USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1053 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 664 ASN : amide:sc= -3.29! C(o=-3.7!,f=-7.3!) USER MOD Set 1.2: A 667 LYS NZ :NH3+ -152:sc= -0.387 (180deg=-1.91!) USER MOD Set 2.1: A 644 CYS SG : rot 100:sc= -5.67! USER MOD Set 2.2: A 657 HIS : no HD1:sc= -4.14! C(o=-24!,f=-25!) USER MOD Set 2.3: A 673 HIS : no HE2:sc= -14.1! C(o=-24!,f=-25!) USER MOD Set 3.1: A 552 THR OG1 : rot -55:sc= -0.0881 USER MOD Set 3.2: A 553 GLN :FLIP amide:sc= -0.275 F(o=-5,f=-0.36) USER MOD Single : A 543 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 547 SER OG : rot -33:sc= 0.653 USER MOD Single : A 549 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 550 TYR OH : rot -21:sc= 0.846 USER MOD Single : A 551 SER OG : rot 180:sc= 0 USER MOD Single : A 554 GLN : amide:sc= -0.0187 X(o=-0.019,f=-0.019) USER MOD Single : A 564 CYS SG : rot -88:sc= -4.79! USER MOD Single : A 566 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 570 MET CE :methyl -164:sc= -0.126 (180deg=-0.452) USER MOD Single : A 573 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 575 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 SER OG : rot 156:sc= -0.446! USER MOD Single : A 581 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 585 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 593 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 594 HIS : no HD1:sc= -3.94! C(o=-3.9!,f=-5.1!) USER MOD Single : A 595 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 596 THR OG1 : rot 135:sc= 1.11 USER MOD Single : A 597 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 599 LYS NZ :NH3+ -128:sc= -0.062 (180deg=-2.33!) USER MOD Single : A 600 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 601 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 602 THR OG1 : rot 180:sc= 0 USER MOD Single : A 604 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.038) USER MOD Single : A 608 ASN : amide:sc= -0.0356 X(o=-0.036,f=0) USER MOD Single : A 613 TYR OH : rot -117:sc= 1.18 USER MOD Single : A 616 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 617 HIS : no HD1:sc= -3.66! C(o=-3.7!,f=-13!) USER MOD Single : A 618 SER OG : rot 180:sc= 0.112 USER MOD Single : A 622 LYS NZ :NH3+ -151:sc= -0.0675 (180deg=-0.654) USER MOD Single : A 623 LYS NZ :NH3+ -117:sc= 0.053 (180deg=-0.742) USER MOD Single : A 624 SER OG : rot 180:sc= -0.0752 USER MOD Single : A 628 SER OG : rot 20:sc= 0.793 USER MOD Single : A 632 TYR OH : rot 180:sc= 0 USER MOD Single : A 636 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 637 SER OG : rot 180:sc= 0.0656 USER MOD Single : A 638 ASN : amide:sc= -0.217 X(o=-0.22,f=-0.35) USER MOD Single : A 640 TYR OH : rot 180:sc= 0 USER MOD Single : A 645 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 649 SER OG : rot -50:sc= 0.0503 USER MOD Single : A 656 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 659 TYR OH : rot 180:sc= 0 USER MOD Single : A 661 CYS SG : rot -28:sc= -4.54! USER MOD Single : A 663 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 665 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 668 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 674 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 676 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 677 ASN : amide:sc= -0.515 X(o=-0.51,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 27 N GLY A 542 -3.004 -9.835 9.346 1.00 0.00 N ATOM 28 CA GLY A 542 -4.072 -9.390 8.471 1.00 0.00 C ATOM 29 C GLY A 542 -3.618 -9.222 7.034 1.00 0.00 C ATOM 30 O GLY A 542 -2.436 -9.372 6.726 1.00 0.00 O ATOM 0 HA2 GLY A 542 -4.890 -10.109 8.508 1.00 0.00 H new ATOM 0 HA3 GLY A 542 -4.465 -8.441 8.837 1.00 0.00 H new ATOM 34 N LYS A 543 -4.562 -8.905 6.154 1.00 0.00 N ATOM 35 CA LYS A 543 -4.262 -8.709 4.740 1.00 0.00 C ATOM 36 C LYS A 543 -4.914 -7.426 4.235 1.00 0.00 C ATOM 37 O LYS A 543 -6.072 -7.147 4.544 1.00 0.00 O ATOM 38 CB LYS A 543 -4.752 -9.903 3.921 1.00 0.00 C ATOM 39 CG LYS A 543 -4.578 -11.237 4.628 1.00 0.00 C ATOM 40 CD LYS A 543 -4.632 -12.398 3.647 1.00 0.00 C ATOM 41 CE LYS A 543 -5.883 -13.238 3.847 1.00 0.00 C ATOM 42 NZ LYS A 543 -6.383 -13.803 2.564 1.00 0.00 N ATOM 0 H LYS A 543 -5.545 -8.778 6.396 1.00 0.00 H new ATOM 0 HA LYS A 543 -3.181 -8.625 4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 543 -5.806 -9.762 3.683 1.00 0.00 H new ATOM 0 HB3 LYS A 543 -4.213 -9.930 2.974 1.00 0.00 H new ATOM 0 HG2 LYS A 543 -3.624 -11.249 5.156 1.00 0.00 H new ATOM 0 HG3 LYS A 543 -5.359 -11.357 5.379 1.00 0.00 H new ATOM 0 HD2 LYS A 543 -4.609 -12.015 2.627 1.00 0.00 H new ATOM 0 HD3 LYS A 543 -3.748 -13.024 3.773 1.00 0.00 H new ATOM 0 HE2 LYS A 543 -5.668 -14.050 4.542 1.00 0.00 H new ATOM 0 HE3 LYS A 543 -6.662 -12.627 4.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 -7.237 -14.369 2.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 -6.613 -13.028 1.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 -5.649 -14.407 2.141 1.00 0.00 H new ATOM 56 N ILE A 544 -4.166 -6.644 3.465 1.00 0.00 N ATOM 57 CA ILE A 544 -4.685 -5.391 2.934 1.00 0.00 C ATOM 58 C ILE A 544 -4.841 -5.442 1.418 1.00 0.00 C ATOM 59 O ILE A 544 -3.912 -5.807 0.697 1.00 0.00 O ATOM 60 CB ILE A 544 -3.783 -4.198 3.319 1.00 0.00 C ATOM 61 CG1 ILE A 544 -4.599 -2.904 3.341 1.00 0.00 C ATOM 62 CG2 ILE A 544 -2.607 -4.071 2.361 1.00 0.00 C ATOM 63 CD1 ILE A 544 -4.833 -2.314 1.967 1.00 0.00 C ATOM 0 H ILE A 544 -3.205 -6.854 3.196 1.00 0.00 H new ATOM 0 HA ILE A 544 -5.669 -5.249 3.381 1.00 0.00 H new ATOM 0 HB ILE A 544 -3.385 -4.379 4.317 1.00 0.00 H new ATOM 0 HG12 ILE A 544 -5.562 -3.099 3.813 1.00 0.00 H new ATOM 0 HG13 ILE A 544 -4.084 -2.170 3.960 1.00 0.00 H new ATOM 0 HG21 ILE A 544 -1.988 -3.223 2.655 1.00 0.00 H new ATOM 0 HG22 ILE A 544 -2.011 -4.983 2.393 1.00 0.00 H new ATOM 0 HG23 ILE A 544 -2.978 -3.915 1.348 1.00 0.00 H new ATOM 0 HD11 ILE A 544 -5.418 -1.399 2.059 1.00 0.00 H new ATOM 0 HD12 ILE A 544 -3.874 -2.087 1.500 1.00 0.00 H new ATOM 0 HD13 ILE A 544 -5.376 -3.031 1.351 1.00 0.00 H new ATOM 75 N LEU A 545 -6.023 -5.063 0.944 1.00 0.00 N ATOM 76 CA LEU A 545 -6.311 -5.053 -0.484 1.00 0.00 C ATOM 77 C LEU A 545 -5.718 -3.811 -1.131 1.00 0.00 C ATOM 78 O LEU A 545 -6.123 -2.688 -0.829 1.00 0.00 O ATOM 79 CB LEU A 545 -7.821 -5.091 -0.722 1.00 0.00 C ATOM 80 CG LEU A 545 -8.245 -5.354 -2.169 1.00 0.00 C ATOM 81 CD1 LEU A 545 -7.957 -6.791 -2.563 1.00 0.00 C ATOM 82 CD2 LEU A 545 -9.721 -5.043 -2.356 1.00 0.00 C ATOM 0 H LEU A 545 -6.799 -4.758 1.531 1.00 0.00 H new ATOM 0 HA LEU A 545 -5.860 -5.938 -0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 545 -8.254 -5.864 -0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 545 -8.247 -4.140 -0.402 1.00 0.00 H new ATOM 0 HG LEU A 545 -7.664 -4.697 -2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 545 -8.267 -6.954 -3.595 1.00 0.00 H new ATOM 0 HD12 LEU A 545 -6.889 -6.987 -2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 545 -8.508 -7.465 -1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 545 -10.005 -5.236 -3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 545 -10.313 -5.675 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 545 -9.905 -3.995 -2.118 1.00 0.00 H new ATOM 94 N VAL A 546 -4.751 -4.014 -2.015 1.00 0.00 N ATOM 95 CA VAL A 546 -4.101 -2.904 -2.692 1.00 0.00 C ATOM 96 C VAL A 546 -4.383 -2.926 -4.189 1.00 0.00 C ATOM 97 O VAL A 546 -4.212 -3.952 -4.849 1.00 0.00 O ATOM 98 CB VAL A 546 -2.578 -2.932 -2.476 1.00 0.00 C ATOM 99 CG1 VAL A 546 -1.898 -1.882 -3.340 1.00 0.00 C ATOM 100 CG2 VAL A 546 -2.242 -2.727 -1.006 1.00 0.00 C ATOM 0 H VAL A 546 -4.401 -4.935 -2.279 1.00 0.00 H new ATOM 0 HA VAL A 546 -4.511 -1.991 -2.260 1.00 0.00 H new ATOM 0 HB VAL A 546 -2.204 -3.911 -2.775 1.00 0.00 H new ATOM 0 HG11 VAL A 546 -0.821 -1.916 -3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 546 -2.110 -2.082 -4.390 1.00 0.00 H new ATOM 0 HG13 VAL A 546 -2.275 -0.894 -3.076 1.00 0.00 H new ATOM 0 HG21 VAL A 546 -1.160 -2.750 -0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 546 -2.628 -1.763 -0.676 1.00 0.00 H new ATOM 0 HG23 VAL A 546 -2.697 -3.522 -0.415 1.00 0.00 H new ATOM 110 N SER A 547 -4.804 -1.785 -4.724 1.00 0.00 N ATOM 111 CA SER A 547 -5.093 -1.674 -6.146 1.00 0.00 C ATOM 112 C SER A 547 -4.079 -0.758 -6.822 1.00 0.00 C ATOM 113 O SER A 547 -3.731 0.293 -6.287 1.00 0.00 O ATOM 114 CB SER A 547 -6.510 -1.145 -6.370 1.00 0.00 C ATOM 115 OG SER A 547 -7.089 -1.710 -7.535 1.00 0.00 O ATOM 0 H SER A 547 -4.952 -0.926 -4.194 1.00 0.00 H new ATOM 0 HA SER A 547 -5.021 -2.668 -6.588 1.00 0.00 H new ATOM 0 HB2 SER A 547 -7.129 -1.377 -5.503 1.00 0.00 H new ATOM 0 HB3 SER A 547 -6.486 -0.059 -6.463 1.00 0.00 H new ATOM 0 HG SER A 547 -6.389 -1.875 -8.201 1.00 0.00 H new ATOM 121 N LEU A 548 -3.600 -1.163 -7.990 1.00 0.00 N ATOM 122 CA LEU A 548 -2.618 -0.371 -8.719 1.00 0.00 C ATOM 123 C LEU A 548 -3.148 0.060 -10.081 1.00 0.00 C ATOM 124 O LEU A 548 -4.124 -0.493 -10.586 1.00 0.00 O ATOM 125 CB LEU A 548 -1.325 -1.166 -8.895 1.00 0.00 C ATOM 126 CG LEU A 548 -0.520 -1.378 -7.612 1.00 0.00 C ATOM 127 CD1 LEU A 548 0.885 -1.850 -7.939 1.00 0.00 C ATOM 128 CD2 LEU A 548 -0.479 -0.095 -6.794 1.00 0.00 C ATOM 0 H LEU A 548 -3.873 -2.031 -8.452 1.00 0.00 H new ATOM 0 HA LEU A 548 -2.416 0.527 -8.134 1.00 0.00 H new ATOM 0 HB2 LEU A 548 -1.569 -2.140 -9.319 1.00 0.00 H new ATOM 0 HB3 LEU A 548 -0.695 -0.652 -9.621 1.00 0.00 H new ATOM 0 HG LEU A 548 -1.010 -2.149 -7.018 1.00 0.00 H new ATOM 0 HD11 LEU A 548 1.444 -1.996 -7.015 1.00 0.00 H new ATOM 0 HD12 LEU A 548 0.835 -2.792 -8.485 1.00 0.00 H new ATOM 0 HD13 LEU A 548 1.387 -1.102 -8.552 1.00 0.00 H new ATOM 0 HD21 LEU A 548 0.097 -0.262 -5.884 1.00 0.00 H new ATOM 0 HD22 LEU A 548 -0.011 0.696 -7.380 1.00 0.00 H new ATOM 0 HD23 LEU A 548 -1.494 0.201 -6.531 1.00 0.00 H new ATOM 140 N MET A 549 -2.491 1.054 -10.667 1.00 0.00 N ATOM 141 CA MET A 549 -2.878 1.578 -11.972 1.00 0.00 C ATOM 142 C MET A 549 -2.037 2.797 -12.322 1.00 0.00 C ATOM 143 O MET A 549 -1.979 3.760 -11.558 1.00 0.00 O ATOM 144 CB MET A 549 -4.360 1.956 -11.981 1.00 0.00 C ATOM 145 CG MET A 549 -5.019 1.806 -13.343 1.00 0.00 C ATOM 146 SD MET A 549 -5.290 3.390 -14.162 1.00 0.00 S ATOM 147 CE MET A 549 -7.034 3.642 -13.845 1.00 0.00 C ATOM 0 H MET A 549 -1.681 1.517 -10.255 1.00 0.00 H new ATOM 0 HA MET A 549 -2.707 0.800 -12.716 1.00 0.00 H new ATOM 0 HB2 MET A 549 -4.889 1.333 -11.260 1.00 0.00 H new ATOM 0 HB3 MET A 549 -4.465 2.989 -11.648 1.00 0.00 H new ATOM 0 HG2 MET A 549 -4.395 1.176 -13.977 1.00 0.00 H new ATOM 0 HG3 MET A 549 -5.974 1.294 -13.226 1.00 0.00 H new ATOM 0 HE1 MET A 549 -7.352 4.584 -14.291 1.00 0.00 H new ATOM 0 HE2 MET A 549 -7.605 2.823 -14.281 1.00 0.00 H new ATOM 0 HE3 MET A 549 -7.208 3.673 -12.769 1.00 0.00 H new ATOM 157 N TYR A 550 -1.388 2.759 -13.479 1.00 0.00 N ATOM 158 CA TYR A 550 -0.559 3.874 -13.914 1.00 0.00 C ATOM 159 C TYR A 550 -1.249 4.666 -15.016 1.00 0.00 C ATOM 160 O TYR A 550 -1.783 4.095 -15.966 1.00 0.00 O ATOM 161 CB TYR A 550 0.802 3.380 -14.406 1.00 0.00 C ATOM 162 CG TYR A 550 1.792 4.500 -14.635 1.00 0.00 C ATOM 163 CD1 TYR A 550 2.600 4.959 -13.603 1.00 0.00 C ATOM 164 CD2 TYR A 550 1.913 5.102 -15.880 1.00 0.00 C ATOM 165 CE1 TYR A 550 3.501 5.987 -13.805 1.00 0.00 C ATOM 166 CE2 TYR A 550 2.810 6.131 -16.092 1.00 0.00 C ATOM 167 CZ TYR A 550 3.603 6.569 -15.051 1.00 0.00 C ATOM 168 OH TYR A 550 4.497 7.594 -15.257 1.00 0.00 O ATOM 0 H TYR A 550 -1.419 1.973 -14.129 1.00 0.00 H new ATOM 0 HA TYR A 550 -0.407 4.528 -13.055 1.00 0.00 H new ATOM 0 HB2 TYR A 550 1.214 2.682 -13.677 1.00 0.00 H new ATOM 0 HB3 TYR A 550 0.667 2.827 -15.335 1.00 0.00 H new ATOM 0 HD1 TYR A 550 2.523 4.505 -12.626 1.00 0.00 H new ATOM 0 HD2 TYR A 550 1.295 4.760 -16.697 1.00 0.00 H new ATOM 0 HE1 TYR A 550 4.122 6.333 -12.992 1.00 0.00 H new ATOM 0 HE2 TYR A 550 2.890 6.590 -17.066 1.00 0.00 H new ATOM 0 HH TYR A 550 4.725 8.007 -14.398 1.00 0.00 H new ATOM 178 N SER A 551 -1.233 5.986 -14.882 1.00 0.00 N ATOM 179 CA SER A 551 -1.855 6.859 -15.869 1.00 0.00 C ATOM 180 C SER A 551 -0.799 7.575 -16.702 1.00 0.00 C ATOM 181 O SER A 551 -0.419 8.706 -16.400 1.00 0.00 O ATOM 182 CB SER A 551 -2.757 7.885 -15.178 1.00 0.00 C ATOM 183 OG SER A 551 -4.083 7.816 -15.675 1.00 0.00 O ATOM 0 H SER A 551 -0.797 6.475 -14.100 1.00 0.00 H new ATOM 0 HA SER A 551 -2.460 6.242 -16.533 1.00 0.00 H new ATOM 0 HB2 SER A 551 -2.759 7.706 -14.103 1.00 0.00 H new ATOM 0 HB3 SER A 551 -2.359 8.888 -15.334 1.00 0.00 H new ATOM 0 HG SER A 551 -4.639 8.480 -15.216 1.00 0.00 H new ATOM 189 N THR A 552 -0.333 6.913 -17.757 1.00 0.00 N ATOM 190 CA THR A 552 0.677 7.498 -18.634 1.00 0.00 C ATOM 191 C THR A 552 0.260 8.901 -19.045 1.00 0.00 C ATOM 192 O THR A 552 1.082 9.816 -19.105 1.00 0.00 O ATOM 193 CB THR A 552 0.884 6.631 -19.878 1.00 0.00 C ATOM 194 OG1 THR A 552 -0.009 7.012 -20.909 1.00 0.00 O ATOM 195 CG2 THR A 552 0.682 5.155 -19.619 1.00 0.00 C ATOM 0 H THR A 552 -0.636 5.977 -18.025 1.00 0.00 H new ATOM 0 HA THR A 552 1.619 7.548 -18.087 1.00 0.00 H new ATOM 0 HB THR A 552 1.921 6.793 -20.173 1.00 0.00 H new ATOM 0 HG1 THR A 552 -0.929 6.980 -20.573 1.00 0.00 H new ATOM 0 HG21 THR A 552 0.844 4.598 -20.542 1.00 0.00 H new ATOM 0 HG22 THR A 552 1.391 4.818 -18.863 1.00 0.00 H new ATOM 0 HG23 THR A 552 -0.335 4.983 -19.265 1.00 0.00 H new ATOM 203 N GLN A 553 -1.030 9.065 -19.316 1.00 0.00 N ATOM 204 CA GLN A 553 -1.569 10.361 -19.708 1.00 0.00 C ATOM 205 C GLN A 553 -1.143 11.425 -18.708 1.00 0.00 C ATOM 206 O GLN A 553 -0.642 12.484 -19.082 1.00 0.00 O ATOM 207 CB GLN A 553 -3.094 10.298 -19.784 1.00 0.00 C ATOM 208 CG GLN A 553 -3.626 10.074 -21.191 1.00 0.00 C ATOM 209 CD GLN A 553 -3.437 8.648 -21.666 1.00 0.00 C ATOM 210 OE1 GLN A 553 -2.187 8.205 -21.726 1.00 0.00 O flip ATOM 211 NE2 GLN A 553 -4.404 7.951 -21.975 1.00 0.00 N flip ATOM 0 H GLN A 553 -1.721 8.316 -19.271 1.00 0.00 H new ATOM 0 HA GLN A 553 -1.178 10.620 -20.692 1.00 0.00 H new ATOM 0 HB2 GLN A 553 -3.448 9.494 -19.139 1.00 0.00 H new ATOM 0 HB3 GLN A 553 -3.507 11.227 -19.392 1.00 0.00 H new ATOM 0 HG2 GLN A 553 -4.686 10.324 -21.218 1.00 0.00 H new ATOM 0 HG3 GLN A 553 -3.120 10.752 -21.879 1.00 0.00 H new ATOM 0 HE21 GLN A 553 -5.348 8.332 -21.914 1.00 0.00 H new ATOM 0 HE22 GLN A 553 -4.261 6.992 -22.292 1.00 0.00 H new ATOM 220 N GLN A 554 -1.342 11.124 -17.430 1.00 0.00 N ATOM 221 CA GLN A 554 -0.973 12.041 -16.360 1.00 0.00 C ATOM 222 C GLN A 554 0.517 11.935 -16.059 1.00 0.00 C ATOM 223 O GLN A 554 1.100 12.818 -15.429 1.00 0.00 O ATOM 224 CB GLN A 554 -1.785 11.742 -15.099 1.00 0.00 C ATOM 225 CG GLN A 554 -3.287 11.819 -15.311 1.00 0.00 C ATOM 226 CD GLN A 554 -3.754 13.214 -15.678 1.00 0.00 C ATOM 227 OE1 GLN A 554 -4.006 13.510 -16.846 1.00 0.00 O ATOM 228 NE2 GLN A 554 -3.871 14.080 -14.679 1.00 0.00 N ATOM 0 H GLN A 554 -1.758 10.249 -17.110 1.00 0.00 H new ATOM 0 HA GLN A 554 -1.193 13.057 -16.687 1.00 0.00 H new ATOM 0 HB2 GLN A 554 -1.528 10.746 -14.739 1.00 0.00 H new ATOM 0 HB3 GLN A 554 -1.500 12.447 -14.318 1.00 0.00 H new ATOM 0 HG2 GLN A 554 -3.575 11.124 -16.100 1.00 0.00 H new ATOM 0 HG3 GLN A 554 -3.795 11.497 -14.402 1.00 0.00 H new