 ASN : amide:sc=-0.00361 X(o=-0.0036,f=-0.034) USER MOD Single : A 601 ASN : amide:sc= -0.963 K(o=-0.96,f=-2.4) USER MOD Single : A 602 ASN : amide:sc= -0.215 K(o=-0.22,f=-2.2!) USER MOD Single : A 603 THR OG1 : rot -59:sc= 0.0634 USER MOD Single : A 604 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 606 TYR OH : rot 180:sc= 0 USER MOD Single : A 609 SER OG : rot 180:sc= 0.0879 USER MOD Single : A 610 THR OG1 : rot 180:sc= 0.00978 USER MOD Single : A 612 THR OG1 : rot 180:sc= 0 USER MOD Single : A 613 SER OG : rot 180:sc= 0 USER MOD Single : A 614 THR OG1 : rot 87:sc= -1.13 USER MOD Single : A 615 TYR OH : rot 180:sc= -0.0853 USER MOD Single : A 616 THR OG1 : rot 180:sc= 0 USER MOD Single : A 619 SER OG : rot 180:sc= -0.706 USER MOD Single : A 620 ASN : amide:sc= -2.42! C(o=-2.4!,f=-3.9!) USER MOD Single : A 625 THR OG1 : rot 180:sc= 0 USER MOD Single : A 628 THR OG1 : rot 180:sc= 0.152 USER MOD Single : A 632 SER OG : rot 105:sc= 0.0685 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 530 -10.329 12.767 -6.793 1.00 0.00 N ATOM 2 CA GLY A 530 -11.553 13.414 -6.351 1.00 0.00 C ATOM 3 C GLY A 530 -11.298 14.291 -5.123 1.00 0.00 C ATOM 4 O GLY A 530 -11.611 15.480 -5.129 1.00 0.00 O ATOM 0 HA2 GLY A 530 -11.959 14.023 -7.159 1.00 0.00 H new ATOM 0 HA3 GLY A 530 -12.302 12.659 -6.114 1.00 0.00 H new ATOM 8 N GLY A 531 -10.731 13.669 -4.099 1.00 0.00 N ATOM 9 CA GLY A 531 -10.430 14.378 -2.867 1.00 0.00 C ATOM 10 C GLY A 531 -9.446 15.522 -3.119 1.00 0.00 C ATOM 11 O GLY A 531 -9.799 16.692 -2.981 1.00 0.00 O ATOM 0 H GLY A 531 -10.472 12.682 -4.098 1.00 0.00 H new ATOM 0 HA2 GLY A 531 -11.350 14.773 -2.437 1.00 0.00 H new ATOM 0 HA3 GLY A 531 -10.009 13.685 -2.138 1.00 0.00 H new ATOM 15 N THR A 532 -8.230 15.144 -3.485 1.00 0.00 N ATOM 16 CA THR A 532 -7.192 16.124 -3.758 1.00 0.00 C ATOM 17 C THR A 532 -6.914 16.202 -5.260 1.00 0.00 C ATOM 18 O THR A 532 -7.500 17.024 -5.962 1.00 0.00 O ATOM 19 CB THR A 532 -5.960 15.750 -2.930 1.00 0.00 C ATOM 20 OG1 THR A 532 -5.589 14.465 -3.421 1.00 0.00 O ATOM 21 CG2 THR A 532 -6.296 15.505 -1.458 1.00 0.00 C ATOM 0 H THR A 532 -7.940 14.173 -3.599 1.00 0.00 H new ATOM 0 HA THR A 532 -7.507 17.126 -3.466 1.00 0.00 H new ATOM 0 HB THR A 532 -5.218 16.545 -3.005 1.00 0.00 H new ATOM 0 HG1 THR A 532 -4.728 14.203 -3.033 1.00 0.00 H new ATOM 0 HG21 THR A 532 -5.387 15.243 -0.916 1.00 0.00 H new ATOM 0 HG22 THR A 532 -6.727 16.409 -1.028 1.00 0.00 H new ATOM 0 HG23 THR A 532 -7.013 14.688 -1.380 1.00 0.00 H new ATOM 29 N THR A 533 -6.019 15.334 -5.710 1.00 0.00 N ATOM 30 CA THR A 533 -5.656 15.295 -7.116 1.00 0.00 C ATOM 31 C THR A 533 -4.850 14.031 -7.423 1.00 0.00 C ATOM 32 O THR A 533 -5.379 13.074 -7.987 1.00 0.00 O ATOM 33 CB THR A 533 -4.908 16.588 -7.448 1.00 0.00 C ATOM 34 OG1 THR A 533 -5.945 17.528 -7.718 1.00 0.00 O ATOM 35 CG2 THR A 533 -4.136 16.496 -8.766 1.00 0.00 C ATOM 0 H THR A 533 -5.535 14.653 -5.125 1.00 0.00 H new ATOM 0 HA THR A 533 -6.540 15.242 -7.751 1.00 0.00 H new ATOM 0 HB THR A 533 -4.217 16.826 -6.639 1.00 0.00 H new ATOM 0 HG1 THR A 533 -6.811 17.140 -7.472 1.00 0.00 H new ATOM 0 HG21 THR A 533 -3.624 17.439 -8.954 1.00 0.00 H new ATOM 0 HG22 THR A 533 -3.403 15.691 -8.703 1.00 0.00 H new ATOM 0 HG23 THR A 533 -4.830 16.292 -9.581 1.00 0.00 H new ATOM 43 N ASN A 534 -3.582 14.068 -7.039 1.00 0.00 N ATOM 44 CA ASN A 534 -2.698 12.938 -7.267 1.00 0.00 C ATOM 45 C ASN A 534 -3.154 11.758 -6.407 1.00 0.00 C ATOM 46 O ASN A 534 -3.631 11.947 -5.289 1.00 0.00 O ATOM 47 CB ASN A 534 -1.258 13.278 -6.877 1.00 0.00 C ATOM 48 CG ASN A 534 -0.940 14.744 -7.177 1.00 0.00 C ATOM 49 OD1 ASN A 534 -1.648 15.424 -7.902 1.00 0.00 O ATOM 50 ND2 ASN A 534 0.161 15.192 -6.581 1.00 0.00 N ATOM 0 H ASN A 534 -3.146 14.863 -6.572 1.00 0.00 H new ATOM 0 HA ASN A 534 -2.736 12.689 -8.328 1.00 0.00 H new ATOM 0 HB2 ASN A 534 -1.108 13.080 -5.816 1.00 0.00 H new ATOM 0 HB3 ASN A 534 -0.568 12.634 -7.422 1.00 0.00 H new ATOM 0 HD21 ASN A 534 0.458 16.158 -6.718 1.00 0.00 H new ATOM 0 HD22 ASN A 534 0.708 14.570 -5.986 1.00 0.00 H new ATOM 57 N LYS A 535 -2.992 10.565 -6.961 1.00 0.00 N ATOM 58 CA LYS A 535 -3.381 9.354 -6.259 1.00 0.00 C ATOM 59 C LYS A 535 -2.362 8.251 -6.550 1.00 0.00 C ATOM 60 O LYS A 535 -1.809 8.186 -7.647 1.00 0.00 O ATOM 61 CB LYS A 535 -4.820 8.971 -6.610 1.00 0.00 C ATOM 62 CG LYS A 535 -5.806 10.031 -6.118 1.00 0.00 C ATOM 63 CD LYS A 535 -7.207 9.781 -6.680 1.00 0.00 C ATOM 64 CE LYS A 535 -7.267 10.115 -8.172 1.00 0.00 C ATOM 65 NZ LYS A 535 -7.646 8.918 -8.956 1.00 0.00 N ATOM 0 H LYS A 535 -2.596 10.412 -7.889 1.00 0.00 H new ATOM 0 HA LYS A 535 -3.373 9.519 -5.182 1.00 0.00 H new ATOM 0 HB2 LYS A 535 -4.916 8.854 -7.689 1.00 0.00 H new ATOM 0 HB3 LYS A 535 -5.063 8.008 -6.162 1.00 0.00 H new ATOM 0 HG2 LYS A 535 -5.841 10.023 -5.029 1.00 0.00 H new ATOM 0 HG3 LYS A 535 -5.461 11.020 -6.418 1.00 0.00 H new ATOM 0 HD2 LYS A 535 -7.484 8.738 -6.526 1.00 0.00 H new ATOM 0 HD3 LYS A 535 -7.933 10.387 -6.139 1.00 0.00 H new ATOM 0 HE2 LYS A 535 -7.989 10.913 -8.343 1.00 0.00 H new ATOM 0 HE3 LYS A 535 -6.298 10.485 -8.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 -7.682 9.162 -9.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 -6.942 8.167 -8.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 -8.581 8.582 -8.647 1.00 0.00 H new ATOM 78 N VAL A 536 -2.144 7.412 -5.548 1.00 0.00 N ATOM 79 CA VAL A 536 -1.201 6.314 -5.683 1.00 0.00 C ATOM 80 C VAL A 536 -1.954 4.986 -5.591 1.00 0.00 C ATOM 81 O VAL A 536 -2.611 4.709 -4.588 1.00 0.00 O ATOM 82 CB VAL A 536 -0.092 6.446 -4.637 1.00 0.00 C ATOM 83 CG1 VAL A 536 0.885 7.563 -5.013 1.00 0.00 C ATOM 84 CG2 VAL A 536 -0.677 6.676 -3.243 1.00 0.00 C ATOM 0 H VAL A 536 -2.604 7.470 -4.639 1.00 0.00 H new ATOM 0 HA VAL A 536 -0.716 6.345 -6.658 1.00 0.00 H new ATOM 0 HB VAL A 536 0.462 5.508 -4.616 1.00 0.00 H new ATOM 0 HG11 VAL A 536 1.664 7.636 -4.254 1.00 0.00 H new ATOM 0 HG12 VAL A 536 1.339 7.339 -5.978 1.00 0.00 H new ATOM 0 HG13 VAL A 536 0.349 8.510 -5.075 1.00 0.00 H new ATOM 0 HG21 VAL A 536 0.133 6.766 -2.519 1.00 0.00 H new ATOM 0 HG22 VAL A 536 -1.268 7.592 -3.243 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -1.314 5.834 -2.972 1.00 0.00 H new ATOM 94 N THR A 537 -1.834 4.200 -6.650 1.00 0.00 N ATOM 95 CA THR A 537 -2.496 2.907 -6.702 1.00 0.00 C ATOM 96 C THR A 537 -1.493 1.784 -6.429 1.00 0.00 C ATOM 97 O THR A 537 -0.478 1.673 -7.114 1.00 0.00 O ATOM 98 CB THR A 537 -3.190 2.785 -8.059 1.00 0.00 C ATOM 99 OG1 THR A 537 -4.140 3.847 -8.061 1.00 0.00 O ATOM 100 CG2 THR A 537 -4.046 1.521 -8.168 1.00 0.00 C ATOM 0 H THR A 537 -1.288 4.433 -7.479 1.00 0.00 H new ATOM 0 HA THR A 537 -3.255 2.819 -5.924 1.00 0.00 H new ATOM 0 HB THR A 537 -2.440 2.786 -8.850 1.00 0.00 H new ATOM 0 HG1 THR A 537 -4.634 3.842 -8.907 1.00 0.00 H new ATOM 0 HG21 THR A 537 -4.516 1.484 -9.151 1.00 0.00 H new ATOM 0 HG22 THR A 537 -3.416 0.642 -8.034 1.00 0.00 H new ATOM 0 HG23 THR A 537 -4.817 1.536 -7.397 1.00 0.00 H new ATOM 108 N VAL A 538 -1.814 0.979 -5.426 1.00 0.00 N ATOM 109 CA VAL A 538 -0.954 -0.132 -5.054 1.00 0.00 C ATOM 110 C VAL A 538 -1.767 -1.428 -5.067 1.00 0.00 C ATOM 111 O VAL A 538 -2.908 -1.453 -4.609 1.00 0.00 O ATOM 112 CB VAL A 538 -0.295 0.147 -3.702 1.00 0.00 C ATOM 113 CG1 VAL A 538 0.811 -0.870 -3.411 1.00 0.00 C ATOM 114 CG2 VAL A 538 0.244 1.577 -3.639 1.00 0.00 C ATOM 0 H VAL A 538 -2.657 1.074 -4.860 1.00 0.00 H new ATOM 0 HA VAL A 538 -0.146 -0.248 -5.777 1.00 0.00 H new ATOM 0 HB VAL A 538 -1.057 0.043 -2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 538 1.263 -0.649 -2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 538 0.387 -1.874 -3.392 1.00 0.00 H new ATOM 0 HG13 VAL A 538 1.572 -0.812 -4.189 1.00 0.00 H new ATOM 0 HG21 VAL A 538 0.707 1.749 -2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 538 0.985 1.721 -4.425 1.00 0.00 H new ATOM 0 HG23 VAL A 538 -0.576 2.281 -3.780 1.00 0.00 H new ATOM 124 N TYR A 539 -1.148 -2.472 -5.598 1.00 0.00 N ATOM 125 CA TYR A 539 -1.800 -3.768 -5.677 1.00 0.00 C ATOM 126 C TYR A 539 -1.052 -4.810 -4.844 1.00 0.00 C ATOM 127 O TYR A 539 0.131 -5.059 -5.072 1.00 0.00 O ATOM 128 CB TYR A 539 -1.749 -4.177 -7.150 1.00 0.00 C ATOM 129 CG TYR A 539 -3.071 -3.983 -7.896 1.00 0.00 C ATOM 130 CD1 TYR A 539 -3.466 -2.719 -8.282 1.00 0.00 C ATOM 131 CD2 TYR A 539 -3.867 -5.073 -8.183 1.00 0.00 C ATOM 132 CE1 TYR A 539 -4.710 -2.537 -8.985 1.00 0.00 C ATOM 133 CE2 TYR A 539 -5.111 -4.891 -8.885 1.00 0.00 C ATOM 134 CZ TYR A 539 -5.471 -3.632 -9.251 1.00 0.00 C ATOM 135 OH TYR A 539 -6.646 -3.460 -9.914 1.00 0.00 O ATOM 0 H TYR A 539 -0.202 -2.447 -5.978 1.00 0.00 H new ATOM 0 HA TYR A 539 -2.819 -3.709 -5.295 1.00 0.00 H new ATOM 0 HB2 TYR A 539 -0.973 -3.598 -7.651 1.00 0.00 H new ATOM 0 HB3 TYR A 539 -1.457 -5.225 -7.216 1.00 0.00 H new ATOM 0 HD1 TYR A 539 -2.843 -1.866 -8.057 1.00 0.00 H new ATOM 0 HD2 TYR A 539 -3.557 -6.063 -7.881 1.00 0.00 H new ATOM 0 HE1 TYR A 539 -5.031 -1.553 -9.294 1.00 0.00 H new ATOM 0 HE2 TYR A 539 -5.744 -5.735 -9.116 1.00 0.00 H new ATOM 0 HH TYR A 539 -6.843 -4.261 -10.444 1.00 0.00 H new ATOM 145 N TYR A 540 -1.771 -5.392 -3.896 1.00 0.00 N ATOM 146 CA TYR A 540 -1.190 -6.402 -3.028 1.00 0.00 C ATOM 147 C TYR A 540 -1.911 -7.742 -3.186 1.00 0.00 C ATOM 148 O TYR A 540 -3.134 -7.783 -3.304 1.00 0.00 O ATOM 149 CB TYR A 540 -1.390 -5.895 -1.598 1.00 0.00 C ATOM 150 CG TYR A 540 -1.333 -6.994 -0.535 1.00 0.00 C ATOM 151 CD1 TYR A 540 -0.293 -7.901 -0.535 1.00 0.00 C ATOM 152 CD2 TYR A 540 -2.322 -7.077 0.425 1.00 0.00 C ATOM 153 CE1 TYR A 540 -0.239 -8.935 0.466 1.00 0.00 C ATOM 154 CE2 TYR A 540 -2.268 -8.111 1.425 1.00 0.00 C ATOM 155 CZ TYR A 540 -1.229 -8.989 1.397 1.00 0.00 C ATOM 156 OH TYR A 540 -1.179 -9.965 2.342 1.00 0.00 O ATOM 0 H TYR A 540 -2.752 -5.183 -3.710 1.00 0.00 H new ATOM 0 HA TYR A 540 -0.140 -6.560 -3.273 1.00 0.00 H new ATOM 0 HB2 TYR A 540 -0.626 -5.150 -1.377 1.00 0.00 H new ATOM 0 HB3 TYR A 540 -2.354 -5.391 -1.534 1.00 0.00 H new ATOM 0 HD1 TYR A 540 0.481 -7.835 -1.286 1.00 0.00 H new ATOM 0 HD2 TYR A 540 -3.135 -6.367 0.426 1.00 0.00 H new ATOM 0 HE1 TYR A 540 0.569 -9.651 0.477 1.00 0.00 H new ATOM 0 HE2 TYR A 540 -3.035 -8.188 2.181 1.00 0.00 H new ATOM 0 HH TYR A 540 -1.573 -9.633 3.176 1.00 0.00 H new ATOM 166 N LYS A 541 -1.121 -8.806 -3.184 1.00 0.00 N ATOM 167 CA LYS A 541 -1.669 -10.145 -3.326 1.00 0.00 C ATOM 168 C LYS A 541 -2.035 -10.690 -1.945 1.00 0.00 C ATOM 169 O LYS A 541 -1.161 -10.911 -1.108 1.00 0.00 O ATOM 170 CB LYS A 541 -0.701 -11.039 -4.104 1.00 0.00 C ATOM 171 CG LYS A 541 -1.421 -12.268 -4.663 1.00 0.00 C ATOM 172 CD LYS A 541 -0.503 -13.493 -4.654 1.00 0.00 C ATOM 173 CE LYS A 541 -1.073 -14.598 -3.762 1.00 0.00 C ATOM 174 NZ LYS A 541 -0.609 -15.926 -4.223 1.00 0.00 N ATOM 0 H LYS A 541 -0.106 -8.768 -3.086 1.00 0.00 H new ATOM 0 HA LYS A 541 -2.587 -10.122 -3.913 1.00 0.00 H new ATOM 0 HB2 LYS A 541 -0.253 -10.473 -4.920 1.00 0.00 H new ATOM 0 HB3 LYS A 541 0.113 -11.355 -3.451 1.00 0.00 H new ATOM 0 HG2 LYS A 541 -2.312 -12.473 -4.070 1.00 0.00 H new ATOM 0 HG3 LYS A 541 -1.755 -12.067 -5.681 1.00 0.00 H new ATOM 0 HD2 LYS A 541 -0.381 -13.868 -5.670 1.00 0.00 H new ATOM 0 HD3 LYS A 541 0.487 -13.208 -4.298 1.00 0.00 H new ATOM 0 HE2 LYS A 541 -0.764 -14.436 -2.729 1.00 0.00 H new ATOM 0 HE3 LYS A 541 -2.162 -14.561 -3.