USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=26 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 54 ASN : amide:sc= -0.834 X(o=-3.2,f=-3) USER MOD Set 1.2: A 104 ASN : amide:sc= -2.32! C(o=-3.2!,f=-3.3!) USER MOD Set 2.1: A 82 GLN : amide:sc= -23.1! C(o=-23!,f=-26!) USER MOD Set 2.2: A 83 THR OG1 : rot 180:sc= 0.056 USER MOD Set 2.3: A 114 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 76 SER OG : rot 180:sc= 0.0114 USER MOD Set 3.2: A 78 THR OG1 : rot 91:sc= 0.0348 USER MOD Set 4.1: A 66 THR OG1 : rot 180:sc= -2.67! USER MOD Set 4.2: A 67 MET CE :methyl 180:sc= -2.43! (180deg=-0.0877) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.492 K(o=-0.49,f=-3.9!) USER MOD Single : A 15 ASN : amide:sc= -4.47! C(o=-4.5!,f=-8.2!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -5.04! C(o=-5!,f=-8.2!) 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 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.814 K(o=-0.81,f=-4.8!) USER MOD Single : A 29 HIS : no HD1:sc= -0.223 K(o=-0.22,f=-2.2) USER MOD Single : A 32 ASN : amide:sc= 0.371 K(o=0.37,f=-3.3!) USER MOD Single : A 35 LYS NZ :NH3+ -155:sc=-0.00115 (180deg=-0.406) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -5.15! C(o=-5.1!,f=-4.8!) USER MOD Single : A 41 HIS : no HD1:sc= -4.07! C(o=-4.1!,f=-4.5!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 HIS :FLIP no HE2:sc= -1.3 F(o=-1.8,f=-1.3) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -79:sc= 1.19 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -1.99! C(o=-2!,f=-1.8!) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 TYR OH : rot -103:sc= 0.383 USER MOD Single : A 85 HIS : no HE2:sc= -26.1! C(o=-26!,f=-32!) USER MOD Single : A 87 HIS :FLIP no HE2:sc= -1.91! C(o=-3.7!,f=-1.9!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HE2:sc= -18.8! C(o=-19!,f=-22!) USER MOD Single : A 100 ASN : amide:sc= 0.263 X(o=0.26,f=-0.0071) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 GLN : amide:sc= -0.428 K(o=-0.43,f=-1.1) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= -24.7! C(o=-25!,f=-25!) USER MOD Single : A 127 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 129 HIS : no HD1:sc= -0.253 K(o=-0.25,f=-1.8) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 FUC O2 : rot 180:sc= -0.677 USER MOD Single : A 136 FUC O3 : rot -83:sc= 0.0182 USER MOD Single : A 136 FUC O4 : rot -83:sc= 0.0186 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 6 45.154 44.538 3.082 1.00 1.00 N ATOM 2 CA GLN A 6 43.851 44.551 3.804 1.00 1.00 C ATOM 3 C GLN A 6 42.708 44.411 2.796 1.00 1.00 C ATOM 4 O GLN A 6 42.171 45.388 2.313 1.00 1.00 O ATOM 5 CB GLN A 6 43.702 45.871 4.564 1.00 1.00 C ATOM 6 CG GLN A 6 42.622 45.723 5.638 1.00 1.00 C ATOM 7 CD GLN A 6 43.282 45.447 6.990 1.00 1.00 C ATOM 8 OE1 GLN A 6 43.786 44.367 7.225 1.00 1.00 O ATOM 9 NE2 GLN A 6 43.300 46.386 7.897 1.00 1.00 N ATOM 0 HA GLN A 6 43.818 43.720 4.509 1.00 1.00 H new ATOM 0 HB2 GLN A 6 44.651 46.147 5.023 1.00 1.00 H new ATOM 0 HB3 GLN A 6 43.436 46.672 3.874 1.00 1.00 H new ATOM 0 HG2 GLN A 6 42.022 46.631 5.693 1.00 1.00 H new ATOM 0 HG3 GLN A 6 41.945 44.909 5.379 1.00 1.00 H new ATOM 0 HE21 GLN A 6 42.877 47.293 7.700 1.00 1.00 H new ATOM 0 HE22 GLN A 6 43.737 46.212 8.802 1.00 1.00 H new ATOM 10 N VAL A 7 42.332 43.203 2.475 1.00 1.00 N ATOM 11 CA VAL A 7 41.222 43.003 1.498 1.00 1.00 C ATOM 12 C VAL A 7 39.961 42.557 2.245 1.00 1.00 C ATOM 13 O VAL A 7 40.048 41.973 3.307 1.00 1.00 O ATOM 14 CB VAL A 7 41.603 41.931 0.464 1.00 1.00 C ATOM 15 CG1 VAL A 7 41.758 42.584 -0.910 1.00 1.00 C ATOM 16 CG2 VAL A 7 42.925 41.257 0.853 1.00 1.00 C ATOM 0 H VAL A 7 42.744 42.347 2.846 1.00 1.00 H new ATOM 0 HA VAL A 7 41.036 43.944 0.981 1.00 1.00 H new ATOM 0 HB VAL A 7 40.816 41.177 0.434 1.00 1.00 H new ATOM 0 HG11 VAL A 7 42.028 41.826 -1.645 1.00 1.00 H new ATOM 0 HG12 VAL A 7 40.816 43.051 -1.199 1.00 1.00 H new ATOM 0 HG13 VAL A 7 42.540 43.342 -0.866 1.00 1.00 H new ATOM 0 HG21 VAL A 7 43.180 40.501 0.111 1.00 1.00 H new ATOM 0 HG22 VAL A 7 43.716 42.005 0.895 1.00 1.00 H new ATOM 0 HG23 VAL A 7 42.819 40.785 1.830 1.00 1.00 H new ATOM 17 N PRO A 8 38.824 42.848 1.664 1.00 1.00 N ATOM 18 CA PRO A 8 37.542 42.489 2.254 1.00 1.00 C ATOM 19 C PRO A 8 37.535 41.009 2.647 1.00 1.00 C ATOM 20 O PRO A 8 36.903 40.614 3.607 1.00 1.00 O ATOM 21 CB PRO A 8 36.526 42.759 1.149 1.00 1.00 C ATOM 22 CG PRO A 8 37.222 43.844 0.270 1.00 1.00 C ATOM 23 CD PRO A 8 38.747 43.557 0.377 1.00 1.00 C ATOM 0 HA PRO A 8 37.324 43.053 3.161 1.00 1.00 H new ATOM 0 HB2 PRO A 8 36.308 41.858 0.576 1.00 1.00 H new ATOM 0 HB3 PRO A 8 35.579 43.117 1.553 1.00 1.00 H new ATOM 0 HG2 PRO A 8 36.884 43.786 -0.765 1.00 1.00 H new ATOM 0 HG3 PRO A 8 36.986 44.847 0.626 1.00 1.00 H new ATOM 0 HD2 PRO A 8 39.108 42.946 -0.450 1.00 1.00 H new ATOM 0 HD3 PRO A 8 39.338 44.473 0.378 1.00 1.00 H new ATOM 24 N SER A 9 38.233 40.186 1.912 1.00 1.00 N ATOM 25 CA SER A 9 