ATOM 0 HE21 GLN A 554 -3.651 13.792 -13.726 1.00 0.00 H new ATOM 0 HE22 GLN A 554 -4.181 15.034 -14.865 1.00 0.00 H new ATOM 237 N GLY A 555 1.127 10.846 -16.517 1.00 0.00 N ATOM 238 CA GLY A 555 2.545 10.640 -16.293 1.00 0.00 C ATOM 239 C GLY A 555 2.861 10.305 -14.849 1.00 0.00 C ATOM 240 O GLY A 555 3.844 10.795 -14.293 1.00 0.00 O ATOM 0 H GLY A 555 0.664 10.103 -17.039 1.00 0.00 H new ATOM 0 HA2 GLY A 555 2.898 9.833 -16.935 1.00 0.00 H new ATOM 0 HA3 GLY A 555 3.090 11.539 -16.582 1.00 0.00 H new ATOM 244 N GLY A 556 2.025 9.470 -14.240 1.00 0.00 N ATOM 245 CA GLY A 556 2.241 9.089 -12.856 1.00 0.00 C ATOM 246 C GLY A 556 1.549 7.790 -12.492 1.00 0.00 C ATOM 247 O GLY A 556 0.654 7.333 -13.205 1.00 0.00 O ATOM 0 H GLY A 556 1.204 9.052 -14.678 1.00 0.00 H new ATOM 0 HA2 GLY A 556 3.311 8.989 -12.674 1.00 0.00 H new ATOM 0 HA3 GLY A 556 1.879 9.884 -12.204 1.00 0.00 H new ATOM 251 N LEU A 557 1.961 7.197 -11.376 1.00 0.00 N ATOM 252 CA LEU A 557 1.376 5.945 -10.913 1.00 0.00 C ATOM 253 C LEU A 557 0.171 6.211 -10.017 1.00 0.00 C ATOM 254 O LEU A 557 0.042 7.292 -9.444 1.00 0.00 O ATOM 255 CB LEU A 557 2.417 5.122 -10.150 1.00 0.00 C ATOM 256 CG LEU A 557 1.842 4.056 -9.215 1.00 0.00 C ATOM 257 CD1 LEU A 557 1.361 2.852 -10.010 1.00 0.00 C ATOM 258 CD2 LEU A 557 2.878 3.637 -8.184 1.00 0.00 C ATOM 0 H LEU A 557 2.699 7.565 -10.775 1.00 0.00 H new ATOM 0 HA LEU A 557 1.045 5.382 -11.786 1.00 0.00 H new ATOM 0 HB2 LEU A 557 3.073 4.635 -10.872 1.00 0.00 H new ATOM 0 HB3 LEU A 557 3.036 5.801 -9.564 1.00 0.00 H new ATOM 0 HG LEU A 557 0.988 4.483 -8.690 1.00 0.00 H new ATOM 0 HD11 LEU A 557 0.955 2.104 -9.328 1.00 0.00 H new ATOM 0 HD12 LEU A 557 0.585 3.164 -10.709 1.00 0.00 H new ATOM 0 HD13 LEU A 557 2.197 2.423 -10.563 1.00 0.00 H new ATOM 0 HD21 LEU A 557 2.452 2.878 -7.527 1.00 0.00 H new ATOM 0 HD22 LEU A 557 3.752 3.228 -8.692 1.00 0.00 H new ATOM 0 HD23 LEU A 557 3.174 4.504 -7.593 1.00 0.00 H new ATOM 270 N ILE A 558 -0.707 5.222 -9.898 1.00 0.00 N ATOM 271 CA ILE A 558 -1.896 5.357 -9.065 1.00 0.00 C ATOM 272 C ILE A 558 -2.014 4.193 -8.087 1.00 0.00 C ATOM 273 O ILE A 558 -2.097 3.033 -8.493 1.00 0.00 O ATOM 274 CB ILE A 558 -3.185 5.435 -9.908 1.00 0.00 C ATOM 275 CG1 ILE A 558 -2.916 6.128 -11.249 1.00 0.00 C ATOM 276 CG2 ILE A 558 -4.271 6.167 -9.136 1.00 0.00 C ATOM 277 CD1 ILE A 558 -3.031 7.634 -11.187 1.00 0.00 C ATOM 0 H ILE A 558 -0.619 4.320 -10.366 1.00 0.00 H new ATOM 0 HA ILE A 558 -1.783 6.290 -8.513 1.00 0.00 H new ATOM 0 HB ILE A 558 -3.526 4.421 -10.115 1.00 0.00 H new ATOM 0 HG12 ILE A 558 -1.916 5.862 -11.591 1.00 0.00 H new ATOM 0 HG13 ILE A 558 -3.618 5.749 -11.991 1.00 0.00 H new ATOM 0 HG21 ILE A 558 -5.177 6.216 -9.740 1.00 0.00 H new ATOM 0 HG22 ILE A 558 -4.482 5.633 -8.209 1.00 0.00 H new ATOM 0 HG23 ILE A 558 -3.934 7.177 -8.904 1.00 0.00 H new ATOM 0 HD11 ILE A 558 -2.828 8.055 -12.172 1.00 0.00 H new ATOM 0 HD12 ILE A 558 -4.039 7.909 -10.875 1.00 0.00 H new ATOM 0 HD13 ILE A 558 -2.310 8.025 -10.469 1.00 0.00 H new ATOM 289 N VAL A 559 -2.022 4.511 -6.798 1.00 0.00 N ATOM 290 CA VAL A 559 -2.131 3.498 -5.758 1.00 0.00 C ATOM 291 C VAL A 559 -3.500 3.553 -5.096 1.00 0.00 C ATOM 292 O VAL A 559 -3.902 4.588 -4.574 1.00 0.00 O ATOM 293 CB VAL A 559 -1.048 3.694 -4.688 1.00 0.00 C ATOM 294 CG1 VAL A 559 -0.717 2.378 -4.009 1.00 0.00 C ATOM 295 CG2 VAL A 559 0.195 4.316 -5.301 1.00 0.00 C ATOM 0 H VAL A 559 -1.954 5.467 -6.448 1.00 0.00 H new ATOM 0 HA VAL A 559 -1.996 2.525 -6.231 1.00 0.00 H new ATOM 0 HB VAL A 559 -1.433 4.375 -3.929 1.00 0.00 H new ATOM 0 HG11 VAL A 559 0.053 2.541 -3.255 1.00 0.00 H new ATOM 0 HG12 VAL A 559 -1.613 1.979 -3.533 1.00 0.00 H new ATOM 0 HG13 VAL A 559 -0.353 1.667 -4.751 1.00 0.00 H new ATOM 0 HG21 VAL A 559 0.954 4.449 -4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 559 0.582 3.661 -6.082 1.00 0.00 H new ATOM 0 HG23 VAL A 559 -0.058 5.285 -5.732 1.00 0.00 H new ATOM 305 N GLY A 560 -4.217 2.440 -5.128 1.00 0.00 N ATOM 306 CA GLY A 560 -5.540 2.403 -4.537 1.00 0.00 C ATOM 307 C GLY A 560 -5.625 1.522 -3.308 1.00 0.00 C ATOM 308 O GLY A 560 -5.491 0.302 -3.395 1.00 0.00 O ATOM 0 H GLY A 560 -3.909 1.564 -5.551 1.00 0.00 H new ATOM 0 HA2 GLY A 560 -5.839 3.417 -4.270 1.00 0.00 H new ATOM 0 HA3 GLY A 560 -6.252 2.046 -5.281 1.00 0.00 H new ATOM 312 N ILE A 561 -5.872 2.144 -2.160 1.00 0.00 N ATOM 313 CA ILE A 561 -6.003 1.414 -0.905 1.00 0.00 C ATOM 314 C ILE A 561 -7.468 1.091 -0.646 1.00 0.00 C ATOM 315 O ILE A 561 -8.226 1.937 -0.172 1.00 0.00 O ATOM 316 CB ILE A 561 -5.443 2.222 0.282 1.00 0.00 C ATOM 317 CG1 ILE A 561 -3.999 2.640 0.003 1.00 0.00 C ATOM 318 CG2 ILE A 561 -5.526 1.408 1.565 1.00 0.00 C ATOM 319 CD1 ILE A 561 -3.042 1.473 -0.096 1.00 0.00 C ATOM 0 H ILE A 561 -5.986 3.154 -2.073 1.00 0.00 H new ATOM 0 HA ILE A 561 -5.426 0.493 -0.995 1.00 0.00 H new ATOM 0 HB ILE A 561 -6.046 3.121 0.407 1.00 0.00 H new ATOM 0 HG12 ILE A 561 -3.966 3.206 -0.928 1.00 0.00 H new ATOM 0 HG13 ILE A 561 -3.663 3.309 0.795 1.00 0.00 H new ATOM 0 HG21 ILE A 561 -5.127 1.993 2.393 1.00 0.00 H new ATOM 0 HG22 ILE A 561 -6.566 1.154 1.768 1.00 0.00 H new ATOM 0 HG23 ILE A 561 -4.945 0.493 1.454 1.00 0.00 H new ATOM 0 HD11 ILE A 561 -2.036 1.843 -0.295 1.00 0.00 H new ATOM 0 HD12 ILE A 561 -3.046 0.919 0.843 1.00 0.00 H new ATOM 0 HD13 ILE A 561 -3.354 0.815 -0.907 1.00 0.00 H new ATOM 331 N ILE A 562 -7.870 -0.130 -0.985 1.00 0.00 N ATOM 332 CA ILE A 562 -9.253 -0.547 -0.815 1.00 0.00 C ATOM 333 C ILE A 562 -9.604 -0.802 0.645 1.00 0.00 C ATOM 334 O ILE A 562 -10.316 -0.009 1.263 1.00 0.00 O ATOM 335 CB ILE A 562 -9.560 -1.812 -1.637 1.00 0.00 C ATOM 336 CG1 ILE A 562 -9.045 -1.652 -3.069 1.00 0.00 C ATOM 337 CG2 ILE A 562 -11.053 -2.096 -1.635 1.00 0.00 C ATOM 338 CD1 ILE A 562 -7.782 -2.436 -3.347 1.00 0.00 C ATOM 0 H ILE A 562 -7.258 -0.845 -1.378 1.00 0.00 H new ATOM 0 HA ILE A 562 -9.866 0.279 -1.177 1.00 0.00 H new ATOM 0 HB ILE A 562 -9.049 -2.658 -1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 562 -9.822 -1.971 -3.764 1.00 0.00 H new ATOM 0 HG13 ILE A 562 -8.858 -0.596 -3.264 1.00 0.00 H new ATOM 0 HG21 ILE A 562 -11.253 -2.993 -2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 562 -11.393 -2.248 -0.611 1.00 0.00 H new ATOM 0 HG23 ILE A 562 -11.585 -1.251 -2.073 1.00 0.00 H new ATOM 0 HD11 ILE A 562 -7.474 -2.276 -4.380 1.00 0.00 H new ATOM 0 HD12 ILE A 562 -6.991 -2.101 -2.677 1.00 0.00 H new ATOM 0 HD13 ILE A 562 -7.969 -3.497 -3.185 1.00 0.00 H new ATOM 350 N ARG A 563 -9.123 -1.911 1.196 1.00 0.00 N ATOM 351 CA ARG A 563 -9.424 -2.245 2.584 1.00 0.00 C ATOM 352 C ARG A 563 -8.487 -3.316 3.130 1.00 0.00 C ATOM 353 O ARG A 563 -7.715 -3.923 2.391 1.00 0.00 O ATOM 354 CB ARG A 563 -10.875 -2.725 2.697 1.00 0.00 C ATOM 355 CG ARG A 563 -11.040 -4.224 2.492 1.00 0.00 C ATOM 356 CD ARG A 563 -12.382 -4.560 1.861 1.00 0.00 C ATOM 357 NE ARG A 563 -13.489 -3.894 2.541 1.00 0.00 N ATOM 358 CZ ARG A 563 -14.717 -3.814 2.040 1.00 0.00 C ATOM 359 NH1 ARG A 563 -14.990 -4.353 0.859 1.00 0.00 N ATOM 360 NH2 ARG A 563 -15.673 -3.195 2.719 1.00 0.00 N ATOM 0 H ARG A 563 -8.531 -2.586 0.711 1.00 0.00 H new ATOM 0 HA ARG A 563 -9.280 -1.343 3.179 1.00 0.00 H new ATOM 0 HB2 ARG A 563 -11.262 -2.457 3.680 1.00 0.00 H new ATOM 0 HB3 ARG A 563 -11.482 -2.197 1.961 1.00 0.00 H new ATOM 0 HG2 ARG A 563 -10.236 -4.595 1.857 1.00 0.00 H new ATOM 0 HG3 ARG A 563 -10.950 -4.735 3.451 1.00 0.00 H new ATOM 0 HD2 ARG A 563 -12.372 -4.267 0.811 1.00 0.00 H new ATOM 0 HD3 ARG A 563 -12.536 -5.639 1.889 1.00 0.00 H new ATOM 0 HE ARG A 563 -13.310 -3.467 3.450 1.00 0.00 H new ATOM 0 HH11 ARG A 563 -14.257 -4.830 0.334 1.00 0.00 H new ATOM 0 HH12 ARG A 563 -15.933 -4.291 0.476 1.00 0.00 H new ATOM 0 HH21 ARG A 563 -15.466 -2.779 3.627 1.00 0.00 H new ATOM 0 HH22 ARG A 563 -16.615 -3.134 2.333 1.00 0.00 H new ATOM 374 N CYS A 564 -8.584 -3.550 4.436 1.00 0.00 N ATOM 375 CA CYS A 564 -7.772 -4.557 5.103 1.00 0.00 C ATOM 376 C CYS A 564 -8.670 -5.548 5.835 1.00 0.00 C ATOM 377 O CYS A 564 -9.840 -5.264 6.084 1.00 0.00 O ATOM 378 CB CYS A 564 -6.803 -3.898 6.086 1.00 0.00 C ATOM 379 SG CYS A 564 -7.445 -2.398 6.863 1.00 0.00 S ATOM 0 H CYS A 564 -9.223 -3.050 5.055 1.00 0.00 H new ATOM 0 HA CYS A 564 -7.191 -5.092 4.351 1.00 0.00 H new ATOM 0 HB2 CYS A 564 -6.548 -4.617 6.865 1.00 0.00 H new ATOM 0 HB3 CYS A 564 -5.879 -3.655 5.561 1.00 0.00 H new ATOM 0 HG CYS A 564 -7.159 -1.369 6.122 1.00 0.00 H new ATOM 385 N VAL A 565 -8.128 -6.714 6.166 1.00 0.00 N ATOM 386 CA VAL A 565 -8.910 -7.733 6.854 1.00 0.00 C ATOM 387 C VAL A 565 -8.087 -8.489 7.888 1.00 0.00 C ATOM 388 O VAL A 565 -6.894 -8.728 7.701 1.00 0.00 O ATOM 389 CB VAL A 565 -9.506 -8.738 5.856 1.00 0.00 C ATOM 390 CG1 VAL A 565 -10.438 -8.029 4.890 1.00 0.00 C ATOM 391 CG2 VAL A 565 -8.400 -9.466 5.106 1.00 0.00 C ATOM 0 H VAL A 565 -7.161 -6.975 5.972 1.00 0.00 H new ATOM 0 HA VAL A 565 -9.713 -7.207 7.370 1.00 0.00 H new ATOM 0 HB VAL A 565 -10.083 -9.479 6.409 1.00 0.00 H new ATOM 0 HG11 VAL A 565 -10.854 -8.752 4.188 1.00 0.00 H new ATOM 0 HG12 VAL A 565 -11.248 -7.557 5.446 1.00 0.00 H new ATOM 0 HG13 VAL A 565 -9.883 -7.268 4.341 1.00 0.00 H new ATOM 0 HG21 VAL A 565 -8.841 -10.173 4.404 1.00 0.00 H new ATOM 0 HG22 VAL A 565 -7.794 -8.743 4.560 1.00 0.00 H new ATOM 0 HG23 VAL A 565 -7.772 -10.004 5.816 1.00 0.00 H new ATOM 401 N HIS A 566 -8.745 -8.869 8.978 1.00 0.00 N ATOM 402 CA HIS A 566 -8.095 -9.610 10.054 1.00 0.00 C ATOM 403 C HIS A 566 -6.794 -8.937 10.474 1.00 0.00 C ATOM 404 O HIS A 566 -5.726 -9.547 10.434 1.00 0.00 O ATOM 405 CB HIS A 566 -7.820 -11.050 9.616 1.00 0.00 C ATOM 406 CG HIS A 566 -8.164 -12.069 10.659 1.00 0.00 C ATOM 407 ND1 HIS A 566 -7.236 -12.596 11.532 1.00 0.00 N ATOM 408 CD2 HIS A 566 -9.345 -12.657 10.967 1.00 0.00 C ATOM 409 CE1 HIS A 566 -7.829 -13.467 12.330 1.00 0.00 C ATOM 410 NE2 HIS A 566 -9.109 -13.520 12.009 1.00 0.00 N ATOM 0 H HIS A 566 -9.733 -8.675 9.140 1.00 0.00 H new ATOM 0 HA HIS A 566 -8.769 -9.620 10.911 1.00 0.00 H new ATOM 0 HB2 HIS A 566 -8.390 -11.261 8.711 1.00 0.00 H new ATOM 0 HB3 HIS A 566 -6.765 -11.148 9.358 1.00 0.00 H new ATOM 0 HD2 HIS A 566 -10.294 -12.480 10.484 1.00 0.00 H new ATOM 0 HE1 HIS A 566 -7.349 -14.038 13.111 1.00 0.00 H new ATOM 0 HE2 HIS A 566 -9.809 -14.107 12.462 1.00 0.00 H new ATOM 419 N LEU A 567 -6.891 -7.675 10.880 1.00 0.00 N ATOM 420 CA LEU A 567 -5.722 -6.919 11.310 1.00 0.00 C ATOM 421 C LEU A 567 -5.400 -7.197 12.774 1.00 0.00 C ATOM 422 O LEU A 567 -6.239 -7.700 13.520 1.00 0.00 O ATOM 423 CB LEU A 567 -5.957 -5.422 11.107 1.00 0.00 C ATOM 424 CG LEU A 567 -5.946 -4.958 9.652 1.00 0.00 C ATOM 425 CD1 LEU A 567 -5.845 -3.444 9.583 1.00 0.00 C ATOM 426 CD2 LEU A 567 -4.799 -5.608 8.895 1.00 0.00 C ATOM 0 H LEU A 567 -7.768 -7.155 10.920 1.00 0.00 H new ATOM 0 HA LEU A 567 -4.873 -7.236 10.703 1.00 0.00 H new ATOM 0 HB2 LEU A 567 -6.917 -5.157 11.550 1.00 0.00 H new ATOM 0 HB3 LEU A 567 -5.191 -4.872 11.654 1.00 0.00 H new ATOM 0 HG LEU A 567 -6.881 -5.263 9.182 1.00 0.00 H new ATOM 0 HD11 LEU A 567 -5.838 -3.127 8.540 1.00 0.00 H new ATOM 0 HD12 LEU A 567 -6.700 -2.999 10.092 1.00 0.00 H new ATOM 0 HD13 LEU A 567 -4.924 -3.118 10.067 1.00 0.00 H new ATOM 0 HD21 LEU A 567 -4.806 -5.266 7.860 1.00 0.00 H new ATOM 0 HD22 LEU A 567 -3.853 -5.333 9.361 1.00 0.00 H new ATOM 0 HD23 LEU A 567 -4.914 -6.692 8.920 1.00 0.00 H new ATOM 438 N ALA A 568 -4.179 -6.863 13.179 1.00 0.00 N ATOM 439 CA ALA A 568 -3.746 -7.075 14.555 1.00 0.00 C ATOM 440 C ALA A 568 -4.382 -6.052 15.492 1.00 0.00 C ATOM 441 O ALA A 568 -4.600 -4.901 15.116 1.00 0.00 O ATOM 442 CB ALA A 568 -2.230 -7.007 14.646 1.00 0.00 C ATOM 0 H ALA A 568 -3.472 -6.445 12.574 1.00 0.00 H new ATOM 0 HA ALA A 568 -4.073 -8.067 14.866 1.00 0.00 H new ATOM 0 HB1 ALA A 568 -1.920 -7.167 15.679 1.00 0.00 H new ATOM 0 HB2 ALA A 568 -1.792 -7.778 14.012 1.00 0.00 H new ATOM 0 HB3 ALA A 568 -1.889 -6.027 14.312 1.00 0.00 H new ATOM 448 N ALA A 569 -4.676 -6.484 16.714 1.00 0.00 N ATOM 449 CA ALA A 569 -5.287 -5.611 17.709 1.00 0.00 C ATOM 450 C ALA A 569 -4.284 -5.227 18.791 1.00 0.00 C ATOM 451 O ALA A 569 -3.843 -6.071 19.570 1.00 0.00 O ATOM 452 CB ALA A 569 -6.496 -6.292 18.331 1.00 0.00 C ATOM 0 H ALA A 569 -4.501 -7.435 17.039 1.00 0.00 H new ATOM 0 HA ALA A 569 -5.611 -4.699 17.208 1.00 0.00 H new ATOM 0 HB1 ALA A 569 -6.944 -5.631 19.073 1.00 0.00 H new ATOM 0 HB2 ALA A 569 -7.227 -6.515 17.554 1.00 0.00 H new ATOM 0 HB3 ALA A 569 -6.184 -7.219 18.813 1.00 0.00 H new ATOM 458 N MET A 570 -3.930 -3.948 18.835 1.00 0.00 N ATOM 459 CA MET A 570 -2.979 -3.453 19.824 1.00 0.00 C ATOM 460 C MET A 570 -3.677 -3.161 21.147 1.00 0.00 C ATOM 461 O MET A 570 -3.055 -3.189 22.209 1.00 0.00 O ATOM 462 CB MET A 570 -2.291 -2.187 19.314 1.00 0.00 C ATOM 463 CG MET A 570 -1.593 -2.369 17.978 1.00 0.00 C ATOM 464 SD MET A 570 -0.427 -3.744 17.984 1.00 0.00 S ATOM 465 CE MET A 570 -0.840 -4.536 16.433 1.00 0.00 C ATOM 0 H MET A 570 -4.286 -3.235 18.198 1.00 0.00 H new ATOM 0 HA MET A 570 -2.229 -4.227 19.987 1.00 0.00 H new ATOM 0 HB2 MET A 570 -3.032 -1.393 19.222 1.00 0.00 H new ATOM 0 HB3 MET A 570 -1.561 -1.857 20.054 1.00 0.00 H new ATOM 0 HG2 MET A 570 -2.340 -2.535 17.202 1.00 0.00 H new ATOM 0 HG3 MET A 570 -1.065 -1.451 17.721 1.00 0.00 H new ATOM 0 HE1 MET A 570 -0.422 -5.542 16.416 1.00 0.00 H new ATOM 0 HE2 MET A 570 -1.924 -4.591 16.330 1.00 0.00 H new ATOM 0 HE3 MET A 570 -0.426 -3.957 15.607 1.00 0.00 H new ATOM 475 N ASP A 571 -4.973 -2.875 21.074 1.00 0.00 N ATOM 476 CA ASP A 571 -5.756 -2.573 22.267 1.00 0.00 C ATOM 477 C ASP A 571 -6.246 -3.850 22.939 1.00 0.00 C ATOM 478 O ASP A 571 -6.400 -4.885 22.292 1.00 0.00 O ATOM 479 CB ASP A 571 -6.947 -1.682 21.906 1.00 0.00 C ATOM 480 CG ASP A 571 -6.525 -0.276 21.529 1.00 0.00 C ATOM 481 OD1 ASP A 571 -5.896 0.400 22.370 1.00 0.00 O ATOM 482 OD2 ASP A 571 -6.823 0.149 20.393 1.00 0.00 O ATOM 0 H ASP A 571 -5.503 -2.846 20.203 1.00 0.00 H new ATOM 0 HA ASP A 571 -5.112 -2.043 22.969 1.00 0.00 H new ATOM 0 HB2 ASP A 571 -7.493 -2.129 21.075 1.00 0.00 H new ATOM 0 HB3 ASP A 571 -7.633 -1.638 22.752 1.00 0.00 H new ATOM 487 N ALA A 572 -6.494 -3.766 24.243 1.00 0.00 N ATOM 488 CA ALA A 572 -6.970 -4.913 25.006 1.00 0.00 C ATOM 489 C ALA A 572 -8.392 -5.288 24.603 1.00 0.00 C ATOM 490 O ALA A 572 -8.923 -6.307 25.045 1.00 0.00 O ATOM 491 CB ALA A 572 -6.902 -4.618 26.496 1.00 0.00 C ATOM 0 H ALA A 572 -6.373 -2.915 24.792 1.00 0.00 H new ATOM 0 HA ALA A 572 -6.322 -5.761 24.784 1.00 0.00 H new ATOM 0 HB1 ALA A 572 -7.260 -5.483 27.055 1.00 0.00 H new ATOM 0 HB2 ALA A 572 -5.871 -4.405 26.778 1.00 0.00 H new ATOM 0 HB3 ALA A 572 -7.526 -3.754 26.725 1.00 0.00 H new ATOM 497 N ASN A 573 -9.002 -4.460 23.761 1.00 0.00 N ATOM 498 CA ASN A 573 -10.363 -4.708 23.299 1.00 0.00 C ATOM 499 C ASN A 573 -10.373 -5.726 22.164 1.00 0.00 C ATOM 500 O ASN A 573 -11.434 -6.158 21.714 1.00 0.00 O ATOM 501 CB ASN A 573 -11.010 -3.403 22.834 1.00 0.00 C ATOM 502 CG ASN A 573 -10.912 -2.306 23.876 1.00 0.00 C ATOM 503 OD1 ASN A 573 -10.822 -2.578 25.074 1.00 0.00 O ATOM 504 ND2 ASN A 573 -10.933 -1.058 23.425 1.00 0.00 N ATOM 0 H ASN A 573 -8.576 -3.613 23.385 1.00 0.00 H new ATOM 0 HA ASN A 573 -10.936 -5.113 24.133 