USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 0 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 121 LYS NZ :NH3+ -117:sc= 0.00487 (180deg=-0.644) USER MOD Set 1.2: A 122 LYS NZ :NH3+ -124:sc= 0.217 (180deg=0) USER MOD Set 2.1: A 72 SER OG : rot -100:sc= 0.206 USER MOD Set 2.2: A 87 LYS NZ :NH3+ -169:sc= 0.174 (180deg=0) USER MOD Set 3.1: A 7 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 8 MET CE :methyl -117:sc= -6.95! (180deg=-14.3!) USER MOD Set 4.2: A 73 TYR OH : rot -79:sc= -1.59 USER MOD Set 5.1: A 60 SER OG : rot -64:sc= 0.0308 USER MOD Set 5.2: A 89 ASN : amide:sc= -0.179 K(o=-0.15,f=-2) USER MOD Set 6.1: A 1 ALA N :NH3+ 148:sc= -1.05 (180deg=-1.3) USER MOD Set 6.2: A 52 TYR OH : rot 67:sc= 0.539 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.911 X(o=-0.91,f=-0.45) USER MOD Single : A 20 MET CE :methyl -143:sc= -0.842 (180deg=-2.4) USER MOD Single : A 23 ASN : amide:sc= -0.0116 K(o=-0.012,f=-0.82) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 25 TYR OH : rot 132:sc= 0.32 USER MOD Single : A 28 TYR OH : rot 150:sc= -0.139 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HE2:sc= -0.848 K(o=-0.85,f=-1.9!) USER MOD Single : A 50 ASN : amide:sc= -0.0646 K(o=-0.065,f=-0.96) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0.126 X(o=0.13,f=-0.065) USER MOD Single : A 69 TYR OH : rot 130:sc= -0.157 USER MOD Single : A 70 THR OG1 : rot 46:sc= 0.025 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= -0.0234 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 80 THR OG1 : rot 62:sc= 0.789 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.65 K(o=-0.65,f=-1.3!) USER MOD Single : A 86 SER OG : rot -1:sc= 0.208 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 101 ASN :FLIP amide:sc= 0.546 F(o=0,f=0.55) USER MOD Single : A 107 SER OG : rot 105:sc= 1.24 USER MOD Single : A 108 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.22) USER MOD Single : A 111 TYR OH : rot 34:sc= 0.697 USER MOD Single : A 112 ASN : amide:sc= -0.165 X(o=-0.16,f=-0.16) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 HIS : no HE2:sc= -3.22 K(o=-3.2,f=-4.1) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 THR OG1 : rot -49:sc= 0.702 USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.246 1.835 3.680 1.00 0.00 N ATOM 2 CA ALA A 1 -7.563 2.840 4.515 1.00 0.00 C ATOM 3 C ALA A 1 -6.077 2.516 4.650 1.00 0.00 C ATOM 4 O ALA A 1 -5.701 1.366 4.872 1.00 0.00 O ATOM 5 CB ALA A 1 -8.122 2.875 5.937 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.226 1.720 4.008 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.247 2.150 2.689 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.747 0.925 3.754 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.721 3.797 4.018 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.591 3.629 6.518 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.183 3.123 5.905 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.991 1.899 6.403 1.00 0.00 H new ATOM 6 N LEU A 2 -5.244 3.544 4.542 1.00 0.00 N ATOM 7 CA LEU A 2 -3.783 3.403 4.610 1.00 0.00 C ATOM 8 C LEU A 2 -3.167 3.667 5.994 1.00 0.00 C ATOM 9 O LEU A 2 -2.224 2.971 6.334 1.00 0.00 O ATOM 10 CB LEU A 2 -3.254 4.354 3.535 1.00 0.00 C ATOM 11 CG LEU A 2 -1.721 4.370 3.396 1.00 0.00 C ATOM 12 CD1 LEU A 2 -1.218 4.006 2.002 1.00 0.00 C ATOM 13 CD2 LEU A 2 -1.173 5.695 3.893 1.00 0.00 C ATOM 0 H LEU A 2 -5.558 4.505 4.404 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.494 2.367 4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.690 4.076 2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -3.596 5.364 3.761 1.00 0.00 H new ATOM 0 HG LEU A 2 -1.331 3.573 4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -0.129 4.041 1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -1.553 3.001 1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -1.613 4.716 1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.088 5.701 3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -1.596 6.508 3.303 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -1.441 5.829 4.941 1.00 0.00 H new ATOM 14 N TRP A 3 -3.589 4.680 6.766 1.00 0.00 N ATOM 15 CA TRP A 3 -3.169 4.814 8.200 1.00 0.00 C ATOM 16 C TRP A 3 -3.553 3.572 9.056 1.00 0.00 C ATOM 17 O TRP A 3 -2.754 3.121 9.881 1.00 0.00 O ATOM 18 CB TRP A 3 -3.707 6.119 8.846 1.00 0.00 C ATOM 19 CG TRP A 3 -5.273 6.221 9.014 1.00 0.00 C ATOM 20 CD1 TRP A 3 -6.032 5.726 10.108 1.00 0.00 C ATOM 21 CD2 TRP A 3 -6.229 6.485 8.031 1.00 0.00 C ATOM 22 NE1 TRP A 3 -7.408 5.691 9.840 1.00 0.00 N ATOM 23 CE2 TRP A 3 -7.506 6.120 8.537 1.00 0.00 C ATOM 24 CE3 TRP A 3 -6.067 6.763 6.647 1.00 0.00 C ATOM 25 CZ2 TRP A 3 -8.608 5.992 7.643 1.00 0.00 C ATOM 26 CZ3 TRP A 3 -7.162 6.664 5.801 1.00 0.00 C ATOM 27 CH2 TRP A 3 -8.425 6.288 6.295 1.00 0.00 C ATOM 0 H TRP A 3 -4.214 5.418 6.442 1.00 0.00 H new ATOM 0 HA TRP A 3 -2.081 4.872 8.187 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -3.249 6.228 9.829 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -3.372 6.963 8.243 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -5.596 5.411 11.045 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -8.162 5.412 10.467 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -5.101 7.049 6.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -9.573 5.670 8.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -7.044 6.878 4.749 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -9.265 6.228 5.618 1.00 0.00 H new ATOM 28 N GLN A 4 -4.762 3.031 8.803 1.00 0.00 N ATOM 29 CA GLN A 4 -5.178 1.739 9.335 1.00 0.00 C ATOM 30 C GLN A 4 -4.434 0.543 8.679 1.00 0.00 C ATOM 31 O GLN A 4 -4.257 -0.429 9.416 1.00 0.00 O ATOM 32 CB GLN A 4 -6.710 1.581 9.314 1.00 0.00 C ATOM 33 CG GLN A 4 -7.394 2.033 10.621 1.00 0.00 C ATOM 34 CD GLN A 4 -8.913 1.870 10.566 1.00 0.00 C ATOM 35 OE1 GLN A 4 -9.598 2.509 9.767 1.00 0.00 O ATOM 36 NE2 GLN A 4 -9.476 1.026 11.414 1.00 0.00 N ATOM 0 H GLN A 4 -5.469 3.485 8.224 1.00 0.00 H new ATOM 0 HA GLN A 4 -4.877 1.721 10.382 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -7.115 2.158 8.483 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -6.957 0.536 9.127 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -6.998 1.453 11.455 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.149 3.077 10.814 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -8.898 0.502 12.071 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -10.488 0.899 11.411 1.00 0.00 H new ATOM 37 N PHE A 5 -3.977 0.578 7.377 1.00 0.00 N ATOM 38 CA PHE A 5 -3.082 -0.499 6.845 1.00 0.00 C ATOM 39 C PHE A 5 -1.665 -0.449 7.431 1.00 0.00 C ATOM 40 O PHE A 5 -1.140 -1.479 7.834 1.00 0.00 O ATOM 41 CB PHE A 5 -3.238 -0.836 5.362 1.00 0.00 C ATOM 42 CG PHE A 5 -2.109 -0.753 4.362 1.00 0.00 C ATOM 43 CD1 PHE A 5 -1.593 0.485 4.059 1.00 0.00 C ATOM 44 CD2 PHE A 5 -1.610 -1.871 3.677 1.00 0.00 C ATOM 45 CE1 PHE A 5 -0.614 0.631 3.092 1.00 0.00 C ATOM 46 CE2 PHE A 5 -0.642 -1.719 2.680 1.00 0.00 C ATOM 47 CZ PHE A 5 -0.142 -0.461 2.391 1.00 0.00 C ATOM 0 H PHE A 5 -4.206 1.312 6.707 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.475 -1.430 7.253 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.611 -1.859 5.318 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.031 -0.191 4.983 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -1.957 1.356 4.583 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.977 -2.857 3.922 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.214 1.612 2.883 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.285 -2.581 2.136 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.609 -0.335 1.625 1.00 0.00 H new ATOM 48 N ARG A 6 -1.092 0.754 7.502 1.00 0.00 N ATOM 49 CA ARG A 6 0.199 1.068 8.133 1.00 0.00 C ATOM 50 C ARG A 6 0.466 0.470 9.521 1.00 0.00 C ATOM 51 O ARG A 6 1.542 -0.074 9.718 1.00 0.00 O ATOM 52 CB ARG A 6 0.371 2.584 8.150 1.00 0.00 C ATOM 53 CG ARG A 6 0.939 3.266 6.899 1.00 0.00 C ATOM 54 CD ARG A 6 0.895 2.643 5.494 1.00 0.00 C ATOM 55 NE ARG A 6 2.051 1.813 5.059 1.00 0.00 N ATOM 56 CZ ARG A 6 2.548 1.703 3.788 1.00 0.00 C ATOM 57 NH1 ARG A 6 2.115 2.381 2.732 1.00 0.00 N ATOM 58 NH2 ARG A 6 3.546 0.878 3.555 1.00 0.00 N ATOM 0 H ARG A 6 -1.536 1.580 7.101 1.00 0.00 H new ATOM 0 HA ARG A 6 0.949 0.573 7.516 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -0.603 3.027 8.356 1.00 0.00 H new ATOM 0 HB3 ARG A 6 1.020 2.836 8.989 1.00 0.00 H new ATOM 0 HG2 ARG A 6 0.437 4.231 6.822 1.00 0.00 H new ATOM 0 HG3 ARG A 6 1.989 3.469 7.111 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.001 2.026 5.431 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.776 3.453 4.774 1.00 0.00 H new ATOM 0 HE ARG A 6 2.522 1.270 5.783 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.351 3.049 2.833 1.00 0.00 H new ATOM 0 HH12 ARG A 6 2.547 2.234 1.820 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.942 0.328 4.317 1.00 0.00 H new ATOM 0 HH22 ARG A 6 3.924 0.788 2.612 1.00 0.00 H new ATOM 59 N SER A 7 -0.532 0.515 10.415 1.00 0.00 N ATOM 60 CA SER A 7 -0.456 -0.187 11.758 1.00 0.00 C ATOM 61 C SER A 7 0.060 -1.664 11.788 1.00 0.00 C ATOM 62 O SER A 7 0.855 -2.098 12.624 1.00 0.00 O ATOM 63 CB SER A 7 -1.796 -0.047 12.509 1.00 0.00 C ATOM 64 OG SER A 7 -2.118 1.320 12.751 1.00 0.00 O ATOM 0 H SER A 7 -1.405 1.019 10.259 1.00 0.00 H new ATOM 0 HA SER A 7 0.345 0.344 12.273 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.591 -0.512 11.926 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.741 -0.582 13.457 1.00 0.00 H new ATOM 0 HG SER A 7 -2.973 1.375 13.227 1.00 0.00 H new ATOM 65 N MET A 8 -0.429 -2.338 10.792 1.00 0.00 N ATOM 66 CA MET A 8 -0.203 -3.738 10.442 1.00 0.00 C ATOM 67 C MET A 8 0.933 -3.980 9.433 1.00 0.00 C ATOM 68 O MET A 8 1.387 -5.106 9.310 1.00 0.00 O ATOM 69 CB MET A 8 -1.548 -4.060 9.789 1.00 0.00 C ATOM 70 CG MET A 8 -2.752 -3.797 10.712 1.00 0.00 C ATOM 71 SD MET A 8 -4.178 -4.494 9.911 1.00 0.00 S ATOM 72 CE MET A 8 -4.274 -3.381 8.561 1.00 0.00 C ATOM 0 H MET A 8 -1.061 -1.891 10.128 1.00 0.00 H new ATOM 0 HA MET A 8 0.098 -4.339 11.300 1.00 0.00 H new ATOM 0 HB2 MET A 8 -1.656 -3.463 8.883 1.00 0.00 H new ATOM 0 HB3 MET A 8 -1.555 -5.106 9.484 1.00 0.00 H new ATOM 0 HG2 MET A 8 -2.596 -4.254 11.689 1.00 0.00 H new ATOM 0 HG3 MET A 8 -2.886 -2.728 10.877 1.00 0.00 H new ATOM 0 HE1 MET A 8 -5.212 -2.828 8.611 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.439 -2.682 8.605 1.00 0.00 H new ATOM 0 HE3 MET A 8 -4.231 -3.939 7.626 1.00 0.00 H new ATOM 73 N ILE A 9 1.371 -2.956 8.695 1.00 0.00 N ATOM 74 CA ILE A 9 2.644 -2.956 7.921 1.00 0.00 C ATOM 75 C ILE A 9 3.860 -3.027 8.923 1.00 0.00 C ATOM 76 O ILE A 9 4.842 -3.643 8.555 1.00 0.00 O ATOM 77 CB ILE A 9 2.578 -1.749 6.954 1.00 0.00 C ATOM 78 CG1 ILE A 9 1.383 -1.834 5.949 1.00 0.00 C ATOM 79 CG2 ILE A 9 3.814 -1.350 6.137 1.00 0.00 C ATOM 80 CD1 ILE A 9 1.711 -2.558 4.667 1.00 0.00 C ATOM 0 H ILE A 9 0.852 -2.082 8.608 1.00 0.00 H new ATOM 0 HA ILE A 9 2.794 -3.831 7.289 1.00 0.00 H new ATOM 0 HB ILE A 9 2.464 -0.967 7.704 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.548 -2.338 6.435 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.050 -0.824 5.709 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.577 -0.484 5.518 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.632 -1.100 6.813 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.112 -2.182 5.499 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.832 -2.575 4.023 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.525 -2.043 4.156 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.014 -3.580 4.894 1.00 0.00 H new ATOM 81 N LYS A 10 3.769 -2.505 10.168 1.00 0.00 N ATOM 82 CA LYS A 10 4.740 -2.790 11.278 1.00 0.00 C ATOM 83 C LYS A 10 4.566 -4.165 12.023 1.00 0.00 C ATOM 84 O LYS A 10 5.494 -4.648 12.674 1.00 0.00 O ATOM 85 CB LYS A 10 4.580 -1.796 12.468 1.00 0.00 C ATOM 86 CG LYS A 10 4.808 -0.355 12.059 1.00 0.00 C ATOM 87 CD LYS A 10 3.488 0.347 11.804 1.00 0.00 C ATOM 88 CE LYS A 10 3.159 1.584 12.633 1.00 0.00 C ATOM 89 NZ LYS A 10 2.820 1.258 14.031 1.00 0.00 N ATOM 0 H LYS A 10 3.020 -1.870 10.444 1.00 0.00 H new ATOM 0 HA LYS A 10 5.682 -2.739 10.732 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.579 -1.896 12.888 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.285 -2.062 13.256 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.358 0.167 12.842 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.423 -0.320 11.160 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.461 0.634 10.753 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.689 -0.379 11.957 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.011 2.263 12.619 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.323 2.112 12.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.605 2.134 14.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.990 0.632 14.