38.266 38.734 2.244 1.00 1.00 C ATOM 26 C SER A 9 39.191 38.008 1.265 1.00 1.00 C ATOM 27 O SER A 9 39.446 38.477 0.174 1.00 1.00 O ATOM 28 CB SER A 9 36.855 38.155 2.138 1.00 1.00 C ATOM 29 OG SER A 9 36.549 37.912 0.771 1.00 1.00 O ATOM 0 H SER A 9 38.782 40.457 1.096 1.00 1.00 H new ATOM 0 HA SER A 9 38.637 38.602 3.260 1.00 1.00 H new ATOM 0 HB2 SER A 9 36.786 37.229 2.708 1.00 1.00 H new ATOM 0 HB3 SER A 9 36.132 38.848 2.567 1.00 1.00 H new ATOM 0 HG SER A 9 35.646 37.539 0.699 1.00 1.00 H new ATOM 30 N ASN A 10 39.694 36.866 1.645 1.00 1.00 N ATOM 31 CA ASN A 10 40.601 36.112 0.735 1.00 1.00 C ATOM 32 C ASN A 10 40.578 34.628 1.105 1.00 1.00 C ATOM 33 O ASN A 10 41.603 33.977 1.164 1.00 1.00 O ATOM 34 CB ASN A 10 42.027 36.650 0.873 1.00 1.00 C ATOM 35 CG ASN A 10 42.427 37.373 -0.414 1.00 1.00 C ATOM 36 OD1 ASN A 10 41.623 37.531 -1.311 1.00 1.00 O ATOM 37 ND2 ASN A 10 43.646 37.820 -0.545 1.00 1.00 N ATOM 0 H ASN A 10 39.516 36.423 2.546 1.00 1.00 H new ATOM 0 HA ASN A 10 40.265 36.235 -0.295 1.00 1.00 H new ATOM 0 HB2 ASN A 10 42.089 37.333 1.720 1.00 1.00 H new ATOM 0 HB3 ASN A 10 42.718 35.831 1.072 1.00 1.00 H new ATOM 0 HD21 ASN A 10 43.923 38.302 -1.400 1.00 1.00 H new ATOM 0 HD22 ASN A 10 44.321 37.688 0.208 1.00 1.00 H new ATOM 38 N CYS A 11 39.418 34.087 1.355 1.00 1.00 N ATOM 39 CA CYS A 11 39.331 32.645 1.721 1.00 1.00 C ATOM 40 C CYS A 11 39.109 31.812 0.457 1.00 1.00 C ATOM 41 O CYS A 11 39.482 32.204 -0.630 1.00 1.00 O ATOM 42 CB CYS A 11 38.162 32.434 2.685 1.00 1.00 C ATOM 43 SG CYS A 11 38.309 33.589 4.071 1.00 1.00 S ATOM 0 H CYS A 11 38.526 34.581 1.322 1.00 1.00 H new ATOM 0 HA CYS A 11 40.258 32.334 2.202 1.00 1.00 H new ATOM 0 HB2 CYS A 11 37.216 32.590 2.166 1.00 1.00 H new ATOM 0 HB3 CYS A 11 38.159 31.407 3.052 1.00 1.00 H new ATOM 44 N ASP A 12 38.503 30.664 0.591 1.00 1.00 N ATOM 45 CA ASP A 12 38.258 29.807 -0.604 1.00 1.00 C ATOM 46 C ASP A 12 36.840 29.237 -0.540 1.00 1.00 C ATOM 47 O ASP A 12 36.628 28.054 -0.719 1.00 1.00 O ATOM 48 CB ASP A 12 39.269 28.659 -0.623 1.00 1.00 C ATOM 49 CG ASP A 12 40.622 29.176 -1.116 1.00 1.00 C ATOM 50 OD1 ASP A 12 41.379 29.669 -0.296 1.00 1.00 O ATOM 51 OD2 ASP A 12 40.877 29.071 -2.304 1.00 1.00 O ATOM 0 H ASP A 12 38.167 30.283 1.475 1.00 1.00 H new ATOM 0 HA ASP A 12 38.369 30.404 -1.509 1.00 1.00 H new ATOM 0 HB2 ASP A 12 39.372 28.235 0.376 1.00 1.00 H new ATOM 0 HB3 ASP A 12 38.915 27.859 -1.274 1.00 1.00 H new ATOM 52 N CYS A 13 35.867 30.067 -0.283 1.00 1.00 N ATOM 53 CA CYS A 13 34.465 29.569 -0.206 1.00 1.00 C ATOM 54 C CYS A 13 33.498 30.745 -0.362 1.00 1.00 C ATOM 55 O CYS A 13 33.699 31.803 0.201 1.00 1.00 O ATOM 56 CB CYS A 13 34.238 28.897 1.150 1.00 1.00 C ATOM 57 SG CYS A 13 35.670 29.191 2.217 1.00 1.00 S ATOM 0 H CYS A 13 35.982 31.068 -0.123 1.00 1.00 H new ATOM 0 HA CYS A 13 34.290 28.847 -1.003 1.00 1.00 H new ATOM 0 HB2 CYS A 13 33.336 29.292 1.617 1.00 1.00 H new ATOM 0 HB3 CYS A 13 34.085 27.826 1.016 1.00 1.00 H new ATOM 58 N LEU A 14 32.449 30.571 -1.121 1.00 1.00 N ATOM 59 CA LEU A 14 31.476 31.685 -1.307 1.00 1.00 C ATOM 60 C LEU A 14 30.052 31.121 -1.318 1.00 1.00 C ATOM 61 O LEU A 14 29.794 30.056 -0.793 1.00 1.00 O ATOM 62 CB LEU A 14 31.767 32.403 -2.631 1.00 1.00 C ATOM 63 CG LEU A 14 31.757 31.399 -3.790 1.00 1.00 C ATOM 64 CD1 LEU A 14 30.320 30.994 -4.125 1.00 1.00 C ATOM 65 CD2 LEU A 14 32.387 32.050 -5.020 1.00 1.00 C ATOM 0 H LEU A 14 32.225 29.709 -1.618 1.00 1.00 H new ATOM 0 HA LEU A 14 31.572 32.397 -0.487 1.00 1.00 H new ATOM 0 HB2 LEU A 14 31.020 33.178 -2.805 1.00 1.00 H new ATOM 0 HB3 LEU A 14 32.736 32.900 -2.579 1.00 1.00 H new ATOM 0 HG LEU A 14 32.322 30.513 -3.499 1.00 1.00 H new ATOM 0 HD11 LEU A 14 30.326 30.281 -4.949 1.00 1.00 H new ATOM 0 HD12 LEU A 14 29.858 30.535 -3.251 1.00 1.00 H new ATOM 0 HD13 LEU A 14 29.751 31.878 -4.414 1.00 1.00 H new ATOM 0 HD21 LEU A 14 32.383 31.342 -5.849 1.00 1.00 H new ATOM 0 HD22 LEU A 14 31.814 32.935 -5.297 1.00 1.00 H new ATOM 0 HD23 LEU A 14 33.414 32.338 -4.794 1.00 1.00 H new ATOM 66 N ASN A 15 29.126 31.826 -1.909 1.00 1.00 N ATOM 67 CA ASN A 15 27.725 31.330 -1.954 1.00 1.00 C ATOM 68 C ASN A 15 27.175 31.244 -0.531 1.00 1.00 C ATOM 69 O ASN A 15 26.283 30.471 -0.243 1.00 1.00 O ATOM 70 CB ASN A 15 27.690 29.943 -2.601 1.00 1.00 C ATOM 71 CG ASN A 15 27.461 30.088 -4.106 1.00 1.00 C ATOM 72 OD1 ASN A 15 27.797 31.099 -4.689 1.00 1.00 O ATOM 73 ND2 ASN A 15 26.898 29.112 -4.766 1.00 1.00 N ATOM 0 H ASN A 15 29.282 32.726 -2.363 1.00 1.00 H new ATOM 0 HA ASN A 15 27.115 32.016 -2.542 1.00 1.00 H new ATOM 0 HB2 ASN A 15 28.627 29.419 -2.414 1.00 1.00 H new ATOM 0 HB3 ASN A 15 26.895 29.343 -2.158 1.00 1.00 H new ATOM 0 HD21 ASN A 15 26.741 29.199 -5.770 1.00 1.00 H new ATOM 0 HD22 ASN A 15 26.615 28.262 -4.277 1.00 1.00 H new ATOM 74 N GLY A 16 27.707 32.030 0.361 1.00 1.00 N ATOM 75 CA GLY A 16 27.225 31.996 1.770 1.00 1.00 C ATOM 76 C GLY A 16 28.088 31.026 2.574 