1.00 0.00 H new ATOM 0 HB2 ASN A 573 -10.530 -3.070 21.914 1.00 0.00 H new ATOM 0 HB3 ASN A 573 -12.059 -3.584 22.599 1.00 0.00 H new ATOM 0 HD21 ASN A 573 -10.873 -0.278 24.080 1.00 0.00 H new ATOM 0 HD22 ASN A 573 -11.009 -0.879 22.424 1.00 0.00 H new ATOM 511 N GLY A 574 -9.185 -6.107 21.704 1.00 0.00 N ATOM 512 CA GLY A 574 -9.081 -7.069 20.625 1.00 0.00 C ATOM 513 C GLY A 574 -9.134 -6.415 19.259 1.00 0.00 C ATOM 514 O GLY A 574 -9.240 -7.099 18.241 1.00 0.00 O ATOM 0 H GLY A 574 -8.292 -5.765 22.061 1.00 0.00 H new ATOM 0 HA2 GLY A 574 -8.147 -7.622 20.724 1.00 0.00 H new ATOM 0 HA3 GLY A 574 -9.891 -7.794 20.709 1.00 0.00 H new ATOM 518 N TYR A 575 -9.066 -5.088 19.236 1.00 0.00 N ATOM 519 CA TYR A 575 -9.113 -4.344 17.984 1.00 0.00 C ATOM 520 C TYR A 575 -7.891 -3.450 17.810 1.00 0.00 C ATOM 521 O TYR A 575 -6.915 -3.564 18.552 1.00 0.00 O ATOM 522 CB TYR A 575 -10.383 -3.506 17.922 1.00 0.00 C ATOM 523 CG TYR A 575 -11.507 -4.215 17.220 1.00 0.00 C ATOM 524 CD1 TYR A 575 -11.832 -5.517 17.556 1.00 0.00 C ATOM 525 CD2 TYR A 575 -12.239 -3.586 16.228 1.00 0.00 C ATOM 526 CE1 TYR A 575 -12.864 -6.182 16.921 1.00 0.00 C ATOM 527 CE2 TYR A 575 -13.274 -4.239 15.583 1.00 0.00 C ATOM 528 CZ TYR A 575 -13.583 -5.536 15.935 1.00 0.00 C ATOM 529 OH TYR A 575 -14.613 -6.192 15.299 1.00 0.00 O ATOM 0 H TYR A 575 -8.978 -4.507 20.070 1.00 0.00 H new ATOM 0 HA TYR A 575 -9.113 -5.068 17.169 1.00 0.00 H new ATOM 0 HB2 TYR A 575 -10.695 -3.250 18.934 1.00 0.00 H new ATOM 0 HB3 TYR A 575 -10.171 -2.569 17.407 1.00 0.00 H new ATOM 0 HD1 TYR A 575 -11.270 -6.022 18.327 1.00 0.00 H new ATOM 0 HD2 TYR A 575 -11.998 -2.570 15.953 1.00 0.00 H new ATOM 0 HE1 TYR A 575 -13.106 -7.199 17.194 1.00 0.00 H new ATOM 0 HE2 TYR A 575 -13.836 -3.737 14.809 1.00 0.00 H new ATOM 0 HH TYR A 575 -15.017 -5.598 14.633 1.00 0.00 H new ATOM 539 N SER A 576 -7.949 -2.560 16.820 1.00 0.00 N ATOM 540 CA SER A 576 -6.839 -1.650 16.549 1.00 0.00 C ATOM 541 C SER A 576 -7.295 -0.437 15.737 1.00 0.00 C ATOM 542 O SER A 576 -8.460 -0.330 15.355 1.00 0.00 O ATOM 543 CB SER A 576 -5.730 -2.385 15.793 1.00 0.00 C ATOM 544 OG SER A 576 -4.712 -2.820 16.677 1.00 0.00 O ATOM 0 H SER A 576 -8.748 -2.451 16.196 1.00 0.00 H new ATOM 0 HA SER A 576 -6.459 -1.296 17.507 1.00 0.00 H new ATOM 0 HB2 SER A 576 -6.150 -3.242 15.268 1.00 0.00 H new ATOM 0 HB3 SER A 576 -5.303 -1.726 15.037 1.00 0.00 H new ATOM 0 HG SER A 576 -4.243 -3.586 16.285 1.00 0.00 H new ATOM 550 N ASP A 577 -6.353 0.462 15.468 1.00 0.00 N ATOM 551 CA ASP A 577 -6.625 1.668 14.687 1.00 0.00 C ATOM 552 C ASP A 577 -5.722 1.681 13.462 1.00 0.00 C ATOM 553 O ASP A 577 -4.912 2.587 13.274 1.00 0.00 O ATOM 554 CB ASP A 577 -6.384 2.921 15.534 1.00 0.00 C ATOM 555 CG ASP A 577 -7.131 2.881 16.852 1.00 0.00 C ATOM 556 OD1 ASP A 577 -8.037 2.032 16.996 1.00 0.00 O ATOM 557 OD2 ASP A 577 -6.811 3.697 17.742 1.00 0.00 O ATOM 0 H ASP A 577 -5.386 0.378 15.782 1.00 0.00 H new ATOM 0 HA ASP A 577 -7.669 1.666 14.373 1.00 0.00 H new ATOM 0 HB2 ASP A 577 -5.316 3.025 15.728 1.00 0.00 H new ATOM 0 HB3 ASP A 577 -6.693 3.802 14.971 1.00 0.00 H new ATOM 562 N PRO A 578 -5.832 0.635 12.638 1.00 0.00 N ATOM 563 CA PRO A 578 -5.004 0.460 11.441 1.00 0.00 C ATOM 564 C PRO A 578 -5.225 1.483 10.336 1.00 0.00 C ATOM 565 O PRO A 578 -6.346 1.910 10.056 1.00 0.00 O ATOM 566 CB PRO A 578 -5.387 -0.930 10.935 1.00 0.00 C ATOM 567 CG PRO A 578 -6.729 -1.202 11.520 1.00 0.00 C ATOM 568 CD PRO A 578 -6.755 -0.494 12.842 1.00 0.00 C ATOM 0 HA PRO A 578 -3.954 0.589 11.704 1.00 0.00 H new ATOM 0 HB2 PRO A 578 -5.419 -0.958 9.846 1.00 0.00 H new ATOM 0 HB3 PRO A 578 -4.660 -1.678 11.251 1.00 0.00 H new ATOM 0 HG2 PRO A 578 -7.521 -0.837 10.866 1.00 0.00 H new ATOM 0 HG3 PRO A 578 -6.889 -2.273 11.648 1.00 0.00 H new ATOM 0 HD2 PRO A 578 -7.758 -0.153 13.096 1.00 0.00 H new ATOM 0 HD3 PRO A 578 -6.424 -1.143 13.653 1.00 0.00 H new ATOM 576 N PHE A 579 -4.118 1.816 9.686 1.00 0.00 N ATOM 577 CA PHE A 579 -4.084 2.730 8.558 1.00 0.00 C ATOM 578 C PHE A 579 -2.991 2.250 7.614 1.00 0.00 C ATOM 579 O PHE A 579 -2.141 1.455 8.016 1.00 0.00 O ATOM 580 CB PHE A 579 -3.813 4.167 9.009 1.00 0.00 C ATOM 581 CG PHE A 579 -2.478 4.356 9.672 1.00 0.00 C ATOM 582 CD1 PHE A 579 -2.278 3.956 10.984 1.00 0.00 C ATOM 583 CD2 PHE A 579 -1.427 4.941 8.986 1.00 0.00 C ATOM 584 CE1 PHE A 579 -1.053 4.135 11.598 1.00 0.00 C ATOM 585 CE2 PHE A 579 -0.199 5.123 9.594 1.00 0.00 C ATOM 586 CZ PHE A 579 -0.011 4.719 10.902 1.00 0.00 C ATOM 0 H PHE A 579 -3.200 1.449 9.936 1.00 0.00 H new ATOM 0 HA PHE A 579 -5.052 2.736 8.057 1.00 0.00 H new ATOM 0 HB2 PHE A 579 -3.874 4.827 8.143 1.00 0.00 H new ATOM 0 HB3 PHE A 579 -4.598 4.474 9.700 1.00 0.00 H new ATOM 0 HD1 PHE A 579 -3.089 3.499 11.532 1.00 0.00 H new ATOM 0 HD2 PHE A 579 -1.568 5.259 7.964 1.00 0.00 H new ATOM 0 HE1 PHE A 579 -0.910 3.819 12.621 1.00 0.00 H new ATOM 0 HE2 PHE A 579 0.612 5.580 9.047 1.00 0.00 H new ATOM 0 HZ PHE A 579 0.948 4.859 11.379 1.00 0.00 H new ATOM 596 N VAL A 580 -3.005 2.690 6.366 1.00 0.00 N ATOM 597 CA VAL A 580 -1.991 2.230 5.427 1.00 0.00 C ATOM 598 C VAL A 580 -1.097 3.357 4.928 1.00 0.00 C ATOM 599 O VAL A 580 -1.573 4.395 4.466 1.00 0.00 O ATOM 600 CB VAL A 580 -2.614 1.512 4.216 1.00 0.00 C ATOM 601 CG1 VAL A 580 -1.525 0.903 3.349 1.00 0.00 C ATOM 602 CG2 VAL A 580 -3.596 0.443 4.672 1.00 0.00 C ATOM 0 H VAL A 580 -3.686 3.347 5.986 1.00 0.00 H new ATOM 0 HA VAL A 580 -1.377 1.525 5.988 1.00 0.00 H new ATOM 0 HB VAL A 580 -3.161 2.245 3.623 1.00 0.00 H new ATOM 0 HG11 VAL A 580 -1.979 0.398 2.496 1.00 0.00 H new ATOM 0 HG12 VAL A 580 -0.860 1.690 2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 580 -0.954 0.183 3.935 1.00 0.00 H new ATOM 0 HG21 VAL A 580 -4.025 -0.052 3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 580 -3.075 -0.291 5.287 1.00 0.00 H new ATOM 0 HG23 VAL A 580 -4.392 0.905 5.255 1.00 0.00 H new ATOM 612 N LYS A 581 0.208 3.124 5.008 1.00 0.00 N ATOM 613 CA LYS A 581 1.197 4.087 4.550 1.00 0.00 C ATOM 614 C LYS A 581 1.924 3.527 3.335 1.00 0.00 C ATOM 615 O LYS A 581 2.368 2.380 3.341 1.00 0.00 O ATOM 616 CB LYS A 581 2.197 4.403 5.665 1.00 0.00 C ATOM 617 CG LYS A 581 1.539 4.736 6.994 1.00 0.00 C ATOM 618 CD LYS A 581 2.272 4.086 8.155 1.00 0.00 C ATOM 619 CE LYS A 581 3.208 5.068 8.841 1.00 0.00 C ATOM 620 NZ LYS A 581 4.604 4.949 8.337 1.00 0.00 N ATOM 0 H LYS A 581 0.607 2.266 5.390 1.00 0.00 H new ATOM 0 HA LYS A 581 0.691 5.012 4.274 1.00 0.00 H new ATOM 0 HB2 LYS A 581 2.859 3.548 5.801 1.00 0.00 H new ATOM 0 HB3 LYS A 581 2.820 5.243 5.356 1.00 0.00 H new ATOM 0 HG2 LYS A 581 1.522 5.817 7.132 1.00 0.00 H new ATOM 0 HG3 LYS A 581 0.502 4.400 6.983 1.00 0.00 H new ATOM 0 HD2 LYS A 581 1.549 3.706 8.877 1.00 0.00 H new ATOM 0 HD3 LYS A 581 2.842 3.230 7.794 1.00 0.00 H new ATOM 0 HE2 LYS A 581 2.849 6.085 8.680 1.00 0.00 H new ATOM 0 HE3 LYS A 581 3.194 4.892 9.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 581 5.211 5.635 8.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 581 4.956 3.986 8.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 581 4.622 5.142 7.315 1.00 0.00 H new ATOM 634 N LEU A 582 2.023 4.330 2.286 1.00 0.00 N ATOM 635 CA LEU A 582 2.673 3.893 1.058 1.00 0.00 C ATOM 636 C LEU A 582 3.881 4.756 0.725 1.00 0.00 C ATOM 637 O LEU A 582 3.840 5.978 0.863 1.00 0.00 O ATOM 638 CB LEU A 582 1.674 3.934 -0.092 1.00 0.00 C ATOM 639 CG LEU A 582 0.212 3.844 0.339 1.00 0.00 C ATOM 640 CD1 LEU A 582 -0.488 5.179 0.135 1.00 0.00 C ATOM 641 CD2 LEU A 582 -0.493 2.741 -0.425 1.00 0.00 C ATOM 0 H LEU A 582 1.663 5.284 2.259 1.00 0.00 H new ATOM 0 HA LEU A 582 3.025 2.872 1.207 1.00 0.00 H new ATOM 0 HB2 LEU A 582 1.819 4.859 -0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 582 1.890 3.112 -0.775 1.00 0.00 H new ATOM 0 HG LEU A 582 0.175 3.603 1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 582 -1.529 5.096 0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 582 0.009 5.945 0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 582 -0.447 5.454 -0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 582 -1.535 2.687 -0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 582 -0.449 2.953 -1.493 1.00 0.00 H new ATOM 0 HD23 LEU A 582 -0.003 1.788 -0.224 1.00 0.00 H new ATOM 653 N TRP A 583 4.953 4.111 0.280 1.00 0.00 N ATOM 654 CA TRP A 583 6.170 4.824 -0.080 1.00 0.00 C ATOM 655 C TRP A 583 6.895 4.130 -1.232 1.00 0.00 C ATOM 656 O TRP A 583 7.329 2.985 -1.109 1.00 0.00 O ATOM 657 CB TRP A 583 7.097 4.939 1.129 1.00 0.00 C ATOM 658 CG TRP A 583 8.504 5.289 0.763 1.00 0.00 C ATOM 659 CD1 TRP A 583 8.931 5.866 -0.397 1.00 0.00 C ATOM 660 CD2 TRP A 583 9.669 5.084 1.564 1.00 0.00 C ATOM 661 NE1 TRP A 583 10.293 6.019 -0.374 1.00 0.00 N ATOM 662 CE2 TRP A 583 10.771 5.553 0.824 1.00 0.00 C ATOM 663 CE3 TRP A 583 9.885 4.549 2.833 1.00 0.00 C ATOM 664 CZ2 TRP A 583 12.071 5.501 1.317 1.00 0.00 C ATOM 665 CZ3 TRP A 583 11.175 4.499 3.324 1.00 0.00 C ATOM 666 CH2 TRP A 583 12.255 4.973 2.566 1.00 0.00 C ATOM 0 H TRP A 583 5.003 3.099 0.161 1.00 0.00 H new ATOM 0 HA TRP A 583 5.888 5.824 -0.408 1.00 0.00 H new ATOM 0 HB2 TRP A 583 6.706 5.697 1.807 1.00 0.00 H new ATOM 0 HB3 TRP A 583 7.094 3.994 1.672 1.00 0.00 H new ATOM 0 HD1 TRP A 583 8.289 6.160 -1.215 1.00 0.00 H new ATOM 0 HE1 TRP A 583 10.858 6.415 -1.125 1.00 0.00 H new ATOM 0 HE3 TRP A 583 9.058 4.180 3.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 583 12.905 5.864 0.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 583 11.354 4.089 4.307 1.00 0.00 H new ATOM 0 HH2 TRP A 583 13.253 4.920 2.976 1.00 0.00 H new ATOM 677 N LEU A 584 7.027 4.840 -2.350 1.00 0.00 N ATOM 678 CA LEU A 584 7.704 4.304 -3.525 1.00 0.00 C ATOM 679 C LEU A 584 9.182 4.684 -3.522 1.00 0.00 C ATOM 680 O LEU A 584 9.538 5.844 -3.729 1.00 0.00 O ATOM 681 CB LEU A 584 7.028 4.815 -4.801 1.00 0.00 C ATOM 682 CG LEU A 584 7.501 4.165 -6.103 1.00 0.00 C ATOM 683 CD1 LEU A 584 6.882 2.785 -6.262 1.00 0.00 C ATOM 684 CD2 LEU A 584 7.156 5.046 -7.298 1.00 0.00 C ATOM 0 H LEU A 584 6.673 5.790 -2.466 1.00 0.00 H new ATOM 0 HA LEU A 584 7.632 3.217 -3.496 1.00 0.00 H new ATOM 0 HB2 LEU A 584 5.953 4.661 -4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 584 7.191 5.890 -4.872 1.00 0.00 H new ATOM 0 HG LEU A 584 8.585 4.055 -6.060 1.00 0.00 H new ATOM 0 HD11 LEU A 584 7.228 2.336 -7.193 1.00 0.00 H new ATOM 0 HD12 LEU A 584 7.178 2.155 -5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 584 5.796 2.874 -6.284 1.00 0.00 H new ATOM 0 HD21 LEU A 584 7.500 4.567 -8.215 1.00 0.00 H new ATOM 0 HD22 LEU A 584 6.076 5.188 -7.346 1.00 0.00 H new ATOM 0 HD23 LEU A 584 7.644 6.014 -7.189 1.00 0.00 H new ATOM 696 N LYS A 585 10.038 3.693 -3.285 1.00 0.00 N ATOM 697 CA LYS A 585 11.480 3.915 -3.254 1.00 0.00 C ATOM 698 C LYS A 585 12.059 3.905 -4.664 1.00 0.00 C ATOM 699 O LYS A 585 11.463 3.346 -5.586 1.00 0.00 O ATOM 700 CB LYS A 585 12.162 2.843 -2.402 1.00 0.00 C ATOM 701 CG LYS A 585 11.770 2.890 -0.935 1.00 0.00 C ATOM 702 CD LYS A 585 12.430 1.771 -0.145 1.00 0.00 C ATOM 703 CE LYS A 585 11.757 0.433 -0.407 1.00 0.00 C ATOM 704 NZ LYS A 585 11.423 -0.279 0.858 1.00 0.00 N ATOM 0 H LYS A 585 9.757 2.728 -3.112 1.00 0.00 H new ATOM 0 HA LYS A 585 11.665 4.893 -2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 585 11.915 1.860 -2.804 1.00 0.00 H new ATOM 0 HB3 LYS A 585 13.243 2.959 -2.484 1.00 0.00 H new ATOM 0 HG2 LYS A 585 12.056 3.853 -0.512 1.00 0.00 H new ATOM 0 HG3 LYS A 585 10.687 2.811 -0.844 1.00 0.00 H new ATOM 0 HD2 LYS A 585 13.485 1.708 -0.413 1.00 0.00 H new ATOM 0 HD3 LYS A 585 12.385 2.000 0.920 1.00 0.00 H new ATOM 0 HE2 LYS A 585 10.847 0.592 -0.985 1.00 0.00 H new ATOM 0 HE3 LYS A 585 12.414 -0.191 -1.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 585 10.966 -1.186 0.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 585 12.294 -0.454 1.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 585 10.775 0.305 1.425 1.00 0.00 H new ATOM 812 N ALA A 592 7.163 10.672 -1.545 1.00 0.00 N ATOM 813 CA ALA A 592 6.851 9.334 -2.024 1.00 0.00 C ATOM 814 C ALA A 592 6.069 8.548 -0.978 1.00 0.00 C ATOM 815 O ALA A 592 5.339 7.614 -1.308 1.00 0.00 O ATOM 816 CB ALA A 592 8.129 8.595 -2.398 1.00 0.00 C ATOM 0 HA ALA A 592 6.227 9.428 -2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 592 7.880 7.595 -2.755 1.00 0.00 H new ATOM 0 HB2 ALA A 592 8.649 9.142 -3.185 1.00 0.00 H new ATOM 0 HB3 ALA A 592 8.774 8.518 -1.523 1.00 0.00 H new ATOM 822 N LYS A 593 6.224 8.937 0.283 1.00 0.00 N ATOM 823 CA LYS A 593 5.531 8.270 1.380 1.00 0.00 C ATOM 824 C LYS A 593 4.099 8.783 1.508 1.00 0.00 C ATOM 825 O LYS A 593 3.782 9.881 1.055 1.00 0.00 O ATOM 826 CB LYS A 593 6.284 8.487 2.693 1.00 0.00 C ATOM 827 CG LYS A 593 7.607 7.740 2.766 1.00 0.00 C ATOM 828 CD LYS A 593 8.601 8.457 3.665 1.00 0.00 C ATOM 829 CE LYS A 593 9.834 7.605 3.925 1.00 0.00 C ATOM 830 NZ LYS A 593 10.498 7.966 5.208 1.00 0.00 N ATOM 0 H LYS A 593 6.823 9.711 0.571 1.00 0.00 H new ATOM 0 HA LYS A 593 5.497 7.202 1.162 1.00 0.00 H new ATOM 0 HB2 LYS A 593 6.470 9.553 2.824 1.00 0.00 H new ATOM 0 HB3 LYS A 593 5.651 8.170 3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 593 7.436 6.731 3.142 1.00 0.00 H new ATOM 0 HG3 LYS A 593 8.026 7.641 1.765 1.00 0.00 H new ATOM 0 HD2 LYS A 593 8.899 9.398 3.202 1.00 0.00 H new ATOM 0 HD3 LYS A 593 8.123 8.705 4.612 1.00 0.00 H new ATOM 0 HE2 LYS A 593 9.550 6.553 3.947 1.00 0.00 H new ATOM 0 HE3 LYS A 593 10.540 7.728 3.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 11.334 7.363 5.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 10.792 8.963 5.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 9.833 7.824 5.995 1.00 0.00 H new ATOM 844 N HIS A 594 3.236 7.980 2.127 1.00 0.00 N ATOM 845 CA HIS A 594 1.838 8.364 2.309 1.00 0.00 C ATOM 846 C HIS A 594 1.200 7.613 3.474 1.00 0.00 C ATOM 847 O HIS A 594 1.822 6.749 4.090 1.00 0.00 O ATOM 848 CB HIS A 594 1.033 8.095 1.036 1.00 0.00 C ATOM 849 CG HIS A 594 1.313 9.062 -0.072 1.00 0.00 C ATOM 850 ND1 HIS A 594 1.588 10.397 0.143 1.00 0.00 N ATOM 851 CD2 HIS A 594 1.360 8.882 -1.414 1.00 0.00 C ATOM 852 CE1 HIS A 594 1.791 10.996 -1.018 1.00 0.00 C ATOM 853 NE2 HIS A 594 1.659 10.097 -1.977 1.00 0.00 N ATOM 0 H HIS A 594 3.478 7.066 2.509 1.00 0.00 H new ATOM 0 HA HIS A 594 1.824 9.431 2.530 1.00 0.00 H new ATOM 0 HB2 HIS A 594 1.249 7.085 0.687 1.00 0.00 H new ATOM 0 HB3 HIS A 594 -0.030 8.129 1.275 1.00 0.00 H new ATOM 0 HD2 HIS A 594 1.193 7.955 -1.942 1.00 0.00 H new ATOM 0 HE1 HIS A 594 2.025 12.041 -1.158 1.00 0.00 H new ATOM 0 HE2 HIS A 594 1.763 10.277 -2.976 1.00 0.00 H new ATOM 862 N LYS A 595 -0.054 7.952 3.757 1.00 0.00 N ATOM 863 CA LYS A 595 -0.804 7.318 4.835 1.00 0.00 C ATOM 864 C LYS A 595 -2.304 7.530 4.627 1.00 0.00 C ATOM 865 O LYS A 595 -2.763 8.663 4.481 1.00 0.00 O ATOM 866 CB LYS A 595 -0.336 7.862 6.198 1.00 0.00 C ATOM 867 CG LYS A 595 -1.371 8.681 6.964 1.00 0.00 C ATOM 868 CD LYS A 595 -1.382 10.133 6.512 1.00 0.00 C ATOM 869 CE LYS A 595 -1.901 11.051 7.606 1.00 0.00 C ATOM 870 NZ LYS A 595 -3.381 11.202 7.550 1.00 0.00 N ATOM 0 H LYS A 595 -0.575 8.668 3.250 1.00 0.00 H new ATOM 0 HA LYS A 595 -0.615 6.245 4.824 1.00 0.00 H new ATOM 0 HB2 LYS A 595 -0.029 7.021 6.820 1.00 0.00 H new ATOM 0 HB3 LYS A 595 0.548 8.480 6.040 1.00 0.00 H new ATOM 0 HG2 LYS A 595 -2.360 8.246 6.818 1.00 0.00 H new ATOM 0 HG3 LYS A 595 -1.156 8.633 8.032 1.00 0.00 H new ATOM 0 HD2 LYS A 595 -0.374 10.435 6.230 1.00 0.00 H new ATOM 0 HD3 LYS A 595 -2.006 10.234 5.624 1.00 0.00 H new ATOM 0 HE2 LYS A 595 -1.613 10.654 8.580 1.00 0.00 H new ATOM 0 HE3 LYS A 595 -1.432 12.031 7.