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.626 0.778 14.481 1.00 0.00 H new ATOM 90 N CYS A 11 3.351 -4.716 12.041 1.00 0.00 N ATOM 91 CA CYS A 11 3.156 -6.155 12.363 1.00 0.00 C ATOM 92 C CYS A 11 3.795 -7.075 11.253 1.00 0.00 C ATOM 93 O CYS A 11 4.529 -8.005 11.584 1.00 0.00 O ATOM 94 CB CYS A 11 1.670 -6.471 12.512 1.00 0.00 C ATOM 95 SG CYS A 11 0.957 -5.810 14.012 1.00 0.00 S ATOM 0 H CYS A 11 2.490 -4.207 11.841 1.00 0.00 H new ATOM 0 HA CYS A 11 3.658 -6.358 13.309 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.132 -6.069 11.654 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.532 -7.552 12.497 1.00 0.00 H new ATOM 96 N ALA A 12 3.533 -6.726 9.982 1.00 0.00 N ATOM 97 CA ALA A 12 4.100 -7.365 8.778 1.00 0.00 C ATOM 98 C ALA A 12 5.628 -7.271 8.612 1.00 0.00 C ATOM 99 O ALA A 12 6.247 -8.224 8.137 1.00 0.00 O ATOM 100 CB ALA A 12 3.301 -6.833 7.582 1.00 0.00 C ATOM 0 H ALA A 12 2.896 -5.962 9.754 1.00 0.00 H new ATOM 0 HA ALA A 12 3.988 -8.445 8.871 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.683 -7.277 6.663 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.250 -7.094 7.702 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.402 -5.749 7.530 1.00 0.00 H new ATOM 101 N ILE A 13 6.243 -6.164 9.015 1.00 0.00 N ATOM 102 CA ILE A 13 7.692 -5.949 9.039 1.00 0.00 C ATOM 103 C ILE A 13 7.760 -5.821 10.585 1.00 0.00 C ATOM 104 O ILE A 13 7.428 -4.727 11.051 1.00 0.00 O ATOM 105 CB ILE A 13 7.901 -4.647 8.217 1.00 0.00 C ATOM 106 CG1 ILE A 13 7.809 -4.916 6.690 1.00 0.00 C ATOM 107 CG2 ILE A 13 9.070 -3.750 8.575 1.00 0.00 C ATOM 108 CD1 ILE A 13 6.469 -4.403 6.168 1.00 0.00 C ATOM 0 H ILE A 13 5.724 -5.352 9.350 1.00 0.00 H new ATOM 0 HA ILE A 13 8.424 -6.647 8.633 1.00 0.00 H new ATOM 0 HB ILE A 13 7.058 -4.034 8.536 1.00 0.00 H new ATOM 0 HG12 ILE A 13 8.629 -4.419 6.171 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.906 -5.983 6.490 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.081 -2.884 7.913 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.969 -3.416 9.608 1.00 0.00 H new ATOM 0 HG23 ILE A 13 10.002 -4.304 8.462 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.400 -4.590 5.096 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.657 -4.920 6.679 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.392 -3.332 6.355 1.00 0.00 H new ATOM 109 N PRO A 14 8.129 -6.848 11.415 1.00 0.00 N ATOM 110 CA PRO A 14 8.343 -6.707 12.922 1.00 0.00 C ATOM 111 C PRO A 14 9.086 -5.402 13.270 1.00 0.00 C ATOM 112 O PRO A 14 8.531 -4.525 13.936 1.00 0.00 O ATOM 113 CB PRO A 14 9.022 -8.038 13.310 1.00 0.00 C ATOM 114 CG PRO A 14 8.582 -9.025 12.193 1.00 0.00 C ATOM 115 CD PRO A 14 8.579 -8.153 10.930 1.00 0.00 C ATOM 0 HA PRO A 14 7.435 -6.582 13.513 1.00 0.00 H new ATOM 0 HB2 PRO A 14 10.107 -7.936 13.348 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.699 -8.379 14.294 1.00 0.00 H new ATOM 0 HG2 PRO A 14 9.273 -9.863 12.101 1.00 0.00 H new ATOM 0 HG3 PRO A 14 7.597 -9.446 12.393 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.570 -8.094 10.481 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.908 -8.551 10.169 1.00 0.00 H new ATOM 116 N GLY A 15 10.268 -5.230 12.645 1.00 0.00 N ATOM 117 CA GLY A 15 10.421 -4.053 11.764 1.00 0.00 C ATOM 118 C GLY A 15 10.448 -2.646 12.347 1.00 0.00 C ATOM 119 O GLY A 15 10.925 -2.477 13.475 1.00 0.00 O ATOM 0 H GLY A 15 11.080 -5.843 12.722 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.348 -4.187 11.207 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.606 -4.085 11.041 1.00 0.00 H new ATOM 120 N SER A 16 9.999 -1.621 11.571 1.00 0.00 N ATOM 121 CA SER A 16 10.152 -0.193 12.031 1.00 0.00 C ATOM 122 C SER A 16 9.056 0.738 11.445 1.00 0.00 C ATOM 123 O SER A 16 7.892 0.566 11.812 1.00 0.00 O ATOM 124 CB SER A 16 11.625 0.265 11.840 1.00 0.00 C ATOM 125 OG SER A 16 11.857 1.529 12.454 1.00 0.00 O ATOM 0 H SER A 16 9.547 -1.736 10.664 1.00 0.00 H new ATOM 0 HA SER A 16 9.965 -0.123 13.103 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.298 -0.478 12.268 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.854 0.327 10.776 1.00 0.00 H new ATOM 0 HG SER A 16 12.792 1.791 12.320 1.00 0.00 H new ATOM 126 N HIS A 17 9.397 1.712 10.566 1.00 0.00 N ATOM 127 CA HIS A 17 8.412 2.594 9.874 1.00 0.00 C ATOM 128 C HIS A 17 7.551 1.728 8.893 1.00 0.00 C ATOM 129 O HIS A 17 8.127 0.871 8.210 1.00 0.00 O ATOM 130 CB HIS A 17 8.999 3.824 9.065 1.00 0.00 C ATOM 131 CG HIS A 17 10.395 3.659 8.528 1.00 0.00 C ATOM 132 ND1 HIS A 17 11.585 4.172 9.023 1.00 0.00 N ATOM 133 CD2 HIS A 17 10.606 2.709 7.553 1.00 0.00 C ATOM 134 CE1 HIS A 17 12.443 3.451 8.226 1.00 0.00 C ATOM 135 NE2 HIS A 17 11.945 2.549 7.322 1.00 0.00 N ATOM 0 H HIS A 17 10.365 1.912 10.313 1.00 0.00 H new ATOM 0 HA HIS A 17 7.833 3.037 10.684 1.00 0.00 H new ATOM 0 HB2 HIS A 17 8.332 4.034 8.228 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.982 4.700 9.713 1.00 0.00 H new ATOM 0 HD2 HIS A 17 9.824 2.167 7.042 1.00 0.00 H new ATOM 0 HE1 HIS A 17 13.510 3.596 8.312 1.00 0.00 H new ATOM 0 HE2 HIS A 17 12.431 1.936 6.667 1.00 0.00 H new ATOM 136 N PRO A 18 6.216 1.911 8.757 1.00 0.00 N ATOM 137 CA PRO A 18 5.435 1.214 7.703 1.00 0.00 C ATOM 138 C PRO A 18 5.786 1.785 6.327 1.00 0.00 C ATOM 139 O PRO A 18 6.575 1.151 5.629 1.00 0.00 O ATOM 140 CB PRO A 18 3.971 1.360 8.130 1.00 0.00 C ATOM 141 CG PRO A 18 3.956 2.593 9.063 1.00 0.00 C ATOM 142 CD PRO A 18 5.368 2.704 9.665 1.00 0.00 C ATOM 0 HA PRO A 18 5.662 0.153 7.602 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.320 1.507 7.268 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.618 0.468 8.647 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.699 3.496 8.509 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.208 2.477 9.847 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.699 3.741 9.713 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.399 2.312 10.682 1.00 0.00 H new ATOM 143 N LEU A 19 5.298 2.992 5.993 1.00 0.00 N ATOM 144 CA LEU A 19 5.642 3.662 4.761 1.00 0.00 C ATOM 145 C LEU A 19 7.019 4.098 4.443 1.00 0.00 C ATOM 146 O LEU A 19 7.237 4.239 3.273 1.00 0.00 O ATOM 147 CB LEU A 19 4.934 5.057 4.694 1.00 0.00 C ATOM 148 CG LEU A 19 3.844 5.098 3.683 1.00 0.00 C ATOM 149 CD1 LEU A 19 3.067 6.383 3.937 1.00 0.00 C ATOM 150 CD2 LEU A 19 4.397 5.191 2.267 1.00 0.00 C ATOM 0 H LEU A 19 4.653 3.519 6.582 1.00 0.00 H new ATOM 0 HA LEU A 19 5.370 2.848 4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.524 5.300 5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.672 5.824 4.458 1.00 0.00 H new ATOM 0 HG LEU A 19 3.241 4.194 3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.251 6.463 3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.660 6.368 4.948 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.733 7.239 3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.572 5.219 1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.993 6.099 2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.023 4.322 2.063 1.00 0.00 H new ATOM 151 N MET A 20 7.731 4.677 5.367 1.00 0.00 N ATOM 152 CA MET A 20 8.984 5.429 5.013 1.00 0.00 C ATOM 153 C MET A 20 10.209 4.610 4.521 1.00 0.00 C ATOM 154 O MET A 20 11.176 5.141 3.974 1.00 0.00 O ATOM 155 CB MET A 20 9.108 6.358 6.198 1.00 0.00 C ATOM 156 CG MET A 20 8.129 7.537 6.127 1.00 0.00 C ATOM 157 SD MET A 20 7.454 7.911 7.762 1.00 0.00 S ATOM 158 CE MET A 20 6.451 6.421 8.028 1.00 0.00 C ATOM 0 H MET A 20 7.504 4.666 6.361 1.00 0.00 H new ATOM 0 HA MET A 20 8.934 5.980 4.074 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.930 5.797 7.115 1.00 0.00 H new ATOM 0 HB3 MET A 20 10.128 6.740 6.251 1.00 0.00 H new ATOM 0 HG2 MET A 20 8.638 8.415 5.729 1.00 0.00 H new ATOM 0 HG3 MET A 20 7.317 7.301 5.439 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.532 6.689 8.550 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.204 5.972 7.066 1.00 0.00 H new ATOM 0 HE3 MET A 20 7.014 5.706 8.628 1.00 0.00 H new ATOM 159 N ASP A 21 9.989 3.296 4.612 1.00 0.00 N ATOM 160 CA ASP A 21 10.568 2.269 3.713 1.00 0.00 C ATOM 161 C ASP A 21 10.022 2.267 2.240 1.00 0.00 C ATOM 162 O ASP A 21 10.495 1.475 1.422 1.00 0.00 O ATOM 163 CB ASP A 21 10.476 0.884 4.400 1.00 0.00 C ATOM 164 CG ASP A 21 11.230 -0.262 3.723 1.00 0.00 C ATOM 165 OD1 ASP A 21 12.587 -0.179 3.912 1.00 0.00 O ATOM 166 OD2 ASP A 21 10.672 -1.146 3.074 1.00 0.00 O ATOM 0 H ASP A 21 9.387 2.896 5.331 1.00 0.00 H new ATOM 0 HA ASP A 21 11.615 2.535 3.566 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.848 0.983 5.420 1.00 0.00 H new ATOM 0 HB3 ASP A 21 9.424 0.607 4.470 1.00 0.00 H new ATOM 167 N PHE A 22 9.069 3.141 1.904 1.00 0.00 N ATOM 168 CA PHE A 22 8.271 3.083 0.674 1.00 0.00 C ATOM 169 C PHE A 22 7.920 4.528 0.179 1.00 0.00 C ATOM 170 O PHE A 22 7.900 4.681 -1.039 1.00 0.00 O ATOM 171 CB PHE A 22 6.989 2.255 0.933 1.00 0.00 C ATOM 172 CG PHE A 22 7.177 0.797 1.368 1.00 0.00 C ATOM 173 CD1 PHE A 22 7.248 0.463 2.742 1.00 0.00 C ATOM 174 CD2 PHE A 22 7.179 -0.232 0.423 1.00 0.00 C ATOM 175 CE1 PHE A 22 7.116 -0.861 3.144 1.00 0.00 C ATOM 176 CE2 PHE A 22 7.206 -1.559 0.833 1.00 0.00 C ATOM 177 CZ PHE A 22 7.165 -1.864 2.185 1.00 0.00 C ATOM 0 H PHE A 22 8.823 3.933 2.498 1.00 0.00 H new ATOM 0 HA PHE A 22 8.850 2.597 -0.111 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.406 2.765 1.700 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.392 2.262 0.021 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.405 1.237 3.478 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.159 0.005 -0.630 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.977 -1.106 4.187 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.259 -2.351 0.101 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.171 -2.898 2.497 1.00 0.00 H new ATOM 178 N ASN A 23 7.685 5.577 1.032 1.00 0.00 N ATOM 179 CA ASN A 23 7.453 6.993 0.571 1.00 0.00 C ATOM 180 C ASN A 23 8.425 7.511 -0.542 1.00 0.00 C ATOM 181 O ASN A 23 8.006 8.086 -1.547 1.00 0.00 O ATOM 182 CB ASN A 23 7.532 7.860 1.868 1.00 0.00 C ATOM 183 CG ASN A 23 7.367 9.377 1.749 1.00 0.00 C ATOM 184 OD1 ASN A 23 7.045 9.941 0.703 1.00 0.00 O ATOM 185 ND2 ASN A 23 7.601 10.087 2.839 1.00 0.00 N ATOM 0 H ASN A 23 7.651 5.470 2.046 1.00 0.00 H new ATOM 0 HA ASN A 23 6.486 7.056 0.072 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.768 7.497 2.555 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.498 7.668 2.336 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.515 11.103 2.814 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.868 9.619 3.705 1.00 0.00 H new ATOM 186 N ASN A 24 9.701 7.260 -0.280 1.00 0.00 N ATOM 187 CA ASN A 24 10.832 7.609 -1.150 1.00 0.00 C ATOM 188 C ASN A 24 11.313 6.464 -2.109 1.00 0.00 C ATOM 189 O ASN A 24 11.742 6.806 -3.211 1.00 0.00 O ATOM 190 CB ASN A 24 12.020 8.049 -0.252 1.00 0.00 C ATOM 191 CG ASN A 24 11.900 9.407 0.449 1.00 0.00 C ATOM 192 OD1 ASN A 24 10.899 10.121 0.364 1.00 0.00 O ATOM 193 ND2 ASN A 24 12.939 9.795 1.168 1.00 0.00 N ATOM 0 H ASN A 24 9.995 6.790 0.576 1.00 0.00 H new ATOM 0 HA ASN A 24 10.480 8.407 -1.803 1.00 0.00 H new ATOM 0 HB2 ASN A 24 12.167 7.286 0.512 1.00 0.00 H new ATOM 0 HB3 ASN A 24 12.921 8.064 -0.866 1.00 0.00 H new ATOM 0 HD21 ASN A 24 12.915 10.690 1.657 1.00 0.00 H new ATOM 0 HD22 ASN A 24 13.764 9.199 1.234 1.00 0.00 H new ATOM 194 N TYR A 25 11.247 5.179 -1.688 1.00 0.00 N ATOM 195 CA TYR A 25 11.754 3.975 -2.423 1.00 0.00 C ATOM 196 C TYR A 25 11.570 3.985 -3.956 1.00 0.00 C ATOM 197 O TYR A 25 10.454 3.828 -4.461 1.00 0.00 O ATOM 198 CB TYR A 25 11.021 2.774 -1.772 1.00 0.00 C ATOM 199 CG TYR A 25 11.485 1.357 -2.078 1.00 0.00 C ATOM 200 CD1 TYR A 25 10.995 0.673 -3.204 1.00 0.00 C ATOM 201 CD2 TYR A 25 12.275 0.658 -1.158 1.00 0.00 C ATOM 202 CE1 TYR A 25 11.339 -0.653 -3.430 1.00 0.00 C ATOM 203 CE2 TYR A 25 12.606 -0.674 -1.381 1.00 0.00 C ATOM 204 CZ TYR A 25 12.163 -1.321 -2.535 1.00 0.00 C ATOM 205 OH TYR A 25 12.542 -2.599 -2.803 1.00 0.00 O ATOM 0 H TYR A 25 10.824 4.933 -0.793 1.00 0.00 H new ATOM 0 HA TYR A 25 12.839 3.934 -2.327 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.071 2.908 -0.691 1.00 0.00 H new ATOM 0 HB3 TYR A 25 9.970 2.841 -2.053 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.345 1.183 -3.899 1.00 0.00 H new ATOM 0 HD2 TYR A 25 12.630 1.157 -0.268 1.00 0.00 H new ATOM 0 HE1 TYR A 25 10.965 -1.166 -4.304 1.00 0.00 H new ATOM 0 HE2 TYR A 25 13.207 -1.208 -0.660 1.00 0.00 H new ATOM 0 HH TYR A 25 13.510 -2.687 -2.675 1.00 0.00 H new ATOM 206 N GLY A 26 12.689 4.209 -4.655 1.00 0.00 N ATOM 207 CA GLY A 26 12.712 4.342 -6.113 1.00 0.00 C ATOM 208 C GLY A 26 12.193 5.659 -6.677 1.00 0.00 C ATOM 209 O GLY A 26 12.905 6.639 -6.888 1.00 0.00 O ATOM 0 H GLY A 26 13.607 4.303 -4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 26 13.738 4.204 -6.453 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.123 3.531 -6.540 1.00 0.00 H new ATOM 210 N CYS A 27 10.900 5.552 -6.921 1.00 0.00 N ATOM 211 CA CYS A 27 10.049 6.610 -7.489 1.00 0.00 C ATOM 212 C CYS A 