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 -1.005 -16.665 -3.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 -0.926 -16.084 -5.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 0.430 -15.963 -4.185 1.00 0.00 H new ATOM 187 N LYS A 542 -3.330 -10.892 -1.748 1.00 0.00 N ATOM 188 CA LYS A 542 -3.823 -11.408 -0.482 1.00 0.00 C ATOM 189 C LYS A 542 -3.758 -12.936 -0.499 1.00 0.00 C ATOM 190 O LYS A 542 -4.019 -13.561 -1.526 1.00 0.00 O ATOM 191 CB LYS A 542 -5.219 -10.855 -0.186 1.00 0.00 C ATOM 192 CG LYS A 542 -6.057 -11.871 0.593 1.00 0.00 C ATOM 193 CD LYS A 542 -7.052 -11.167 1.518 1.00 0.00 C ATOM 194 CE LYS A 542 -7.778 -10.038 0.784 1.00 0.00 C ATOM 195 NZ LYS A 542 -9.195 -9.972 1.207 1.00 0.00 N ATOM 0 H LYS A 542 -4.053 -10.708 -2.444 1.00 0.00 H new ATOM 0 HA LYS A 542 -3.191 -11.071 0.339 1.00 0.00 H new ATOM 0 HB2 LYS A 542 -5.134 -9.932 0.387 1.00 0.00 H new ATOM 0 HB3 LYS A 542 -5.721 -10.605 -1.121 1.00 0.00 H new ATOM 0 HG2 LYS A 542 -6.595 -12.514 -0.103 1.00 0.00 H new ATOM 0 HG3 LYS A 542 -5.402 -12.514 1.180 1.00 0.00 H new ATOM 0 HD2 LYS A 542 -7.778 -11.888 1.893 1.00 0.00 H new ATOM 0 HD3 LYS A 542 -6.527 -10.764 2.384 1.00 0.00 H new ATOM 0 HE2 LYS A 542 -7.286 -9.087 0.990 1.00 0.00 H new ATOM 0 HE3 LYS A 542 -7.721 -10.200 -0.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 542 -9.673 -9.201 0.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 542 -9.665 -10.874 0.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 542 -9.244 -9.795 2.231 1.00 0.00 H new ATOM 208 N GLY A 543 -3.409 -13.494 0.651 1.00 0.00 N ATOM 209 CA GLY A 543 -3.118 -12.682 1.819 1.00 0.00 C ATOM 210 C GLY A 543 -3.541 -13.397 3.104 1.00 0.00 C ATOM 211 O GLY A 543 -3.208 -14.563 3.308 1.00 0.00 O ATOM 0 H GLY A 543 -3.321 -14.500 0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 543 -2.051 -12.461 1.856 1.00 0.00 H new ATOM 0 HA3 GLY A 543 -3.639 -11.728 1.742 1.00 0.00 H new ATOM 215 N PHE A 544 -4.269 -12.667 3.937 1.00 0.00 N ATOM 216 CA PHE A 544 -4.741 -13.217 5.197 1.00 0.00 C ATOM 217 C PHE A 544 -6.270 -13.222 5.254 1.00 0.00 C ATOM 218 O PHE A 544 -6.927 -13.717 4.340 1.00 0.00 O ATOM 219 CB PHE A 544 -4.203 -12.315 6.309 1.00 0.00 C ATOM 220 CG PHE A 544 -2.698 -12.052 6.224 1.00 0.00 C ATOM 221 CD1 PHE A 544 -2.197 -11.284 5.220 1.00 0.00 C ATOM 222 CD2 PHE A 544 -1.862 -12.587 7.153 1.00 0.00 C ATOM 223 CE1 PHE A 544 -0.800 -11.041 5.141 1.00 0.00 C ATOM 224 CE2 PHE A 544 -0.465 -12.344 7.075 1.00 0.00 C ATOM 225 CZ PHE A 544 0.036 -11.576 6.071 1.00 0.00 C ATOM 0 H PHE A 544 -4.543 -11.700 3.764 1.00 0.00 H new ATOM 0 HA PHE A 544 -4.397 -14.245 5.306 1.00 0.00 H new ATOM 0 HB2 PHE A 544 -4.730 -11.362 6.276 1.00 0.00 H new ATOM 0 HB3 PHE A 544 -4.428 -12.771 7.273 1.00 0.00 H new ATOM 0 HD1 PHE A 544 -2.862 -10.859 4.482 1.00 0.00 H new ATOM 0 HD2 PHE A 544 -2.260 -13.197 7.950 1.00 0.00 H new ATOM 0 HE1 PHE A 544 -0.402 -10.432 4.343 1.00 0.00 H new ATOM 0 HE2 PHE A 544 0.199 -12.769 7.813 1.00 0.00 H new ATOM 0 HZ PHE A 544 1.098 -11.391 6.012 1.00 0.00 H new ATOM 235 N ASN A 545 -6.791 -12.665 6.337 1.00 0.00 N ATOM 236 CA ASN A 545 -8.230 -12.598 6.526 1.00 0.00 C ATOM 237 C ASN A 545 -8.675 -11.135 6.509 1.00 0.00 C ATOM 238 O ASN A 545 -9.490 -10.739 5.677 1.00 0.00 O ATOM 239 CB ASN A 545 -8.638 -13.201 7.872 1.00 0.00 C ATOM 240 CG ASN A 545 -7.721 -14.366 8.251 1.00 0.00 C ATOM 241 OD1 ASN A 545 -7.120 -14.397 9.312 1.00 0.00 O ATOM 242 ND2 ASN A 545 -7.646 -15.319 7.326 1.00 0.00 N ATOM 0 H ASN A 545 -6.242 -12.256 7.093 1.00 0.00 H new ATOM 0 HA ASN A 545 -8.702 -13.161 5.721 1.00 0.00 H new ATOM 0 HB2 ASN A 545 -8.597 -12.434 8.646 1.00 0.00 H new ATOM 0 HB3 ASN A 545 -9.670 -13.547 7.822 1.00 0.00 H new ATOM 0 HD21 ASN A 545 -7.059 -16.138 7.484 1.00 0.00 H new ATOM 0 HD22 ASN A 545 -8.176 -15.231 6.459 1.00 0.00 H new ATOM 249 N SER A 546 -8.122 -10.371 7.439 1.00 0.00 N ATOM 250 CA SER A 546 -8.452 -8.959 7.542 1.00 0.00 C ATOM 251 C SER A 546 -7.181 -8.141 7.783 1.00 0.00 C ATOM 252 O SER A 546 -7.048 -7.485 8.815 1.00 0.00 O ATOM 253 CB SER A 546 -9.463 -8.710 8.662 1.00 0.00 C ATOM 254 OG SER A 546 -10.807 -8.831 8.204 1.00 0.00 O ATOM 0 H SER A 546 -7.447 -10.703 8.128 1.00 0.00 H new ATOM 0 HA SER A 546 -8.907 -8.645 6.603 1.00 0.00 H new ATOM 0 HB2 SER A 546 -9.290 -9.420 9.471 1.00 0.00 H new ATOM 0 HB3 SER A 546 -9.309 -7.713 9.075 1.00 0.00 H new ATOM 0 HG SER A 546 -11.422 -8.667 8.949 1.00 0.00 H new ATOM 260 N PRO A 547 -6.256 -8.209 6.788 1.00 0.00 N ATOM 261 CA PRO A 547 -5.002 -7.482 6.882 1.00 0.00 C ATOM 262 C PRO A 547 -5.213 -5.988 6.630 1.00 0.00 C ATOM 263 O PRO A 547 -6.055 -5.605 5.819 1.00 0.00 O ATOM 264 CB PRO A 547 -4.091 -8.135 5.854 1.00 0.00 C ATOM 265 CG PRO A 547 -5.008 -8.889 4.905 1.00 0.00 C ATOM 266 CD PRO A 547 -6.380 -8.977 5.553 1.00 0.00 C ATOM 0 HA PRO A 547 -4.560 -7.533 7.877 1.00 0.00 H new ATOM 0 HB2 PRO A 547 -3.506 -7.387 5.320 1.00 0.00 H new ATOM 0 HB3 PRO A 547 -3.383 -8.811 6.333 1.00 0.00 H new ATOM 0 HG2 PRO A 547 -5.071 -8.375 3.946 1.00 0.00 H new ATOM 0 HG3 PRO A 547 -4.615 -9.886 4.706 1.00 0.00 H new ATOM 0 HD2 PRO A 547 -7.152 -8.562 4.904 1.00 0.00 H new ATOM 0 HD3 PRO A 547 -6.657 -10.012 5.756 1.00 0.00 H new ATOM 274 N TYR A 548 -4.435 -5.185 7.340 1.00 0.00 N ATOM 275 CA TYR A 548 -4.527 -3.741 7.204 1.00 0.00 C ATOM 276 C TYR A 548 -3.199 -3.150 6.726 1.00 0.00 C ATOM 277 O TYR A 548 -2.131 -3.657 7.068 1.00 0.00 O ATOM 278 CB TYR A 548 -4.837 -3.204 8.603 1.00 0.00 C ATOM 279 CG TYR A 548 -6.310 -2.857 8.823 1.00 0.00 C ATOM 280 CD1 TYR A 548 -6.770 -1.588 8.536 1.00 0.00 C ATOM 281 CD2 TYR A 548 -7.179 -3.812 9.310 1.00 0.00 C ATOM 282 CE1 TYR A 548 -8.157 -1.261 8.744 1.00 0.00 C ATOM 283 CE2 TYR A 548 -8.566 -3.485 9.517 1.00 0.00 C ATOM 284 CZ TYR A 548 -8.987 -2.226 9.224 1.00 0.00 C ATOM 285 OH TYR A 548 -10.297 -1.917 9.420 1.00 0.00 O ATOM 0 H TYR A 548 -3.738 -5.507 8.011 1.00 0.00 H new ATOM 0 HA TYR A 548 -5.291 -3.472 6.475 1.00 0.00 H new ATOM 0 HB2 TYR A 548 -4.535 -3.947 9.341 1.00 0.00 H new ATOM 0 HB3 TYR A 548 -4.234 -2.314 8.781 1.00 0.00 H new ATOM 0 HD1 TYR A 548 -6.090 -0.840 8.155 1.00 0.00 H new ATOM 0 HD2 TYR A 548 -6.819 -4.805 9.536 1.00 0.00 H new ATOM 0 HE1 TYR A 548 -8.530 -0.272 8.524 1.00 0.00 H new ATOM 0 HE2 TYR A 548 -9.257 -4.224 9.897 1.00 0.00 H new ATOM 0 HH TYR A 548 -10.770 -2.703 9.765 1.00 0.00 H new ATOM 295 N ILE A 549 -3.308 -2.087 5.944 1.00 0.00 N ATOM 296 CA ILE A 549 -2.129 -1.421 5.416 1.00 0.00 C ATOM 297 C ILE A 549 -2.068 0.007 5.961 1.00 0.00 C ATOM 298 O ILE A 549 -3.099 0.658 6.125 1.00 0.00 O ATOM 299 CB ILE A 549 -2.110 -1.498 3.888 1.00 0.00 C ATOM 300 CG1 ILE A 549 -1.340 -0.319 3.290 1.00 0.00 C ATOM 301 CG2 ILE A 549 -3.529 -1.600 3.326 1.00 0.00 C ATOM 302 CD1 ILE A 549 -0.855 -0.642 1.875 1.00 0.00 C ATOM 0 H ILE A 549 -4.195 -1.670 5.663 1.00 0.00 H new ATOM 0 HA ILE A 549 -1.223 -1.928 5.749 1.00 0.00 H new ATOM 0 HB ILE A 549 -1.583 -2.407 3.598 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -1.980 0.563 3.267 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -0.487 -0.078 3.924 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -3.487 -1.653 2.238 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -4.011 -2.497 3.715 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -4.102 -0.722 3.624 1.00 0.00 H new ATOM 0 HD11 ILE A 549 -0.311 0.213 1.473 1.00 0.00 H new ATOM 0 HD12 ILE A 549 -0.196 -1.510 1.905 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -1.712 -0.859 1.237 1.00 0.00 H new ATOM 314 N HIS A 550 -0.849 0.453 6.227 1.00 0.00 N ATOM 315 CA HIS A 550 -0.640 1.793 6.750 1.00 0.00 C ATOM 316 C HIS A 550 0.405 2.518 5.901 1.00 0.00 C ATOM 317 O HIS A 550 1.554 2.086 5.821 1.00 0.00 O ATOM 318 CB HIS A 550 -0.270 1.745 8.234 1.00 0.00 C ATOM 319 CG HIS A 550 -0.345 3.083 8.929 1.00 0.00 C ATOM 320 ND1 HIS A 550 0.294 3.547 10.041 1.00 0.00 N flip ATOM 321 CD2 HIS A 550 -1.154 4.114 8.485 1.00 0.00 C flip ATOM 322 CE1 HIS A 550 -0.101 4.794 10.263 1.00 0.00 C flip ATOM 323 NE2 HIS A 550 -0.999 5.148 9.299 1.00 0.00 N flip ATOM 0 H HIS A 550 0.004 -0.089 6.090 1.00 0.00 H new ATOM 0 HA HIS A 550 -1.568 2.362 6.685 1.00 0.00 H new ATOM 0 HB2 HIS A 550 -0.935 1.046 8.741 1.00 0.00 H new ATOM 0 HB3 HIS A 550 0.742 1.352 8.333 1.00 0.00 H new ATOM 0 HD1 HIS A 550 0.963 3.024 10.606 1.00 0.00 H new ATOM 0 HD2 HIS A 550 -1.802 4.081 7.622 1.00 0.00 H new ATOM 0 HE1 HIS A 550 0.233 5.425 11.073 1.00 0.00 H new ATOM 331 N TYR A 551 -0.030 3.609 5.287 1.00 0.00 N ATOM 332 CA TYR A 551 0.853 4.398 4.447 1.00 0.00 C ATOM 333 C TYR A 551 0.781 5.881 4.816 1.00 0.00 C ATOM 334 O TYR A 551 -0.177 6.321 5.449 1.00 0.00 O ATOM 335 CB TYR A 551 0.347 4.217 3.015 1.00 0.00 C ATOM 336 CG TYR A 551 -1.155 3.944 2.916 1.00 0.00 C ATOM 337 CD1 TYR A 551 -2.059 4.926 3.265 1.00 0.00 C ATOM 338 CD2 TYR A 551 -1.606 2.715 2.477 1.00 0.00 C ATOM 339 CE1 TYR A 551 -3.473 4.669 3.172 1.00 0.00 C ATOM 340 CE2 TYR A 551 -3.020 2.459 2.384 1.00 0.00 C ATOM 341 CZ TYR A 551 -3.884 3.448 2.736 1.00 0.00 C ATOM 342 OH TYR A 551 -5.219 3.206 2.648 1.00 0.00 O ATOM 0 H TYR A 551 -0.984 3.965 5.355 1.00 0.00 H new ATOM 0 HA TYR A 551 1.887 4.076 4.569 1.00 0.00 H new ATOM 0 HB2 TYR A 551 0.581 5.114 2.442 1.00 0.00 H new ATOM 0 HB3 TYR A 551 0.887 3.392 2.551 1.00 0.00 H new ATOM 0 HD1 TYR A 551 -1.706 5.887 3.608 1.00 0.00 H new ATOM 0 HD2 TYR A 551 -0.899 1.946 2.204 1.00 0.00 H new ATOM 0 HE1 TYR A 551 -4.191 5.429 3.442 1.00 0.00 H new ATOM 0 HE2 TYR A 551 -3.386 1.502 2.042 1.00 0.00 H new ATOM 0 HH TYR A 551 -5.599 3.732 1.914 1.00 0.00 H new ATOM 352 N ARG A 552 1.808 6.611 4.406 1.00 0.00 N ATOM 353 CA ARG A 552 1.873 8.035 4.685 1.00 0.00 C ATOM 354 C ARG A 552 2.388 8.794 3.460 1.00 0.00 C ATOM 