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 595 -3.694 11.836 8.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 595 -3.654 11.605 6.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 595 -3.830 10.271 7.667 1.00 0.00 H new ATOM 884 N THR A 596 -3.061 6.438 4.605 1.00 0.00 N ATOM 885 CA THR A 596 -4.505 6.519 4.405 1.00 0.00 C ATOM 886 C THR A 596 -5.218 6.862 5.706 1.00 0.00 C ATOM 887 O THR A 596 -4.673 6.676 6.794 1.00 0.00 O ATOM 888 CB THR A 596 -5.044 5.199 3.855 1.00 0.00 C ATOM 889 OG1 THR A 596 -5.239 4.262 4.899 1.00 0.00 O ATOM 890 CG2 THR A 596 -4.134 4.561 2.830 1.00 0.00 C ATOM 0 H THR A 596 -2.702 5.491 4.722 1.00 0.00 H new ATOM 0 HA THR A 596 -4.697 7.313 3.683 1.00 0.00 H new ATOM 0 HB THR A 596 -5.987 5.453 3.371 1.00 0.00 H new ATOM 0 HG1 THR A 596 -6.111 3.828 4.791 1.00 0.00 H new ATOM 0 HG21 THR A 596 -4.577 3.628 2.481 1.00 0.00 H new ATOM 0 HG22 THR A 596 -4.005 5.239 1.986 1.00 0.00 H new ATOM 0 HG23 THR A 596 -3.164 4.356 3.282 1.00 0.00 H new ATOM 898 N GLN A 597 -6.445 7.357 5.586 1.00 0.00 N ATOM 899 CA GLN A 597 -7.233 7.720 6.754 1.00 0.00 C ATOM 900 C GLN A 597 -7.122 6.642 7.826 1.00 0.00 C ATOM 901 O GLN A 597 -6.951 5.462 7.519 1.00 0.00 O ATOM 902 CB GLN A 597 -8.699 7.927 6.366 1.00 0.00 C ATOM 903 CG GLN A 597 -9.028 9.360 5.984 1.00 0.00 C ATOM 904 CD GLN A 597 -9.765 9.457 4.662 1.00 0.00 C ATOM 905 OE1 GLN A 597 -9.162 9.365 3.593 1.00 0.00 O ATOM 906 NE2 GLN A 597 -11.078 9.646 4.729 1.00 0.00 N ATOM 0 H GLN A 597 -6.913 7.515 4.694 1.00 0.00 H new ATOM 0 HA GLN A 597 -6.842 8.655 7.156 1.00 0.00 H new ATOM 0 HB2 GLN A 597 -8.941 7.272 5.529 1.00 0.00 H new ATOM 0 HB3 GLN A 597 -9.333 7.627 7.200 1.00 0.00 H new ATOM 0 HG2 GLN A 597 -9.636 9.811 6.768 1.00 0.00 H new ATOM 0 HG3 GLN A 597 -8.105 9.937 5.924 1.00 0.00 H new ATOM 0 HE21 GLN A 597 -11.537 9.717 5.637 1.00 0.00 H new ATOM 0 HE22 GLN A 597 -11.627 9.721 3.873 1.00 0.00 H new ATOM 915 N ILE A 598 -7.216 7.055 9.082 1.00 0.00 N ATOM 916 CA ILE A 598 -7.122 6.127 10.201 1.00 0.00 C ATOM 917 C ILE A 598 -8.487 5.541 10.542 1.00 0.00 C ATOM 918 O ILE A 598 -9.453 6.276 10.745 1.00 0.00 O ATOM 919 CB ILE A 598 -6.559 6.815 11.459 1.00 0.00 C ATOM 920 CG1 ILE A 598 -5.503 7.858 11.083 1.00 0.00 C ATOM 921 CG2 ILE A 598 -5.973 5.782 12.408 1.00 0.00 C ATOM 922 CD1 ILE A 598 -4.114 7.281 10.918 1.00 0.00 C ATOM 0 H ILE A 598 -7.358 8.028 9.352 1.00 0.00 H new ATOM 0 HA ILE A 598 -6.445 5.331 9.891 1.00 0.00 H new ATOM 0 HB ILE A 598 -7.377 7.328 11.964 1.00 0.00 H new ATOM 0 HG12 ILE A 598 -5.799 8.343 10.153 1.00 0.00 H new ATOM 0 HG13 ILE A 598 -5.478 8.631 11.852 1.00 0.00 H new ATOM 0 HG21 ILE A 598 -5.579 6.283 13.292 1.00 0.00 H new ATOM 0 HG22 ILE A 598 -6.751 5.079 12.705 1.00 0.00 H new ATOM 0 HG23 ILE A 598 -5.169 5.243 11.907 1.00 0.00 H new ATOM 0 HD11 ILE A 598 -3.419 8.077 10.652 1.00 0.00 H new ATOM 0 HD12 ILE A 598 -3.798 6.821 11.854 1.00 0.00 H new ATOM 0 HD13 ILE A 598 -4.124 6.529 10.129 1.00 0.00 H new ATOM 934 N LYS A 599 -8.559 4.217 10.616 1.00 0.00 N ATOM 935 CA LYS A 599 -9.807 3.547 10.948 1.00 0.00 C ATOM 936 C LYS A 599 -9.756 3.037 12.384 1.00 0.00 C ATOM 937 O LYS A 599 -9.795 1.835 12.632 1.00 0.00 O ATOM 938 CB LYS A 599 -10.069 2.395 9.978 1.00 0.00 C ATOM 939 CG LYS A 599 -11.166 2.695 8.969 1.00 0.00 C ATOM 940 CD LYS A 599 -10.601 2.870 7.568 1.00 0.00 C ATOM 941 CE LYS A 599 -9.783 4.145 7.452 1.00 0.00 C ATOM 942 NZ LYS A 599 -10.167 4.946 6.257 1.00 0.00 N ATOM 0 H LYS A 599 -7.771 3.590 10.451 1.00 0.00 H new ATOM 0 HA LYS A 599 -10.626 4.261 10.858 1.00 0.00 H new ATOM 0 HB2 LYS A 599 -9.148 2.162 9.444 1.00 0.00 H new ATOM 0 HB3 LYS A 599 -10.341 1.506 10.546 1.00 0.00 H new ATOM 0 HG2 LYS A 599 -11.895 1.884 8.970 1.00 0.00 H new ATOM 0 HG3 LYS A 599 -11.696 3.600 9.265 1.00 0.00 H new ATOM 0 HD2 LYS A 599 -9.977 2.012 7.317 1.00 0.00 H new ATOM 0 HD3 LYS A 599 -11.417 2.893 6.846 1.00 0.00 H new ATOM 0 HE2 LYS A 599 -9.919 4.746 8.351 1.00 0.00 H new ATOM 0 HE3 LYS A 599 -8.724 3.893 7.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 599 -9.317 5.172 5.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 599 -10.828 4.398 5.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 599 -10.625 5.828 6.563 1.00 0.00 H new ATOM 956 N LYS A 600 -9.647 3.968 13.323 1.00 0.00 N ATOM 957 CA LYS A 600 -9.568 3.632 14.737 1.00 0.00 C ATOM 958 C LYS A 600 -10.681 2.677 15.164 1.00 0.00 C ATOM 959 O LYS A 600 -11.840 2.842 14.783 1.00 0.00 O ATOM 960 CB LYS A 600 -9.624 4.903 15.584 1.00 0.00 C ATOM 961 CG LYS A 600 -8.422 5.813 15.391 1.00 0.00 C ATOM 962 CD LYS A 600 -8.826 7.159 14.813 1.00 0.00 C ATOM 963 CE LYS A 600 -8.242 8.310 15.618 1.00 0.00 C ATOM 964 NZ LYS A 600 -9.300 9.098 16.309 1.00 0.00 N ATOM 0 H LYS A 600 -9.611 4.968 13.128 1.00 0.00 H new ATOM 0 HA LYS A 600 -8.617 3.125 14.897 1.00 0.00 H new ATOM 0 HB2 LYS A 600 -10.531 5.455 15.337 1.00 0.00 H new ATOM 0 HB3 LYS A 600 -9.695 4.626 16.636 1.00 0.00 H new ATOM 0 HG2 LYS A 600 -7.921 5.963 16.347 1.00 0.00 H new ATOM 0 HG3 LYS A 600 -7.704 5.332 14.727 1.00 0.00 H new ATOM 0 HD2 LYS A 600 -8.488 7.228 13.779 1.00 0.00 H new ATOM 0 HD3 LYS A 600 -9.913 7.238 14.799 1.00 0.00 H new ATOM 0 HE2 LYS A 600 -7.541 7.918 16.355 1.00 0.00 H new ATOM 0 HE3 LYS A 600 -7.675 8.965 14.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 600 -8.861 9.873 16.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 600 -9.955 9.493 15.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 600 -9.824 8.479 16.960 1.00 0.00 H new ATOM 978 N LYS A 601 -10.313 1.693 15.980 1.00 0.00 N ATOM 979 CA LYS A 601 -11.264 0.712 16.499 1.00 0.00 C ATOM 980 C LYS A 601 -11.836 -0.180 15.402 1.00 0.00 C ATOM 981 O LYS A 601 -13.045 -0.182 15.162 1.00 0.00 O ATOM 982 CB LYS A 601 -12.400 1.417 17.239 1.00 0.00 C ATOM 983 CG LYS A 601 -12.148 1.575 18.730 1.00 0.00 C ATOM 984 CD LYS A 601 -10.710 1.976 19.010 1.00 0.00 C ATOM 985 CE LYS A 601 -10.610 2.882 20.226 1.00 0.00 C ATOM 986 NZ LYS A 601 -9.576 2.410 21.188 1.00 0.00 N ATOM 0 H LYS A 601 -9.354 1.553 16.299 1.00 0.00 H new ATOM 0 HA LYS A 601 -10.716 0.071 17.190 1.00 0.00 H new ATOM 0 HB2 LYS A 601 -12.554 2.402 16.798 1.00 0.00 H new ATOM 0 HB3 LYS A 601 -13.322 0.855 17.092 1.00 0.00 H new ATOM 0 HG2 LYS A 601 -12.823 2.328 19.137 1.00 0.00 H new ATOM 0 HG3 LYS A 601 -12.372 0.638 19.240 1.00 0.00 H new ATOM 0 HD2 LYS A 601 -10.107 1.082 19.170 1.00 0.00 H new ATOM 0 HD3 LYS A 601 -10.298 2.487 18.140 1.00 0.00 H new ATOM 0 HE2 LYS A 601 -10.371 3.896 19.905 1.00 0.00 H new ATOM 0 HE3 LYS A 601 -11.578 2.926 20.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 601 -9.540 3.055 22.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 601 -9.817 1.453 21.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 601 -8.648 2.392 20.719 1.00 0.00 H new ATOM 1000 N THR A 602 -10.970 -0.946 14.747 1.00 0.00 N ATOM 1001 CA THR A 602 -11.401 -1.850 13.689 1.00 0.00 C ATOM 1002 C THR A 602 -10.207 -2.553 13.053 1.00 0.00 C ATOM 1003 O THR A 602 -9.127 -1.977 12.927 1.00 0.00 O ATOM 1004 CB THR A 602 -12.163 -1.081 12.620 1.00 0.00 C ATOM 1005 OG1 THR A 602 -12.950 -1.956 11.830 1.00 0.00 O ATOM 1006 CG2 THR A 602 -11.242 -0.328 11.700 1.00 0.00 C ATOM 0 H THR A 602 -9.967 -0.958 14.931 1.00 0.00 H new ATOM 0 HA THR A 602 -12.054 -2.601 14.134 1.00 0.00 H new ATOM 0 HB THR A 602 -12.799 -0.373 13.151 1.00 0.00 H new ATOM 0 HG1 THR A 602 -13.432 -1.439 11.151 1.00 0.00 H new ATOM 0 HG21 THR A 602 -11.830 0.206 10.953 1.00 0.00 H new ATOM 0 HG22 THR A 602 -10.655 0.386 12.278 1.00 0.00 H new ATOM 0 HG23 THR A 602 -10.573 -1.029 11.201 1.00 0.00 H new ATOM 1014 N LEU A 603 -10.414 -3.799 12.647 1.00 0.00 N ATOM 1015 CA LEU A 603 -9.360 -4.582 12.013 1.00 0.00 C ATOM 1016 C LEU A 603 -9.728 -4.916 10.570 1.00 0.00 C ATOM 1017 O LEU A 603 -8.881 -5.338 9.784 1.00 0.00 O ATOM 1018 CB LEU A 603 -9.111 -5.870 12.801 1.00 0.00 C ATOM 1019 CG LEU A 603 -9.023 -5.696 14.319 1.00 0.00 C ATOM 1020 CD1 LEU A 603 -8.489 -6.960 14.972 1.00 0.00 C ATOM 1021 CD2 LEU A 603 -8.147 -4.503 14.668 1.00 0.00 C ATOM 0 H LEU A 603 -11.303 -4.290 12.745 1.00 0.00 H new ATOM 0 HA LEU A 603 -8.447 -3.986 12.008 1.00 0.00 H new ATOM 0 HB2 LEU A 603 -9.912 -6.575 12.578 1.00 0.00 H new ATOM 0 HB3 LEU A 603 -8.183 -6.320 12.448 1.00 0.00 H new ATOM 0 HG LEU A 603 -10.026 -5.510 14.703 1.00 0.00 H new ATOM 0 HD11 LEU A 603 -8.434 -6.817 16.051 1.00 0.00 H new ATOM 0 HD12 LEU A 603 -9.156 -7.794 14.750 1.00 0.00 H new ATOM 0 HD13 LEU A 603 -7.494 -7.178 14.584 1.00 0.00 H new ATOM 0 HD21 LEU A 603 -8.095 -4.394 15.751 1.00 0.00 H new ATOM 0 HD22 LEU A 603 -7.144 -4.660 14.271 1.00 0.00 H new ATOM 0 HD23 LEU A 603 -8.573 -3.599 14.232 1.00 0.00 H new ATOM 1033 N ASN A 604 -11.000 -4.730 10.234 1.00 0.00 N ATOM 1034 CA ASN A 604 -11.495 -5.014 8.897 1.00 0.00 C ATOM 1035 C ASN A 604 -12.142 -3.775 8.280 1.00 0.00 C ATOM 1036 O ASN A 604 -13.214 -3.858 7.680 1.00 0.00 O ATOM 1037 CB ASN A 604 -12.513 -6.148 8.961 1.00 0.00 C ATOM 1038 CG ASN A 604 -13.126 -6.309 10.339 1.00 0.00 C ATOM 1039 OD1 ASN A 604 -14.202 -5.781 10.619 1.00 0.00 O ATOM 1040 ND2 ASN A 604 -12.440 -7.040 11.210 1.00 0.00 N ATOM 0 H ASN A 604 -11.710 -4.381 10.877 1.00 0.00 H new ATOM 0 HA ASN A 604 -10.653 -5.309 8.271 1.00 0.00 H new ATOM 0 HB2 ASN A 604 -13.305 -5.961 8.236 1.00 0.00 H new ATOM 0 HB3 ASN A 604 -12.030 -7.081 8.672 1.00 0.00 H new ATOM 0 HD21 ASN A 604 -12.801 -7.182 12.153 1.00 0.00 H new ATOM 0 HD22 ASN A 604 -11.552 -7.460 10.936 1.00 0.00 H new ATOM 1047 N PRO A 605 -11.500 -2.606 8.427 1.00 0.00 N ATOM 1048 CA PRO A 605 -12.019 -1.341 7.891 1.00 0.00 C ATOM 1049 C PRO A 605 -11.926 -1.256 6.373 1.00 0.00 C ATOM 1050 O PRO A 605 -11.340 -2.123 5.726 1.00 0.00 O ATOM 1051 CB PRO A 605 -11.113 -0.287 8.526 1.00 0.00 C ATOM 1052 CG PRO A 605 -9.840 -1.004 8.819 1.00 0.00 C ATOM 1053 CD PRO A 605 -10.221 -2.424 9.137 1.00 0.00 C ATOM 0 HA PRO A 605 -13.078 -1.219 8.118 1.00 0.00 H new ATOM 0 HB2 PRO A 605 -10.948 0.552 7.850 1.00 0.00 H new ATOM 0 HB3 PRO A 605 -11.556 0.119 9.435 1.00 0.00 H new ATOM 0 HG2 PRO A 605 -9.165 -0.964 7.964 1.00 0.00 H new ATOM 0 HG3 PRO A 605 -9.318 -0.544 9.658 1.00 0.00 H new ATOM 0 HD2 PRO A 605 -9.466 -3.129 8.790 1.00 0.00 H new ATOM 0 HD3 PRO A 605 -10.332 -2.579 10.210 1.00 0.00 H new ATOM 1061 N GLU A 606 -12.503 -0.194 5.818 1.00 0.00 N ATOM 1062 CA GLU A 606 -12.488 0.031 4.377 1.00 0.00 C ATOM 1063 C GLU A 606 -11.827 1.367 4.055 1.00 0.00 C ATOM 1064 O GLU A 606 -12.290 2.420 4.494 1.00 0.00 O ATOM 1065 CB GLU A 606 -13.912 0.003 3.820 1.00 0.00 C ATOM 1066 CG GLU A 606 -13.973 0.048 2.301 1.00 0.00 C ATOM 1067 CD GLU A 606 -15.391 -0.026 1.772 1.00 0.00 C ATOM 1068 OE1 GLU A 606 -16.331 0.231 2.554 1.00 0.00 O ATOM 1069 OE2 GLU A 606 -15.563 -0.339 0.575 1.00 0.00 O ATOM 0 H GLU A 606 -12.990 0.528 6.349 1.00 0.00 H new ATOM 0 HA GLU A 606 -11.912 -0.767 3.909 1.00 0.00 H new ATOM 0 HB2 GLU A 606 -14.412 -0.901 4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 606 -14.467 0.850 4.223 1.00 0.00 H new ATOM 0 HG2 GLU A 606 -13.506 0.968 1.949 1.00 0.00 H new ATOM 0 HG3 GLU A 606 -13.393 -0.780 1.893 1.00 0.00 H new ATOM 1076 N PHE A 607 -10.739 1.319 3.294 1.00 0.00 N ATOM 1077 CA PHE A 607 -10.011 2.527 2.927 1.00 0.00 C ATOM 1078 C PHE A 607 -10.562 3.141 1.643 1.00 0.00 C ATOM 1079 O PHE A 607 -10.983 4.298 1.630 1.00 0.00 O ATOM 1080 CB PHE A 607 -8.524 2.218 2.750 1.00 0.00 C ATOM 1081 CG PHE A 607 -7.869 1.682 3.991 1.00 0.00 C ATOM 1082 CD1 PHE A 607 -7.862 2.421 5.163 1.00 0.00 C ATOM 1083 CD2 PHE A 607 -7.257 0.439 3.982 1.00 0.00 C ATOM 1084 CE1 PHE A 607 -7.256 1.930 6.305 1.00 0.00 C ATOM 1085 CE2 PHE A 607 -6.648 -0.057 5.120 1.00 0.00 C ATOM 1086 CZ PHE A 607 -6.648 0.690 6.284 1.00 0.00 C ATOM 0 H PHE A 607 -10.342 0.457 2.920 1.00 0.00 H new ATOM 0 HA PHE A 607 -10.139 3.247 3.735 1.00 0.00 H new ATOM 0 HB2 PHE A 607 -8.406 1.493 1.945 1.00 0.00 H new ATOM 0 HB3 PHE A 607 -8.007 3.126 2.440 1.00 0.00 H new ATOM 0 HD1 PHE A 607 -8.335 3.392 5.185 1.00 0.00 H new ATOM 0 HD2 PHE A 607 -7.256 -0.149 3.076 1.00 0.00 H new ATOM 0 HE1 PHE A 607 -7.258 2.516 7.212 1.00 0.00 H new ATOM 0 HE2 PHE A 607 -6.173 -1.027 5.100 1.00 0.00 H new ATOM 0 HZ PHE A 607 -6.174 0.305 7.174 1.00 0.00 H new ATOM 1096 N ASN A 608 -10.546 2.367 0.564 1.00 0.00 N ATOM 1097 CA ASN A 608 -11.033 2.848 -0.722 1.00 0.00 C ATOM 1098 C ASN A 608 -10.399 4.195 -1.052 1.00 0.00 C ATOM 1099 O ASN A 608 -11.086 5.144 -1.426 1.00 0.00 O ATOM 1100 CB ASN A 608 -12.556 2.974 -0.702 1.00 0.00 C ATOM 1101 CG ASN A 608 -13.229 1.997 -1.647 1.00 0.00 C ATOM 1102 OD1 ASN A 608 -13.777 2.390 -2.677 1.00 0.00 O ATOM 1103 ND2 ASN A 608 -13.191 0.716 -1.299 1.00 0.00 N ATOM 0 H ASN A 608 -10.202 1.407 0.554 1.00 0.00 H new ATOM 0 HA ASN A 608 -10.754 2.128 -1.491 1.00 0.00 H new ATOM 0 HB2 ASN A 608 -12.919 2.803 0.312 1.00 0.00 H new ATOM 0 HB3 ASN A 608 -12.837 3.991 -0.974 1.00 0.00 H new ATOM 0 HD21 ASN A 608 -13.627 0.012 -1.895 1.00 0.00 H new ATOM 0 HD22 ASN A 608 -12.725 0.436 -0.436 1.00 0.00 H new ATOM 1110 N GLU A 609 -9.080 4.267 -0.896 1.00 0.00 N ATOM 1111 CA GLU A 609 -8.341 5.494 -1.162 1.00 0.00 C ATOM 1112 C GLU A 609 -7.549 5.392 -2.461 1.00 0.00 C ATOM 1113 O GLU A 609 -6.826 4.421 -2.685 1.00 0.00 O ATOM 1114 CB GLU A 609 -7.394 5.799 0.002 1.00 0.00 C ATOM 1115 CG GLU A 609 -7.862 6.946 0.880 1.00 0.00 C ATOM 1116 CD GLU A 609 -8.185 8.196 0.084 1.00 0.00 C ATOM 1117 OE1 GLU A 609 -7.239 8.925 -0.284 1.00 0.00 O ATOM 1118 OE2 GLU A 609 -9.382 8.444 -0.173 1.00 0.00 O ATOM 0 H GLU A 609 -8.501 3.487 -0.586 1.00 0.00 H new ATOM 0 HA GLU A 609 -9.062 6.305 -1.266 1.00 0.00 H new ATOM 0 HB2 GLU A 609 -7.285 4.904 0.615 1.00 0.00 H new ATOM 0 HB3 GLU A 609 -6.407 6.036 -0.396 1.00 0.00 H new ATOM 0 HG2 GLU A 609 -8.746 6.635 1.436 1.00 0.00 H new ATOM 0 HG3 GLU A 609 -7.089 7.176 1.613 1.00 0.00 H new ATOM 1125 N GLU A 610 -7.686 6.404 -3.312 1.00 0.00 N ATOM 1126 CA GLU A 610 -6.981 6.431 -4.586 1.00 0.00 C ATOM 1127 C GLU A 610 -5.824 7.427 -4.543 1.00 0.00 C ATOM 1128 O GLU A 610 -6.033 8.637 -4.452 1.00 0.00 O ATOM 1129 CB GLU A 610 -7.941 6.790 -5.722 1.00 0.00 C ATOM 1130 CG GLU A 610 -8.537 8.184 -5.599 1.00 0.00 C ATOM 1131 CD GLU A 610 -9.872 8.310 -6.306 1.00 0.00 C ATOM 1132 OE1 GLU A 610 -10.902 7.950 -5.698 1.00 0.00 O ATOM 1133 OE2 GLU A 610 -9.889 8.772 -7.466 1.00 0.00 O ATOM 0 H GLU A 610 -8.279 7.216 -3.141 1.00 0.00 H new ATOM 0 HA GLU A 610 -6.575 5.436 -4.770 1.00 0.00 H new ATOM 0 HB2 GLU A 610 -7.412 6.713 -6.672 1.00 0.00 H new ATOM 0 HB3 GLU A 610 -8.749 6.059 -5.748 1.00 0.00 H new ATOM 0 HG2 GLU A 610 -8.664 8.430 -4.545 1.00 0.00 H new ATOM 0 HG3 GLU A 610 -7.840 8.912 -6.014 1.00 0.00 H new ATOM 1140 N PHE A 611 -4.606 6.904 -4.593 1.00 0.00 N ATOM 1141 