1.00 1.00 C ATOM 77 O GLY A 16 27.696 30.546 3.619 1.00 1.00 O ATOM 0 H GLY A 16 28.457 32.696 0.175 1.00 1.00 H new ATOM 0 HA2 GLY A 16 27.274 32.993 2.208 1.00 1.00 H new ATOM 0 HA3 GLY A 16 26.181 31.685 1.802 1.00 1.00 H new ATOM 78 N GLY A 17 29.264 30.738 2.093 1.00 1.00 N ATOM 79 CA GLY A 17 30.163 29.801 2.825 1.00 1.00 C ATOM 80 C GLY A 17 30.772 30.519 4.030 1.00 1.00 C ATOM 81 O GLY A 17 30.955 31.720 4.020 1.00 1.00 O ATOM 0 H GLY A 17 29.643 31.111 1.223 1.00 1.00 H new ATOM 0 HA2 GLY A 17 29.604 28.925 3.154 1.00 1.00 H new ATOM 0 HA3 GLY A 17 30.952 29.445 2.163 1.00 1.00 H new ATOM 82 N THR A 18 31.087 29.796 5.069 1.00 1.00 N ATOM 83 CA THR A 18 31.681 30.444 6.272 1.00 1.00 C ATOM 84 C THR A 18 33.204 30.300 6.231 1.00 1.00 C ATOM 85 O THR A 18 33.732 29.217 6.076 1.00 1.00 O ATOM 86 CB THR A 18 31.140 29.772 7.531 1.00 1.00 C ATOM 87 OG1 THR A 18 29.766 30.064 7.685 1.00 1.00 O ATOM 88 CG2 THR A 18 31.926 30.305 8.727 1.00 1.00 C ATOM 0 H THR A 18 30.959 28.786 5.137 1.00 1.00 H new ATOM 0 HA THR A 18 31.417 31.501 6.282 1.00 1.00 H new ATOM 0 HB THR A 18 31.252 28.690 7.458 1.00 1.00 H new ATOM 0 HG21 THR A 18 31.558 29.839 9.641 1.00 1.00 H new ATOM 0 HG22 THR A 18 32.983 30.071 8.601 1.00 1.00 H new ATOM 0 HG23 THR A 18 31.799 31.385 8.794 1.00 1.00 H new ATOM 89 N CYS A 19 33.914 31.386 6.372 1.00 1.00 N ATOM 90 CA CYS A 19 35.401 31.313 6.345 1.00 1.00 C ATOM 91 C CYS A 19 35.928 31.210 7.778 1.00 1.00 C ATOM 92 O CYS A 19 35.404 31.823 8.687 1.00 1.00 O ATOM 93 CB CYS A 19 35.962 32.572 5.683 1.00 1.00 C ATOM 94 SG CYS A 19 37.770 32.500 5.684 1.00 1.00 S ATOM 0 H CYS A 19 33.528 32.321 6.505 1.00 1.00 H new ATOM 0 HA CYS A 19 35.714 30.437 5.777 1.00 1.00 H new ATOM 0 HB2 CYS A 19 35.591 32.654 4.661 1.00 1.00 H new ATOM 0 HB3 CYS A 19 35.622 33.459 6.218 1.00 1.00 H new ATOM 95 N VAL A 20 36.957 30.437 7.989 1.00 1.00 N ATOM 96 CA VAL A 20 37.513 30.294 9.364 1.00 1.00 C ATOM 97 C VAL A 20 39.031 30.474 9.325 1.00 1.00 C ATOM 98 O VAL A 20 39.603 30.787 8.299 1.00 1.00 O ATOM 99 CB VAL A 20 37.179 28.903 9.905 1.00 1.00 C ATOM 100 CG1 VAL A 20 35.672 28.661 9.797 1.00 1.00 C ATOM 101 CG2 VAL A 20 37.924 27.847 9.085 1.00 1.00 C ATOM 0 H VAL A 20 37.437 29.898 7.268 1.00 1.00 H new ATOM 0 HA VAL A 20 37.075 31.053 10.013 1.00 1.00 H new ATOM 0 HB VAL A 20 37.483 28.836 10.950 1.00 1.00 H new ATOM 0 HG11 VAL A 20 35.434 27.670 10.183 1.00 1.00 H new ATOM 0 HG12 VAL A 20 35.140 29.414 10.379 1.00 1.00 H new ATOM 0 HG13 VAL A 20 35.367 28.727 8.753 1.00 1.00 H new ATOM 0 HG21 VAL A 20 37.687 26.855 9.469 1.00 1.00 H new ATOM 0 HG22 VAL A 20 37.618 27.915 8.041 1.00 1.00 H new ATOM 0 HG23 VAL A 20 38.998 28.019 9.160 1.00 1.00 H new ATOM 102 N SER A 21 39.690 30.279 10.435 1.00 1.00 N ATOM 103 CA SER A 21 41.171 30.439 10.460 1.00 1.00 C ATOM 104 C SER A 21 41.708 30.021 11.830 1.00 1.00 C ATOM 105 O SER A 21 41.155 30.366 12.855 1.00 1.00 O ATOM 106 CB SER A 21 41.531 31.901 10.197 1.00 1.00 C ATOM 107 OG SER A 21 40.697 32.739 10.986 1.00 1.00 O ATOM 0 H SER A 21 39.267 30.016 11.325 1.00 1.00 H new ATOM 0 HA SER A 21 41.616 29.810 9.689 1.00 1.00 H new ATOM 0 HB2 SER A 21 42.579 32.079 10.440 1.00 1.00 H new ATOM 0 HB3 SER A 21 41.405 32.134 9.140 1.00 1.00 H new ATOM 0 HG SER A 21 40.926 33.677 10.821 1.00 1.00 H new ATOM 108 N ASN A 22 42.781 29.279 11.855 1.00 1.00 N ATOM 109 CA ASN A 22 43.351 28.838 13.160 1.00 1.00 C ATOM 110 C ASN A 22 44.520 29.747 13.546 1.00 1.00 C ATOM 111 O ASN A 22 44.991 30.542 12.758 1.00 1.00 O ATOM 112 CB ASN A 22 43.845 27.395 13.040 1.00 1.00 C ATOM 113 CG ASN A 22 43.535 26.643 14.335 1.00 1.00 C ATOM 114 OD1 ASN A 22 44.334 26.633 15.251 1.00 1.00 O ATOM 115 ND2 ASN A 22 42.400 26.011 14.453 1.00 1.00 N ATOM 0 H ASN A 22 43.287 28.959 11.029 1.00 1.00 H new ATOM 0 HA ASN A 22 42.580 28.896 13.928 1.00 1.00 H new ATOM 0 HB2 ASN A 22 43.362 26.903 12.196 1.00 1.00 H new ATOM 0 HB3 ASN A 22 44.918 27.381 12.846 1.00 1.00 H new ATOM 0 HD21 ASN A 22 42.183 25.509 15.314 1.00 1.00 H new ATOM 0 HD22 ASN A 22 41.729 26.019 13.685 1.00 1.00 H new ATOM 116 N LYS A 23 44.990 29.631 14.757 1.00 1.00 N ATOM 117 CA LYS A 23 46.127 30.480 15.209 1.00 1.00 C ATOM 118 C LYS A 23 47.034 29.652 16.119 1.00 1.00 C ATOM 119 O LYS A 23 48.243 29.675 15.998 1.00 1.00 O ATOM 120 CB LYS A 23 45.583 31.678 15.987 1.00 1.00 C ATOM 121 CG LYS A 23 46.599 32.822 15.945 1.00 1.00 C ATOM 122 CD LYS A 23 47.738 32.532 16.925 1.00 1.00 C ATOM 123 CE LYS A 23 48.624 33.772 17.060 1.00 1.00 C ATOM 124 NZ LYS A 23 49.849 33.600 16.229 1.00 1.00 N ATOM 0 H LYS A 23 44.633 28.981 15.457 1.00 1.00 H new ATOM 0 HA LYS A 23 46.693 30.833 14.347 1.00 1.00 H new ATOM 0 HB2 LYS A 23 44.636 32.004 15.557 1.00 1.00 H new ATOM 0 HB3 LYS A 23 45.383 31.393 17.020 1.00 1.00 H new ATOM 0 HG2 LYS A 23 46.994 32.934 14.935 1.00 1.00 H new ATOM 0 HG3 LYS A 23 46.113 33.763 16.204 1.00 1.00 H new ATOM 0 HD2 LYS A 23 47.333 32.254 