USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=29 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 66 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 67 MET CE :methyl -146:sc= -4.31 (180deg=-5.84!) USER MOD Set 2.1: A 64 THR OG1 : rot -160:sc= 0 USER MOD Set 2.2: A 127 MET CE :methyl 166:sc= -0.357 (180deg=-0.838) USER MOD Set 3.1: A 27 ASN :FLIP amide:sc= -0.9 F(o=-3.8,f=-2.6) USER MOD Set 3.2: A 29 HIS : no HD1:sc= -1.65 K(o=-2.6,f=-4.4!) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot -62:sc= 0.164 USER MOD Single : A 10 ASN : amide:sc= -0.893 K(o=-0.89,f=-2.8!) USER MOD Single : A 15 ASN : amide:sc= -6.99! C(o=-7!,f=-9.1!) USER MOD Single : A 21 SER OG : rot 50:sc= 0.00988 USER MOD Single : A 22 ASN : amide:sc= -1.27 X(o=-1.3,f=-1.2) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 95:sc= -0.295 USER MOD Single : A 32 ASN : amide:sc= 0.167 X(o=0.17,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.388 K(o=-0.39,f=-3.3!) USER MOD Single : A 41 HIS : no HD1:sc= -0.155 X(o=-0.16,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0.109 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.615 USER MOD Single : A 51 TYR OH : rot 180:sc= -4.26! USER MOD Single : A 54 ASN : amide:sc= -7.33! C(o=-7.3!,f=-9.1!) USER MOD Single : A 56 HIS : no HD1:sc= -3.74! C(o=-3.7!,f=-6.1!) USER MOD Single : A 58 TYR OH : rot -146:sc= 1.03 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -160:sc= 0.589 USER MOD Single : A 75 ASN : amide:sc= -7.58! C(o=-7.6!,f=-9.1!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0299 USER MOD Single : A 81 GLN : amide:sc= -0.381 K(o=-0.38,f=-2.6!) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HE2:sc= -32.3! C(o=-32!,f=-35!) USER MOD Single : A 87 HIS :FLIP no HD1:sc= -2.77! C(o=-4.1!,f=-2.8!) USER MOD Single : A 89 SER OG : rot 17:sc= 1.1 USER MOD Single : A 93 GLN :FLIP amide:sc= 0.837 F(o=-0.027,f=0.84) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HE2:sc= -2.82 K(o=-2.8,f=-5.7!) USER MOD Single : A 100 ASN : amide:sc= -0.465 X(o=-0.46,f=-0.53) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -3.89! C(o=-3.9!,f=-7.8!) USER MOD Single : A 107 ASN : amide:sc= -0.214 K(o=-0.21,f=-1.7!) USER MOD Single : A 114 TYR OH : rot 30:sc= -0.785 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN :FLIP amide:sc= -8.26! C(o=-9.5!,f=-8.3!) USER MOD Single : A 129 HIS : no HD1:sc= -0.472 X(o=-0.47,f=-0.97) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 FUC O2 : rot 180:sc= -0.0243 USER MOD Single : A 136 FUC O3 : rot -86:sc= 0.0192 USER MOD Single : A 136 FUC O4 : rot -86:sc= 0.0234 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 6 3.652 37.800 -5.000 1.00 1.00 N ATOM 2 CA GLN A 6 3.546 37.710 -6.484 1.00 1.00 C ATOM 3 C GLN A 6 3.781 36.264 -6.925 1.00 1.00 C ATOM 4 O GLN A 6 4.713 35.969 -7.646 1.00 1.00 O ATOM 5 CB GLN A 6 4.597 38.617 -7.128 1.00 1.00 C ATOM 6 CG GLN A 6 4.073 40.054 -7.172 1.00 1.00 C ATOM 7 CD GLN A 6 5.011 40.965 -6.378 1.00 1.00 C ATOM 8 OE1 GLN A 6 4.973 40.984 -5.164 1.00 1.00 O ATOM 9 NE2 GLN A 6 5.857 41.725 -7.017 1.00 1.00 N ATOM 0 HA GLN A 6 2.552 38.029 -6.797 1.00 1.00 H new ATOM 0 HB2 GLN A 6 5.526 38.575 -6.560 1.00 1.00 H new ATOM 0 HB3 GLN A 6 4.824 38.270 -8.136 1.00 1.00 H new ATOM 0 HG2 GLN A 6 4.005 40.396 -8.205 1.00 1.00 H new ATOM 0 HG3 GLN A 6 3.067 40.098 -6.755 1.00 1.00 H new ATOM 0 HE21 GLN A 6 5.888 41.708 -8.036 1.00 1.00 H new ATOM 0 HE22 GLN A 6 6.487 42.336 -6.497 1.00 1.00 H new ATOM 10 N VAL A 7 2.942 35.360 -6.498 1.00 1.00 N ATOM 11 CA VAL A 7 3.118 33.934 -6.893 1.00 1.00 C ATOM 12 C VAL A 7 1.749 33.314 -7.190 1.00 1.00 C ATOM 13 O VAL A 7 1.387 32.309 -6.610 1.00 1.00 O ATOM 14 CB VAL A 7 3.788 33.167 -5.752 1.00 1.00 C ATOM 15 CG1 VAL A 7 2.982 33.358 -4.466 1.00 1.00 C ATOM 16 CG2 VAL A 7 3.843 31.679 -6.102 1.00 1.00 C ATOM 0 H VAL A 7 2.143 35.547 -5.893 1.00 1.00 H new ATOM 0 HA VAL A 7 3.743 33.879 -7.784 1.00 1.00 H new ATOM 0 HB VAL A 7 4.800 33.544 -5.606 1.00 1.00 H new ATOM 0 HG11 VAL A 7 3.459 32.811 -3.653 1.00 1.00 H new ATOM 0 HG12 VAL A 7 2.942 34.418 -4.216 1.00 1.00 H new ATOM 0 HG13 VAL A 7 1.970 32.981 -4.612 1.00 1.00 H new ATOM 0 HG21 VAL A 7 4.320 31.131 -5.289 1.00 1.00 H new ATOM 0 HG22 VAL A 7 2.831 31.302 -6.248 1.00 1.00 H new ATOM 0 HG23 VAL A 7 4.417 31.542 -7.018 1.00 1.00 H new ATOM 17 N PRO A 8 1.026 33.936 -8.089 1.00 1.00 N ATOM 18 CA PRO A 8 -0.296 33.466 -8.476 1.00 1.00 C ATOM 19 C PRO A 8 -0.183 32.178 -9.296 1.00 1.00 C ATOM 20 O PRO A 8 -1.168 31.532 -9.594 1.00 1.00 O ATOM 21 CB PRO A 8 -0.870 34.598 -9.323 1.00 1.00 C ATOM 22 CG PRO A 8 0.399 35.320 -9.874 1.00 1.00 C ATOM 23 CD PRO A 8 1.488 35.152 -8.777 1.00 1.00 C ATOM 0 HA PRO A 8 -0.926 33.233 -7.618 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -1.497 34.218 -10.129 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -1.488 35.271 -8.728 1.00 1.00 H new ATOM 0 HG2 PRO A 8 0.722 34.879 -10.817 1.00 1.00 H new ATOM 0 HG3 PRO A 8 0.197 36.374 -10.067 1.00 1.00 H new ATOM 0 HD2 PRO A 8 2.484 35.029 -9.203 1.00 1.00 H new ATOM 0 HD3 PRO A 8 1.532 36.011 -8.107 1.00 1.00 H new ATOM 24 N SER A 9 1.011 31.801 -9.663 1.00 1.00 N ATOM 25 CA SER A 9 1.185 30.556 -10.463 1.00 1.00 C ATOM 26 C SER A 9 2.647 30.109 -10.397 1.00 1.00 C ATOM 27 O SER A 9 3.302 29.942 -11.407 1.00 1.00 O ATOM 28 CB SER A 9 0.800 30.826 -11.918 1.00 1.00 C ATOM 29 OG SER A 9 0.797 29.600 -12.638 1.00 1.00 O ATOM 0 H SER A 9 1.873 32.301 -9.444 1.00 1.00 H new ATOM 0 HA SER A 9 0.546 29.772 -10.058 1.00 1.00 H new ATOM 0 HB2 SER A 9 -0.185 31.291 -11.965 1.00 1.00 H new ATOM 0 HB3 SER A 9 1.505 31.524 -12.369 1.00 1.00 H new ATOM 0 HG SER A 9 1.698 29.215 -12.633 1.00 1.00 H new ATOM 30 N ASN A 10 3.164 29.914 -9.215 1.00 1.00 N ATOM 31 CA ASN A 10 4.583 29.477 -9.084 1.00 1.00 C ATOM 32 C ASN A 10 4.765 28.727 -7.764 1.00 1.00 C ATOM 33 O ASN A 10 5.254 29.269 -6.792 1.00 1.00 O ATOM 34 CB ASN A 10 5.498 30.704 -9.105 1.00 1.00 C ATOM 35 CG ASN A 10 6.932 30.278 -8.782 1.00 1.00 C ATOM 36 OD1 ASN A 10 7.259 29.109 -8.841 1.00 1.00 O ATOM 37 ND2 ASN A 10 7.807 31.183 -8.440 1.00 1.00 N ATOM 0 H ASN A 10 2.665 30.038 -8.334 1.00 1.00 H new ATOM 0 HA ASN A 10 4.839 28.819 -9.914 1.00 1.00 H new ATOM 0 HB2 ASN A 10 5.461 31.181 -10.084 1.00 1.00 H new ATOM 0 HB3 ASN A 10 5.154 31.440 -8.378 1.00 1.00 H new ATOM 0 HD21 ASN A 10 8.765 30.909 -8.222 1.00 1.00 H new ATOM 0 HD22 ASN A 10 7.533 32.164 -8.390 1.00 1.00 H new ATOM 38 N CYS A 11 4.376 27.482 -7.720 1.00 1.00 N ATOM 39 CA CYS A 11 4.526 26.698 -6.461 1.00 1.00 C ATOM 40 C CYS A 11 4.564 25.207 -6.789 1.00 1.00 C ATOM 41 O CYS A 11 4.686 24.812 -7.932 1.00 1.00 O ATOM 42 CB CYS A 11 3.336 26.974 -5.541 1.00 1.00 C ATOM 43 SG CYS A 11 3.787 28.245 -4.334 1.00 1.00 S ATOM 0 H CYS A 11 3.961 26.974 -8.501 1.00 1.00 H new ATOM 0 HA CYS A 11 5.451 26.991 -5.965 1.00 1.00 H new ATOM 0 HB2 CYS A 11 2.478 27.303 -6.127 1.00 1.00 H new ATOM 0 HB3 CYS A 11 3.040 26.059 -5.028 1.00 1.00 H new ATOM 44 N ASP A 12 4.451 24.374 -5.792 1.00 1.00 N ATOM 45 CA ASP A 12 4.471 22.908 -6.038 1.00 1.00 C ATOM 46 C ASP A 12 3.108 22.320 -5.671 1.00 1.00 C ATOM 47 O ASP A 12 2.392 22.855 -4.848 1.00 1.00 O ATOM 48 CB ASP A 12 5.558 22.258 -5.179 1.00 1.00 C ATOM 49 CG ASP A 12 6.764 21.913 -6.056 1.00 1.00 C ATOM 50 OD1 ASP A 12 7.013 22.643 -7.001 1.00 1.00 O ATOM 51 OD2 ASP A 12 7.418 20.924 -5.767 1.00 1.00 O ATOM 0 H ASP A 12 4.345 24.648 -4.815 1.00 1.00 H new ATOM 0 HA ASP A 12 4.683 22.716 -7.090 1.00 1.00 H new ATOM 0 HB2 ASP A 12 5.858 22.936 -4.380 1.00 1.00 H new ATOM 0 HB3 ASP A 12 5.171 21.357 -4.704 1.00 1.00 H new ATOM 52 N CYS A 13 2.744 21.226 -6.280 1.00 1.00 N ATOM 53 CA CYS A 13 1.427 20.596 -5.976 1.00 1.00 C ATOM 54 C CYS A 13 0.297 21.533 -6.411 1.00 1.00 C ATOM 55 O CYS A 13 0.360 22.730 -6.211 1.00 1.00 O ATOM 56 CB CYS A 13 1.319 20.323 -4.473 1.00 1.00 C ATOM 57 SG CYS A 13 2.588 19.127 -3.989 1.00 1.00 S ATOM 0 H CYS A 13 3.304 20.738 -6.979 1.00 1.00 H new ATOM 0 HA CYS A 13 1.345 19.654 -6.519 1.00 1.00 H new ATOM 0 HB2 CYS A 13 1.445 21.250 -3.914 1.00 1.00 H new ATOM 0 HB3 CYS A 13 0.329 19.937 -4.232 1.00 1.00 H new ATOM 58 N LEU A 14 -0.738 21.001 -7.008 1.00 1.00 N ATOM 59 CA LEU A 14 -1.867 21.867 -7.454 1.00 1.00 C ATOM 60 C LEU A 14 -3.195 21.221 -7.040 1.00 1.00 C ATOM 61 O LEU A 14 -3.261 20.504 -6.062 1.00 1.00 O ATOM 62 CB LEU A 14 -1.802 22.042 -8.980 1.00 1.00 C ATOM 63 CG LEU A 14 -1.728 20.675 -9.673 1.00 1.00 C ATOM 64 CD1 LEU A 14 -3.086 19.975 -9.608 1.00 1.00 C ATOM 65 CD2 LEU A 14 -1.347 20.879 -11.138 1.00 1.00 C ATOM 0 H LEU A 14 -0.849 20.006 -7.205 1.00 1.00 H new ATOM 0 HA LEU A 14 -1.794 22.849 -6.986 1.00 1.00 H new ATOM 0 HB2 LEU A 14 -2.680 22.586 -9.328 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -0.931 22.640 -9.247 1.00 1.00 H new ATOM 0 HG LEU A 14 -0.983 20.060 -9.168 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -3.020 19.006 -10.103 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -3.372 19.831 -8.566 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -3.836 20.588 -10.108 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -1.292 19.912 -11.638 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -2.099 21.498 -11.627 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -0.377 21.373 -11.196 1.00 1.00 H new ATOM 66 N ASN A 15 -4.254 21.472 -7.764 1.00 1.00 N ATOM 67 CA ASN A 15 -5.565 20.871 -7.400 1.00 1.00 C ATOM 68 C ASN A 15 -5.979 21.366 -6.015 1.00 1.00 C ATOM 69 O ASN A 15 -6.744 20.731 -5.317 1.00 1.00 O ATOM 70 CB ASN A 15 -5.448 19.345 -7.384 1.00 1.00 C ATOM 71 CG ASN A 15 -5.518 18.810 -8.815 1.00 1.00 C ATOM 72 OD1 ASN A 15 -5.882 19.526 -9.727 1.00 1.00 O ATOM 73 ND2 ASN A 15 -5.180 17.572 -9.053 1.00 1.00 N ATOM 0 H ASN A 15 -4.265 22.068 -8.592 1.00 1.00 H new ATOM 0 HA ASN A 15 -6.315 21.165 -8.134 1.00 1.00 H new ATOM 0 HB2 ASN A 15 -4.508 19.047 -6.919 1.00 1.00 H new ATOM 0 HB3 ASN A 15 -6.250 18.915 -6.785 1.00 1.00 H new ATOM 0 HD21 ASN A 15 -5.221 17.206 -10.004 1.00 1.00 H new ATOM 0 HD22 ASN A 15 -4.874 16.971 -8.288 1.00 1.00 H new ATOM 74 N GLY A 16 -5.472 22.496 -5.614 1.00 1.00 N ATOM 75 CA GLY A 16 -5.825 23.042 -4.275 1.00 1.00 C ATOM 76 C GLY A 16 -4.653 22.836 -3.319 1.00 1.00 C ATOM 77 O GLY A 16 -4.792 22.930 -2.116 1.00 1.00 O ATOM 0 H GLY A 16 -4.826 23.068 -6.158 1.00 1.00 H new ATOM 0 HA2 GLY A 16 -6.062 24.103 -4.354 1.00 1.00 H new ATOM 0 HA3 GLY A 16 -6.715 22.544 -3.890 1.00 1.00 H new ATOM 78 N GLY A 17 -3.498 22.561 -3.851 1.00 1.00 N ATOM 79 CA GLY A 17 -2.306 22.353 -2.980 1.00 1.00 C ATOM 80 C GLY A 17 -1.923 23.680 -2.322 1.00 1.00 C ATOM 81 O GLY A 17 -1.876 24.711 -2.964 1.00 1.00 O ATOM 0 H GLY A 17 -3.325 22.471 -4.852 1.00 1.00 H new ATOM 0 HA2 GLY A 17 -2.524 21.605 -2.217 1.00 1.00 H new ATOM 0 HA3 GLY A 17 -1.472 21.972 -3.570 1.00 1.00 H new ATOM 82 N THR A 18 -1.654 23.667 -1.045 1.00 1.00 N ATOM 83 CA THR A 18 -1.281 24.932 -0.350 1.00 1.00 C ATOM 84 C THR A 18 0.237 25.117 -0.397 1.00 1.00 C ATOM 85 O THR A 18 0.993 24.177 -0.256 1.00 1.00 O ATOM 86 CB THR A 18 -1.744 24.866 1.103 1.00 1.00 C ATOM 87 OG1 THR A 18 -3.154 24.884 1.163 1.00 1.00 O ATOM 88 CG2 THR A 18 -1.173 26.075 1.839 1.00 1.00 C ATOM 0 H THR A 18 -1.676 22.836 -0.453 1.00 1.00 H new ATOM 0 HA THR A 18 -1.761 25.775 -0.848 1.00 1.00 H new ATOM 0 HB THR A 18 -1.394 23.944 1.567 1.00 1.00 H new ATOM 0 HG21 THR A 18 -1.491 26.050 2.881 1.00 1.00 H new ATOM 0 HG22 THR A 18 -0.084 26.050 1.791 1.00 1.00 H new ATOM 0 HG23 THR A 18 -1.536 26.990 1.371 1.00 1.00 H new ATOM 89 N CYS A 19 0.688 26.327 -0.591 1.00 1.00 N ATOM 90 CA CYS A 19 2.155 26.578 -0.644 1.00 1.00 C ATOM 91 C CYS A 19 2.638 27.049 0.729 1.00 1.00 C ATOM 92 O CYS A 19 1.994 27.844 1.384 1.00 1.00 O ATOM 93 CB CYS A 19 2.449 27.660 -1.685 1.00 1.00 C ATOM 94 SG CYS A 19 3.956 27.234 -2.593 1.00 1.00 S ATOM 0 H CYS A 19 0.102 27.153 -0.715 1.00 1.00 H new ATOM 0 HA CYS A 19 2.673 25.659 -0.918 1.00 1.00 H new ATOM 0 HB2 CYS A 19 1.610 27.753 -2.375 1.00 1.00 H new ATOM 0 HB3 CYS A 19 2.568 28.627 -1.196 1.00 1.00 H new ATOM 95 N VAL A 20 3.766 26.565 1.171 1.00 1.00 N ATOM 96 CA VAL A 20 4.285 26.986 2.503 1.00 1.00 C ATOM 97 C VAL A 20 5.755 27.389 2.373 1.00 1.00 C ATOM 98 O VAL A 20 6.329 27.345 1.303 1.00 1.00 O ATOM 99 CB VAL A 20 4.157 25.823 3.489 1.00 1.00 C ATOM 100 CG1 VAL A 20 2.756 25.216 3.383 1.00 1.00 C ATOM 101 CG2 VAL A 20 5.199 24.754 3.153 1.00 1.00 C ATOM 0 H VAL A 20 4.350 25.897 0.668 1.00 1.00 H new ATOM 0 HA VAL A 20 3.708 27.836 2.868 1.00 1.00 H new ATOM 0 HB VAL A 20 4.321 26.187 4.503 1.00 1.00 H new ATOM 0 HG11 VAL A 20 2.664 24.387 4.085 1.00 1.00 H new ATOM 0 HG12 VAL A 20 2.011 25.976 3.619 1.00 1.00 H new ATOM 0 HG13 VAL A 20 2.593 24.852 2.369 1.00 1.00 H new ATOM 0 HG21 VAL A 20 5.109 23.925 3.855 1.00 1.00 H new ATOM 0 HG22 VAL A 20 5.033 24.391 2.139 1.00 1.00 H new ATOM 0 HG23 VAL A 20 6.198 25.184 3.226 1.00 1.00 H new ATOM 102 N SER A 21 6.372 27.781 3.455 1.00 1.00 N ATOM 103 CA SER A 21 7.804 28.185 3.389 1.00 1.00 C ATOM 104 C SER A 21 8.295 28.567 4.787 1.00 1.00 C ATOM 105 O SER A 21 7.960 29.612 5.309 1.00 1.00 O ATOM 106 CB SER A 21 7.954 29.384 2.452 1.00 1.00 C ATOM 107 OG SER A 21 6.826 30.237 2.597 1.00 1.00 O ATOM 0 H SER A 21 5.946 27.839 4.380 1.00 1.00 H new ATOM 0 HA SER A 21 8.397 27.352 3.012 1.00 1.00 H new ATOM 0 HB2 SER A 21 8.869 29.929 2.684 1.00 1.00 H new ATOM 0 HB3 SER A 21 8.038 29.045 1.419 1.00 1.00 H new ATOM 0 HG SER A 21 6.677 30.424 3.547 1.00 1.00 H new ATOM 108 N ASN A 22 9.088 27.728 5.396 1.00 1.00 N ATOM 109 CA ASN A 22 9.605 28.042 6.758 1.00 1.00 C ATOM 110 C ASN A 22 10.423 29.334 6.707 1.00 1.00 C ATOM 111 O ASN A 22 10.086 30.264 6.003 1.00 1.00 O ATOM 112 CB ASN A 22 10.473 26.883 7.251 1.00 1.00 C ATOM 113 CG ASN A 22 10.484 26.864 8.781 1.00 1.00 C ATOM 114 OD1 ASN A 22 9.443 26.884 9.408 1.00 1.00 O ATOM 115 ND2 ASN A 22 11.625 26.825 9.413 1.00 1.00 N ATOM 0 H ASN A 22 9.400 26.838 5.008 1.00 1.00 H new ATOM 0 HA ASN A 22 8.772 28.179 7.447 1.00 1.00 H new ATOM 0 HB2 ASN A 22 10.087 25.938 6.868 1.00 1.00 H new ATOM 0 HB3 ASN A 22 11.489 26.989 6.871 1.00 1.00 H new ATOM 0 HD21 ASN A 22 11.643 26.811 