CA PHE A 611 -3.404 7.730 -4.544 1.00 0.00 C ATOM 1142 C PHE A 611 -2.862 8.040 -5.935 1.00 0.00 C ATOM 1143 O PHE A 611 -3.351 7.525 -6.941 1.00 0.00 O ATOM 1144 CB PHE A 611 -2.328 7.019 -3.737 1.00 0.00 C ATOM 1145 CG PHE A 611 -2.522 7.140 -2.260 1.00 0.00 C ATOM 1146 CD1 PHE A 611 -3.433 6.333 -1.603 1.00 0.00 C ATOM 1147 CD2 PHE A 611 -1.792 8.058 -1.533 1.00 0.00 C ATOM 1148 CE1 PHE A 611 -3.612 6.440 -0.237 1.00 0.00 C ATOM 1149 CE2 PHE A 611 -1.963 8.172 -0.168 1.00 0.00 C ATOM 1150 CZ PHE A 611 -2.875 7.362 0.483 1.00 0.00 C ATOM 0 H PHE A 611 -4.422 5.903 -4.668 1.00 0.00 H new ATOM 0 HA PHE A 611 -3.676 8.674 -4.072 1.00 0.00 H new ATOM 0 HB2 PHE A 611 -2.316 5.964 -4.010 1.00 0.00 H new ATOM 0 HB3 PHE A 611 -1.353 7.428 -4.003 1.00 0.00 H new ATOM 0 HD1 PHE A 611 -4.010 5.612 -2.163 1.00 0.00 H new ATOM 0 HD2 PHE A 611 -1.079 8.694 -2.037 1.00 0.00 H new ATOM 0 HE1 PHE A 611 -4.326 5.805 0.267 1.00 0.00 H new ATOM 0 HE2 PHE A 611 -1.385 8.893 0.391 1.00 0.00 H new ATOM 0 HZ PHE A 611 -3.011 7.449 1.551 1.00 0.00 H new ATOM 1160 N PHE A 612 -1.830 8.877 -5.969 1.00 0.00 N ATOM 1161 CA PHE A 612 -1.182 9.266 -7.215 1.00 0.00 C ATOM 1162 C PHE A 612 0.307 9.506 -6.981 1.00 0.00 C ATOM 1163 O PHE A 612 0.689 10.290 -6.112 1.00 0.00 O ATOM 1164 CB PHE A 612 -1.832 10.529 -7.785 1.00 0.00 C ATOM 1165 CG PHE A 612 -1.439 10.816 -9.207 1.00 0.00 C ATOM 1166 CD1 PHE A 612 -1.264 9.782 -10.112 1.00 0.00 C ATOM 1167 CD2 PHE A 612 -1.243 12.119 -9.636 1.00 0.00 C ATOM 1168 CE1 PHE A 612 -0.903 10.041 -11.420 1.00 0.00 C ATOM 1169 CE2 PHE A 612 -0.880 12.384 -10.943 1.00 0.00 C ATOM 1170 CZ PHE A 612 -0.710 11.344 -11.836 1.00 0.00 C ATOM 0 H PHE A 612 -1.421 9.303 -5.137 1.00 0.00 H new ATOM 0 HA PHE A 612 -1.302 8.456 -7.935 1.00 0.00 H new ATOM 0 HB2 PHE A 612 -2.916 10.427 -7.729 1.00 0.00 H new ATOM 0 HB3 PHE A 612 -1.560 11.381 -7.162 1.00 0.00 H new ATOM 0 HD1 PHE A 612 -1.412 8.761 -9.791 1.00 0.00 H new ATOM 0 HD2 PHE A 612 -1.375 12.936 -8.942 1.00 0.00 H new ATOM 0 HE1 PHE A 612 -0.772 9.226 -12.116 1.00 0.00 H new ATOM 0 HE2 PHE A 612 -0.729 13.404 -11.266 1.00 0.00 H new ATOM 0 HZ PHE A 612 -0.427 11.549 -12.858 1.00 0.00 H new ATOM 1180 N TYR A 613 1.145 8.823 -7.752 1.00 0.00 N ATOM 1181 CA TYR A 613 2.589 8.960 -7.619 1.00 0.00 C ATOM 1182 C TYR A 613 3.161 9.789 -8.760 1.00 0.00 C ATOM 1183 O TYR A 613 2.555 9.897 -9.826 1.00 0.00 O ATOM 1184 CB TYR A 613 3.250 7.583 -7.583 1.00 0.00 C ATOM 1185 CG TYR A 613 3.470 7.069 -6.183 1.00 0.00 C ATOM 1186 CD1 TYR A 613 2.429 6.498 -5.464 1.00 0.00 C ATOM 1187 CD2 TYR A 613 4.714 7.158 -5.582 1.00 0.00 C ATOM 1188 CE1 TYR A 613 2.622 6.028 -4.178 1.00 0.00 C ATOM 1189 CE2 TYR A 613 4.920 6.691 -4.297 1.00 0.00 C ATOM 1190 CZ TYR A 613 3.871 6.127 -3.599 1.00 0.00 C ATOM 1191 OH TYR A 613 4.071 5.661 -2.319 1.00 0.00 O ATOM 0 H TYR A 613 0.848 8.169 -8.476 1.00 0.00 H new ATOM 0 HA TYR A 613 2.799 9.476 -6.682 1.00 0.00 H new ATOM 0 HB2 TYR A 613 2.629 6.874 -8.130 1.00 0.00 H new ATOM 0 HB3 TYR A 613 4.208 7.633 -8.100 1.00 0.00 H new ATOM 0 HD1 TYR A 613 1.452 6.419 -5.917 1.00 0.00 H new ATOM 0 HD2 TYR A 613 5.536 7.599 -6.125 1.00 0.00 H new ATOM 0 HE1 TYR A 613 1.802 5.587 -3.631 1.00 0.00 H new ATOM 0 HE2 TYR A 613 5.896 6.767 -3.842 1.00 0.00 H new ATOM 0 HH TYR A 613 4.326 6.406 -1.736 1.00 0.00 H new ATOM 1201 N ASP A 614 4.329 10.376 -8.529 1.00 0.00 N ATOM 1202 CA ASP A 614 4.974 11.198 -9.543 1.00 0.00 C ATOM 1203 C ASP A 614 6.223 10.515 -10.089 1.00 0.00 C ATOM 1204 O ASP A 614 7.339 11.003 -9.912 1.00 0.00 O ATOM 1205 CB ASP A 614 5.336 12.568 -8.966 1.00 0.00 C ATOM 1206 CG ASP A 614 5.132 13.688 -9.966 1.00 0.00 C ATOM 1207 OD1 ASP A 614 4.844 13.388 -11.144 1.00 0.00 O ATOM 1208 OD2 ASP A 614 5.259 14.867 -9.571 1.00 0.00 O ATOM 0 H ASP A 614 4.846 10.298 -7.653 1.00 0.00 H new ATOM 0 HA ASP A 614 4.270 11.332 -10.365 1.00 0.00 H new ATOM 0 HB2 ASP A 614 4.728 12.759 -8.082 1.00 0.00 H new ATOM 0 HB3 ASP A 614 6.377 12.559 -8.642 1.00 0.00 H new ATOM 1213 N ILE A 615 6.026 9.381 -10.755 1.00 0.00 N ATOM 1214 CA ILE A 615 7.135 8.630 -11.329 1.00 0.00 C ATOM 1215 C ILE A 615 6.834 8.241 -12.772 1.00 0.00 C ATOM 1216 O ILE A 615 5.709 7.867 -13.103 1.00 0.00 O ATOM 1217 CB ILE A 615 7.437 7.362 -10.500 1.00 0.00 C ATOM 1218 CG1 ILE A 615 8.327 6.384 -11.277 1.00 0.00 C ATOM 1219 CG2 ILE A 615 6.146 6.684 -10.067 1.00 0.00 C ATOM 1220 CD1 ILE A 615 9.805 6.656 -11.126 1.00 0.00 C ATOM 0 H ILE A 615 5.109 8.963 -10.910 1.00 0.00 H new ATOM 0 HA ILE A 615 8.013 9.275 -11.311 1.00 0.00 H new ATOM 0 HB ILE A 615 7.982 7.671 -9.608 1.00 0.00 H new ATOM 0 HG12 ILE A 615 8.117 5.369 -10.939 1.00 0.00 H new ATOM 0 HG13 ILE A 615 8.065 6.429 -12.334 1.00 0.00 H new ATOM 0 HG21 ILE A 615 6.381 5.793 -9.484 1.00 0.00 H new ATOM 0 HG22 ILE A 615 5.560 7.372 -9.458 1.00 0.00 H new ATOM 0 HG23 ILE A 615 5.571 6.400 -10.948 1.00 0.00 H new ATOM 0 HD11 ILE A 615 10.370 5.925 -11.703 1.00 0.00 H new ATOM 0 HD12 ILE A 615 10.030 7.658 -11.491 1.00 0.00 H new ATOM 0 HD13 ILE A 615 10.083 6.582 -10.075 1.00 0.00 H new ATOM 1232 N LYS A 616 7.851 8.324 -13.625 1.00 0.00 N ATOM 1233 CA LYS A 616 7.695 7.972 -15.031 1.00 0.00 C ATOM 1234 C LYS A 616 7.621 6.462 -15.198 1.00 0.00 C ATOM 1235 O LYS A 616 8.440 5.725 -14.651 1.00 0.00 O ATOM 1236 CB LYS A 616 8.855 8.526 -15.859 1.00 0.00 C ATOM 1237 CG LYS A 616 9.232 9.952 -15.504 1.00 0.00 C ATOM 1238 CD LYS A 616 8.165 10.940 -15.949 1.00 0.00 C ATOM 1239 CE LYS A 616 8.655 12.375 -15.844 1.00 0.00 C ATOM 1240 NZ LYS A 616 7.563 13.305 -15.443 1.00 0.00 N ATOM 0 H LYS A 616 8.789 8.631 -13.367 1.00 0.00 H new ATOM 0 HA LYS A 616 6.765 8.415 -15.388 1.00 0.00 H new ATOM 0 HB2 LYS A 616 9.726 7.885 -15.723 1.00 0.00 H new ATOM 0 HB3 LYS A 616 8.589 8.482 -16.915 1.00 0.00 H new ATOM 0 HG2 LYS A 616 9.377 10.033 -14.427 1.00 0.00 H new ATOM 0 HG3 LYS A 616 10.182 10.206 -15.974 1.00 0.00 H new ATOM 0 HD2 LYS A 616 7.878 10.727 -16.979 1.00 0.00 H new ATOM 0 HD3 LYS A 616 7.272 10.814 -15.336 1.00 0.00 H new ATOM 0 HE2 LYS A 616 9.465 12.430 -15.116 1.00 0.00 H new ATOM 0 HE3 LYS A 616 9.066 12.690 -16.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 616 7.937 14.274 -15.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 616 6.801 13.272 -16.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 616 7.187 13.020 -14.516 1.00 0.00 H new ATOM 1254 N HIS A 617 6.633 6.006 -15.956 1.00 0.00 N ATOM 1255 CA HIS A 617 6.453 4.582 -16.194 1.00 0.00 C ATOM 1256 C HIS A 617 7.790 3.899 -16.460 1.00 0.00 C ATOM 1257 O HIS A 617 8.059 2.816 -15.939 1.00 0.00 O ATOM 1258 CB HIS A 617 5.521 4.357 -17.380 1.00 0.00 C ATOM 1259 CG HIS A 617 5.351 2.914 -17.727 1.00 0.00 C ATOM 1260 ND1 HIS A 617 6.244 2.219 -18.516 1.00 0.00 N ATOM 1261 CD2 HIS A 617 4.390 2.027 -17.380 1.00 0.00 C ATOM 1262 CE1 HIS A 617 5.839 0.969 -18.638 1.00 0.00 C ATOM 1263 NE2 HIS A 617 4.718 0.826 -17.959 1.00 0.00 N ATOM 0 H HIS A 617 5.945 6.602 -16.416 1.00 0.00 H new ATOM 0 HA HIS A 617 6.010 4.147 -15.298 1.00 0.00 H new ATOM 0 HB2 HIS A 617 4.545 4.788 -17.154 1.00 0.00 H new ATOM 0 HB3 HIS A 617 5.911 4.889 -18.247 1.00 0.00 H new ATOM 0 HD2 HIS A 617 3.526 2.226 -16.763 1.00 0.00 H new ATOM 0 HE1 HIS A 617 6.341 0.194 -19.199 1.00 0.00 H new ATOM 0 HE2 HIS A 617 4.181 -0.037 -17.877 1.00 0.00 H new ATOM 1272 N SER A 618 8.622 4.534 -17.278 1.00 0.00 N ATOM 1273 CA SER A 618 9.928 3.980 -17.614 1.00 0.00 C ATOM 1274 C SER A 618 10.729 3.682 -16.353 1.00 0.00 C ATOM 1275 O SER A 618 11.614 2.828 -16.354 1.00 0.00 O ATOM 1276 CB SER A 618 10.704 4.947 -18.511 1.00 0.00 C ATOM 1277 OG SER A 618 9.829 5.842 -19.175 1.00 0.00 O ATOM 0 H SER A 618 8.416 5.430 -17.719 1.00 0.00 H new ATOM 0 HA SER A 618 9.771 3.046 -18.154 1.00 0.00 H new ATOM 0 HB2 SER A 618 11.418 5.510 -17.911 1.00 0.00 H new ATOM 0 HB3 SER A 618 11.279 4.384 -19.246 1.00 0.00 H new ATOM 0 HG SER A 618 10.350 6.450 -19.740 1.00 0.00 H new ATOM 1283 N ASP A 619 10.405 4.390 -15.278 1.00 0.00 N ATOM 1284 CA ASP A 619 11.089 4.201 -14.006 1.00 0.00 C ATOM 1285 C ASP A 619 10.235 3.364 -13.059 1.00 0.00 C ATOM 1286 O ASP A 619 10.756 2.644 -12.207 1.00 0.00 O ATOM 1287 CB ASP A 619 11.412 5.554 -13.371 1.00 0.00 C ATOM 1288 CG ASP A 619 12.420 6.346 -14.180 1.00 0.00 C ATOM 1289 OD1 ASP A 619 13.404 5.742 -14.657 1.00 0.00 O ATOM 1290 OD2 ASP A 619 12.226 7.570 -14.336 1.00 0.00 O ATOM 0 H ASP A 619 9.673 5.100 -15.262 1.00 0.00 H new ATOM 0 HA ASP A 619 12.022 3.670 -14.192 1.00 0.00 H new ATOM 0 HB2 ASP A 619 10.494 6.134 -13.271 1.00 0.00 H new ATOM 0 HB3 ASP A 619 11.801 5.397 -12.365 1.00 0.00 H new ATOM 1295 N LEU A 620 8.919 3.461 -13.223 1.00 0.00 N ATOM 1296 CA LEU A 620 7.980 2.711 -12.394 1.00 0.00 C ATOM 1297 C LEU A 620 8.554 1.341 -12.038 1.00 0.00 C ATOM 1298 O LEU A 620 8.844 1.060 -10.878 1.00 0.00 O ATOM 1299 CB LEU A 620 6.650 2.529 -13.139 1.00 0.00 C ATOM 1300 CG LEU A 620 5.466 3.405 -12.691 1.00 0.00 C ATOM 1301 CD1 LEU A 620 4.262 2.532 -12.385 1.00 0.00 C ATOM 1302 CD2 LEU A 620 5.811 4.266 -11.482 1.00 0.00 C ATOM 0 H LEU A 620 8.477 4.054 -13.925 1.00 0.00 H new ATOM 0 HA LEU A 620 7.809 3.273 -11.476 1.00 0.00 H new ATOM 0 HB2 LEU A 620 6.828 2.717 -14.198 1.00 0.00 H new ATOM 0 HB3 LEU A 620 6.351 1.485 -13.047 1.00 0.00 H new ATOM 0 HG LEU A 620 5.230 4.081 -13.513 1.00 0.00 H new ATOM 0 HD11 LEU A 620 3.429 3.159 -12.069 1.00 0.00 H new ATOM 0 HD12 LEU A 620 3.979 1.976 -13.279 1.00 0.00 H new ATOM 0 HD13 LEU A 620 4.513 1.833 -11.587 1.00 0.00 H new ATOM 0 HD21 LEU A 620 4.945 4.866 -11.203 1.00 0.00 H new ATOM 0 HD22 LEU A 620 6.092 3.625 -10.647 1.00 0.00 H new ATOM 0 HD23 LEU A 620 6.644 4.924 -11.730 1.00 0.00 H new ATOM 1314 N ALA A 621 8.712 0.498 -13.050 1.00 0.00 N ATOM 1315 CA ALA A 621 9.252 -0.846 -12.866 1.00 0.00 C ATOM 1316 C ALA A 621 10.342 -0.878 -11.794 1.00 0.00 C ATOM 1317 O ALA A 621 10.246 -1.622 -10.819 1.00 0.00 O ATOM 1318 CB ALA A 621 9.802 -1.355 -14.190 1.00 0.00 C ATOM 0 H ALA A 621 8.472 0.723 -14.016 1.00 0.00 H new ATOM 0 HA ALA A 621 8.444 -1.494 -12.527 1.00 0.00 H new ATOM 0 HB1 ALA A 621 10.206 -2.358 -14.055 1.00 0.00 H new ATOM 0 HB2 ALA A 621 9.002 -1.382 -14.930 1.00 0.00 H new ATOM 0 HB3 ALA A 621 10.593 -0.689 -14.535 1.00 0.00 H new ATOM 1324 N LYS A 622 11.384 -0.071 -11.984 1.00 0.00 N ATOM 1325 CA LYS A 622 12.499 -0.019 -11.046 1.00 0.00 C ATOM 1326 C LYS A 622 12.040 0.425 -9.668 1.00 0.00 C ATOM 1327 O LYS A 622 12.719 0.187 -8.670 1.00 0.00 O ATOM 1328 CB LYS A 622 13.582 0.932 -11.560 1.00 0.00 C ATOM 1329 CG LYS A 622 14.168 0.520 -12.901 1.00 0.00 C ATOM 1330 CD LYS A 622 14.424 1.726 -13.789 1.00 0.00 C ATOM 1331 CE LYS A 622 14.078 1.432 -15.240 1.00 0.00 C ATOM 1332 NZ LYS A 622 14.595 0.106 -15.677 1.00 0.00 N ATOM 0 H LYS A 622 11.478 0.557 -12.782 1.00 0.00 H new ATOM 0 HA LYS A 622 12.910 -1.025 -10.964 1.00 0.00 H new ATOM 0 HB2 LYS A 622 13.162 1.934 -11.649 1.00 0.00 H new ATOM 0 HB3 LYS A 622 14.384 0.987 -10.824 1.00 0.00 H new ATOM 0 HG2 LYS A 622 15.101 -0.021 -12.741 1.00 0.00 H new ATOM 0 HG3 LYS A 622 13.485 -0.165 -13.403 1.00 0.00 H new ATOM 0 HD2 LYS A 622 13.832 2.571 -13.437 1.00 0.00 H new ATOM 0 HD3 LYS A 622 15.472 2.018 -13.715 1.00 0.00 H new ATOM 0 HE2 LYS A 622 12.996 1.460 -15.368 1.00 0.00 H new ATOM 0 HE3 LYS A 622 14.494 2.212 -15.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 622 14.792 0.129 -16.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 622 15.471 -0.113 -15.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 622 13.884 -0.626 -15.478 1.00 0.00 H new ATOM 1346 N LYS A 623 10.887 1.076 -9.618 1.00 0.00 N ATOM 1347 CA LYS A 623 10.353 1.552 -8.356 1.00 0.00 C ATOM 1348 C LYS A 623 9.994 0.391 -7.441 1.00 0.00 C ATOM 1349 O LYS A 623 10.017 -0.770 -7.851 1.00 0.00 O ATOM 1350 CB LYS A 623 9.116 2.421 -8.576 1.00 0.00 C ATOM 1351 CG LYS A 623 9.340 3.582 -9.524 1.00 0.00 C ATOM 1352 CD LYS A 623 10.064 4.728 -8.841 1.00 0.00 C ATOM 1353 CE LYS A 623 11.460 4.923 -9.411 1.00 0.00 C ATOM 1354 NZ LYS A 623 12.515 4.479 -8.461 1.00 0.00 N ATOM 0 H LYS A 623 10.309 1.284 -10.432 1.00 0.00 H new ATOM 0 HA LYS A 623 11.131 2.152 -7.883 1.00 0.00 H new ATOM 0 HB2 LYS A 623 8.311 1.798 -8.965 1.00 0.00 H new ATOM 0 HB3 LYS A 623 8.782 2.810 -7.614 1.00 0.00 H new ATOM 0 HG2 LYS A 623 9.920 3.245 -10.383 1.00 0.00 H new ATOM 0 HG3 LYS A 623 8.381 3.932 -9.905 1.00 0.00 H new ATOM 0 HD2 LYS A 623 9.489 5.646 -8.961 1.00 0.00 H new ATOM 0 HD3 LYS A 623 10.131 4.532 -7.771 1.00 0.00 H new ATOM 0 HE2 LYS A 623 11.553 4.365 -10.343 1.00 0.00 H new ATOM 0 HE3 LYS A 623 11.609 5.975 -9.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 623 13.103 5.293 -8.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 623 12.070 4.075 -7.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 623 13.111 3.758 -8.916 1.00 0.00 H new ATOM 1368 N SER A 624 9.651 0.715 -6.202 1.00 0.00 N ATOM 1369 CA SER A 624 9.273 -0.288 -5.224 1.00 0.00 C ATOM 1370 C SER A 624 8.274 0.295 -4.232 1.00 0.00 C ATOM 1371 O SER A 624 8.640 1.073 -3.350 1.00 0.00 O ATOM 1372 CB SER A 624 10.507 -0.803 -4.487 1.00 0.00 C ATOM 1373 OG SER A 624 11.698 -0.375 -5.127 1.00 0.00 O ATOM 0 H SER A 624 9.628 1.673 -5.851 1.00 0.00 H new ATOM 0 HA SER A 624 8.805 -1.123 -5.745 1.00 0.00 H new ATOM 0 HB2 SER A 624 10.495 -0.446 -3.457 1.00 0.00 H new ATOM 0 HB3 SER A 624 10.483 -1.892 -4.447 1.00 0.00 H new ATOM 0 HG SER A 624 12.474 -0.716 -4.636 1.00 0.00 H new ATOM 1379 N LEU A 625 7.010 -0.079 -4.384 1.00 0.00 N ATOM 1380 CA LEU A 625 5.958 0.414 -3.506 1.00 0.00 C ATOM 1381 C LEU A 625 5.969 -0.337 -2.182 1.00 0.00 C ATOM 1382 O LEU A 625 6.252 -1.533 -2.138 1.00 0.00 O ATOM 1383 CB LEU A 625 4.594 0.270 -4.180 1.00 0.00 C ATOM 1384 CG LEU A 625 3.424 0.893 -3.417 1.00 0.00 C ATOM 1385 CD1 LEU A 625 3.471 2.410 -3.513 1.00 0.00 C ATOM 1386 CD2 LEU A 625 2.101 0.364 -3.948 1.00 0.00 C ATOM 0 H LEU A 625 6.689 -0.722 -5.107 1.00 0.00 H new ATOM 0 HA LEU A 625 6.144 1.470 -3.307 1.00 0.00 H new ATOM 0 HB2 LEU A 625 4.645 0.724 -5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 625 4.389 -0.790 -4.326 1.00 0.00 H new ATOM 0 HG LEU A 625 3.509 0.614 -2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 625 2.631 2.836 -2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 625 4.405 2.773 -3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 625 3.411 2.710 -4.559 1.00 0.00 H new ATOM 0 HD21 LEU A 625 1.279 0.818 -3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 625 2.007 0.613 -5.005 1.00 0.00 H new ATOM 0 HD23 LEU A 625 2.067 -0.719 -3.826 1.00 0.00 H new ATOM 1398 N ASP A 626 5.668 0.374 -1.102 1.00 0.00 N ATOM 1399 CA ASP A 626 5.653 -0.231 0.222 1.00 0.00 C ATOM 1400 C ASP A 626 4.358 0.084 0.959 1.00 0.00 C ATOM 1401 O ASP A 626 4.218 1.147 1.565 1.00 0.00 O ATOM 1402 CB ASP A 626 6.852 0.256 1.037 1.00 0.00 C ATOM 1403 CG ASP A 626 6.690 -0.011 2.521 1.00 0.00 C ATOM 1404 OD1 ASP A 626 6.102 0.842 3.217 1.00 0.00 O ATOM 1405 OD2 ASP A 626 7.153 -1.074 2.986 1.00 0.00 O ATOM 0 H ASP A 626 5.432 1.366 -1.118 1.00 0.00 H new ATOM 0 HA ASP A 626 5.717 -1.312 0.099 1.00 0.00 H new ATOM 0 HB2 ASP A 626 7.756 -0.237 0.679 1.00 0.00 H new ATOM 0 HB3 ASP A 626 6.987 1.326 0.876 1.00 