355 O ARG A 552 3.113 8.235 2.639 1.00 0.00 O ATOM 356 CB ARG A 552 2.790 8.321 5.876 1.00 0.00 C ATOM 357 CG ARG A 552 3.863 9.348 5.508 1.00 0.00 C ATOM 358 CD ARG A 552 4.684 9.747 6.735 1.00 0.00 C ATOM 359 NE ARG A 552 5.834 10.584 6.325 1.00 0.00 N ATOM 360 CZ ARG A 552 6.628 11.255 7.187 1.00 0.00 C ATOM 361 NH1 ARG A 552 6.402 11.194 8.516 1.00 0.00 N ATOM 362 NH2 ARG A 552 7.628 11.973 6.709 1.00 0.00 N ATOM 0 H ARG A 552 2.602 6.242 3.883 1.00 0.00 H new ATOM 0 HA ARG A 552 0.865 8.372 4.927 1.00 0.00 H new ATOM 0 HB2 ARG A 552 2.199 8.691 6.714 1.00 0.00 H new ATOM 0 HB3 ARG A 552 3.264 7.396 6.205 1.00 0.00 H new ATOM 0 HG2 ARG A 552 4.521 8.934 4.745 1.00 0.00 H new ATOM 0 HG3 ARG A 552 3.393 10.232 5.078 1.00 0.00 H new ATOM 0 HD2 ARG A 552 4.058 10.295 7.439 1.00 0.00 H new ATOM 0 HD3 ARG A 552 5.039 8.855 7.251 1.00 0.00 H new ATOM 0 HE ARG A 552 6.040 10.659 5.329 1.00 0.00 H new ATOM 0 HH11 ARG A 552 5.627 10.638 8.876 1.00 0.00 H new ATOM 0 HH12 ARG A 552 7.007 11.704 9.160 1.00 0.00 H new ATOM 0 HH21 ARG A 552 7.791 12.014 5.703 1.00 0.00 H new ATOM 0 HH22 ARG A 552 8.238 12.486 7.346 1.00 0.00 H new ATOM 375 N PRO A 553 1.982 10.089 3.374 1.00 0.00 N ATOM 376 CA PRO A 553 2.394 10.930 2.263 1.00 0.00 C ATOM 377 C PRO A 553 3.854 11.362 2.415 1.00 0.00 C ATOM 378 O PRO A 553 4.371 11.436 3.529 1.00 0.00 O ATOM 379 CB PRO A 553 1.424 12.100 2.275 1.00 0.00 C ATOM 380 CG PRO A 553 0.802 12.112 3.661 1.00 0.00 C ATOM 381 CD PRO A 553 1.122 10.784 4.328 1.00 0.00 C ATOM 0 HA PRO A 553 2.358 10.410 1.306 1.00 0.00 H new ATOM 0 HB2 PRO A 553 1.941 13.038 2.071 1.00 0.00 H new ATOM 0 HB3 PRO A 553 0.661 11.982 1.506 1.00 0.00 H new ATOM 0 HG2 PRO A 553 1.198 12.940 4.250 1.00 0.00 H new ATOM 0 HG3 PRO A 553 -0.276 12.255 3.594 1.00 0.00 H new ATOM 0 HD2 PRO A 553 1.627 10.932 5.282 1.00 0.00 H new ATOM 0 HD3 PRO A 553 0.215 10.214 4.532 1.00 0.00 H new ATOM 389 N ALA A 554 4.478 11.636 1.279 1.00 0.00 N ATOM 390 CA ALA A 554 5.868 12.059 1.271 1.00 0.00 C ATOM 391 C ALA A 554 6.192 12.755 2.594 1.00 0.00 C ATOM 392 O ALA A 554 6.871 12.188 3.449 1.00 0.00 O ATOM 393 CB ALA A 554 6.122 12.959 0.061 1.00 0.00 C ATOM 0 H ALA A 554 4.046 11.573 0.357 1.00 0.00 H new ATOM 0 HA ALA A 554 6.530 11.198 1.180 1.00 0.00 H new ATOM 0 HB1 ALA A 554 7.165 13.276 0.056 1.00 0.00 H new ATOM 0 HB2 ALA A 554 5.906 12.408 -0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 554 5.477 13.836 0.118 1.00 0.00 H new ATOM 399 N GLY A 555 5.691 13.975 2.722 1.00 0.00 N ATOM 400 CA GLY A 555 5.918 14.755 3.927 1.00 0.00 C ATOM 401 C GLY A 555 4.604 15.318 4.472 1.00 0.00 C ATOM 402 O GLY A 555 4.248 16.460 4.186 1.00 0.00 O ATOM 0 H GLY A 555 5.129 14.443 2.011 1.00 0.00 H new ATOM 0 HA2 GLY A 555 6.392 14.131 4.684 1.00 0.00 H new ATOM 0 HA3 GLY A 555 6.606 15.572 3.711 1.00 0.00 H new ATOM 406 N GLY A 556 3.919 14.491 5.247 1.00 0.00 N ATOM 407 CA GLY A 556 2.652 14.891 5.835 1.00 0.00 C ATOM 408 C GLY A 556 2.510 14.344 7.257 1.00 0.00 C ATOM 409 O GLY A 556 2.932 14.985 8.218 1.00 0.00 O ATOM 0 H GLY A 556 4.218 13.544 5.482 1.00 0.00 H new ATOM 0 HA2 GLY A 556 2.582 15.979 5.851 1.00 0.00 H new ATOM 0 HA3 GLY A 556 1.830 14.528 5.218 1.00 0.00 H new ATOM 413 N SER A 557 1.913 13.164 7.345 1.00 0.00 N ATOM 414 CA SER A 557 1.710 12.523 8.633 1.00 0.00 C ATOM 415 C SER A 557 1.363 11.047 8.434 1.00 0.00 C ATOM 416 O SER A 557 1.291 10.569 7.303 1.00 0.00 O ATOM 417 CB SER A 557 0.607 13.225 9.429 1.00 0.00 C ATOM 418 OG SER A 557 0.281 12.520 10.624 1.00 0.00 O ATOM 0 H SER A 557 1.564 12.636 6.546 1.00 0.00 H new ATOM 0 HA SER A 557 2.636 12.598 9.202 1.00 0.00 H new ATOM 0 HB2 SER A 557 0.928 14.236 9.680 1.00 0.00 H new ATOM 0 HB3 SER A 557 -0.284 13.319 8.809 1.00 0.00 H new ATOM 0 HG SER A 557 -0.425 13.000 11.105 1.00 0.00 H new ATOM 424 N TRP A 558 1.157 10.364 9.551 1.00 0.00 N ATOM 425 CA TRP A 558 0.820 8.951 9.513 1.00 0.00 C ATOM 426 C TRP A 558 -0.660 8.809 9.874 1.00 0.00 C ATOM 427 O TRP A 558 -1.060 9.105 10.999 1.00 0.00 O ATOM 428 CB TRP A 558 1.739 8.143 10.431 1.00 0.00 C ATOM 429 CG TRP A 558 3.072 7.753 9.790 1.00 0.00 C ATOM 430 CD1 TRP A 558 4.268 8.336 9.951 1.00 0.00 C ATOM 431 CD2 TRP A 558 3.298 6.662 8.872 1.00 0.00 C ATOM 432 NE1 TRP A 558 5.244 7.703 9.208 1.00 0.00 N ATOM 433 CE2 TRP A 558 4.635 6.653 8.531 1.00 0.00 C ATOM 434 CE3 TRP A 558 2.402 5.714 8.348 1.00 0.00 C ATOM 435 CZ2 TRP A 558 5.196 5.718 7.653 1.00 0.00 C ATOM 436 CZ3 TRP A 558 2.978 4.786 7.472 1.00 0.00 C ATOM 437 CH2 TRP A 558 4.322 4.764 7.118 1.00 0.00 C ATOM 0 H TRP A 558 1.217 10.763 10.488 1.00 0.00 H new ATOM 0 HA TRP A 558 0.976 8.544 8.514 1.00 0.00 H new ATOM 0 HB2 TRP A 558 1.937 8.723 11.332 1.00 0.00 H new ATOM 0 HB3 TRP A 558 1.219 7.237 10.743 1.00 0.00 H new ATOM 0 HD1 TRP A 558 4.446 9.194 10.583 1.00 0.00 H new ATOM 0 HE1 TRP A 558 6.230 7.959 9.164 1.00 0.00 H new ATOM 0 HE3 TRP A 558 1.352 5.702 8.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 558 6.246 5.732 7.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 558 2.333 4.035 7.041 1.00 0.00 H new ATOM 0 HH2 TRP A 558 4.690 4.014 6.433 1.00 0.00 H new ATOM 448 N THR A 559 -1.433 8.355 8.898 1.00 0.00 N ATOM 449 CA THR A 559 -2.860 8.170 9.098 1.00 0.00 C ATOM 450 C THR A 559 -3.123 7.442 10.418 1.00 0.00 C ATOM 451 O THR A 559 -2.188 7.002 11.086 1.00 0.00 O ATOM 452 CB THR A 559 -3.417 7.435 7.878 1.00 0.00 C ATOM 453 OG1 THR A 559 -2.918 8.176 6.768 1.00 0.00 O ATOM 454 CG2 THR A 559 -4.937 7.565 7.759 1.00 0.00 C ATOM 0 H THR A 559 -1.098 8.110 7.966 1.00 0.00 H new ATOM 0 HA THR A 559 -3.375 9.127 9.182 1.00 0.00 H new ATOM 0 HB THR A 559 -3.146 6.381 7.935 1.00 0.00 H new ATOM 0 HG1 THR A 559 -3.230 7.766 5.934 1.00 0.00 H new ATOM 0 HG21 THR A 559 -5.280 7.025 6.877 1.00 0.00 H new ATOM 0 HG22 THR A 559 -5.409 7.145 8.647 1.00 0.00 H new ATOM 0 HG23 THR A 559 -5.206 8.617 7.668 1.00 0.00 H new ATOM 462 N ALA A 560 -4.400 7.338 10.755 1.00 0.00 N ATOM 463 CA ALA A 560 -4.798 6.671 11.983 1.00 0.00 C ATOM 464 C ALA A 560 -4.591 5.163 11.830 1.00 0.00 C ATOM 465 O ALA A 560 -5.336 4.500 11.110 1.00 0.00 O ATOM 466 CB ALA A 560 -6.249 7.030 12.312 1.00 0.00 C ATOM 0 H ALA A 560 -5.173 7.704 10.199 1.00 0.00 H new ATOM 0 HA ALA A 560 -4.182 7.005 12.818 1.00 0.00 H new ATOM 0 HB1 ALA A 560 -6.548 6.530 13.233 1.00 0.00 H new ATOM 0 HB2 ALA A 560 -6.337 8.109 12.440 1.00 0.00 H new ATOM 0 HB3 ALA A 560 -6.897 6.707 11.497 1.00 0.00 H new ATOM 472 N ALA A 561 -3.575 4.665 12.519 1.00 0.00 N ATOM 473 CA ALA A 561 -3.260 3.247 12.469 1.00 0.00 C ATOM 474 C ALA A 561 -4.383 2.455 13.142 1.00 0.00 C ATOM 475 O ALA A 561 -4.846 2.822 14.221 1.00 0.00 O ATOM 476 CB ALA A 561 -1.900 3.002 13.125 1.00 0.00 C ATOM 0 H ALA A 561 -2.959 5.218 13.115 1.00 0.00 H new ATOM 0 HA ALA A 561 -3.190 2.906 11.436 1.00 0.00 H new ATOM 0 HB1 ALA A 561 -1.664 1.938 13.087 1.00 0.00 H new ATOM 0 HB2 ALA A 561 -1.132 3.563 12.592 1.00 0.00 H new ATOM 0 HB3 ALA A 561 -1.933 3.330 14.164 1.00 0.00 H new ATOM 482 N PRO A 562 -4.800 1.355 12.459 1.00 0.00 N ATOM 483 CA PRO A 562 -4.199 0.992 11.187 1.00 0.00 C ATOM 484 C PRO A 562 -4.685 1.914 10.068 1.00 0.00 C ATOM 485 O PRO A 562 -5.816 2.395 10.102 1.00 0.00 O ATOM 486 CB PRO A 562 -4.586 -0.462 10.971 1.00 0.00 C ATOM 487 CG PRO A 562 -5.768 -0.720 11.891 1.00 0.00 C ATOM 488 CD PRO A 562 -5.850 0.432 12.879 1.00 0.00 C ATOM 0 HA PRO A 562 -3.115 1.106 11.185 1.00 0.00 H new ATOM 0 HB2 PRO A 562 -4.854 -0.644 9.930 1.00 0.00 H new ATOM 0 HB3 PRO A 562 -3.755 -1.127 11.207 1.00 0.00 H new ATOM 0 HG2 PRO A 562 -6.690 -0.795 11.315 1.00 0.00 H new ATOM 0 HG3 PRO A 562 -5.643 -1.666 12.417 1.00 0.00 H new ATOM 0 HD2 PRO A 562 -6.830 0.908 12.852 1.00 0.00 H new ATOM 0 HD3 PRO A 562 -5.690 0.089 13.901 1.00 0.00 H new ATOM 496 N GLY A 563 -3.806 2.132 9.100 1.00 0.00 N ATOM 497 CA GLY A 563 -4.132 2.987 7.972 1.00 0.00 C ATOM 498 C GLY A 563 -5.545 2.704 7.459 1.00 0.00 C ATOM 499 O GLY A 563 -6.525 3.173 8.037 1.00 0.00 O ATOM 0 H GLY A 563 -2.869 1.731 9.074 1.00 0.00 H new ATOM 0 HA2 GLY A 563 -4.052 4.033 8.269 1.00 0.00 H new ATOM 0 HA3 GLY A 563 -3.411 2.827 7.170 1.00 0.00 H new ATOM 503 N VAL A 564 -5.606 1.939 6.380 1.00 0.00 N ATOM 504 CA VAL A 564 -6.883 1.588 5.782 1.00 0.00 C ATOM 505 C VAL A 564 -6.883 0.100 5.426 1.00 0.00 C ATOM 506 O VAL A 564 -5.823 -0.504 5.268 1.00 0.00 O ATOM 507 CB VAL A 564 -7.165 2.491 4.579 1.00 0.00 C ATOM 508 CG1 VAL A 564 -8.668 2.610 4.323 1.00 0.00 C ATOM 509 CG2 VAL A 564 -6.529 3.869 4.768 1.00 0.00 C ATOM 0 H VAL A 564 -4.791 1.552 5.904 1.00 0.00 H new ATOM 0 HA VAL A 564 -7.694 1.753 6.491 1.00 0.00 H new ATOM 0 HB VAL A 564 -6.712 2.031 3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 564 -8.840 3.257 3.463 1.00 0.00 H new ATOM 0 HG12 VAL A 564 -9.082 1.622 4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 564 -9.154 3.036 5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 564 -6.744 4.491 3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 564 -6.939 4.339 5.662 1.00 0.00 H new ATOM 0 HG23 VAL A 564 -5.450 3.760 4.878 1.00 0.00 H new ATOM 519 N LYS A 565 -8.084 -0.448 5.310 1.00 0.00 N ATOM 520 CA LYS A 565 -8.235 -1.854 4.975 1.00 0.00 C ATOM 521 C LYS A 565 -8.210 -2.017 3.454 1.00 0.00 C ATOM 522 O LYS A 565 -9.094 -1.520 2.758 1.00 0.00 O ATOM 523 CB LYS A 565 -9.490 -2.430 5.635 1.00 0.00 C ATOM 524 CG LYS A 565 -9.716 -3.882 5.209 1.00 0.00 C ATOM 525 CD LYS A 565 -9.388 -4.846 6.351 1.00 0.00 C ATOM 526 CE LYS A 565 -9.849 -6.266 6.019 1.00 0.00 C ATOM 527 NZ LYS A 565 -8.961 -6.876 5.003 1.00 0.00 N ATOM 0 H LYS A 565 -8.961 0.056 5.442 1.00 0.00 H new ATOM 0 HA LYS A 565 -7.400 -2.432 5.372 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -9.392 -2.376 6.719 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -10.357 -1.828 5.363 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -10.753 -4.017 4.901 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -9.094 -4.112 4.344 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -8.314 -4.843 6.537 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -9.872 -4.508 7.267 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -9.849 -6.875 6.923 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -10.874 -6.245 5.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -9.236 -7.867 4.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -9.046 -6.352 4.