27 8.877 7.105 -6.605 1.00 0.00 C ATOM 213 O CYS A 27 8.427 8.235 -6.815 1.00 0.00 O ATOM 214 CB CYS A 27 9.480 6.199 -8.869 1.00 0.00 C ATOM 215 SG CYS A 27 10.654 5.212 -9.804 1.00 0.00 S ATOM 0 H CYS A 27 10.382 4.695 -6.725 1.00 0.00 H new ATOM 0 HA CYS A 27 10.739 7.450 -7.571 1.00 0.00 H new ATOM 0 HB2 CYS A 27 8.559 5.633 -8.729 1.00 0.00 H new ATOM 0 HB3 CYS A 27 9.222 7.093 -9.437 1.00 0.00 H new ATOM 216 N TYR A 28 8.347 6.278 -5.687 1.00 0.00 N ATOM 217 CA TYR A 28 7.091 6.589 -4.983 1.00 0.00 C ATOM 218 C TYR A 28 6.692 5.711 -3.759 1.00 0.00 C ATOM 219 O TYR A 28 6.020 6.210 -2.855 1.00 0.00 O ATOM 220 CB TYR A 28 5.819 6.551 -5.904 1.00 0.00 C ATOM 221 CG TYR A 28 5.716 5.655 -7.145 1.00 0.00 C ATOM 222 CD1 TYR A 28 5.630 4.257 -7.063 1.00 0.00 C ATOM 223 CD2 TYR A 28 5.511 6.252 -8.391 1.00 0.00 C ATOM 224 CE1 TYR A 28 5.298 3.490 -8.178 1.00 0.00 C ATOM 225 CE2 TYR A 28 5.158 5.486 -9.501 1.00 0.00 C ATOM 226 CZ TYR A 28 5.031 4.106 -9.388 1.00 0.00 C ATOM 227 OH TYR A 28 4.595 3.364 -10.439 1.00 0.00 O ATOM 0 H TYR A 28 8.769 5.390 -5.416 1.00 0.00 H new ATOM 0 HA TYR A 28 7.357 7.587 -4.635 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.979 6.288 -5.261 1.00 0.00 H new ATOM 0 HB3 TYR A 28 5.652 7.573 -6.245 1.00 0.00 H new ATOM 0 HD1 TYR A 28 5.824 3.767 -6.120 1.00 0.00 H new ATOM 0 HD2 TYR A 28 5.627 7.321 -8.496 1.00 0.00 H new ATOM 0 HE1 TYR A 28 5.249 2.414 -8.098 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.983 5.966 -10.452 1.00 0.00 H new ATOM 0 HH TYR A 28 4.021 3.914 -11.012 1.00 0.00 H new ATOM 228 N CYS A 29 6.999 4.416 -3.855 1.00 0.00 N ATOM 229 CA CYS A 29 6.199 3.289 -3.321 1.00 0.00 C ATOM 230 C CYS A 29 4.828 3.603 -2.715 1.00 0.00 C ATOM 231 O CYS A 29 3.931 4.003 -3.466 1.00 0.00 O ATOM 232 CB CYS A 29 7.077 2.151 -2.801 1.00 0.00 C ATOM 233 SG CYS A 29 6.298 0.542 -3.046 1.00 0.00 S ATOM 0 H CYS A 29 7.847 4.100 -4.326 1.00 0.00 H new ATOM 0 HA CYS A 29 5.709 2.795 -4.160 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.039 2.171 -3.312 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.277 2.301 -1.740 1.00 0.00 H new ATOM 234 N GLY A 30 4.657 3.518 -1.399 1.00 0.00 N ATOM 235 CA GLY A 30 3.357 3.798 -0.772 1.00 0.00 C ATOM 236 C GLY A 30 2.821 5.234 -0.874 1.00 0.00 C ATOM 237 O GLY A 30 1.640 5.384 -1.201 1.00 0.00 O ATOM 0 H GLY A 30 5.395 3.259 -0.744 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.618 3.130 -1.214 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.429 3.539 0.284 1.00 0.00 H new ATOM 238 N LEU A 31 3.637 6.274 -0.590 1.00 0.00 N ATOM 239 CA LEU A 31 3.138 7.656 -0.470 1.00 0.00 C ATOM 240 C LEU A 31 3.458 8.486 -1.678 1.00 0.00 C ATOM 241 O LEU A 31 2.584 8.965 -2.409 1.00 0.00 O ATOM 242 CB LEU A 31 3.333 8.217 0.962 1.00 0.00 C ATOM 243 CG LEU A 31 3.613 9.704 1.202 1.00 0.00 C ATOM 244 CD1 LEU A 31 2.534 10.686 0.749 1.00 0.00 C ATOM 245 CD2 LEU A 31 3.907 9.954 2.700 1.00 0.00 C ATOM 0 H LEU A 31 4.642 6.179 -0.440 1.00 0.00 H new ATOM 0 HA LEU A 31 2.050 7.692 -0.530 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.434 7.968 1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.156 7.662 1.412 1.00 0.00 H new ATOM 0 HG LEU A 31 4.475 9.909 0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.851 11.704 0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.377 10.584 -0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.603 10.471 1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.105 11.014 2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.045 9.652 3.295 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.778 9.373 3.002 1.00 0.00 H new ATOM 246 N GLY A 32 4.760 8.716 -1.725 1.00 0.00 N ATOM 247 CA GLY A 32 5.236 9.975 -2.286 1.00 0.00 C ATOM 248 C GLY A 32 5.011 10.317 -3.775 1.00 0.00 C ATOM 249 O GLY A 32 3.929 10.796 -4.124 1.00 0.00 O ATOM 0 H GLY A 32 5.484 8.077 -1.396 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.783 10.776 -1.702 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.310 10.018 -2.107 1.00 0.00 H new ATOM 250 N GLY A 33 6.028 10.097 -4.627 1.00 0.00 N ATOM 251 CA GLY A 33 6.060 10.605 -6.020 1.00 0.00 C ATOM 252 C GLY A 33 5.092 10.043 -7.077 1.00 0.00 C ATOM 253 O GLY A 33 3.967 9.650 -6.757 1.00 0.00 O ATOM 0 H GLY A 33 6.857 9.560 -4.372 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.897 11.682 -5.974 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.072 10.452 -6.396 1.00 0.00 H new ATOM 254 N SER A 34 5.524 10.068 -8.360 1.00 0.00 N ATOM 255 CA SER A 34 4.645 9.715 -9.515 1.00 0.00 C ATOM 256 C SER A 34 5.449 9.309 -10.791 1.00 0.00 C ATOM 257 O SER A 34 6.563 9.787 -11.026 1.00 0.00 O ATOM 258 CB SER A 34 3.724 10.930 -9.818 1.00 0.00 C ATOM 259 OG SER A 34 2.738 10.620 -10.798 1.00 0.00 O ATOM 0 H SER A 34 6.473 10.328 -8.628 1.00 0.00 H new ATOM 0 HA SER A 34 4.056 8.840 -9.240 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.234 11.251 -8.899 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.330 11.767 -10.165 1.00 0.00 H new ATOM 0 HG SER A 34 2.178 11.408 -10.960 1.00 0.00 H new ATOM 260 N GLY A 35 4.825 8.440 -11.611 1.00 0.00 N ATOM 261 CA GLY A 35 5.385 7.969 -12.896 1.00 0.00 C ATOM 262 C GLY A 35 5.242 6.441 -13.037 1.00 0.00 C ATOM 263 O GLY A 35 4.128 5.919 -13.136 1.00 0.00 O ATOM 0 H GLY A 35 3.910 8.041 -11.399 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.873 8.463 -13.722 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.437 8.246 -12.961 1.00 0.00 H new ATOM 264 N THR A 36 6.387 5.754 -13.036 1.00 0.00 N ATOM 265 CA THR A 36 6.489 4.274 -12.999 1.00 0.00 C ATOM 266 C THR A 36 7.620 3.883 -11.957 1.00 0.00 C ATOM 267 O THR A 36 8.417 4.748 -11.575 1.00 0.00 O ATOM 268 CB THR A 36 6.649 3.593 -14.396 1.00 0.00 C ATOM 269 OG1 THR A 36 6.712 4.508 -15.493 1.00 0.00 O ATOM 270 CG2 THR A 36 5.475 2.634 -14.650 1.00 0.00 C ATOM 0 H THR A 36 7.297 6.213 -13.061 1.00 0.00 H new ATOM 0 HA THR A 36 5.534 3.871 -12.663 1.00 0.00 H new ATOM 0 HB THR A 36 7.603 3.068 -14.352 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.814 4.009 -16.330 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.594 2.163 -15.626 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.458 1.866 -13.877 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.539 3.191 -14.628 1.00 0.00 H new ATOM 271 N PRO A 37 7.727 2.632 -11.443 1.00 0.00 N ATOM 272 CA PRO A 37 8.613 2.290 -10.283 1.00 0.00 C ATOM 273 C PRO A 37 10.073 1.950 -10.681 1.00 0.00 C ATOM 274 O PRO A 37 10.573 2.394 -11.719 1.00 0.00 O ATOM 275 CB PRO A 37 7.805 1.057 -9.765 1.00 0.00 C ATOM 276 CG PRO A 37 7.475 0.301 -11.057 1.00 0.00 C ATOM 277 CD PRO A 37 6.998 1.447 -11.944 1.00 0.00 C ATOM 0 HA PRO A 37 8.784 3.092 -9.565 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.393 0.448 -9.078 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.904 1.359 -9.231 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.345 -0.208 -11.472 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.704 -0.455 -10.908 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.223 1.257 -12.993 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.919 1.584 -11.869 1.00 0.00 H new ATOM 278 N VAL A 38 10.724 1.133 -9.838 1.00 0.00 N ATOM 279 CA VAL A 38 12.078 0.609 -10.065 1.00 0.00 C ATOM 280 C VAL A 38 12.133 -0.950 -9.828 1.00 0.00 C ATOM 281 O VAL A 38 12.502 -1.727 -10.709 1.00 0.00 O ATOM 282 CB VAL A 38 13.151 1.381 -9.225 1.00 0.00 C ATOM 283 CG1 VAL A 38 13.000 2.911 -9.211 1.00 0.00 C ATOM 284 CG2 VAL A 38 13.264 1.045 -7.716 1.00 0.00 C ATOM 0 H VAL A 38 10.314 0.812 -8.961 1.00 0.00 H new ATOM 0 HA VAL A 38 12.329 0.781 -11.112 1.00 0.00 H new ATOM 0 HB VAL A 38 14.025 1.030 -9.774 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.791 3.349 -8.602 1.00 0.00 H new ATOM 0 HG12 VAL A 38 13.072 3.293 -10.229 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.030 3.177 -8.791 1.00 0.00 H new ATOM 0 HG21 VAL A 38 14.046 1.655 -7.265 1.00 0.00 H new ATOM 0 HG22 VAL A 38 12.313 1.253 -7.225 1.00 0.00 H new ATOM 0 HG23 VAL A 38 13.512 -0.010 -7.596 1.00 0.00 H new ATOM 285 N ASP A 39 11.764 -1.298 -8.593 1.00 0.00 N ATOM 286 CA ASP A 39 11.869 -2.659 -8.013 1.00 0.00 C ATOM 287 C ASP A 39 10.662 -3.535 -8.300 1.00 0.00 C ATOM 288 O ASP A 39 9.586 -3.015 -8.602 1.00 0.00 O ATOM 289 CB ASP A 39 12.202 -2.569 -6.496 1.00 0.00 C ATOM 290 CG ASP A 39 13.159 -3.677 -6.025 1.00 0.00 C ATOM 291 OD1 ASP A 39 14.320 -3.768 -6.420 1.00 0.00 O ATOM 292 OD2 ASP A 39 12.574 -4.551 -5.148 1.00 0.00 O ATOM 0 H ASP A 39 11.369 -0.623 -7.938 1.00 0.00 H new ATOM 0 HA ASP A 39 12.695 -3.164 -8.514 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.648 -1.597 -6.284 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.277 -2.627 -5.922 1.00 0.00 H new ATOM 293 N GLU A 40 10.818 -4.882 -8.125 1.00 0.00 N ATOM 294 CA GLU A 40 9.638 -5.744 -7.911 1.00 0.00 C ATOM 295 C GLU A 40 8.722 -5.188 -6.773 1.00 0.00 C ATOM 296 O GLU A 40 7.504 -5.082 -6.932 1.00 0.00 O ATOM 297 CB GLU A 40 9.873 -7.217 -7.514 1.00 0.00 C ATOM 298 CG GLU A 40 8.723 -8.068 -8.072 1.00 0.00 C ATOM 299 CD GLU A 40 8.901 -8.539 -9.502 1.00 0.00 C ATOM 300 OE1 GLU A 40 9.610 -9.495 -9.815 1.00 0.00 O ATOM 301 OE2 GLU A 40 8.182 -7.784 -10.393 1.00 0.00 O ATOM 0 H GLU A 40 11.715 -5.368 -8.129 1.00 0.00 H new ATOM 0 HA GLU A 40 9.204 -5.726 -8.911 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.827 -7.567 -7.908 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.922 -7.313 -6.429 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.596 -8.941 -7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.801 -7.490 -8.009 1.00 0.00 H new ATOM 302 N LEU A 41 9.372 -4.815 -5.658 1.00 0.00 N ATOM 303 CA LEU A 41 8.719 -4.153 -4.549 1.00 0.00 C ATOM 304 C LEU A 41 8.041 -2.808 -4.799 1.00 0.00 C ATOM 305 O LEU A 41 6.983 -2.531 -4.228 1.00 0.00 O ATOM 306 CB LEU A 41 9.718 -4.358 -3.412 1.00 0.00 C ATOM 307 CG LEU A 41 9.308 -4.203 -1.963 1.00 0.00 C ATOM 308 CD1 LEU A 41 9.726 -2.965 -1.216 1.00 0.00 C ATOM 309 CD2 LEU A 41 7.853 -4.572 -1.813 1.00 0.00 C ATOM 0 H LEU A 41 10.370 -4.971 -5.514 1.00 0.00 H new ATOM 0 HA LEU A 41 7.752 -4.576 -4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.121 -5.365 -3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.541 -3.665 -3.584 1.00 0.00 H new ATOM 0 HG LEU A 41 9.931 -4.915 -1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.351 -3.013 -0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.814 -2.899 -1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.316 -2.085 -1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.555 -4.461 -0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.245 -3.916 -2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.706 -5.606 -2.124 1.00 0.00 H new ATOM 310 N ASP A 42 8.585 -2.017 -5.725 1.00 0.00 N ATOM 311 CA ASP A 42 7.931 -0.799 -6.236 1.00 0.00 C ATOM 312 C ASP A 42 6.805 -1.020 -7.298 1.00 0.00 C ATOM 313 O ASP A 42 6.012 -0.101 -7.496 1.00 0.00 O ATOM 314 CB ASP A 42 9.077 0.150 -6.623 1.00 0.00 C ATOM 315 CG ASP A 42 8.783 1.644 -6.593 1.00 0.00 C ATOM 316 OD1 ASP A 42 7.739 2.133 -6.172 1.00 0.00 O ATOM 317 OD2 ASP A 42 9.834 2.380 -7.072 1.00 0.00 O ATOM 0 H ASP A 42 9.496 -2.199 -6.147 1.00 0.00 H new ATOM 0 HA ASP A 42 7.313 -0.337 -5.466 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.916 -0.043 -5.954 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.405 -0.110 -7.629 1.00 0.00 H new ATOM 318 N ARG A 43 6.678 -2.204 -7.923 1.00 0.00 N ATOM 319 CA ARG A 43 5.556 -2.542 -8.838 1.00 0.00 C ATOM 320 C ARG A 43 4.172 -2.729 -8.109 1.00 0.00 C ATOM 321 O ARG A 43 3.158 -2.336 -8.686 1.00 0.00 O ATOM 322 CB ARG A 43 5.749 -3.935 -9.488 1.00 0.00 C ATOM 323 CG ARG A 43 7.048 -4.289 -10.152 1.00 0.00 C ATOM 324 CD ARG A 43 7.685 -3.288 -11.072 1.00 0.00 C ATOM 325 NE ARG A 43 6.782 -2.899 -12.154 1.00 0.00 N ATOM 326 CZ ARG A 43 7.189 -2.381 -13.333 1.00 0.00 C ATOM 327 NH1 ARG A 43 8.461 -2.140 -13.645 1.00 0.00 N ATOM 328 NH2 ARG A 43 6.274 -2.094 -14.235 1.00 0.00 N ATOM 0 H ARG A 43 7.351 -2.962 -7.812 1.00 0.00 H new ATOM 0 HA ARG A 43 5.555 -1.705 -9.536 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.570 -4.680 -8.713 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.963 -4.055 -10.233 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.768 -4.521 -9.367 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.890 -5.206 -10.720 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.975 -2.404 -10.504 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.598 -3.710 -11.493 1.00 0.00 H new ATOM 0 HE ARG A 43 5.780 -3.027 -12.009 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.199 -2.349 -12.973 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.697 -1.747 -14.556 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.289 -2.264 -14.034 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.550 -1.702 -15.135 1.00 0.00 H new ATOM 329 N CYS A 44 4.125 -3.360 -6.899 1.00 0.00 N