17.898 1.00 1.00 H new ATOM 0 HD3 LYS A 23 48.329 31.687 16.572 1.00 1.00 H new ATOM 0 HE2 LYS A 23 48.077 34.659 16.741 1.00 1.00 H new ATOM 0 HE3 LYS A 23 48.898 33.924 18.104 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 50.452 34.443 16.320 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 50.373 32.762 16.553 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 49.578 33.475 15.233 1.00 1.00 H new ATOM 125 N TYR A 24 46.454 28.913 17.023 1.00 1.00 N ATOM 126 CA TYR A 24 47.271 28.070 17.938 1.00 1.00 C ATOM 127 C TYR A 24 47.367 26.665 17.350 1.00 1.00 C ATOM 128 O TYR A 24 47.329 25.676 18.055 1.00 1.00 O ATOM 129 CB TYR A 24 46.594 28.001 19.306 1.00 1.00 C ATOM 130 CG TYR A 24 46.373 29.401 19.827 1.00 1.00 C ATOM 131 CD1 TYR A 24 47.470 30.197 20.182 1.00 1.00 C ATOM 132 CD2 TYR A 24 45.071 29.904 19.956 1.00 1.00 C ATOM 133 CE1 TYR A 24 47.266 31.496 20.666 1.00 1.00 C ATOM 134 CE2 TYR A 24 44.867 31.203 20.440 1.00 1.00 C ATOM 135 CZ TYR A 24 45.964 31.999 20.794 1.00 1.00 C ATOM 136 OH TYR A 24 45.763 33.279 21.270 1.00 1.00 O ATOM 0 H TYR A 24 45.446 28.857 17.168 1.00 1.00 H new ATOM 0 HA TYR A 24 48.267 28.498 18.050 1.00 1.00 H new ATOM 0 HB2 TYR A 24 45.642 27.476 19.227 1.00 1.00 H new ATOM 0 HB3 TYR A 24 47.213 27.435 20.002 1.00 1.00 H new ATOM 0 HD1 TYR A 24 48.473 29.809 20.083 1.00 1.00 H new ATOM 0 HD2 TYR A 24 44.225 29.290 19.682 1.00 1.00 H new ATOM 0 HE1 TYR A 24 48.112 32.109 20.940 1.00 1.00 H new ATOM 0 HE2 TYR A 24 43.864 31.591 20.540 1.00 1.00 H new ATOM 0 HH TYR A 24 44.802 33.471 21.295 1.00 1.00 H new ATOM 137 N PHE A 25 47.478 26.574 16.056 1.00 1.00 N ATOM 138 CA PHE A 25 47.561 25.242 15.402 1.00 1.00 C ATOM 139 C PHE A 25 48.567 25.309 14.253 1.00 1.00 C ATOM 140 O PHE A 25 48.511 24.542 13.314 1.00 1.00 O ATOM 141 CB PHE A 25 46.173 24.878 14.866 1.00 1.00 C ATOM 142 CG PHE A 25 46.177 23.490 14.270 1.00 1.00 C ATOM 143 CD1 PHE A 25 47.264 22.629 14.473 1.00 1.00 C ATOM 144 CD2 PHE A 25 45.080 23.066 13.507 1.00 1.00 C ATOM 145 CE1 PHE A 25 47.254 21.345 13.911 1.00 1.00 C ATOM 146 CE2 PHE A 25 45.071 21.784 12.945 1.00 1.00 C ATOM 147 CZ PHE A 25 46.156 20.924 13.147 1.00 1.00 C ATOM 0 H PHE A 25 47.515 27.370 15.420 1.00 1.00 H new ATOM 0 HA PHE A 25 47.888 24.485 16.115 1.00 1.00 H new ATOM 0 HB2 PHE A 25 45.441 24.931 15.672 1.00 1.00 H new ATOM 0 HB3 PHE A 25 45.868 25.602 14.111 1.00 1.00 H new ATOM 0 HD1 PHE A 25 48.109 22.955 15.062 1.00 1.00 H new ATOM 0 HD2 PHE A 25 44.241 23.729 13.353 1.00 1.00 H new ATOM 0 HE1 PHE A 25 48.091 20.681 14.066 1.00 1.00 H new ATOM 0 HE2 PHE A 25 44.227 21.459 12.355 1.00 1.00 H new ATOM 0 HZ PHE A 25 46.148 19.935 12.714 1.00 1.00 H new ATOM 148 N SER A 26 49.491 26.227 14.322 1.00 1.00 N ATOM 149 CA SER A 26 50.502 26.350 13.236 1.00 1.00 C ATOM 150 C SER A 26 49.858 27.015 12.018 1.00 1.00 C ATOM 151 O SER A 26 50.288 26.829 10.898 1.00 1.00 O ATOM 152 CB SER A 26 51.009 24.960 12.850 1.00 1.00 C ATOM 153 OG SER A 26 52.430 24.966 12.832 1.00 1.00 O ATOM 0 H SER A 26 49.589 26.898 15.084 1.00 1.00 H new ATOM 0 HA SER A 26 51.339 26.956 13.583 1.00 1.00 H new ATOM 0 HB2 SER A 26 50.646 24.218 13.561 1.00 1.00 H new ATOM 0 HB3 SER A 26 50.623 24.679 11.870 1.00 1.00 H new ATOM 0 HG SER A 26 52.758 24.076 12.587 1.00 1.00 H new ATOM 154 N ASN A 27 48.826 27.786 12.230 1.00 1.00 N ATOM 155 CA ASN A 27 48.150 28.463 11.087 1.00 1.00 C ATOM 156 C ASN A 27 47.537 27.411 10.160 1.00 1.00 C ATOM 157 O ASN A 27 48.109 27.048 9.152 1.00 1.00 O ATOM 158 CB ASN A 27 49.172 29.297 10.310 1.00 1.00 C ATOM 159 CG ASN A 27 49.805 30.329 11.245 1.00 1.00 C ATOM 160 OD1 ASN A 27 50.283 29.989 12.309 1.00 1.00 O ATOM 161 ND2 ASN A 27 49.829 31.584 10.890 1.00 1.00 N ATOM 0 H ASN A 27 48.422 27.976 13.147 1.00 1.00 H new ATOM 0 HA ASN A 27 47.363 29.115 11.466 1.00 1.00 H new ATOM 0 HB2 ASN A 27 49.942 28.650 9.891 1.00 1.00 H new ATOM 0 HB3 ASN A 27 48.687 29.799 9.473 1.00 1.00 H new ATOM 0 HD21 ASN A 27 50.249 32.280 11.506 1.00 1.00 H new ATOM 0 HD22 ASN A 27 49.428 31.869 9.997 1.00 1.00 H new ATOM 162 N ILE A 28 46.374 26.919 10.494 1.00 1.00 N ATOM 163 CA ILE A 28 45.722 25.890 9.633 1.00 1.00 C ATOM 164 C ILE A 28 44.290 26.330 9.321 1.00 1.00 C ATOM 165 O ILE A 28 43.353 25.942 9.989 1.00 1.00 O ATOM 166 CB ILE A 28 45.697 24.539 10.361 1.00 1.00 C ATOM 167 CG1 ILE A 28 46.834 24.484 11.385 1.00 1.00 C ATOM 168 CG2 ILE A 28 45.874 23.409 9.345 1.00 1.00 C ATOM 169 CD1 ILE A 28 48.180 24.484 10.659 1.00 1.00 C ATOM 0 H ILE A 28 45.847 27.185 11.326 1.00 1.00 H new ATOM 0 HA ILE A 28 46.285 25.784 8.706 1.00 1.00 H new ATOM 0 HB ILE A 28 44.742 24.424 10.874 1.00 1.00 H new ATOM 0 HG12 ILE A 28 46.772 25.339 12.058 1.00 1.00 H new ATOM 0 HG13 ILE A 28 46.741 23.588 11.999 1.00 1.00 H new ATOM 0 HG21 ILE A 28 45.856 22.449 9.861 1.00 1.00 H new ATOM 0 HG22 ILE A 28 45.064 23.444 8.617 1.00 1.00 H new ATOM 0 HG23 ILE A 28 46.828 23.527 8.832 1.00 1.00 