10.433 1.00 1.00 H new ATOM 0 HD22 ASN A 22 12.499 26.808 8.887 1.00 1.00 H new ATOM 116 N LYS A 23 11.478 29.415 7.468 1.00 1.00 N ATOM 117 CA LYS A 23 12.285 30.662 7.479 1.00 1.00 C ATOM 118 C LYS A 23 13.617 30.444 8.208 1.00 1.00 C ATOM 119 O LYS A 23 14.596 31.110 7.936 1.00 1.00 O ATOM 120 CB LYS A 23 11.482 31.711 8.221 1.00 1.00 C ATOM 121 CG LYS A 23 11.912 33.110 7.776 1.00 1.00 C ATOM 122 CD LYS A 23 10.710 34.055 7.826 1.00 1.00 C ATOM 123 CE LYS A 23 10.780 34.902 9.098 1.00 1.00 C ATOM 124 NZ LYS A 23 10.170 34.149 10.230 1.00 1.00 N ATOM 0 H LYS A 23 11.814 28.672 8.081 1.00 1.00 H new ATOM 0 HA LYS A 23 12.504 30.971 6.457 1.00 1.00 H new ATOM 0 HB2 LYS A 23 10.418 31.570 8.029 1.00 1.00 H new ATOM 0 HB3 LYS A 23 11.629 31.601 9.295 1.00 1.00 H new ATOM 0 HG2 LYS A 23 12.706 33.481 8.424 1.00 1.00 H new ATOM 0 HG3 LYS A 23 12.317 33.073 6.765 1.00 1.00 H new ATOM 0 HD2 LYS A 23 10.704 34.700 6.947 1.00 1.00 H new ATOM 0 HD3 LYS A 23 9.783 33.482 7.808 1.00 1.00 H new ATOM 0 HE2 LYS A 23 11.817 35.148 9.327 1.00 1.00 H new ATOM 0 HE3 LYS A 23 10.254 35.845 8.949 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 10.217 34.724 11.095 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 9.176 33.936 10.010 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 10.690 33.260 10.376 1.00 1.00 H new ATOM 125 N TYR A 24 13.664 29.530 9.140 1.00 1.00 N ATOM 126 CA TYR A 24 14.927 29.289 9.887 1.00 1.00 C ATOM 127 C TYR A 24 15.709 28.183 9.196 1.00 1.00 C ATOM 128 O TYR A 24 16.303 27.332 9.828 1.00 1.00 O ATOM 129 CB TYR A 24 14.591 28.846 11.308 1.00 1.00 C ATOM 130 CG TYR A 24 13.844 29.949 12.017 1.00 1.00 C ATOM 131 CD1 TYR A 24 14.197 31.288 11.796 1.00 1.00 C ATOM 132 CD2 TYR A 24 12.798 29.636 12.895 1.00 1.00 C ATOM 133 CE1 TYR A 24 13.504 32.312 12.454 1.00 1.00 C ATOM 134 CE2 TYR A 24 12.105 30.661 13.552 1.00 1.00 C ATOM 135 CZ TYR A 24 12.458 31.999 13.332 1.00 1.00 C ATOM 136 OH TYR A 24 11.775 33.008 13.979 1.00 1.00 O ATOM 0 H TYR A 24 12.879 28.940 9.415 1.00 1.00 H new ATOM 0 HA TYR A 24 15.520 30.203 9.914 1.00 1.00 H new ATOM 0 HB2 TYR A 24 13.986 27.940 11.284 1.00 1.00 H new ATOM 0 HB3 TYR A 24 15.505 28.605 11.851 1.00 1.00 H new ATOM 0 HD1 TYR A 24 15.003 31.530 11.119 1.00 1.00 H new ATOM 0 HD2 TYR A 24 12.526 28.605 13.065 1.00 1.00 H new ATOM 0 HE1 TYR A 24 13.776 33.343 12.284 1.00 1.00 H new ATOM 0 HE2 TYR A 24 11.298 30.420 14.228 1.00 1.00 H new ATOM 0 HH TYR A 24 11.080 32.619 14.550 1.00 1.00 H new ATOM 137 N PHE A 25 15.701 28.183 7.898 1.00 1.00 N ATOM 138 CA PHE A 25 16.427 27.126 7.152 1.00 1.00 C ATOM 139 C PHE A 25 17.080 27.736 5.905 1.00 1.00 C ATOM 140 O PHE A 25 17.591 27.042 5.051 1.00 1.00 O ATOM 141 CB PHE A 25 15.410 26.041 6.781 1.00 1.00 C ATOM 142 CG PHE A 25 15.902 25.201 5.635 1.00 1.00 C ATOM 143 CD1 PHE A 25 15.675 25.619 4.318 1.00 1.00 C ATOM 144 CD2 PHE A 25 16.558 23.989 5.882 1.00 1.00 C ATOM 145 CE1 PHE A 25 16.102 24.828 3.249 1.00 1.00 C ATOM 146 CE2 PHE A 25 16.991 23.199 4.810 1.00 1.00 C ATOM 147 CZ PHE A 25 16.759 23.621 3.494 1.00 1.00 C ATOM 0 H PHE A 25 15.221 28.872 7.319 1.00 1.00 H new ATOM 0 HA PHE A 25 17.222 26.687 7.755 1.00 1.00 H new ATOM 0 HB2 PHE A 25 15.221 25.405 7.646 1.00 1.00 H new ATOM 0 HB3 PHE A 25 14.461 26.505 6.513 1.00 1.00 H new ATOM 0 HD1 PHE A 25 15.169 26.554 4.129 1.00 1.00 H new ATOM 0 HD2 PHE A 25 16.730 23.664 6.898 1.00 1.00 H new ATOM 0 HE1 PHE A 25 15.924 25.150 2.234 1.00 1.00 H new ATOM 0 HE2 PHE A 25 17.503 22.266 4.997 1.00 1.00 H new ATOM 0 HZ PHE A 25 17.090 23.010 2.667 1.00 1.00 H new ATOM 148 N SER A 26 17.081 29.038 5.820 1.00 1.00 N ATOM 149 CA SER A 26 17.702 29.734 4.652 1.00 1.00 C ATOM 150 C SER A 26 16.699 29.794 3.497 1.00 1.00 C ATOM 151 O SER A 26 16.230 30.851 3.125 1.00 1.00 O ATOM 152 CB SER A 26 18.960 28.988 4.203 1.00 1.00 C ATOM 153 OG SER A 26 19.662 28.521 5.347 1.00 1.00 O ATOM 0 H SER A 26 16.673 29.659 6.519 1.00 1.00 H new ATOM 0 HA SER A 26 17.977 30.747 4.947 1.00 1.00 H new ATOM 0 HB2 SER A 26 18.690 28.150 3.560 1.00 1.00 H new ATOM 0 HB3 SER A 26 19.598 29.648 3.615 1.00 1.00 H new ATOM 0 HG SER A 26 19.401 27.596 5.536 1.00 1.00 H new ATOM 154 N ASN A 27 16.363 28.669 2.927 1.00 1.00 N ATOM 155 CA ASN A 27 15.389 28.669 1.798 1.00 1.00 C ATOM 156 C ASN A 27 14.630 27.340 1.784 1.00 1.00 C ATOM 157 O ASN A 27 14.899 26.468 0.982 1.00 1.00 O ATOM 158 CB ASN A 27 16.141 28.846 0.476 1.00 1.00 C ATOM 159 CG ASN A 27 15.205 28.533 -0.692 1.00 1.00 C ATOM 160 OD1 ASN A 27 15.614 27.741 -1.645 1.00 1.00 O flip ATOM 161 ND2 ASN A 27 14.090 29.013 -0.739 1.00 1.00 N flip ATOM 0 H ASN A 27 16.720 27.751 3.193 1.00 1.00 H new ATOM 0 HA ASN A 27 14.682 29.489 1.924 1.00 1.00 H new ATOM 0 HB2 ASN A 27 16.515 29.866 0.392 1.00 1.00 H new ATOM 0 HB3 ASN A 27 17.008 28.186 0.448 1.00 1.00 H new ATOM 0 HD21 ASN A 27 13.770 29.632 0.006 1.00 1.00 H new ATOM 0 HD22 ASN A 27 13.474 28.797 -1.523 1.00 1.00 H new ATOM 162 N ILE A 28 13.689 27.179 2.672 1.00 1.00 N ATOM 163 CA ILE A 28 12.916 25.907 2.726 1.00 1.00 C ATOM 164 C ILE A 28 11.543 26.120 2.070 1.00 1.00 C ATOM 165 O ILE A 28 10.970 27.189 2.145 1.00 1.00 O ATOM 166 CB ILE A 28 12.776 25.484 4.206 1.00 1.00 C ATOM 167 CG1 ILE A 28 13.085 23.997 4.362 1.00 1.00 C ATOM 168 CG2 ILE A 28 11.367 25.754 4.740 1.00 1.00 C ATOM 169 CD1 ILE A 28 12.403 23.202 3.249 1.00 1.00 C ATOM 0 H ILE A 28 13.421 27.877 3.366 1.00 1.00 H new ATOM 0 HA ILE A 28 13.429 25.114 2.181 1.00 1.00 H new ATOM 0 HB ILE A 28 13.487 26.078 4.780 1.00 1.00 H new ATOM 0 HG12 ILE A 28 14.162 23.835 4.328 1.00 1.00 H new ATOM 0 HG13 ILE A 28 12.741 23.646 5.335 1.00 1.00 H new ATOM 0 HG21 ILE A 28 11.308 25.444 5.783 1.00 1.00 H new ATOM 0 HG22 ILE A 28 11.147 26.819 4.665 1.00 1.00 H new ATOM 0 HG23 ILE A 28 10.641 25.192 4.152 1.00 1.00 H new ATOM 0 HD11 ILE A 28 12.629 22.142 3.368 1.00 1.00 H new ATOM 0 HD12 ILE A 28 11.325 23.352 3.303 1.00 1.00 H new ATOM 0 HD13 ILE A 28 12.769 23.544 2.281 1.00 1.00 H new ATOM 170 N HIS A 29 11.013 25.113 1.431 1.00 1.00 N ATOM 171 CA HIS A 29 9.681 25.266 0.778 1.00 1.00 C ATOM 172 C HIS A 29 9.116 23.886 0.434 1.00 1.00 C ATOM 173 O HIS A 29 9.701 23.135 -0.320 1.00 1.00 O ATOM 174 CB HIS A 29 9.834 26.089 -0.503 1.00 1.00 C ATOM 175 CG HIS A 29 11.122 25.719 -1.185 1.00 1.00 C ATOM 176 ND1 HIS A 29 12.350 26.194 -0.752 1.00 1.00 N ATOM 177 CD2 HIS A 29 11.389 24.923 -2.271 1.00 1.00 C ATOM 178 CE1 HIS A 29 13.292 25.684 -1.566 1.00 1.00 C ATOM 179 NE2 HIS A 29 12.760 24.902 -2.510 1.00 1.00 N ATOM 0 H HIS A 29 11.443 24.193 1.333 1.00 1.00 H new ATOM 0 HA HIS A 29 9.000 25.775 1.459 1.00 1.00 H new ATOM 0 HB2 HIS A 29 8.991 25.905 -1.169 1.00 1.00 H new ATOM 0 HB3 HIS A 29 9.827 27.153 -0.267 1.00 1.00 H new ATOM 0 HD2 HIS A 29 10.648 24.394 -2.852 1.00 1.00 H new ATOM 0 HE1 HIS A 29 14.349 25.882 -1.468 1.00 1.00 H new ATOM 0 HE2 HIS A 29 13.253 24.398 -3.247 1.00 1.00 H new ATOM 180 N TRP A 30 7.980 23.548 0.980 1.00 1.00 N ATOM 181 CA TRP A 30 7.375 22.219 0.684 1.00 1.00 C ATOM 182 C TRP A 30 5.875 22.389 0.433 1.00 1.00 C ATOM 183 O TRP A 30 5.158 22.937 1.246 1.00 1.00 O ATOM 184 CB TRP A 30 7.598 21.280 1.873 1.00 1.00 C ATOM 185 CG TRP A 30 6.745 21.709 3.021 1.00 1.00 C ATOM 186 CD1 TRP A 30 5.462 21.331 3.230 1.00 1.00 C ATOM 187 CD2 TRP A 30 7.096 22.589 4.122 1.00 1.00 C ATOM 188 NE1 TRP A 30 5.005 21.928 4.392 1.00 1.00 N ATOM 189 CE2 TRP A 30 5.977 22.715 4.977 1.00 1.00 C ATOM 190 CE3 TRP A 30 8.270 23.284 4.453 1.00 1.00 C ATOM 191 CZ2 TRP A 30 6.023 23.507 6.126 1.00 1.00 C ATOM 192 CZ3 TRP A 30 8.324 24.083 5.608 1.00 1.00 C ATOM 193 CH2 TRP A 30 7.201 24.194 6.443 1.00 1.00 C ATOM 0 H TRP A 30 7.444 24.136 1.619 1.00 1.00 H new ATOM 0 HA TRP A 30 7.844 21.793 -0.203 1.00 1.00 H new ATOM 0 HB2 TRP A 30 7.355 20.256 1.590 1.00 1.00 H new ATOM 0 HB3 TRP A 30 8.648 21.290 2.164 1.00 1.00 H new ATOM 0 HD1 TRP A 30 4.889 20.672 2.594 1.00 1.00 H new ATOM 0 HE1 TRP A 30 4.066 21.802 4.770 1.00 1.00 H new ATOM 0 HE3 TRP A 30 9.138 23.204 3.815 1.00 1.00 H new ATOM 0 HZ2 TRP A 30 5.156 23.589 6.765 1.00 1.00 H new ATOM 0 HZ3 TRP A 30 9.232 24.613 5.854 1.00 1.00 H new ATOM 0 HH2 TRP A 30 7.246 24.809 7.330 1.00 1.00 H new ATOM 194 N CYS A 31 5.395 21.926 -0.689 1.00 1.00 N ATOM 195 CA CYS A 31 3.942 22.064 -0.993 1.00 1.00 C ATOM 196 C CYS A 31 3.126 21.343 0.080 1.00 1.00 C ATOM 197 O CYS A 31 3.658 20.611 0.891 1.00 1.00 O ATOM 198 CB CYS A 31 3.645 21.445 -2.359 1.00 1.00 C ATOM 199 SG CYS A 31 3.150 19.718 -2.142 1.00 1.00 S ATOM 0 H CYS A 31 5.946 21.458 -1.408 1.00 1.00 H new ATOM 0 HA CYS A 31 3.673 23.120 -1.006 1.00 1.00 H new ATOM 0 HB2 CYS A 31 2.852 22.002 -2.858 1.00 1.00 H new ATOM 0 HB3 CYS A 31 4.527 21.505 -2.997 1.00 1.00 H new ATOM 200 N ASN A 32 1.836 21.542 0.093 1.00 1.00 N ATOM 201 CA ASN A 32 0.991 20.865 1.116 1.00 1.00 C ATOM 202 C ASN A 32 -0.360 20.486 0.504 1.00 1.00 C ATOM 203 O ASN A 32 -1.388 21.021 0.868 1.00 1.00 O ATOM 204 CB ASN A 32 0.765 21.812 2.297 1.00 1.00 C ATOM 205 CG ASN A 32 0.442 20.997 3.551 1.00 1.00 C ATOM 206 OD1 ASN A 32 1.234 20.933 4.469 1.00 1.00 O ATOM 207 ND2 ASN A 32 -0.699 20.367 3.628 1.00 1.00 N ATOM 0 H ASN A 32 1.332 22.143 -0.559 1.00 1.00 H new ATOM 0 HA ASN A 32 1.497 19.963 1.460 1.00 1.00 H new ATOM 0 HB2 ASN A 32 1.654 22.420 2.465 1.00 1.00 H new ATOM 0 HB3 ASN A 32 -0.053 22.498 2.076 1.00 1.00 H new ATOM 0 HD21 ASN A 32 -0.925 19.821 4.459 1.00 1.00 H new ATOM 0 HD22 ASN A 32 -1.364 20.421 2.857 1.00 1.00 H new ATOM 208 N CYS A 33 -0.370 19.562 -0.419 1.00 1.00 N ATOM 209 CA CYS A 33 -1.658 19.150 -1.042 1.00 1.00 C ATOM 210 C CYS A 33 -2.191 17.909 -0.315 1.00 1.00 C ATOM 211 O CYS A 33 -1.422 17.071 0.114 1.00 1.00 O ATOM 212 CB CYS A 33 -1.436 18.825 -2.522 1.00 1.00 C ATOM 213 SG CYS A 33 -0.229 17.485 -2.679 1.00 1.00 S ATOM 0 H CYS A 33 0.457 19.076 -0.767 1.00 1.00 H new ATOM 0 HA CYS A 33 -2.381 19.962 -0.961 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -2.379 18.534 -2.986 1.00 1.00 H new ATOM 0 HB3 CYS A 33 -1.081 19.710 -3.049 1.00 1.00 H new ATOM 214 N PRO A 34 -3.493 17.829 -0.195 1.00 1.00 N ATOM 215 CA PRO A 34 -4.135 16.709 0.476 1.00 1.00 C ATOM 216 C PRO A 34 -3.566 15.384 -0.037 1.00 1.00 C ATOM 217 O PRO A 34 -3.010 15.313 -1.115 1.00 1.00 O ATOM 218 CB PRO A 34 -5.609 16.844 0.114 1.00 1.00 C ATOM 219 CG PRO A 34 -5.778 18.370 -0.171 1.00 1.00 C ATOM 220 CD PRO A 34 -4.406 18.853 -0.725 1.00 1.00 C ATOM 0 HA PRO A 34 -3.974 16.717 1.554 1.00 1.00 H new ATOM 0 HB2 PRO A 34 -5.864 16.242 -0.758 1.00 1.00 H new ATOM 0 HB3 PRO A 34 -6.254 16.514 0.929 1.00 1.00 H new ATOM 0 HG2 PRO A 34 -6.575 18.547 -0.893 1.00 1.00 H new ATOM 0 HG3 PRO A 34 -6.045 18.910 0.737 1.00 1.00 H new ATOM 0 HD2 PRO A 34 -4.394 18.888 -1.814 1.00 1.00 H new ATOM 0 HD3 PRO A 34 -4.150 19.852 -0.371 1.00 1.00 H new ATOM 221 N LYS A 35 -3.698 14.334 0.728 1.00 1.00 N ATOM 222 CA LYS A 35 -3.163 13.018 0.282 1.00 1.00 C ATOM 223 C LYS A 35 -3.971 12.524 -0.919 1.00 1.00 C ATOM 224 O LYS A 35 -3.506 11.724 -1.707 1.00 1.00 O ATOM 225 CB LYS A 35 -3.274 12.006 1.424 1.00 1.00 C ATOM 226 CG LYS A 35 -4.746 11.804 1.789 1.00 1.00 C ATOM 227 CD LYS A 35 -4.975 10.348 2.201 1.00 1.00 C ATOM 228 CE LYS A 35 -5.637 10.305 3.579 1.00 1.00 C ATOM 229 NZ LYS A 35 -5.471 8.945 4.167 1.00 1.00 N ATOM 0 H LYS A 35 -4.153 14.332 1.641 1.00 1.00 H new ATOM 0 HA LYS A 35 -2.116 13.128 -0.002 1.00 1.00 H new ATOM 0 HB2 LYS A 35 -2.829 11.056 1.127 1.00 1.00 H new ATOM 0 HB3 LYS A 35 -2.719 12.360 2.293 1.00 1.00 H new ATOM 0 HG2 LYS A 35 -5.024 12.472 2.604 1.00 1.00 H new ATOM 0 HG3 LYS A 35 -5.380 12.057 0.939 1.00 1.00 H new ATOM 0 HD2 LYS A 35 -5.606 9.846 1.467 1.00 1.00 H new ATOM 0 HD3 LYS A 35 -4.026 9.812 2.225 1.00 1.00 H new ATOM 0 HE2 LYS A 35 -5.189 11.053 4.233 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -6.696 10.549 3.494 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -5.921 8.915 5.104 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 -5.918 8.241 3.545 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 -4.458 8.729 4.262 1.00 1.00 H new ATOM 230 N LYS A 36 -5.178 12.998 -1.068 1.00 1.00 N ATOM 231 CA LYS A 36 -6.013 12.558 -2.221 1.00 1.00 C ATOM 232 C LYS A 36 -5.399 13.085 -3.519 1.00 1.00 C ATOM 233 O LYS A 36 -5.760 12.671 -4.602 1.00 1.00 O ATOM 234 CB LYS A 36 -7.431 13.111 -2.065 1.00 1.00 C ATOM 235 CG LYS A 36 -7.363 14.583 -1.652 1.00 1.00 C ATOM 236 CD LYS A 36 -8.583 15.325 -2.202 1.00 1.00 C ATOM 237 CE LYS A 36 -9.757 15.166 -1.234 1.00 1.00 C ATOM 238 NZ LYS A 36 -9.850 16.372 -0.363 1.00 1.00 N ATOM 0 H LYS A 36 -5.621 13.670 -0.442 1.00 1.00 H new ATOM 0 HA LYS A 36 -6.051 11.469 -2.251 1.00 1.00 H new ATOM 0 HB2 LYS A 36 -7.977 13.010 -3.003 1.00 1.00 H new ATOM 0 HB3 LYS A 36 -7.976 12.537 -1.316 1.00 1.00 H new ATOM 0 HG2 LYS A 36 -7.333 14.666 -0.566 1.00 1.00 H new ATOM 0 HG3 LYS A 36 -6.447 15.036 -2.031 1.00 1.00 H new ATOM 0 HD2 LYS A 36 -8.349 16.381 -2.336 1.00 1.00 H new ATOM 0 HD3 LYS A 36 -8.850 14.930 -3.182 1.00 1.00 H new ATOM 0 HE2 LYS A 36 -10.685 15.033 -1.790 1.00 1.00 H new ATOM 0 HE3 LYS A 36 -9.621 14.273 -0.624 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 -10.648 16.264 0.295 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 -8.968 16.479 0.177 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 -9.999 17.215 -0.953 1.00 1.00 H new ATOM 239 N PHE A 37 -4.470 13.997 -3.416 1.00 1.00 N ATOM 240 CA PHE A 37 -3.831 14.552 -4.642 1.00 1.00 C ATOM 241 C PHE A 37 -2.456 13.910 -4.837 1.00 1.00 C ATOM 242 O PHE A 37 -1.859 13.401 -3.909 1.00 1.00 O ATOM 243 CB PHE A 37 -3.667 16.068 -4.494 1.00 1.00 C ATOM 244 CG PHE A 37 -5.023 16.726 -4.349 1.00 1.00 C ATOM 245 CD1 PHE A 37 -6.192 16.021 -4.673 1.00 1.00 C ATOM 246 CD2 PHE A 37 -5.109 18.048 -3.891 1.00 1.00 C ATOM 247 CE1 PHE A 37 -7.443 16.638 -4.538 1.00 1.00 C ATOM 248 CE2 PHE A 37 -6.361 18.663 -3.756 1.00 1.00 C ATOM 249 CZ PHE A 37 -7.527 17.959 -4.080 1.00 1.00 C ATOM 0 H PHE A 37 -4.127 14.381 -2.536 1.00 1.00 H new ATOM 0 HA PHE A 37 -4.460 14.337 -5.506 1.00 1.00 H new ATOM 0 HB2 PHE A 37 -3.051 16.292 -3.623 1.00 1.00 H new ATOM 0 HB3 PHE A 37 -3.149 16.472 -5.364 1.00 1.00 H new ATOM 0 