ATOM 330 CA CYS A 44 2.920 -3.326 -6.030 1.00 0.00 C ATOM 331 C CYS A 44 2.415 -1.889 -5.676 1.00 0.00 C ATOM 332 O CYS A 44 1.244 -1.753 -5.364 1.00 0.00 O ATOM 333 CB CYS A 44 3.198 -4.127 -4.747 1.00 0.00 C ATOM 334 SG CYS A 44 2.989 -5.888 -5.039 1.00 0.00 S ATOM 0 H CYS A 44 4.903 -3.893 -6.510 1.00 0.00 H new ATOM 0 HA CYS A 44 2.112 -3.779 -6.605 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.213 -3.929 -4.401 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.522 -3.802 -3.956 1.00 0.00 H new ATOM 335 N CYS A 45 3.289 -0.882 -5.740 1.00 0.00 N ATOM 336 CA CYS A 45 2.956 0.541 -5.741 1.00 0.00 C ATOM 337 C CYS A 45 2.716 1.210 -7.132 1.00 0.00 C ATOM 338 O CYS A 45 2.132 2.297 -7.116 1.00 0.00 O ATOM 339 CB CYS A 45 4.121 1.247 -5.073 1.00 0.00 C ATOM 340 SG CYS A 45 4.335 0.711 -3.373 1.00 0.00 S ATOM 0 H CYS A 45 4.294 -1.046 -5.795 1.00 0.00 H new ATOM 0 HA CYS A 45 1.998 0.632 -5.229 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.035 1.052 -5.634 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.956 2.324 -5.097 1.00 0.00 H new ATOM 341 N GLU A 46 3.110 0.655 -8.317 1.00 0.00 N ATOM 342 CA GLU A 46 2.452 1.054 -9.608 1.00 0.00 C ATOM 343 C GLU A 46 0.941 0.667 -9.548 1.00 0.00 C ATOM 344 O GLU A 46 0.099 1.526 -9.798 1.00 0.00 O ATOM 345 CB GLU A 46 3.161 0.391 -10.806 1.00 0.00 C ATOM 346 CG GLU A 46 2.667 0.916 -12.166 1.00 0.00 C ATOM 347 CD GLU A 46 3.086 0.069 -13.362 1.00 0.00 C ATOM 348 OE1 GLU A 46 3.520 -1.080 -13.284 1.00 0.00 O ATOM 349 OE2 GLU A 46 2.886 0.731 -14.545 1.00 0.00 O ATOM 0 H GLU A 46 3.849 -0.042 -8.410 1.00 0.00 H new ATOM 0 HA GLU A 46 2.532 2.132 -9.746 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.234 0.562 -10.725 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.006 -0.687 -10.761 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.579 0.977 -12.144 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.040 1.930 -12.307 1.00 0.00 H new ATOM 350 N THR A 47 0.631 -0.558 -9.070 1.00 0.00 N ATOM 351 CA THR A 47 -0.699 -0.902 -8.507 1.00 0.00 C ATOM 352 C THR A 47 -0.772 -0.194 -7.103 1.00 0.00 C ATOM 353 O THR A 47 -0.276 0.924 -7.019 1.00 0.00 O ATOM 354 CB THR A 47 -0.699 -2.457 -8.547 1.00 0.00 C ATOM 355 OG1 THR A 47 -0.455 -2.931 -9.880 1.00 0.00 O ATOM 356 CG2 THR A 47 -2.009 -3.111 -8.162 1.00 0.00 C ATOM 0 H THR A 47 1.291 -1.336 -9.062 1.00 0.00 H new ATOM 0 HA THR A 47 -1.598 -0.565 -9.023 1.00 0.00 H new ATOM 0 HB THR A 47 0.074 -2.721 -7.826 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.457 -3.911 -9.884 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.906 -4.194 -8.221 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.272 -2.827 -7.143 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.794 -2.783 -8.844 1.00 0.00 H new ATOM 357 N HIS A 48 -1.263 -0.766 -5.997 1.00 0.00 N ATOM 358 CA HIS A 48 -1.698 -0.006 -4.749 1.00 0.00 C ATOM 359 C HIS A 48 -1.667 1.595 -4.774 1.00 0.00 C ATOM 360 O HIS A 48 -0.974 2.303 -4.043 1.00 0.00 O ATOM 361 CB HIS A 48 -0.918 -0.544 -3.505 1.00 0.00 C ATOM 362 CG HIS A 48 -1.821 -0.497 -2.243 1.00 0.00 C ATOM 363 ND1 HIS A 48 -1.854 0.614 -1.390 1.00 0.00 N ATOM 364 CD2 HIS A 48 -2.826 -1.421 -1.866 1.00 0.00 C ATOM 365 CE1 HIS A 48 -2.881 0.244 -0.585 1.00 0.00 C ATOM 366 NE2 HIS A 48 -3.597 -0.867 -0.877 1.00 0.00 N ATOM 0 H HIS A 48 -1.383 -1.775 -5.911 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.767 -0.215 -4.698 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -0.589 -1.567 -3.688 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.022 0.055 -3.342 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -1.276 1.454 -1.378 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.963 -2.405 -2.290 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.127 0.834 0.286 1.00 0.00 H new ATOM 367 N ASP A 49 -2.486 2.023 -5.729 1.00 0.00 N ATOM 368 CA ASP A 49 -2.562 3.333 -6.383 1.00 0.00 C ATOM 369 C ASP A 49 -3.443 2.910 -7.648 1.00 0.00 C ATOM 370 O ASP A 49 -4.559 3.414 -7.740 1.00 0.00 O ATOM 371 CB ASP A 49 -1.261 3.938 -6.916 1.00 0.00 C ATOM 372 CG ASP A 49 -0.401 4.702 -5.932 1.00 0.00 C ATOM 373 OD1 ASP A 49 -0.952 5.910 -5.589 1.00 0.00 O ATOM 374 OD2 ASP A 49 0.672 4.282 -5.498 1.00 0.00 O ATOM 0 H ASP A 49 -3.193 1.393 -6.108 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.913 4.097 -5.689 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.660 3.131 -7.335 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.512 4.609 -7.738 1.00 0.00 H new ATOM 375 N ASN A 50 -2.960 1.999 -8.562 1.00 0.00 N ATOM 376 CA ASN A 50 -3.795 1.423 -9.640 1.00 0.00 C ATOM 377 C ASN A 50 -4.774 0.278 -9.247 1.00 0.00 C ATOM 378 O ASN A 50 -5.770 0.111 -9.957 1.00 0.00 O ATOM 379 CB ASN A 50 -3.087 1.179 -10.987 1.00 0.00 C ATOM 380 CG ASN A 50 -2.542 2.450 -11.660 1.00 0.00 C ATOM 381 OD1 ASN A 50 -3.218 3.472 -11.777 1.00 0.00 O ATOM 382 ND2 ASN A 50 -1.306 2.413 -12.117 1.00 0.00 N ATOM 0 H ASN A 50 -1.998 1.659 -8.560 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.457 2.270 -9.819 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.262 0.484 -10.829 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.786 0.694 -11.668 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.905 3.234 -12.570 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.751 1.563 -12.017 1.00 0.00 H new ATOM 383 N CYS A 51 -4.548 -0.477 -8.156 1.00 0.00 N ATOM 384 CA CYS A 51 -5.668 -1.173 -7.470 1.00 0.00 C ATOM 385 C CYS A 51 -6.323 -0.327 -6.324 1.00 0.00 C ATOM 386 O CYS A 51 -7.369 -0.761 -5.829 1.00 0.00 O ATOM 387 CB CYS A 51 -5.256 -2.529 -6.852 1.00 0.00 C ATOM 388 SG CYS A 51 -4.328 -2.300 -5.322 1.00 0.00 S ATOM 0 H CYS A 51 -3.630 -0.623 -7.735 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.390 -1.330 -8.272 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -6.146 -3.126 -6.653 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.651 -3.087 -7.566 1.00 0.00 H new ATOM 389 N TYR A 52 -5.728 0.819 -5.881 1.00 0.00 N ATOM 390 CA TYR A 52 -6.222 1.496 -4.637 1.00 0.00 C ATOM 391 C TYR A 52 -7.426 2.399 -4.907 1.00 0.00 C ATOM 392 O TYR A 52 -8.413 2.375 -4.164 1.00 0.00 O ATOM 393 CB TYR A 52 -5.111 2.265 -3.893 1.00 0.00 C ATOM 394 CG TYR A 52 -5.276 2.594 -2.416 1.00 0.00 C ATOM 395 CD1 TYR A 52 -6.305 2.016 -1.675 1.00 0.00 C ATOM 396 CD2 TYR A 52 -4.254 3.292 -1.732 1.00 0.00 C ATOM 397 CE1 TYR A 52 -6.261 2.035 -0.301 1.00 0.00 C ATOM 398 CE2 TYR A 52 -4.254 3.349 -0.335 1.00 0.00 C ATOM 399 CZ TYR A 52 -5.270 2.714 0.374 1.00 0.00 C ATOM 400 OH TYR A 52 -5.283 2.659 1.723 1.00 0.00 O ATOM 0 H TYR A 52 -4.941 1.279 -6.340 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.552 0.693 -3.978 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.192 1.689 -3.997 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.958 3.207 -4.421 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.139 1.552 -2.181 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.471 3.783 -2.291 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.018 1.507 0.260 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.473 3.880 0.189 1.00 0.00 H new ATOM 0 HH TYR A 52 -5.096 1.742 2.015 1.00 0.00 H new ATOM 401 N ARG A 53 -7.314 3.176 -5.984 1.00 0.00 N ATOM 402 CA ARG A 53 -8.398 3.900 -6.598 1.00 0.00 C ATOM 403 C ARG A 53 -9.747 3.172 -6.714 1.00 0.00 C ATOM 404 O ARG A 53 -10.733 3.753 -6.280 1.00 0.00 O ATOM 405 CB ARG A 53 -7.742 4.497 -7.862 1.00 0.00 C ATOM 406 CG ARG A 53 -8.224 3.878 -9.140 1.00 0.00 C ATOM 407 CD ARG A 53 -7.444 2.693 -9.596 1.00 0.00 C ATOM 408 NE ARG A 53 -6.630 3.097 -10.753 1.00 0.00 N ATOM 409 CZ ARG A 53 -6.896 2.765 -12.034 1.00 0.00 C ATOM 410 NH1 ARG A 53 -7.928 2.016 -12.415 1.00 0.00 N ATOM 411 NH2 ARG A 53 -6.088 3.214 -12.973 1.00 0.00 N ATOM 0 H ARG A 53 -6.424 3.316 -6.463 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.801 4.693 -5.968 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.938 5.569 -7.891 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.661 4.373 -7.793 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.266 3.582 -9.013 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.200 4.634 -9.925 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.806 2.325 -8.792 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.115 1.878 -9.869 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.805 3.669 -10.574 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.579 1.653 -11.719 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.068 1.805 -13.403 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.288 3.795 -12.722 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.262 2.980 -13.950 1.00 0.00 H new ATOM 412 N ASP A 54 -9.762 1.956 -7.298 1.00 0.00 N ATOM 413 CA ASP A 54 -10.973 1.418 -8.011 1.00 0.00 C ATOM 414 C ASP A 54 -12.272 1.118 -7.217 1.00 0.00 C ATOM 415 O ASP A 54 -13.301 0.748 -7.770 1.00 0.00 O ATOM 416 CB ASP A 54 -10.504 0.183 -8.786 1.00 0.00 C ATOM 417 CG ASP A 54 -11.329 -0.243 -9.990 1.00 0.00 C ATOM 418 OD1 ASP A 54 -11.178 0.236 -11.112 1.00 0.00 O ATOM 419 OD2 ASP A 54 -12.244 -1.218 -9.679 1.00 0.00 O ATOM 0 H ASP A 54 -8.964 1.321 -7.299 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.325 2.244 -8.628 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.484 0.365 -9.124 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.465 -0.656 -8.091 1.00 0.00 H new ATOM 420 N ALA A 55 -12.143 1.303 -5.916 1.00 0.00 N ATOM 421 CA ALA A 55 -13.218 1.665 -4.981 1.00 0.00 C ATOM 422 C ALA A 55 -14.125 2.839 -5.453 1.00 0.00 C ATOM 423 O ALA A 55 -15.342 2.760 -5.308 1.00 0.00 O ATOM 424 CB ALA A 55 -12.451 2.172 -3.744 1.00 0.00 C ATOM 0 H ALA A 55 -11.242 1.202 -5.448 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.879 0.809 -4.841 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.161 2.473 -2.974 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.814 1.376 -3.359 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.835 3.027 -4.023 1.00 0.00 H new ATOM 425 N LYS A 56 -13.510 3.894 -6.027 1.00 0.00 N ATOM 426 CA LYS A 56 -14.178 4.915 -6.836 1.00 0.00 C ATOM 427 C LYS A 56 -15.131 4.465 -7.948 1.00 0.00 C ATOM 428 O LYS A 56 -16.167 5.087 -8.195 1.00 0.00 O ATOM 429 CB LYS A 56 -13.140 5.960 -7.256 1.00 0.00 C ATOM 430 CG LYS A 56 -12.227 5.528 -8.382 1.00 0.00 C ATOM 431 CD LYS A 56 -10.919 6.288 -8.260 1.00 0.00 C ATOM 432 CE LYS A 56 -10.180 6.562 -9.567 1.00 0.00 C ATOM 433 NZ LYS A 56 -10.767 7.654 -10.365 1.00 0.00 N ATOM 0 H LYS A 56 -12.507 4.057 -5.933 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.925 5.366 -6.183 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -13.661 6.869 -7.557 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.530 6.215 -6.389 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.047 4.454 -8.333 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.694 5.729 -9.346 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.120 7.242 -7.773 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.256 5.727 -7.601 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.142 6.806 -9.342 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.171 5.651 -10.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.214 7.783 -11.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.749 7.416 -10.