H new ATOM 0 HD11 ILE A 28 48.988 24.445 11.390 1.00 1.00 H new ATOM 0 HD12 ILE A 28 48.240 23.614 10.005 1.00 1.00 H new ATOM 0 HD13 ILE A 28 48.273 25.393 10.064 1.00 1.00 H new ATOM 170 N HIS A 29 44.115 27.141 8.313 1.00 1.00 N ATOM 171 CA HIS A 29 42.744 27.611 7.961 1.00 1.00 C ATOM 172 C HIS A 29 42.030 26.538 7.137 1.00 1.00 C ATOM 173 O HIS A 29 42.614 25.544 6.753 1.00 1.00 O ATOM 174 CB HIS A 29 42.837 28.900 7.141 1.00 1.00 C ATOM 175 CG HIS A 29 44.030 29.701 7.587 1.00 1.00 C ATOM 176 ND1 HIS A 29 44.114 30.262 8.851 1.00 1.00 N ATOM 177 CD2 HIS A 29 45.194 30.046 6.946 1.00 1.00 C ATOM 178 CE1 HIS A 29 45.291 30.909 8.931 1.00 1.00 C ATOM 179 NE2 HIS A 29 45.989 30.809 7.797 1.00 1.00 N ATOM 0 H HIS A 29 44.862 27.499 7.718 1.00 1.00 H new ATOM 0 HA HIS A 29 42.184 27.801 8.876 1.00 1.00 H new ATOM 0 HB2 HIS A 29 42.923 28.662 6.081 1.00 1.00 H new ATOM 0 HB3 HIS A 29 41.927 29.487 7.264 1.00 1.00 H new ATOM 0 HD2 HIS A 29 45.454 29.768 5.935 1.00 1.00 H new ATOM 0 HE1 HIS A 29 45.630 31.444 9.806 1.00 1.00 H new ATOM 0 HE2 HIS A 29 46.907 31.206 7.597 1.00 1.00 H new ATOM 180 N TRP A 30 40.769 26.733 6.861 1.00 1.00 N ATOM 181 CA TRP A 30 40.015 25.726 6.060 1.00 1.00 C ATOM 182 C TRP A 30 38.617 26.264 5.748 1.00 1.00 C ATOM 183 O TRP A 30 37.936 26.788 6.607 1.00 1.00 O ATOM 184 CB TRP A 30 39.898 24.426 6.858 1.00 1.00 C ATOM 185 CG TRP A 30 39.005 24.643 8.035 1.00 1.00 C ATOM 186 CD1 TRP A 30 37.654 24.583 8.014 1.00 1.00 C ATOM 187 CD2 TRP A 30 39.380 24.953 9.404 1.00 1.00 C ATOM 188 NE1 TRP A 30 37.176 24.840 9.287 1.00 1.00 N ATOM 189 CE2 TRP A 30 38.203 25.074 10.180 1.00 1.00 C ATOM 190 CE3 TRP A 30 40.618 25.140 10.038 1.00 1.00 C ATOM 191 CZ2 TRP A 30 38.256 25.371 11.543 1.00 1.00 C ATOM 192 CZ3 TRP A 30 40.679 25.439 11.410 1.00 1.00 C ATOM 193 CH2 TRP A 30 39.499 25.555 12.161 1.00 1.00 C ATOM 0 H TRP A 30 40.228 27.546 7.155 1.00 1.00 H new ATOM 0 HA TRP A 30 40.544 25.533 5.127 1.00 1.00 H new ATOM 0 HB2 TRP A 30 39.498 23.633 6.226 1.00 1.00 H new ATOM 0 HB3 TRP A 30 40.884 24.101 7.191 1.00 1.00 H new ATOM 0 HD1 TRP A 30 37.048 24.370 7.146 1.00 1.00 H new ATOM 0 HE1 TRP A 30 36.187 24.855 9.535 1.00 1.00 H new ATOM 0 HE3 TRP A 30 41.531 25.053 9.467 1.00 1.00 H new ATOM 0 HZ2 TRP A 30 37.345 25.458 12.117 1.00 1.00 H new ATOM 0 HZ3 TRP A 30 41.637 25.580 11.888 1.00 1.00 H new ATOM 0 HH2 TRP A 30 39.550 25.786 13.215 1.00 1.00 H new ATOM 194 N CYS A 31 38.183 26.141 4.522 1.00 1.00 N ATOM 195 CA CYS A 31 36.830 26.646 4.153 1.00 1.00 C ATOM 196 C CYS A 31 35.772 25.963 5.021 1.00 1.00 C ATOM 197 O CYS A 31 35.929 24.830 5.431 1.00 1.00 O ATOM 198 CB CYS A 31 36.555 26.336 2.681 1.00 1.00 C ATOM 199 SG CYS A 31 36.998 27.769 1.671 1.00 1.00 S ATOM 0 H CYS A 31 38.708 25.712 3.760 1.00 1.00 H new ATOM 0 HA CYS A 31 36.791 27.723 4.314 1.00 1.00 H new ATOM 0 HB2 CYS A 31 37.131 25.465 2.368 1.00 1.00 H new ATOM 0 HB3 CYS A 31 35.502 26.090 2.540 1.00 1.00 H new ATOM 200 N ASN A 32 34.693 26.642 5.304 1.00 1.00 N ATOM 201 CA ASN A 32 33.628 26.026 6.144 1.00 1.00 C ATOM 202 C ASN A 32 32.256 26.315 5.531 1.00 1.00 C ATOM 203 O ASN A 32 31.380 26.857 6.176 1.00 1.00 O ATOM 204 CB ASN A 32 33.688 26.612 7.556 1.00 1.00 C ATOM 205 CG ASN A 32 33.283 25.539 8.569 1.00 1.00 C ATOM 206 OD1 ASN A 32 34.118 25.006 9.272 1.00 1.00 O ATOM 207 ND2 ASN A 32 32.028 25.197 8.672 1.00 1.00 N ATOM 0 H ASN A 32 34.504 27.594 4.990 1.00 1.00 H new ATOM 0 HA ASN A 32 33.784 24.948 6.189 1.00 1.00 H new ATOM 0 HB2 ASN A 32 34.695 26.969 7.771 1.00 1.00 H new ATOM 0 HB3 ASN A 32 33.022 27.471 7.634 1.00 1.00 H new ATOM 0 HD21 ASN A 32 31.748 24.482 9.343 1.00 1.00 H new ATOM 0 HD22 ASN A 32 31.327 25.645 8.081 1.00 1.00 H new ATOM 208 N CYS A 33 32.057 25.954 4.293 1.00 1.00 N ATOM 209 CA CYS A 33 30.738 26.205 3.650 1.00 1.00 C ATOM 210 C CYS A 33 29.860 24.959 3.802 1.00 1.00 C ATOM 211 O CYS A 33 30.364 23.865 3.961 1.00 1.00 O ATOM 212 CB CYS A 33 30.939 26.513 2.164 1.00 1.00 C ATOM 213 SG CYS A 33 32.098 25.322 1.448 1.00 1.00 S ATOM 0 H CYS A 33 32.750 25.497 3.700 1.00 1.00 H new ATOM 0 HA CYS A 33 30.254 27.056 4.129 1.00 1.00 H new ATOM 0 HB2 CYS A 33 29.984 26.466 1.640 1.00 1.00 H new ATOM 0 HB3 CYS A 33 31.321 27.526 2.041 1.00 1.00 H new ATOM 214 N PRO A 34 28.568 25.163 3.751 1.00 1.00 N ATOM 215 CA PRO A 34 27.611 24.075 3.882 1.00 1.00 C ATOM 216 C PRO A 34 28.005 22.907 2.972 1.00 1.00 C ATOM 217 O PRO A 34 28.653 23.086 1.960 1.00 1.00 O ATOM 218 CB PRO A 34 26.284 24.683 3.445 1.00 1.00 C ATOM 219 CG PRO A 34 26.465 26.205 3.744 1.00 1.00 C ATOM 220 CD PRO A 34 27.981 26.498 3.555 1.00 1.00 C ATOM 0 HA PRO A 34 27.565 23.674 4.894 1.00 1.00 H new ATOM 0 HB2 PRO A 34 26.088 24.502 2.388 1.00 1.00 H new ATOM 0 HB3 PRO A 34 25.447 24.261 4.001 1.00 1.00 H new ATOM 0 HG2 PRO A 34 25.863 26.811 3.067 1.00 1.00 H new ATOM 0 HG3 PRO A 34 26.144 26.445 4.758 1.00 1.00 H new ATOM 0 HD2 PRO A 34 28.200 26.901 2.566 