0.00 H new ATOM 1410 N ILE A 627 3.416 -0.853 0.910 1.00 0.00 N ATOM 1411 CA ILE A 627 2.135 -0.686 1.583 1.00 0.00 C ATOM 1412 C ILE A 627 2.191 -1.279 2.984 1.00 0.00 C ATOM 1413 O ILE A 627 2.047 -2.489 3.164 1.00 0.00 O ATOM 1414 CB ILE A 627 0.993 -1.354 0.794 1.00 0.00 C ATOM 1415 CG1 ILE A 627 1.132 -1.049 -0.698 1.00 0.00 C ATOM 1416 CG2 ILE A 627 -0.357 -0.882 1.314 1.00 0.00 C ATOM 1417 CD1 ILE A 627 1.681 -2.208 -1.502 1.00 0.00 C ATOM 0 H ILE A 627 3.517 -1.736 0.410 1.00 0.00 H new ATOM 0 HA ILE A 627 1.936 0.384 1.645 1.00 0.00 H new ATOM 0 HB ILE A 627 1.056 -2.433 0.933 1.00 0.00 H new ATOM 0 HG12 ILE A 627 0.156 -0.770 -1.096 1.00 0.00 H new ATOM 0 HG13 ILE A 627 1.786 -0.187 -0.825 1.00 0.00 H new ATOM 0 HG21 ILE A 627 -1.154 -1.363 0.747 1.00 0.00 H new ATOM 0 HG22 ILE A 627 -0.453 -1.144 2.368 1.00 0.00 H new ATOM 0 HG23 ILE A 627 -0.433 0.199 1.201 1.00 0.00 H new ATOM 0 HD11 ILE A 627 1.753 -1.921 -2.551 1.00 0.00 H new ATOM 0 HD12 ILE A 627 2.671 -2.473 -1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 627 1.015 -3.066 -1.405 1.00 0.00 H new ATOM 1429 N SER A 628 2.419 -0.423 3.972 1.00 0.00 N ATOM 1430 CA SER A 628 2.515 -0.867 5.358 1.00 0.00 C ATOM 1431 C SER A 628 1.324 -0.397 6.182 1.00 0.00 C ATOM 1432 O SER A 628 0.968 0.782 6.167 1.00 0.00 O ATOM 1433 CB SER A 628 3.812 -0.356 5.987 1.00 0.00 C ATOM 1434 OG SER A 628 3.793 1.056 6.119 1.00 0.00 O ATOM 0 H SER A 628 2.541 0.581 3.840 1.00 0.00 H new ATOM 0 HA SER A 628 2.515 -1.957 5.355 1.00 0.00 H new ATOM 0 HB2 SER A 628 3.950 -0.814 6.966 1.00 0.00 H new ATOM 0 HB3 SER A 628 4.661 -0.656 5.372 1.00 0.00 H new ATOM 0 HG SER A 628 2.867 1.375 6.090 1.00 0.00 H new ATOM 1440 N VAL A 629 0.722 -1.330 6.912 1.00 0.00 N ATOM 1441 CA VAL A 629 -0.418 -1.020 7.760 1.00 0.00 C ATOM 1442 C VAL A 629 0.025 -0.911 9.216 1.00 0.00 C ATOM 1443 O VAL A 629 0.649 -1.827 9.752 1.00 0.00 O ATOM 1444 CB VAL A 629 -1.518 -2.092 7.646 1.00 0.00 C ATOM 1445 CG1 VAL A 629 -2.815 -1.597 8.265 1.00 0.00 C ATOM 1446 CG2 VAL A 629 -1.728 -2.484 6.191 1.00 0.00 C ATOM 0 H VAL A 629 1.007 -2.309 6.932 1.00 0.00 H new ATOM 0 HA VAL A 629 -0.827 -0.068 7.422 1.00 0.00 H new ATOM 0 HB VAL A 629 -1.197 -2.977 8.196 1.00 0.00 H new ATOM 0 HG11 VAL A 629 -3.579 -2.369 8.174 1.00 0.00 H new ATOM 0 HG12 VAL A 629 -2.652 -1.370 9.319 1.00 0.00 H new ATOM 0 HG13 VAL A 629 -3.145 -0.697 7.747 1.00 0.00 H new ATOM 0 HG21 VAL A 629 -2.508 -3.242 6.127 1.00 0.00 H new ATOM 0 HG22 VAL A 629 -2.027 -1.607 5.617 1.00 0.00 H new ATOM 0 HG23 VAL A 629 -0.799 -2.884 5.784 1.00 0.00 H new ATOM 1456 N TRP A 630 -0.280 0.216 9.848 1.00 0.00 N ATOM 1457 CA TRP A 630 0.112 0.437 11.235 1.00 0.00 C ATOM 1458 C TRP A 630 -1.095 0.729 12.118 1.00 0.00 C ATOM 1459 O TRP A 630 -2.061 1.352 11.678 1.00 0.00 O ATOM 1460 CB TRP A 630 1.096 1.603 11.312 1.00 0.00 C ATOM 1461 CG TRP A 630 2.375 1.357 10.573 1.00 0.00 C ATOM 1462 CD1 TRP A 630 2.547 1.322 9.220 1.00 0.00 C ATOM 1463 CD2 TRP A 630 3.664 1.114 11.149 1.00 0.00 C ATOM 1464 NE1 TRP A 630 3.863 1.072 8.917 1.00 0.00 N ATOM 1465 CE2 TRP A 630 4.570 0.941 10.084 1.00 0.00 C ATOM 1466 CE3 TRP A 630 4.140 1.029 12.459 1.00 0.00 C ATOM 1467 CZ2 TRP A 630 5.923 0.686 10.293 1.00 0.00 C ATOM 1468 CZ3 TRP A 630 5.483 0.775 12.665 1.00 0.00 C ATOM 1469 CH2 TRP A 630 6.360 0.607 11.587 1.00 0.00 C ATOM 0 H TRP A 630 -0.795 0.988 9.425 1.00 0.00 H new ATOM 0 HA TRP A 630 0.585 -0.475 11.600 1.00 0.00 H new ATOM 0 HB2 TRP A 630 0.620 2.497 10.909 1.00 0.00 H new ATOM 0 HB3 TRP A 630 1.324 1.807 12.358 1.00 0.00 H new ATOM 0 HD1 TRP A 630 1.762 1.469 8.493 1.00 0.00 H new ATOM 0 HE1 TRP A 630 4.251 0.996 7.977 1.00 0.00 H new ATOM 0 HE3 TRP A 630 3.471 1.159 13.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 630 6.603 0.555 9.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 630 5.862 0.705 13.674 1.00 0.00 H new ATOM 0 HH2 TRP A 630 7.404 0.411 11.781 1.00 0.00 H new ATOM 1480 N ASP A 631 -1.025 0.289 13.372 1.00 0.00 N ATOM 1481 CA ASP A 631 -2.109 0.521 14.320 1.00 0.00 C ATOM 1482 C ASP A 631 -1.958 1.896 14.965 1.00 0.00 C ATOM 1483 O ASP A 631 -1.014 2.147 15.714 1.00 0.00 O ATOM 1484 CB ASP A 631 -2.140 -0.580 15.390 1.00 0.00 C ATOM 1485 CG ASP A 631 -2.670 -0.097 16.729 1.00 0.00 C ATOM 1486 OD1 ASP A 631 -1.934 0.626 17.434 1.00 0.00 O ATOM 1487 OD2 ASP A 631 -3.822 -0.441 17.071 1.00 0.00 O ATOM 0 H ASP A 631 -0.232 -0.228 13.753 1.00 0.00 H new ATOM 0 HA ASP A 631 -3.055 0.492 13.780 1.00 0.00 H new ATOM 0 HB2 ASP A 631 -2.760 -1.404 15.037 1.00 0.00 H new ATOM 0 HB3 ASP A 631 -1.133 -0.974 15.526 1.00 0.00 H new ATOM 1492 N TYR A 632 -2.895 2.781 14.657 1.00 0.00 N ATOM 1493 CA TYR A 632 -2.883 4.137 15.186 1.00 0.00 C ATOM 1494 C TYR A 632 -3.180 4.156 16.680 1.00 0.00 C ATOM 1495 O TYR A 632 -3.675 3.179 17.242 1.00 0.00 O ATOM 1496 CB TYR A 632 -3.908 4.989 14.444 1.00 0.00 C ATOM 1497 CG TYR A 632 -3.950 6.428 14.903 1.00 0.00 C ATOM 1498 CD1 TYR A 632 -4.663 6.794 16.036 1.00 0.00 C ATOM 1499 CD2 TYR A 632 -3.275 7.419 14.202 1.00 0.00 C ATOM 1500 CE1 TYR A 632 -4.703 8.109 16.460 1.00 0.00 C ATOM 1501 CE2 TYR A 632 -3.309 8.736 14.619 1.00 0.00 C ATOM 1502 CZ TYR A 632 -4.024 9.076 15.748 1.00 0.00 C ATOM 1503 OH TYR A 632 -4.061 10.385 16.167 1.00 0.00 O ATOM 0 H TYR A 632 -3.680 2.581 14.037 1.00 0.00 H new ATOM 0 HA TYR A 632 -1.885 4.548 15.037 1.00 0.00 H new ATOM 0 HB2 TYR A 632 -3.684 4.964 13.378 1.00 0.00 H new ATOM 0 HB3 TYR A 632 -4.896 4.547 14.573 1.00 0.00 H new ATOM 0 HD1 TYR A 632 -5.195 6.039 16.596 1.00 0.00 H new ATOM 0 HD2 TYR A 632 -2.715 7.156 13.317 1.00 0.00 H new ATOM 0 HE1 TYR A 632 -5.263 8.378 17.344 1.00 0.00 H new ATOM 0 HE2 TYR A 632 -2.778 9.495 14.064 1.00 0.00 H new ATOM 0 HH TYR A 632 -3.531 10.939 15.557 1.00 0.00 H new ATOM 1513 N ASP A 633 -2.877 5.284 17.315 1.00 0.00 N ATOM 1514 CA ASP A 633 -3.112 5.451 18.743 1.00 0.00 C ATOM 1515 C ASP A 633 -3.145 6.931 19.112 1.00 0.00 C ATOM 1516 O ASP A 633 -2.211 7.674 18.812 1.00 0.00 O ATOM 1517 CB ASP A 633 -2.029 4.733 19.549 1.00 0.00 C ATOM 1518 CG ASP A 633 -2.591 3.613 20.400 1.00 0.00 C ATOM 1519 OD1 ASP A 633 -3.716 3.153 20.110 1.00 0.00 O ATOM 1520 OD2 ASP A 633 -1.907 3.194 21.357 1.00 0.00 O ATOM 0 H ASP A 633 -2.466 6.099 16.859 1.00 0.00 H new ATOM 0 HA ASP A 633 -4.080 5.011 18.984 1.00 0.00 H new ATOM 0 HB2 ASP A 633 -1.281 4.328 18.867 1.00 0.00 H new ATOM 0 HB3 ASP A 633 -1.520 5.453 20.190 1.00 0.00 H new ATOM 1525 N ILE A 634 -4.223 7.352 19.764 1.00 0.00 N ATOM 1526 CA ILE A 634 -4.367 8.748 20.172 1.00 0.00 C ATOM 1527 C ILE A 634 -3.766 8.979 21.553 1.00 0.00 C ATOM 1528 O ILE A 634 -4.006 8.209 22.483 1.00 0.00 O ATOM 1529 CB ILE A 634 -5.842 9.206 20.184 1.00 0.00 C ATOM 1530 CG1 ILE A 634 -6.785 8.012 20.340 1.00 0.00 C ATOM 1531 CG2 ILE A 634 -6.163 9.981 18.915 1.00 0.00 C ATOM 1532 CD1 ILE A 634 -7.015 7.251 19.052 1.00 0.00 C ATOM 0 H ILE A 634 -5.007 6.752 20.021 1.00 0.00 H new ATOM 0 HA ILE A 634 -3.828 9.339 19.432 1.00 0.00 H new ATOM 0 HB ILE A 634 -5.990 9.863 21.041 1.00 0.00 H new ATOM 0 HG12 ILE A 634 -6.376 7.331 21.087 1.00 0.00 H new ATOM 0 HG13 ILE A 634 -7.744 8.364 20.721 1.00 0.00 H new ATOM 0 HG21 ILE A 634 -7.206 10.298 18.936 1.00 0.00 H new ATOM 0 HG22 ILE A 634 -5.518 10.858 18.851 1.00 0.00 H new ATOM 0 HG23 ILE A 634 -5.995 9.343 18.047 1.00 0.00 H new ATOM 0 HD11 ILE A 634 -7.693 6.418 19.238 1.00 0.00 H new ATOM 0 HD12 ILE A 634 -7.453 7.917 18.309 1.00 0.00 H new ATOM 0 HD13 ILE A 634 -6.064 6.869 18.681 1.00 0.00 H new ATOM 1544 N GLY A 635 -2.981 10.043 21.677 1.00 0.00 N ATOM 1545 CA GLY A 635 -2.353 10.358 22.946 1.00 0.00 C ATOM 1546 C GLY A 635 -1.042 9.621 23.140 1.00 0.00 C ATOM 1547 O GLY A 635 -0.226 10.002 23.979 1.00 0.00 O ATOM 0 H GLY A 635 -2.768 10.693 20.921 1.00 0.00 H new ATOM 0 HA2 GLY A 635 -2.175 11.432 23.004 1.00 0.00 H new ATOM 0 HA3 GLY A 635 -3.034 10.103 23.758 1.00 0.00 H new ATOM 1551 N LYS A 636 -0.840 8.563 22.361 1.00 0.00 N ATOM 1552 CA LYS A 636 0.379 7.768 22.451 1.00 0.00 C ATOM 1553 C LYS A 636 0.965 7.518 21.065 1.00 0.00 C ATOM 1554 O LYS A 636 0.590 8.173 20.094 1.00 0.00 O ATOM 1555 CB LYS A 636 0.096 6.435 23.146 1.00 0.00 C ATOM 1556 CG LYS A 636 -1.021 6.505 24.175 1.00 0.00 C ATOM 1557 CD LYS A 636 -0.508 6.216 25.575 1.00 0.00 C ATOM 1558 CE LYS A 636 -1.648 6.120 26.576 1.00 0.00 C ATOM 1559 NZ LYS A 636 -2.255 7.451 26.855 1.00 0.00 N ATOM 0 H LYS A 636 -1.505 8.236 21.660 1.00 0.00 H new ATOM 0 HA LYS A 636 1.106 8.327 23.040 1.00 0.00 H new ATOM 0 HB2 LYS A 636 -0.163 5.691 22.393 1.00 0.00 H new ATOM 0 HB3 LYS A 636 1.007 6.090 23.635 1.00 0.00 H new ATOM 0 HG2 LYS A 636 -1.478 7.494 24.151 1.00 0.00 H new ATOM 0 HG3 LYS A 636 -1.800 5.788 23.917 1.00 0.00 H new ATOM 0 HD2 LYS A 636 0.055 5.283 25.572 1.00 0.00 H new ATOM 0 HD3 LYS A 636 0.181 7.003 25.881 1.00 0.00 H new ATOM 0 HE2 LYS A 636 -2.413 5.445 26.192 1.00 0.00 H new ATOM 0 HE3 LYS A 636 -1.279 5.687 27.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 636 -3.028 7.343 27.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 636 -1.531 8.088 27.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 636 -2.630 7.853 25.972 1.00 0.00 H new ATOM 1573 N SER A 637 1.887 6.563 20.981 1.00 0.00 N ATOM 1574 CA SER A 637 2.524 6.226 19.714 1.00 0.00 C ATOM 1575 C SER A 637 1.703 5.189 18.953 1.00 0.00 C ATOM 1576 O SER A 637 0.694 4.692 19.455 1.00 0.00 O ATOM 1577 CB SER A 637 3.938 5.696 19.956 1.00 0.00 C ATOM 1578 OG SER A 637 4.064 5.153 21.259 1.00 0.00 O ATOM 0 H SER A 637 2.209 6.010 21.775 1.00 0.00 H new ATOM 0 HA SER A 637 2.582 7.132 19.111 1.00 0.00 H new ATOM 0 HB2 SER A 637 4.175 4.932 19.216 1.00 0.00 H new ATOM 0 HB3 SER A 637 4.659 6.502 19.823 1.00 0.00 H new ATOM 0 HG SER A 637 4.977 4.820 21.388 1.00 0.00 H new ATOM 1584 N ASN A 638 2.142 4.866 17.742 1.00 0.00 N ATOM 1585 CA ASN A 638 1.447 3.886 16.913 1.00 0.00 C ATOM 1586 C ASN A 638 2.126 2.523 17.002 1.00 0.00 C ATOM 1587 O ASN A 638 3.089 2.346 17.748 1.00 0.00 O ATOM 1588 CB ASN A 638 1.406 4.356 15.458 1.00 0.00 C ATOM 1589 CG ASN A 638 2.787 4.639 14.902 1.00 0.00 C ATOM 1590 OD1 ASN A 638 3.306 5.748 15.035 1.00 0.00 O ATOM 1591 ND2 ASN A 638 3.391 3.637 14.275 1.00 0.00 N ATOM 0 H ASN A 638 2.975 5.268 17.312 1.00 0.00 H new ATOM 0 HA ASN A 638 0.427 3.789 17.284 1.00 0.00 H new ATOM 0 HB2 ASN A 638 0.921 3.595 14.847 1.00 0.00 H new ATOM 0 HB3 ASN A 638 0.797 5.258 15.387 1.00 0.00 H new ATOM 0 HD21 ASN A 638 4.322 3.770 13.880 1.00 0.00 H new ATOM 0 HD22 ASN A 638 2.924 2.734 14.188 1.00 0.00 H new ATOM 1598 N ASP A 639 1.617 1.563 16.237 1.00 0.00 N ATOM 1599 CA ASP A 639 2.175 0.215 16.231 1.00 0.00 C ATOM 1600 C ASP A 639 2.242 -0.339 14.813 1.00 0.00 C ATOM 1601 O ASP A 639 1.474 0.066 13.940 1.00 0.00 O ATOM 1602 CB ASP A 639 1.336 -0.712 17.110 1.00 0.00 C ATOM 1603 CG ASP A 639 1.344 -0.292 18.568 1.00 0.00 C ATOM 1604 OD1 ASP A 639 2.328 -0.603 19.270 1.00 0.00 O ATOM 1605 OD2 ASP A 639 0.365 0.349 19.006 1.00 0.00 O ATOM 0 H ASP A 639 0.820 1.693 15.614 1.00 0.00 H new ATOM 0 HA ASP A 639 3.187 0.268 16.632 1.00 0.00 H new ATOM 0 HB2 ASP A 639 0.309 -0.724 16.744 1.00 0.00 H new ATOM 0 HB3 ASP A 639 1.716 -1.730 17.026 1.00 0.00 H new ATOM 1610 N TYR A 640 3.162 -1.271 14.591 1.00 0.00 N ATOM 1611 CA TYR A 640 3.328 -1.884 13.281 1.00 0.00 C ATOM 1612 C TYR A 640 2.517 -3.170 13.176 1.00 0.00 C ATOM 1613 O TYR A 640 2.866 -4.186 13.775 1.00 0.00 O ATOM 1614 CB TYR A 640 4.804 -2.179 13.016 1.00 0.00 C ATOM 1615 CG TYR A 640 5.160 -2.227 11.547 1.00 0.00 C ATOM 1616 CD1 TYR A 640 4.169 -2.291 10.575 1.00 0.00 C ATOM 1617 CD2 TYR A 640 6.486 -2.211 11.133 1.00 0.00 C ATOM 1618 CE1 TYR A 640 4.489 -2.337 9.231 1.00 0.00 C ATOM 1619 CE2 TYR A 640 6.814 -2.256 9.791 1.00 0.00 C ATOM 1620 CZ TYR A 640 5.813 -2.320 8.845 1.00 0.00 C ATOM 1621 OH TYR A 640 6.136 -2.364 7.508 1.00 0.00 O ATOM 0 H TYR A 640 3.804 -1.618 15.303 1.00 0.00 H new ATOM 0 HA TYR A 640 2.964 -1.182 12.531 1.00 0.00 H new ATOM 0 HB2 TYR A 640 5.411 -1.416 13.503 1.00 0.00 H new ATOM 0 HB3 TYR A 640 5.063 -3.133 13.475 1.00 0.00 H new ATOM 0 HD1 TYR A 640 3.131 -2.305 10.875 1.00 0.00 H new ATOM 0 HD2 TYR A 640 7.273 -2.163 11.871 1.00 0.00 H new ATOM 0 HE1 TYR A 640 3.707 -2.386 8.488 1.00 0.00 H new ATOM 0 HE2 TYR A 640 7.850 -2.241 9.485 1.00 0.00 H new ATOM 0 HH TYR A 640 7.110 -2.343 7.406 1.00 0.00 H new ATOM 1631 N ILE A 641 1.433 -3.120 12.409 1.00 0.00 N ATOM 1632 CA ILE A 641 0.576 -4.283 12.226 1.00 0.00 C ATOM 1633 C ILE A 641 1.128 -5.202 11.142 1.00 0.00 C ATOM 1634 O ILE A 641 1.064 -6.425 11.261 1.00 0.00 O ATOM 1635 CB ILE A 641 -0.863 -3.869 11.860 1.00 0.00 C ATOM 1636 CG1 ILE A 641 -1.549 -3.223 13.065 1.00 0.00 C ATOM 1637 CG2 ILE A 641 -1.659 -5.072 11.375 1.00 0.00 C ATOM 1638 CD1 ILE A 641 -2.799 -2.449 12.709 1.00 0.00 C ATOM 0 H ILE A 641 1.128 -2.287 11.905 1.00 0.00 H new ATOM 0 HA ILE A 641 0.556 -4.819 13.175 1.00 0.00 H new ATOM 0 HB ILE A 641 -0.820 -3.140 11.051 1.00 0.00 H new ATOM 0 HG12 ILE A 641 -1.806 -4.000 13.785 1.00 0.00 H new ATOM 0 HG13 ILE A 641 -0.844 -2.552 13.557 1.00 0.00 H new ATOM 0 HG21 ILE A 641 -2.672 -4.760 11.121 1.00 0.00 H new ATOM 0 HG22 ILE A 641 -1.178 -5.495 10.493 1.00 0.00 H new ATOM 0 HG23 ILE A 641 -1.698 -5.824 12.163 1.00 0.00 H new ATOM 0 HD11 ILE A 641 -3.231 -2.019 13.613 1.00 0.00 H new ATOM 0 HD12 ILE A 641 -2.546 -1.650 12.012 1.00 0.00 H new ATOM 0 HD13 ILE A 641 -3.522 -3.119 12.245 1.00 0.00 H new ATOM 1650 N GLY A 642 1.674 -4.605 10.086 1.00 0.00 N ATOM 1651 CA GLY A 642 2.231 -5.390 9.003 1.00 0.00 C ATOM 1652 C GLY A 642 2.088 -4.707 7.657 1.00 0.00 C ATOM 1653 O GLY A 642 1.276 -3.795 7.500 1.00 0.00 O ATOM 0 H GLY A 642 1.740 -3.595 9.963 1.00 0.00 H new ATOM 0 HA2 GLY A 642 3.286 -5.579 9.201 1.00 0.00 H new ATOM 0 HA3 GLY A 642 1.735 -6.360 8.969 1.00 0.00 H new ATOM 1657 N GLY A 643 2.881 -5.146 6.687 1.00 0.00 N ATOM 1658 CA GLY A 643 2.827 -4.560 5.361 1.00 0.00 C ATOM 1659 C GLY A 643 3.447 -5.453 4.304 1.00 0.00 C ATOM 1660 O GLY A 643 3.781 -6.606 4.575 1.00 0.00 O ATOM 0 H GLY A 643 3.561 -5.898 6.795 1.00 0.00 H new ATOM 0 HA2 GLY A 643 1.788 -4.359 5.098 1.00 0.00 H new ATOM 0 HA3 GLY A 643 3.344 -3.601 5.370 1.00 0.00 H new ATOM 1664 N CYS A 644 3.599 -4.918 3.097 1.00 0.00 N ATOM 1665 CA CYS A 644 4.182 -5.671 1.994 1.00 0.00 C ATOM 1666 C CYS A 644 4.838 -4.734 0.985 1.00 0.00 C ATOM 1667 O CYS A 644 4.461 -3.568 0.871 1.00 0.00 O ATOM 1668 CB CYS A 644 3.108 -6.512 1.302 1.00 0.00 C ATOM 1669 SG CYS A 644 1.951 -5.552 0.299 1.00 0.00 S ATOM 0 H CYS A 644 3.326 -3.965 2.858 1.00 0.00 H new ATOM 0 HA CYS A 644 4.947 -6.333 2.400 1.00 0.00 H new ATOM 0 HB2 CYS A 644 3.595 -7.252 0.667 1.00 0.00 H new ATOM 0 HB3 CYS A 644 2.547 -7.060 2.059 1.00 0.00 H new ATOM 0 HG CYS A 644 2.293 -5.631 -0.953 1.00 0.00 H new ATOM 1675 N GLN A 645 5.820 -5.252 0.255 1.00 0.00 N ATOM 1676 CA GLN A 645 6.525 -4.460 -0.746 1.00 0.00 C ATOM 1677 C GLN A 645 6.099 -4.862 -2.153 1.00 0.00 C ATOM 1678 O GLN A 645 5.975 -6.046 -2.461 1.00 0.00 O ATOM 1679 CB GLN A 645 8.038 -4.631 -0.593 1.00 0.00 C ATOM 1680 CG GLN A 645 8.682 -3.574 0.289 1.00 0.00 C ATOM 1681 CD GLN A 645 9.885 -4.102 1.047 1.00 0.00 C ATOM 1682 OE1 GLN A 