HD1 PHE A 37 -6.128 15.003 -5.027 1.00 1.00 H new ATOM 0 HD2 PHE A 37 -4.210 18.593 -3.642 1.00 1.00 H new ATOM 0 HE1 PHE A 37 -8.343 16.095 -4.787 1.00 1.00 H new ATOM 0 HE2 PHE A 37 -6.426 19.681 -3.402 1.00 1.00 H new ATOM 0 HZ PHE A 37 -8.491 18.434 -3.977 1.00 1.00 H new ATOM 250 N GLY A 38 -1.950 13.931 -6.039 1.00 1.00 N ATOM 251 CA GLY A 38 -0.613 13.324 -6.298 1.00 1.00 C ATOM 252 C GLY A 38 -0.261 13.488 -7.777 1.00 1.00 C ATOM 253 O GLY A 38 -1.025 14.030 -8.547 1.00 1.00 O ATOM 0 H GLY A 38 -2.405 14.342 -6.854 1.00 1.00 H new ATOM 0 HA2 GLY A 38 0.143 13.804 -5.677 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -0.622 12.268 -6.030 1.00 1.00 H new ATOM 254 N GLY A 39 0.888 13.021 -8.182 1.00 1.00 N ATOM 255 CA GLY A 39 1.284 13.148 -9.612 1.00 1.00 C ATOM 256 C GLY A 39 2.194 14.360 -9.798 1.00 1.00 C ATOM 257 O GLY A 39 1.749 15.487 -9.752 1.00 1.00 O ATOM 0 H GLY A 39 1.570 12.556 -7.583 1.00 1.00 H new ATOM 0 HA2 GLY A 39 1.799 12.244 -9.937 1.00 1.00 H new ATOM 0 HA3 GLY A 39 0.396 13.251 -10.236 1.00 1.00 H new ATOM 258 N GLN A 40 3.462 14.121 -10.020 1.00 1.00 N ATOM 259 CA GLN A 40 4.434 15.237 -10.230 1.00 1.00 C ATOM 260 C GLN A 40 4.090 16.431 -9.338 1.00 1.00 C ATOM 261 O GLN A 40 4.582 16.559 -8.235 1.00 1.00 O ATOM 262 CB GLN A 40 4.391 15.673 -11.696 1.00 1.00 C ATOM 263 CG GLN A 40 5.223 14.708 -12.542 1.00 1.00 C ATOM 264 CD GLN A 40 4.318 14.004 -13.554 1.00 1.00 C ATOM 265 OE1 GLN A 40 3.203 14.427 -13.787 1.00 1.00 O ATOM 266 NE2 GLN A 40 4.752 12.938 -14.169 1.00 1.00 N ATOM 0 H GLN A 40 3.870 13.187 -10.065 1.00 1.00 H new ATOM 0 HA GLN A 40 5.432 14.884 -9.971 1.00 1.00 H new ATOM 0 HB2 GLN A 40 3.361 15.689 -12.051 1.00 1.00 H new ATOM 0 HB3 GLN A 40 4.778 16.687 -11.796 1.00 1.00 H new ATOM 0 HG2 GLN A 40 6.013 15.251 -13.061 1.00 1.00 H new ATOM 0 HG3 GLN A 40 5.710 13.973 -11.901 1.00 1.00 H new ATOM 0 HE21 GLN A 40 5.688 12.582 -13.974 1.00 1.00 H new ATOM 0 HE22 GLN A 40 4.155 12.461 -14.845 1.00 1.00 H new ATOM 267 N HIS A 41 3.248 17.307 -9.812 1.00 1.00 N ATOM 268 CA HIS A 41 2.870 18.495 -9.001 1.00 1.00 C ATOM 269 C HIS A 41 1.530 18.232 -8.322 1.00 1.00 C ATOM 270 O HIS A 41 0.632 19.046 -8.367 1.00 1.00 O ATOM 271 CB HIS A 41 2.750 19.719 -9.911 1.00 1.00 C ATOM 272 CG HIS A 41 4.124 20.202 -10.286 1.00 1.00 C ATOM 273 ND1 HIS A 41 4.389 21.535 -10.561 1.00 1.00 N ATOM 274 CD2 HIS A 41 5.319 19.543 -10.437 1.00 1.00 C ATOM 275 CE1 HIS A 41 5.697 21.634 -10.860 1.00 1.00 C ATOM 276 NE2 HIS A 41 6.311 20.450 -10.800 1.00 1.00 N ATOM 0 H HIS A 41 2.805 17.250 -10.729 1.00 1.00 H new ATOM 0 HA HIS A 41 3.634 18.681 -8.246 1.00 1.00 H new ATOM 0 HB2 HIS A 41 2.185 19.465 -10.808 1.00 1.00 H new ATOM 0 HB3 HIS A 41 2.201 20.511 -9.402 1.00 1.00 H new ATOM 0 HD2 HIS A 41 5.467 18.483 -10.296 1.00 1.00 H new ATOM 0 HE1 HIS A 41 6.191 22.559 -11.117 1.00 1.00 H new ATOM 0 HE2 HIS A 41 7.295 20.252 -10.981 1.00 1.00 H new ATOM 277 N CYS A 42 1.388 17.102 -7.689 1.00 1.00 N ATOM 278 CA CYS A 42 0.104 16.791 -7.002 1.00 1.00 C ATOM 279 C CYS A 42 -1.065 17.173 -7.911 1.00 1.00 C ATOM 280 O CYS A 42 -1.879 18.011 -7.572 1.00 1.00 O ATOM 281 CB CYS A 42 0.019 17.588 -5.697 1.00 1.00 C ATOM 282 SG CYS A 42 -0.730 16.562 -4.406 1.00 1.00 S ATOM 0 H CYS A 42 2.105 16.380 -7.617 1.00 1.00 H new ATOM 0 HA CYS A 42 0.058 15.725 -6.780 1.00 1.00 H new ATOM 0 HB2 CYS A 42 1.014 17.908 -5.389 1.00 1.00 H new ATOM 0 HB3 CYS A 42 -0.574 18.490 -5.848 1.00 1.00 H new ATOM 283 N GLU A 43 -1.154 16.566 -9.063 1.00 1.00 N ATOM 284 CA GLU A 43 -2.271 16.890 -9.994 1.00 1.00 C ATOM 285 C GLU A 43 -3.011 15.603 -10.367 1.00 1.00 C ATOM 286 O GLU A 43 -3.375 15.391 -11.507 1.00 1.00 O ATOM 287 CB GLU A 43 -1.710 17.542 -11.260 1.00 1.00 C ATOM 288 CG GLU A 43 -0.771 16.563 -11.966 1.00 1.00 C ATOM 289 CD GLU A 43 0.107 17.325 -12.961 1.00 1.00 C ATOM 290 OE1 GLU A 43 0.637 18.358 -12.583 1.00 1.00 O ATOM 291 OE2 GLU A 43 0.235 16.864 -14.083 1.00 1.00 O ATOM 0 H GLU A 43 -0.500 15.859 -9.400 1.00 1.00 H new ATOM 0 HA GLU A 43 -2.961 17.579 -9.508 1.00 1.00 H new ATOM 0 HB2 GLU A 43 -2.524 17.826 -11.927 1.00 1.00 H new ATOM 0 HB3 GLU A 43 -1.174 18.456 -11.004 1.00 1.00 H new ATOM 0 HG2 GLU A 43 -0.148 16.049 -11.234 1.00 1.00 H new ATOM 0 HG3 GLU A 43 -1.349 15.799 -12.486 1.00 1.00 H new ATOM 292 N ILE A 44 -3.236 14.742 -9.412 1.00 1.00 N ATOM 293 CA ILE A 44 -3.951 13.467 -9.705 1.00 1.00 C ATOM 294 C ILE A 44 -4.789 13.066 -8.491 1.00 1.00 C ATOM 295 O ILE A 44 -4.468 13.399 -7.368 1.00 1.00 O ATOM 296 CB ILE A 44 -2.932 12.365 -10.002 1.00 1.00 C ATOM 297 CG1 ILE A 44 -1.904 12.879 -11.012 1.00 1.00 C ATOM 298 CG2 ILE A 44 -3.652 11.147 -10.584 1.00 1.00 C ATOM 299 CD1 ILE A 44 -0.939 11.750 -11.379 1.00 1.00 C ATOM 0 H ILE A 44 -2.955 14.867 -8.439 1.00 1.00 H new ATOM 0 HA ILE A 44 -4.600 13.605 -10.570 1.00 1.00 H new ATOM 0 HB ILE A 44 -2.425 12.082 -9.079 1.00 1.00 H new ATOM 0 HG12 ILE A 44 -2.409 13.245 -11.906 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -1.353 13.720 -10.590 1.00 1.00 H new ATOM 0 HG21 ILE A 44 -2.926 10.362 -10.796 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -4.385 10.780 -9.865 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -4.159 11.430 -11.506 1.00 1.00 H new ATOM 0 HD11 ILE A 44 -0.207 12.117 -12.099 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -0.425 11.405 -10.482 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -1.497 10.923 -11.818 1.00 1.00 H new ATOM 300 N ASP A 45 -5.859 12.352 -8.704 1.00 1.00 N ATOM 301 CA ASP A 45 -6.713 11.930 -7.559 1.00 1.00 C ATOM 302 C ASP A 45 -6.301 10.527 -7.105 1.00 1.00 C ATOM 303 O ASP A 45 -6.857 9.537 -7.537 1.00 1.00 O ATOM 304 CB ASP A 45 -8.180 11.916 -7.993 1.00 1.00 C ATOM 305 CG ASP A 45 -9.042 12.552 -6.902 1.00 1.00 C ATOM 306 OD1 ASP A 45 -8.526 12.768 -5.818 1.00 1.00 O ATOM 307 OD2 ASP A 45 -10.204 12.811 -7.168 1.00 1.00 O ATOM 0 H ASP A 45 -6.179 12.042 -9.622 1.00 1.00 H new ATOM 0 HA ASP A 45 -6.586 12.631 -6.734 1.00 1.00 H new ATOM 0 HB2 ASP A 45 -8.298 12.462 -8.929 1.00 1.00 H new ATOM 0 HB3 ASP A 45 -8.506 10.892 -8.178 1.00 1.00 H new ATOM 308 N LYS A 46 -5.330 10.435 -6.238 1.00 1.00 N ATOM 309 CA LYS A 46 -4.883 9.097 -5.759 1.00 1.00 C ATOM 310 C LYS A 46 -6.098 8.284 -5.309 1.00 1.00 C ATOM 311 O LYS A 46 -7.095 8.826 -4.875 1.00 1.00 O ATOM 312 CB LYS A 46 -3.922 9.272 -4.581 1.00 1.00 C ATOM 313 CG LYS A 46 -2.525 9.603 -5.107 1.00 1.00 C ATOM 314 CD LYS A 46 -1.499 9.407 -3.990 1.00 1.00 C ATOM 315 CE LYS A 46 -0.120 9.853 -4.479 1.00 1.00 C ATOM 316 NZ LYS A 46 0.877 9.678 -3.385 1.00 1.00 N ATOM 0 H LYS A 46 -4.827 11.229 -5.841 1.00 1.00 H new ATOM 0 HA LYS A 46 -4.375 8.573 -6.568 1.00 1.00 H new ATOM 0 HB2 LYS A 46 -4.274 10.069 -3.926 1.00 1.00 H new ATOM 0 HB3 LYS A 46 -3.891 8.360 -3.985 1.00 1.00 H new ATOM 0 HG2 LYS A 46 -2.283 8.962 -5.954 1.00 1.00 H new ATOM 0 HG3 LYS A 46 -2.495 10.631 -5.467 1.00 1.00 H new ATOM 0 HD2 LYS A 46 -1.788 9.983 -3.111 1.00 1.00 H new ATOM 0 HD3 LYS A 46 -1.469 8.360 -3.689 1.00 1.00 H new ATOM 0 HE2 LYS A 46 0.175 9.269 -5.351 1.00 1.00 H new ATOM 0 HE3 LYS A 46 -0.153 10.897 -4.791 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 1.814 9.981 -3.718 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 0.598 10.254 -2.565 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 0.916 8.676 -3.107 1.00 1.00 H new ATOM 317 N SER A 47 -6.024 6.985 -5.408 1.00 1.00 N ATOM 318 CA SER A 47 -7.172 6.137 -4.988 1.00 1.00 C ATOM 319 C SER A 47 -6.642 4.854 -4.340 1.00 1.00 C ATOM 320 O SER A 47 -5.670 4.875 -3.610 1.00 1.00 O ATOM 321 CB SER A 47 -8.019 5.792 -6.214 1.00 1.00 C ATOM 322 OG SER A 47 -9.298 5.341 -5.790 1.00 1.00 O ATOM 0 H SER A 47 -5.215 6.474 -5.763 1.00 1.00 H new ATOM 0 HA SER A 47 -7.787 6.675 -4.267 1.00 1.00 H new ATOM 0 HB2 SER A 47 -8.124 6.667 -6.856 1.00 1.00 H new ATOM 0 HB3 SER A 47 -7.526 5.020 -6.805 1.00 1.00 H new ATOM 0 HG SER A 47 -9.844 5.121 -6.574 1.00 1.00 H new ATOM 323 N LYS A 48 -7.267 3.737 -4.596 1.00 1.00 N ATOM 324 CA LYS A 48 -6.792 2.461 -3.991 1.00 1.00 C ATOM 325 C LYS A 48 -6.538 1.437 -5.098 1.00 1.00 C ATOM 326 O LYS A 48 -7.215 1.418 -6.106 1.00 1.00 O ATOM 327 CB LYS A 48 -7.858 1.923 -3.033 1.00 1.00 C ATOM 328 CG LYS A 48 -7.292 0.735 -2.253 1.00 1.00 C ATOM 329 CD LYS A 48 -6.787 1.212 -0.890 1.00 1.00 C ATOM 330 CE LYS A 48 -6.015 0.082 -0.206 1.00 1.00 C ATOM 331 NZ LYS A 48 -6.676 -0.260 1.085 1.00 1.00 N ATOM 0 H LYS A 48 -8.086 3.653 -5.198 1.00 1.00 H new ATOM 0 HA LYS A 48 -5.868 2.640 -3.442 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -8.172 2.707 -2.344 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -8.742 1.617 -3.592 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -8.061 -0.027 -2.121 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -6.479 0.273 -2.813 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -6.144 2.083 -1.014 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -7.627 1.522 -0.268 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -5.982 -0.794 -0.853 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -4.983 0.387 -0.029 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -6.152 -1.028 1.551 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -6.685 0.577 1.703 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -7.653 -0.568 0.904 1.00 1.00 H new ATOM 332 N THR A 49 -5.565 0.585 -4.921 1.00 1.00 N ATOM 333 CA THR A 49 -5.270 -0.435 -5.966 1.00 1.00 C ATOM 334 C THR A 49 -4.003 -1.203 -5.588 1.00 1.00 C ATOM 335 O THR A 49 -3.304 -0.850 -4.660 1.00 1.00 O ATOM 336 CB THR A 49 -5.060 0.261 -7.313 1.00 1.00 C ATOM 337 OG1 THR A 49 -4.227 -0.544 -8.135 1.00 1.00 O ATOM 338 CG2 THR A 49 -4.398 1.621 -7.088 1.00 1.00 C ATOM 0 H THR A 49 -4.962 0.552 -4.099 1.00 1.00 H new ATOM 0 HA THR A 49 -6.107 -1.129 -6.041 1.00 1.00 H new ATOM 0 HB THR A 49 -6.023 0.405 -7.803 1.00 1.00 H new ATOM 0 HG1 THR A 49 -4.093 -0.101 -8.999 1.00 1.00 H new ATOM 0 HG21 THR A 49 -4.249 2.116 -8.047 1.00 1.00 H new ATOM 0 HG22 THR A 49 -5.038 2.238 -6.457 1.00 1.00 H new ATOM 0 HG23 THR A 49 -3.434 1.480 -6.599 1.00 1.00 H new ATOM 339 N CYS A 50 -3.699 -2.252 -6.304 1.00 1.00 N ATOM 340 CA CYS A 50 -2.476 -3.042 -5.988 1.00 1.00 C ATOM 341 C CYS A 50 -1.862 -3.570 -7.286 1.00 1.00 C ATOM 342 O CYS A 50 -2.557 -4.023 -8.173 1.00 1.00 O ATOM 343 CB CYS A 50 -2.845 -4.218 -5.082 1.00 1.00 C ATOM 344 SG CYS A 50 -4.443 -4.898 -5.594 1.00 1.00 S ATOM 0 H CYS A 50 -4.245 -2.595 -7.094 1.00 1.00 H new ATOM 0 HA CYS A 50 -1.755 -2.405 -5.477 1.00 1.00 H new ATOM 0 HB2 CYS A 50 -2.076 -4.988 -5.137 1.00 1.00 H new ATOM 0 HB3 CYS A 50 -2.894 -3.890 -4.044 1.00 1.00 H new ATOM 345 N TYR A 51 -0.563 -3.514 -7.404 1.00 1.00 N ATOM 346 CA TYR A 51 0.094 -4.013 -8.645 1.00 1.00 C ATOM 347 C TYR A 51 0.112 -5.544 -8.642 1.00 1.00 C ATOM 348 O TYR A 51 -0.276 -6.177 -7.680 1.00 1.00 O ATOM 349 CB TYR A 51 1.529 -3.471 -8.717 1.00 1.00 C ATOM 350 CG TYR A 51 2.441 -4.257 -7.798 1.00 1.00 C ATOM 351 CD1 TYR A 51 1.934 -4.857 -6.635 1.00 1.00 C ATOM 352 CD2 TYR A 51 3.801 -4.383 -8.112 1.00 1.00 C ATOM 353 CE1 TYR A 51 2.786 -5.580 -5.790 1.00 1.00 C ATOM 354 CE2 TYR A 51 4.653 -5.106 -7.266 1.00 1.00 C ATOM 355 CZ TYR A 51 4.145 -5.704 -6.105 1.00 1.00 C ATOM 356 OH TYR A 51 4.985 -6.415 -5.272 1.00 1.00 O ATOM 0 H TYR A 51 0.071 -3.145 -6.695 1.00 1.00 H new ATOM 0 HA TYR A 51 -0.464 -3.668 -9.515 1.00 1.00 H new ATOM 0 HB2 TYR A 51 1.896 -3.532 -9.742 1.00 1.00 H new ATOM 0 HB3 TYR A 51 1.541 -2.418 -8.436 1.00 1.00 H new ATOM 0 HD1 TYR A 51 0.886 -4.761 -6.391 1.00 1.00 H new ATOM 0 HD2 TYR A 51 4.193 -3.922 -9.007 1.00 1.00 H new ATOM 0 HE1 TYR A 51 2.395 -6.042 -4.896 1.00 1.00 H new ATOM 0 HE2 TYR A 51 5.701 -5.202 -7.509 1.00 1.00 H new ATOM 0 HH TYR A 51 5.894 -6.404 -5.637 1.00 1.00 H new ATOM 357 N GLU A 52 0.559 -6.144 -9.711 1.00 1.00 N ATOM 358 CA GLU A 52 0.601 -7.632 -9.769 1.00 1.00 C ATOM 359 C GLU A 52 2.049 -8.107 -9.630 1.00 1.00 C ATOM 360 O GLU A 52 2.501 -8.973 -10.353 1.00 1.00 O ATOM 361 CB GLU A 52 0.036 -8.106 -11.109 1.00 1.00 C ATOM 362 CG GLU A 52 -1.454 -7.764 -11.186 1.00 1.00 C ATOM 363 CD GLU A 52 -1.804 -7.324 -12.608 1.00 1.00 C ATOM 364 OE1 GLU A 52 -1.229 -6.350 -13.064 1.00 1.00 O ATOM 365 OE2 GLU A 52 -2.642 -7.969 -13.217 1.00 1.00 O ATOM 0 H GLU A 52 0.897 -5.668 -10.547 1.00 1.00 H new ATOM 0 HA GLU A 52 0.003 -8.044 -8.956 1.00 1.00 H new ATOM 0 HB2 GLU A 52 0.572 -7.630 -11.930 1.00 1.00 H new ATOM 0 HB3 GLU A 52 0.179 -9.181 -11.216 1.00 1.00 H new ATOM 0 HG2 GLU A 52 -2.052 -8.631 -10.905 1.00 1.00 H new ATOM 0 HG3 GLU A 52 -1.693 -6.969 -10.479 1.00 1.00 H new ATOM 366 N GLY A 53 2.781 -7.546 -8.706 1.00 1.00 N ATOM 367 CA GLY A 53 4.200 -7.963 -8.521 1.00 1.00 C ATOM 368 C GLY A 53 4.986 -7.691 -9.803 1.00 1.00 C ATOM 369 O GLY A 53 4.494 -7.887 -10.897 1.00 1.00 O ATOM 0 H GLY A 53 2.457 -6.816 -8.071 1.00 1.00 H new ATOM 0 HA2 GLY A 53 4.644 -7.418 -7.688 1.00 1.00 H new ATOM 0 HA3 GLY A 53 4.248 -9.023 -8.271 1.00 1.00 H new ATOM 370 N ASN A 54 6.205 -7.243 -9.671 1.00 1.00 N ATOM 371 CA ASN A 54 7.039 -6.954 -10.875 1.00 1.00 C ATOM 372 C ASN A 54 6.177 -6.294 -11.954 1.00 1.00 C ATOM 373 O ASN A 54 5.644 -6.953 -12.825 1.00 1.00 O ATOM 374 CB ASN A 54 7.625 -8.262 -11.414 1.00 1.00 C ATOM 375 CG ASN A 54 6.492 -9.184 -11.867 1.00 1.00 C ATOM 376 OD1 ASN A 54 5.842 -9.812 -11.055 1.00 1.00 O ATOM 377 ND2 ASN A 54 6.226 -9.294 -13.140 1.00 1.00 N ATOM 0 H ASN A 54 6.662 -7.064 -8.777 1.00 1.00 H new ATOM 0 HA ASN A 54 7.849 -6.278 -10.601 1.00 1.00 H new ATOM 0 HB2 ASN A 54 8.295 -8.055 -12.249 1.00 1.00 H new ATOM 0 HB3 ASN A 54 8.219 -8.751 -10.642 1.00 1.00 H new ATOM 0 HD21 ASN A 54 5.473 -9.907 -13.453 1.00 1.00 H new ATOM 0 HD22 ASN A 54 6.771 -8.767 -13.822 1.00 1.00 H new ATOM 378 N GLY A 55 6.030 -4.998 -11.903 1.00 1.00 N ATOM 379 CA GLY A 55 5.196 -4.304 -12.926 1.00 1.00 C ATOM 380 C GLY A 55 5.980 -3.138 -13.534 1.00 1.00 C ATOM 381 O GLY A 55 5.821 -2.815 -14.694 1.00 1.00 O ATOM 0 H GLY A 55 6.450 -4.391 -11.199 1.00 1.00 H new ATOM 0 HA2 GLY A 55 4.906 -5.006 -13.708 1.00 1.00 H new ATOM 0 HA3 GLY A 55 4.277 -3.937 -12.470 1.00 1.00 H new ATOM 382 N HIS A 56 6.819 -2.504 -12.758 1.00 1.00 N ATOM 383 CA HIS A 56 7.615 -1.354 -13.283 1.00 1.00 C ATOM 384 C HIS A 56 6.746 -0.094 -13.302 1.00 1.00 C ATOM 385 O HIS A 56 6.911 0.796 -12.491 1.00 1.00 O ATOM 386 CB HIS A 56 8.106 -1.661 -14.701 1.00 1.00 C ATOM 387 CG HIS A 56 9.239 -0.736 -15.050 1.00 1.00 C ATOM 388 ND1 HIS A 56 10.353 -0.592 -14.238 1.00 1.00 N ATOM 389 CD2 HIS A 56 9.446 0.099 -16.121 1.00 1.00 C ATOM 390 CE1 HIS A 56 11.172 0.299 -14.827 1.00 1.00 C ATOM 391 NE2 HIS A 56 10.667 0.752 -15.978 1.00 1.00 N ATOM 0 H HIS A 56 6.988 -2.734 -11.779 1.00 1.00 H new ATOM 0 HA HIS A 56 8.476 -1.192 -12.635 1.00 1.00 H new ATOM 0 HB2 HIS A 56 8.435 -2.698 -14.767 1.00 1.00 H new ATOM 0 HB3 HIS A 56 7.291 -1.540 -15.414 1.00 1.00 H new ATOM 0 HD2 HIS A 56 8.765 0.229 -16.949 1.00 1.00 H new ATOM 0 HE1 HIS A 56 12.122 0.610 -14.419 1.00 1.00 H new ATOM 0 HE2 HIS A 56 11.086 1.430 -16.615 1.00 1.00 H new ATOM 392 N PHE A 57 5.821 -0.007 -14.220 1.00 1.00 N ATOM 393 CA PHE A 57 4.949 1.199 -14.284 1.00 1.00 C ATOM 394 C PHE A 57 3.563 0.858 -13.732 1.00 1.00 C ATOM 395 O PHE A 57 2.554 1.291 -14.252 1.00 1.00 O ATOM 396 CB PHE A 57 4.818 1.658 -15.737 1.00 1.00 C ATOM 397 CG PHE A 57 4.718 0.452 -16.637 1.00 1.00 C ATOM 398 CD1 PHE A 57 3.594 -0.382 -16.568 1.00 1.00 C ATOM 399 CD2 PHE A 57 5.750 0.164 -17.540 1.00 1.00 C ATOM 400 CE1 PHE A 57 3.502 -1.503 -17.402 1.00 1.00 C ATOM 401 CE2 PHE A 57 5.657 -0.957 -18.375 1.00 1.00 C ATOM 402 CZ PHE A 57 4.533 -1.791 -18.306 1.00 1.00 C ATOM 0 H PHE A 57 5.633 -0.718 -14.927 1.00 1.00 H new ATOM 0 HA PHE A 57 5.392 1.997 -13.688 1.00 1.00 H new ATOM 0 HB2 PHE A 57 3.935 2.286 -15.853 1.00 1.00 H new ATOM 0 HB3 PHE A 57 5.679 2.264 -16.017 1.00 1.00 H new ATOM 0 HD1 PHE A 57 2.799 -0.160 -15.872 1.00 1.00 H new ATOM 0 HD2 PHE A 57 6.617 0.806 -17.592 1.00 1.00 H new ATOM 0 HE1 PHE A 57 2.636 -2.146 -17.348 1.00 1.00 H new ATOM 0 HE2 PHE A 57 6.452 -1.178 -19.072 1.00 1.00 H new ATOM 0 HZ PHE A 57 4.461 -2.655 -18.949 1.00 1.00 H new ATOM 403 N TYR A 58 3.506 0.086 -12.682 1.00 1.00 N ATOM 404 CA TYR A 58 2.184 -0.279 -12.100 1.00 1.00 C ATOM 405 C TYR A 58 1.410 0.996 -11.756 1.00 1.00 C ATOM 406 O TYR A 58 1.851 2.094 -12.032 1.00 1.00 O ATOM 407 CB TYR A 58 2.395 -1.106 -10.830 1.00 1.00 C ATOM 408 CG TYR A 58 3.363 -0.393 -9.918 1.00 1.00 C ATOM 409 CD1 TYR A 58 2.978 0.792 -9.275 1.00 1.00 C ATOM 410 CD2 TYR A 58 4.647 -0.915 -9.712 1.00 1.00 C ATOM 411 CE1 TYR A 58 3.876 1.453 -8.427 1.00 1.00 C ATOM 412 CE2 TYR A 58 5.545 -0.254 -8.864 1.00 1.00 C ATOM 413 CZ TYR A 58 5.160 0.930 -8.222 1.00 1.00 C ATOM 414 OH TYR A 58 6.045 1.581 -7.386 1.00 1.00 O ATOM 0 H TYR A 58 4.316 -0.307 -12.203 1.00 1.00 H new ATOM 0 HA TYR A 58 1.618 -0.865 -12.824 1.00 1.00 H new ATOM 0 HB2 TYR A 58 1.444 -1.258 -10.320 1.00 1.00 H new ATOM 0 HB3 TYR A 58 2.780 -2.093 -11.086 1.00 1.00 H new ATOM 0 HD1 TYR A 58 1.989 1.195 -9.434 1.00 1.00 H new ATOM 0 HD2 TYR A 58 4.944 -1.827 -10.207 1.00 1.00 H new ATOM 0 HE1 TYR A 58 3.579 2.365 -7.931 1.00 1.00 H new ATOM 0 HE2 TYR A 58 6.534 -0.657 -8.705 1.00 1.00 H new ATOM 0 HH TYR A 58 6.957 1.471 -7.726 1.00 1.00 H new ATOM 415 N ARG A 59 0.259 0.860 -11.157 1.00 1.00 N ATOM 416 CA ARG A 59 -0.540 2.066 -10.798 1.00 1.00 C ATOM 417 C ARG A 59 -1.063 1.926 -9.367 1.00 1.00 C ATOM 418 O ARG A 59 -1.964 2.628 -8.954 1.00 1.00 O ATOM 419 CB ARG A 59 -1.721 2.200 -11.762 1.00 1.00 C ATOM 420 CG ARG A 59 -1.207 2.587 -13.150 1.00 1.00 C ATOM 421 CD ARG A 59 -0.643 1.349 -13.849 1.00 1.00 C ATOM 422 NE ARG A 59 -1.265 1.213 -15.196 1.00 1.00 N ATOM 423 CZ ARG A 59 -1.533 0.028 -15.674 1.00 1.00 C ATOM 424 NH1 ARG A 59 -2.310 -0.783 -15.011 1.00 1.00 N ATOM 425 NH2 ARG A 59 -1.022 -0.345 -16.816 1.00 1.00 N ATOM 0 H ARG A 59 -0.163 -0.033 -10.901 1.00 1.00 H new ATOM 0 HA ARG A 59 0.090 2.953 -10.868 1.00 1.00 H new ATOM 0 HB2 ARG A 59 -2.269 1.259 -11.815 1.00 1.00 H new ATOM 0 HB3 ARG A 59 -2.418 2.955 -11.397 1.00 1.00 H new ATOM 0 HG2 ARG A 59 -2.015 3.015 -13.742 1.00 1.00 H new ATOM 0 HG3 ARG A 59 -0.435 3.352 -13.063 1.00 1.00 H new ATOM 0 HD2 ARG A 59 0.440 1.433 -13.943 1.00 1.00 H new ATOM 0 HD3 ARG A 59 -0.843 0.459 -13.253 1.00 1.00 H new ATOM 0 HE ARG A 59 -1.481 2.045 -15.744 1.00 1.00 H new ATOM 0 HH11 ARG A 59 -2.709 -0.492 -14.119 1.00 1.00 H new ATOM 0 HH12 ARG A 59 -2.519 -1.709 -15.385 1.00 1.00 H new ATOM 0 HH21 ARG A 59 -0.414 0.289 -17.334 1.00 1.00 H new ATOM 0 HH22 ARG A 59 -1.231 -1.271 -17.190 1.00 1.00 H new ATOM 426 N GLY A 60 -0.505 1.024 -8.607 1.00 1.00 N ATOM 427 CA GLY A 60 -0.970 0.841 -7.202 1.00 1.00 C ATOM 428 C GLY A 60 -0.376 1.940 -6.320 1.00 1.00 C ATOM 429 O GLY A 60 -0.698 3.103 -6.459 1.00 1.00 O ATOM 0 H GLY A 60 0.253 0.406 -8.898 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -2.059 0.876 -7.161 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -0.668 -0.139 -6.833 1.00 1.00 H new ATOM 430 N LYS A 61 0.491 1.582 -5.412 1.00 1.00 N ATOM 431 CA LYS A 61 1.105 2.607 -4.523 1.00 1.00 C ATOM 432 C LYS A 61 2.211 1.961 -3.687 1.00 1.00 C ATOM 433 O LYS A 61 2.867 1.033 -4.118 1.00 1.00 O ATOM 434 CB LYS A 61 0.035 3.186 -3.596 1.00 1.00 C ATOM 435 CG LYS A 61 0.389 4.634 -3.252 1.00 1.00 C ATOM 436 CD LYS A 61 -0.829 5.529 -3.490 1.00 1.00 C ATOM 437 CE LYS A 61 -1.082 5.659 -4.993 1.00 1.00 C ATOM 438 NZ LYS A 61 -2.506 5.335 -5.288 1.00 1.00 N ATOM 0 H LYS A 61 0.800 0.624 -5.248 1.00 1.00 H new ATOM 0 HA LYS A 61 1.530 3.407 -5.130 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -0.941 3.144 -4.079 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -0.034 2.591 -2.685 1.00 1.00 H new ATOM 0 HG2 LYS A 61 0.707 4.704 -2.212 1.00 1.00 H new ATOM 0 HG3 LYS A 61 1.226 4.970 -3.865 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -1.705 5.107 -2.998 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -0.661 6.513 -3.052 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -0.852 6.672 -5.325 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -0.424 4.986 -5.543 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -2.678 5.423 -6.310 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -2.710 4.361 -4.986 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -3.126 5.994 -4.775 1.00 1.00 H new ATOM 439 N ALA A 62 2.426 2.444 -2.493 1.00 1.00 N ATOM 440 CA ALA A 62 3.492 1.857 -1.633 1.00 1.00 C ATOM 441 C ALA A 62 4.862 2.193 -2.224 1.00 1.00 C ATOM 442 O ALA A 62 5.662 1.321 -2.500 1.00 1.00 O ATOM 443 CB ALA A 62 3.321 0.337 -1.574 1.00 1.00 C ATOM 0 H ALA A 62 1.910 3.219 -2.077 1.00 1.00 H new ATOM 0 HA ALA A 62 3.417 2.270 -0.627 1.00 1.00 H new ATOM 0 HB1 ALA A 62 4.101 -0.093 -0.945 1.00 1.00 H new ATOM 0 HB2 ALA A 62 2.344 0.097 -1.156 1.00 1.00 H new ATOM 0 HB3 ALA A 62 3.397 -0.077 -2.579 1.00 1.00 H new ATOM 444 N SER A 63 5.138 3.453 -2.424 1.00 1.00 N ATOM 445 CA SER A 63 6.454 3.845 -3.000 1.00 1.00 C ATOM 446 C SER A 63 7.531 3.780 -1.915 1.00 1.00 C ATOM 447 O SER A 63 8.710 3.732 -2.202 1.00 1.00 O ATOM 448 CB SER A 63 6.367 5.271 -3.546 1.00 1.00 C ATOM 449 OG SER A 63 5.136 5.434 -4.238 1.00 1.00 O ATOM 0 H SER A 63 4.508 4.227 -2.213 1.00 1.00 H new ATOM 0 HA SER A 63 6.713 3.160 -3.808 1.00 1.00 H new ATOM 0 HB2 SER A 63 6.437 5.990 -2.730 1.00 1.00 H new ATOM 0 HB3 SER A 63 7.203 5.468 -4.217 1.00 1.00 H new ATOM 0 HG SER A 63 5.203 6.197 -4.849 1.00 1.00 H new ATOM 450 N THR A 64 7.138 3.781 -0.670 1.00 1.00 N ATOM 451 CA THR A 64 8.148 3.722 0.424 1.00 1.00 C ATOM 452 C THR A 64 8.884 2.382 0.369 1.00 1.00 C ATOM 453 O THR A 64 8.344 1.384 -0.065 1.00 1.00 O ATOM 454 CB THR A 64 7.453 3.856 1.783 1.00 1.00 C ATOM 455 OG1 THR A 64 6.519 2.798 1.941 1.00 1.00 O ATOM 456 CG2 THR A 64 6.724 5.197 1.865 1.00 1.00 C ATOM 0 H THR A 64 6.166 3.820 -0.364 1.00 1.00 H new ATOM 0 HA THR A 64 8.858 4.539 0.297 1.00 1.00 H new ATOM 0 HB THR A 64 8.200 3.807 2.575 1.00 1.00 H new ATOM 0 HG1 THR A 64 5.864 3.040 2.628 1.00 1.00 H new ATOM 0 HG21 THR A 64 6.232 5.285 2.834 1.00 1.00 H new ATOM 0 HG22 THR A 64 7.442 6.009 1.747 1.00 1.00 H new ATOM 0 HG23 THR A 64 5.978 5.254 1.073 1.00 1.00 H new ATOM 457 N ASP A 65 10.111 2.353 0.811 1.00 1.00 N ATOM 458 CA ASP A 65 10.882 1.077 0.792 1.00 1.00 C ATOM 459 C ASP A 65 10.115 0.017 1.595 1.00 1.00 C ATOM 460 O ASP A 65 8.929 0.144 1.818 1.00 1.00 O ATOM 461 CB ASP A 65 12.263 1.318 1.410 1.00 1.00 C ATOM 462 CG ASP A 65 12.138 2.285 2.589 1.00 1.00 C ATOM 463 OD1 ASP A 65 11.533 1.906 3.579 1.00 1.00 O ATOM 464 OD2 ASP A 65 12.648 3.387 2.482 1.00 1.00 O ATOM 0 H ASP A 65 10.614 3.158 1.185 1.00 1.00 H new ATOM 0 HA ASP A 65 11.008 0.725 -0.232 1.00 1.00 H new ATOM 0 HB2 ASP A 65 12.692 0.374 1.745 1.00 1.00 H new ATOM 0 HB3 ASP A 65 12.941 1.728 0.661 1.00 1.00 H new ATOM 465 N THR A 66 10.773 -1.024 2.039 1.00 1.00 N ATOM 466 CA THR A 66 10.066 -2.071 2.826 1.00 1.00 C ATOM 467 C THR A 66 10.037 -1.666 4.300 1.00 1.00 C ATOM 468 O THR A 66 9.961 -2.501 5.180 1.00 1.00 O ATOM 469 CB THR A 66 10.802 -3.405 2.679 1.00 1.00 C ATOM 470 OG1 THR A 66 11.997 -3.371 3.446 1.00 1.00 O ATOM 471 CG2 THR A 66 11.144 -3.643 1.208 1.00 1.00 C ATOM 0 H THR A 66 11.768 -1.191 1.889 1.00 1.00 H new ATOM 0 HA THR A 66 9.046 -2.176 2.457 1.00 1.00 H new ATOM 0 HB THR A 66 10.164 -4.213 3.035 1.00 1.00 H new ATOM 0 HG1 THR A 66 12.469 -4.225 3.355 1.00 1.00 H new ATOM 0 HG21 THR A 66 11.668 -4.593 1.105 1.00 1.00 H new ATOM 0 HG22 THR A 66 10.226 -3.670 0.621 1.00 1.00 H new ATOM 0 HG23 THR A 66 11.782 -2.836 0.848 1.00 1.00 H new ATOM 472 N MET A 67 10.092 -0.393 4.579 1.00 1.00 N ATOM 473 CA MET A 67 10.062 0.056 5.991 1.00 1.00 C ATOM 474 C MET A 67 8.958 1.100 6.144 1.00 1.00 C ATOM 475 O MET A 67 8.246 1.134 7.128 1.00 1.00 O ATOM 476 CB MET A 67 11.412 0.672 6.366 1.00 1.00 C ATOM 477 CG MET A 67 12.307 -0.401 6.989 1.00 1.00 C ATOM 478 SD MET A 67 13.942 -0.346 6.215 1.00 1.00 S ATOM 479 CE MET A 67 13.382 -0.448 4.497 1.00 1.00 C ATOM 0 H MET A 67 10.156 0.353 3.887 1.00 1.00 H new ATOM 0 HA MET A 67 9.868 -0.791 6.648 1.00 1.00 H new ATOM 0 HB2 MET A 67 11.891 1.091 5.481 1.00 1.00 H new ATOM 0 HB3 MET A 67 11.267 1.492 7.069 1.00 1.00 H new ATOM 0 HG2 MET A 67 12.396 -0.237 8.063 1.00 1.00 H new ATOM 0 HG3 MET A 67 11.861 -1.386 6.852 1.00 1.00 H new ATOM 0 HE1 MET A 67 14.109 -1.010 3.910 1.00 1.00 H new ATOM 0 HE2 MET A 67 12.417 -0.953 4.458 1.00 1.00 H new ATOM 0 HE3 MET A 67 13.283 0.557 4.086 1.00 1.00 H new ATOM 480 N GLY A 68 8.808 1.946 5.163 1.00 1.00 N ATOM 481 CA GLY A 68 7.748 2.987 5.224 1.00 1.00 C ATOM 482 C GLY A 68 8.337 4.345 4.846 1.00 1.00 C ATOM 483 O GLY A 68 7.624 5.314 4.673 1.00 1.00 O ATOM 0 H GLY A 68 9.378 1.960 4.317 1.00 1.00 H new ATOM 0 HA2 GLY A 68 6.934 2.731 4.545 1.00 1.00 H new ATOM 0 HA3 GLY A 68 7.325 3.030 6.227 1.00 1.00 H new ATOM 484 N ARG A 69 9.632 4.428 4.708 1.00 1.00 N ATOM 485 CA ARG A 69 10.250 5.730 4.332 1.00 1.00 C ATOM 486 C ARG A 69 9.889 6.046 2.881 1.00 1.00 C ATOM 487 O ARG A 69 9.733 5.149 2.078 1.00 1.00 O ATOM 488 CB ARG A 69 11.774 5.651 4.456 1.00 1.00 C ATOM 489 CG ARG A 69 12.162 4.933 5.748 1.00 1.00 C ATOM 490 CD ARG A 69 13.349 4.010 5.468 1.00 1.00 C ATOM 491 NE ARG A 69 13.601 3.149 6.658 1.00 1.00 N ATOM 492 CZ ARG A 69 14.760 2.568 6.808 1.00 1.00 C ATOM 493 NH1 ARG A 69 15.415 2.138 5.764 1.00 1.00 N ATOM 494 NH2 ARG A 69 15.264 2.416 8.002 1.00 1.00 N ATOM 0 H ARG A 69 10.285 3.655 4.838 1.00 1.00 H new ATOM 0 HA ARG A 69 9.878 6.508 4.999 1.00 1.00 H new ATOM 0 HB2 ARG A 69 12.189 5.121 3.598 1.00 1.00 H new ATOM 0 HB3 ARG A 69 12.199 6.655 4.447 1.00 1.00 H new ATOM 0 HG2 ARG A 69 12.423 5.659 6.518 1.00 1.00 H new ATOM 0 HG3 ARG A 69 11.318 4.356 6.126 1.00 1.00 H new ATOM 0 HD2 ARG A 69 13.144 3.391 4.595 1.00 1.00 H new ATOM 0 HD3 ARG A 69 14.236 4.600 5.239 1.00 1.00 H new ATOM 0 HE ARG A 69 12.868 3.014 7.355 1.00 1.00 H new ATOM 0 HH11 ARG A 69 15.021 2.256 4.831 1.00 1.00 H new ATOM 0 HH12 ARG A 69 16.321 1.684 5.882 1.00 1.00 H new ATOM 0 HH21 ARG A 69 14.752 2.751 8.818 1.00 1.00 H new ATOM 0 HH22 ARG A 69 16.170 1.962 8.119 1.00 1.00 H new ATOM 495 N PRO A 70 9.778 7.314 2.585 1.00 1.00 N ATOM 496 CA PRO A 70 9.449 7.760 1.242 1.00 1.00 C ATOM 497 C PRO A 70 10.639 7.529 0.305 1.00 1.00 C ATOM 498 O PRO A 70 10.567 7.787 -0.880 1.00 1.00 O ATOM 499 CB PRO A 70 9.158 9.248 1.395 1.00 1.00 C ATOM 500 CG PRO A 70 9.964 9.649 2.670 1.00 1.00 C ATOM 501 CD PRO A 70 9.975 8.385 3.575 1.00 1.00 C ATOM 0 HA PRO A 70 8.605 7.221 0.812 1.00 1.00 H new ATOM 0 HB2 PRO A 70 9.483 9.812 0.521 1.00 1.00 H new ATOM 0 HB3 PRO A 70 8.092 9.438 1.518 1.00 1.00 H new ATOM 0 HG2 PRO A 70 10.978 9.955 2.412 1.00 1.00 H new ATOM 0 HG3 PRO A 70 9.497 10.492 3.180 1.00 1.00 H new ATOM 0 HD2 PRO A 70 10.915 8.276 4.116 1.00 1.00 H new ATOM 0 HD3 PRO A 70 9.179 8.407 4.320 1.00 1.00 H new ATOM 502 N CYS A 71 11.733 7.043 0.829 1.00 1.00 N ATOM 503 CA CYS A 71 12.926 6.792 -0.027 1.00 1.00 C ATOM 504 C CYS A 71 13.449 8.126 -0.568 1.00 1.00 C ATOM 505 O CYS A 71 12.844 9.162 -0.377 1.00 1.00 O ATOM 506 CB CYS A 71 12.531 5.883 -1.194 1.00 1.00 C ATOM 507 SG CYS A 71 14.001 5.463 -2.163 1.00 1.00 S ATOM 0 H CYS A 71 11.851 6.809 1.815 1.00 1.00 H new ATOM 0 HA CYS A 71 13.706 6.307 0.561 1.00 1.00 H new ATOM 0 HB2 CYS A 71 12.060 4.975 -0.817 1.00 1.00 H new ATOM 0 HB3 CYS A 71 11.798 6.384 -1.826 1.00 1.00 H new ATOM 508 N LEU A 72 14.566 8.111 -1.243 1.00 1.00 N ATOM 509 CA LEU A 72 15.116 9.383 -1.792 1.00 1.00 C ATOM 510 C LEU A 72 14.587 9.591 -3.215 1.00 1.00 C ATOM 511 O LEU A 72 14.873 8.801 -4.093 1.00 1.00 O ATOM 512 CB LEU A 72 16.644 9.307 -1.845 1.00 1.00 C ATOM 513 CG LEU A 72 17.191 8.891 -0.481 1.00 1.00 C ATOM 514 CD1 LEU A 72 18.439 8.029 -0.675 1.00 1.00 C ATOM 515 CD2 LEU A 72 17.558 10.142 0.318 1.00 1.00 C ATOM 0 H LEU A 72 15.120 7.277 -1.438 1.00 1.00 H new ATOM 0 HA LEU A 72 14.810 10.210 -1.151 1.00 1.00 H new ATOM 0 HB2 LEU A 72 16.955 8.591 -2.605 1.00 1.00 H new ATOM 0 HB3 LEU A 72 17.055 10.275 -2.132 1.00 1.00 H new ATOM 0 HG LEU A 72 16.435 8.320 0.058 1.00 1.00 H new ATOM 0 HD11 LEU A 72 18.830 7.731 0.298 1.00 1.00 H new ATOM 0 HD12 LEU A 72 18.181 7.140 -1.250 1.00 1.00 H new ATOM 0 HD13 LEU A 72 19.196 8.601 -1.211 1.00 1.00 H new ATOM 0 HD21 LEU