1.00 1.00 H new ATOM 0 HD3 PRO A 34 28.353 27.220 4.283 1.00 1.00 H new ATOM 221 N LYS A 35 27.622 21.711 3.329 1.00 1.00 N ATOM 222 CA LYS A 35 27.977 20.530 2.491 1.00 1.00 C ATOM 223 C LYS A 35 27.329 20.665 1.111 1.00 1.00 C ATOM 224 O LYS A 35 27.702 19.991 0.171 1.00 1.00 O ATOM 225 CB LYS A 35 27.469 19.254 3.167 1.00 1.00 C ATOM 226 CG LYS A 35 28.036 19.166 4.586 1.00 1.00 C ATOM 227 CD LYS A 35 29.550 18.953 4.519 1.00 1.00 C ATOM 228 CE LYS A 35 30.264 20.173 5.104 1.00 1.00 C ATOM 229 NZ LYS A 35 31.233 20.706 4.106 1.00 1.00 N ATOM 0 H LYS A 35 27.078 21.501 4.166 1.00 1.00 H new ATOM 0 HA LYS A 35 29.060 20.479 2.380 1.00 1.00 H new ATOM 0 HB2 LYS A 35 26.379 19.256 3.199 1.00 1.00 H new ATOM 0 HB3 LYS A 35 27.769 18.380 2.589 1.00 1.00 H new ATOM 0 HG2 LYS A 35 27.811 20.080 5.136 1.00 1.00 H new ATOM 0 HG3 LYS A 35 27.566 18.344 5.126 1.00 1.00 H new ATOM 0 HD2 LYS A 35 29.827 18.056 5.073 1.00 1.00 H new ATOM 0 HD3 LYS A 35 29.861 18.797 3.486 1.00 1.00 H new ATOM 0 HE2 LYS A 35 29.537 20.941 5.368 1.00 1.00 H new ATOM 0 HE3 LYS A 35 30.784 19.898 6.021 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 31.990 21.223 4.598 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 31.646 19.918 3.568 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 30.741 21.350 3.454 1.00 1.00 H new ATOM 230 N LYS A 36 26.360 21.528 0.981 1.00 1.00 N ATOM 231 CA LYS A 36 25.690 21.702 -0.338 1.00 1.00 C ATOM 232 C LYS A 36 26.463 22.723 -1.175 1.00 1.00 C ATOM 233 O LYS A 36 25.965 23.240 -2.156 1.00 1.00 O ATOM 234 CB LYS A 36 24.259 22.198 -0.122 1.00 1.00 C ATOM 235 CG LYS A 36 24.283 23.463 0.737 1.00 1.00 C ATOM 236 CD LYS A 36 23.484 24.568 0.043 1.00 1.00 C ATOM 237 CE LYS A 36 21.997 24.210 0.060 1.00 1.00 C ATOM 238 NZ LYS A 36 21.305 25.010 1.110 1.00 1.00 N ATOM 0 H LYS A 36 26.003 22.120 1.731 1.00 1.00 H new ATOM 0 HA LYS A 36 25.669 20.746 -0.862 1.00 1.00 H new ATOM 0 HB2 LYS A 36 23.786 22.406 -1.082 1.00 1.00 H new ATOM 0 HB3 LYS A 36 23.664 21.425 0.366 1.00 1.00 H new ATOM 0 HG2 LYS A 36 23.859 23.256 1.720 1.00 1.00 H new ATOM 0 HG3 LYS A 36 25.311 23.788 0.895 1.00 1.00 H new ATOM 0 HD2 LYS A 36 23.645 25.520 0.548 1.00 1.00 H new ATOM 0 HD3 LYS A 36 23.828 24.690 -0.984 1.00 1.00 H new ATOM 0 HE2 LYS A 36 21.553 24.409 -0.915 1.00 1.00 H new ATOM 0 HE3 LYS A 36 21.871 23.145 0.257 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 20.294 24.767 1.122 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 21.723 24.799 2.039 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 21.415 26.023 0.903 1.00 1.00 H new ATOM 239 N PHE A 37 27.676 23.019 -0.797 1.00 1.00 N ATOM 240 CA PHE A 37 28.476 24.007 -1.574 1.00 1.00 C ATOM 241 C PHE A 37 29.832 23.400 -1.934 1.00 1.00 C ATOM 242 O PHE A 37 30.454 22.724 -1.139 1.00 1.00 O ATOM 243 CB PHE A 37 28.687 25.268 -0.734 1.00 1.00 C ATOM 244 CG PHE A 37 27.410 26.073 -0.712 1.00 1.00 C ATOM 245 CD1 PHE A 37 26.906 26.615 -1.902 1.00 1.00 C ATOM 246 CD2 PHE A 37 26.727 26.276 0.494 1.00 1.00 C ATOM 247 CE1 PHE A 37 25.720 27.360 -1.886 1.00 1.00 C ATOM 248 CE2 PHE A 37 25.540 27.022 0.510 1.00 1.00 C ATOM 249 CZ PHE A 37 25.037 27.564 -0.680 1.00 1.00 C ATOM 0 H PHE A 37 28.147 22.620 0.015 1.00 1.00 H new ATOM 0 HA PHE A 37 27.942 24.265 -2.488 1.00 1.00 H new ATOM 0 HB2 PHE A 37 28.978 24.998 0.281 1.00 1.00 H new ATOM 0 HB3 PHE A 37 29.499 25.864 -1.150 1.00 1.00 H new ATOM 0 HD1 PHE A 37 27.432 26.458 -2.832 1.00 1.00 H new ATOM 0 HD2 PHE A 37 27.115 25.858 1.411 1.00 1.00 H new ATOM 0 HE1 PHE A 37 25.332 27.777 -2.804 1.00 1.00 H new ATOM 0 HE2 PHE A 37 25.013 27.179 1.440 1.00 1.00 H new ATOM 0 HZ PHE A 37 24.123 28.139 -0.668 1.00 1.00 H new ATOM 250 N GLY A 38 30.295 23.639 -3.130 1.00 1.00 N ATOM 251 CA GLY A 38 31.611 23.080 -3.550 1.00 1.00 C ATOM 252 C GLY A 38 32.112 23.838 -4.779 1.00 1.00 C ATOM 253 O GLY A 38 31.494 24.781 -5.229 1.00 1.00 O ATOM 0 H GLY A 38 29.817 24.199 -3.836 1.00 1.00 H new ATOM 0 HA2 GLY A 38 32.332 23.166 -2.737 1.00 1.00 H new ATOM 0 HA3 GLY A 38 31.512 22.019 -3.778 1.00 1.00 H new ATOM 254 N GLY A 39 33.226 23.437 -5.326 1.00 1.00 N ATOM 255 CA GLY A 39 33.760 24.140 -6.526 1.00 1.00 C ATOM 256 C GLY A 39 34.836 25.136 -6.104 1.00 1.00 C ATOM 257 O GLY A 39 34.538 26.186 -5.577 1.00 1.00 O ATOM 0 H GLY A 39 33.789 22.654 -4.994 1.00 1.00 H new ATOM 0 HA2 GLY A 39 34.176 23.417 -7.228 1.00 1.00 H new ATOM 0 HA3 GLY A 39 32.954 24.659 -7.044 1.00 1.00 H new ATOM 258 N GLN A 40 36.082 24.802 -6.344 1.00 1.00 N ATOM 259 CA GLN A 40 37.219 25.706 -5.978 1.00 1.00 C ATOM 260 C GLN A 40 36.904 26.486 -4.699 1.00 1.00 C ATOM 261 O GLN A 40 37.237 26.069 -3.607 1.00 1.00 O ATOM 262 CB GLN A 40 37.494 26.693 -7.121 1.00 1.00 C ATOM 263 CG GLN A 40 36.218 26.933 -7.935 1.00 1.00 C ATOM 264 CD GLN A 40 35.950 25.726 -8.836 1.00 1.00 C ATOM 265 OE1 GLN A 40 36.866 25.150 -9.389 1.00 1.00 O ATOM 266 NE2 GLN A 40 34.723 25.316 -9.009 1.00 