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.752 8.535 -9.812 1.00 0.00 H new ATOM 434 N ASN A 57 -14.709 3.376 -8.615 1.00 0.00 N ATOM 435 CA ASN A 57 -15.422 2.744 -9.745 1.00 0.00 C ATOM 436 C ASN A 57 -16.310 1.521 -9.371 1.00 0.00 C ATOM 437 O ASN A 57 -17.135 1.119 -10.194 1.00 0.00 O ATOM 438 CB ASN A 57 -14.256 2.262 -10.659 1.00 0.00 C ATOM 439 CG ASN A 57 -14.608 1.886 -12.091 1.00 0.00 C ATOM 440 OD1 ASN A 57 -15.516 2.436 -12.715 1.00 0.00 O ATOM 441 ND2 ASN A 57 -13.862 0.960 -12.664 1.00 0.00 N ATOM 0 H ASN A 57 -13.840 2.897 -8.379 1.00 0.00 H new ATOM 0 HA ASN A 57 -16.122 3.452 -10.188 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -13.504 3.050 -10.691 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.791 1.397 -10.186 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.035 0.693 -13.633 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.113 0.511 -12.138 1.00 0.00 H new ATOM 442 N LEU A 58 -16.102 0.960 -8.169 1.00 0.00 N ATOM 443 CA LEU A 58 -16.625 -0.341 -7.706 1.00 0.00 C ATOM 444 C LEU A 58 -18.010 -0.791 -8.130 1.00 0.00 C ATOM 445 O LEU A 58 -18.972 -0.027 -8.233 1.00 0.00 O ATOM 446 CB LEU A 58 -16.289 -0.380 -6.203 1.00 0.00 C ATOM 447 CG LEU A 58 -16.197 -1.653 -5.390 1.00 0.00 C ATOM 448 CD1 LEU A 58 -15.372 -2.686 -6.108 1.00 0.00 C ATOM 449 CD2 LEU A 58 -15.491 -1.364 -4.052 1.00 0.00 C ATOM 0 H LEU A 58 -15.537 1.422 -7.457 1.00 0.00 H new ATOM 0 HA LEU A 58 -16.135 -1.145 -8.256 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -15.328 0.122 -6.093 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.033 0.244 -5.708 1.00 0.00 H new ATOM 0 HG LEU A 58 -17.211 -2.020 -5.234 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.319 -3.593 -5.505 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -15.832 -2.915 -7.069 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -14.366 -2.299 -6.271 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -15.426 -2.283 -3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.487 -0.985 -4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -16.059 -0.619 -3.494 1.00 0.00 H new ATOM 450 N ASP A 59 -18.041 -2.110 -8.355 1.00 0.00 N ATOM 451 CA ASP A 59 -19.282 -2.903 -8.500 1.00 0.00 C ATOM 452 C ASP A 59 -20.278 -2.724 -7.306 1.00 0.00 C ATOM 453 O ASP A 59 -21.496 -2.794 -7.475 1.00 0.00 O ATOM 454 CB ASP A 59 -18.776 -4.386 -8.391 1.00 0.00 C ATOM 455 CG ASP A 59 -18.225 -4.975 -9.679 1.00 0.00 C ATOM 456 OD1 ASP A 59 -19.217 -5.442 -10.502 1.00 0.00 O ATOM 457 OD2 ASP A 59 -17.023 -5.020 -9.942 1.00 0.00 O ATOM 0 H ASP A 59 -17.194 -2.672 -8.444 1.00 0.00 H new ATOM 0 HA ASP A 59 -19.798 -2.614 -9.415 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -18.000 -4.434 -7.627 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -19.601 -5.011 -8.048 1.00 0.00 H new ATOM 458 N SER A 60 -19.675 -2.560 -6.127 1.00 0.00 N ATOM 459 CA SER A 60 -20.345 -2.447 -4.843 1.00 0.00 C ATOM 460 C SER A 60 -20.337 -0.978 -4.371 1.00 0.00 C ATOM 461 O SER A 60 -21.249 -0.608 -3.628 1.00 0.00 O ATOM 462 CB SER A 60 -19.514 -3.384 -3.953 1.00 0.00 C ATOM 463 OG SER A 60 -20.312 -3.987 -2.952 1.00 0.00 O ATOM 0 H SER A 60 -18.660 -2.500 -6.044 1.00 0.00 H new ATOM 0 HA SER A 60 -21.399 -2.724 -4.844 1.00 0.00 H new ATOM 0 HB2 SER A 60 -19.052 -4.157 -4.567 1.00 0.00 H new ATOM 0 HB3 SER A 60 -18.705 -2.822 -3.486 1.00 0.00 H new ATOM 0 HG SER A 60 -20.661 -3.296 -2.351 1.00 0.00 H new ATOM 464 N CYS A 61 -19.335 -0.156 -4.803 1.00 0.00 N ATOM 465 CA CYS A 61 -19.300 1.278 -4.453 1.00 0.00 C ATOM 466 C CYS A 61 -19.068 2.138 -5.717 1.00 0.00 C ATOM 467 O CYS A 61 -17.943 2.531 -6.032 1.00 0.00 O ATOM 468 CB CYS A 61 -18.262 1.475 -3.342 1.00 0.00 C ATOM 469 SG CYS A 61 -19.107 1.881 -1.805 1.00 0.00 S ATOM 0 H CYS A 61 -18.557 -0.466 -5.385 1.00 0.00 H new ATOM 0 HA CYS A 61 -20.258 1.620 -4.060 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -17.670 0.568 -3.217 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -17.570 2.273 -3.612 1.00 0.00 H new ATOM 528 N TYR A 69 -6.083 8.066 -0.232 1.00 0.00 N ATOM 529 CA TYR A 69 -5.838 6.609 -0.064 1.00 0.00 C ATOM 530 C TYR A 69 -7.306 6.082 0.083 1.00 0.00 C ATOM 531 O TYR A 69 -8.065 6.111 -0.892 1.00 0.00 O ATOM 532 CB TYR A 69 -4.893 6.467 1.173 1.00 0.00 C ATOM 533 CG TYR A 69 -3.400 6.954 0.914 1.00 0.00 C ATOM 534 CD1 TYR A 69 -2.604 6.541 -0.183 1.00 0.00 C ATOM 535 CD2 TYR A 69 -2.876 7.995 1.705 1.00 0.00 C ATOM 536 CE1 TYR A 69 -1.445 7.237 -0.553 1.00 0.00 C ATOM 537 CE2 TYR A 69 -1.719 8.694 1.330 1.00 0.00 C ATOM 538 CZ TYR A 69 -1.032 8.336 0.181 1.00 0.00 C ATOM 539 OH TYR A 69 0.049 9.056 -0.225 1.00 0.00 O ATOM 0 HA TYR A 69 -5.332 6.047 -0.849 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -5.311 7.038 2.002 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.874 5.422 1.483 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.897 5.669 -0.748 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -3.378 8.262 2.623 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.874 6.916 -1.411 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.363 9.513 1.938 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.181 10.008 -0.244 1.00 0.00 H new ATOM 540 N THR A 70 -7.725 5.671 1.283 1.00 0.00 N ATOM 541 CA THR A 70 -9.080 5.796 1.788 1.00 0.00 C ATOM 542 C THR A 70 -10.198 4.870 1.302 1.00 0.00 C ATOM 543 O THR A 70 -10.872 5.178 0.318 1.00 0.00 O ATOM 544 CB THR A 70 -9.636 7.266 1.916 1.00 0.00 C ATOM 545 OG1 THR A 70 -9.703 7.934 0.656 1.00 0.00 O ATOM 546 CG2 THR A 70 -8.852 8.125 2.899 1.00 0.00 C ATOM 0 H THR A 70 -7.097 5.224 1.951 1.00 0.00 H new ATOM 0 HA THR A 70 -8.829 5.391 2.768 1.00 0.00 H new ATOM 0 HB THR A 70 -10.646 7.143 2.308 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.108 7.339 -0.009 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.288 9.123 2.938 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.892 7.673 3.890 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.814 8.195 2.574 1.00 0.00 H new ATOM 547 N GLU A 71 -10.462 3.820 2.101 1.00 0.00 N ATOM 548 CA GLU A 71 -11.842 3.390 2.385 1.00 0.00 C ATOM 549 C GLU A 71 -11.954 2.840 3.839 1.00 0.00 C ATOM 550 O GLU A 71 -12.505 3.548 4.688 1.00 0.00 O ATOM 551 CB GLU A 71 -12.663 2.530 1.399 1.00 0.00 C ATOM 552 CG GLU A 71 -13.195 3.223 0.143 1.00 0.00 C ATOM 553 CD GLU A 71 -14.049 4.469 0.330 1.00 0.00 C ATOM 554 OE1 GLU A 71 -14.929 4.572 1.184 1.00 0.00 O ATOM 555 OE2 GLU A 71 -13.735 5.452 -0.576 1.00 0.00 O ATOM 0 H GLU A 71 -9.744 3.258 2.558 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.354 4.339 2.229 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.042 1.691 1.085 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.512 2.113 1.940 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.341 3.492 -0.479 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.781 2.496 -0.418 1.00 0.00 H new ATOM 556 N SER A 72 -11.503 1.590 4.109 1.00 0.00 N ATOM 557 CA SER A 72 -11.882 0.893 5.382 1.00 0.00 C ATOM 558 C SER A 72 -10.965 -0.281 5.870 1.00 0.00 C ATOM 559 O SER A 72 -10.080 -0.736 5.145 1.00 0.00 O ATOM 560 CB SER A 72 -13.321 0.360 5.180 1.00 0.00 C ATOM 561 OG SER A 72 -13.991 0.173 6.418 1.00 0.00 O ATOM 0 H SER A 72 -10.896 1.051 3.491 1.00 0.00 H new ATOM 0 HA SER A 72 -11.773 1.636 6.172 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.885 1.060 4.563 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.286 -0.585 4.639 1.00 0.00 H new ATOM 0 HG SER A 72 -13.966 -0.775 6.663 1.00 0.00 H new ATOM 562 N TYR A 73 -11.241 -0.741 7.118 1.00 0.00 N ATOM 563 CA TYR A 73 -10.431 -1.659 7.927 1.00 0.00 C ATOM 564 C TYR A 73 -11.084 -1.731 9.372 1.00 0.00 C ATOM 565 O TYR A 73 -11.684 -0.790 9.900 1.00 0.00 O ATOM 566 CB TYR A 73 -9.015 -1.074 8.210 1.00 0.00 C ATOM 567 CG TYR A 73 -7.984 -1.726 7.328 1.00 0.00 C ATOM 568 CD1 TYR A 73 -7.678 -3.058 7.591 1.00 0.00 C ATOM 569 CD2 TYR A 73 -7.374 -1.089 6.264 1.00 0.00 C ATOM 570 CE1 TYR A 73 -6.778 -3.760 6.818 1.00 0.00 C ATOM 571 CE2 TYR A 73 -6.479 -1.785 5.474 1.00 0.00 C ATOM 572 CZ TYR A 73 -6.160 -3.114 5.754 1.00 0.00 C ATOM 573 OH TYR A 73 -5.131 -3.727 5.121 1.00 0.00 O ATOM 0 H TYR A 73 -12.090 -0.457 7.607 1.00 0.00 H new ATOM 0 HA TYR A 73 -10.377 -2.607 7.391 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -9.020 0.002 8.038 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -8.755 -1.228 9.257 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -8.158 -3.554 8.422 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.595 -0.054 6.051 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.557 -4.794 7.036 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.020 -1.294 4.629 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.313 -3.625 5.651 1.00 0.00 H new ATOM 574 N SER A 74 -10.793 -2.887 9.975 1.00 0.00 N ATOM 575 CA SER A 74 -11.245 -3.300 11.336 1.00 0.00 C ATOM 576 C SER A 74 -10.475 -4.615 11.627 1.00 0.00 C ATOM 577 O SER A 74 -10.941 -5.713 11.304 1.00 0.00 O ATOM 578 CB SER A 74 -12.759 -3.499 11.180 1.00 0.00 C ATOM 579 OG SER A 74 -13.400 -3.907 12.371 1.00 0.00 O ATOM 0 H SER A 74 -10.216 -3.597 9.525 1.00 0.00 H new ATOM 0 HA SER A 74 -11.059 -2.605 12.155 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.207 -2.566 10.837 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.942 -4.244 10.405 1.00 0.00 H new ATOM 0 HG SER A 74 -14.360 -4.014 12.206 1.00 0.00 H new ATOM 580 N TYR A 75 -9.272 -4.535 12.194 1.00 0.00 N ATOM 581 CA TYR A 75 -8.199 -5.496 11.921 1.00 0.00 C ATOM 582 C TYR A 75 -7.713 -6.151 13.226 1.00 0.00 C ATOM 583 O TYR A 75 -8.459 -6.357 14.190 1.00 0.00 O ATOM 584 CB TYR A 75 -7.172 -4.639 11.093 1.00 0.00 C ATOM 585 CG TYR A 75 -6.490 -3.472 11.813 1.00 0.00 C ATOM 586 CD1 TYR A 75 -7.047 -2.191 11.952 1.00 0.00 C ATOM 587 CD2 TYR A 75 -5.323 -3.759 12.482 1.00 0.00 C ATOM 588 CE1 TYR A 75 -6.467 -1.271 12.830 1.00 0.00 C ATOM 589 CE2 TYR A 75 -4.725 -2.858 13.344 1.00 0.00 C ATOM 590 CZ TYR A 75 -5.293 -1.605 13.532 1.00 0.00 C ATOM 591 OH TYR A 75 -4.728 -0.708 14.388 1.00 0.00 O ATOM 0 H TYR A 75 -9.012 -3.803 12.855 1.00 0.00 H new ATOM 0 HA TYR A 75 -8.469 -6.379 11.342 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -6.395 -5.308 10.724 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.691 -4.241 10.221 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -7.922 -1.917 11.382 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -4.858 -4.721 12.329 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -6.921 -0.301 12.970 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.820 -3.128 13.869 1.00 0.00 H new ATOM 0 HH TYR A 75 -3.925 -1.100 14.790 1.00 0.00 H new ATOM 592 N SER A 76 -6.440 -6.540 13.182 1.00 0.00 N ATOM 593 CA SER A 76 -5.793 -7.430 14.150 1.00 0.00 C ATOM 594 C SER A 76 -4.213 -7.341 14.028 1.00 0.00 C ATOM 595 O SER A 76 -3.646 -6.310 13.670 1.00 0.00 O ATOM 596 CB SER A 76 -6.238 -8.828 13.613 1.00 0.00 C ATOM 597 OG SER A 76 -7.598 -9.143 13.848 1.00 0.00 O ATOM 0 H SER A 76 -5.805 -6.234 12.444 1.00 0.00 H new ATOM 0 HA SER A 76 -6.051 -7.208 15.186 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.049 -8.868 12.540 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.616 -9.595 14.074 1.00 0.00 H new ATOM 0 HG SER A 76 -7.796 -10.030 13.482 1.00 0.00 H new ATOM 598 N CYS A 77 -3.566 -8.440 14.437 1.00 0.00 N ATOM 599 CA CYS A 77 -2.216 -8.853 14.141 1.00 0.00 C ATOM 600 C CYS A 77 -2.092 -10.279 14.857 1.00 0.00 C ATOM 601 O CYS A 77 -2.467 -10.430 16.028 1.00 0.00 O ATOM 602 CB CYS A 77 -1.154 -7.966 14.693 1.00 0.00 C ATOM 603 SG CYS A 77 -0.971 -6.330 13.997 1.00 0.00 S ATOM 0 H CYS A 77 -4.032 -9.117 15.041 1.00 0.00 H new ATOM 0 HA CYS A 77 -2.062 -8.843 13.062 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -1.336 -7.854 15.762 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -0.200 -8.482 14.585 1.00 0.00 H new ATOM 604 N SER A 78 -1.506 -11.254 14.158 1.00 0.00 N ATOM 605 CA SER A 78 -1.253 -12.599 14.732 1.00 0.00 C ATOM 606 C SER A 78 0.257 -12.792 15.006 1.00 0.00 C ATOM 607 O SER A 78 0.794 -12.443 16.061 1.00 0.00 O ATOM 608 CB SER A 78 -2.039 -13.701 13.987 1.00 0.00 C ATOM 609 OG SER A 78 -3.444 -13.470 14.078 1.00 0.00 O ATOM 0 H SER A 78 -1.194 -11.148 13.193 1.00 0.00 H new ATOM 0 HA SER A 78 -1.681 -12.697 15.729 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.737 -13.725 12.940 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.798 -14.676 14.411 1.00 0.00 H new ATOM 0 HG SER A 78 -3.924 -14.178 13.599 1.00 0.00 H new ATOM 610 N ASN A 79 0.860 -13.350 13.987 1.00 0.00 N ATOM 611 CA ASN A 79 2.292 -13.702 13.892 1.00 0.00 C ATOM 612 C ASN A 79 3.187 -12.552 13.294 1.00 0.00 C ATOM 613 O ASN A 79 4.195 -12.152 13.875 1.00 0.00 O ATOM 614 CB ASN A 79 2.387 -14.979 12.990 1.00 0.00 C ATOM 615 CG ASN A 79 2.106 -16.316 13.675 1.00 0.00 C ATOM 616 OD1 ASN A 79 2.005 -16.437 14.897 1.00 0.00 O ATOM 617 ND2 ASN A 79 1.980 -17.370 12.888 1.00 0.00 N ATOM 0 H ASN A 79 0.350 -13.594 13.138 1.00 0.00 H new ATOM 0 HA ASN A 79 2.676 -13.875 14.897 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.687 -14.865 12.162 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.387 -15.019 12.559 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.798 -18.289 13.292 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.064 -17.265 11.877 1.00 0.00 H new ATOM 618 N THR A 80 2.763 -12.136 12.107 1.00 0.00 N ATOM 619 CA THR A 80 3.368 -11.112 11.195 1.00 0.00 C ATOM 620 C THR A 80 2.424 -11.199 9.909 1.00 0.00 C ATOM 621 O THR A 80 2.738 -11.685 8.822 1.00 0.00 O ATOM 622 CB THR A 80 4.870 -11.241 10.919 1.00 0.00 C ATOM 623 OG1 THR A 80 5.290 -10.228 10.011 1.00 0.00 O ATOM 624 CG2 THR A 80 5.316 -12.578 10.359 1.00 0.00 C ATOM 0 H THR A 80 1.913 -12.527 11.701 1.00 0.00 H new ATOM 0 HA THR A 80 3.385 -10.121 11.649 1.00 0.00 H new ATOM 0 HB THR A 80 5.334 -11.139 11.900 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.144 -9.347 10.414 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.394 -12.564 10.200 1.00 0.00 H new ATOM 0 HG22 THR A 80 5.063 -13.370 11.064 1.00 0.00 H new ATOM 0 HG23 THR A 80 4.812 -12.762 9.410 1.00 0.00 H new ATOM 625 N GLU A 81 1.233 -10.732 10.234 1.00 0.00 N ATOM 626 CA GLU A 81 -0.073 -11.074 9.662 1.00 0.00 C ATOM 627 C GLU A 81 -1.130 -10.470 10.640 1.00 0.00 C ATOM 628 O GLU A 81 -0.782 -10.009 11.721 1.00 0.00 O ATOM 629 CB GLU A 81 -0.371 -12.530 9.270 1.00 0.00 C ATOM 630 CG GLU A 81 -0.365 -13.437 10.454 1.00 0.00 C ATOM 631 CD GLU A 81 -0.879 -14.835 10.284 1.00 0.00 C ATOM 632 OE1 GLU A 81 -2.247 -14.895 10.366 1.00 0.00 O ATOM 633 OE2 GLU A 81 -0.149 -15.809 