645 9.780 -4.484 2.213 1.00 0.00 O ATOM 1683 NE2 GLN A 645 11.037 -4.125 0.386 1.00 0.00 N ATOM 0 H GLN A 645 6.145 -6.215 0.338 1.00 0.00 H new ATOM 0 HA GLN A 645 6.268 -3.412 -0.590 1.00 0.00 H new ATOM 0 HB2 GLN A 645 8.244 -5.616 -0.175 1.00 0.00 H new ATOM 0 HB3 GLN A 645 8.501 -4.601 -1.580 1.00 0.00 H new ATOM 0 HG2 GLN A 645 8.988 -2.729 -0.327 1.00 0.00 H new ATOM 0 HG3 GLN A 645 7.945 -3.200 0.999 1.00 0.00 H new ATOM 0 HE21 GLN A 645 11.078 -3.799 -0.579 1.00 0.00 H new ATOM 0 HE22 GLN A 645 11.881 -4.469 0.844 1.00 0.00 H new ATOM 1692 N LEU A 646 5.872 -3.867 -3.004 1.00 0.00 N ATOM 1693 CA LEU A 646 5.458 -4.118 -4.378 1.00 0.00 C ATOM 1694 C LEU A 646 6.395 -3.429 -5.366 1.00 0.00 C ATOM 1695 O LEU A 646 6.211 -2.260 -5.703 1.00 0.00 O ATOM 1696 CB LEU A 646 4.022 -3.636 -4.595 1.00 0.00 C ATOM 1697 CG LEU A 646 2.937 -4.603 -4.114 1.00 0.00 C ATOM 1698 CD1 LEU A 646 1.573 -4.172 -4.630 1.00 0.00 C ATOM 1699 CD2 LEU A 646 3.254 -6.023 -4.559 1.00 0.00 C ATOM 0 H LEU A 646 5.968 -2.880 -2.766 1.00 0.00 H new ATOM 0 HA LEU A 646 5.504 -5.193 -4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 646 3.893 -2.683 -4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 646 3.874 -3.447 -5.658 1.00 0.00 H new ATOM 0 HG LEU A 646 2.914 -4.582 -3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 646 0.814 -4.871 -4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 646 1.344 -3.172 -4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 646 1.582 -4.164 -5.720 1.00 0.00 H new ATOM 0 HD21 LEU A 646 2.472 -6.697 -4.209 1.00 0.00 H new ATOM 0 HD22 LEU A 646 3.304 -6.061 -5.647 1.00 0.00 H new ATOM 0 HD23 LEU A 646 4.213 -6.330 -4.141 1.00 0.00 H new ATOM 1711 N GLY A 647 7.397 -4.167 -5.831 1.00 0.00 N ATOM 1712 CA GLY A 647 8.349 -3.623 -6.780 1.00 0.00 C ATOM 1713 C GLY A 647 8.692 -4.618 -7.866 1.00 0.00 C ATOM 1714 O GLY A 647 8.652 -5.827 -7.638 1.00 0.00 O ATOM 0 H GLY A 647 7.567 -5.137 -5.566 1.00 0.00 H new ATOM 0 HA2 GLY A 647 7.937 -2.720 -7.231 1.00 0.00 H new ATOM 0 HA3 GLY A 647 9.258 -3.330 -6.255 1.00 0.00 H new ATOM 1718 N ILE A 648 9.016 -4.119 -9.054 1.00 0.00 N ATOM 1719 CA ILE A 648 9.347 -4.982 -10.162 1.00 0.00 C ATOM 1720 C ILE A 648 10.635 -5.759 -9.896 1.00 0.00 C ATOM 1721 O ILE A 648 10.982 -6.682 -10.632 1.00 0.00 O ATOM 1722 CB ILE A 648 9.446 -4.171 -11.467 1.00 0.00 C ATOM 1723 CG1 ILE A 648 8.740 -4.904 -12.591 1.00 0.00 C ATOM 1724 CG2 ILE A 648 10.882 -3.857 -11.837 1.00 0.00 C ATOM 1725 CD1 ILE A 648 8.815 -4.189 -13.919 1.00 0.00 C ATOM 0 H ILE A 648 9.054 -3.122 -9.266 1.00 0.00 H new ATOM 0 HA ILE A 648 8.545 -5.711 -10.274 1.00 0.00 H new ATOM 0 HB ILE A 648 8.949 -3.215 -11.303 1.00 0.00 H new ATOM 0 HG12 ILE A 648 9.177 -5.897 -12.697 1.00 0.00 H new ATOM 0 HG13 ILE A 648 7.693 -5.044 -12.321 1.00 0.00 H new ATOM 0 HG21 ILE A 648 10.902 -3.284 -12.764 1.00 0.00 H new ATOM 0 HG22 ILE A 648 11.344 -3.274 -11.040 1.00 0.00 H new ATOM 0 HG23 ILE A 648 11.434 -4.787 -11.973 1.00 0.00 H new ATOM 0 HD11 ILE A 648 8.289 -4.771 -14.676 1.00 0.00 H new ATOM 0 HD12 ILE A 648 8.352 -3.206 -13.830 1.00 0.00 H new ATOM 0 HD13 ILE A 648 9.859 -4.073 -14.211 1.00 0.00 H new ATOM 1737 N SER A 649 11.330 -5.390 -8.826 1.00 0.00 N ATOM 1738 CA SER A 649 12.561 -6.068 -8.451 1.00 0.00 C ATOM 1739 C SER A 649 12.252 -7.198 -7.475 1.00 0.00 C ATOM 1740 O SER A 649 13.142 -7.723 -6.807 1.00 0.00 O ATOM 1741 CB SER A 649 13.546 -5.082 -7.821 1.00 0.00 C ATOM 1742 OG SER A 649 14.875 -5.571 -7.894 1.00 0.00 O ATOM 0 H SER A 649 11.061 -4.627 -8.205 1.00 0.00 H new ATOM 0 HA SER A 649 13.018 -6.486 -9.348 1.00 0.00 H new ATOM 0 HB2 SER A 649 13.480 -4.121 -8.332 1.00 0.00 H new ATOM 0 HB3 SER A 649 13.276 -4.909 -6.779 1.00 0.00 H new ATOM 0 HG SER A 649 14.905 -6.490 -7.554 1.00 0.00 H new ATOM 1748 N ALA A 650 10.972 -7.556 -7.397 1.00 0.00 N ATOM 1749 CA ALA A 650 10.517 -8.614 -6.506 1.00 0.00 C ATOM 1750 C ALA A 650 10.504 -9.965 -7.210 1.00 0.00 C ATOM 1751 O ALA A 650 10.984 -10.097 -8.337 1.00 0.00 O ATOM 1752 CB ALA A 650 9.127 -8.284 -5.985 1.00 0.00 C ATOM 0 H ALA A 650 10.229 -7.123 -7.946 1.00 0.00 H new ATOM 0 HA ALA A 650 11.214 -8.679 -5.670 1.00 0.00 H new ATOM 0 HB1 ALA A 650 8.790 -9.078 -5.319 1.00 0.00 H new ATOM 0 HB2 ALA A 650 9.157 -7.341 -5.439 1.00 0.00 H new ATOM 0 HB3 ALA A 650 8.436 -8.196 -6.823 1.00 0.00 H new ATOM 1802 N ARG A 654 4.496 -10.241 -5.991 1.00 0.00 N ATOM 1803 CA ARG A 654 4.806 -8.829 -5.813 1.00 0.00 C ATOM 1804 C ARG A 654 5.228 -8.199 -7.132 1.00 0.00 C ATOM 1805 O ARG A 654 5.050 -6.999 -7.347 1.00 0.00 O ATOM 1806 CB ARG A 654 5.917 -8.666 -4.776 1.00 0.00 C ATOM 1807 CG ARG A 654 5.822 -9.656 -3.628 1.00 0.00 C ATOM 1808 CD ARG A 654 5.916 -8.959 -2.290 1.00 0.00 C ATOM 1809 NE ARG A 654 6.513 -9.810 -1.266 1.00 0.00 N ATOM 1810 CZ ARG A 654 5.819 -10.664 -0.521 1.00 0.00 C ATOM 1811 NH1 ARG A 654 4.508 -10.779 -0.688 1.00 0.00 N ATOM 1812 NH2 ARG A 654 6.434 -11.403 0.392 1.00 0.00 N ATOM 0 HA ARG A 654 3.909 -8.320 -5.461 1.00 0.00 H new ATOM 0 HB2 ARG A 654 6.883 -8.783 -5.268 1.00 0.00 H new ATOM 0 HB3 ARG A 654 5.884 -7.653 -4.376 1.00 0.00 H new ATOM 0 HG2 ARG A 654 4.879 -10.200 -3.691 1.00 0.00 H new ATOM 0 HG3 ARG A 654 6.621 -10.392 -3.713 1.00 0.00 H new ATOM 0 HD2 ARG A 654 6.509 -8.051 -2.396 1.00 0.00 H new ATOM 0 HD3 ARG A 654 4.920 -8.654 -1.971 1.00 0.00 H new ATOM 0 HE ARG A 654 7.519 -9.746 -1.113 1.00 0.00 H new ATOM 0 HH11 ARG A 654 4.031 -10.212 -1.389 1.00 0.00 H new ATOM 0 HH12 ARG A 654 3.977 -11.435 -0.116 1.00 0.00 H new ATOM 0 HH21 ARG A 654 7.442 -11.317 0.524 1.00 0.00 H new ATOM 0 HH22 ARG A 654 5.899 -12.058 0.963 1.00 0.00 H new ATOM 1826 N LEU A 655 5.790 -9.018 -8.011 1.00 0.00 N ATOM 1827 CA LEU A 655 6.241 -8.543 -9.314 1.00 0.00 C ATOM 1828 C LEU A 655 5.104 -8.570 -10.329 1.00 0.00 C ATOM 1829 O LEU A 655 4.905 -7.613 -11.078 1.00 0.00 O ATOM 1830 CB LEU A 655 7.403 -9.399 -9.819 1.00 0.00 C ATOM 1831 CG LEU A 655 7.912 -9.031 -11.213 1.00 0.00 C ATOM 1832 CD1 LEU A 655 8.724 -7.747 -11.156 1.00 0.00 C ATOM 1833 CD2 LEU A 655 8.744 -10.165 -11.793 1.00 0.00 C ATOM 0 H LEU A 655 5.945 -10.013 -7.847 1.00 0.00 H new ATOM 0 HA LEU A 655 6.578 -7.513 -9.197 1.00 0.00 H new ATOM 0 HB2 LEU A 655 8.229 -9.318 -9.113 1.00 0.00 H new ATOM 0 HB3 LEU A 655 7.091 -10.443 -9.826 1.00 0.00 H new ATOM 0 HG LEU A 655 7.054 -8.869 -11.865 1.00 0.00 H new ATOM 0 HD11 LEU A 655 9.080 -7.497 -12.155 1.00 0.00 H new ATOM 0 HD12 LEU A 655 8.098 -6.937 -10.781 1.00 0.00 H new ATOM 0 HD13 LEU A 655 9.577 -7.885 -10.491 1.00 0.00 H new ATOM 0 HD21 LEU A 655 9.098 -9.886 -12.785 1.00 0.00 H new ATOM 0 HD22 LEU A 655 9.598 -10.358 -11.144 1.00 0.00 H new ATOM 0 HD23 LEU A 655 8.133 -11.064 -11.866 1.00 0.00 H new ATOM 1845 N LYS A 656 4.366 -9.675 -10.355 1.00 0.00 N ATOM 1846 CA LYS A 656 3.256 -9.825 -11.286 1.00 0.00 C ATOM 1847 C LYS A 656 2.239 -8.701 -11.115 1.00 0.00 C ATOM 1848 O LYS A 656 1.944 -7.973 -12.060 1.00 0.00 O ATOM 1849 CB LYS A 656 2.588 -11.195 -11.104 1.00 0.00 C ATOM 1850 CG LYS A 656 1.378 -11.188 -10.181 1.00 0.00 C ATOM 1851 CD LYS A 656 0.641 -12.517 -10.220 1.00 0.00 C ATOM 1852 CE LYS A 656 -0.350 -12.638 -9.074 1.00 0.00 C ATOM 1853 NZ LYS A 656 -1.760 -12.537 -9.545 1.00 0.00 N ATOM 0 H LYS A 656 4.517 -10.477 -9.743 1.00 0.00 H new ATOM 0 HA LYS A 656 3.652 -9.764 -12.300 1.00 0.00 H new ATOM 0 HB2 LYS A 656 2.282 -11.569 -12.081 1.00 0.00 H new ATOM 0 HB3 LYS A 656 3.325 -11.895 -10.711 1.00 0.00 H new ATOM 0 HG2 LYS A 656 1.698 -10.978 -9.161 1.00 0.00 H new ATOM 0 HG3 LYS A 656 0.700 -10.386 -10.474 1.00 0.00 H new ATOM 0 HD2 LYS A 656 0.115 -12.615 -11.169 1.00 0.00 H new ATOM 0 HD3 LYS A 656 1.360 -13.335 -10.169 1.00 0.00 H new ATOM 0 HE2 LYS A 656 -0.204 -13.592 -8.567 1.00 0.00 H new ATOM 0 HE3 LYS A 656 -0.155 -11.855 -8.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 656 -2.404 -12.624 -8.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 656 -1.907 -11.616 -10.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 656 -1.954 -13.300 -10.225 1.00 0.00 H new ATOM 1867 N HIS A 657 1.709 -8.559 -9.906 1.00 0.00 N ATOM 1868 CA HIS A 657 0.728 -7.519 -9.622 1.00 0.00 C ATOM 1869 C HIS A 657 1.297 -6.143 -9.942 1.00 0.00 C ATOM 1870 O HIS A 657 0.715 -5.378 -10.714 1.00 0.00 O ATOM 1871 CB HIS A 657 0.302 -7.584 -8.153 1.00 0.00 C ATOM 1872 CG HIS A 657 -0.628 -6.481 -7.746 1.00 0.00 C ATOM 1873 ND1 HIS A 657 -0.886 -6.165 -6.428 1.00 0.00 N ATOM 1874 CD2 HIS A 657 -1.361 -5.618 -8.489 1.00 0.00 C ATOM 1875 CE1 HIS A 657 -1.739 -5.156 -6.379 1.00 0.00 C ATOM 1876 NE2 HIS A 657 -2.041 -4.806 -7.615 1.00 0.00 N ATOM 0 H HIS A 657 1.942 -9.150 -9.108 1.00 0.00 H new ATOM 0 HA HIS A 657 -0.145 -7.687 -10.252 1.00 0.00 H new ATOM 0 HB2 HIS A 657 -0.182 -8.543 -7.966 1.00 0.00 H new ATOM 0 HB3 HIS A 657 1.191 -7.548 -7.524 1.00 0.00 H new ATOM 0 HD2 HIS A 657 -1.403 -5.576 -9.567 1.00 0.00 H new ATOM 0 HE1 HIS A 657 -2.123 -4.696 -5.480 1.00 0.00 H new ATOM 0 HE2 HIS A 657 -2.677 -4.054 -7.879 1.00 0.00 H new ATOM 1885 N TRP A 658 2.440 -5.840 -9.346 1.00 0.00 N ATOM 1886 CA TRP A 658 3.102 -4.560 -9.559 1.00 0.00 C ATOM 1887 C TRP A 658 3.485 -4.375 -11.025 1.00 0.00 C ATOM 1888 O TRP A 658 2.982 -3.481 -11.705 1.00 0.00 O ATOM 1889 CB TRP A 658 4.350 -4.465 -8.681 1.00 0.00 C ATOM 1890 CG TRP A 658 5.271 -3.353 -9.076 1.00 0.00 C ATOM 1891 CD1 TRP A 658 6.464 -3.469 -9.730 1.00 0.00 C ATOM 1892 CD2 TRP A 658 5.073 -1.956 -8.845 1.00 0.00 C ATOM 1893 NE1 TRP A 658 7.019 -2.226 -9.921 1.00 0.00 N ATOM 1894 CE2 TRP A 658 6.181 -1.281 -9.386 1.00 0.00 C ATOM 1895 CE3 TRP A 658 4.062 -1.210 -8.234 1.00 0.00 C ATOM 1896 CZ2 TRP A 658 6.305 0.105 -9.335 1.00 0.00 C ATOM 1897 CZ3 TRP A 658 4.187 0.165 -8.181 1.00 0.00 C ATOM 1898 CH2 TRP A 658 5.301 0.811 -8.731 1.00 0.00 C ATOM 0 H TRP A 658 2.931 -6.466 -8.708 1.00 0.00 H new ATOM 0 HA TRP A 658 2.404 -3.768 -9.286 1.00 0.00 H new ATOM 0 HB2 TRP A 658 4.046 -4.324 -7.644 1.00 0.00 H new ATOM 0 HB3 TRP A 658 4.892 -5.410 -8.729 1.00 0.00 H new ATOM 0 HD1 TRP A 658 6.907 -4.401 -10.050 1.00 0.00 H new ATOM 0 HE1 TRP A 658 7.908 -2.037 -10.384 1.00 0.00 H new ATOM 0 HE3 TRP A 658 3.198 -1.700 -7.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 658 7.164 0.605 -9.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 658 3.413 0.751 -7.708 1.00 0.00 H new ATOM 0 HH2 TRP A 658 5.369 1.888 -8.677 1.00 0.00 H new ATOM 1909 N TYR A 659 4.387 -5.224 -11.498 1.00 0.00 N ATOM 1910 CA TYR A 659 4.862 -5.167 -12.875 1.00 0.00 C ATOM 1911 C TYR A 659 3.706 -5.197 -13.876 1.00 0.00 C ATOM 1912 O TYR A 659 3.520 -4.247 -14.637 1.00 0.00 O ATOM 1913 CB TYR A 659 5.820 -6.333 -13.125 1.00 0.00 C ATOM 1914 CG TYR A 659 6.619 -6.257 -14.413 1.00 0.00 C ATOM 1915 CD1 TYR A 659 6.237 -5.437 -15.471 1.00 0.00 C ATOM 1916 CD2 TYR A 659 7.764 -7.030 -14.570 1.00 0.00 C ATOM 1917 CE1 TYR A 659 6.969 -5.390 -16.638 1.00 0.00 C ATOM 1918 CE2 TYR A 659 8.504 -6.985 -15.735 1.00 0.00 C ATOM 1919 CZ TYR A 659 8.103 -6.164 -16.767 1.00 0.00 C ATOM 1920 OH TYR A 659 8.835 -6.118 -17.931 1.00 0.00 O ATOM 0 H TYR A 659 4.809 -5.968 -10.942 1.00 0.00 H new ATOM 0 HA TYR A 659 5.386 -4.222 -13.021 1.00 0.00 H new ATOM 0 HB2 TYR A 659 6.517 -6.394 -12.289 1.00 0.00 H new ATOM 0 HB3 TYR A 659 5.245 -7.259 -13.129 1.00 0.00 H new ATOM 0 HD1 TYR A 659 5.351 -4.827 -15.376 1.00 0.00 H new ATOM 0 HD2 TYR A 659 8.081 -7.678 -13.766 1.00 0.00 H new ATOM 0 HE1 TYR A 659 6.655 -4.749 -17.449 1.00 0.00 H new ATOM 0 HE2 TYR A 659 9.393 -7.590 -15.837 1.00 0.00 H new ATOM 0 HH TYR A 659 9.603 -6.722 -17.858 1.00 0.00 H new ATOM 1930 N GLU A 660 2.935 -6.279 -13.890 1.00 0.00 N ATOM 1931 CA GLU A 660 1.825 -6.385 -14.827 1.00 0.00 C ATOM 1932 C GLU A 660 1.070 -5.066 -14.893 1.00 0.00 C ATOM 1933 O GLU A 660 0.513 -4.710 -15.931 1.00 0.00 O ATOM 1934 CB GLU A 660 0.886 -7.535 -14.448 1.00 0.00 C ATOM 1935 CG GLU A 660 -0.174 -7.161 -13.426 1.00 0.00 C ATOM 1936 CD GLU A 660 -1.580 -7.324 -13.968 1.00 0.00 C ATOM 1937 OE1 GLU A 660 -1.890 -6.712 -15.011 1.00 0.00 O ATOM 1938 OE2 GLU A 660 -2.373 -8.063 -13.346 1.00 0.00 O ATOM 0 H GLU A 660 3.056 -7.083 -13.273 1.00 0.00 H new ATOM 0 HA GLU A 660 2.230 -6.606 -15.815 1.00 0.00 H new ATOM 0 HB2 GLU A 660 0.393 -7.899 -15.349 1.00 0.00 H new ATOM 0 HB3 GLU A 660 1.480 -8.360 -14.054 1.00 0.00 H new ATOM 0 HG2 GLU A 660 -0.055 -7.783 -12.539 1.00 0.00 H new ATOM 0 HG3 GLU A 660 -0.025 -6.127 -13.113 1.00 0.00 H new ATOM 1945 N CYS A 661 1.081 -4.327 -13.787 1.00 0.00 N ATOM 1946 CA CYS A 661 0.419 -3.030 -13.744 1.00 0.00 C ATOM 1947 C CYS A 661 1.074 -2.097 -14.753 1.00 0.00 C ATOM 1948 O CYS A 661 0.397 -1.413 -15.520 1.00 0.00 O ATOM 1949 CB CYS A 661 0.495 -2.428 -12.340 1.00 0.00 C ATOM 1950 SG CYS A 661 -0.632 -1.040 -12.076 1.00 0.00 S ATOM 0 H CYS A 661 1.537 -4.602 -12.917 1.00 0.00 H new ATOM 0 HA CYS A 661 -0.633 -3.161 -13.998 1.00 0.00 H new ATOM 0 HB2 CYS A 661 0.275 -3.206 -11.609 1.00 0.00 H new ATOM 0 HB3 CYS A 661 1.516 -2.095 -12.153 1.00 0.00 H new ATOM 0 HG CYS A 661 -0.851 -0.437 -13.207 1.00 0.00 H new ATOM 1956 N LEU A 662 2.405 -2.100 -14.760 1.00 0.00 N ATOM 1957 CA LEU A 662 3.173 -1.283 -15.689 1.00 0.00 C ATOM 1958 C LEU A 662 2.752 -1.593 -17.118 1.00 0.00 C ATOM 1959 O LEU A 662 2.792 -0.731 -17.995 1.00 0.00 O ATOM 1960 CB LEU A 662 4.667 -1.552 -15.512 1.00 0.00 C ATOM 1961 CG LEU A 662 5.385 -0.594 -14.561 1.00 0.00 C ATOM 1962 CD1 LEU A 662 5.634 -1.254 -13.214 1.00 0.00 C ATOM 1963 CD2 LEU A 662 6.692 -0.126 -15.175 1.00 0.00 C ATOM 0 H LEU A 662 2.974 -2.663 -14.128 1.00 0.00 H new ATOM 0 HA LEU A 662 2.979 -0.231 -15.482 1.00 0.00 H new ATOM 0 HB2 LEU A 662 4.797 -2.570 -15.145 1.00 0.00 H new ATOM 0 HB3 LEU A 662 5.149 -1.501 -16.488 1.00 0.00 H new ATOM 0 HG LEU A 662 4.745 0.273 -14.399 1.00 0.00 H new ATOM 0 HD11 LEU A 662 6.146 -0.553 -12.555 1.00 0.00 H new ATOM 0 HD12 LEU A 662 4.682 -1.542 -12.769 1.00 0.00 H new ATOM 0 HD13 LEU A 662 6.253 -2.140 -13.352 1.00 0.00 H new ATOM 0 HD21 LEU A 662 7.193 0.556 -14.488 1.00 0.00 H new ATOM 0 HD22 LEU A 662 7.333 -0.987 -15.365 1.00 0.00 H new ATOM 0 HD23 LEU A 662 6.489 0.390 -16.114 1.00 0.00 H new ATOM 1975 N LYS A 663 2.332 -2.832 -17.334 1.00 0.00 N ATOM 1976 CA LYS A 663 1.881 -3.281 -18.634 1.00 0.00 C ATOM 1977 C LYS A 663 0.454 -2.820 -18.858 1.00 0.00 C ATOM 1978 O LYS A 663 0.110 -2.277 -19.908 1.00 0.00 O ATOM 1979 CB LYS A 663 1.948 -4.801 -18.679 1.00 0.00 C ATOM 1980 CG LYS A 663 3.091 -5.369 -17.866 1.00 0.00 C ATOM 1981 CD LYS A 663 3.249 -6.864 -18.089 1.00 0.00 C ATOM 1982 CE LYS A 663 3.595 -7.177 -19.535 1.00 0.00 C ATOM 1983 NZ LYS A 663 4.629 -8.244 -19.639 1.00 0.00 N ATOM 0 H LYS A 663 2.296 -3.550 -16.610 1.00 0.00 H new ATOM 0 HA LYS A 663 2.516 -2.864 -19.416 1.00 0.00 H new ATOM 0 HB2 LYS A 663 1.008 -5.211 -18.310 1.00 0.00 H new ATOM 0 HB3 LYS A 663 2.051 -5.124 -19.715 1.00 0.00 H new ATOM 0 HG2 LYS A 663 4.017 -4.861 -18.135 1.00 0.00 H new ATOM 0 HG3 LYS A 663 2.917 -5.175 -16.808 1.00 0.00 H new ATOM 0 HD2 LYS A 663 4.031 -7.250 -17.435 1.00 0.00 H new ATOM 0 HD3 LYS A 663 2.325 -7.373 -17.816 1.00 0.00 H new ATOM 0 HE2 LYS A 663 2.695 -7.490 -20.064 1.00 0.00 H new ATOM 0 HE3 LYS A 663 3.955 -6.273 -20.