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -7.976 -6.837 5.335 1.00 0.00 H new ATOM 540 N MET A 566 -7.188 -2.716 2.983 1.00 0.00 N ATOM 541 CA MET A 566 -7.036 -2.951 1.557 1.00 0.00 C ATOM 542 C MET A 566 -8.399 -3.093 0.876 1.00 0.00 C ATOM 543 O MET A 566 -9.359 -3.555 1.491 1.00 0.00 O ATOM 544 CB MET A 566 -6.218 -4.225 1.333 1.00 0.00 C ATOM 545 CG MET A 566 -4.731 -3.902 1.180 1.00 0.00 C ATOM 546 SD MET A 566 -4.265 -3.976 -0.542 1.00 0.00 S ATOM 547 CE MET A 566 -2.673 -3.170 -0.467 1.00 0.00 C ATOM 0 H MET A 566 -6.457 -3.127 3.563 1.00 0.00 H new ATOM 0 HA MET A 566 -6.520 -2.096 1.120 1.00 0.00 H new ATOM 0 HB2 MET A 566 -6.361 -4.906 2.172 1.00 0.00 H new ATOM 0 HB3 MET A 566 -6.576 -4.739 0.441 1.00 0.00 H new ATOM 0 HG2 MET A 566 -4.523 -2.909 1.579 1.00 0.00 H new ATOM 0 HG3 MET A 566 -4.135 -4.609 1.757 1.00 0.00 H new ATOM 0 HE1 MET A 566 -2.334 -2.939 -1.477 1.00 0.00 H new ATOM 0 HE2 MET A 566 -2.759 -2.247 0.107 1.00 0.00 H new ATOM 0 HE3 MET A 566 -1.953 -3.831 0.015 1.00 0.00 H new ATOM 557 N GLN A 567 -8.440 -2.687 -0.384 1.00 0.00 N ATOM 558 CA GLN A 567 -9.669 -2.763 -1.155 1.00 0.00 C ATOM 559 C GLN A 567 -9.485 -3.692 -2.358 1.00 0.00 C ATOM 560 O GLN A 567 -8.766 -3.359 -3.298 1.00 0.00 O ATOM 561 CB GLN A 567 -10.124 -1.372 -1.601 1.00 0.00 C ATOM 562 CG GLN A 567 -10.915 -0.673 -0.493 1.00 0.00 C ATOM 563 CD GLN A 567 -12.412 -0.957 -0.626 1.00 0.00 C ATOM 564 OE1 GLN A 567 -12.971 -0.988 -1.710 1.00 0.00 O ATOM 565 NE2 GLN A 567 -13.029 -1.161 0.535 1.00 0.00 N ATOM 0 H GLN A 567 -7.642 -2.304 -0.891 1.00 0.00 H new ATOM 0 HA GLN A 567 -10.450 -3.177 -0.517 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -9.256 -0.770 -1.868 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -10.741 -1.457 -2.496 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -10.562 -1.013 0.481 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -10.740 0.402 -0.539 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -12.501 -1.121 1.407 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -14.030 -1.358 0.553 1.00 0.00 H new ATOM 574 N ASP A 568 -10.148 -4.837 -2.288 1.00 0.00 N ATOM 575 CA ASP A 568 -10.067 -5.815 -3.359 1.00 0.00 C ATOM 576 C ASP A 568 -10.009 -5.088 -4.704 1.00 0.00 C ATOM 577 O ASP A 568 -10.640 -4.047 -4.879 1.00 0.00 O ATOM 578 CB ASP A 568 -11.295 -6.727 -3.367 1.00 0.00 C ATOM 579 CG ASP A 568 -12.418 -6.291 -4.309 1.00 0.00 C ATOM 580 OD1 ASP A 568 -12.733 -6.981 -5.290 1.00 0.00 O ATOM 581 OD2 ASP A 568 -12.988 -5.176 -3.999 1.00 0.00 O ATOM 0 H ASP A 568 -10.744 -5.109 -1.506 1.00 0.00 H new ATOM 0 HA ASP A 568 -9.172 -6.417 -3.199 1.00 0.00 H new ATOM 0 HB2 ASP A 568 -10.980 -7.733 -3.643 1.00 0.00 H new ATOM 0 HB3 ASP A 568 -11.693 -6.784 -2.354 1.00 0.00 H new ATOM 587 N ALA A 569 -9.246 -5.666 -5.621 1.00 0.00 N ATOM 588 CA ALA A 569 -9.098 -5.087 -6.945 1.00 0.00 C ATOM 589 C ALA A 569 -10.243 -5.569 -7.839 1.00 0.00 C ATOM 590 O ALA A 569 -11.340 -5.842 -7.355 1.00 0.00 O ATOM 591 CB ALA A 569 -7.724 -5.450 -7.510 1.00 0.00 C ATOM 0 H ALA A 569 -8.724 -6.530 -5.472 1.00 0.00 H new ATOM 0 HA ALA A 569 -9.153 -3.999 -6.897 1.00 0.00 H new ATOM 0 HB1 ALA A 569 -7.613 -5.016 -8.504 1.00 0.00 H new ATOM 0 HB2 ALA A 569 -6.946 -5.059 -6.854 1.00 0.00 H new ATOM 0 HB3 ALA A 569 -7.632 -6.534 -7.576 1.00 0.00 H new ATOM 597 N GLU A 570 -9.947 -5.659 -9.127 1.00 0.00 N ATOM 598 CA GLU A 570 -10.937 -6.103 -10.093 1.00 0.00 C ATOM 599 C GLU A 570 -10.450 -7.363 -10.812 1.00 0.00 C ATOM 600 O GLU A 570 -11.051 -7.794 -11.794 1.00 0.00 O ATOM 601 CB GLU A 570 -11.264 -4.993 -11.093 1.00 0.00 C ATOM 602 CG GLU A 570 -10.055 -4.677 -11.977 1.00 0.00 C ATOM 603 CD GLU A 570 -10.381 -3.563 -12.974 1.00 0.00 C ATOM 604 OE1 GLU A 570 -9.928 -2.423 -12.798 1.00 0.00 O ATOM 605 OE2 GLU A 570 -11.133 -3.917 -13.960 1.00 0.00 O ATOM 0 H GLU A 570 -9.035 -5.432 -9.524 1.00 0.00 H new ATOM 0 HA GLU A 570 -11.855 -6.346 -9.557 1.00 0.00 H new ATOM 0 HB2 GLU A 570 -12.105 -5.296 -11.716 1.00 0.00 H new ATOM 0 HB3 GLU A 570 -11.572 -4.095 -10.557 1.00 0.00 H new ATOM 0 HG2 GLU A 570 -9.213 -4.377 -11.354 1.00 0.00 H new ATOM 0 HG3 GLU A 570 -9.749 -5.574 -12.516 1.00 0.00 H new ATOM 613 N ILE A 571 -9.364 -7.918 -10.294 1.00 0.00 N ATOM 614 CA ILE A 571 -8.789 -9.120 -10.874 1.00 0.00 C ATOM 615 C ILE A 571 -9.542 -10.345 -10.351 1.00 0.00 C ATOM 616 O ILE A 571 -10.506 -10.795 -10.967 1.00 0.00 O ATOM 617 CB ILE A 571 -7.281 -9.170 -10.618 1.00 0.00 C ATOM 618 CG1 ILE A 571 -6.590 -7.919 -11.165 1.00 0.00 C ATOM 619 CG2 ILE A 571 -6.671 -10.455 -11.182 1.00 0.00 C ATOM 620 CD1 ILE A 571 -6.684 -7.865 -12.691 1.00 0.00 C ATOM 0 H ILE A 571 -8.867 -7.558 -9.479 1.00 0.00 H new ATOM 0 HA ILE A 571 -8.905 -9.113 -11.958 1.00 0.00 H new ATOM 0 HB ILE A 571 -7.118 -9.183 -9.540 1.00 0.00 H new ATOM 0 HG12 ILE A 571 -7.050 -7.028 -10.737 1.00 0.00 H new ATOM 0 HG13 ILE A 571 -5.543 -7.915 -10.861 1.00 0.00 H new ATOM 0 HG21 ILE A 571 -5.599 -10.465 -10.987 1.00 0.00 H new ATOM 0 HG22 ILE A 571 -7.135 -11.318 -10.705 1.00 0.00 H new ATOM 0 HG23 ILE A 571 -6.844 -10.499 -12.257 1.00 0.00 H new ATOM 0 HD11 ILE A 571 -6.185 -6.967 -13.055 1.00 0.00 H new ATOM 0 HD12 ILE A 571 -6.202 -8.745 -13.117 1.00 0.00 H new ATOM 0 HD13 ILE A 571 -7.732 -7.845 -12.991 1.00 0.00 H new ATOM 632 N SER A 572 -9.073 -10.849 -9.219 1.00 0.00 N ATOM 633 CA SER A 572 -9.690 -12.013 -8.606 1.00 0.00 C ATOM 634 C SER A 572 -8.826 -12.515 -7.448 1.00 0.00 C ATOM 635 O SER A 572 -7.893 -13.289 -7.655 1.00 0.00 O ATOM 636 CB SER A 572 -9.903 -13.128 -9.631 1.00 0.00 C ATOM 637 OG SER A 572 -11.254 -13.582 -9.654 1.00 0.00 O ATOM 0 H SER A 572 -8.273 -10.473 -8.710 1.00 0.00 H new ATOM 0 HA SER A 572 -10.667 -11.719 -8.221 1.00 0.00 H new ATOM 0 HB2 SER A 572 -9.625 -12.768 -10.621 1.00 0.00 H new ATOM 0 HB3 SER A 572 -9.244 -13.964 -9.399 1.00 0.00 H new ATOM 0 HG SER A 572 -11.349 -14.292 -10.322 1.00 0.00 H new ATOM 643 N GLY A 573 -9.166 -12.053 -6.253 1.00 0.00 N ATOM 644 CA GLY A 573 -8.432 -12.446 -5.062 1.00 0.00 C ATOM 645 C GLY A 573 -7.272 -11.486 -4.792 1.00 0.00 C ATOM 646 O GLY A 573 -6.429 -11.751 -3.936 1.00 0.00 O ATOM 0 H GLY A 573 -9.940 -11.410 -6.084 1.00 0.00 H new ATOM 0 HA2 GLY A 573 -9.104 -12.460 -4.204 1.00 0.00 H new ATOM 0 HA3 GLY A 573 -8.049 -13.459 -5.184 1.00 0.00 H new ATOM 650 N TYR A 574 -7.266 -10.391 -5.537 1.00 0.00 N ATOM 651 CA TYR A 574 -6.223 -9.390 -5.389 1.00 0.00 C ATOM 652 C TYR A 574 -6.737 -8.172 -4.620 1.00 0.00 C ATOM 653 O TYR A 574 -7.943 -7.935 -4.560 1.00 0.00 O ATOM 654 CB TYR A 574 -5.845 -8.960 -6.808 1.00 0.00 C ATOM 655 CG TYR A 574 -4.738 -9.805 -7.440 1.00 0.00 C ATOM 656 CD1 TYR A 574 -4.863 -11.179 -7.493 1.00 0.00 C ATOM 657 CD2 TYR A 574 -3.614 -9.194 -7.958 1.00 0.00 C ATOM 658 CE1 TYR A 574 -3.820 -11.974 -8.088 1.00 0.00 C ATOM 659 CE2 TYR A 574 -2.571 -9.989 -8.553 1.00 0.00 C ATOM 660 CZ TYR A 574 -2.726 -11.340 -8.589 1.00 0.00 C ATOM 661 OH TYR A 574 -1.741 -12.091 -9.151 1.00 0.00 O ATOM 0 H TYR A 574 -7.967 -10.175 -6.245 1.00 0.00 H new ATOM 0 HA TYR A 574 -5.376 -9.798 -4.837 1.00 0.00 H new ATOM 0 HB2 TYR A 574 -6.732 -9.010 -7.440 1.00 0.00 H new ATOM 0 HB3 TYR A 574 -5.526 -7.918 -6.788 1.00 0.00 H new ATOM 0 HD1 TYR A 574 -5.743 -11.657 -7.088 1.00 0.00 H new ATOM 0 HD2 TYR A 574 -3.517 -8.119 -7.917 1.00 0.00 H new ATOM 0 HE1 TYR A 574 -3.905 -13.050 -8.135 1.00 0.00 H new ATOM 0 HE2 TYR A 574 -1.686 -9.523 -8.961 1.00 0.00 H new ATOM 0 HH TYR A 574 -1.022 -11.504 -9.467 1.00 0.00 H new ATOM 671 N ALA A 575 -5.798 -7.431 -4.051 1.00 0.00 N ATOM 672 CA ALA A 575 -6.141 -6.243 -3.288 1.00 0.00 C ATOM 673 C ALA A 575 -5.561 -5.010 -3.984 1.00 0.00 C ATOM 674 O ALA A 575 -4.546 -5.101 -4.672 1.00 0.00 O ATOM 675 CB ALA A 575 -5.634 -6.394 -1.852 1.00 0.00 C ATOM 0 H ALA A 575 -4.799 -7.630 -4.103 1.00 0.00 H new ATOM 0 HA ALA A 575 -7.223 -6.117 -3.240 1.00 0.00 H new ATOM 0 HB1 ALA A 575 -5.891 -5.503 -1.280 1.00 0.00 H new ATOM 0 HB2 ALA A 575 -6.098 -7.267 -1.392 1.00 0.00 H new ATOM 0 HB3 ALA A 575 -4.551 -6.520 -1.860 1.00 0.00 H new ATOM 681 N LYS A 576 -6.231 -3.885 -3.781 1.00 0.00 N ATOM 682 CA LYS A 576 -5.795 -2.635 -4.380 1.00 0.00 C ATOM 683 C LYS A 576 -6.274 -1.466 -3.517 1.00 0.00 C ATOM 684 O LYS A 576 -7.444 -1.404 -3.144 1.00 0.00 O ATOM 685 CB LYS A 576 -6.253 -2.552 -5.838 1.00 0.00 C ATOM 686 CG LYS A 576 -7.690 -2.034 -5.932 1.00 0.00 C ATOM 687 CD LYS A 576 -8.124 -1.885 -7.392 1.00 0.00 C ATOM 688 CE LYS A 576 -7.820 -0.479 -7.913 1.00 0.00 C ATOM 689 NZ LYS A 576 -8.173 -0.371 -9.347 1.00 0.00 N ATOM 0 H LYS A 576 -7.073 -3.813 -3.210 1.00 0.00 H new ATOM 0 HA LYS A 576 -4.707 -2.585 -4.408 1.00 0.00 H new ATOM 0 HB2 LYS A 576 -5.588 -1.892 -6.395 1.00 0.00 H new ATOM 0 HB3 LYS A 576 -6.186 -3.537 -6.301 1.00 0.00 H new ATOM 0 HG2 LYS A 576 -8.362 -2.720 -5.417 1.00 0.00 H new ATOM 0 HG3 LYS A 576 -7.768 -1.072 -5.426 1.00 0.00 H new ATOM 0 HD2 LYS A 576 -7.608 -2.624 -8.006 1.00 0.00 H new ATOM 0 HD3 LYS A 576 -9.192 -2.087 -7.480 1.00 0.00 H new ATOM 0 HE2 LYS A 576 -8.381 0.258 -7.338 1.00 0.00 H new ATOM 0 HE3 LYS A 576 -6.763 -0.254 -7.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 576 -7.961 0.589 -9.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 576 -7.619 -1.061 -9.