10.101 1.00 0.00 O ATOM 0 H GLU A 81 1.138 -10.037 10.975 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.099 -10.644 8.661 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.342 -12.582 8.778 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.371 -12.871 8.548 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.661 -13.502 10.817 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.951 -12.961 11.240 1.00 0.00 H new ATOM 634 N ILE A 82 -2.383 -10.482 10.190 1.00 0.00 N ATOM 635 CA ILE A 82 -3.504 -9.717 10.779 1.00 0.00 C ATOM 636 C ILE A 82 -4.836 -10.442 10.284 1.00 0.00 C ATOM 637 O ILE A 82 -5.139 -11.516 10.805 1.00 0.00 O ATOM 638 CB ILE A 82 -3.308 -8.228 10.384 1.00 0.00 C ATOM 639 CG1 ILE A 82 -2.024 -7.449 10.787 1.00 0.00 C ATOM 640 CG2 ILE A 82 -4.465 -7.260 10.527 1.00 0.00 C ATOM 641 CD1 ILE A 82 -0.961 -7.384 9.705 1.00 0.00 C ATOM 0 H ILE A 82 -2.665 -11.037 9.382 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.559 -9.703 11.867 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.199 -8.537 9.345 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.303 -6.433 11.066 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.594 -7.916 11.673 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.150 -6.267 10.206 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.298 -7.594 9.908 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.780 -7.222 11.570 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.102 -6.823 10.072 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.648 -8.394 9.441 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.368 -6.888 8.824 1.00 0.00 H new ATOM 642 N THR A 83 -5.604 -9.816 9.363 1.00 0.00 N ATOM 643 CA THR A 83 -6.954 -10.264 8.887 1.00 0.00 C ATOM 644 C THR A 83 -7.405 -9.254 7.769 1.00 0.00 C ATOM 645 O THR A 83 -7.010 -9.496 6.632 1.00 0.00 O ATOM 646 CB THR A 83 -8.001 -10.576 9.983 1.00 0.00 C ATOM 647 OG1 THR A 83 -9.150 -11.179 9.387 1.00 0.00 O ATOM 648 CG2 THR A 83 -8.451 -9.383 10.816 1.00 0.00 C ATOM 0 H THR A 83 -5.300 -8.955 8.909 1.00 0.00 H new ATOM 0 HA THR A 83 -6.868 -11.264 8.461 1.00 0.00 H new ATOM 0 HB THR A 83 -7.495 -11.249 10.675 1.00 0.00 H new ATOM 0 HG1 THR A 83 -9.812 -11.378 10.081 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.184 -9.710 11.554 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.591 -8.950 11.327 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.901 -8.634 10.165 1.00 0.00 H new ATOM 649 N CYS A 84 -8.286 -8.247 8.031 1.00 0.00 N ATOM 650 CA CYS A 84 -8.481 -7.032 7.234 1.00 0.00 C ATOM 651 C CYS A 84 -9.581 -6.237 7.993 1.00 0.00 C ATOM 652 O CYS A 84 -9.263 -5.451 8.876 1.00 0.00 O ATOM 653 CB CYS A 84 -8.595 -7.062 5.721 1.00 0.00 C ATOM 654 SG CYS A 84 -10.255 -7.353 5.102 1.00 0.00 S ATOM 0 H CYS A 84 -8.901 -8.276 8.844 1.00 0.00 H new ATOM 0 HA CYS A 84 -7.515 -6.530 7.182 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -8.234 -6.113 5.324 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -7.936 -7.840 5.335 1.00 0.00 H new ATOM 655 N ASN A 85 -10.857 -6.501 7.690 1.00 0.00 N ATOM 656 CA ASN A 85 -12.034 -5.863 8.303 1.00 0.00 C ATOM 657 C ASN A 85 -12.904 -6.917 9.052 1.00 0.00 C ATOM 658 O ASN A 85 -12.509 -8.081 9.199 1.00 0.00 O ATOM 659 CB ASN A 85 -12.741 -5.009 7.219 1.00 0.00 C ATOM 660 CG ASN A 85 -13.606 -5.674 6.144 1.00 0.00 C ATOM 661 OD1 ASN A 85 -14.495 -5.031 5.588 1.00 0.00 O ATOM 662 ND2 ASN A 85 -13.392 -6.942 5.815 1.00 0.00 N ATOM 0 H ASN A 85 -11.111 -7.192 6.984 1.00 0.00 H new ATOM 0 HA ASN A 85 -11.766 -5.165 9.096 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -13.372 -4.288 7.739 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -11.967 -4.441 6.703 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -13.966 -7.387 5.099 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -12.654 -7.472 6.279 1.00 0.00 H new ATOM 663 N SER A 86 -14.084 -6.510 9.554 1.00 0.00 N ATOM 664 CA SER A 86 -15.043 -7.449 10.204 1.00 0.00 C ATOM 665 C SER A 86 -16.514 -7.040 9.877 1.00 0.00 C ATOM 666 O SER A 86 -17.337 -6.865 10.782 1.00 0.00 O ATOM 667 CB SER A 86 -14.775 -7.511 11.730 1.00 0.00 C ATOM 668 OG SER A 86 -13.481 -8.034 12.021 1.00 0.00 O ATOM 0 H SER A 86 -14.404 -5.542 9.527 1.00 0.00 H new ATOM 0 HA SER A 86 -14.894 -8.452 9.805 1.00 0.00 H new ATOM 0 HB2 SER A 86 -14.867 -6.512 12.156 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.533 -8.132 12.207 1.00 0.00 H new ATOM 0 HG SER A 86 -13.027 -8.268 11.185 1.00 0.00 H new ATOM 669 N LYS A 87 -16.843 -6.919 8.571 1.00 0.00 N ATOM 670 CA LYS A 87 -18.169 -6.422 8.119 1.00 0.00 C ATOM 671 C LYS A 87 -18.515 -6.804 6.648 1.00 0.00 C ATOM 672 O LYS A 87 -19.529 -7.466 6.417 1.00 0.00 O ATOM 673 CB LYS A 87 -18.385 -4.923 8.435 1.00 0.00 C ATOM 674 CG LYS A 87 -17.373 -3.937 7.848 1.00 0.00 C ATOM 675 CD LYS A 87 -16.442 -3.297 8.883 1.00 0.00 C ATOM 676 CE LYS A 87 -15.586 -2.147 8.326 1.00 0.00 C ATOM 677 NZ LYS A 87 -16.364 -0.915 8.089 1.00 0.00 N ATOM 0 H LYS A 87 -16.210 -7.158 7.808 1.00 0.00 H new ATOM 0 HA LYS A 87 -18.902 -6.960 8.720 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -19.377 -4.642 8.081 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -18.387 -4.802 9.518 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.768 -4.455 7.104 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -17.914 -3.148 7.326 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -17.041 -2.922 9.713 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.782 -4.065 9.287 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -14.777 -1.931 9.024 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.124 -2.464 7.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.789 -0.240 7.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.225 -1.146 7.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.627 -0.490 9.001 1.00 0.00 H new ATOM 678 N ASN A 88 -17.690 -6.362 5.687 1.00 0.00 N ATOM 679 CA ASN A 88 -17.855 -6.601 4.240 1.00 0.00 C ATOM 680 C ASN A 88 -19.033 -5.889 3.507 1.00 0.00 C ATOM 681 O ASN A 88 -19.786 -5.092 4.069 1.00 0.00 O ATOM 682 CB ASN A 88 -17.352 -7.984 3.751 1.00 0.00 C ATOM 683 CG ASN A 88 -18.164 -9.211 4.124 1.00 0.00 C ATOM 684 OD1 ASN A 88 -17.927 -9.841 5.154 1.00 0.00 O ATOM 685 ND2 ASN A 88 -19.135 -9.590 3.309 1.00 0.00 N ATOM 0 H ASN A 88 -16.860 -5.809 5.900 1.00 0.00 H new ATOM 0 HA ASN A 88 -17.104 -5.958 3.781 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -17.282 -7.948 2.664 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -16.340 -8.125 4.132 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -19.696 -10.412 3.532 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -19.322 -9.060 2.458 1.00 0.00 H new ATOM 686 N ASN A 89 -19.025 -6.178 2.198 1.00 0.00 N ATOM 687 CA ASN A 89 -19.536 -5.349 1.076 1.00 0.00 C ATOM 688 C ASN A 89 -18.237 -4.684 0.555 1.00 0.00 C ATOM 689 O ASN A 89 -17.429 -4.140 1.311 1.00 0.00 O ATOM 690 CB ASN A 89 -20.704 -4.397 1.302 1.00 0.00 C ATOM 691 CG ASN A 89 -21.237 -3.662 0.069 1.00 0.00 C ATOM 692 OD1 ASN A 89 -20.690 -2.641 -0.344 1.00 0.00 O ATOM 693 ND2 ASN A 89 -22.315 -4.139 -0.532 1.00 0.00 N ATOM 0 H ASN A 89 -18.635 -7.059 1.862 1.00 0.00 H new ATOM 0 HA ASN A 89 -20.063 -5.977 0.357 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -21.525 -4.963 1.743 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -20.399 -3.652 2.037 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -22.700 -3.659 -1.346 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -22.761 -4.987 -0.182 1.00 0.00 H new ATOM 694 N ALA A 90 -18.063 -4.745 -0.761 1.00 0.00 N ATOM 695 CA ALA A 90 -16.799 -4.331 -1.423 1.00 0.00 C ATOM 696 C ALA A 90 -16.332 -2.880 -1.139 1.00 0.00 C ATOM 697 O ALA A 90 -15.144 -2.670 -0.915 1.00 0.00 O ATOM 698 CB ALA A 90 -16.780 -4.786 -2.881 1.00 0.00 C ATOM 0 H ALA A 90 -18.779 -5.078 -1.407 1.00 0.00 H new ATOM 0 HA ALA A 90 -15.990 -4.872 -0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -15.846 -4.473 -3.348 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -16.861 -5.872 -2.924 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -17.619 -4.338 -3.413 1.00 0.00 H new ATOM 699 N CYS A 91 -17.229 -1.886 -1.084 1.00 0.00 N ATOM 700 CA CYS A 91 -16.973 -0.565 -0.418 1.00 0.00 C ATOM 701 C CYS A 91 -15.874 -0.474 0.703 1.00 0.00 C ATOM 702 O CYS A 91 -14.985 0.371 0.621 1.00 0.00 O ATOM 703 CB CYS A 91 -18.327 -0.271 0.275 1.00 0.00 C ATOM 704 SG CYS A 91 -19.613 0.162 -0.903 1.00 0.00 S ATOM 0 H CYS A 91 -18.160 -1.958 -1.496 1.00 0.00 H new ATOM 0 HA CYS A 91 -16.602 0.113 -1.187 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -18.639 -1.146 0.845 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -18.199 0.544 0.987 1.00 0.00 H new ATOM 705 N GLU A 92 -15.991 -1.338 1.721 1.00 0.00 N ATOM 706 CA GLU A 92 -14.999 -1.522 2.783 1.00 0.00 C ATOM 707 C GLU A 92 -14.018 -2.681 2.485 1.00 0.00 C ATOM 708 O GLU A 92 -12.810 -2.447 2.440 1.00 0.00 O ATOM 709 CB GLU A 92 -15.651 -1.708 4.179 1.00 0.00 C ATOM 710 CG GLU A 92 -16.795 -2.716 4.293 1.00 0.00 C ATOM 711 CD GLU A 92 -18.169 -2.089 4.443 1.00 0.00 C ATOM 712 OE1 GLU A 92 -18.583 -1.592 5.489 1.00 0.00 O ATOM 713 OE2 GLU A 92 -18.882 -2.124 3.275 1.00 0.00 O ATOM 0 H GLU A 92 -16.804 -1.945 1.829 1.00 0.00 H new ATOM 0 HA GLU A 92 -14.422 -0.597 2.805 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -14.870 -2.005 4.879 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -16.023 -0.738 4.509 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -16.793 -3.351 3.407 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -16.609 -3.364 5.150 1.00 0.00 H new ATOM 714 N ALA A 93 -14.552 -3.909 2.330 1.00 0.00 N ATOM 715 CA ALA A 93 -13.751 -5.125 2.197 1.00 0.00 C ATOM 716 C ALA A 93 -12.956 -5.308 0.913 1.00 0.00 C ATOM 717 O ALA A 93 -11.942 -6.007 0.985 1.00 0.00 O ATOM 718 CB ALA A 93 -14.600 -6.381 2.371 1.00 0.00 C ATOM 0 H ALA A 93 -15.557 -4.077 2.294 1.00 0.00 H new ATOM 0 HA ALA A 93 -13.023 -4.985 2.996 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.970 -7.264 2.265 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -15.056 -6.377 3.361 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.381 -6.400 1.611 1.00 0.00 H new ATOM 719 N PHE A 94 -13.374 -4.744 -0.248 1.00 0.00 N ATOM 720 CA PHE A 94 -12.447 -4.767 -1.433 1.00 0.00 C ATOM 721 C PHE A 94 -11.202 -3.899 -1.169 1.00 0.00 C ATOM 722 O PHE A 94 -10.117 -4.267 -1.629 1.00 0.00 O ATOM 723 CB PHE A 94 -13.223 -4.488 -2.727 1.00 0.00 C ATOM 724 CG PHE A 94 -12.535 -3.926 -3.974 1.00 0.00 C ATOM 725 CD1 PHE A 94 -11.831 -2.716 -3.936 1.00 0.00 C ATOM 726 CD2 PHE A 94 -12.825 -4.478 -5.223 1.00 0.00 C ATOM 727 CE1 PHE A 94 -11.366 -2.109 -5.094 1.00 0.00 C ATOM 728 CE2 PHE A 94 -12.361 -3.877 -6.395 1.00 0.00 C ATOM 729 CZ PHE A 94 -11.622 -2.693 -6.324 1.00 0.00 C ATOM 0 H PHE A 94 -14.278 -4.295 -0.398 1.00 0.00 H new ATOM 0 HA PHE A 94 -12.036 -5.765 -1.585 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -13.693 -5.426 -3.022 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -14.026 -3.796 -2.471 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -11.646 -2.244 -2.983 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -13.415 -5.380 -5.284 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -10.808 -1.186 -5.037 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -12.573 -4.326 -7.354 1.00 0.00 H new ATOM 0 HZ PHE A 94 -11.250 -2.233 -7.228 1.00 0.00 H new ATOM 730 N ILE A 95 -11.369 -2.744 -0.486 1.00 0.00 N ATOM 731 CA ILE A 95 -10.231 -1.836 -0.213 1.00 0.00 C ATOM 732 C ILE A 95 -9.318 -2.463 0.877 1.00 0.00 C ATOM 733 O ILE A 95 -8.106 -2.479 0.666 1.00 0.00 O ATOM 734 CB ILE A 95 -10.731 -0.394 0.077 1.00 0.00 C ATOM 735 CG1 ILE A 95 -11.363 0.248 -1.191 1.00 0.00 C ATOM 736 CG2 ILE A 95 -9.549 0.530 0.471 1.00 0.00 C ATOM 737 CD1 ILE A 95 -12.807 -0.100 -1.535 1.00 0.00 C ATOM 0 H ILE A 95 -12.265 -2.422 -0.119 1.00 0.00 H new ATOM 0 HA ILE A 95 -9.601 -1.725 -1.095 1.00 0.00 H new ATOM 0 HB ILE A 95 -11.461 -0.480 0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.299 1.331 -1.082 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -10.743 -0.024 -2.045 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -9.923 1.534 0.669 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -9.065 0.140 1.366 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -8.828 0.566 -0.345 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -13.101 0.425 -2.444 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -12.895 -1.175 -1.693 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -13.459 0.201 -0.715 1.00 0.00 H new ATOM 738 N CYS A 96 -9.893 -3.028 1.967 1.00 0.00 N ATOM 739 CA CYS A 96 -9.154 -3.903 2.903 1.00 0.00 C ATOM 740 C CYS A 96 -8.364 -5.079 2.230 1.00 0.00 C ATOM 741 O CYS A 96 -7.296 -5.422 2.733 1.00 0.00 O ATOM 742 CB CYS A 96 -10.135 -4.447 3.978 1.00 0.00 C ATOM 743 SG CYS A 96 -10.646 -6.137 3.579 1.00 