A 72 17.949 9.850 1.293 1.00 1.00 H new ATOM 0 HD22 LEU A 72 18.316 10.709 -0.222 1.00 1.00 H new ATOM 0 HD23 LEU A 72 16.671 10.760 0.454 1.00 1.00 H new ATOM 516 N PRO A 73 13.841 10.649 -3.413 1.00 1.00 N ATOM 517 CA PRO A 73 13.297 10.953 -4.725 1.00 1.00 C ATOM 518 C PRO A 73 14.429 10.927 -5.752 1.00 1.00 C ATOM 519 O PRO A 73 15.490 11.463 -5.523 1.00 1.00 O ATOM 520 CB PRO A 73 12.720 12.358 -4.583 1.00 1.00 C ATOM 521 CG PRO A 73 12.416 12.472 -3.056 1.00 1.00 C ATOM 522 CD PRO A 73 13.496 11.604 -2.350 1.00 1.00 C ATOM 0 HA PRO A 73 12.542 10.241 -5.058 1.00 1.00 H new ATOM 0 HB2 PRO A 73 13.429 13.119 -4.909 1.00 1.00 H new ATOM 0 HB3 PRO A 73 11.819 12.485 -5.183 1.00 1.00 H new ATOM 0 HG2 PRO A 73 12.466 13.508 -2.722 1.00 1.00 H new ATOM 0 HG3 PRO A 73 11.413 12.112 -2.828 1.00 1.00 H new ATOM 0 HD2 PRO A 73 14.356 12.195 -2.034 1.00 1.00 H new ATOM 0 HD3 PRO A 73 13.107 11.107 -1.461 1.00 1.00 H new ATOM 523 N TRP A 74 14.221 10.298 -6.875 1.00 1.00 N ATOM 524 CA TRP A 74 15.305 10.234 -7.901 1.00 1.00 C ATOM 525 C TRP A 74 15.915 11.628 -8.103 1.00 1.00 C ATOM 526 O TRP A 74 17.035 11.762 -8.555 1.00 1.00 O ATOM 527 CB TRP A 74 14.739 9.710 -9.228 1.00 1.00 C ATOM 528 CG TRP A 74 13.762 8.608 -8.957 1.00 1.00 C ATOM 529 CD1 TRP A 74 12.423 8.764 -8.842 1.00 1.00 C ATOM 530 CD2 TRP A 74 14.026 7.187 -8.768 1.00 1.00 C ATOM 531 NE1 TRP A 74 11.849 7.531 -8.582 1.00 1.00 N ATOM 532 CE2 TRP A 74 12.796 6.527 -8.530 1.00 1.00 C ATOM 533 CE3 TRP A 74 15.204 6.414 -8.777 1.00 1.00 C ATOM 534 CZ2 TRP A 74 12.737 5.150 -8.307 1.00 1.00 C ATOM 535 CZ3 TRP A 74 15.147 5.027 -8.555 1.00 1.00 C ATOM 536 CH2 TRP A 74 13.916 4.397 -8.320 1.00 1.00 C ATOM 0 H TRP A 74 13.353 9.827 -7.128 1.00 1.00 H new ATOM 0 HA TRP A 74 16.083 9.553 -7.556 1.00 1.00 H new ATOM 0 HB2 TRP A 74 14.249 10.519 -9.771 1.00 1.00 H new ATOM 0 HB3 TRP A 74 15.548 9.345 -9.861 1.00 1.00 H new ATOM 0 HD1 TRP A 74 11.889 9.698 -8.937 1.00 1.00 H new ATOM 0 HE1 TRP A 74 10.849 7.382 -8.446 1.00 1.00 H new ATOM 0 HE3 TRP A 74 16.157 6.890 -8.956 1.00 1.00 H new ATOM 0 HZ2 TRP A 74 11.787 4.669 -8.126 1.00 1.00 H new ATOM 0 HZ3 TRP A 74 16.056 4.443 -8.565 1.00 1.00 H new ATOM 0 HH2 TRP A 74 13.878 3.331 -8.149 1.00 1.00 H new ATOM 537 N ASN A 75 15.196 12.668 -7.772 1.00 1.00 N ATOM 538 CA ASN A 75 15.749 14.045 -7.950 1.00 1.00 C ATOM 539 C ASN A 75 16.788 14.342 -6.861 1.00 1.00 C ATOM 540 O ASN A 75 17.819 14.925 -7.128 1.00 1.00 O ATOM 541 CB ASN A 75 14.614 15.067 -7.866 1.00 1.00 C ATOM 542 CG ASN A 75 13.877 14.905 -6.535 1.00 1.00 C ATOM 543 OD1 ASN A 75 14.423 15.189 -5.487 1.00 1.00 O ATOM 544 ND2 ASN A 75 12.651 14.459 -6.533 1.00 1.00 N ATOM 0 H ASN A 75 14.252 12.625 -7.387 1.00 1.00 H new ATOM 0 HA ASN A 75 16.229 14.111 -8.926 1.00 1.00 H new ATOM 0 HB2 ASN A 75 15.014 16.078 -7.952 1.00 1.00 H new ATOM 0 HB3 ASN A 75 13.922 14.926 -8.696 1.00 1.00 H new ATOM 0 HD21 ASN A 75 12.150 14.348 -5.651 1.00 1.00 H new ATOM 0 HD22 ASN A 75 12.193 14.221 -7.413 1.00 1.00 H new ATOM 545 N SER A 76 16.514 13.950 -5.640 1.00 1.00 N ATOM 546 CA SER A 76 17.461 14.197 -4.515 1.00 1.00 C ATOM 547 C SER A 76 18.893 14.105 -5.022 1.00 1.00 C ATOM 548 O SER A 76 19.391 13.044 -5.326 1.00 1.00 O ATOM 549 CB SER A 76 17.239 13.149 -3.424 1.00 1.00 C ATOM 550 OG SER A 76 17.090 13.802 -2.170 1.00 1.00 O ATOM 0 H SER A 76 15.659 13.461 -5.375 1.00 1.00 H new ATOM 0 HA SER A 76 17.286 15.192 -4.107 1.00 1.00 H new ATOM 0 HB2 SER A 76 16.351 12.557 -3.647 1.00 1.00 H new ATOM 0 HB3 SER A 76 18.082 12.459 -3.390 1.00 1.00 H new ATOM 0 HG SER A 76 16.946 13.133 -1.468 1.00 1.00 H new ATOM 551 N ALA A 77 19.532 15.229 -5.129 1.00 1.00 N ATOM 552 CA ALA A 77 20.939 15.285 -5.641 1.00 1.00 C ATOM 553 C ALA A 77 21.717 14.024 -5.248 1.00 1.00 C ATOM 554 O ALA A 77 22.563 13.558 -5.985 1.00 1.00 O ATOM 555 CB ALA A 77 21.640 16.511 -5.053 1.00 1.00 C ATOM 0 H ALA A 77 19.137 16.136 -4.880 1.00 1.00 H new ATOM 0 HA ALA A 77 20.909 15.350 -6.729 1.00 1.00 H new ATOM 0 HB1 ALA A 77 22.664 16.556 -5.422 1.00 1.00 H new ATOM 0 HB2 ALA A 77 21.106 17.413 -5.351 1.00 1.00 H new ATOM 0 HB3 ALA A 77 21.649 16.438 -3.965 1.00 1.00 H new ATOM 556 N THR A 78 21.440 13.458 -4.106 1.00 1.00 N ATOM 557 CA THR A 78 22.172 12.223 -3.700 1.00 1.00 C ATOM 558 C THR A 78 21.969 11.147 -4.765 1.00 1.00 C ATOM 559 O THR A 78 22.904 10.714 -5.409 1.00 1.00 O ATOM 560 CB THR A 78 21.620 11.715 -2.367 1.00 1.00 C ATOM 561 OG1 THR A 78 21.337 12.820 -1.520 1.00 1.00 O ATOM 562 CG2 THR A 78 22.651 10.805 -1.697 1.00 1.00 C ATOM 0 H THR A 78 20.744 13.793 -3.440 1.00 1.00 H new ATOM 0 HA THR A 78 23.233 12.448 -3.594 1.00 1.00 H new ATOM 0 HB THR A 78 20.705 11.151 -2.545 1.00 1.00 H new ATOM 0 HG1 THR A 78 20.982 12.495 -0.666 1.00 1.00 H new ATOM 0 HG21 THR A 78 22.255 10.444 -0.747 1.00 1.00 H new ATOM 0 HG22 THR A 78 22.864 9.956 -2.347 1.00 1.00 H new ATOM 0 HG23 THR A 78 23.569 11.365 -1.518 1.00 1.00 H new ATOM 563 N VAL A 79 20.754 10.715 -4.958 1.00 1.00 N ATOM 564 CA VAL A 79 20.489 9.681 -5.979 1.00 1.00 C ATOM 565 C VAL A 79 20.853 10.252 -7.353 1.00 1.00 C ATOM 566 O VAL A 79 21.485 9.599 -8.160 1.00 1.00 O ATOM 567 CB VAL A 79 19.008 9.287 -5.916 1.00 1.00 C ATOM 568 CG1 VAL A 79 18.136 10.502 -5.597 1.00 1.00 C ATOM 569 CG2 VAL A 79 18.574 8.716 -7.252 1.00 1.00 C ATOM 0 H VAL A 79 19.933 11.039 -4.446 1.00 1.00 H new ATOM 0 HA VAL A 79 21.089 8.789 -5.799 1.00 1.00 H new ATOM 0 HB VAL A 79 18.888 8.543 -5.129 1.00 1.00 H new ATOM 0 HG11 VAL A 79 17.090 10.199 -5.557 1.00 1.00 H new ATOM 0 HG12 VAL A 79 18.430 10.918 -4.633 1.00 1.00 H new ATOM 0 HG13 VAL A 79 18.266 11.257 -6.373 1.00 1.00 H new ATOM 0 HG21 VAL A 79 17.521 8.437 -7.204 1.00 1.00 H new ATOM 0 HG22 VAL A 79 18.716 9.465 -8.031 1.00 1.00 H new ATOM 0 HG23 VAL A 79 19.173 7.835 -7.483 1.00 1.00 H new ATOM 570 N LEU A 80 20.485 11.476 -7.615 1.00 1.00 N ATOM 571 CA LEU A 80 20.841 12.090 -8.921 1.00 1.00 C ATOM 572 C LEU A 80 22.320 11.814 -9.176 1.00 1.00 C ATOM 573 O LEU A 80 22.775 11.742 -10.300 1.00 1.00 O ATOM 574 CB LEU A 80 20.599 13.600 -8.862 1.00 1.00 C ATOM 575 CG LEU A 80 19.234 13.923 -9.472 1.00 1.00 C ATOM 576 CD1 LEU A 80 19.048 15.439 -9.537 1.00 1.00 C ATOM 577 CD2 LEU A 80 19.155 13.342 -10.886 1.00 1.00 C ATOM 0 H LEU A 80 19.955 12.075 -6.982 1.00 1.00 H new ATOM 0 HA LEU A 80 20.231 11.671 -9.721 1.00 1.00 H new ATOM 0 HB2 LEU A 80 20.638 13.945 -7.829 1.00 1.00 H new ATOM 0 HB3 LEU A 80 21.385 14.126 -9.404 1.00 1.00 H new ATOM 0 HG LEU A 80 18.450 13.486 -8.853 1.00 1.00 H new ATOM 0 HD11 LEU A 80 18.075 15.668 -9.972 1.00 1.00 H new ATOM 0 HD12 LEU A 80 19.103 15.856 -8.531 1.00 1.00 H new ATOM 0 HD13 LEU A 80 19.833 15.876 -10.154 1.00 1.00 H new ATOM 0 HD21 LEU A 80 18.182 13.572 -11.320 1.00 1.00 H new ATOM 0 HD22 LEU A 80 19.940 13.778 -11.503 1.00 1.00 H new ATOM 0 HD23 LEU A 80 19.286 12.261 -10.843 1.00 1.00 H new ATOM 578 N GLN A 81 23.066 11.650 -8.118 1.00 1.00 N ATOM 579 CA GLN A 81 24.520 11.366 -8.242 1.00 1.00 C ATOM 580 C GLN A 81 24.724 9.871 -8.508 1.00 1.00 C ATOM 581 O GLN A 81 25.550 9.477 -9.308 1.00 1.00 O ATOM 582 CB GLN A 81 25.207 11.750 -6.930 1.00 1.00 C ATOM 583 CG GLN A 81 26.320 12.756 -7.213 1.00 1.00 C ATOM 584 CD GLN A 81 27.604 12.310 -6.511 1.00 1.00 C ATOM 585 OE1 GLN A 81 27.572 11.463 -5.641 1.00 1.00 O ATOM 586 NE2 GLN A 81 28.742 12.848 -6.856 1.00 1.00 N ATOM 0 H GLN A 81 22.722 11.702 -7.159 1.00 1.00 H new ATOM 0 HA GLN A 81 24.945 11.939 -9.066 1.00 1.00 H new ATOM 0 HB2 GLN A 81 24.481 12.179 -6.239 1.00 1.00 H new ATOM 0 HB3 GLN A 81 25.618 10.862 -6.449 1.00 1.00 H new ATOM 0 HG2 GLN A 81 26.489 12.834 -8.287 1.00 1.00 H new ATOM 0 HG3 GLN A 81 26.027 13.746 -6.863 1.00 1.00 H new ATOM 0 HE21 GLN A 81 28.769 13.559 -7.587 1.00 1.00 H new ATOM 0 HE22 GLN A 81 29.604 12.557 -6.395 1.00 1.00 H new ATOM 587 N GLN A 82 23.977 9.037 -7.835 1.00 1.00 N ATOM 588 CA GLN A 82 24.119 7.564 -8.032 1.00 1.00 C ATOM 589 C GLN A 82 23.732 7.181 -9.465 1.00 1.00 C ATOM 590 O GLN A 82 23.883 7.955 -10.389 1.00 1.00 O ATOM 591 CB GLN A 82 23.200 6.837 -7.048 1.00 1.00 C ATOM 592 CG GLN A 82 23.442 7.368 -5.634 1.00 1.00 C ATOM 593 CD GLN A 82 24.247 6.343 -4.834 1.00 1.00 C ATOM 594 OE1 GLN A 82 23.708 5.656 -3.988 1.00 1.00 O ATOM 595 NE2 GLN A 82 25.524 6.208 -5.066 1.00 1.00 N ATOM 0 H GLN A 82 23.271 9.314 -7.153 1.00 1.00 H new ATOM 0 HA GLN A 82 25.156 7.278 -7.857 1.00 1.00 H new ATOM 0 HB2 GLN A 82 22.158 6.986 -7.330 1.00 1.00 H new ATOM 0 HB3 GLN A 82 23.389 5.764 -7.082 1.00 1.00 H new ATOM 0 HG2 GLN A 82 23.980 8.315 -5.677 1.00 1.00 H new ATOM 0 HG3 GLN A 82 22.490 7.564 -5.140 1.00 1.00 H new ATOM 0 HE21 GLN A 82 25.977 6.784 -5.776 1.00 1.00 H new ATOM 0 HE22 GLN A 82 26.069 5.527 -4.538 1.00 1.00 H new ATOM 596 N THR A 83 23.237 5.984 -9.654 1.00 1.00 N ATOM 597 CA THR A 83 22.842 5.539 -11.023 1.00 1.00 C ATOM 598 C THR A 83 21.375 5.920 -11.282 1.00 1.00 C ATOM 599 O THR A 83 21.005 7.065 -11.123 1.00 1.00 O ATOM 600 CB THR A 83 23.024 4.022 -11.132 1.00 1.00 C ATOM 601 OG1 THR A 83 24.263 3.653 -10.541 1.00 1.00 O ATOM 602 CG2 THR A 83 23.016 3.610 -12.605 1.00 1.00 C ATOM 0 H THR A 83 23.089 5.295 -8.917 1.00 1.00 H new ATOM 0 HA THR A 83 23.470 6.028 -11.768 1.00 1.00 H new ATOM 0 HB THR A 83 22.208 3.519 -10.613 1.00 1.00 H new ATOM 0 HG1 THR A 83 24.381 2.682 -10.608 1.00 1.00 H new ATOM 0 HG21 THR A 83 23.146 2.530 -12.682 1.00 1.00 H new ATOM 0 HG22 THR A 83 22.066 3.894 -13.057 1.00 1.00 H new ATOM 0 HG23 THR A 83 23.831 4.111 -13.127 1.00 1.00 H new ATOM 603 N TYR A 84 20.541 4.978 -11.682 1.00 1.00 N ATOM 604 CA TYR A 84 19.101 5.298 -11.950 1.00 1.00 C ATOM 605 C TYR A 84 18.618 6.353 -10.958 1.00 1.00 C ATOM 606 O TYR A 84 18.252 6.056 -9.838 1.00 1.00 O ATOM 607 CB TYR A 84 18.263 4.025 -11.812 1.00 1.00 C ATOM 608 CG TYR A 84 18.734 2.986 -12.810 1.00 1.00 C ATOM 609 CD1 TYR A 84 19.634 3.334 -13.830 1.00 1.00 C ATOM 610 CD2 TYR A 84 18.270 1.667 -12.710 1.00 1.00 C ATOM 611 CE1 TYR A 84 20.065 2.365 -14.746 1.00 1.00 C ATOM 612 CE2 TYR A 84 18.701 0.699 -13.626 1.00 1.00 C ATOM 613 CZ TYR A 84 19.598 1.047 -14.643 1.00 1.00 C ATOM 614 OH TYR A 84 20.023 0.093 -15.545 1.00 1.00 O ATOM 0 H TYR A 84 20.800 4.003 -11.833 1.00 1.00 H new ATOM 0 HA TYR A 84 18.995 5.688 -12.962 1.00 1.00 H new ATOM 0 HB2 TYR A 84 18.347 3.632 -10.799 1.00 1.00 H new ATOM 0 HB3 TYR A 84 17.210 4.252 -11.980 1.00 1.00 H new ATOM 0 HD1 TYR A 84 19.994 4.349 -13.909 1.00 1.00 H new ATOM 0 HD2 TYR A 84 17.579 1.397 -11.925 1.00 1.00 H new ATOM 0 HE1 TYR A 84 20.757 2.633 -15.531 1.00 1.00 H new ATOM 0 HE2 TYR A 84 18.341 -0.316 -13.548 1.00 1.00 H new ATOM 0 HH TYR A 84 19.606 -0.768 -15.332 1.00 1.00 H new ATOM 615 N HIS A 85 18.657 7.592 -11.359 1.00 1.00 N ATOM 616 CA HIS A 85 18.248 8.693 -10.446 1.00 1.00 C ATOM 617 C HIS A 85 17.402 9.727 -11.196 1.00 1.00 C ATOM 618 O HIS A 85 16.932 10.680 -10.609 1.00 1.00 O ATOM 619 CB HIS A 85 19.516 9.365 -9.939 1.00 1.00 C ATOM 620 CG HIS A 85 20.252 9.931 -11.122 1.00 1.00 C ATOM 621 ND1 HIS A 85 21.585 9.652 -11.382 1.00 1.00 N ATOM 622 CD2 HIS A 85 19.846 10.771 -12.125 1.00 1.00 C ATOM 623 CE1 HIS A 85 21.924 10.317 -12.504 1.00 1.00 C ATOM 624 NE2 HIS A 85 20.900 11.011 -12.996 1.00 1.00 N ATOM 0 H HIS A 85 18.957 7.891 -12.287 1.00 1.00 H new ATOM 0 HA HIS A 85 17.655 8.292 -9.624 1.00 1.00 H new ATOM 0 HB2 HIS A 85 19.270 10.156 -9.230 1.00 1.00 H new ATOM 0 HB3 HIS A 85 20.142 8.646 -9.410 1.00 1.00 H new ATOM 0 HD1 HIS A 85 22.196 9.054 -10.826 1.00 1.00 H new ATOM 0 HD2 HIS A 85 18.853 11.185 -12.224 1.00 1.00 H new ATOM 0 HE1 HIS A 85 22.907 10.290 -12.950 1.00 1.00 H new ATOM 625 N ALA A 86 17.218 9.548 -12.482 1.00 1.00 N ATOM 626 CA ALA A 86 16.405 10.511 -13.291 1.00 1.00 C ATOM 627 C ALA A 86 17.303 11.606 -13.880 1.00 1.00 C ATOM 628 O ALA A 86 17.021 12.780 -13.755 1.00 1.00 O ATOM 629 CB ALA A 86 15.321 11.154 -12.419 1.00 1.00 C ATOM 0 H ALA A 86 17.602 8.766 -13.012 1.00 1.00 H new ATOM 0 HA ALA A 86 15.933 9.961 -14.105 1.00 1.00 H new ATOM 0 HB1 ALA A 86 14.737 11.852 -13.020 1.00 1.00 H new ATOM 0 HB2 ALA A 86 14.665 10.379 -12.024 1.00 1.00 H new ATOM 0 HB3 ALA A 86 15.789 11.689 -11.593 1.00 1.00 H new ATOM 630 N HIS A 87 18.373 11.232 -14.535 1.00 1.00 N ATOM 631 CA HIS A 87 19.277 12.253 -15.149 1.00 1.00 C ATOM 632 C HIS A 87 20.480 11.560 -15.794 1.00 1.00 C ATOM 633 O HIS A 87 21.575 12.086 -15.802 1.00 1.00 O ATOM 634 CB HIS A 87 19.779 13.235 -14.087 1.00 1.00 C ATOM 635 CG HIS A 87 19.007 14.523 -14.185 1.00 1.00 C ATOM 636 ND1 HIS A 87 17.901 14.878 -14.916 1.00 1.00 N flip ATOM 637 CD2 HIS A 87 19.363 15.654 -13.465 1.00 1.00 C flip ATOM 638 CE1 HIS A 87 17.574 16.206 -14.658 1.00 1.00 C flip ATOM 639 NE2 HIS A 87 18.486 16.626 -13.777 1.00 1.00 N flip ATOM 0 H HIS A 87 18.660 10.263 -14.671 1.00 1.00 H new ATOM 0 HA HIS A 87 18.713 12.800 -15.905 1.00 1.00 H new ATOM 0 HB2 HIS A 87 19.661 12.803 -13.093 1.00 1.00 H new ATOM 0 HB3 HIS A 87 20.843 13.425 -14.227 1.00 1.00 H new ATOM 0 HD2 HIS A 87 20.193 15.739 -12.779 1.00 1.00 H new ATOM 0 HE1 HIS A 87 16.758 16.775 -15.079 1.00 1.00 H new ATOM 0 HE2 HIS A 87 18.514 17.569 -13.388 1.00 1.00 H new ATOM 640 N ARG A 88 20.291 10.389 -16.338 1.00 1.00 N ATOM 641 CA ARG A 88 21.431 9.680 -16.982 1.00 1.00 C ATOM 642 C ARG A 88 21.087 9.395 -18.442 1.00 1.00 C ATOM 643 O ARG A 88 19.984 9.641 -18.888 1.00 1.00 O ATOM 644 CB ARG A 88 21.687 8.358 -16.259 1.00 1.00 C ATOM 645 CG ARG A 88 21.913 8.623 -14.772 1.00 1.00 C ATOM 646 CD ARG A 88 22.034 7.290 -14.036 1.00 1.00 C ATOM 647 NE ARG A 88 23.407 6.743 -14.222 1.00 1.00 N ATOM 648 CZ ARG A 88 23.775 6.291 -15.390 1.00 1.00 C ATOM 649 NH1 ARG A 88 22.925 5.639 -16.135 1.00 1.00 N ATOM 650 NH2 ARG A 88 24.993 6.492 -15.813 1.00 1.00 N ATOM 0 H ARG A 88 19.399 9.894 -16.364 1.00 1.00 H new ATOM 0 HA ARG A 88 22.323 10.304 -16.927 1.00 1.00 H new ATOM 0 HB2 ARG A 88 20.838 7.688 -16.394 1.00 1.00 H new ATOM 0 HB3 ARG A 88 22.558 7.861 -16.687 1.00 1.00 H new ATOM 0 HG2 ARG A 88 22.818 9.214 -14.629 1.00 1.00 H new ATOM 0 HG3 ARG A 88 21.085 9.203 -14.364 1.00 1.00 H new ATOM 0 HD2 ARG A 88 21.827 7.428 -12.975 1.00 1.00 H new ATOM 0 HD3 ARG A 88 21.295 6.584 -14.416 1.00 1.00 H new ATOM 0 HE ARG A 88 24.059 6.722 -13.438 1.00 1.00 H new ATOM 0 HH11 ARG A 88 21.973 5.482 -15.805 1.00 1.00 H new ATOM 0 HH12 ARG A 88 23.213 5.286 -17.048 1.00 1.00 H new ATOM 0 HH21 ARG A 88 25.657 7.002 -15.231 1.00 1.00 H new ATOM 0 HH22 ARG A 88 25.281 6.139 -16.726 1.00 1.00 H new ATOM 651 N SER A 89 22.017 8.871 -19.191 1.00 1.00 N ATOM 652 CA SER A 89 21.727 8.567 -20.617 1.00 1.00 C ATOM 653 C SER A 89 20.962 7.247 -20.705 1.00 1.00 C ATOM 654 O SER A 89 20.662 6.761 -21.778 1.00 1.00 O ATOM 655 CB SER A 89 23.037 8.456 -21.398 1.00 1.00 C ATOM 656 OG SER A 89 22.817 7.694 -22.578 1.00 1.00 O ATOM 0 H SER A 89 22.960 8.642 -18.878 1.00 1.00 H new ATOM 0 HA SER A 89 21.124 9.368 -21.045 1.00 1.00 H new ATOM 0 HB2 SER A 89 23.405 9.449 -21.656 1.00 1.00 H new ATOM 0 HB3 SER A 89 23.802 7.982 -20.783 1.00 1.00 H new ATOM 0 HG SER A 89 21.855 7.643 -22.760 1.00 1.00 H new ATOM 657 N ASP A 90 20.638 6.665 -19.583 1.00 1.00 N ATOM 658 CA ASP A 90 19.886 5.381 -19.601 1.00 1.00 C ATOM 659 C ASP A 90 18.842 5.393 -18.485 1.00 1.00 C ATOM 660 O ASP A 90 18.198 4.398 -18.214 1.00 1.00 O ATOM 661 CB ASP A 90 20.847 4.214 -19.377 1.00 1.00 C ATOM 662 CG ASP A 90 22.224 4.561 -19.947 1.00 1.00 C ATOM 663 OD1 ASP A 90 22.301 4.830 -21.134 1.00 1.00 O ATOM 664 OD2 ASP A 90 23.178 4.551 -19.186 1.00 1.00 O ATOM 0 H ASP A 90 20.862 7.024 -18.655 1.00 1.00 H new ATOM 0 HA ASP A 90 19.396 5.265 -20.567 1.00 1.00 H new ATOM 0 HB2 ASP A 90 20.928 3.997 -18.312 1.00 1.00 H new ATOM 0 HB3 ASP A 90 20.460 3.315 -19.857 1.00 1.00 H new ATOM 665 N ALA A 91 18.663 6.511 -17.837 1.00 1.00 N ATOM 666 CA ALA A 91 17.655 6.579 -16.744 1.00 1.00 C ATOM 667 C ALA A 91 16.283 6.874 -17.348 1.00 1.00 C ATOM 668 O ALA A 91 15.273 6.832 -16.674 1.00 1.00 O ATOM 669 CB ALA A 91 18.035 7.693 -15.767 1.00 1.00 C ATOM 0 H ALA A 91 19.170 7.378 -18.017 1.00 1.00 H new ATOM 0 HA ALA A 91 17.625 5.629 -16.211 1.00 1.00 H new ATOM 0 HB1 ALA A 91 17.297 7.743 -14.967 1.00 1.00 H new ATOM 0 HB2 ALA A 91 19.017 7.485 -15.342 1.00 1.00 H new ATOM 0 HB3 ALA A 91 18.062 8.646 -16.295 1.00 1.00 H new ATOM 670 N LEU A 92 16.240 7.174 -18.617 1.00 1.00 N ATOM 671 CA LEU A 92 14.935 7.473 -19.263 1.00 1.00 C ATOM 672 C LEU A 92 14.264 6.179 -19.729 1.00 1.00 C ATOM 673 O LEU A 92 13.067 6.134 -19.936 1.00 1.00 O ATOM 674 CB LEU A 92 15.099 8.442 -20.439 1.00 1.00 C ATOM 675 CG LEU A 92 16.366 8.174 -21.259 1.00 1.00 C ATOM 676 CD1 LEU A 92 17.588 8.780 -20.562 1.00 1.00 C ATOM 677 CD2 LEU A 92 16.576 6.671 -21.476 1.00 1.00 C ATOM 0 H LEU A 92 17.052 7.224 -19.232 1.00 1.00 H new ATOM 0 HA LEU A 92 14.299 7.956 -18.521 1.00 1.00 H new ATOM 0 HB2 LEU A 92 14.228 8.366 -21.090 1.00 1.00 H new ATOM 0 HB3 LEU A 92 15.126 9.464 -20.060 1.00 1.00 H new ATOM 0 HG LEU A 92 16.242 8.645 -22.234 1.00 1.00 H new ATOM 0 HD11 LEU A 92 18.481 8.582 -21.155 1.00 1.00 H new ATOM 0 HD12 LEU A 92 17.452 9.857 -20.460 1.00 1.00 H new ATOM 0 HD13 LEU A 92 17.702 8.333 -19.574 1.00 1.00 H new ATOM 0 HD21 LEU A 92 17.482 6.511 -22.061 1.00 1.00 H new ATOM 0 HD22 LEU A 92 16.674 6.174 -20.511 1.00 1.00 H new ATOM 0 HD23 LEU A 92 15.721 6.258 -22.011 1.00 1.00 H new ATOM 678 N GLN A 93 15.012 5.121 -19.874 1.00 1.00 N ATOM 679 CA GLN A 93 14.399 3.834 -20.300 1.00 1.00 C ATOM 680 C GLN A 93 13.888 3.110 -19.056 1.00 1.00 C ATOM 681 O GLN A 93 13.492 1.962 -19.106 1.00 1.00 O ATOM 682 CB GLN A 93 15.449 2.971 -21.003 1.00 1.00 C ATOM 683 CG GLN A 93 14.974 2.641 -22.420 1.00 1.00 C ATOM 684 CD GLN A 93 14.542 1.175 -22.485 1.00 1.00 C ATOM 685 OE1 GLN A 93 14.814 0.474 -23.553 1.00 1.00 O flip ATOM 686 NE2 GLN A 93 13.952 0.661 -21.556 1.00 1.00 N flip ATOM 0 H GLN A 93 16.019 5.093 -19.716 1.00 1.00 H new ATOM 0 HA GLN A 93 13.577 4.020 -20.991 1.00 1.00 H new ATOM 0 HB2 GLN A 93 16.402 3.498 -21.041 1.00 1.00 H new ATOM 0 HB3 GLN A 93 15.616 2.052 -20.441 1.00 1.00 H new ATOM 0 HG2 GLN A 93 14.142 3.289 -22.696 1.00 1.00 H new ATOM 0 HG3 GLN A 93 15.774 2.827 -23.136 1.00 1.00 H new ATOM 0 HE21 GLN A 93 13.739 1.208 -20.722 1.00 1.00 H new ATOM 0 HE22 GLN A 93 13.669 -0.318 -21.610 1.00 1.00 H new ATOM 687 N LEU A 94 13.906 3.779 -17.935 1.00 1.00 N ATOM 688 CA LEU A 94 13.438 3.150 -16.674 1.00 1.00 C ATOM 689 C LEU A 94 12.145 3.826 -16.222 1.00 1.00 C ATOM 690 O LEU A 94 11.379 3.276 -15.455 1.00 1.00 O ATOM 691 CB LEU A 94 14.507 3.331 -15.601 1.00 1.00 C ATOM 692 CG LEU A 94 15.866 2.816 -16.100 1.00 1.00 C ATOM 693 CD1 LEU A 94 16.674 2.358 -14.901 1.00 1.00 C ATOM 694 CD2 LEU A 94 15.695 1.626 -17.055 1.00 1.00 C ATOM 0 H LEU A 94 14.228 4.742 -17.842 1.00 1.00 H new ATOM 0 HA LEU A 94 13.255 2.088 -16.836 1.00 1.00 H new ATOM 0 HB2 LEU A 94 14.587 4.385 -15.334 1.00 1.00 H new ATOM 0 HB3 LEU A 94 14.218 2.794 -14.698 1.00 1.00 H new ATOM 0 HG LEU A 94 16.369 3.621 -16.636 1.00 1.00 H new ATOM 0 HD11 LEU A 94 17.643 1.988 -15.235 1.00 1.00 H new ATOM 0 HD12 LEU A 94 16.820 3.196 -14.219 1.00 1.00 H new ATOM 0 HD13 LEU A 94 16.140 1.560 -14.385 1.00 1.00 H new ATOM 0 HD21 LEU A 94 16.674 1.285 -17.390 1.00 1.00 H new ATOM 0 HD22 LEU A 94 15.186 0.814 -16.537 1.00 1.00 H new ATOM 0 HD23 LEU A 94 15.103 1.934 -17.917 1.00 1.00 H new ATOM 695 N GLY A 95 11.897 5.020 -16.690 1.00 1.00 N ATOM 696 CA GLY A 95 10.654 5.734 -16.285 1.00 1.00 C ATOM 697 C GLY A 95 10.885 6.450 -14.953 1.00 1.00 C ATOM 698 O GLY A 95 10.034 6.458 -14.086 1.00 1.00 O ATOM 0 H GLY A 95 12.501 5.530 -17.334 1.00 1.00 H new ATOM 0 HA2 GLY A 95 10.370 6.454 -17.052 1.00 1.00 H new ATOM 0 HA3 GLY A 95 9.830 5.026 -16.191 1.00 1.00 H new ATOM 699 N LEU A 96 12.030 7.055 -14.782 1.00 1.00 N ATOM 700 CA LEU A 96 12.309 7.773 -13.505 1.00 1.00 C ATOM 701 C LEU A 96 11.953 9.251 -13.671 1.00 1.00 C ATOM 702 O LEU A 96 11.166 9.618 -14.521 1.00 1.00 O ATOM 703 CB LEU A 96 13.795 7.643 -13.153 1.00 1.00 C ATOM 704 CG LEU A 96 14.244 6.191 -13.333 1.00 1.00 C ATOM 705 CD1 LEU A 96 15.695 6.161 -13.818 1.00 1.00 C ATOM 706 CD2 LEU A 96 14.150 5.456 -11.995 1.00 1.00 C ATOM 0 H LEU A 96 12.783 7.083 -15.470 1.00 1.00 H new ATOM 0 HA LEU A 96 11.711 7.337 -12.705 1.00 1.00 H new ATOM 0 HB2 LEU A 96 14.388 8.299 -13.791 1.00 1.00 H new ATOM 0 HB3 LEU A 96 13.964 7.961 -12.124 1.00 1.00 H new ATOM 0 HG LEU A 96 13.600 5.704 -14.066 1.00 1.00 H new ATOM 0 HD11 LEU A 96 16.015 5.127 -13.946 1.00 1.00 H new ATOM 0 HD12 LEU A 96 15.771 6.685 -14.771 1.00 1.00 H new ATOM 0 HD13 LEU A 96 16.334 6.650 -13.083 1.00 1.00 H new ATOM 0 HD21 LEU A 96 14.470 4.422 -12.125 1.00 1.00 H new ATOM 0 HD22 LEU A 96 14.794 5.946 -11.265 1.00 1.00 H new ATOM 0 HD23 LEU A 96 13.119 5.475 -11.641 1.00 1.00 H new ATOM 707 N GLY A 97 12.524 10.105 -12.867 1.00 1.00 N ATOM 708 CA GLY A 97 12.212 11.558 -12.984 1.00 1.00 C ATOM 709 C GLY A 97 12.410 12.235 -11.627 1.00 1.00 C ATOM 710 O GLY A 97 13.403 12.030 -10.958 1.00 1.00 O ATOM 0 H GLY A 97 13.192 9.861 -12.136 1.00 1.00 H new ATOM 0 HA2 GLY A 97 12.858 12.020 -13.730 1.00 1.00 H new ATOM 0 HA3 GLY A 97 11.185 11.694 -13.323 1.00 1.00 H new ATOM 711 N LYS A 98 11.472 13.040 -11.214 1.00 1.00 N ATOM 712 CA LYS A 98 11.607 13.729 -9.901 1.00 1.00 C ATOM 713 C LYS A 98 10.474 13.285 -8.975 1.00 1.00 C ATOM 714 O LYS A 98 9.614 14.063 -8.613 1.00 1.00 O ATOM 715 CB LYS A 98 11.533 15.243 -10.110 1.00 1.00 C ATOM 716 CG LYS A 98 12.718 15.701 -10.962 1.00 1.00 C ATOM 717 CD LYS A 98 12.242 15.993 -12.386 1.00 1.00 C ATOM 718 CE LYS A 98 12.264 17.503 -12.631 1.00 1.00 C ATOM 719 NZ LYS A 98 11.751 17.792 -14.000 1.00 1.00 N ATOM 0 H LYS A 98 10.617 13.251 -11.729 1.00 1.00 H new ATOM 0 HA LYS A 98 12.566 13.471 -9.451 1.00 1.00 H new ATOM 0 HB2 LYS A 98 10.596 15.507 -10.600 1.00 1.00 H new ATOM 0 HB3 LYS A 98 11.545 15.754 -9.147 1.00 1.00 H new ATOM 0 HG2 LYS A 98 13.168 16.594 -10.528 1.00 1.00 H new ATOM 0 HG3 LYS A 98 13.489 14.930 -10.976 1.00 1.00 H new ATOM 0 HD2 LYS A 98 12.885 15.487 -13.107 1.00 1.00 H new ATOM 0 HD3 LYS A 98 11.234 15.605 -12.531 1.00 1.00 H new ATOM 0 HE2 LYS A 98 11.652 18.012 -11.887 1.00 1.00 H new ATOM 0 HE3 LYS A 98 13.279 17.885 -12.523 1.00 1.00 H new ATOM 0 HZ1 LYS A 98 11.766 18.818 -14.167 1.00 1.00 H new ATOM 0 HZ2 LYS A 98 12.353 17.318 -14.703 1.00 1.00 H new ATOM 0 HZ3 LYS A 98 10.776 17.441 -14.086 1.00 1.00 H new ATOM 720 N HIS A 99 10.463 12.038 -8.589 1.00 1.00 N ATOM 721 CA HIS A 99 9.382 11.548 -7.687 1.00 1.00 C ATOM 722 C HIS A 99 9.934 10.474 -6.751 1.00 1.00 C ATOM 723 O HIS A 99 11.043 10.001 -6.912 1.00 1.00 O ATOM 724 CB HIS A 99 8.250 10.937 -8.517 1.00 1.00 C ATOM 725 CG HIS A 99 8.823 10.311 -9.755 1.00 1.00 C ATOM 726 ND1 HIS A 99 9.039 8.947 -9.865 1.00 1.00 N ATOM 727 CD2 HIS A 99 9.229 10.853 -10.943 1.00 1.00 C ATOM 728 CE1 HIS A 99 9.551 8.714 -11.086 1.00 1.00 C ATOM 729 NE2 HIS A 99 9.689 9.845 -11.787 1.00 1.00 N ATOM 0 H HIS A 99 11.155 11.338 -8.859 1.00 1.00 H new ATOM 0 HA HIS A 99 9.005 12.389 -7.106 1.00 1.00 H new ATOM 0 HB2 HIS A 99 7.717 10.188 -7.931 1.00 1.00 H new ATOM 0 HB3 HIS A 99 7.526 11.706 -8.786 1.00 1.00 H new ATOM 0 HD1 HIS A 99 8.845 8.247 -9.149 1.00 1.00 H new ATOM 0 HD2 HIS A 99 9.198 11.904 -11.190 1.00 1.00 H new ATOM 0 HE1 HIS A 99 9.818 7.735 -11.455 1.00 1.00 H new ATOM 730 N ASN A 100 9.156 10.070 -5.786 1.00 1.00 N ATOM 731 CA ASN A 100 9.612 9.008 -4.849 1.00 1.00 C ATOM 732 C ASN A 100 8.904 7.703 -5.218 1.00 1.00 C ATOM 733 O ASN A 100 8.852 6.766 -4.446 1.00 1.00 O ATOM 734 CB ASN A 100 9.253 9.399 -3.413 1.00 1.00 C ATOM 735 CG ASN A 100 7.732 9.474 -3.270 1.00 1.00 C ATOM 736 OD1 ASN A 100 7.128 10.477 -3.595 1.00 1.00 O ATOM 737 ND2 ASN A 100 7.082 8.448 -2.792 1.00 1.00 N ATOM 0 H ASN A 100 8.220 10.432 -5.606 1.00 1.00 H new ATOM 0 HA ASN A 100 10.692 8.883 -4.921 1.00 1.00 H new ATOM 0 HB2 ASN A 100 9.659 8.668 -2.713 1.00 1.00 H new ATOM 0 HB3 ASN A 100 9.700 10.361 -3.164 1.00 1.00 H new ATOM 0 HD21 ASN A 100 6.068 8.489 -2.692 1.00 1.00 H new ATOM 0 HD22 ASN A 100 7.588 7.606 -2.519 1.00 1.00 H new ATOM 738 N TYR A 101 8.351 7.646 -6.401 1.00 1.00 N ATOM 739 CA TYR A 101 7.633 6.420 -6.845 1.00 1.00 C ATOM 740 C TYR A 101 8.628 5.271 -7.014 1.00 1.00 C ATOM 741 O TYR A 101 9.564 5.356 -7.784 1.00 1.00 O ATOM 742 CB TYR A 101 6.948 6.703 -8.184 1.00 1.00 C ATOM 743 CG TYR A 101 5.451 6.716 -7.995 1.00 1.00 C ATOM 744 CD1 TYR A 101 4.895 7.335 -6.867 1.00 1.00 C ATOM 745 CD2 TYR A 101 4.618 6.117 -8.949 1.00 1.00 C ATOM 746 CE1 TYR A 101 3.505 7.354 -6.693 1.00 1.00 C ATOM 747 CE2 TYR A 101 3.228 6.138 -8.775 1.00 1.00 C ATOM 748 CZ TYR A 101 2.672 6.756 -7.647 1.00 1.00 C ATOM 749 OH TYR A 101 1.303 6.776 -7.476 1.00 1.00 O ATOM 0 H TYR A 101 8.368 8.404 -7.083 1.00 1.00 H new ATOM 0 HA TYR A 101 6.889 6.141 -6.099 1.00 1.00 H new ATOM 0 HB2 TYR A 101 7.283 7.662 -8.580 1.00 1.00 H new ATOM 0 HB3 TYR A 101 7.226 5.943 -8.914 1.00 1.00 H new ATOM 0 HD1 TYR A 101 5.538 7.797 -6.132 1.00 1.00 H new ATOM 0 HD2 TYR A 101 5.047 5.640 -9.818 1.00 1.00 H new ATOM 0 HE1 TYR A 101 3.076 7.830 -5.823 1.00 1.00 H new ATOM 0 HE2 TYR A 101 2.585 5.678 -9.510 1.00 1.00 H new ATOM 0 HH TYR A 101 0.873 6.319 -8.228 1.00 1.00 H new ATOM 750 N CYS A 102 8.431 4.193 -6.305 1.00 1.00 N ATOM 751 CA CYS A 102 9.363 3.040 -6.433 1.00 1.00 C ATOM 752 C CYS A 102 9.226 2.438 -7.833 1.00 1.00 C ATOM 753 O CYS A 102 8.139 2.306 -8.359 1.00 1.00 O ATOM 754 CB CYS A 102 9.017 1.982 -5.383 1.00 1.00 C ATOM 755 SG CYS A 102 10.541 1.353 -4.636 1.00 1.00 S ATOM 0 H CYS A 102 7.665 4.062 -5.644 1.00 1.00 H new ATOM 0 HA CYS A 102 10.388 3.377 -6.278 1.00 1.00 H new ATOM 0 HB2 CYS A 102 8.374 2.413 -4.615 1.00 1.00 H new ATOM 0 HB3 CYS A 102 8.461 1.165 -5.843 1.00 1.00 H new ATOM 756 N ARG A 103 10.320 2.079 -8.443 1.00 1.00 N ATOM 757 CA ARG A 103 10.252 1.495 -9.812 1.00 1.00 C ATOM 758 C ARG A 103 11.094 0.218 -9.863 1.00 1.00 C ATOM 759 O ARG A 103 11.778 -0.123 -8.918 1.00 1.00 O ATOM 760 CB ARG A 103 10.798 2.511 -10.819 1.00 1.00 C ATOM 761 CG ARG A 103 9.817 2.661 -11.982 1.00 1.00 C ATOM 762 CD ARG A 103 8.801 3.757 -11.655 1.00 1.00 C ATOM 763 NE ARG A 103 7.646 3.659 -12.592 1.00 1.00 N ATOM 764 CZ ARG A 103 7.828 3.833 -13.872 1.00 1.00 C ATOM 765 NH1 ARG A 103 8.253 2.845 -14.611 1.00 1.00 N ATOM 766 NH2 ARG A 103 7.587 4.995 -14.414 1.00 1.00 N ATOM 0 H ARG A 103 11.259 2.164 -8.053 1.00 1.00 H new ATOM 0 HA ARG A 103 9.218 1.255 -10.059 1.00 1.00 H new ATOM 0 HB2 ARG A 103 10.950 3.474 -10.332 1.00 1.00 H new ATOM 0 HB3 ARG A 103 11.770 2.184 -11.190 1.00 1.00 H new ATOM 0 HG2 ARG A 103 10.356 2.911 -12.896 1.00 1.00 H new ATOM 0 HG3 ARG A 103 9.304 1.717 -12.163 1.00 1.00 H new ATOM 0 HD2 ARG A 103 8.458 3.654 -10.626 1.00 1.00 H new ATOM 0 HD3 ARG A 103 9.269 4.738 -11.739 1.00 1.00 H new ATOM 0 HE ARG A 103 6.713 3.456 -12.232 1.00 1.00 H new ATOM 0 HH11 ARG A 103 8.443 1.937 -14.188 1.00 1.00 H new ATOM 0 HH12 ARG A 103 8.395 2.981 -15.612 1.00 1.00 H new ATOM 0 HH21 ARG A 103 7.256 5.768 -13.837 1.00 1.00 H new ATOM 0 HH22 ARG A 103 7.730 5.130 -15.415 1.00 1.00 H new ATOM 767 N ASN A 104 11.055 -0.491 -10.960 1.00 1.00 N ATOM 768 CA ASN A 104 11.860 -1.742 -11.063 1.00 1.00 C ATOM 769 C ASN A 104 12.504 -1.842 -12.452 1.00 1.00 C ATOM 770 O ASN A 104 12.237 -2.774 -13.184 1.00 1.00 O ATOM 771 CB ASN A 104 10.940 -2.944 -10.850 1.00 1.00 C ATOM 772 CG ASN A 104 11.778 -4.217 -10.745 1.00 1.00 C ATOM 773 OD1 ASN A 104 12.987 -4.175 -10.856 1.00 1.00 O ATOM 774 ND2 ASN A 104 11.180 -5.356 -10.534 1.00 1.00 N ATOM 0 H ASN A 104 10.503 -0.259 -11.786 1.00 1.00 H new ATOM 0 HA ASN A 104 12.644 -1.728 -10.306 1.00 1.00 H new ATOM 0 HB2 ASN A 104 10.351 -2.808 -9.943 1.00 1.00 H new ATOM 0 HB3 ASN A 104 10.236 -3.027 -11.678 1.00 1.00 H new ATOM 0 HD21 ASN A 104 11.727 -6.214 -10.462 1.00 1.00 H new ATOM 0 HD22 ASN A 104 10.165 -5.389 -10.441 1.00 1.00 H new ATOM 775 N PRO A 105 13.333 -0.880 -12.780 1.00 1.00 N ATOM 776 CA PRO A 105 14.010 -0.853 -14.071 1.00 1.00 C ATOM 777 C PRO A 105 14.895 -2.094 -14.236 1.00 1.00 C ATOM 778 O PRO A 105 15.106 -2.579 -15.330 1.00 1.00 O ATOM 779 CB PRO A 105 14.882 0.399 -14.025 1.00 1.00 C ATOM 780 CG PRO A 105 14.228 1.267 -12.907 1.00 1.00 C ATOM 781 CD PRO A 105 13.645 0.251 -11.893 1.00 1.00 C ATOM 0 HA PRO A 105 13.306 -0.845 -14.903 1.00 1.00 H new ATOM 0 HB2 PRO A 105 15.918 0.156 -13.788 1.00 1.00 H new ATOM 0 HB3 PRO A 105 14.887 0.918 -14.983 1.00 1.00 H new ATOM 0 HG2 PRO A 105 14.963 1.918 -12.434 1.00 1.00 H new ATOM 0 HG3 PRO A 105 13.447 1.910 -13.314 1.00 1.00 H new ATOM 0 HD2 PRO A 105 14.363 -0.018 -11.119 1.00 1.00 H new ATOM 0 HD3 PRO A 105 12.759 0.635 -11.387 1.00 1.00 H new ATOM 782 N ASP A 106 15.422 -2.600 -13.155 1.00 1.00 N ATOM 783 CA ASP A 106 16.302 -3.795 -13.237 1.00 1.00 C ATOM 784 C ASP A 106 15.474 -5.053 -12.973 1.00 1.00 C ATOM 785 O ASP A 106 15.194 -5.394 -11.842 1.00 1.00 O ATOM 786 CB ASP A 106 17.425 -3.668 -12.199 1.00 1.00 C ATOM 787 CG ASP A 106 18.043 -5.041 -11.919 1.00 1.00 C ATOM 788 OD1 ASP A 106 17.413 -5.821 -11.224 1.00 1.00 O ATOM 789 OD2 ASP A 106 19.134 -5.289 -12.405 1.00 1.00 O ATOM 0 H ASP A 106 15.279 -2.233 -12.214 1.00 1.00 H new ATOM 0 HA ASP A 106 16.744 -3.865 -14.231 1.00 1.00 H new ATOM 0 HB2 ASP A 106 18.191 -2.983 -12.563 1.00 1.00 H new ATOM 0 HB3 ASP A 106 17.031 -3.243 -11.276 1.00 1.00 H new ATOM 790 N ASN A 107 15.088 -5.721 -14.030 1.00 1.00 N ATOM 791 CA ASN A 107 14.267 -6.973 -13.933 1.00 1.00 C ATOM 792 C ASN A 107 14.401 -7.620 -12.554 1.00 1.00 C ATOM 793 O ASN A 107 15.221 -8.490 -12.337 1.00 1.00 O ATOM 794 CB ASN A 107 14.741 -7.964 -14.998 1.00 1.00 C ATOM 795 CG ASN A 107 13.559 -8.377 -15.875 1.00 1.00 C ATOM 796 OD1 ASN A 107 12.423 -8.337 -15.444 1.00 1.00 O ATOM 797 ND2 ASN A 107 13.778 -8.776 -17.099 1.00 1.00 N ATOM 0 H ASN A 107 15.313 -5.444 -14.986 1.00 1.00 H new ATOM 0 HA ASN A 107 13.221 -6.711 -14.089 1.00 1.00 H new ATOM 0 HB2 ASN A 107 15.520 -7.510 -15.610 1.00 1.00 H new ATOM 0 HB3 ASN A 107 15.179 -8.842 -14.523 1.00 1.00 H new ATOM 0 HD21 ASN A 107 12.996 -9.054 -17.692 1.00 1.00 H new ATOM 0 HD22 ASN A 107 14.731 -8.810 -17.462 1.00 1.00 H new ATOM 798 N ARG A 108 13.593 -7.198 -11.624 1.00 1.00 N ATOM 799 CA ARG A 108 13.654 -7.779 -10.253 1.00 1.00 C ATOM 800 C ARG A 108 12.279 -8.346 -9.889 1.00 1.00 C ATOM 801 O ARG A 108 11.483 -8.666 -10.749 1.00 1.00 O ATOM 802 CB ARG A 108 14.032 -6.682 -9.256 1.00 1.00 C ATOM 803 CG ARG A 108 15.298 -7.090 -8.502 1.00 1.00 C ATOM 804 CD ARG A 108 16.209 -5.872 -8.350 1.00 1.00 C ATOM 805 NE ARG A 108 16.371 -5.549 -6.905 1.00 1.00 N ATOM 806 CZ ARG A 108 17.491 -5.037 -6.473 1.00 1.00 C ATOM 807 NH1 ARG A 108 18.096 -4.112 -7.166 1.00 1.00 N ATOM 808 NH2 ARG A 108 18.007 -5.451 -5.348 1.00 1.00 N ATOM 0 H ARG A 108 12.889 -6.472 -11.754 1.00 1.00 H new ATOM 0 HA ARG A 108 14.400 -8.573 -10.220 1.00 1.00 H new ATOM 0 HB2 ARG A 108 14.196 -5.741 -9.780 1.00 1.00 H new ATOM 0 HB3 ARG A 108 13.215 -6.517 -8.553 1.00 1.00 H new ATOM 0 HG2 ARG A 108 15.039 -7.489 -7.522 1.00 1.00 H new ATOM 0 HG3 ARG A 108 15.817 -7.882 -9.042 1.00 1.00 H new ATOM 0 HD2 ARG A 108 17.181 -6.074 -8.800 1.00 1.00 H new ATOM 0 HD3 ARG A 108 15.784 -5.019 -8.879 1.00 1.00 H new ATOM 0 HE ARG A 108 15.607 -5.728 -6.253 1.00 1.00 H new ATOM 0 HH11 ARG A 108 17.694 -3.789 -8.046 1.00 1.00 H new ATOM 0 HH12 ARG A 108 18.971 -3.712 -6.828 1.00 1.00 H new ATOM 0 HH21 ARG A 108 17.535 -6.175 -4.806 1.00 1.00 H new ATOM 0 HH22 ARG A 108 18.882 -5.051 -5.011 1.00 1.00 H new ATOM 809 N ARG A 109 11.987 -8.463 -8.623 1.00 1.00 N ATOM 810 CA ARG A 109 10.658 -8.996 -8.214 1.00 1.00 C ATOM 811 C ARG A 109 9.765 -7.829 -7.785 1.00 1.00 C ATOM 812 O ARG A 109 8.647 -7.689 -8.239 1.00 1.00 O ATOM 813 CB ARG A 109 10.830 -9.967 -7.044 1.00 1.00 C ATOM 814 CG ARG A 109 10.507 -11.387 -7.511 1.00 1.00 C ATOM 815 CD ARG A 109 10.603 -12.349 -6.325 1.00 1.00 C ATOM 816 NE ARG A 109 11.380 -13.555 -6.726 1.00 1.00 N ATOM 817 CZ ARG A 109 12.646 -13.646 -6.423 1.00 1.00 C ATOM 818 NH1 ARG A 109 13.032 -13.506 -5.185 1.00 1.00 N ATOM 819 NH2 ARG A 109 13.526 -13.877 -7.359 1.00 1.00 N ATOM 0 H ARG A 109 12.610 -8.213 -7.855 1.00 1.00 H new ATOM 0 HA ARG A 109 10.200 -9.524 -9.051 1.00 1.00 H new ATOM 0 HB2 ARG A 109 11.851 -9.920 -6.665 1.00 1.00 H new ATOM 0 HB3 ARG A 109 10.172 -9.684 -6.222 1.00 1.00 H new ATOM 0 HG2 ARG A 109 9.506 -11.421 -7.940 1.00 1.00 H new ATOM 0 HG3 ARG A 109 11.201 -11.690 -8.295 1.00 1.00 H new ATOM 0 HD2 ARG A 109 11.086 -11.856 -5.481 1.00 1.00 H new ATOM 0 HD3 ARG A 109 9.605 -12.639 -5.996 1.00 1.00 H new ATOM 0 HE ARG A 109 10.922 -14.310 -7.237 1.00 1.00 H new ATOM 0 HH11 ARG A 109 12.344 -13.325 -4.454 1.00 1.00 H new ATOM 0 HH12 ARG A 109 14.022 -13.577 -4.948 1.00 1.00 H new ATOM 0 HH21 ARG A 109 13.224 -13.986 -8.327 1.00 1.00 H new ATOM 0 HH22 ARG A 109 14.516 -13.948 -7.122 1.00 1.00 H new ATOM 820 N ARG A 110 10.257 -6.986 -6.919 1.00 1.00 N ATOM 821 CA ARG A 110 9.447 -5.821 -6.465 1.00 1.00 C ATOM 822 C ARG A 110 10.179 -4.528 -6.839 1.00 1.00 C ATOM 823 O ARG A 110 11.378 -4.536 -7.040 1.00 1.00 O ATOM 824 CB ARG A 110 9.261 -5.888 -4.947 1.00 1.00 C ATOM 825 CG ARG A 110 9.038 -7.341 -4.524 1.00 1.00 C ATOM 826 CD ARG A 110 10.295 -7.870 -3.832 1.00 1.00 C ATOM 827 NE ARG A 110 9.908 -8.865 -2.793 1.00 1.00 N ATOM 828 CZ ARG A 110 10.016 -10.142 -3.040 1.00 1.00 C ATOM 829 NH1 ARG A 110 9.328 -10.679 -4.010 1.00 1.00 N ATOM 830 NH2 ARG A 110 10.813 -10.881 -2.318 1.00 1.00 N ATOM 0 H ARG A 110 11.187 -7.054 -6.506 1.00 1.00 H new ATOM 0 HA ARG A 110 8.469 -5.841 -6.946 1.00 1.00 H new ATOM 0 HB2 ARG A 110 10.139 -5.482 -4.444 1.00 1.00 H new ATOM 0 HB3 ARG A 110 8.410 -5.276 -4.647 1.00 1.00 H new ATOM 0 HG2 ARG A 110 8.184 -7.408 -3.850 1.00 1.00 H new ATOM 0 HG3 ARG A 110 8.805 -7.953 -5.395 1.00 1.00 H new ATOM 0 HD2 ARG A 110 10.959 -8.331 -4.563 1.00 1.00 H new ATOM 0 HD3 ARG A 110 10.846 -7.047 -3.376 1.00 1.00 H new ATOM 0 HE ARG A 110 9.559 -8.548 -1.889 1.00 1.00 H new ATOM 0 HH11 ARG A 110 8.706 -10.101 -4.575 1.00 1.00 H new ATOM 0 HH12 ARG A 110 9.412 -11.677 -4.203 1.00 1.00 H new ATOM 0 HH21 ARG A 110 11.352 -10.461 -1.561 1.00 1.00 H new ATOM 0 HH22 ARG A 110 10.897 -11.879 -2.511 1.00 1.00 H new ATOM 831 N PRO A 111 9.436 -3.454 -6.927 1.00 1.00 N ATOM 832 CA PRO A 111 9.996 -2.158 -7.281 1.00 1.00 C ATOM 833 C PRO A 111 10.871 -1.621 -6.146 1.00 1.00 C ATOM 834 O PRO A 111 10.433 -1.476 -5.023 1.00 1.00 O ATOM 835 CB PRO A 111 8.781 -1.263 -7.502 1.00 1.00 C ATOM 836 CG PRO A 111 7.666 -1.944 -6.649 1.00 1.00 C ATOM 837 CD PRO A 111 7.986 -3.466 -6.679 1.00 1.00 C ATOM 0 HA PRO A 111 10.636 -2.208 -8.162 1.00 1.00 H new ATOM 0 HB2 PRO A 111 8.970 -0.241 -7.173 1.00 1.00 H new ATOM 0 HB3 PRO A 111 8.506 -1.213 -8.556 1.00 1.00 H new ATOM 0 HG2 PRO A 111 7.667 -1.564 -5.628 1.00 1.00 H new ATOM 0 HG3 PRO A 111 6.678 -1.743 -7.063 1.00 1.00 H new ATOM 0 HD2 PRO A 111 7.734 -3.957 -5.739 1.00 1.00 H new ATOM 0 HD3 PRO A 111 7.439 -3.985 -7.466 1.00 1.00 H new ATOM 838 N TRP A 112 12.108 -1.326 -6.440 1.00 1.00 N ATOM 839 CA TRP A 112 13.030 -0.797 -5.396 1.00 1.00 C ATOM 840 C TRP A 112 13.272 0.693 -5.645 1.00 1.00 C ATOM 841 O TRP A 112 13.050 1.192 -6.730 1.00 1.00 O ATOM 842 CB TRP A 112 14.358 -1.543 -5.482 1.00 1.00 C ATOM 843 CG TRP A 112 14.837 -1.517 -6.896 1.00 1.00 C ATOM 844 CD1 TRP A 112 14.756 -2.551 -7.763 1.00 1.00 C ATOM 845 CD2 TRP A 112 15.456 -0.418 -7.624 1.00 1.00 C ATOM 846 NE1 TRP A 112 15.295 -2.159 -8.977 1.00 1.00 N ATOM 847 CE2 TRP A 112 15.740 -0.852 -8.940 1.00 1.00 C ATOM 848 CE3 TRP A 112 15.798 0.901 -7.269 1.00 1.00 C ATOM 849 CZ2 TRP A 112 16.342 -0.006 -9.873 1.00 1.00 C ATOM 850 CZ3 TRP A 112 16.404 1.756 -8.205 1.00 1.00 C ATOM 851 CH2 TRP A 112 16.675 1.303 -9.504 1.00 1.00 C ATOM 0 H TRP A 112 12.522 -1.430 -7.366 1.00 1.00 H new ATOM 0 HA TRP A 112 12.590 -0.936 -4.409 1.00 1.00 H new ATOM 0 HB2 TRP A 112 15.094 -1.079 -4.826 1.00 1.00 H new ATOM 0 HB3 TRP A 112 14.235 -2.572 -5.145 1.00 1.00 H new ATOM 0 HD1 TRP A 112 14.339 -3.523 -7.545 1.00 1.00 H new ATOM 0 HE1 TRP A 112 15.356 -2.762 -9.798 1.00 1.00 H new ATOM 0 HE3 TRP A 112 15.593 1.258 -6.270 1.00 1.00 H new ATOM 0 HZ2 TRP A 112 16.549 -0.359 -10.872 1.00 1.00 H new ATOM 0 HZ3 TRP A 112 16.662 2.766 -7.923 1.00 1.00 H new ATOM 0 HH2 TRP A 112 17.141 1.964 -10.220 1.00 1.00 H new ATOM 852 N CYS A 113 13.732 1.408 -4.656 1.00 1.00 N ATOM 853 CA CYS A 113 13.990 2.863 -4.853 1.00 1.00 C ATOM 854 C CYS A 113 15.274 3.263 -4.124 1.00 1.00 C ATOM 855 O CYS A 113 15.584 2.753 -3.066 1.00 1.00 O ATOM 856 CB CYS A 113 12.816 3.674 -4.300 1.00 1.00 C ATOM 857 SG CYS A 113 13.331 5.394 -4.068 1.00 1.00 S ATOM 0 H CYS A 113 13.940 1.050 -3.724 1.00 1.00 H new ATOM 0 HA CYS A 113 14.101 3.066 -5.918 1.00 1.00 H new ATOM 0 HB2 CYS A 113 11.971 3.625 -4.986 1.00 1.00 H new ATOM 0 HB3 CYS A 113 12.482 3.252 -3.352 1.00 1.00 H new ATOM 858 N TYR A 114 16.021 4.174 -4.685 1.00 1.00 N ATOM 859 CA TYR A 114 17.286 4.616 -4.031 1.00 1.00 C ATOM 860 C TYR A 114 16.962 5.298 -2.699 1.00 1.00 C ATOM 861 O TYR A 114 16.823 6.502 -2.628 1.00 1.00 O ATOM 862 CB TYR A 114 18.010 5.606 -4.947 1.00 1.00 C ATOM 863 CG TYR A 114 18.817 4.846 -5.974 1.00 1.00 C ATOM 864 CD1 TYR A 114 18.329 3.642 -6.499 1.00 1.00 C ATOM 865 CD2 TYR A 114 20.055 5.345 -6.399 1.00 1.00 C ATOM 866 CE1 TYR A 114 19.079 2.938 -7.450 1.00 1.00 C ATOM 867 CE2 TYR A 114 20.805 4.641 -7.349 1.00 1.00 C ATOM 868 CZ TYR A 114 20.318 3.437 -7.875 1.00 1.00 C ATOM 869 OH TYR A 114 21.058 2.744 -8.811 1.00 1.00 O ATOM 0 H TYR A 114 15.809 4.633 -5.571 1.00 1.00 H new ATOM 0 HA TYR A 114 17.924 3.751 -3.849 1.00 1.00 H new ATOM 0 HB2 TYR A 114 17.287 6.254 -5.444 1.00 1.00 H new ATOM 0 HB3 TYR A 114 18.664 6.250 -4.359 1.00 1.00 H new ATOM 0 HD1 TYR A 114 17.375 3.257 -6.171 1.00 1.00 H new ATOM 0 HD2 TYR A 114 20.431 6.273 -5.994 1.00 1.00 H new ATOM 0 HE1 TYR A 114 18.702 2.011 -7.856 1.00 1.00 H new ATOM 0 HE2 TYR A 114 21.759 5.026 -7.677 1.00 1.00 H new ATOM 0 HH TYR A 114 20.455 2.250 -9.405 1.00 1.00 H new ATOM 870 N VAL A 115 16.845 4.541 -1.642 1.00 1.00 N ATOM 871 CA VAL A 115 16.535 5.155 -0.320 1.00 1.00 C ATOM 872 C VAL A 115 17.793 5.132 0.552 1.00 1.00 C ATOM 873 O VAL A 115 18.512 4.154 0.597 1.00 1.00 O ATOM 874 CB VAL A 115 15.406 4.371 0.360 1.00 1.00 C ATOM 875 CG1 VAL A 115 15.641 2.871 0.186 1.00 1.00 C ATOM 876 CG2 VAL A 115 15.366 4.711 1.853 1.00 1.00 C ATOM 0 H VAL A 115 16.950 3.526 -1.637 1.00 1.00 H new ATOM 0 HA VAL A 115 16.212 6.187 -0.458 1.00 1.00 H new ATOM 0 HB VAL A 115 14.456 4.644 -0.099 1.00 1.00 H new ATOM 0 HG11 VAL A 115 14.836 2.318 0.671 1.00 1.00 H new ATOM 0 HG12 VAL A 115 15.661 2.627 -0.876 1.00 1.00 H new ATOM 0 HG13 VAL A 115 16.594 2.597 0.639 1.00 1.00 H new ATOM 0 HG21 VAL A 115 14.562 4.152 2.332 1.00 1.00 H new ATOM 0 HG22 VAL A 115 16.318 4.444 2.313 1.00 1.00 H new ATOM 0 HG23 VAL A 115 15.189 5.779 1.978 1.00 1.00 H new ATOM 877 N GLN A 116 18.067 6.208 1.237 1.00 1.00 N ATOM 878 CA GLN A 116 19.283 6.260 2.097 1.00 1.00 C ATOM 879 C GLN A 116 19.264 5.100 3.097 1.00 1.00 C ATOM 880 O GLN A 116 18.328 4.937 3.855 1.00 1.00 O ATOM 881 CB GLN A 116 19.310 7.587 2.858 1.00 1.00 C ATOM 882 CG GLN A 116 20.390 8.494 2.265 1.00 1.00 C ATOM 883 CD GLN A 116 20.865 9.485 3.329 1.00 1.00 C ATOM 884 OE1 GLN A 116 22.036 9.535 3.649 1.00 1.00 O ATOM 885 NE2 GLN A 116 20.000 10.281 3.894 1.00 1.00 N ATOM 0 H GLN A 116 17.500 7.056 1.238 1.00 1.00 H new ATOM 0 HA GLN A 116 20.170 6.178 1.470 1.00 1.00 H new ATOM 0 HB2 GLN A 116 18.337 8.074 2.796 1.00 1.00 H new ATOM 0 HB3 GLN A 116 19.510 7.408 3.915 1.00 1.00 H new ATOM 0 HG2 GLN A 116 21.229 7.895 1.911 1.00 1.00 H new ATOM 0 HG3 GLN A 116 19.995 9.031 1.403 1.00 1.00 H new ATOM 0 HE21 GLN A 116 19.017 10.239 3.625 1.00 1.00 H new ATOM 0 HE22 GLN A 116 20.307 10.946 4.604 1.00 1.00 H new ATOM 886 N VAL A 117 20.295 4.297 3.111 1.00 1.00 N ATOM 887 CA VAL A 117 20.336 3.157 4.070 1.00 1.00 C ATOM 888 C VAL A 117 21.185 3.556 5.280 1.00 1.00 C ATOM 889 O VAL A 117 21.616 2.733 6.062 1.00 1.00 O ATOM 890 CB VAL A 117 20.929 1.924 3.374 1.00 1.00 C ATOM 891 CG1 VAL A 117 21.284 0.855 4.409 1.00 1.00 C ATOM 892 CG2 VAL A 117 19.895 1.354 2.403 1.00 1.00 C ATOM 0 H VAL A 117 21.108 4.382 2.501 1.00 1.00 H new ATOM 0 HA VAL A 117 19.329 2.912 4.408 1.00 1.00 H new ATOM 0 HB VAL A 117 21.831 2.216 2.836 1.00 1.00 H new ATOM 0 HG11 VAL A 117 21.704 -0.015 3.904 1.00 1.00 H new ATOM 0 HG12 VAL A 117 22.016 1.256 5.110 1.00 1.00 H new ATOM 0 HG13 VAL A 117 20.385 0.561 4.952 1.00 1.00 H new ATOM 0 HG21 VAL A 117 20.309 0.477 1.904 1.00 1.00 H new ATOM 0 HG22 VAL A 117 18.998 1.069 2.953 1.00 1.00 H new ATOM 0 HG23 VAL A 117 19.640 2.108 1.659 1.00 1.00 H new ATOM 893 N GLY A 118 21.408 4.828 5.446 1.00 1.00 N ATOM 894 CA GLY A 118 22.207 5.303 6.609 1.00 1.00 C ATOM 895 C GLY A 118 23.597 5.743 6.153 1.00 1.00 C ATOM 896 O GLY A 118 24.453 6.054 6.957 1.00 1.00 O ATOM 0 H GLY A 118 21.070 5.563 4.824 1.00 1.00 H new ATOM 0 HA2 GLY A 118 21.696 6.134 7.095 1.00 1.00 H new ATOM 0 HA3 GLY A 118 22.294 4.507 7.348 1.00 1.00 H new ATOM 897 N LEU A 119 23.829 5.778 4.874 1.00 1.00 N ATOM 898 CA LEU A 119 25.166 6.205 4.376 1.00 1.00 C ATOM 899 C LEU A 119 25.093 6.425 2.868 1.00 1.00 C ATOM 900 O LEU A 119 25.664 7.356 2.336 1.00 1.00 O ATOM 901 CB LEU A 119 26.219 5.129 4.677 1.00 1.00 C ATOM 902 CG LEU A 119 25.542 3.781 4.938 1.00 1.00 C ATOM 903 CD1 LEU A 119 26.413 2.655 4.380 1.00 1.00 C ATOM 904 CD2 LEU A 119 25.366 3.592 6.444 1.00 1.00 C ATOM 0 H LEU A 119 23.153 5.530 4.151 1.00 1.00 H new ATOM 0 HA LEU A 119 25.451 7.130 4.878 1.00 1.00 H new ATOM 0 HB2 LEU A 119 26.909 5.041 3.838 1.00 1.00 H new ATOM 0 HB3 LEU A 119 26.809 5.421 5.545 1.00 1.00 H new ATOM 0 HG LEU A 119 24.568 3.759 4.449 1.00 1.00 H new ATOM 0 HD11 LEU A 119 25.931 1.695 4.566 1.00 1.00 H new ATOM 0 HD12 LEU A 119 26.543 2.794 3.307 1.00 1.00 H new ATOM 0 HD13 LEU A 119 27.387 2.672 4.869 1.00 1.00 H new ATOM 0 HD21 LEU A 119 24.884 2.633 6.637 1.00 1.00 H new ATOM 0 HD22 LEU A 119 26.342 3.612 6.930 1.00 1.00 H new ATOM 0 HD23 LEU A 119 24.746 4.396 6.842 1.00 1.00 H new ATOM 905 N LYS A 120 24.395 5.571 2.174 1.00 1.00 N ATOM 906 CA LYS A 120 24.288 5.729 0.695 1.00 1.00 C ATOM 907 C LYS A 120 22.911 5.249 0.218 1.00 1.00 C ATOM 908 O LYS A 120 22.445 4.210 0.643 1.00 1.00 O ATOM 909 CB LYS A 120 25.378 4.898 0.016 1.00 1.00 C ATOM 910 CG LYS A 120 25.335 3.464 