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 576 -9.187 -0.565 -9.470 1.00 0.00 H new ATOM 702 N ILE A 577 -5.344 -0.569 -3.225 1.00 0.00 N ATOM 703 CA ILE A 577 -5.657 0.595 -2.412 1.00 0.00 C ATOM 704 C ILE A 577 -5.177 1.857 -3.132 1.00 0.00 C ATOM 705 O ILE A 577 -4.206 1.816 -3.885 1.00 0.00 O ATOM 706 CB ILE A 577 -5.082 0.435 -1.003 1.00 0.00 C ATOM 707 CG1 ILE A 577 -3.768 1.204 -0.856 1.00 0.00 C ATOM 708 CG2 ILE A 577 -4.926 -1.043 -0.640 1.00 0.00 C ATOM 709 CD1 ILE A 577 -4.013 2.714 -0.856 1.00 0.00 C ATOM 0 H ILE A 577 -4.374 -0.624 -3.536 1.00 0.00 H new ATOM 0 HA ILE A 577 -6.735 0.691 -2.282 1.00 0.00 H new ATOM 0 HB ILE A 577 -5.788 0.868 -0.294 1.00 0.00 H new ATOM 0 HG12 ILE A 577 -3.274 0.912 0.071 1.00 0.00 H new ATOM 0 HG13 ILE A 577 -3.095 0.941 -1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 577 -4.516 -1.129 0.366 1.00 0.00 H new ATOM 0 HG22 ILE A 577 -5.900 -1.532 -0.678 1.00 0.00 H new ATOM 0 HG23 ILE A 577 -4.252 -1.523 -1.349 1.00 0.00 H new ATOM 0 HD11 ILE A 577 -3.062 3.237 -0.750 1.00 0.00 H new ATOM 0 HD12 ILE A 577 -4.485 3.006 -1.794 1.00 0.00 H new ATOM 0 HD13 ILE A 577 -4.666 2.977 -0.024 1.00 0.00 H new ATOM 721 N THR A 578 -5.881 2.950 -2.874 1.00 0.00 N ATOM 722 CA THR A 578 -5.539 4.222 -3.487 1.00 0.00 C ATOM 723 C THR A 578 -5.409 5.311 -2.420 1.00 0.00 C ATOM 724 O THR A 578 -6.230 5.393 -1.508 1.00 0.00 O ATOM 725 CB THR A 578 -6.596 4.535 -4.548 1.00 0.00 C ATOM 726 OG1 THR A 578 -6.825 3.283 -5.189 1.00 0.00 O ATOM 727 CG2 THR A 578 -6.059 5.432 -5.664 1.00 0.00 C ATOM 0 H THR A 578 -6.686 2.981 -2.249 1.00 0.00 H new ATOM 0 HA THR A 578 -4.567 4.175 -3.979 1.00 0.00 H new ATOM 0 HB THR A 578 -7.452 5.017 -4.076 1.00 0.00 H new ATOM 0 HG1 THR A 578 -7.499 3.394 -5.891 1.00 0.00 H new ATOM 0 HG21 THR A 578 -6.850 5.623 -6.390 1.00 0.00 H new ATOM 0 HG22 THR A 578 -5.720 6.377 -5.240 1.00 0.00 H new ATOM 0 HG23 THR A 578 -5.224 4.936 -6.159 1.00 0.00 H new ATOM 735 N VAL A 579 -4.370 6.120 -2.570 1.00 0.00 N ATOM 736 CA VAL A 579 -4.121 7.200 -1.630 1.00 0.00 C ATOM 737 C VAL A 579 -3.876 8.497 -2.404 1.00 0.00 C ATOM 738 O VAL A 579 -3.038 8.538 -3.304 1.00 0.00 O ATOM 739 CB VAL A 579 -2.963 6.830 -0.702 1.00 0.00 C ATOM 740 CG1 VAL A 579 -2.627 7.985 0.243 1.00 0.00 C ATOM 741 CG2 VAL A 579 -3.275 5.553 0.082 1.00 0.00 C ATOM 0 H VAL A 579 -3.691 6.049 -3.328 1.00 0.00 H new ATOM 0 HA VAL A 579 -4.991 7.360 -0.993 1.00 0.00 H new ATOM 0 HB VAL A 579 -2.086 6.638 -1.321 1.00 0.00 H new ATOM 0 HG11 VAL A 579 -1.800 7.696 0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 579 -2.341 8.861 -0.340 1.00 0.00 H new ATOM 0 HG13 VAL A 579 -3.500 8.223 0.851 1.00 0.00 H new ATOM 0 HG21 VAL A 579 -2.435 5.312 0.734 1.00 0.00 H new ATOM 0 HG22 VAL A 579 -4.170 5.706 0.685 1.00 0.00 H new ATOM 0 HG23 VAL A 579 -3.442 4.731 -0.614 1.00 0.00 H new ATOM 751 N ASP A 580 -4.622 9.524 -2.026 1.00 0.00 N ATOM 752 CA ASP A 580 -4.496 10.819 -2.674 1.00 0.00 C ATOM 753 C ASP A 580 -3.277 11.550 -2.109 1.00 0.00 C ATOM 754 O ASP A 580 -2.925 11.369 -0.944 1.00 0.00 O ATOM 755 CB ASP A 580 -5.730 11.686 -2.415 1.00 0.00 C ATOM 756 CG ASP A 580 -6.546 12.038 -3.661 1.00 0.00 C ATOM 757 OD1 ASP A 580 -7.780 11.925 -3.669 1.00 0.00 O ATOM 758 OD2 ASP A 580 -5.852 12.449 -4.668 1.00 0.00 O ATOM 0 H ASP A 580 -5.316 9.486 -1.279 1.00 0.00 H new ATOM 0 HA ASP A 580 -4.391 10.652 -3.746 1.00 0.00 H new ATOM 0 HB2 ASP A 580 -6.378 11.167 -1.709 1.00 0.00 H new ATOM 0 HB3 ASP A 580 -5.411 12.611 -1.934 1.00 0.00 H new ATOM 764 N ILE A 581 -2.667 12.362 -2.960 1.00 0.00 N ATOM 765 CA ILE A 581 -1.494 13.121 -2.560 1.00 0.00 C ATOM 766 C ILE A 581 -1.330 14.325 -3.491 1.00 0.00 C ATOM 767 O ILE A 581 -0.347 14.416 -4.225 1.00 0.00 O ATOM 768 CB ILE A 581 -0.263 12.215 -2.502 1.00 0.00 C ATOM 769 CG1 ILE A 581 0.031 11.602 -3.873 1.00 0.00 C ATOM 770 CG2 ILE A 581 -0.418 11.147 -1.418 1.00 0.00 C ATOM 771 CD1 ILE A 581 1.181 10.596 -3.788 1.00 0.00 C ATOM 0 H ILE A 581 -2.963 12.511 -3.925 1.00 0.00 H new ATOM 0 HA ILE A 581 -1.619 13.513 -1.551 1.00 0.00 H new ATOM 0 HB ILE A 581 0.598 12.826 -2.231 1.00 0.00 H new ATOM 0 HG12 ILE A 581 -0.863 11.107 -4.253 1.00 0.00 H new ATOM 0 HG13 ILE A 581 0.285 12.391 -4.581 1.00 0.00 H new ATOM 0 HG21 ILE A 581 0.471 10.517 -1.398 1.00 0.00 H new ATOM 0 HG22 ILE A 581 -0.543 11.628 -0.448 1.00 0.00 H new ATOM 0 HG23 ILE A 581 -1.293 10.534 -1.634 1.00 0.00 H new ATOM 0 HD11 ILE A 581 1.370 10.175 -4.776 1.00 0.00 H new ATOM 0 HD12 ILE A 581 2.079 11.099 -3.430 1.00 0.00 H new ATOM 0 HD13 ILE A 581 0.914 9.796 -3.097 1.00 0.00 H new ATOM 783 N GLY A 582 -2.307 15.217 -3.430 1.00 0.00 N ATOM 784 CA GLY A 582 -2.282 16.411 -4.258 1.00 0.00 C ATOM 785 C GLY A 582 -1.158 17.354 -3.828 1.00 0.00 C ATOM 786 O GLY A 582 -1.396 18.532 -3.567 1.00 0.00 O ATOM 0 H GLY A 582 -3.121 15.137 -2.820 1.00 0.00 H new ATOM 0 HA2 GLY A 582 -2.146 16.130 -5.302 1.00 0.00 H new ATOM 0 HA3 GLY A 582 -3.240 16.926 -4.188 1.00 0.00 H new ATOM 790 N SER A 583 0.045 16.801 -3.767 1.00 0.00 N ATOM 791 CA SER A 583 1.207 17.578 -3.372 1.00 0.00 C ATOM 792 C SER A 583 2.285 16.655 -2.800 1.00 0.00 C ATOM 793 O SER A 583 2.903 16.971 -1.785 1.00 0.00 O ATOM 794 CB SER A 583 0.831 18.652 -2.349 1.00 0.00 C ATOM 795 OG SER A 583 0.618 19.921 -2.961 1.00 0.00 O ATOM 0 H SER A 583 0.240 15.824 -3.985 1.00 0.00 H new ATOM 0 HA SER A 583 1.599 18.079 -4.257 1.00 0.00 H new ATOM 0 HB2 SER A 583 -0.072 18.348 -1.820 1.00 0.00 H new ATOM 0 HB3 SER A 583 1.623 18.737 -1.605 1.00 0.00 H new ATOM 0 HG SER A 583 -0.256 19.928 -3.404 1.00 0.00 H new ATOM 801 N ALA A 584 2.476 15.532 -3.476 1.00 0.00 N ATOM 802 CA ALA A 584 3.468 14.560 -3.048 1.00 0.00 C ATOM 803 C ALA A 584 3.945 13.757 -4.259 1.00 0.00 C ATOM 804 O ALA A 584 3.158 13.446 -5.152 1.00 0.00 O ATOM 805 CB ALA A 584 2.872 13.669 -1.956 1.00 0.00 C ATOM 0 H ALA A 584 1.961 15.273 -4.317 1.00 0.00 H new ATOM 0 HA ALA A 584 4.337 15.061 -2.622 1.00 0.00 H new ATOM 0 HB1 ALA A 584 3.616 12.940 -1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 584 2.576 14.284 -1.106 1.00 0.00 H new ATOM 0 HB3 ALA A 584 1.999 13.148 -2.348 1.00 0.00 H new ATOM 811 N SER A 585 5.233 13.443 -4.251 1.00 0.00 N ATOM 812 CA SER A 585 5.824 12.681 -5.338 1.00 0.00 C ATOM 813 C SER A 585 6.272 11.309 -4.833 1.00 0.00 C ATOM 814 O SER A 585 6.833 10.517 -5.589 1.00 0.00 O ATOM 815 CB SER A 585 7.006 13.431 -5.956 1.00 0.00 C ATOM 816 OG SER A 585 7.961 13.824 -4.975 1.00 0.00 O ATOM 0 H SER A 585 5.883 13.703 -3.509 1.00 0.00 H new ATOM 0 HA SER A 585 5.068 12.546 -6.112 1.00 0.00 H new ATOM 0 HB2 SER A 585 7.490 12.796 -6.699 1.00 0.00 H new ATOM 0 HB3 SER A 585 6.641 14.314 -6.480 1.00 0.00 H new ATOM 0 HG SER A 585 8.700 14.298 -5.410 1.00 0.00 H new ATOM 822 N GLN A 586 6.007 11.068 -3.557 1.00 0.00 N ATOM 823 CA GLN A 586 6.376 9.804 -2.942 1.00 0.00 C ATOM 824 C GLN A 586 5.440 9.490 -1.773 1.00 0.00 C ATOM 825 O GLN A 586 5.096 10.376 -0.993 1.00 0.00 O ATOM 826 CB GLN A 586 7.836 9.823 -2.485 1.00 0.00 C ATOM 827 CG GLN A 586 8.781 9.556 -3.658 1.00 0.00 C ATOM 828 CD GLN A 586 10.216 9.346 -3.170 1.00 0.00 C ATOM 829 OE1 GLN A 586 10.770 10.143 -2.431 1.00 0.00 O ATOM 830 NE2 GLN A 586 10.784 8.233 -3.624 1.00 0.00 N ATOM 0 H GLN A 586 5.541 11.726 -2.932 1.00 0.00 H new ATOM 0 HA GLN A 586 6.273 9.015 -3.687 1.00 0.00 H new ATOM 0 HB2 GLN A 586 8.069 10.790 -2.039 1.00 0.00 H new ATOM 0 HB3 GLN A 586 7.989 9.070 -1.712 1.00 0.00 H new ATOM 0 HG2 GLN A 586 8.447 8.675 -4.205 1.00 0.00 H new ATOM 0 HG3 GLN A 586 8.749 10.395 -4.354 1.00 0.00 H new ATOM 0 HE21 GLN A 586 10.263 7.609 -4.240 1.00 0.00 H new ATOM 0 HE22 GLN A 586 11.741 8.003 -3.356 1.00 0.00 H new ATOM 839 N LEU A 587 5.054 8.225 -1.690 1.00 0.00 N ATOM 840 CA LEU A 587 4.164 7.782 -0.630 1.00 0.00 C ATOM 841 C LEU A 587 4.678 6.460 -0.058 1.00 0.00 C ATOM 842 O LEU A 587 5.030 5.550 -0.807 1.00 0.00 O ATOM 843 CB LEU A 587 2.721 7.715 -1.134 1.00 0.00 C ATOM 844 CG LEU A 587 1.631 7.838 -0.067 1.00 0.00 C ATOM 845 CD1 LEU A 587 0.281 8.182 -0.700 1.00 0.00 C ATOM 846 CD2 LEU A 587 1.557 6.572 0.789 1.00 0.00 C ATOM 0 H LEU A 587 5.341 7.493 -2.339 1.00 0.00 H new ATOM 0 HA LEU A 587 4.158 8.503 0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 587 2.576 8.509 -1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 587 2.584 6.769 -1.658 1.00 0.00 H new ATOM 0 HG LEU A 587 1.894 8.661 0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 587 -0.476 8.264 0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 587 0.359 9.131 -1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 587 -0.003 7.397 -1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 587 0.775 6.685 1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 587 1.329 5.716 0.154 1.00 0.00 H new ATOM 0 HD23 LEU A 587 2.514 6.411 1.285 1.00 0.00 H new ATOM 858 N GLU A 588 4.703 6.394 1.265 1.00 0.00 N ATOM 859 CA GLU A 588 5.168 5.197 1.946 1.00 0.00 C ATOM 860 C GLU A 588 3.978 4.351 2.403 1.00 0.00 C ATOM 861 O GLU A 588 2.938 4.888 2.781 1.00 0.00 O ATOM 862 CB GLU A 588 6.072 5.555 3.128 1.00 0.00 C ATOM 863 CG GLU A 588 6.437 4.308 3.936 1.00 0.00 C ATOM 864 CD GLU A 588 7.052 4.689 5.284 1.00 0.00 C ATOM 865 OE1 GLU A 588 6.889 3.955 6.270 1.00 0.00 O ATOM 866 OE2 GLU A 588 7.722 5.791 5.285 1.00 0.00 O ATOM 0 H GLU A 588 4.409 7.150 1.884 1.00 0.00 H new ATOM 0 HA GLU A 588 5.759 4.609 1.244 1.00 0.00 H new ATOM 0 HB2 GLU A 588 6.980 6.035 2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 588 5.567 6.275 3.772 1.00 0.00 H new ATOM 0 HG2 GLU A 588 5.546 3.701 4.097 1.00 0.00 H new ATOM 0 HG3 GLU A 588 7.141 3.697 3.371 1.00 0.00 H new ATOM 874 N ALA A 589 4.170 3.041 2.353 1.00 0.00 N ATOM 875 CA ALA A 589 3.126 2.115 2.756 1.00 0.00 C ATOM 876 C ALA A 589 3.758 0.927 3.485 1.00 0.00 C ATOM 877 O ALA A 589 4.855 0.492 3.137 1.00 0.00 O ATOM 878 CB ALA A 589 2.322 1.685 1.528 1.00 0.00 C ATOM 0 H ALA A 589 5.034 2.599 2.039 1.00 0.00 H new ATOM 0 HA ALA A 589 2.433 2.595 3.447 1.00 0.00 H new ATOM 0 HB1 ALA A 589 1.539 0.990 1.831 1.00 0.00 H new ATOM 0 HB2 ALA A 589 1.870 2.562 1.064 1.00 0.00 H new ATOM 0 HB3 ALA A 589 2.984 1.196 0.813 1.00 0.00 H new ATOM 884 N ALA A 590 3.038 0.435 4.483 1.00 0.00 N ATOM 885 CA ALA A 590 3.514 -0.694 5.263 1.00 0.00 C ATOM 886 C ALA A 590 2.398 -1.735 5.380 1.00 0.00 C ATOM 887 O ALA A 590 1.232 -1.430 5.135 1.00 0.00 O ATOM 888 CB ALA A 590 3.999 -0.203 6.629 1.00 0.00 C ATOM 0 H ALA A 590 2.129 0.798 4.769 1.00 0.00 H new ATOM 0 HA ALA A 590 4.360 -1.172 4.769 1.00 0.00 H new ATOM 0 HB1 ALA A 590 4.356 -1.050 7.214 1.00 0.00 H new ATOM 0 HB2 ALA A 590 4.811 0.511 6.492 1.00 0.00 H new ATOM 0 HB3 ALA A 590 3.176 0.280 7.155 1.00 0.00 H new ATOM 894 N PHE A 591 2.795 -2.942 5.755 1.00 0.00 N ATOM 895 CA PHE A 591 1.843 -4.029 5.908 1.00 0.00 C ATOM 896 C PHE A 591 1.783 -4.505 7.361 1.00 0.00 C ATOM 897 O PHE A 591 2.812 -4.816 7.959 1.00 0.00 O ATOM 898 CB PHE A 591 2.333 -5.179 5.026 1.00 0.00 C ATOM 899 CG PHE A 591 1.925 -5.055 3.557 1.00 0.00 C ATOM 900 CD1 PHE A 591 0.644 -4.738 3.231 1.00 0.00 C ATOM 901 CD2 PHE A 591 2.845 -5.261 2.576 1.00 0.00 C ATOM 902 CE1 PHE A 591 0.265 -4.622 1.868 1.00 0.00 C ATOM 903 CE2 PHE A 591 2.466 -5.145 1.212 1.00 0.00 C ATOM 904 CZ PHE A 591 1.185 -4.828 0.887 1.00 0.00 C ATOM 0 H PHE A 591 3.763 -3.191 5.957 1.00 0.00 H new ATOM 0 HA PHE A 591 0.846 -3.694 5.623 1.00 0.00 H new ATOM 0 HB2 PHE A 591 3.420 -5.232 5.087 1.00 0.00 H new ATOM 0 HB3 PHE A 591 1.945 -6.118 5.422 1.00 0.00 H new ATOM 0 HD1 PHE A 591 -0.086 -4.574 4.010 1.00 0.00 H new ATOM 0 HD2 PHE A 591 3.863 -5.513 2.834 1.00 0.00 H new ATOM 0 HE1 PHE A 591 -0.753 -4.370 1.610 1.00 0.00 H new ATOM 0 HE2 PHE A 591 3.196 -5.309 0.433 1.00 0.00 H new ATOM 0 HZ PHE A 591 0.897 -4.740 -0.150 1.00 0.00 H new ATOM 914 N ASN A 592 0.567 -4.547 7.886 1.00 0.00 N ATOM 915 CA ASN A 592 0.359 -4.980 9.257 1.00 0.00 C ATOM 916 C ASN A 592 -0.954 -5.759 9.348 1.00 0.00 C ATOM 917 O ASN A 592 -1.966 -5.344 8.785 1.00 0.00 