0.00 S ATOM 0 H CYS A 96 -10.872 -2.890 2.218 1.00 0.00 H new ATOM 0 HA CYS A 96 -8.384 -3.279 3.357 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -9.657 -4.428 4.957 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -11.011 -3.801 4.038 1.00 0.00 H new ATOM 744 N ASN A 97 -8.888 -5.674 1.126 1.00 0.00 N ATOM 745 CA ASN A 97 -8.199 -6.763 0.384 1.00 0.00 C ATOM 746 C ASN A 97 -6.991 -6.305 -0.451 1.00 0.00 C ATOM 747 O ASN A 97 -5.971 -6.995 -0.379 1.00 0.00 O ATOM 748 CB ASN A 97 -9.225 -7.487 -0.518 1.00 0.00 C ATOM 749 CG ASN A 97 -8.884 -8.927 -0.892 1.00 0.00 C ATOM 750 OD1 ASN A 97 -8.326 -9.697 -0.109 1.00 0.00 O ATOM 751 ND2 ASN A 97 -9.266 -9.344 -2.083 1.00 0.00 N ATOM 0 H ASN A 97 -9.791 -5.415 0.729 1.00 0.00 H new ATOM 0 HA ASN A 97 -7.789 -7.437 1.136 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.191 -7.482 -0.013 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -9.342 -6.912 -1.436 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -9.100 -10.311 -2.362 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.727 -8.700 -2.725 1.00 0.00 H new ATOM 752 N CYS A 98 -7.064 -5.192 -1.224 1.00 0.00 N ATOM 753 CA CYS A 98 -5.836 -4.645 -1.853 1.00 0.00 C ATOM 754 C CYS A 98 -4.808 -4.138 -0.804 1.00 0.00 C ATOM 755 O CYS A 98 -3.629 -4.441 -0.984 1.00 0.00 O ATOM 756 CB CYS A 98 -6.056 -3.636 -2.993 1.00 0.00 C ATOM 757 SG CYS A 98 -4.621 -3.854 -4.098 1.00 0.00 S ATOM 0 H CYS A 98 -7.921 -4.675 -1.421 1.00 0.00 H new ATOM 0 HA CYS A 98 -5.401 -5.509 -2.356 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -6.991 -3.831 -3.518 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -6.110 -2.616 -2.613 1.00 0.00 H new ATOM 758 N ASP A 99 -5.234 -3.461 0.296 1.00 0.00 N ATOM 759 CA ASP A 99 -4.340 -3.089 1.414 1.00 0.00 C ATOM 760 C ASP A 99 -3.627 -4.306 2.044 1.00 0.00 C ATOM 761 O ASP A 99 -2.418 -4.365 1.899 1.00 0.00 O ATOM 762 CB ASP A 99 -5.006 -2.237 2.494 1.00 0.00 C ATOM 763 CG ASP A 99 -5.316 -0.790 2.169 1.00 0.00 C ATOM 764 OD1 ASP A 99 -4.464 0.093 2.213 1.00 0.00 O ATOM 765 OD2 ASP A 99 -6.639 -0.573 1.915 1.00 0.00 O ATOM 0 H ASP A 99 -6.200 -3.162 0.427 1.00 0.00 H new ATOM 0 HA ASP A 99 -3.584 -2.459 0.945 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.940 -2.724 2.774 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.363 -2.251 3.374 1.00 0.00 H new ATOM 766 N ARG A 100 -4.340 -5.238 2.683 1.00 0.00 N ATOM 767 CA ARG A 100 -3.734 -6.470 3.227 1.00 0.00 C ATOM 768 C ARG A 100 -2.945 -7.384 2.263 1.00 0.00 C ATOM 769 O ARG A 100 -1.917 -7.877 2.719 1.00 0.00 O ATOM 770 CB ARG A 100 -4.798 -7.352 3.888 1.00 0.00 C ATOM 771 CG ARG A 100 -5.343 -6.890 5.223 1.00 0.00 C ATOM 772 CD ARG A 100 -4.441 -6.655 6.416 1.00 0.00 C ATOM 773 NE ARG A 100 -3.244 -7.461 6.553 1.00 0.00 N ATOM 774 CZ ARG A 100 -3.107 -8.795 6.584 1.00 0.00 C ATOM 775 NH1 ARG A 100 -4.094 -9.662 6.446 1.00 0.00 N ATOM 776 NH2 ARG A 100 -1.895 -9.276 6.760 1.00 0.00 N ATOM 0 H ARG A 100 -5.345 -5.167 2.840 1.00 0.00 H new ATOM 0 HA ARG A 100 -3.000 -6.059 3.920 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.635 -7.449 3.196 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.377 -8.349 4.021 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -5.874 -5.956 5.040 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -6.087 -7.624 5.531 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -4.135 -5.609 6.398 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.040 -6.796 7.316 1.00 0.00 H new ATOM 0 HE ARG A 100 -2.375 -6.934 6.639 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -5.048 -9.330 6.303 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -3.902 -10.663 6.482 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.105 -8.640 6.867 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.746 -10.285 6.790 1.00 0.00 H new ATOM 777 N ASN A 101 -3.362 -7.654 1.007 1.00 0.00 N ATOM 778 CA ASN A 101 -2.447 -8.382 0.069 1.00 0.00 C ATOM 779 C ASN A 101 -1.247 -7.484 -0.448 1.00 0.00 C ATOM 780 O ASN A 101 -0.316 -8.016 -1.054 1.00 0.00 O ATOM 781 CB ASN A 101 -3.228 -8.969 -1.125 1.00 0.00 C ATOM 782 CG ASN A 101 -4.173 -10.121 -0.770 1.00 0.00 C ATOM 783 OD1 ASN A 101 -3.675 -11.346 -0.729 1.00 0.00 O flip ATOM 784 ND2 ASN A 101 -5.362 -9.917 -0.528 1.00 0.00 N flip ATOM 0 H ASN A 101 -4.273 -7.400 0.624 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.010 -9.198 0.645 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -3.808 -8.171 -1.589 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -2.515 -9.319 -1.871 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.734 -8.968 -0.563 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -5.976 -10.697 -0.292 1.00 0.00 H new ATOM 785 N ALA A 102 -1.283 -6.173 -0.160 1.00 0.00 N ATOM 786 CA ALA A 102 -0.118 -5.291 -0.155 1.00 0.00 C ATOM 787 C ALA A 102 0.598 -5.254 1.234 1.00 0.00 C ATOM 788 O ALA A 102 1.788 -5.013 1.182 1.00 0.00 O ATOM 789 CB ALA A 102 -0.512 -3.920 -0.693 1.00 0.00 C ATOM 0 H ALA A 102 -2.149 -5.690 0.081 1.00 0.00 H new ATOM 0 HA ALA A 102 0.638 -5.695 -0.828 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.358 -3.264 -0.688 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.884 -4.022 -1.712 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.292 -3.492 -0.063 1.00 0.00 H new ATOM 790 N ALA A 103 0.002 -5.514 2.440 1.00 0.00 N ATOM 791 CA ALA A 103 0.802 -5.821 3.695 1.00 0.00 C ATOM 792 C ALA A 103 1.788 -7.033 3.589 1.00 0.00 C ATOM 793 O ALA A 103 2.865 -7.048 4.174 1.00 0.00 O ATOM 794 CB ALA A 103 -0.140 -5.987 4.894 1.00 0.00 C ATOM 0 H ALA A 103 -1.008 -5.520 2.580 1.00 0.00 H new ATOM 0 HA ALA A 103 1.451 -4.957 3.837 1.00 0.00 H new ATOM 0 HB1 ALA A 103 0.444 -6.207 5.788 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.702 -5.066 5.045 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.832 -6.807 4.702 1.00 0.00 H new ATOM 795 N ILE A 104 1.340 -7.965 2.779 1.00 0.00 N ATOM 796 CA ILE A 104 2.009 -9.142 2.191 1.00 0.00 C ATOM 797 C ILE A 104 3.040 -8.642 1.199 1.00 0.00 C ATOM 798 O ILE A 104 4.218 -8.687 1.501 1.00 0.00 O ATOM 799 CB ILE A 104 0.782 -9.900 1.571 1.00 0.00 C ATOM 800 CG1 ILE A 104 -0.071 -10.717 2.568 1.00 0.00 C ATOM 801 CG2 ILE A 104 0.965 -10.755 0.310 1.00 0.00 C ATOM 802 CD1 ILE A 104 -0.124 -10.192 3.988 1.00 0.00 C ATOM 0 H ILE A 104 0.370 -7.925 2.466 1.00 0.00 H new ATOM 0 HA ILE A 104 2.573 -9.798 2.854 1.00 0.00 H new ATOM 0 HB ILE A 104 0.261 -9.000 1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.090 -10.771 2.184 1.00 0.00 H new ATOM 0 HG13 ILE A 104 0.314 -11.736 2.594 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.010 -11.200 0.030 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.326 -10.128 -0.505 1.00 0.00 H new ATOM 0 HG23 ILE A 104 1.689 -11.545 0.508 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.751 -10.846 4.594 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.883 -10.166 4.404 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -0.542 -9.186 3.988 1.00 0.00 H new ATOM 803 N CYS A 105 2.638 -8.093 0.055 1.00 0.00 N ATOM 804 CA CYS A 105 3.626 -7.585 -0.943 1.00 0.00 C ATOM 805 C CYS A 105 4.744 -6.630 -0.367 1.00 0.00 C ATOM 806 O CYS A 105 5.875 -6.625 -0.836 1.00 0.00 O ATOM 807 CB CYS A 105 2.940 -6.779 -2.067 1.00 0.00 C ATOM 808 SG CYS A 105 3.915 -6.885 -3.577 1.00 0.00 S ATOM 0 H CYS A 105 1.661 -7.982 -0.217 1.00 0.00 H new ATOM 0 HA CYS A 105 4.091 -8.504 -1.299 1.00 0.00 H new ATOM 0 HB2 CYS A 105 1.936 -7.166 -2.244 1.00 0.00 H new ATOM 0 HB3 CYS A 105 2.832 -5.737 -1.766 1.00 0.00 H new ATOM 809 N PHE A 106 4.372 -5.896 0.674 1.00 0.00 N ATOM 810 CA PHE A 106 5.268 -4.988 1.411 1.00 0.00 C ATOM 811 C PHE A 106 6.064 -5.636 2.524 1.00 0.00 C ATOM 812 O PHE A 106 7.194 -5.208 2.760 1.00 0.00 O ATOM 813 CB PHE A 106 4.446 -3.785 1.839 1.00 0.00 C ATOM 814 CG PHE A 106 3.992 -2.908 0.629 1.00 0.00 C ATOM 815 CD1 PHE A 106 4.544 -2.910 -0.703 1.00 0.00 C ATOM 816 CD2 PHE A 106 2.797 -2.248 0.837 1.00 0.00 C ATOM 817 CE1 PHE A 106 3.907 -2.217 -1.728 1.00 0.00 C ATOM 818 CE2 PHE A 106 2.131 -1.635 -0.211 1.00 0.00 C ATOM 819 CZ PHE A 106 2.696 -1.593 -1.480 1.00 0.00 C ATOM 0 H PHE A 106 3.422 -5.909 1.044 1.00 0.00 H new ATOM 0 HA PHE A 106 6.069 -4.664 0.747 1.00 0.00 H new ATOM 0 HB2 PHE A 106 3.567 -4.126 2.386 1.00 0.00 H new ATOM 0 HB3 PHE A 106 5.032 -3.175 2.526 1.00 0.00 H new ATOM 0 HD1 PHE A 106 5.456 -3.452 -0.906 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.376 -2.209 1.831 1.00 0.00 H new ATOM 0 HE1 PHE A 106 4.354 -2.166 -2.710 1.00 0.00 H new ATOM 0 HE2 PHE A 106 1.164 -1.186 -0.041 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.188 -1.071 -2.277 1.00 0.00 H new ATOM 820 N SER A 107 5.549 -6.670 3.193 1.00 0.00 N ATOM 821 CA SER A 107 6.439 -7.510 4.020 1.00 0.00 C ATOM 822 C SER A 107 7.423 -8.422 3.224 1.00 0.00 C ATOM 823 O SER A 107 8.498 -8.730 3.745 1.00 0.00 O ATOM 824 CB SER A 107 5.591 -8.340 5.004 1.00 0.00 C ATOM 825 OG SER A 107 6.334 -9.358 5.675 1.00 0.00 O ATOM 0 H SER A 107 4.566 -6.944 3.187 1.00 0.00 H new ATOM 0 HA SER A 107 7.089 -6.820 4.558 1.00 0.00 H new ATOM 0 HB2 SER A 107 5.152 -7.673 5.746 1.00 0.00 H new ATOM 0 HB3 SER A 107 4.766 -8.801 4.461 1.00 0.00 H new ATOM 0 HG SER A 107 6.504 -9.083 6.600 1.00 0.00 H new ATOM 826 N LYS A 108 7.031 -8.874 2.015 1.00 0.00 N ATOM 827 CA LYS A 108 7.520 -10.146 1.470 1.00 0.00 C ATOM 828 C LYS A 108 7.606 -10.340 -0.070 1.00 0.00 C ATOM 829 O LYS A 108 7.970 -11.446 -0.489 1.00 0.00 O ATOM 830 CB LYS A 108 6.793 -11.330 2.159 1.00 0.00 C ATOM 831 CG LYS A 108 5.354 -11.202 2.644 1.00 0.00 C ATOM 832 CD LYS A 108 4.246 -11.852 1.815 1.00 0.00 C ATOM 833 CE LYS A 108 4.608 -12.988 0.857 1.00 0.00 C ATOM 834 NZ LYS A 108 3.433 -13.735 0.375 1.00 0.00 N ATOM 0 H LYS A 108 6.382 -8.377 1.405 1.00 0.00 H new ATOM 0 HA LYS A 108 8.581 -10.115 1.719 1.00 0.00 H new ATOM 0 HB2 LYS A 108 6.820 -12.168 1.462 1.00 0.00 H new ATOM 0 HB3 LYS A 108 7.395 -11.613 3.022 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.304 -11.620 3.650 1.00 0.00 H new ATOM 0 HG3 LYS A 108 5.126 -10.140 2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.496 -12.232 2.508 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.769 -11.066 1.229 1.00 0.00 H new ATOM 0 HE2 LYS A 108 5.145 -12.577 0.002 1.00 0.00 H new ATOM 0 HE3 LYS A 108 5.287 -13.676 1.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.746 -14.606 -0.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.823 -13.980 1.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.899 -13.147 -0.297 1.00 0.00 H new ATOM 835 N ALA A 109 7.392 -9.308 -0.907 1.00 0.00 N ATOM 836 CA ALA A 109 7.775 -9.374 -2.345 1.00 0.00 C ATOM 837 C ALA A 109 9.281 -9.819 -2.610 1.00 0.00 C ATOM 838 O ALA A 109 10.044 -10.002 -1.658 1.00 0.00 O ATOM 839 CB ALA A 109 7.717 -7.943 -2.950 1.00 0.00 C ATOM 0 H ALA A 109 6.963 -8.427 -0.626 1.00 0.00 H new ATOM 0 HA ALA A 109 7.086 -10.099 -2.779 1.00 0.00 H new ATOM 0 HB1 ALA A 109 7.996 -7.982 -4.003 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.705 -7.549 -2.857 1.00 0.00 H new ATOM 0 HB3 ALA A 109 8.409 -7.293 -2.415 1.00 0.00 H new ATOM 840 N PRO A 110 9.721 -9.911 -3.880 1.00 0.00 N ATOM 841 CA PRO A 110 11.190 -9.924 -4.299 1.00 0.00 C ATOM 842 C PRO A 110 11.864 -8.547 -4.092 1.00 0.00 C ATOM 843 O PRO A 110 12.165 -7.726 -4.963 1.00 0.00 O ATOM 844 CB PRO A 110 11.061 -10.280 -5.794 1.00 0.00 C ATOM 845 CG PRO A 110 9.813 -11.172 -5.763 1.00 0.00 C ATOM 846 CD PRO A 110 8.835 -10.294 -4.984 1.00 0.00 C ATOM 0 HA PRO A 110 11.814 -10.608 -3.724 1.00 0.00 H new ATOM 0 HB2 PRO A 110 10.925 -9.398 -6.420 1.00 0.00 H new ATOM 0 HB3 PRO A 110 11.937 -10.806 -6.172 1.00 0.00 H new ATOM 0 HG2 PRO A 110 9.449 -11.404 -6.764 1.00 0.00 H new ATOM 0 HG3 PRO A 110 10.000 -12.122 -5.263 1.00 0.00 H new ATOM 0 HD2 PRO A 110 8.483 -9.439 -5.560 1.00 0.00 H new ATOM 0 HD3 PRO A 110 7.952 -10.838 -4.649 1.00 0.00 H new ATOM 847 N TYR A 111 12.016 -8.422 -2.797 1.00 0.00 N ATOM 848 CA TYR A 111 12.322 -7.170 -2.091 1.00 0.00 C ATOM 849 C TYR A 111 13.756 -6.603 -2.366 1.00 0.00 C ATOM 850 O TYR A 111 14.653 -7.404 -2.651 1.00 0.00 O ATOM 851 CB TYR A 111 12.380 -7.628 -0.570 1.00 0.00 C ATOM 852 CG TYR A 111 11.729 -6.642 0.354 1.00 0.00 C ATOM 853 CD1 TYR A 111 10.360 -6.765 0.414 1.00 0.00 C ATOM 854 CD2 TYR A 111 12.366 -5.547 0.988 1.00 0.00 C ATOM 855 CE1 TYR A 111 9.600 -5.785 1.019 1.00 0.00 C ATOM 856 CE2 TYR A 111 11.594 -4.616 1.683 1.00 0.00 C ATOM 857 CZ TYR A 111 10.206 -4.735 1.703 1.00 0.00 C ATOM 858 OH TYR A 111 9.483 -3.738 2.272 1.00 0.00 O ATOM 0 H TYR A 111 11.929 -9.217 -2.164 1.00 0.00 H new ATOM 0 HA TYR A 111 11.597 -6.411 -2.384 1.00 0.00 H new ATOM 0 HB2 TYR A 111 11.889 -8.596 -0.467 1.00 0.00 H new ATOM 0 HB3 TYR A 111 13.420 -7.765 -0.275 1.00 0.00 H new ATOM 0 HD1 TYR A 111 9.878 -7.632 -0.014 1.00 0.00 H new ATOM 0 HD2 TYR A 111 13.439 -5.434 0.934 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.523 -5.833 0.961 1.00 0.00 H new ATOM 0 HE2 TYR A 111 12.073 -3.802 2.206 1.00 0.00 H new ATOM 0 HH TYR A 111 8.634 -4.098 2.605 1.00 0.00 H new ATOM 859 N ASN A 112 14.007 -5.291 -2.186 1.00 0.00 N ATOM 860 CA ASN A 112 15.398 -4.764 -2.102 1.00 0.00 C ATOM 861 C ASN A 112 15.343 -3.412 -1.337 1.00 0.00 C ATOM 862 O ASN A 112 15.083 -2.350 -1.901 1.00 0.00 O ATOM 863 CB ASN A 112 16.127 -4.575 -3.452 1.00 0.00 C ATOM 864 CG ASN A 112 16.739 -5.824 -4.076 1.00 0.00 C ATOM 865 OD1 ASN A 112 17.651 -6.432 -3.517 1.00 0.00 O ATOM 866 ND2 ASN A 112 16.270 -6.234 -5.243 1.00 0.00 N ATOM 0 H ASN A 112 13.281 -4.580 -2.096 1.00 0.00 H new ATOM 0 HA ASN A 112 15.987 -5.520 -1.584 1.00 0.00 H new ATOM 0 HB2 ASN A 112 15.420 -4.149 -4.164 1.00 0.00 H new ATOM 0 HB3 ASN A 112 16.920 -3.840 -3.311 1.00 0.00 H new ATOM 0 HD21 ASN A 112 16.665 -7.062 -5.689 1.00 0.00 H new ATOM 0 HD22 ASN A 112 15.514 -5.722 -5.697 1.00 0.00 H new ATOM 867 N LYS A 113 15.705 -3.492 -0.056 1.00 0.00 N ATOM 868 CA LYS A 113 15.656 -2.385 0.928 1.00 0.00 C ATOM 869 C LYS A 113 16.887 -1.508 1.112 1.00 0.00 C ATOM 870 O LYS A 113 17.507 -1.335 2.162 1.00 0.00 O ATOM 871 CB LYS A 113 15.082 -3.008 2.184 1.00 0.00 C ATOM 872 CG LYS A 113 15.772 -4.217 2.831 1.00 0.00 C ATOM 873 CD LYS A 113 17.232 -4.142 3.252 1.00 0.00 C ATOM 874 CE LYS A 113 18.221 -4.597 2.168 1.00 0.00 C ATOM 875 NZ LYS A 113 19.615 -4.505 2.635 1.00 0.00 N ATOM 0 H LYS A 113 16.056 -4.359 0.351 1.00 0.00 H new ATOM 0 HA LYS A 113 15.023 -1.588 0.537 1.00 0.00 H new ATOM 0 HB2 LYS A 113 15.030 -2.224 2.939 1.00 0.00 H new ATOM 0 HB3 LYS A 113 14.057 -3.303 1.959 1.00 0.00 H new ATOM 0 HG2 LYS A 113 15.195 -4.479 3.718 1.00 0.00 H new ATOM 0 HG3 LYS A 113 15.681 -5.050 2.134 1.00 0.00 H new ATOM 0 HD2 LYS A 113 17.465 -3.115 3.534 1.00 0.00 H new ATOM 0 HD3 LYS A 113 17.375 -4.757 4.141 1.00 0.00 H new ATOM 0 HE2 LYS A 113 18.000 -5.625 1.881 1.00 0.00 H new ATOM 0 HE3 LYS A 113 18.094 -3.982 1.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 20.256 -4.820 1.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 19.833 -3.519 2.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 19.742 -5.111 3.471 1.00 0.00 H new ATOM 876 N GLU A 114 17.199 -0.874 -0.005 1.00 0.00 N ATOM 877 CA GLU A 114 18.600 -0.799 -0.440 1.00 0.00 C ATOM 878 C GLU A 114 18.707 0.500 -1.240 1.00 0.00 C ATOM 879 O GLU A 114 19.442 1.412 -0.855 1.00 0.00 O ATOM 880 CB GLU A 114 18.804 -2.243 -0.984 1.00 0.00 C ATOM 881 CG GLU A 114 19.522 -2.351 -2.276 1.00 0.00 C ATOM 882 CD GLU A 114 21.019 -2.196 -2.273 1.00 0.00 C ATOM 883 OE1 GLU A 114 21.793 -3.093 -1.941 1.00 0.00 O ATOM 884 OE2 GLU A 114 21.412 -0.947 -2.684 1.00 0.00 O ATOM 0 H GLU A 114 16.528 -0.412 -0.619 1.00 0.00 H new ATOM 0 HA GLU A 114 19.457 -0.652 0.217 1.00 0.00 H new ATOM 0 HB2 GLU A 114 19.351 -2.818 -0.237 1.00 0.00 H new ATOM 0 HB3 GLU A 114 17.826 -2.711 -1.093 1.00 0.00 H new ATOM 0 HG2 GLU A 114 19.289 -3.325 -2.706 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.111 -1.599 -2.949 1.00 0.00 H new ATOM 885 N HIS A 115 17.894 0.592 -2.313 1.00 0.00 N ATOM 886 CA HIS A 115 17.465 1.841 -2.938 1.00 0.00 C ATOM 887 C HIS A 115 16.116 2.129 -2.173 1.00 0.00 C ATOM 888 O HIS A 115 15.034 1.670 -2.523 1.00 0.00 O ATOM 889 CB HIS A 115 17.447 1.667 -4.487 1.00 0.00 C ATOM 890 CG HIS A 115 16.479 0.671 -5.105 1.00 0.00 C ATOM 891 ND1 HIS A 115 15.130 0.937 -5.147 1.00 0.00 N ATOM 892 CD2 HIS A 115 16.699 -0.696 -4.911 1.00 0.00 C ATOM 893 CE1 HIS A 115 14.667 -0.286 -4.729 1.00 0.00 C ATOM 894 NE2 HIS A 115 15.514 -1.360 -4.719 1.00 0.00 N ATOM 0 H HIS A 115 17.511 -0.232 -2.776 1.00 0.00 H new ATOM 0 HA HIS A 115 18.106 2.718 -2.847 1.00 0.00 H new ATOM 0 HB2 HIS A 115 17.240 2.643 -4.925 1.00 0.00 H new ATOM 0 HB3 HIS A 115 18.453 1.385 -4.798 1.00 0.00 H new ATOM 0 HD1 HIS A 115 14.627 1.785 -5.409 1.00 0.00 H new ATOM 0 HD2 HIS A 115 17.671 -1.166 -4.912 1.00 0.00 H new ATOM 0 HE1 HIS A 115 13.641 -0.399 -4.410 1.00 0.00 H new ATOM 895 N LYS A 116 16.192 2.882 -1.080 1.00 0.00 N ATOM 896 CA LYS A 116 15.012 3.175 -0.176 1.00 0.00 C ATOM 897 C LYS A 116 14.593 4.607 0.177 1.00 0.00 C ATOM 898 O LYS A 116 13.481 4.932 0.595 1.00 0.00 O ATOM 899 CB LYS A 116 15.143 2.290 1.052 1.00 0.00 C ATOM 900 CG LYS A 116 15.996 2.824 2.186 1.00 0.00 C ATOM 901 CD LYS A 116 17.442 3.005 1.757 1.00 0.00 C ATOM 902 CE LYS A 116 18.373 3.502 2.855 1.00 0.00 C ATOM 903 NZ LYS A 116 18.941 2.437 3.700 1.00 0.00 N ATOM 0 H LYS A 116 17.059 3.320 -0.769 1.00 0.00 H new ATOM 0 HA LYS A 116 14.158 2.947 -0.814 1.00 0.00 H new ATOM 0 HB2 LYS A 116 14.143 2.096 1.440 1.00 0.00 H new ATOM 0 HB3 LYS A 116 15.555 1.331 0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 116 15.594 3.778 2.527 1.00 0.00 H new ATOM 0 HG3 LYS A 116 15.949 2.138 3.032 1.00 0.00 H new ATOM 0 HD2 LYS A 116 17.818 2.052 1.384 1.00 0.00 H new ATOM 0 HD3 LYS A 116 17.475 3.709 0.925 1.00 0.00 H new ATOM 0 HE2 LYS A 116 19.190 4.060 2.397 1.00 0.00 H new ATOM 0 HE3 LYS A 116 17.827 4.200 3.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 19.561 2.859 4.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 18.171 1.917 4.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 19.492 1.782 3.109 1.00 0.00 H new ATOM 904 N ASN A 117 15.657 5.351 0.090 1.00 0.00 N ATOM 905 CA ASN A 117 15.827 6.751 0.507 1.00 0.00 C ATOM 906 C ASN A 117 15.907 7.726 -0.694 1.00 0.00 C ATOM 907 O ASN A 117 16.447 8.830 -0.590 1.00 0.00 O ATOM 908 CB ASN A 117 17.138 6.627 1.315 1.00 0.00 C ATOM 909 CG ASN A 117 17.570 7.818 2.150 1.00 0.00 C ATOM 910 OD1 ASN A 117 18.397 8.626 1.728 1.00 0.00 O ATOM 911 ND2 ASN A 117 17.036 7.963 3.353 1.00 0.00 N ATOM 0 H ASN A 117 16.518 4.977 -0.309 1.00 0.00 H new ATOM 0 HA ASN A 117 14.998 7.176 1.073 1.00 0.00 H new ATOM 0 HB2 ASN A 117 17.041 5.769 1.980 1.00 0.00 H new ATOM 0 HB3 ASN A 117 17.942 6.399 0.615 1.00 0.00 H new ATOM 0 HD21 ASN A 117 17.309 8.751 3.941 1.00 0.00 H new ATOM 0 HD22 ASN A 117 16.352 7.287 3.692 1.00 0.00 H new ATOM 912 N LEU A 118 15.328 7.257 -1.815 1.00 0.00 N ATOM 913 CA LEU A 118 15.394 7.914 -3.129 1.00 0.00 C ATOM 914 C LEU A 118 14.701 9.313 -3.193 1.00 0.00 C ATOM 915 O LEU A 118 14.419 9.985 -2.197 1.00 0.00 O ATOM 916 CB LEU A 118 15.037 6.917 -4.251 1.00 0.00 C ATOM 917 CG LEU A 118 16.110 5.901 -4.582 1.00 0.00 C ATOM 918 CD1 LEU A 118 16.306 4.817 -3.596 1.00 0.00 C ATOM 919 CD2 LEU A 118 15.930 5.083 -5.860 1.00 0.00 C ATOM 0 H LEU A 118 14.790 6.391 -1.830 1.00 0.00 H new ATOM 0 HA LEU A 118 16.431 8.199 -3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 118 14.131 6.383 -3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 118 14.803 7.481 -5.154 1.00 0.00 H new ATOM 0 HG LEU A 118 16.935 6.611 -4.640 1.00 0.00 H new ATOM 0 HD11 LEU A 118 17.098 4.152 -3.939 1.00 0.00 H new ATOM 0 HD12 LEU A 118 16.584 5.246 -2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 118 15.380 4.252 -3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 118 16.769 4.396 -5.974 1.00 0.00 H new ATOM 0 HD22 LEU A 118 15.002 4.515 -5.801 1.00 0.00 H new ATOM 0 HD23 LEU A 118 15.891 5.753 -6.719 1.00 0.00 H new ATOM 920 N ASP A 119 14.585 9.777 -4.433 1.00 0.00 N ATOM 921 CA ASP A 119 14.782 11.195 -4.791 1.00 0.00 C ATOM 922 C ASP A 119 14.152 11.591 -6.140 1.00 0.00 C ATOM 923 O ASP A 119 13.526 12.649 -6.247 1.00 0.00 O ATOM 924 CB ASP A 119 16.306 11.429 -4.725 1.00 0.00 C ATOM 925 CG ASP A 119 16.778 12.726 -4.112 1.00 0.00 C ATOM 926 OD1 ASP A 119 16.038 13.667 -3.821 1.00 0.00 O ATOM 927 OD2 ASP A 119 18.132 12.724 -3.904 1.00 0.00 O ATOM 0 H ASP A 119 14.351 9.184 -5.229 1.00 0.00 H new ATOM 0 HA ASP A 119 14.256 11.847 -4.094 1.00 0.00 H new ATOM 0 HB2 ASP A 119 16.750 10.608 -4.162 1.00 0.00 H new ATOM 0 HB3 ASP A 119 16.701 11.371 -5.739 1.00 0.00 H new ATOM 928 N THR A 120 14.264 10.691 -7.115 1.00 0.00 N ATOM 929 CA THR A 120 13.409 10.621 -8.315 1.00 0.00 C ATOM 930 C THR A 120 14.033 11.387 -9.475 1.00 0.00 C ATOM 931 O THR A 120 13.365 12.205 -10.115 1.00 0.00 O ATOM 932 CB THR A 120 11.871 10.718 -8.055 1.00 0.00 C ATOM 933 OG1 THR A 120 11.393 12.057 -7.991 1.00 0.00 O ATOM 934 CG2 THR A 120 11.469 9.971 -6.762 1.00 0.00 C ATOM 0 H THR A 120 14.976 9.961 -7.098 1.00 0.00 H new ATOM 0 HA THR A 120 13.401 9.594 -8.681 1.00 0.00 H new ATOM 0 HB THR A 120 11.403 10.241 -8.916 1.00 0.00 H new ATOM 0 HG1 THR A 120 11.963 12.580 -7.389 1.00 0.00 H new ATOM 0 HG21 THR A 120 10.393 10.058 -6.611 1.00 0.00 H new ATOM 0 HG22 THR A 120 11.739 8.919 -6.851 1.00 0.00 H new ATOM 0 HG23 THR A 120 11.991 10.409 -5.911 1.00 0.00 H new ATOM 935 N LYS A 121 15.340 11.113 -9.750 1.00 0.00 N ATOM 936 CA LYS A 121 16.107 11.862 -10.809 1.00 0.00 C ATOM 937 C LYS A 121 17.103 10.857 -11.482 1.00 0.00 C ATOM 938 O LYS A 121 16.954 10.432 -12.628 1.00 0.00 O ATOM 939 CB LYS A 121 16.836 13.035 -10.112 1.00 0.00 C ATOM 940 CG LYS A 121 15.905 14.064 -9.472 1.00 0.00 C ATOM 941 CD LYS A 121 16.614 14.950 -8.450 1.00 0.00 C ATOM 942 CE LYS A 121 16.907 14.166 -7.150 1.00 0.00 C ATOM 943 NZ LYS A 121 17.658 15.031 -6.222 1.00 0.00 N ATOM 0 H LYS A 121 15.882 10.396 -9.269 1.00 0.00 H new ATOM 0 HA LYS A 121 15.464 12.271 -11.588 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.496 12.632 -9.344 1.00 0.00 H new ATOM 0 HB3 LYS A 121 17.468 13.540 -10.842 1.00 0.00 H new ATOM 0 HG2 LYS A 121 15.473 14.691 -10.252 1.00 0.00 H new ATOM 0 HG3 LYS A 121 15.078 13.546 -8.985 1.00 0.00 H new ATOM 0 HD2 LYS A 121 17.547 15.324 -8.872 1.00 0.00 H new ATOM 0 HD3 LYS A 121 15.995 15.819 -8.224 1.00 0.00 H new ATOM 0 HE2 LYS A 121 15.974 13.841 -6.689 1.00 0.00 H new ATOM 0 HE3 LYS A 121 17.482 13.267 -7.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 18.597 14.619 -6.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 17.767 15.977 -6.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 17.140 15.108 -5.323 1.00 0.00 H new ATOM 944 N LYS A 122 18.013 10.434 -10.616 1.00 0.00 N ATOM 945 CA LYS A 122 18.780 9.195 -10.636 1.00 0.00 C ATOM 946 C LYS A 122 17.865 7.889 -10.675 1.00 0.00 C ATOM 947 O LYS A 122 17.986 6.990 -11.503 1.00 0.00 O ATOM 948 CB LYS A 122 19.345 9.365 -9.141 1.00 0.00 C ATOM 949 CG LYS A 122 20.634 10.096 -9.003 1.00 0.00 C ATOM 950 CD LYS A 122 20.970 10.595 -7.605 1.00 0.00 C ATOM 951 CE LYS A 122 20.150 11.837 -7.228 1.00 0.00 C ATOM 952 NZ LYS A 122 20.562 12.390 -5.927 1.00 0.00 N ATOM 0 H LYS A 122 18.256 11.003 -9.805 1.00 0.00 H new ATOM 0 HA LYS A 122 19.464 9.070 -11.476 1.00 0.00 H new ATOM 0 HB2 LYS A 122 18.592 9.884 -8.548 1.00 0.00 H new ATOM 0 HB3 LYS A 122 19.466 8.373 -8.706 1.00 0.00 H new ATOM 0 HG2 LYS A 122 21.438 9.441 -9.337 1.00 0.00 H new ATOM 0 HG3 LYS A 122 20.618 10.951 -9.679 1.00 0.00 H new ATOM 0 HD2 LYS A 122 20.781 9.802 -6.881 1.00 0.00 H new ATOM 0 HD3 LYS A 122 22.033 10.831 -7.549 1.00 0.00 H new ATOM 0 HE2 LYS A 122 20.267 12.598 -8.000 1.00 0.00 H new ATOM 0 HE3 LYS A 122 19.092 11.577 -7.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 19.738 12.442 -5.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 21.285 11.775 -5.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 20.955 13.343 -6.064 1.00 0.00 H new ATOM 953 N TYR A 123 16.947 7.977 -9.735 1.00 0.00 N ATOM 954 CA TYR A 123 15.905 7.066 -9.262 1.00 0.00 C ATOM 955 C TYR A 123 14.589 7.115 -10.035 1.00 0.00 C ATOM 956 O TYR A 123 13.989 6.048 -10.189 1.00 0.00 O ATOM 957 CB TYR A 123 15.962 7.762 -7.852 1.00 0.00 C ATOM 958 CG TYR A 123 17.287 7.543 -7.022 1.00 0.00 C ATOM 959 CD1 TYR A 123 18.288 6.602 -7.343 1.00 0.00 C ATOM 960 CD2 TYR A 123 17.554 8.461 -6.039 1.00 0.00 C ATOM 961 CE1 TYR A 123 19.535 6.681 -6.745 1.00 0.00 C ATOM 962 CE2 TYR A 123 18.790 8.512 -5.416 1.00 0.00 C ATOM 963 CZ TYR A 123 19.793 7.619 -5.760 1.00 0.00 C ATOM 964 OH TYR A 123 21.052 7.761 -5.252 1.00 0.00 O ATOM 0 H TYR A 123 16.905 8.837 -9.189 1.00 0.00 H new ATOM 0 HA TYR A 123 16.017 5.984 -9.328 1.00 0.00 H new ATOM 0 HB2 TYR A 123 15.818 8.833 -7.992 1.00 0.00 H new ATOM 0 HB3 TYR A 123 15.122 7.403 -7.258 1.00 0.00 H new ATOM 0 HD1 TYR A 123 18.082 5.818 -8.057 1.00 0.00 H new ATOM 0 HD2 TYR A 123 16.784 9.159 -5.744 1.00 0.00 H new ATOM 0 HE1 TYR A 123 20.317 6.002 -7.051 1.00 0.00 H new ATOM 0 HE2 TYR A 123 18.974 9.255 -4.654 1.00 0.00 H new ATOM 0 HH TYR A 123 21.052 8.466 -4.571 1.00 0.00 H new ATOM 965 N CYS A 124 14.139 8.288 -10.549 1.00 0.00 N ATOM 966 CA CYS A 124 12.867 8.441 -11.297 1.00 0.00 C ATOM 967 C CYS A 124 12.722 9.816 -11.968 1.00 0.00 C ATOM 968 O CYS A 124 13.562 10.264 -12.749 1.00 0.00 O ATOM 969 CB CYS A 124 11.652 7.852 -10.592 1.00 0.00 C ATOM 970 SG CYS A 124 11.155 6.319 -11.359 1.00 0.00 S ATOM 971 OXT CYS A 124 11.574 10.487 -11.622 1.00 0.00 O ATOM 0 H CYS A 124 14.655 9.163 -10.454 1.00 0.00 H new ATOM 0 HA CYS A 124 12.923 7.781 -12.162 1.00 0.00 H new ATOM 0 HB2 CYS A 124 11.884 7.679 -9.541 1.00 0.00 H new ATOM 0 HB3 CYS A 124 10.827 8.564 -10.624 1.00 0.00 H new