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 663 4.838 -8.429 -20.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 663 5.497 -7.935 -19.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 663 4.276 -9.114 -19.193 1.00 0.00 H new ATOM 1997 N ASN A 664 -0.364 -3.039 -17.841 1.00 0.00 N ATOM 1998 CA ASN A 664 -1.767 -2.649 -17.886 1.00 0.00 C ATOM 1999 C ASN A 664 -1.982 -1.326 -17.156 1.00 0.00 C ATOM 2000 O ASN A 664 -2.945 -1.169 -16.404 1.00 0.00 O ATOM 2001 CB ASN A 664 -2.638 -3.740 -17.260 1.00 0.00 C ATOM 2002 CG ASN A 664 -3.605 -4.351 -18.255 1.00 0.00 C ATOM 2003 OD1 ASN A 664 -3.797 -3.829 -19.354 1.00 0.00 O ATOM 2004 ND2 ASN A 664 -4.219 -5.465 -17.875 1.00 0.00 N ATOM 0 H ASN A 664 -0.080 -3.487 -16.970 1.00 0.00 H new ATOM 0 HA ASN A 664 -2.054 -2.520 -18.929 1.00 0.00 H new ATOM 0 HB2 ASN A 664 -1.998 -4.523 -16.852 1.00 0.00 H new ATOM 0 HB3 ASN A 664 -3.198 -3.319 -16.425 1.00 0.00 H new ATOM 0 HD21 ASN A 664 -4.880 -5.923 -18.503 1.00 0.00 H new ATOM 0 HD22 ASN A 664 -4.030 -5.863 -16.955 1.00 0.00 H new ATOM 2011 N LYS A 665 -1.074 -0.380 -17.378 1.00 0.00 N ATOM 2012 CA LYS A 665 -1.155 0.930 -16.737 1.00 0.00 C ATOM 2013 C LYS A 665 -2.588 1.462 -16.734 1.00 0.00 C ATOM 2014 O LYS A 665 -3.219 1.560 -15.682 1.00 0.00 O ATOM 2015 CB LYS A 665 -0.223 1.930 -17.434 1.00 0.00 C ATOM 2016 CG LYS A 665 -0.222 1.825 -18.952 1.00 0.00 C ATOM 2017 CD LYS A 665 1.115 2.246 -19.539 1.00 0.00 C ATOM 2018 CE LYS A 665 2.031 1.054 -19.751 1.00 0.00 C ATOM 2019 NZ LYS A 665 2.623 1.045 -21.116 1.00 0.00 N ATOM 0 H LYS A 665 -0.272 -0.496 -17.998 1.00 0.00 H new ATOM 0 HA LYS A 665 -0.836 0.810 -15.702 1.00 0.00 H new ATOM 0 HB2 LYS A 665 -0.516 2.941 -17.151 1.00 0.00 H new ATOM 0 HB3 LYS A 665 0.793 1.778 -17.069 1.00 0.00 H new ATOM 0 HG2 LYS A 665 -0.443 0.799 -19.247 1.00 0.00 H new ATOM 0 HG3 LYS A 665 -1.014 2.452 -19.362 1.00 0.00 H new ATOM 0 HD2 LYS A 665 0.952 2.754 -20.489 1.00 0.00 H new ATOM 0 HD3 LYS A 665 1.596 2.962 -18.873 1.00 0.00 H new ATOM 0 HE2 LYS A 665 2.829 1.073 -19.009 1.00 0.00 H new ATOM 0 HE3 LYS A 665 1.471 0.133 -19.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 665 3.242 0.216 -21.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 665 1.862 1.001 -21.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 665 3.179 1.912 -21.259 1.00 0.00 H new ATOM 2033 N ASP A 666 -3.094 1.807 -17.913 1.00 0.00 N ATOM 2034 CA ASP A 666 -4.449 2.332 -18.043 1.00 0.00 C ATOM 2035 C ASP A 666 -5.458 1.431 -17.337 1.00 0.00 C ATOM 2036 O ASP A 666 -6.558 1.865 -16.994 1.00 0.00 O ATOM 2037 CB ASP A 666 -4.823 2.473 -19.520 1.00 0.00 C ATOM 2038 CG ASP A 666 -5.519 3.786 -19.818 1.00 0.00 C ATOM 2039 OD1 ASP A 666 -6.724 3.903 -19.507 1.00 0.00 O ATOM 2040 OD2 ASP A 666 -4.861 4.697 -20.362 1.00 0.00 O ATOM 0 H ASP A 666 -2.585 1.732 -18.794 1.00 0.00 H new ATOM 0 HA ASP A 666 -4.475 3.314 -17.570 1.00 0.00 H new ATOM 0 HB2 ASP A 666 -3.922 2.396 -20.129 1.00 0.00 H new ATOM 0 HB3 ASP A 666 -5.473 1.647 -19.808 1.00 0.00 H new ATOM 2045 N LYS A 667 -5.077 0.178 -17.120 1.00 0.00 N ATOM 2046 CA LYS A 667 -5.950 -0.781 -16.455 1.00 0.00 C ATOM 2047 C LYS A 667 -5.655 -0.834 -14.959 1.00 0.00 C ATOM 2048 O LYS A 667 -4.495 -0.817 -14.544 1.00 0.00 O ATOM 2049 CB LYS A 667 -5.783 -2.170 -17.073 1.00 0.00 C ATOM 2050 CG LYS A 667 -6.242 -2.250 -18.520 1.00 0.00 C ATOM 2051 CD LYS A 667 -7.741 -2.484 -18.617 1.00 0.00 C ATOM 2052 CE LYS A 667 -8.066 -3.642 -19.547 1.00 0.00 C ATOM 2053 NZ LYS A 667 -7.139 -3.699 -20.711 1.00 0.00 N ATOM 0 H LYS A 667 -4.169 -0.198 -17.395 1.00 0.00 H new ATOM 0 HA LYS A 667 -6.981 -0.455 -16.592 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -4.734 -2.460 -17.017 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -6.346 -2.892 -16.481 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -5.983 -1.326 -19.037 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -5.713 -3.057 -19.026 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -8.143 -2.689 -17.625 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -8.229 -1.579 -18.978 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -8.010 -4.579 -18.993 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -9.091 -3.544 -19.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -7.624 -4.138 -21.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -6.843 -2.735 -20.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -6.302 -4.264 -20.461 1.00 0.00 H new ATOM 2067 N LYS A 668 -6.710 -0.892 -14.154 1.00 0.00 N ATOM 2068 CA LYS A 668 -6.563 -0.939 -12.705 1.00 0.00 C ATOM 2069 C LYS A 668 -6.374 -2.369 -12.209 1.00 0.00 C ATOM 2070 O LYS A 668 -7.121 -3.273 -12.583 1.00 0.00 O ATOM 2071 CB LYS A 668 -7.783 -0.310 -12.028 1.00 0.00 C ATOM 2072 CG LYS A 668 -9.062 -1.113 -12.206 1.00 0.00 C ATOM 2073 CD LYS A 668 -9.713 -1.427 -10.869 1.00 0.00 C ATOM 2074 CE LYS A 668 -9.168 -2.714 -10.273 1.00 0.00 C ATOM 2075 NZ LYS A 668 -10.210 -3.774 -10.193 1.00 0.00 N ATOM 0 H LYS A 668 -7.676 -0.908 -14.481 1.00 0.00 H new ATOM 0 HA LYS A 668 -5.671 -0.370 -12.444 1.00 0.00 H new ATOM 0 HB2 LYS A 668 -7.579 -0.199 -10.963 1.00 0.00 H new ATOM 0 HB3 LYS A 668 -7.934 0.692 -12.430 1.00 0.00 H new ATOM 0 HG2 LYS A 668 -9.760 -0.554 -12.829 1.00 0.00 H new ATOM 0 HG3 LYS A 668 -8.840 -2.042 -12.731 1.00 0.00 H new ATOM 0 HD2 LYS A 668 -9.541 -0.603 -10.177 1.00 0.00 H new ATOM 0 HD3 LYS A 668 -10.792 -1.513 -11.000 1.00 0.00 H new ATOM 0 HE2 LYS A 668 -8.334 -3.070 -10.878 1.00 0.00 H new ATOM 0 HE3 LYS A 668 -8.776 -2.515 -9.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 668 -9.798 -4.635 -9.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 668 -10.995 -3.445 -9.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 668 -10.567 -3.983 -11.147 1.00 0.00 H new ATOM 2089 N ILE A 669 -5.374 -2.559 -11.354 1.00 0.00 N ATOM 2090 CA ILE A 669 -5.081 -3.869 -10.787 1.00 0.00 C ATOM 2091 C ILE A 669 -5.355 -3.871 -9.288 1.00 0.00 C ATOM 2092 O ILE A 669 -5.222 -2.843 -8.630 1.00 0.00 O ATOM 2093 CB ILE A 669 -3.612 -4.270 -11.023 1.00 0.00 C ATOM 2094 CG1 ILE A 669 -3.124 -3.724 -12.375 1.00 0.00 C ATOM 2095 CG2 ILE A 669 -3.464 -5.786 -10.941 1.00 0.00 C ATOM 2096 CD1 ILE A 669 -2.382 -4.733 -13.228 1.00 0.00 C ATOM 0 H ILE A 669 -4.750 -1.817 -11.038 1.00 0.00 H new ATOM 0 HA ILE A 669 -5.728 -4.590 -11.286 1.00 0.00 H new ATOM 0 HB ILE A 669 -2.988 -3.832 -10.244 1.00 0.00 H new ATOM 0 HG12 ILE A 669 -3.983 -3.355 -12.935 1.00 0.00 H new ATOM 0 HG13 ILE A 669 -2.471 -2.870 -12.194 1.00 0.00 H new ATOM 0 HG21 ILE A 669 -2.422 -6.060 -11.109 1.00 0.00 H new ATOM 0 HG22 ILE A 669 -3.774 -6.129 -9.954 1.00 0.00 H new ATOM 0 HG23 ILE A 669 -4.089 -6.254 -11.701 1.00 0.00 H new ATOM 0 HD11 ILE A 669 -2.074 -4.263 -14.162 1.00 0.00 H new ATOM 0 HD12 ILE A 669 -1.501 -5.085 -12.692 1.00 0.00 H new ATOM 0 HD13 ILE A 669 -3.036 -5.577 -13.445 1.00 0.00 H new ATOM 2108 N GLU A 670 -5.739 -5.024 -8.750 1.00 0.00 N ATOM 2109 CA GLU A 670 -6.025 -5.133 -7.324 1.00 0.00 C ATOM 2110 C GLU A 670 -5.775 -6.547 -6.818 1.00 0.00 C ATOM 2111 O GLU A 670 -5.942 -7.522 -7.551 1.00 0.00 O ATOM 2112 CB GLU A 670 -7.468 -4.711 -7.035 1.00 0.00 C ATOM 2113 CG GLU A 670 -8.466 -5.859 -7.051 1.00 0.00 C ATOM 2114 CD GLU A 670 -8.300 -6.762 -8.257 1.00 0.00 C ATOM 2115 OE1 GLU A 670 -7.745 -6.298 -9.275 1.00 0.00 O ATOM 2116 OE2 GLU A 670 -8.728 -7.934 -8.185 1.00 0.00 O ATOM 0 H GLU A 670 -5.859 -5.890 -9.275 1.00 0.00 H new ATOM 0 HA GLU A 670 -5.349 -4.462 -6.794 1.00 0.00 H new ATOM 0 HB2 GLU A 670 -7.505 -4.225 -6.060 1.00 0.00 H new ATOM 0 HB3 GLU A 670 -7.773 -3.969 -7.773 1.00 0.00 H new ATOM 0 HG2 GLU A 670 -8.350 -6.449 -6.142 1.00 0.00 H new ATOM 0 HG3 GLU A 670 -9.478 -5.455 -7.041 1.00 0.00 H new ATOM 2123 N ARG A 671 -5.374 -6.650 -5.556 1.00 0.00 N ATOM 2124 CA ARG A 671 -5.098 -7.944 -4.946 1.00 0.00 C ATOM 2125 C ARG A 671 -4.880 -7.801 -3.442 1.00 0.00 C ATOM 2126 O ARG A 671 -4.701 -6.694 -2.934 1.00 0.00 O ATOM 2127 CB ARG A 671 -3.874 -8.587 -5.603 1.00 0.00 C ATOM 2128 CG ARG A 671 -2.558 -8.220 -4.938 1.00 0.00 C ATOM 2129 CD ARG A 671 -2.060 -9.342 -4.044 1.00 0.00 C ATOM 2130 NE ARG A 671 -1.560 -10.477 -4.816 1.00 0.00 N ATOM 2131 CZ ARG A 671 -1.566 -11.730 -4.374 1.00 0.00 C ATOM 2132 NH1 ARG A 671 -2.038 -12.007 -3.165 1.00 0.00 N ATOM 2133 NH2 ARG A 671 -1.098 -12.707 -5.139 1.00 0.00 N ATOM 0 H ARG A 671 -5.233 -5.853 -4.936 1.00 0.00 H new ATOM 0 HA ARG A 671 -5.962 -8.589 -5.104 1.00 0.00 H new ATOM 0 HB2 ARG A 671 -3.990 -9.671 -5.584 1.00 0.00 H new ATOM 0 HB3 ARG A 671 -3.837 -8.289 -6.651 1.00 0.00 H new ATOM 0 HG2 ARG A 671 -1.811 -8.001 -5.701 1.00 0.00 H new ATOM 0 HG3 ARG A 671 -2.687 -7.312 -4.348 1.00 0.00 H new ATOM 0 HD2 ARG A 671 -1.267 -8.966 -3.398 1.00 0.00 H new ATOM 0 HD3 ARG A 671 -2.870 -9.674 -3.394 1.00 0.00 H new ATOM 0 HE ARG A 671 -1.185 -10.297 -5.747 1.00 0.00 H new ATOM 0 HH11 ARG A 671 -2.397 -11.257 -2.574 1.00 0.00 H new ATOM 0 HH12 ARG A 671 -2.042 -12.969 -2.827 1.00 0.00 H new ATOM 0 HH21 ARG A 671 -0.733 -12.497 -6.068 1.00 0.00 H new ATOM 0 HH22 ARG A 671 -1.103 -13.668 -4.798 1.00 0.00 H new ATOM 2147 N TRP A 672 -4.900 -8.926 -2.734 1.00 0.00 N ATOM 2148 CA TRP A 672 -4.709 -8.921 -1.288 1.00 0.00 C ATOM 2149 C TRP A 672 -3.275 -9.279 -0.922 1.00 0.00 C ATOM 2150 O TRP A 672 -2.723 -10.264 -1.411 1.00 0.00 O ATOM 2151 CB TRP A 672 -5.678 -9.896 -0.620 1.00 0.00 C ATOM 2152 CG TRP A 672 -7.092 -9.410 -0.622 1.00 0.00 C ATOM 2153 CD1 TRP A 672 -8.048 -9.670 -1.560 1.00 0.00 C ATOM 2154 CD2 TRP A 672 -7.711 -8.570 0.361 1.00 0.00 C ATOM 2155 NE1 TRP A 672 -9.222 -9.044 -1.224 1.00 0.00 N ATOM 2156 CE2 TRP A 672 -9.040 -8.361 -0.050 1.00 0.00 C ATOM 2157 CE3 TRP A 672 -7.269 -7.975 1.547 1.00 0.00 C ATOM 2158 CZ2 TRP A 672 -9.931 -7.583 0.683 1.00 0.00 C ATOM 2159 CZ3 TRP A 672 -8.155 -7.203 2.274 1.00 0.00 C ATOM 2160 CH2 TRP A 672 -9.473 -7.013 1.840 1.00 0.00 C ATOM 0 H TRP A 672 -5.046 -9.851 -3.137 1.00 0.00 H new ATOM 0 HA TRP A 672 -4.912 -7.913 -0.927 1.00 0.00 H new ATOM 0 HB2 TRP A 672 -5.629 -10.856 -1.133 1.00 0.00 H new ATOM 0 HB3 TRP A 672 -5.360 -10.068 0.408 1.00 0.00 H new ATOM 0 HD1 TRP A 672 -7.902 -10.280 -2.439 1.00 0.00 H new ATOM 0 HE1 TRP A 672 -10.089 -9.081 -1.761 1.00 0.00 H new ATOM 0 HE3 TRP A 672 -6.254 -8.116 1.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 672 -10.948 -7.434 0.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 672 -7.826 -6.739 3.192 1.00 0.00 H new ATOM 0 HH2 TRP A 672 -10.142 -6.404 2.430 1.00 0.00 H new ATOM 2171 N HIS A 673 -2.677 -8.471 -0.053 1.00 0.00 N ATOM 2172 CA HIS A 673 -1.308 -8.699 0.386 1.00 0.00 C ATOM 2173 C HIS A 673 -1.272 -9.142 1.843 1.00 0.00 C ATOM 2174 O HIS A 673 -1.895 -8.523 2.705 1.00 0.00 O ATOM 2175 CB HIS A 673 -0.474 -7.428 0.212 1.00 0.00 C ATOM 2176 CG HIS A 673 -0.124 -7.131 -1.213 1.00 0.00 C ATOM 2177 ND1 HIS A 673 0.645 -7.957 -2.003 1.00 0.00 N ATOM 2178 CD2 HIS A 673 -0.456 -6.071 -1.993 1.00 0.00 C ATOM 2179 CE1 HIS A 673 0.755 -7.386 -3.210 1.00 0.00 C ATOM 2180 NE2 HIS A 673 0.105 -6.238 -3.255 1.00 0.00 N ATOM 0 H HIS A 673 -3.121 -7.651 0.361 1.00 0.00 H new ATOM 0 HA HIS A 673 -0.885 -9.492 -0.230 1.00 0.00 H new ATOM 0 HB2 HIS A 673 -1.024 -6.583 0.626 1.00 0.00 H new ATOM 0 HB3 HIS A 673 0.445 -7.524 0.791 1.00 0.00 H new ATOM 0 HD1 HIS A 673 1.057 -8.846 -1.719 1.00 0.00 H new ATOM 0 HD2 HIS A 673 -1.060 -5.231 -1.683 1.00 0.00 H new ATOM 0 HE1 HIS A 673 1.304 -7.810 -4.038 1.00 0.00 H new ATOM 2188 N GLN A 674 -0.532 -10.211 2.113 1.00 0.00 N ATOM 2189 CA GLN A 674 -0.413 -10.726 3.471 1.00 0.00 C ATOM 2190 C GLN A 674 0.554 -9.870 4.278 1.00 0.00 C ATOM 2191 O GLN A 674 1.771 -9.970 4.121 1.00 0.00 O ATOM 2192 CB GLN A 674 0.060 -12.179 3.456 1.00 0.00 C ATOM 2193 CG GLN A 674 1.430 -12.368 2.827 1.00 0.00 C ATOM 2194 CD GLN A 674 1.402 -13.312 1.641 1.00 0.00 C ATOM 2195 OE1 GLN A 674 1.051 -12.919 0.529 1.00 0.00 O ATOM 2196 NE2 GLN A 674 1.772 -14.566 1.874 1.00 0.00 N ATOM 0 H GLN A 674 -0.008 -10.736 1.413 1.00 0.00 H new ATOM 0 HA GLN A 674 -1.396 -10.686 3.940 1.00 0.00 H new ATOM 0 HB2 GLN A 674 0.085 -12.555 4.479 1.00 0.00 H new ATOM 0 HB3 GLN A 674 -0.666 -12.783 2.912 1.00 0.00 H new ATOM 0 HG2 GLN A 674 1.815 -11.400 2.507 1.00 0.00 H new ATOM 0 HG3 GLN A 674 2.120 -12.754 3.577 1.00 0.00 H new ATOM 0 HE21 GLN A 674 2.056 -14.848 2.812 1.00 0.00 H new ATOM 0 HE22 GLN A 674 1.773 -15.247 1.115 1.00 0.00 H new ATOM 2205 N LEU A 675 0.001 -9.022 5.135 1.00 0.00 N ATOM 2206 CA LEU A 675 0.808 -8.135 5.962 1.00 0.00 C ATOM 2207 C LEU A 675 1.942 -8.891 6.644 1.00 0.00 C ATOM 2208 O LEU A 675 1.730 -9.937 7.257 1.00 0.00 O ATOM 2209 CB LEU A 675 -0.065 -7.449 7.010 1.00 0.00 C ATOM 2210 CG LEU A 675 -1.173 -6.563 6.442 1.00 0.00 C ATOM 2211 CD1 LEU A 675 -2.097 -6.092 7.553 1.00 0.00 C ATOM 2212 CD2 LEU A 675 -0.574 -5.376 5.704 1.00 0.00 C ATOM 0 H LEU A 675 -1.005 -8.930 5.276 1.00 0.00 H new ATOM 0 HA LEU A 675 1.247 -7.380 5.310 1.00 0.00 H new ATOM 0 HB2 LEU A 675 -0.518 -8.213 7.641 1.00 0.00 H new ATOM 0 HB3 LEU A 675 0.573 -6.842 7.652 1.00 0.00 H new ATOM 0 HG LEU A 675 -1.759 -7.149 5.734 1.00 0.00 H new ATOM 0 HD11 LEU A 675 -2.881 -5.462 7.132 1.00 0.00 H new ATOM 0 HD12 LEU A 675 -2.549 -6.956 8.041 1.00 0.00 H new ATOM 0 HD13 LEU A 675 -1.525 -5.520 8.284 1.00 0.00 H new ATOM 0 HD21 LEU A 675 -1.375 -4.754 5.305 1.00 0.00 H new ATOM 0 HD22 LEU A 675 0.033 -4.788 6.392 1.00 0.00 H new ATOM 0 HD23 LEU A 675 0.050 -5.734 4.885 1.00 0.00 H new ATOM 2224 N GLN A 676 3.148 -8.346 6.531 1.00 0.00 N ATOM 2225 CA GLN A 676 4.326 -8.955 7.136 1.00 0.00 C ATOM 2226 C GLN A 676 5.038 -7.965 8.053 1.00 0.00 C ATOM 2227 O GLN A 676 4.767 -6.765 8.015 1.00 0.00 O ATOM 2228 CB GLN A 676 5.287 -9.440 6.049 1.00 0.00 C ATOM 2229 CG GLN A 676 4.802 -10.680 5.316 1.00 0.00 C ATOM 2230 CD GLN A 676 5.819 -11.804 5.336 1.00 0.00 C ATOM 2231 OE1 GLN A 676 5.979 -12.495 6.342 1.00 0.00 O ATOM 2232 NE2 GLN A 676 6.515 -11.992 4.220 1.00 0.00 N ATOM 0 H GLN A 676 3.336 -7.481 6.024 1.00 0.00 H new ATOM 0 HA GLN A 676 4.000 -9.807 7.732 1.00 0.00 H new ATOM 0 HB2 GLN A 676 5.440 -8.638 5.327 1.00 0.00 H new ATOM 0 HB3 GLN A 676 6.256 -9.651 6.501 1.00 0.00 H new ATOM 0 HG2 GLN A 676 3.874 -11.027 5.771 1.00 0.00 H new ATOM 0 HG3 GLN A 676 4.573 -10.420 4.282 1.00 0.00 H new ATOM 0 HE21 GLN A 676 6.350 -11.395 3.409 1.00 0.00 H new ATOM 0 HE22 GLN A 676 7.215 -12.733 4.174 1.00 0.00 H new ATOM 2241 N ASN A 677 5.951 -8.475 8.874 1.00 0.00 N ATOM 2242 CA ASN A 677 6.703 -7.633 9.798 1.00 0.00 C ATOM 2243 C ASN A 677 8.106 -7.362 9.264 1.00 0.00 C ATOM 2244 O ASN A 677 8.869 -8.291 9.002 1.00 0.00 O ATOM 2245 CB ASN A 677 6.788 -8.299 11.173 1.00 0.00 C ATOM 2246 CG ASN A 677 5.787 -7.728 12.158 1.00 0.00 C ATOM 2247 OD1 ASN A 677 5.096 -8.468 12.858 1.00 0.00 O ATOM 2248 ND2 ASN A 677 5.705 -6.403 12.217 1.00 0.00 N ATOM 0 H ASN A 677 6.188 -9.466 8.918 1.00 0.00 H new ATOM 0 HA ASN A 677 6.179 -6.682 9.895 1.00 0.00 H new ATOM 0 HB2 ASN A 677 6.616 -9.370 11.065 1.00 0.00 H new ATOM 0 HB3 ASN A 677 7.795 -8.176 11.571 1.00 0.00 H new ATOM 0 HD21 ASN A 677 5.050 -5.961 12.861 1.00 0.00 H new ATOM 0 HD22 ASN A 677 6.297 -5.828 11.618 1.00 0.00 H new