O ATOM 918 CB ASN A 592 0.265 -3.782 10.205 1.00 0.00 C ATOM 919 CG ASN A 592 -0.959 -2.922 9.882 1.00 0.00 C ATOM 920 OD1 ASN A 592 -2.024 -3.071 10.459 1.00 0.00 O ATOM 921 ND2 ASN A 592 -0.748 -2.017 8.931 1.00 0.00 N ATOM 0 H ASN A 592 -0.284 -4.288 7.387 1.00 0.00 H new ATOM 0 HA ASN A 592 1.206 -5.603 9.546 1.00 0.00 H new ATOM 0 HB2 ASN A 592 0.206 -4.133 11.235 1.00 0.00 H new ATOM 0 HB3 ASN A 592 1.169 -3.179 10.125 1.00 0.00 H new ATOM 0 HD21 ASN A 592 -1.503 -1.394 8.643 1.00 0.00 H new ATOM 0 HD22 ASN A 592 0.169 -1.946 8.489 1.00 0.00 H new ATOM 928 N ASP A 593 -0.896 -6.874 10.061 1.00 0.00 N ATOM 929 CA ASP A 593 -2.068 -7.715 10.232 1.00 0.00 C ATOM 930 C ASP A 593 -3.171 -6.910 10.922 1.00 0.00 C ATOM 931 O ASP A 593 -4.290 -6.825 10.418 1.00 0.00 O ATOM 932 CB ASP A 593 -1.752 -8.929 11.107 1.00 0.00 C ATOM 933 CG ASP A 593 -1.026 -8.612 12.416 1.00 0.00 C ATOM 934 OD1 ASP A 593 -0.354 -7.577 12.539 1.00 0.00 O ATOM 935 OD2 ASP A 593 -1.173 -9.492 13.348 1.00 0.00 O ATOM 0 H ASP A 593 -0.055 -7.215 10.527 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.386 -8.054 9.246 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -2.685 -9.441 11.342 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -1.142 -9.625 10.530 1.00 0.00 H new ATOM 941 N GLY A 594 -2.817 -6.340 12.064 1.00 0.00 N ATOM 942 CA GLY A 594 -3.764 -5.544 12.828 1.00 0.00 C ATOM 943 C GLY A 594 -3.129 -5.030 14.122 1.00 0.00 C ATOM 944 O GLY A 594 -3.773 -5.012 15.169 1.00 0.00 O ATOM 0 H GLY A 594 -1.888 -6.413 12.479 1.00 0.00 H new ATOM 0 HA2 GLY A 594 -4.105 -4.702 12.226 1.00 0.00 H new ATOM 0 HA3 GLY A 594 -4.643 -6.144 13.063 1.00 0.00 H new ATOM 948 N ASN A 595 -1.872 -4.626 14.007 1.00 0.00 N ATOM 949 CA ASN A 595 -1.143 -4.113 15.154 1.00 0.00 C ATOM 950 C ASN A 595 -0.630 -5.285 15.993 1.00 0.00 C ATOM 951 O ASN A 595 -1.242 -5.650 16.996 1.00 0.00 O ATOM 952 CB ASN A 595 -2.047 -3.256 16.043 1.00 0.00 C ATOM 953 CG ASN A 595 -1.223 -2.273 16.878 1.00 0.00 C ATOM 954 OD1 ASN A 595 -0.497 -2.646 17.785 1.00 0.00 O ATOM 955 ND2 ASN A 595 -1.374 -1.001 16.521 1.00 0.00 N ATOM 0 H ASN A 595 -1.340 -4.644 13.137 1.00 0.00 H new ATOM 0 HA ASN A 595 -0.318 -3.504 14.784 1.00 0.00 H new ATOM 0 HB2 ASN A 595 -2.757 -2.707 15.424 1.00 0.00 H new ATOM 0 HB3 ASN A 595 -2.630 -3.899 16.702 1.00 0.00 H new ATOM 0 HD21 ASN A 595 -0.865 -0.268 17.016 1.00 0.00 H new ATOM 0 HD22 ASN A 595 -1.998 -0.758 15.752 1.00 0.00 H new ATOM 962 N ASN A 596 0.488 -5.843 15.551 1.00 0.00 N ATOM 963 CA ASN A 596 1.090 -6.966 16.249 1.00 0.00 C ATOM 964 C ASN A 596 2.072 -7.674 15.313 1.00 0.00 C ATOM 965 O ASN A 596 3.044 -8.275 15.768 1.00 0.00 O ATOM 966 CB ASN A 596 0.028 -7.982 16.676 1.00 0.00 C ATOM 967 CG ASN A 596 -0.066 -8.068 18.201 1.00 0.00 C ATOM 968 OD1 ASN A 596 0.215 -9.272 18.693 1.00 0.00 O flip ATOM 969 ND2 ASN A 596 -0.372 -7.106 18.885 1.00 0.00 N flip ATOM 0 H ASN A 596 0.992 -5.538 14.718 1.00 0.00 H new ATOM 0 HA ASN A 596 1.598 -6.581 17.134 1.00 0.00 H new ATOM 0 HB2 ASN A 596 -0.940 -7.697 16.264 1.00 0.00 H new ATOM 0 HB3 ASN A 596 0.272 -8.962 16.267 1.00 0.00 H new ATOM 0 HD21 ASN A 596 -0.575 -6.210 18.443 1.00 0.00 H new ATOM 0 HD22 ASN A 596 -0.425 -7.198 19.900 1.00 0.00 H new ATOM 976 N ASN A 597 1.784 -7.580 14.024 1.00 0.00 N ATOM 977 CA ASN A 597 2.631 -8.204 13.021 1.00 0.00 C ATOM 978 C ASN A 597 2.773 -7.263 11.823 1.00 0.00 C ATOM 979 O ASN A 597 1.821 -7.062 11.070 1.00 0.00 O ATOM 980 CB ASN A 597 2.019 -9.514 12.522 1.00 0.00 C ATOM 981 CG ASN A 597 3.096 -10.585 12.333 1.00 0.00 C ATOM 982 OD1 ASN A 597 4.159 -10.343 11.785 1.00 0.00 O ATOM 983 ND2 ASN A 597 2.762 -11.779 12.816 1.00 0.00 N ATOM 0 H ASN A 597 0.976 -7.081 13.650 1.00 0.00 H new ATOM 0 HA ASN A 597 3.600 -8.408 13.477 1.00 0.00 H new ATOM 0 HB2 ASN A 597 1.273 -9.865 13.234 1.00 0.00 H new ATOM 0 HB3 ASN A 597 1.502 -9.342 11.578 1.00 0.00 H new ATOM 0 HD21 ASN A 597 3.413 -12.561 12.739 1.00 0.00 H new ATOM 0 HD22 ASN A 597 1.855 -11.913 13.263 1.00 0.00 H new ATOM 990 N TRP A 598 3.969 -6.711 11.683 1.00 0.00 N ATOM 991 CA TRP A 598 4.248 -5.796 10.589 1.00 0.00 C ATOM 992 C TRP A 598 5.328 -6.427 9.708 1.00 0.00 C ATOM 993 O TRP A 598 6.321 -6.947 10.215 1.00 0.00 O ATOM 994 CB TRP A 598 4.639 -4.414 11.117 1.00 0.00 C ATOM 995 CG TRP A 598 3.585 -3.771 12.021 1.00 0.00 C ATOM 996 CD1 TRP A 598 3.120 -4.221 13.195 1.00 0.00 C ATOM 997 CD2 TRP A 598 2.880 -2.536 11.776 1.00 0.00 C ATOM 998 NE1 TRP A 598 2.170 -3.370 13.722 1.00 0.00 N ATOM 999 CE2 TRP A 598 2.020 -2.313 12.832 1.00 0.00 C ATOM 1000 CE3 TRP A 598 2.966 -1.638 10.698 1.00 0.00 C ATOM 1001 CZ2 TRP A 598 1.180 -1.196 12.913 1.00 0.00 C ATOM 1002 CZ3 TRP A 598 2.120 -0.526 10.795 1.00 0.00 C ATOM 1003 CH2 TRP A 598 1.248 -0.287 11.851 1.00 0.00 C ATOM 0 H TRP A 598 4.756 -6.880 12.309 1.00 0.00 H new ATOM 0 HA TRP A 598 3.356 -5.635 9.984 1.00 0.00 H new ATOM 0 HB2 TRP A 598 5.574 -4.499 11.671 1.00 0.00 H new ATOM 0 HB3 TRP A 598 4.829 -3.754 10.271 1.00 0.00 H new ATOM 0 HD1 TRP A 598 3.448 -5.135 13.669 1.00 0.00 H new ATOM 0 HE1 TRP A 598 1.670 -3.494 14.602 1.00 0.00 H new ATOM 0 HE3 TRP A 598 3.631 -1.793 9.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 598 0.515 -1.044 13.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 598 2.147 0.197 9.993 1.00 0.00 H new ATOM 0 HH2 TRP A 598 0.626 0.596 11.852 1.00 0.00 H new ATOM 1014 N ASP A 599 5.097 -6.361 8.406 1.00 0.00 N ATOM 1015 CA ASP A 599 6.038 -6.920 7.450 1.00 0.00 C ATOM 1016 C ASP A 599 6.730 -5.781 6.697 1.00 0.00 C ATOM 1017 O ASP A 599 7.278 -5.990 5.616 1.00 0.00 O ATOM 1018 CB ASP A 599 5.322 -7.799 6.422 1.00 0.00 C ATOM 1019 CG ASP A 599 6.045 -9.101 6.070 1.00 0.00 C ATOM 1020 OD1 ASP A 599 5.825 -10.144 6.704 1.00 0.00 O ATOM 1021 OD2 ASP A 599 6.875 -9.015 5.087 1.00 0.00 O ATOM 0 H ASP A 599 4.272 -5.929 7.990 1.00 0.00 H new ATOM 0 HA ASP A 599 6.760 -7.523 8.000 1.00 0.00 H new ATOM 0 HB2 ASP A 599 4.330 -8.043 6.803 1.00 0.00 H new ATOM 0 HB3 ASP A 599 5.180 -7.222 5.509 1.00 0.00 H new ATOM 1027 N SER A 600 6.684 -4.602 7.300 1.00 0.00 N ATOM 1028 CA SER A 600 7.300 -3.431 6.700 1.00 0.00 C ATOM 1029 C SER A 600 8.821 -3.510 6.841 1.00 0.00 C ATOM 1030 O SER A 600 9.442 -2.616 7.415 1.00 0.00 O ATOM 1031 CB SER A 600 6.774 -2.144 7.339 1.00 0.00 C ATOM 1032 OG SER A 600 7.442 -1.842 8.561 1.00 0.00 O ATOM 0 H SER A 600 6.230 -4.433 8.197 1.00 0.00 H new ATOM 0 HA SER A 600 7.040 -3.412 5.642 1.00 0.00 H new ATOM 0 HB2 SER A 600 6.901 -1.315 6.642 1.00 0.00 H new ATOM 0 HB3 SER A 600 5.705 -2.243 7.525 1.00 0.00 H new ATOM 0 HG SER A 600 8.400 -1.726 8.390 1.00 0.00 H new ATOM 1038 N ASN A 601 9.378 -4.587 6.308 1.00 0.00 N ATOM 1039 CA ASN A 601 10.815 -4.794 6.367 1.00 0.00 C ATOM 1040 C ASN A 601 11.309 -4.510 7.787 1.00 0.00 C ATOM 1041 O ASN A 601 12.459 -4.119 7.981 1.00 0.00 O ATOM 1042 CB ASN A 601 11.548 -3.849 5.413 1.00 0.00 C ATOM 1043 CG ASN A 601 12.995 -4.297 5.200 1.00 0.00 C ATOM 1044 OD1 ASN A 601 13.464 -5.264 5.778 1.00 0.00 O ATOM 1045 ND2 ASN A 601 13.673 -3.544 4.339 1.00 0.00 N ATOM 0 H ASN A 601 8.860 -5.326 5.833 1.00 0.00 H new ATOM 0 HA ASN A 601 11.019 -5.825 6.079 1.00 0.00 H new ATOM 0 HB2 ASN A 601 11.028 -3.819 4.455 1.00 0.00 H new ATOM 0 HB3 ASN A 601 11.533 -2.836 5.816 1.00 0.00 H new ATOM 0 HD21 ASN A 601 14.647 -3.762 4.127 1.00 0.00 H new ATOM 0 HD22 ASN A 601 13.219 -2.748 3.890 1.00 0.00 H new ATOM 1052 N ASN A 602 10.415 -4.717 8.743 1.00 0.00 N ATOM 1053 CA ASN A 602 10.746 -4.487 10.139 1.00 0.00 C ATOM 1054 C ASN A 602 10.622 -2.994 10.449 1.00 0.00 C ATOM 1055 O ASN A 602 9.943 -2.608 11.399 1.00 0.00 O ATOM 1056 CB ASN A 602 12.182 -4.916 10.442 1.00 0.00 C ATOM 1057 CG ASN A 602 12.312 -5.420 11.881 1.00 0.00 C ATOM 1058 OD1 ASN A 602 11.344 -5.785 12.528 1.00 0.00 O ATOM 1059 ND2 ASN A 602 13.559 -5.421 12.344 1.00 0.00 N ATOM 0 H ASN A 602 9.462 -5.041 8.578 1.00 0.00 H new ATOM 0 HA ASN A 602 10.059 -5.073 10.750 1.00 0.00 H new ATOM 0 HB2 ASN A 602 12.485 -5.701 9.749 1.00 0.00 H new ATOM 0 HB3 ASN A 602 12.857 -4.075 10.285 1.00 0.00 H new ATOM 0 HD21 ASN A 602 13.750 -5.741 13.294 1.00 0.00 H new ATOM 0 HD22 ASN A 602 14.324 -5.102 11.749 1.00 0.00 H new ATOM 1066 N THR A 603 11.290 -2.195 9.629 1.00 0.00 N ATOM 1067 CA THR A 603 11.264 -0.753 9.804 1.00 0.00 C ATOM 1068 C THR A 603 11.999 -0.063 8.653 1.00 0.00 C ATOM 1069 O THR A 603 12.866 0.779 8.882 1.00 0.00 O ATOM 1070 CB THR A 603 11.852 -0.433 11.180 1.00 0.00 C ATOM 1071 OG1 THR A 603 11.456 0.914 11.422 1.00 0.00 O ATOM 1072 CG2 THR A 603 13.381 -0.375 11.163 1.00 0.00 C ATOM 0 H THR A 603 11.852 -2.519 8.842 1.00 0.00 H new ATOM 0 HA THR A 603 10.244 -0.369 9.773 1.00 0.00 H new ATOM 0 HB THR A 603 11.525 -1.184 11.899 1.00 0.00 H new ATOM 0 HG1 THR A 603 11.806 1.491 10.711 1.00 0.00 H new ATOM 0 HG21 THR A 603 13.748 -0.145 12.163 1.00 0.00 H new ATOM 0 HG22 THR A 603 13.778 -1.339 10.844 1.00 0.00 H new ATOM 0 HG23 THR A 603 13.708 0.400 10.470 1.00 0.00 H new ATOM 1080 N LYS A 604 11.626 -0.446 7.441 1.00 0.00 N ATOM 1081 CA LYS A 604 12.238 0.126 6.254 1.00 0.00 C ATOM 1082 C LYS A 604 11.237 0.085 5.098 1.00 0.00 C ATOM 1083 O LYS A 604 11.508 -0.512 4.057 1.00 0.00 O ATOM 1084 CB LYS A 604 13.563 -0.575 5.945 1.00 0.00 C ATOM 1085 CG LYS A 604 14.718 0.428 5.905 1.00 0.00 C ATOM 1086 CD LYS A 604 14.970 0.917 4.477 1.00 0.00 C ATOM 1087 CE LYS A 604 16.466 0.922 4.156 1.00 0.00 C ATOM 1088 NZ LYS A 604 16.687 0.664 2.715 1.00 0.00 N ATOM 0 H LYS A 604 10.907 -1.146 7.255 1.00 0.00 H new ATOM 0 HA LYS A 604 12.488 1.174 6.422 1.00 0.00 H new ATOM 0 HB2 LYS A 604 13.762 -1.334 6.702 1.00 0.00 H new ATOM 0 HB3 LYS A 604 13.491 -1.091 4.987 1.00 0.00 H new ATOM 0 HG2 LYS A 604 14.489 1.277 6.549 1.00 0.00 H new ATOM 0 HG3 LYS A 604 15.622 -0.037 6.299 1.00 0.00 H new ATOM 0 HD2 LYS A 604 14.445 0.274 3.771 1.00 0.00 H new ATOM 0 HD3 LYS A 604 14.565 1.922 4.356 1.00 0.00 H new ATOM 0 HE2 LYS A 604 16.900 1.884 4.430 1.00 0.00 H new ATOM 0 HE3 LYS A 604 16.974 0.162 4.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 17.707 0.671 2.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 16.291 -0.264 2.