0.549 1.00 1.00 C ATOM 911 CD LYS A 120 25.787 2.498 -0.548 1.00 1.00 C ATOM 912 CE LYS A 120 26.857 1.556 0.007 1.00 1.00 C ATOM 913 NZ LYS A 120 27.288 0.611 -1.060 1.00 1.00 N ATOM 0 H LYS A 120 23.895 4.772 2.564 1.00 1.00 H new ATOM 0 HA LYS A 120 24.412 6.781 0.436 1.00 1.00 H new ATOM 0 HB2 LYS A 120 25.232 4.900 -1.064 1.00 1.00 H new ATOM 0 HB3 LYS A 120 26.357 5.338 0.206 1.00 1.00 H new ATOM 0 HG2 LYS A 120 25.982 3.369 1.421 1.00 1.00 H new ATOM 0 HG3 LYS A 120 24.325 3.215 0.873 1.00 1.00 H new ATOM 0 HD2 LYS A 120 24.936 1.923 -0.914 1.00 1.00 H new ATOM 0 HD3 LYS A 120 26.183 3.055 -1.397 1.00 1.00 H new ATOM 0 HE2 LYS A 120 27.711 2.130 0.366 1.00 1.00 H new ATOM 0 HE3 LYS A 120 26.463 1.003 0.860 1.00 1.00 H new ATOM 0 HZ1 LYS A 120 28.015 -0.030 -0.683 1.00 1.00 H new ATOM 0 HZ2 LYS A 120 26.470 0.055 -1.382 1.00 1.00 H new ATOM 0 HZ3 LYS A 120 27.680 1.147 -1.861 1.00 1.00 H new ATOM 914 N PRO A 121 22.301 6.009 -0.661 1.00 1.00 N ATOM 915 CA PRO A 121 20.996 5.656 -1.202 1.00 1.00 C ATOM 916 C PRO A 121 21.037 4.239 -1.781 1.00 1.00 C ATOM 917 O PRO A 121 21.412 4.035 -2.918 1.00 1.00 O ATOM 918 CB PRO A 121 20.747 6.673 -2.311 1.00 1.00 C ATOM 919 CG PRO A 121 21.647 7.883 -1.907 1.00 1.00 C ATOM 920 CD PRO A 121 22.868 7.268 -1.166 1.00 1.00 C ATOM 0 HA PRO A 121 20.212 5.673 -0.445 1.00 1.00 H new ATOM 0 HB2 PRO A 121 21.023 6.277 -3.288 1.00 1.00 H new ATOM 0 HB3 PRO A 121 19.696 6.956 -2.367 1.00 1.00 H new ATOM 0 HG2 PRO A 121 21.964 8.446 -2.785 1.00 1.00 H new ATOM 0 HG3 PRO A 121 21.106 8.576 -1.263 1.00 1.00 H new ATOM 0 HD2 PRO A 121 23.711 7.099 -1.835 1.00 1.00 H new ATOM 0 HD3 PRO A 121 23.225 7.910 -0.360 1.00 1.00 H new ATOM 921 N LEU A 122 20.654 3.261 -1.011 1.00 1.00 N ATOM 922 CA LEU A 122 20.672 1.862 -1.522 1.00 1.00 C ATOM 923 C LEU A 122 19.289 1.515 -2.073 1.00 1.00 C ATOM 924 O LEU A 122 18.278 1.920 -1.535 1.00 1.00 O ATOM 925 CB LEU A 122 21.027 0.909 -0.379 1.00 1.00 C ATOM 926 CG LEU A 122 22.271 0.099 -0.746 1.00 1.00 C ATOM 927 CD1 LEU A 122 22.428 -1.065 0.234 1.00 1.00 C ATOM 928 CD2 LEU A 122 22.125 -0.449 -2.168 1.00 1.00 C ATOM 0 H LEU A 122 20.329 3.369 -0.050 1.00 1.00 H new ATOM 0 HA LEU A 122 21.415 1.765 -2.314 1.00 1.00 H new ATOM 0 HB2 LEU A 122 21.207 1.474 0.535 1.00 1.00 H new ATOM 0 HB3 LEU A 122 20.191 0.238 -0.180 1.00 1.00 H new ATOM 0 HG LEU A 122 23.150 0.741 -0.693 1.00 1.00 H new ATOM 0 HD11 LEU A 122 23.315 -1.643 -0.027 1.00 1.00 H new ATOM 0 HD12 LEU A 122 22.533 -0.676 1.247 1.00 1.00 H new ATOM 0 HD13 LEU A 122 21.548 -1.706 0.181 1.00 1.00 H new ATOM 0 HD21 LEU A 122 23.012 -1.026 -2.428 1.00 1.00 H new ATOM 0 HD22 LEU A 122 21.246 -1.091 -2.222 1.00 1.00 H new ATOM 0 HD23 LEU A 122 22.013 0.379 -2.867 1.00 1.00 H new ATOM 929 N VAL A 123 19.232 0.776 -3.147 1.00 1.00 N ATOM 930 CA VAL A 123 17.909 0.418 -3.728 1.00 1.00 C ATOM 931 C VAL A 123 17.192 -0.573 -2.806 1.00 1.00 C ATOM 932 O VAL A 123 17.672 -1.660 -2.552 1.00 1.00 O ATOM 933 CB VAL A 123 18.104 -0.200 -5.120 1.00 1.00 C ATOM 934 CG1 VAL A 123 19.244 0.519 -5.842 1.00 1.00 C ATOM 935 CG2 VAL A 123 18.446 -1.689 -4.996 1.00 1.00 C ATOM 0 H VAL A 123 20.042 0.406 -3.645 1.00 1.00 H new ATOM 0 HA VAL A 123 17.300 1.317 -3.823 1.00 1.00 H new ATOM 0 HB VAL A 123 17.179 -0.092 -5.686 1.00 1.00 H new ATOM 0 HG11 VAL A 123 19.383 0.080 -6.830 1.00 1.00 H new ATOM 0 HG12 VAL A 123 19.000 1.576 -5.945 1.00 1.00 H new ATOM 0 HG13 VAL A 123 20.163 0.414 -5.266 1.00 1.00 H new ATOM 0 HG21 VAL A 123 18.582 -2.115 -5.990 1.00 1.00 H new ATOM 0 HG22 VAL A 123 19.366 -1.805 -4.423 1.00 1.00 H new ATOM 0 HG23 VAL A 123 17.634 -2.208 -4.487 1.00 1.00 H new ATOM 936 N GLN A 124 16.044 -0.208 -2.310 1.00 1.00 N ATOM 937 CA GLN A 124 15.295 -1.131 -1.416 1.00 1.00 C ATOM 938 C GLN A 124 13.991 -1.534 -2.101 1.00 1.00 C ATOM 939 O GLN A 124 13.148 -0.707 -2.381 1.00 1.00 O ATOM 940 CB GLN A 124 14.979 -0.427 -0.095 1.00 1.00 C ATOM 941 CG GLN A 124 15.919 -0.941 0.997 1.00 1.00 C ATOM 942 CD GLN A 124 16.979 0.120 1.297 1.00 1.00 C ATOM 943 OE1 GLN A 124 17.814 0.472 0.358 1.00 1.00 O flip ATOM 944 NE2 GLN A 124 17.047 0.633 2.395 1.00 1.00 N flip ATOM 0 H GLN A 124 15.592 0.690 -2.485 1.00 1.00 H new ATOM 0 HA GLN A 124 15.898 -2.016 -1.214 1.00 1.00 H new ATOM 0 HB2 GLN A 124 15.093 0.651 -0.209 1.00 1.00 H new ATOM 0 HB3 GLN A 124 13.942 -0.610 0.188 1.00 1.00 H new ATOM 0 HG2 GLN A 124 15.354 -1.171 1.900 1.00 1.00 H new ATOM 0 HG3 GLN A 124 16.396 -1.867 0.675 1.00 1.00 H new ATOM 0 HE21 GLN A 124 16.394 0.357 3.128 1.00 1.00 H new ATOM 0 HE22 GLN A 124 17.757 1.340 2.584 1.00 1.00 H new ATOM 945 N GLU A 125 13.820 -2.797 -2.375 1.00 1.00 N ATOM 946 CA GLU A 125 12.569 -3.251 -3.042 1.00 1.00 C ATOM 947 C GLU A 125 11.366 -2.815 -2.203 1.00 1.00 C ATOM 948 O GLU A 125 10.909 -3.539 -1.342 1.00 1.00 O ATOM 949 CB GLU A 125 12.583 -4.775 -3.162 1.00 1.00 C ATOM 950 CG GLU A 125 13.983 -5.244 -3.564 1.00 1.00 C ATOM 951 CD GLU A 125 13.876 -6.236 -4.723 1.00 1.00 C ATOM 952 OE1 GLU A 125 12.998 -6.057 -5.551 1.00 1.00 O ATOM 953 OE2 GLU A 125 14.675 -7.157 -4.764 1.00 1.00 O ATOM 0 H GLU A 125 14.493 -3.534 -2.166 1.00 1.00 H new ATOM 0 HA GLU A 125 12.500 -2.810 -4.036 1.00 1.00 H new ATOM 0 HB2 GLU A 125 12.295 -5.227 -2.213 1.00 1.00 H new ATOM 0 HB3 GLU A 125 11.853 -5.098 -3.904 1.00 1.00 H new ATOM 0 HG2 GLU A 125 14.594 -4.390 -3.857 1.00 1.00 H new ATOM 0 HG3 GLU A 125 14.479 -5.713 -2.714 1.00 1.00 H new ATOM 954 N CYS A 126 10.855 -1.636 -2.444 1.00 1.00 N ATOM 955 CA CYS A 126 9.684 -1.148 -1.659 1.00 1.00 C ATOM 956 C CYS A 126 8.689 -2.293 -1.453 1.00 1.00 C ATOM 957 O CYS A 126 8.147 -2.833 -2.397 1.00 1.00 O ATOM 958 CB CYS A 126 8.997 -0.015 -2.425 1.00 1.00 C ATOM 959 SG CYS A 126 10.160 1.353 -2.652 1.00 1.00 S ATOM 0 H CYS A 126 11.200 -0.989 -3.153 1.00 1.00 H new ATOM 0 HA CYS A 126 10.025 -0.784 -0.690 1.00 1.00 H new ATOM 0 HB2 CYS A 126 8.649 -0.375 -3.393 1.00 1.00 H new ATOM 0 HB3 CYS A 126 8.119 0.328 -1.878 1.00 1.00 H new ATOM 960 N MET A 127 8.447 -2.673 -0.227 1.00 1.00 N ATOM 961 CA MET A 127 7.490 -3.785 0.030 1.00 1.00 C ATOM 962 C MET A 127 6.164 -3.501 -0.682 1.00 1.00 C ATOM 963 O MET A 127 5.941 -2.421 -1.192 1.00 1.00 O ATOM 964 CB MET A 127 7.262 -3.930 1.535 1.00 1.00 C ATOM 965 CG MET A 127 6.248 -2.898 2.015 1.00 1.00 C ATOM 966 SD MET A 127 6.934 -1.234 1.824 1.00 1.00 S ATOM 967 CE MET A 127 6.833 -0.747 3.564 1.00 1.00 C ATOM 0 H MET A 127 8.870 -2.262 0.605 1.00 1.00 H new ATOM 0 HA MET A 127 7.904 -4.716 -0.356 1.00 1.00 H new ATOM 0 HB2 MET A 127 6.904 -4.935 1.761 1.00 1.00 H new ATOM 0 HB3 MET A 127 8.204 -3.800 2.067 1.00 1.00 H new ATOM 0 HG2 MET A 127 5.324 -2.989 1.444 1.00 1.00 H new ATOM 0 HG3 MET A 127 5.996 -3.080 3.060 1.00 1.00 H new ATOM 0 HE1 MET A 127 7.429 0.151 3.726 1.00 1.00 H new ATOM 0 HE2 MET A 127 5.794 -0.545 3.826 1.00 1.00 H new ATOM 0 HE3 MET A 127 7.215 -1.553 4.190 1.00 1.00 H new ATOM 968 N VAL A 128 5.283 -4.463 -0.719 1.00 1.00 N ATOM 969 CA VAL A 128 3.973 -4.251 -1.396 1.00 1.00 C ATOM 970 C VAL A 128 3.235 -5.588 -1.495 1.00 1.00 C ATOM 971 O VAL A 128 3.796 -6.589 -1.894 1.00 1.00 O ATOM 972 CB VAL A 128 4.209 -3.690 -2.801 1.00 1.00 C ATOM 973 CG1 VAL A 128 5.288 -4.514 -3.504 1.00 1.00 C ATOM 974 CG2 VAL A 128 2.908 -3.760 -3.606 1.00 1.00 C ATOM 0 H VAL A 128 5.414 -5.388 -0.309 1.00 1.00 H new ATOM 0 HA VAL A 128 3.373 -3.545 -0.822 1.00 1.00 H new ATOM 0 HB VAL A 128 4.534 -2.652 -2.727 1.00 1.00 H new ATOM 0 HG11 VAL A 128 5.456 -4.115 -4.504 1.00 1.00 H new ATOM 0 HG12 VAL A 128 6.215 -4.463 -2.932 1.00 1.00 H new ATOM 0 HG13 VAL A 128 4.963 -5.552 -3.577 1.00 1.00 H new ATOM 0 HG21 VAL A 128 3.077 -3.360 -4.606 1.00 1.00 H new ATOM 0 HG22 VAL A 128 2.581 -4.797 -3.680 1.00 1.00 H new ATOM 0 HG23 VAL A 128 2.138 -3.172 -3.106 1.00 1.00 H new ATOM 975 N HIS A 129 1.981 -5.614 -1.134 1.00 1.00 N ATOM 976 CA HIS A 129 1.213 -6.888 -1.207 1.00 1.00 C ATOM 977 C HIS A 129 0.723 -7.107 -2.639 1.00 1.00 C ATOM 978 O HIS A 129 0.529 -6.172 -3.390 1.00 1.00 O ATOM 979 CB HIS A 129 0.014 -6.817 -0.260 1.00 1.00 C ATOM 980 CG HIS A 129 -0.731 -8.124 -0.295 1.00 1.00 C ATOM 981 ND1 HIS A 129 -0.097 -9.341 -0.100 1.00 1.00 N ATOM 982 CD2 HIS A 129 -2.056 -8.419 -0.501 1.00 1.00 C ATOM 983 CE1 HIS A 129 -1.033 -10.304 -0.193 1.00 1.00 C ATOM 984 NE2 HIS A 129 -2.244 -9.797 -0.436 1.00 1.00 N ATOM 0 H HIS A 129 1.456 -4.809 -0.792 1.00 1.00 H new ATOM 0 HA HIS A 129 1.857 -7.717 -0.914 1.00 1.00 H new ATOM 0 HB2 HIS A 129 0.351 -6.605 0.755 1.00 1.00 H new ATOM 0 HB3 HIS A 129 -0.647 -6.001 -0.553 1.00 1.00 H new ATOM 0 HD2 HIS A 129 -2.834 -7.693 -0.685 1.00 1.00 H new ATOM 0 HE1 HIS A 129 -0.829 -11.359 -0.084 1.00 1.00 H new ATOM 0 HE2 HIS A 129 -3.119 -10.309 -0.550 1.00 1.00 H new ATOM 985 N ASP A 130 0.522 -8.338 -3.024 1.00 1.00 N ATOM 986 CA ASP A 130 0.046 -8.619 -4.408 1.00 1.00 C ATOM 987 C ASP A 130 -1.456 -8.909 -4.385 1.00 1.00 C ATOM 988 O ASP A 130 -2.029 -9.185 -3.350 1.00 1.00 O ATOM 989 CB ASP A 130 0.792 -9.834 -4.965 1.00 1.00 C ATOM 990 CG ASP A 130 1.187 -9.568 -6.418 1.00 1.00 C ATOM 991 OD1 ASP A 130 0.484 -8.817 -7.074 1.00 1.00 O ATOM 992 OD2 ASP A 130 2.185 -10.120 -6.851 1.00 1.00 O ATOM 0 H ASP A 130 0.667 -9.161 -2.440 1.00 1.00 H new ATOM 0 HA ASP A 130 0.237 -7.752 -5.040 1.00 1.00 H new ATOM 0 HB2 ASP A 130 1.681 -10.034 -4.366 1.00 1.00 H new ATOM 0 HB3 ASP A 130 0.161 -10.721 -4.905 1.00 1.00 H new ATOM 993 N CYS A 131 -2.096 -8.851 -5.521 1.00 1.00 N ATOM 994 CA CYS A 131 -3.560 -9.124 -5.567 1.00 1.00 C ATOM 995 C CYS A 131 -3.829 -10.296 -6.513 1.00 1.00 C ATOM 996 O CYS A 131 -3.085 -10.538 -7.443 1.00 1.00 O ATOM 997 CB CYS A 131 -4.296 -7.881 -6.073 1.00 1.00 C ATOM 998 SG CYS A 131 -4.515 -6.712 -4.708 1.00 1.00 S ATOM 0 H CYS A 131 -1.668 -8.626 -6.419 1.00 1.00 H new ATOM 0 HA CYS A 131 -3.915 -9.374 -4.567 1.00 1.00 H new ATOM 0 HB2 CYS A 131 -3.731 -7.413 -6.879 1.00 1.00 H new ATOM 0 HB3 CYS A 131 -5.265 -8.162 -6.485 1.00 1.00 H new ATOM 999 N ALA A 132 -4.885 -11.026 -6.285 1.00 1.00 N ATOM 1000 CA ALA A 132 -5.198 -12.181 -7.173 1.00 1.00 C ATOM 1001 C ALA A 132 -5.838 -11.672 -8.466 1.00 1.00 C ATOM 1002 O ALA A 132 -5.610 -12.204 -9.534 1.00 1.00 O ATOM 1003 CB ALA A 132 -6.169 -13.124 -6.460 1.00 1.00 C ATOM 0 H ALA A 132 -5.545 -10.873 -5.522 1.00 1.00 H new ATOM 0 HA ALA A 132 -4.279 -12.717 -7.409 1.00 1.00 H new ATOM 0 HB1 ALA A 132 -6.398 -13.969 -7.109 1.00 1.00 H new ATOM 0 HB2 ALA A 132 -5.713 -13.487 -5.539 1.00 1.00 H new ATOM 0 HB3 ALA A 132 -7.088 -12.589 -6.223 1.00 1.00 H new ATOM 1004 N ASP A 133 -6.637 -10.643 -8.380 1.00 1.00 N ATOM 1005 CA ASP A 133 -7.289 -10.101 -9.605 1.00 1.00 C ATOM 1006 C ASP A 133 -8.374 -11.071 -10.077 1.00 1.00 C ATOM 1007 O ASP A 133 -8.276 -11.658 -11.136 1.00 1.00 O ATOM 1008 CB ASP A 133 -6.242 -9.931 -10.708 1.00 1.00 C ATOM 1009 CG ASP A 133 -6.680 -8.819 -11.662 1.00 1.00 C ATOM 1010 OD1 ASP A 133 -7.855 -8.489 -11.656 1.00 1.00 O ATOM 1011 OD2 ASP A 133 -5.834 -8.315 -12.382 1.00 1.00 O ATOM 0 H ASP A 133 -6.866 -10.155 -7.514 1.00 1.00 H new ATOM 0 HA ASP A 133 -7.739 -9.134 -9.379 1.00 1.00 H new ATOM 0 HB2 ASP A 133 -5.274 -9.688 -10.270 1.00 1.00 H new ATOM 0 HB3 ASP A 133 -6.119 -10.866 -11.255 1.00 1.00 H new ATOM 1012 N GLY A 134 -9.408 -11.244 -9.301 1.00 1.00 N ATOM 1013 CA GLY A 134 -10.497 -12.176 -9.708 1.00 1.00 C ATOM 1014 C GLY A 134 -11.654 -11.379 -10.313 1.00 1.00 C ATOM 1015 O GLY A 134 -12.806 -11.600 -9.997 1.00 1.00 O ATOM 0 H GLY A 134 -9.546 -10.781 -8.403 1.00 1.00 H new ATOM 0 HA2 GLY A 134 -10.120 -12.897 -10.433 1.00 1.00 H new ATOM 0 HA3 GLY A 134 -10.845 -12.744 -8.845 1.00 1.00 H new ATOM 1016 N LYS A 135 -11.356 -10.452 -11.182 1.00 1.00 N ATOM 1017 CA LYS A 135 -12.440 -9.642 -11.807 1.00 1.00 C ATOM 1018 C LYS A 135 -12.638 -10.087 -13.257 1.00 1.00 C ATOM 1019 O LYS A 135 -13.675 -10.663 -13.543 1.00 1.00 O ATOM 1020 CB LYS A 135 -12.052 -8.162 -11.777 1.00 1.00 C ATOM 1021 CG LYS A 135 -13.309 -7.301 -11.914 1.00 1.00 C ATOM 1022 CD LYS A 135 -13.032 -5.900 -11.364 1.00 1.00 C ATOM 1023 CE LYS A 135 -13.347 -5.868 -9.868 1.00 1.00 C ATOM 1024 NZ LYS A 135 -13.783 -4.497 -9.481 1.00 1.00 N ATOM 1025 OXT LYS A 135 -11.750 -9.844 -14.057 1.00 1.00 O ATOM 0 H LYS A 135 -10.410 -10.221 -11.486 1.00 1.00 H new ATOM 0 HA LYS A 135 -13.367 -9.787 -11.253 1.00 1.00 H new ATOM 0 HB2 LYS A 135 -11.539 -7.929 -10.844 1.00 1.00 H new ATOM 0 HB3 LYS A 135 -11.357 -7.941 -12.587 1.00 1.00 H new ATOM 0 HG2 LYS A 135 -13.608 -7.240 -12.960 1.00 1.00 H new ATOM 0 HG3 LYS A 135 -14.137 -7.759 -11.372 1.00 1.00 H new ATOM 0 HD2 LYS A 135 -11.989 -5.631 -11.533 1.00 1.00 H new ATOM 0 HD3 LYS A 135 -13.640 -5.164 -11.890 1.00 1.00 H new ATOM 0 HE2 LYS A 135 -14.130 -6.589 -9.635 1.00 1.00 H new ATOM 0 HE3 LYS A 135 -12.467 -6.157 -9.294 1.00 1.00 H new ATOM 0 HZ1 LYS A 135 -13.997 -4.475 -8.464 1.00 1.00 H new ATOM 0 HZ2 LYS A 135 -13.022 -3.819 -9.689 1.00 1.00 H new ATOM 0 HZ3 LYS A 135 -14.634 -4.238 -10.020 1.00 1.00 H new TER 1026 LYS A 135 HETATM 1027 C1 FUC A 136 -3.684 23.583 1.419 1.00 1.00 C HETATM 1028 C2 FUC A 136 -3.997 23.428 2.906 1.00 1.00 C HETATM 1029 C3 FUC A 136 -5.065 24.438 3.306 1.00 1.00 C HETATM 1030 C4 FUC A 136 -6.290 24.225 2.427 1.00 1.00 C HETATM 1031 C5 FUC A 136 -5.884 24.366 0.965 1.00 1.00 C HETATM 1032 C6 FUC A 136 -7.040 24.153 0.009 1.00 1.00 C HETATM 1033 O2 FUC A 136 -2.820 23.632 3.674 1.00 1.00 O HETATM 1034 O3 FUC A 136 -5.410 24.261 4.672 1.00 1.00 O HETATM 1035 O4 FUC A 136 -6.811 22.922 2.650 1.00 1.00 O HETATM 1036 O5 FUC A 136 -4.871 23.394 0.643 1.00 1.00 O HETATM 0 HO4 FUC A 136 -6.351 22.282 2.068 1.00 1.00 H new HETATM 0 HO3 FUC A 136 -6.109 23.578 4.747 1.00 1.00 H new HETATM 0 HO2 FUC A 136 -3.029 23.533 4.626 1.00 1.00 H new HETATM 0 H63 FUC A 136 -7.445 23.150 0.146 1.00 1.00 H new HETATM 0 H62 FUC A 136 -7.818 24.889 0.210 1.00 1.00 H new HETATM 0 H61 FUC A 136 -6.689 24.266 -1.017 1.00 1.00 H new HETATM 0 H5 FUC A 136 -5.518 25.386 0.847 1.00 1.00 H new HETATM 0 H4 FUC A 136 -7.052 24.966 2.671 1.00 1.00 H new HETATM 0 H3 FUC A 136 -4.687 25.451 3.173 1.00 1.00 H new HETATM 0 H2 FUC A 136 -4.366 22.420 3.095 1.00 1.00 H new