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 16.219 1.404 2.154 1.00 0.00 H new ATOM 1101 N ASN A 605 10.099 0.727 5.320 1.00 0.00 N ATOM 1102 CA ASN A 605 9.056 0.772 4.310 1.00 0.00 C ATOM 1103 C ASN A 605 9.652 1.258 2.988 1.00 0.00 C ATOM 1104 O ASN A 605 10.860 1.468 2.887 1.00 0.00 O ATOM 1105 CB ASN A 605 7.942 1.741 4.711 1.00 0.00 C ATOM 1106 CG ASN A 605 7.403 1.411 6.104 1.00 0.00 C ATOM 1107 OD1 ASN A 605 8.129 1.014 7.001 1.00 0.00 O ATOM 1108 ND2 ASN A 605 6.093 1.598 6.236 1.00 0.00 N ATOM 0 H ASN A 605 9.877 1.220 6.185 1.00 0.00 H new ATOM 0 HA ASN A 605 8.642 -0.231 4.209 1.00 0.00 H new ATOM 0 HB2 ASN A 605 8.321 2.763 4.697 1.00 0.00 H new ATOM 0 HB3 ASN A 605 7.132 1.691 3.983 1.00 0.00 H new ATOM 0 HD21 ASN A 605 5.638 1.407 7.129 1.00 0.00 H new ATOM 0 HD22 ASN A 605 5.543 1.933 5.445 1.00 0.00 H new ATOM 1115 N TYR A 606 8.778 1.422 2.006 1.00 0.00 N ATOM 1116 CA TYR A 606 9.203 1.880 0.694 1.00 0.00 C ATOM 1117 C TYR A 606 8.335 3.044 0.211 1.00 0.00 C ATOM 1118 O TYR A 606 7.149 3.112 0.528 1.00 0.00 O ATOM 1119 CB TYR A 606 9.012 0.691 -0.250 1.00 0.00 C ATOM 1120 CG TYR A 606 10.074 -0.400 -0.100 1.00 0.00 C ATOM 1121 CD1 TYR A 606 11.328 -0.221 -0.649 1.00 0.00 C ATOM 1122 CD2 TYR A 606 9.779 -1.562 0.583 1.00 0.00 C ATOM 1123 CE1 TYR A 606 12.328 -1.248 -0.508 1.00 0.00 C ATOM 1124 CE2 TYR A 606 10.779 -2.588 0.723 1.00 0.00 C ATOM 1125 CZ TYR A 606 12.004 -2.380 0.171 1.00 0.00 C ATOM 1126 OH TYR A 606 12.949 -3.350 0.304 1.00 0.00 O ATOM 0 H TYR A 606 7.777 1.246 2.093 1.00 0.00 H new ATOM 0 HA TYR A 606 10.236 2.228 0.725 1.00 0.00 H new ATOM 0 HB2 TYR A 606 8.029 0.254 -0.073 1.00 0.00 H new ATOM 0 HB3 TYR A 606 9.020 1.052 -1.278 1.00 0.00 H new ATOM 0 HD1 TYR A 606 11.559 0.688 -1.184 1.00 0.00 H new ATOM 0 HD2 TYR A 606 8.798 -1.702 1.013 1.00 0.00 H new ATOM 0 HE1 TYR A 606 13.313 -1.121 -0.932 1.00 0.00 H new ATOM 0 HE2 TYR A 606 10.561 -3.502 1.255 1.00 0.00 H new ATOM 0 HH TYR A 606 12.578 -4.101 0.813 1.00 0.00 H new ATOM 1136 N LEU A 607 8.961 3.931 -0.548 1.00 0.00 N ATOM 1137 CA LEU A 607 8.261 5.089 -1.077 1.00 0.00 C ATOM 1138 C LEU A 607 7.945 4.857 -2.557 1.00 0.00 C ATOM 1139 O LEU A 607 8.825 4.483 -3.331 1.00 0.00 O ATOM 1140 CB LEU A 607 9.061 6.366 -0.813 1.00 0.00 C ATOM 1141 CG LEU A 607 9.412 6.647 0.650 1.00 0.00 C ATOM 1142 CD1 LEU A 607 10.861 6.258 0.950 1.00 0.00 C ATOM 1143 CD2 LEU A 607 9.123 8.104 1.014 1.00 0.00 C ATOM 0 H LEU A 607 9.945 3.871 -0.809 1.00 0.00 H new ATOM 0 HA LEU A 607 7.309 5.225 -0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 607 9.987 6.316 -1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 607 8.494 7.213 -1.199 1.00 0.00 H new ATOM 0 HG LEU A 607 8.774 6.026 1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 607 11.085 6.468 1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 607 11.000 5.195 0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 607 11.532 6.834 0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 607 9.381 8.276 2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 607 9.717 8.762 0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 607 8.064 8.314 0.863 1.00 0.00 H new ATOM 1155 N PHE A 608 6.688 5.088 -2.904 1.00 0.00 N ATOM 1156 CA PHE A 608 6.246 4.908 -4.276 1.00 0.00 C ATOM 1157 C PHE A 608 5.508 6.150 -4.782 1.00 0.00 C ATOM 1158 O PHE A 608 4.678 6.715 -4.072 1.00 0.00 O ATOM 1159 CB PHE A 608 5.282 3.719 -4.284 1.00 0.00 C ATOM 1160 CG PHE A 608 5.282 2.910 -2.985 1.00 0.00 C ATOM 1161 CD1 PHE A 608 4.488 3.289 -1.948 1.00 0.00 C ATOM 1162 CD2 PHE A 608 6.076 1.812 -2.868 1.00 0.00 C ATOM 1163 CE1 PHE A 608 4.488 2.539 -0.742 1.00 0.00 C ATOM 1164 CE2 PHE A 608 6.075 1.062 -1.662 1.00 0.00 C ATOM 1165 CZ PHE A 608 5.282 1.441 -0.625 1.00 0.00 C ATOM 0 H PHE A 608 5.961 5.398 -2.259 1.00 0.00 H new ATOM 0 HA PHE A 608 7.106 4.739 -4.924 1.00 0.00 H new ATOM 0 HB2 PHE A 608 4.272 4.084 -4.473 1.00 0.00 H new ATOM 0 HB3 PHE A 608 5.542 3.059 -5.111 1.00 0.00 H new ATOM 0 HD1 PHE A 608 3.857 4.161 -2.042 1.00 0.00 H new ATOM 0 HD2 PHE A 608 6.707 1.511 -3.691 1.00 0.00 H new ATOM 0 HE1 PHE A 608 3.858 2.840 0.082 1.00 0.00 H new ATOM 0 HE2 PHE A 608 6.705 0.190 -1.569 1.00 0.00 H new ATOM 0 HZ PHE A 608 5.282 0.870 0.292 1.00 0.00 H new ATOM 1175 N SER A 609 5.839 6.537 -6.005 1.00 0.00 N ATOM 1176 CA SER A 609 5.218 7.702 -6.614 1.00 0.00 C ATOM 1177 C SER A 609 3.862 7.321 -7.209 1.00 0.00 C ATOM 1178 O SER A 609 3.548 6.139 -7.342 1.00 0.00 O ATOM 1179 CB SER A 609 6.120 8.306 -7.692 1.00 0.00 C ATOM 1180 OG SER A 609 7.219 7.455 -8.007 1.00 0.00 O ATOM 0 H SER A 609 6.528 6.065 -6.591 1.00 0.00 H new ATOM 0 HA SER A 609 5.069 8.454 -5.840 1.00 0.00 H new ATOM 0 HB2 SER A 609 5.535 8.491 -8.593 1.00 0.00 H new ATOM 0 HB3 SER A 609 6.495 9.271 -7.352 1.00 0.00 H new ATOM 0 HG SER A 609 7.770 7.875 -8.700 1.00 0.00 H new ATOM 1186 N THR A 610 3.093 8.344 -7.551 1.00 0.00 N ATOM 1187 CA THR A 610 1.777 8.131 -8.130 1.00 0.00 C ATOM 1188 C THR A 610 1.866 7.173 -9.319 1.00 0.00 C ATOM 1189 O THR A 610 2.954 6.907 -9.827 1.00 0.00 O ATOM 1190 CB THR A 610 1.194 9.498 -8.493 1.00 0.00 C ATOM 1191 OG1 THR A 610 2.212 10.113 -9.278 1.00 0.00 O ATOM 1192 CG2 THR A 610 1.054 10.418 -7.278 1.00 0.00 C ATOM 0 H THR A 610 3.356 9.323 -7.438 1.00 0.00 H new ATOM 0 HA THR A 610 1.104 7.653 -7.418 1.00 0.00 H new ATOM 0 HB THR A 610 0.218 9.363 -8.960 1.00 0.00 H new ATOM 0 HG1 THR A 610 1.916 11.004 -9.558 1.00 0.00 H new ATOM 0 HG21 THR A 610 0.636 11.374 -7.592 1.00 0.00 H new ATOM 0 HG22 THR A 610 0.392 9.955 -6.546 1.00 0.00 H new ATOM 0 HG23 THR A 610 2.034 10.580 -6.830 1.00 0.00 H new ATOM 1200 N GLY A 611 0.706 6.680 -9.728 1.00 0.00 N ATOM 1201 CA GLY A 611 0.639 5.756 -10.848 1.00 0.00 C ATOM 1202 C GLY A 611 0.193 4.367 -10.387 1.00 0.00 C ATOM 1203 O GLY A 611 -0.659 4.244 -9.509 1.00 0.00 O ATOM 0 H GLY A 611 -0.195 6.903 -9.304 1.00 0.00 H new ATOM 0 HA2 GLY A 611 -0.057 6.136 -11.596 1.00 0.00 H new ATOM 0 HA3 GLY A 611 1.616 5.688 -11.327 1.00 0.00 H new ATOM 1207 N THR A 612 0.790 3.355 -11.000 1.00 0.00 N ATOM 1208 CA THR A 612 0.466 1.980 -10.663 1.00 0.00 C ATOM 1209 C THR A 612 1.665 1.294 -10.006 1.00 0.00 C ATOM 1210 O THR A 612 2.785 1.378 -10.508 1.00 0.00 O ATOM 1211 CB THR A 612 -0.010 1.281 -11.938 1.00 0.00 C ATOM 1212 OG1 THR A 612 -0.986 2.168 -12.477 1.00 0.00 O ATOM 1213 CG2 THR A 612 -0.793 -0.001 -11.646 1.00 0.00 C ATOM 0 H THR A 612 1.496 3.461 -11.728 1.00 0.00 H new ATOM 0 HA THR A 612 -0.338 1.932 -9.928 1.00 0.00 H new ATOM 0 HB THR A 612 0.850 1.046 -12.565 1.00 0.00 H new ATOM 0 HG1 THR A 612 -1.346 1.793 -13.308 1.00 0.00 H new ATOM 0 HG21 THR A 612 -1.107 -0.457 -12.585 1.00 0.00 H new ATOM 0 HG22 THR A 612 -0.159 -0.698 -11.098 1.00 0.00 H new ATOM 0 HG23 THR A 612 -1.672 0.238 -11.047 1.00 0.00 H new ATOM 1221 N SER A 613 1.390 0.631 -8.893 1.00 0.00 N ATOM 1222 CA SER A 613 2.433 -0.069 -8.161 1.00 0.00 C ATOM 1223 C SER A 613 1.886 -1.382 -7.598 1.00 0.00 C ATOM 1224 O SER A 613 0.678 -1.527 -7.413 1.00 0.00 O ATOM 1225 CB SER A 613 2.993 0.800 -7.034 1.00 0.00 C ATOM 1226 OG SER A 613 3.367 2.096 -7.494 1.00 0.00 O ATOM 0 H SER A 613 0.460 0.563 -8.480 1.00 0.00 H new ATOM 0 HA SER A 613 3.247 -0.289 -8.852 1.00 0.00 H new ATOM 0 HB2 SER A 613 2.246 0.897 -6.246 1.00 0.00 H new ATOM 0 HB3 SER A 613 3.860 0.308 -6.593 1.00 0.00 H new ATOM 0 HG SER A 613 3.718 2.620 -6.744 1.00 0.00 H new ATOM 1232 N THR A 614 2.800 -2.305 -7.340 1.00 0.00 N ATOM 1233 CA THR A 614 2.425 -3.601 -6.801 1.00 0.00 C ATOM 1234 C THR A 614 3.337 -3.977 -5.632 1.00 0.00 C ATOM 1235 O THR A 614 4.552 -3.803 -5.707 1.00 0.00 O ATOM 1236 CB THR A 614 2.454 -4.616 -7.946 1.00 0.00 C ATOM 1237 OG1 THR A 614 1.677 -4.005 -8.972 1.00 0.00 O ATOM 1238 CG2 THR A 614 1.689 -5.898 -7.612 1.00 0.00 C ATOM 0 H THR A 614 3.801 -2.181 -7.494 1.00 0.00 H new ATOM 0 HA THR A 614 1.415 -3.581 -6.391 1.00 0.00 H new ATOM 0 HB THR A 614 3.488 -4.863 -8.185 1.00 0.00 H new ATOM 0 HG1 THR A 614 2.251 -3.428 -9.518 1.00 0.00 H new ATOM 0 HG21 THR A 614 1.741 -6.584 -8.458 1.00 0.00 H new ATOM 0 HG22 THR A 614 2.133 -6.369 -6.735 1.00 0.00 H new ATOM 0 HG23 THR A 614 0.647 -5.656 -7.405 1.00 0.00 H new ATOM 1246 N TYR A 615 2.715 -4.486 -4.578 1.00 0.00 N ATOM 1247 CA TYR A 615 3.456 -4.888 -3.394 1.00 0.00 C ATOM 1248 C TYR A 615 3.240 -6.372 -3.091 1.00 0.00 C ATOM 1249 O TYR A 615 2.133 -6.785 -2.750 1.00 0.00 O ATOM 1250 CB TYR A 615 2.892 -4.057 -2.241 1.00 0.00 C ATOM 1251 CG TYR A 615 3.935 -3.652 -1.197 1.00 0.00 C ATOM 1252 CD1 TYR A 615 5.103 -4.377 -1.072 1.00 0.00 C ATOM 1253 CD2 TYR A 615 3.707 -2.564 -0.380 1.00 0.00 C ATOM 1254 CE1 TYR A 615 6.084 -3.996 -0.089 1.00 0.00 C ATOM 1255 CE2 TYR A 615 4.689 -2.183 0.603 1.00 0.00 C ATOM 1256 CZ TYR A 615 5.829 -2.918 0.700 1.00 0.00 C ATOM 1257 OH TYR A 615 6.756 -2.559 1.628 1.00 0.00 O ATOM 0 H TYR A 615 1.707 -4.629 -4.519 1.00 0.00 H new ATOM 0 HA TYR A 615 4.525 -4.731 -3.538 1.00 0.00 H new ATOM 0 HB2 TYR A 615 2.431 -3.157 -2.647 1.00 0.00 H new ATOM 0 HB3 TYR A 615 2.103 -4.625 -1.749 1.00 0.00 H new ATOM 0 HD1 TYR A 615 5.281 -5.229 -1.711 1.00 0.00 H new ATOM 0 HD2 TYR A 615 2.792 -1.998 -0.477 1.00 0.00 H new ATOM 0 HE1 TYR A 615 7.002 -4.554 0.019 1.00 0.00 H new ATOM 0 HE2 TYR A 615 4.523 -1.333 1.248 1.00 0.00 H new ATOM 0 HH TYR A 615 6.440 -1.771 2.118 1.00 0.00 H new ATOM 1267 N THR A 616 4.317 -7.133 -3.224 1.00 0.00 N ATOM 1268 CA THR A 616 4.259 -8.563 -2.969 1.00 0.00 C ATOM 1269 C THR A 616 5.178 -8.933 -1.803 1.00 0.00 C ATOM 1270 O THR A 616 6.401 -8.886 -1.932 1.00 0.00 O ATOM 1271 CB THR A 616 4.604 -9.290 -4.269 1.00 0.00 C ATOM 1272 OG1 THR A 616 3.519 -8.979 -5.140 1.00 0.00 O ATOM 1273 CG2 THR A 616 4.540 -10.812 -4.124 1.00 0.00 C ATOM 0 H THR A 616 5.234 -6.787 -3.505 1.00 0.00 H new ATOM 0 HA THR A 616 3.259 -8.871 -2.665 1.00 0.00 H new ATOM 0 HB THR A 616 5.603 -8.998 -4.593 1.00 0.00 H new ATOM 0 HG1 THR A 616 3.663 -9.410 -6.008 1.00 0.00 H new ATOM 0 HG21 THR A 616 4.794 -11.279 -5.076 1.00 0.00 H new ATOM 0 HG22 THR A 616 5.248 -11.135 -3.361 1.00 0.00 H new ATOM 0 HG23 THR A 616 3.532 -11.108 -3.832 1.00 0.00 H new ATOM 1281 N PRO A 617 4.538 -9.303 -0.662 1.00 0.00 N ATOM 1282 CA PRO A 617 5.285 -9.682 0.526 1.00 0.00 C ATOM 1283 C PRO A 617 5.890 -11.079 0.371 1.00 0.00 C ATOM 1284 O PRO A 617 5.535 -11.814 -0.549 1.00 0.00 O ATOM 1285 CB PRO A 617 4.284 -9.592 1.666 1.00 0.00 C ATOM 1286 CG PRO A 617 2.910 -9.619 1.017 1.00 0.00 C ATOM 1287 CD PRO A 617 3.092 -9.371 -0.472 1.00 0.00 C ATOM 0 HA PRO A 617 6.139 -9.030 0.711 1.00 0.00 H new ATOM 0 HB2 PRO A 617 4.405 -10.425 2.359 1.00 0.00 H new ATOM 0 HB3 PRO A 617 4.427 -8.676 2.240 1.00 0.00 H new ATOM 0 HG2 PRO A 617 2.426 -10.581 1.187 1.00 0.00 H new ATOM 0 HG3 PRO A 617 2.266 -8.856 1.455 1.00 0.00 H new ATOM 0 HD2 PRO A 617 2.652 -10.174 -1.064 1.00 0.00 H new ATOM 0 HD3 PRO A 617 2.608 -8.445 -0.781 1.00 0.00 H new ATOM 1295 N GLY A 618 6.793 -11.403 1.285 1.00 0.00 N ATOM 1296 CA GLY A 618 7.451 -12.698 1.261 1.00 0.00 C ATOM 1297 C GLY A 618 6.594 -13.761 1.952 1.00 0.00 C ATOM 1298 O GLY A 618 5.378 -13.607 2.064 1.00 0.00 O ATOM 0 H GLY A 618 7.084 -10.791 2.047 1.00 0.00 H new ATOM 0 HA2 GLY A 618 7.642 -12.994 0.229 1.00 0.00 H new ATOM 0 HA3 GLY A 618 8.419 -12.627 1.757 1.00 0.00 H new ATOM 1302 N SER A 619 7.261 -14.816 2.396 1.00 0.00 N ATOM 1303 CA SER A 619 6.575 -15.904 3.073 1.00 0.00 C ATOM 1304 C SER A 619 6.164 -15.468 4.481 1.00 0.00 C ATOM 1305 O SER A 619 4.980 -15.475 4.816 1.00 0.00 O ATOM 1306 CB SER A 619 7.456 -17.153 3.141 1.00 0.00 C ATOM 1307 OG SER A 619 8.059 -17.312 4.422 1.00 0.00 O ATOM 0 H SER A 619 8.269 -14.941 2.300 1.00 0.00 H new ATOM 0 HA SER A 619 5.681 -16.153 2.501 1.00 0.00 H new ATOM 0 HB2 SER A 619 6.855 -18.033 2.911 1.00 0.00 H new ATOM 0 HB3 SER A 619 8.233 -17.090 2.380 1.00 0.00 H new ATOM 0 HG SER A 619 8.612 -18.121 4.425 1.00 0.00 H new ATOM 1313 N ASN A 620 7.164 -15.099 5.268 1.00 0.00 N ATOM 1314 CA ASN A 620 6.921 -14.661 6.631 1.00 0.00 C ATOM 1315 C ASN A 620 8.174 -13.968 7.171 1.00 0.00 C ATOM 1316 O ASN A 620 9.277 -14.501 7.064 1.00 0.00 O ATOM 1317 CB ASN A 620 6.608 -15.848 7.544 1.00 0.00 C ATOM 1318 CG ASN A 620 5.161 -16.312 7.364 1.00 0.00 C ATOM 1319 OD1 ASN A 620 4.242 -15.522 7.223 1.00 0.00 O ATOM 1320 ND2 ASN A 620 5.010 -17.633 7.376 1.00 0.00 N ATOM 0 H ASN A 620 8.145 -15.095 4.987 1.00 0.00 H new ATOM 0 HA ASN A 620 6.070 -13.981 6.619 1.00 0.00 H new ATOM 0 HB2 ASN A 620 7.288 -16.671 7.322 1.00 0.00 H new ATOM 0 HB3 ASN A 620 6.777 -15.566 8.583 1.00 0.00 H new ATOM 0 HD21 ASN A 620 4.082 -18.041 7.263 1.00 0.00 H new ATOM 0 HD22 ASN A 620 5.822 -18.238 7.498 1.00 0.00 H new ATOM 1327 N GLY A 621 7.962 -12.789 7.738 1.00 0.00 N ATOM 1328 CA GLY A 621 9.060 -12.018 8.294 1.00 0.00 C ATOM 1329 C GLY A 621 10.192 -11.864 7.277 1.00 0.00 C ATOM 1330 O GLY A 621 11.332 -11.588 7.648 1.00 0.00 O ATOM 0 H GLY A 621 7.046 -12.349 7.824 1.00 0.00 H new ATOM 0 HA2 GLY A 621 8.702 -11.034 8.596 1.00 0.00 H new ATOM 0 HA3 GLY A 621 9.437 -12.510 9.191 1.00 0.00 H new ATOM 1334 N ALA A 622 9.839 -12.049 6.013 1.00 0.00 N ATOM 1335 CA ALA A 622 10.811 -11.934 4.939 1.00 0.00 C ATOM 1336 C ALA A 622 10.336 -10.879 3.938 1.00 0.00 C ATOM 1337 O ALA A 622 9.426 -11.131 3.150 1.00 0.00 O ATOM 1338 CB ALA A 622 11.018 -13.303 4.289 1.00 0.00 C ATOM 0 H ALA A 622 8.893 -12.278 5.709 1.00 0.00 H new ATOM 0 HA ALA A 622 11.776 -11.609 5.328 1.00 0.00 H new ATOM 0 HB1 ALA A 622 11.747 -13.217 3.483 1.00 0.00 H new ATOM 0 HB2 ALA A 622 11.383 -14.009 5.035 1.00 0.00 H new ATOM 0 HB3 ALA A 622 10.071 -13.661 3.885 1.00 0.00 H new ATOM 1344 N ALA A 623 10.974 -9.719 4.002 1.00 0.00 N ATOM 1345 CA ALA A 623 10.628 -8.625 3.111 1.00 0.00 C ATOM 1346 C ALA A 623 10.383 -9.176 1.705 1.00 0.00 C ATOM 1347 O ALA A 623 10.997 -10.164 1.306 1.00 0.00 O ATOM 1348 CB ALA A 623 11.738 -7.572 3.140 1.00 0.00 C ATOM 0 H ALA A 623 11.728 -9.513 4.657 1.00 0.00 H new ATOM 0 HA ALA A 623 9.709 -8.139 3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 623 11.478 -6.751 2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 623 11.852 -7.191 4.155 1.00 0.00 H new ATOM 0 HB3 ALA A 623 12.676 -8.023 2.814 1.00 0.00 H new ATOM 1354 N GLY A 624 9.484 -8.512 0.992 1.00 0.00 N ATOM 1355 CA GLY A 624 9.151 -8.923 -0.361 1.00 0.00 C ATOM 1356 C GLY A 624 9.745 -7.959 -1.389 1.00 0.00 C ATOM 1357 O GLY A 624 10.899 -7.550 -1.268 1.00 0.00 O ATOM 0 H GLY A 624 8.977 -7.693 1.326 1.00 0.00 H new ATOM 0 HA2 GLY A 624 9.527 -9.930 -0.542 1.00 0.00 H new ATOM 0 HA3 GLY A 624 8.068 -8.962 -0.477 1.00 0.00 H new ATOM 1361 N THR A 625 8.930 -7.623 -2.379 1.00 0.00 N ATOM 1362 CA THR A 625 9.361 -6.715 -3.427 1.00 0.00 C ATOM 1363 C THR A 625 8.166 -5.943 -3.989 1.00 0.00 C ATOM 1364 O THR A 625 7.017 -6.327 -3.774 1.00 0.00 O ATOM 1365 CB THR A 625 10.107 -7.532 -4.484 1.00 0.00 C ATOM 1366 OG1 THR A 625 9.295 -8.688 -4.665 1.00 0.00 O ATOM 1367 CG2 THR A 625 11.435 -8.087 -3.965 1.00 0.00 C ATOM 0 H THR A 625 7.974 -7.964 -2.477 1.00 0.00 H new ATOM 0 HA THR A 625 10.043 -5.959 -3.038 1.00 0.00 H new ATOM 0 HB THR A 625 10.291 -6.910 -5.360 1.00 0.00 H new ATOM 0 HG1 THR A 625 9.704 -9.273 -5.336 1.00 0.00 H new ATOM 0 HG21 THR A 625 11.924 -8.658 -4.754 1.00 0.00 H new ATOM 0 HG22 THR A 625 12.080 -7.263 -3.661 1.00 0.00 H new ATOM 0 HG23 THR A 625 11.249 -8.736 -3.109 1.00 0.00 H new ATOM 1375 N ILE A 626 8.476 -4.867 -4.698 1.00 0.00 N ATOM 1376 CA ILE A 626 7.442 -4.038 -5.292 1.00 0.00 C ATOM 1377 C ILE A 626 7.617 -4.021 -6.812 1.00 0.00 C ATOM 1378 O ILE A 626 8.734 -3.889 -7.309 1.00 0.00 O ATOM 1379 CB ILE A 626 7.441 -2.645 -4.658 1.00 0.00 C ATOM 1380 CG1 ILE A 626 8.342 -2.606 -3.421 1.00 0.00 C ATOM 1381 CG2 ILE A 626 6.016 -2.186 -4.344 1.00 0.00 C ATOM 1382 CD1 ILE A 626 8.470 -1.180 -2.882 1.00 0.00 C ATOM 0 H ILE A 626 9.430 -4.551 -4.874 1.00 0.00 H new ATOM 0 HA ILE A 626 6.456 -4.456 -5.089 1.00 0.00 H new ATOM 0 HB ILE A 626 7.854 -1.940 -5.380 1.00 0.00 H new ATOM 0 HG12 ILE A 626 7.932 -3.256 -2.648 1.00 0.00 H new ATOM 0 HG13 ILE A 626 9.329 -2.994 -3.673 1.00 0.00 H new ATOM 0 HG21 ILE A 626 6.044 -1.193 -3.894 1.00 0.00 H new ATOM 0 HG22 ILE A 626 5.434 -2.151 -5.265 1.00 0.00 H new ATOM 0 HG23 ILE A 626 5.553 -2.886 -3.649 1.00 0.00 H new ATOM 0 HD11 ILE A 626 9.115 -1.180 -2.003 1.00 0.00 H new ATOM 0 HD12 ILE A 626 8.902 -0.538 -3.650 1.00 0.00 H new ATOM 0 HD13 ILE A 626 7.484 -0.805 -2.608 1.00 0.00 H new ATOM 1394 N ARG A 627 6.497 -4.157 -7.506 1.00 0.00 N ATOM 1395 CA ARG A 627 6.514 -4.159 -8.959 1.00 0.00 C ATOM 1396 C ARG A 627 5.583 -3.073 -9.502 1.00 0.00 C ATOM 1397 O ARG A 627 4.389 -3.070 -9.209 1.00 0.00 O ATOM 1398 CB ARG A 627 6.078 -5.518 -9.513 1.00 0.00 C ATOM 1399 CG ARG A 627 6.789 -5.826 -10.832 1.00 0.00 C ATOM 1400 CD ARG A 627 7.819 -6.942 -10.652 1.00 0.00 C ATOM 1401 NE ARG A 627 9.104 -6.551 -11.275 1.00 0.00 N ATOM 1402 CZ ARG A 627 10.205 -7.331 -11.291 1.00 0.00 C ATOM 1403 NH1 ARG A 627 10.188 -8.553 -10.718 1.00 0.00 N ATOM 1404 NH2 ARG A 627 11.300 -6.881 -11.877 1.00 0.00 N ATOM 0 H ARG A 627 5.572 -4.267 -7.090 1.00 0.00 H new ATOM 0 HA ARG A 627 7.537 -3.960 -9.279 1.00 0.00 H new ATOM 0 HB2 ARG A 627 6.299 -6.299 -8.786 1.00 0.00 H new ATOM 0 HB3 ARG A 627 4.999 -5.522 -9.668 1.00 0.00 H new ATOM 0 HG2 ARG A 627 6.057 -6.120 -11.584 1.00 0.00 H new ATOM 0 HG3 ARG A 627 7.282 -4.927 -11.202 1.00 0.00 H new ATOM 0 HD2 ARG A 627 7.966 -7.144 -9.591 1.00 0.00 H new ATOM 0 HD3 ARG A 627 7.452 -7.863 -11.104 1.00 0.00 H new ATOM 0 HE ARG A 627 9.161 -5.635 -11.720 1.00 0.00 H new ATOM 0 HH11 ARG A 627 9.338 -8.894 -10.268 1.00 0.00 H new ATOM 0 HH12 ARG A 627 11.025 -9.136 -10.735 1.00 0.00 H new ATOM 0 HH21 ARG A 627 11.305 -5.957 -12.308 1.00 0.00 H new ATOM 0 HH22 ARG A 627 12.141 -7.458 -11.898 1.00 0.00 H new ATOM 1417 N THR A 628 6.166 -2.176 -10.284 1.00 0.00 N ATOM 1418 CA THR A 628 5.404 -1.087 -10.870 1.00 0.00 C ATOM 1419 C THR A 628 4.579 -1.591 -12.057 1.00 0.00 C ATOM 1420 O THR A 628 4.971 -2.544 -12.729 1.00 0.00 O ATOM 1421 CB THR A 628 6.383 0.029 -11.241 1.00 0.00 C ATOM 1422 OG1 THR A 628 7.614 -0.379 -10.651 1.00 0.00 O ATOM 1423 CG2 THR A 628 6.056 1.351 -10.544 1.00 0.00 C ATOM 0 H THR A 628 7.157 -2.181 -10.525 1.00 0.00 H new ATOM 0 HA THR A 628 4.682 -0.683 -10.160 1.00 0.00 H new ATOM 0 HB THR A 628 6.373 0.176 -12.321 1.00 0.00 H new ATOM 0 HG1 THR A 628 8.306 0.288 -10.844 1.00 0.00 H new ATOM 0 HG21 THR A 628 6.781 2.108 -10.842 1.00 0.00 H new ATOM 0 HG22 THR A 628 5.055 1.675 -10.829 1.00 0.00 H new ATOM 0 HG23 THR A 628 6.099 1.213 -9.464 1.00 0.00 H new ATOM 1431 N GLY A 629 3.453 -0.928 -12.277 1.00 0.00 N ATOM 1432 CA GLY A 629 2.570 -1.297 -13.371 1.00 0.00 C ATOM 1433 C GLY A 629 1.400 -2.145 -12.868 1.00 0.00 C ATOM 1434 O GLY A 629 1.563 -2.959 -11.960 1.00 0.00 O ATOM 0 H GLY A 629 3.132 -0.138 -11.717 1.00 0.00 H new ATOM 0 HA2 GLY A 629 2.190 -0.398 -13.856 1.00 0.00 H new ATOM 0 HA3 GLY A 629 3.130 -1.853 -14.123 1.00 0.00 H new ATOM 1438 N ALA A 630 0.245 -1.925 -13.480 1.00 0.00 N ATOM 1439 CA ALA A 630 -0.952 -2.659 -13.106 1.00 0.00 C ATOM 1440 C ALA A 630 -0.706 -4.157 -13.294 1.00 0.00 C ATOM 1441 O ALA A 630 -0.467 -4.616 -14.410 1.00 0.00 O ATOM 1442 CB ALA A 630 -2.138 -2.155 -13.930 1.00 0.00 C ATOM 0 H ALA A 630 0.113 -1.249 -14.232 1.00 0.00 H new ATOM 0 HA ALA A 630 -1.191 -2.494 -12.055 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -3.036 -2.706 -13.650 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -2.289 -1.093 -13.738 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -1.935 -2.307 -14.990 1.00 0.00 H new ATOM 1448 N PRO A 631 -0.775 -4.898 -12.155 1.00 0.00 N ATOM 1449 CA PRO A 631 -0.563 -6.335 -12.184 1.00 0.00 C ATOM 1450 C PRO A 631 -1.778 -7.058 -12.769 1.00 0.00 C ATOM 1451 O PRO A 631 -2.820 -6.444 -12.995 1.00 0.00 O ATOM 1452 CB PRO A 631 -0.281 -6.720 -10.741 1.00 0.00 C ATOM 1453 CG PRO A 631 -0.801 -5.571 -9.893 1.00 0.00 C ATOM 1454 CD PRO A 631 -1.055 -4.390 -10.816 1.00 0.00 C ATOM 0 HA PRO A 631 0.266 -6.624 -12.829 1.00 0.00 H new ATOM 0 HB2 PRO A 631 -0.780 -7.654 -10.481 1.00 0.00 H new ATOM 0 HB3 PRO A 631 0.786 -6.873 -10.579 1.00 0.00 H new ATOM 0 HG2 PRO A 631 -1.719 -5.859 -9.380 1.00 0.00 H new ATOM 0 HG3 PRO A 631 -0.076 -5.305 -9.124 1.00 0.00 H new ATOM 0 HD2 PRO A 631 -2.083 -4.037 -10.734 1.00 0.00 H new ATOM 0 HD3 PRO A 631 -0.408 -3.548 -10.569 1.00 0.00 H new ATOM 1462 N SER A 632 -1.605 -8.351 -12.996 1.00 0.00 N ATOM 1463 CA SER A 632 -2.675 -9.163 -13.550 1.00 0.00 C ATOM 1464 C SER A 632 -3.237 -8.500 -14.809 1.00 0.00 C ATOM 1465 O SER A 632 -4.360 -8.790 -15.219 1.00 0.00 O ATOM 1466 CB SER A 632 -3.788 -9.383 -12.524 1.00 0.00 C ATOM 1467 OG SER A 632 -3.440 -10.376 -11.563 1.00 0.00 O ATOM 0 H SER A 632 -0.740 -8.857 -12.806 1.00 0.00 H new ATOM 0 HA SER A 632 -2.263 -10.137 -13.813 1.00 0.00 H new ATOM 0 HB2 SER A 632 -4.001 -8.444 -12.014 1.00 0.00 H new ATOM 0 HB3 SER A 632 -4.702 -9.681 -13.039 1.00 0.00 H new ATOM 0 HG SER A 632 -3.213 -9.944 -10.713 1.00 0.00 H new ATOM 1473 N GLY A 633 -2.431 -7.622 -15.388 1.00 0.00 N ATOM 1474 CA GLY A 633 -2.834 -6.916 -16.591 1.00 0.00 C ATOM 1475 C GLY A 633 -1.615 -6.386 -17.350 1.00 0.00 C ATOM 1476 O GLY A 633 -0.477 -6.639 -16.958 1.00 0.00 O ATOM 0 H GLY A 633 -1.500 -7.384 -15.045 1.00 0.00 H new ATOM 0 HA2 GLY A 633 -3.406 -7.584 -17.235 1.00 0.00 H new ATOM 0 HA3 GLY A 633 -3.492 -6.087 -16.328 1.00 0.00 H new TER 1480 GLY A 633