1.00 N ATOM 0 H GLN A 40 36.363 23.927 -6.785 1.00 1.00 H new ATOM 0 HA GLN A 40 38.101 25.089 -5.806 1.00 1.00 H new ATOM 0 HB2 GLN A 40 37.858 27.637 -6.716 1.00 1.00 H new ATOM 0 HB3 GLN A 40 38.278 26.301 -7.769 1.00 1.00 H new ATOM 0 HG2 GLN A 40 35.373 27.095 -7.266 1.00 1.00 H new ATOM 0 HG3 GLN A 40 36.324 27.834 -8.539 1.00 1.00 H new ATOM 0 HE21 GLN A 40 33.954 25.799 -8.545 1.00 1.00 H new ATOM 0 HE22 GLN A 40 34.533 24.513 -9.608 1.00 1.00 H new ATOM 267 N HIS A 41 36.267 27.616 -4.827 1.00 1.00 N ATOM 268 CA HIS A 41 35.931 28.424 -3.623 1.00 1.00 C ATOM 269 C HIS A 41 34.489 28.135 -3.210 1.00 1.00 C ATOM 270 O HIS A 41 33.703 29.035 -2.996 1.00 1.00 O ATOM 271 CB HIS A 41 36.082 29.912 -3.947 1.00 1.00 C ATOM 272 CG HIS A 41 37.541 30.253 -4.068 1.00 1.00 C ATOM 273 ND1 HIS A 41 38.448 29.410 -4.691 1.00 1.00 N ATOM 274 CD2 HIS A 41 38.266 31.341 -3.651 1.00 1.00 C ATOM 275 CE1 HIS A 41 39.656 30.000 -4.632 1.00 1.00 C ATOM 276 NE2 HIS A 41 39.602 31.180 -4.009 1.00 1.00 N ATOM 0 H HIS A 41 35.964 28.015 -5.715 1.00 1.00 H new ATOM 0 HA HIS A 41 36.605 28.163 -2.807 1.00 1.00 H new ATOM 0 HB2 HIS A 41 35.564 30.147 -4.877 1.00 1.00 H new ATOM 0 HB3 HIS A 41 35.621 30.514 -3.164 1.00 1.00 H new ATOM 0 HD2 HIS A 41 37.862 32.193 -3.125 1.00 1.00 H new ATOM 0 HE1 HIS A 41 40.560 29.571 -5.039 1.00 1.00 H new ATOM 0 HE2 HIS A 41 40.373 31.824 -3.833 1.00 1.00 H new ATOM 277 N CYS A 42 34.138 26.884 -3.103 1.00 1.00 N ATOM 278 CA CYS A 42 32.748 26.528 -2.709 1.00 1.00 C ATOM 279 C CYS A 42 31.761 27.432 -3.450 1.00 1.00 C ATOM 280 O CYS A 42 31.046 28.210 -2.849 1.00 1.00 O ATOM 281 CB CYS A 42 32.577 26.712 -1.199 1.00 1.00 C ATOM 282 SG CYS A 42 31.647 25.314 -0.522 1.00 1.00 S ATOM 0 H CYS A 42 34.757 26.091 -3.272 1.00 1.00 H new ATOM 0 HA CYS A 42 32.554 25.487 -2.969 1.00 1.00 H new ATOM 0 HB2 CYS A 42 33.552 26.781 -0.718 1.00 1.00 H new ATOM 0 HB3 CYS A 42 32.053 27.645 -0.993 1.00 1.00 H new ATOM 283 N GLU A 43 31.722 27.337 -4.751 1.00 1.00 N ATOM 284 CA GLU A 43 30.783 28.190 -5.533 1.00 1.00 C ATOM 285 C GLU A 43 29.872 27.300 -6.381 1.00 1.00 C ATOM 286 O GLU A 43 29.536 27.628 -7.502 1.00 1.00 O ATOM 287 CB GLU A 43 31.580 29.122 -6.448 1.00 1.00 C ATOM 288 CG GLU A 43 32.261 28.302 -7.546 1.00 1.00 C ATOM 289 CD GLU A 43 31.603 28.604 -8.893 1.00 1.00 C ATOM 290 OE1 GLU A 43 31.786 29.706 -9.385 1.00 1.00 O ATOM 291 OE2 GLU A 43 30.927 27.730 -9.410 1.00 1.00 O ATOM 0 H GLU A 43 32.300 26.706 -5.306 1.00 1.00 H new ATOM 0 HA GLU A 43 30.177 28.784 -4.849 1.00 1.00 H new ATOM 0 HB2 GLU A 43 30.918 29.865 -6.892 1.00 1.00 H new ATOM 0 HB3 GLU A 43 32.327 29.665 -5.869 1.00 1.00 H new ATOM 0 HG2 GLU A 43 33.324 28.541 -7.587 1.00 1.00 H new ATOM 0 HG3 GLU A 43 32.182 27.238 -7.322 1.00 1.00 H new ATOM 292 N ILE A 44 29.468 26.175 -5.856 1.00 1.00 N ATOM 293 CA ILE A 44 28.578 25.267 -6.634 1.00 1.00 C ATOM 294 C ILE A 44 27.531 24.655 -5.701 1.00 1.00 C ATOM 295 O ILE A 44 27.856 24.023 -4.717 1.00 1.00 O ATOM 296 CB ILE A 44 29.412 24.149 -7.264 1.00 1.00 C ATOM 297 CG1 ILE A 44 30.636 24.752 -7.956 1.00 1.00 C ATOM 298 CG2 ILE A 44 28.564 23.399 -8.293 1.00 1.00 C ATOM 299 CD1 ILE A 44 31.500 23.630 -8.534 1.00 1.00 C ATOM 0 H ILE A 44 29.716 25.846 -4.923 1.00 1.00 H new ATOM 0 HA ILE A 44 28.079 25.835 -7.419 1.00 1.00 H new ATOM 0 HB ILE A 44 29.738 23.458 -6.487 1.00 1.00 H new ATOM 0 HG12 ILE A 44 30.321 25.429 -8.750 1.00 1.00 H new ATOM 0 HG13 ILE A 44 31.215 25.342 -7.245 1.00 1.00 H new ATOM 0 HG21 ILE A 44 29.157 22.603 -8.742 1.00 1.00 H new ATOM 0 HG22 ILE A 44 27.692 22.969 -7.801 1.00 1.00 H new ATOM 0 HG23 ILE A 44 28.238 24.091 -9.070 1.00 1.00 H new ATOM 0 HD11 ILE A 44 32.372 24.060 -9.027 1.00 1.00 H new ATOM 0 HD12 ILE A 44 31.826 22.971 -7.730 1.00 1.00 H new ATOM 0 HD13 ILE A 44 30.918 23.059 -9.258 1.00 1.00 H new ATOM 300 N ASP A 45 26.274 24.838 -6.003 1.00 1.00 N ATOM 301 CA ASP A 45 25.209 24.266 -5.133 1.00 1.00 C ATOM 302 C ASP A 45 24.971 22.803 -5.513 1.00 1.00 C ATOM 303 O ASP A 45 24.142 22.494 -6.345 1.00 1.00 O ATOM 304 CB ASP A 45 23.914 25.059 -5.324 1.00 1.00 C ATOM 305 CG ASP A 45 23.613 25.196 -6.817 1.00 1.00 C ATOM 306 OD1 ASP A 45 24.129 26.121 -7.423 1.00 1.00 O ATOM 307 OD2 ASP A 45 22.872 24.374 -7.330 1.00 1.00 O ATOM 0 H ASP A 45 25.940 25.359 -6.814 1.00 1.00 H new ATOM 0 HA ASP A 45 25.521 24.325 -4.090 1.00 1.00 H new ATOM 0 HB2 ASP A 45 23.089 24.554 -4.821 1.00 1.00 H new ATOM 0 HB3 ASP A 45 24.009 26.045 -4.870 1.00 1.00 H new ATOM 308 N LYS A 46 25.693 21.899 -4.909 1.00 1.00 N ATOM 309 CA LYS A 46 25.507 20.457 -5.236 1.00 1.00 C ATOM 310 C LYS A 46 24.012 20.136 -5.300 1.00 1.00 C ATOM 311 O LYS A 46 23.437 20.024 -6.364 1.00 1.00 O ATOM 312 CB LYS A 46 26.167 19.599 -4.154 1.00 1.00 C ATOM 313 CG LYS A 46 27.688 19.671 -4.300 1.00 1.00 C ATOM 314 CD LYS A 46 28.349 19.012 -3.088 1.00 1.00 C ATOM 315 CE LYS A 46 29.770 19.552 -2.924 1.00 1.00 C ATOM 316 NZ LYS A 46 30.735 18.416 -2.907 1.00 1.00 N ATOM 0 H LYS A 46 26.403 22.096 -4.204 1.00 1.00 H new ATOM 0 HA LYS A 46 25.966 20.242 -6.201 1.00 1.00 H new ATOM 0 HB2 LYS A 46 25.869 19.949 -3.166 1.00 1.00 H new ATOM 0 HB3 LYS A 46 25.832 18.565 -4.240 1.00 1.00 H new ATOM 0 HG2 LYS A 46 28.000 19.169 -5.216 1.00 1.00 H new ATOM 0 HG3 LYS A 46 28.007 20.710 -4.382 1.00 1.00 H new ATOM 0 HD2 LYS A 46 27.766 19.213 -2.189 1.00 1.00 H new ATOM 0 HD3 LYS A 46 28.373 17.930 -3.217 1.00 1.00 H new ATOM 0 HE2 LYS A 46 30.008 20.233 -3.741 1.00 1.00 H new ATOM 0 HE3 LYS A 46 29.849 20.124 -1.999 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 31.702 18.783 -2.795 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 30.512 17.783 -2.113 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 30.666 17.889 -3.801 1.00 1.00 H new ATOM 317 N SER A 47 23.379 19.987 -4.169 1.00 1.00 N ATOM 318 CA SER A 47 21.922 19.673 -4.166 1.00 1.00 C ATOM 319 C SER A 47 21.703 18.267 -4.727 1.00 1.00 C ATOM 320 O SER A 47 20.592 17.870 -5.018 1.00 1.00 O ATOM 321 CB SER A 47 21.180 20.690 -5.034 1.00 1.00 C ATOM 322 OG SER A 47 19.986 21.088 -4.372 1.00 1.00 O ATOM 0 H SER A 47 23.807 20.069 -3.247 1.00 1.00 H new ATOM 0 HA SER A 47 21.542 19.720 -3.146 1.00 1.00 H new ATOM 0 HB2 SER A 47 21.813 21.558 -5.220 1.00 1.00 H new ATOM 0 HB3 SER A 47 20.944 20.254 -6.005 1.00 1.00 H new ATOM 0 HG SER A 47 19.508 21.741 -4.924 1.00 1.00 H new ATOM 323 N LYS A 48 22.754 17.509 -4.881 1.00 1.00 N ATOM 324 CA LYS A 48 22.605 16.129 -5.423 1.00 1.00 C ATOM 325 C LYS A 48 23.805 15.281 -4.996 1.00 1.00 C ATOM 326 O LYS A 48 24.657 14.948 -5.795 1.00 1.00 O ATOM 327 CB LYS A 48 22.537 16.185 -6.951 1.00 1.00 C ATOM 328 CG LYS A 48 22.336 14.774 -7.505 1.00 1.00 C ATOM 329 CD LYS A 48 20.886 14.340 -7.285 1.00 1.00 C ATOM 330 CE LYS A 48 20.806 13.426 -6.061 1.00 1.00 C ATOM 331 NZ LYS A 48 19.755 12.392 -6.281 1.00 1.00 N ATOM 0 H LYS A 48 23.709 17.786 -4.655 1.00 1.00 H new ATOM 0 HA LYS A 48 21.689 15.683 -5.035 1.00 1.00 H new ATOM 0 HB2 LYS A 48 21.717 16.831 -7.266 1.00 1.00 H new ATOM 0 HB3 LYS A 48 23.454 16.617 -7.351 1.00 1.00 H new ATOM 0 HG2 LYS A 48 22.576 14.752 -8.568 1.00 1.00 H new ATOM 0 HG3 LYS A 48 23.014 14.078 -7.011 1.00 1.00 H new ATOM 0 HD2 LYS A 48 20.252 15.215 -7.141 1.00 1.00 H new ATOM 0 HD3 LYS A 48 20.514 13.818 -8.167 1.00 1.00 H new ATOM 0 HE2 LYS A 48 21.770 12.949 -5.887 1.00 1.00 H new ATOM 0 HE3 LYS A 48 20.575 14.011 -5.171 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 19.700 11.770 -5.449 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 18.836 12.857 -6.427 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 19.994 11.827 -7.120 1.00 1.00 H new ATOM 332 N THR A 49 23.879 14.930 -3.741 1.00 1.00 N ATOM 333 CA THR A 49 25.024 14.104 -3.265 1.00 1.00 C ATOM 334 C THR A 49 24.500 12.950 -2.408 1.00 1.00 C ATOM 335 O THR A 49 24.277 11.857 -2.891 1.00 1.00 O ATOM 336 CB THR A 49 25.966 14.973 -2.428 1.00 1.00 C ATOM 337 OG1 THR A 49 25.294 16.166 -2.048 1.00 1.00 O ATOM 338 CG2 THR A 49 27.207 15.323 -3.250 1.00 1.00 C ATOM 0 H THR A 49 23.196 15.180 -3.025 1.00 1.00 H new ATOM 0 HA THR A 49 25.564 13.703 -4.123 1.00 1.00 H new ATOM 0 HB THR A 49 26.268 14.426 -1.535 1.00 1.00 H new ATOM 0 HG1 THR A 49 25.895 16.723 -1.510 1.00 1.00 H new ATOM 0 HG21 THR A 49 27.877 15.942 -2.653 1.00 1.00 H new ATOM 0 HG22 THR A 49 27.722 14.407 -3.540 1.00 1.00 H new ATOM 0 HG23 THR A 49 26.909 15.870 -4.144 1.00 1.00 H new ATOM 339 N CYS A 50 24.302 13.183 -1.140 1.00 1.00 N ATOM 340 CA CYS A 50 23.792 12.100 -0.253 1.00 1.00 C ATOM 341 C CYS A 50 23.099 12.719 0.962 1.00 1.00 C ATOM 342 O CYS A 50 23.391 13.830 1.356 1.00 1.00 O ATOM 343 CB CYS A 50 24.962 11.231 0.215 1.00 1.00 C ATOM 344 SG CYS A 50 26.305 11.326 -0.994 1.00 1.00 S ATOM 0 H CYS A 50 24.471 14.077 -0.679 1.00 1.00 H new ATOM 0 HA CYS A 50 23.080 11.485 -0.803 1.00 1.00 H new ATOM 0 HB2 CYS A 50 25.312 11.568 1.191 1.00 1.00 H new ATOM 0 HB3 CYS A 50 24.637 10.197 0.333 1.00 1.00 H new ATOM 345 N TYR A 51 22.182 12.008 1.560 1.00 1.00 N ATOM 346 CA TYR A 51 21.473 12.557 2.749 1.00 1.00 C ATOM 347 C TYR A 51 22.438 12.626 3.936 1.00 1.00 C ATOM 348 O TYR A 51 23.631 12.449 3.789 1.00 1.00 O ATOM 349 CB TYR A 51 20.277 11.657 3.094 1.00 1.00 C ATOM 350 CG TYR A 51 20.741 10.434 3.857 1.00 1.00 C ATOM 351 CD1 TYR A 51 21.997 9.870 3.592 1.00 1.00 C ATOM 352 CD2 TYR A 51 19.910 9.865 4.832 1.00 1.00 C ATOM 353 CE1 TYR A 51 22.420 8.738 4.302 1.00 1.00 C ATOM 354 CE2 TYR A 51 20.334 8.734 5.541 1.00 1.00 C ATOM 355 CZ TYR A 51 21.589 8.170 5.276 1.00 1.00 C ATOM 356 OH TYR A 51 22.006 7.056 5.975 1.00 1.00 O ATOM 0 H TYR A 51 21.894 11.072 1.276 1.00 1.00 H new ATOM 0 HA TYR A 51 21.111 13.561 2.527 1.00 1.00 H new ATOM 0 HB2 TYR A 51 19.555 12.214 3.691 1.00 1.00 H new ATOM 0 HB3 TYR A 51 19.767 11.352 2.180 1.00 1.00 H new ATOM 0 HD1 TYR A 51 22.638 10.308 2.841 1.00 1.00 H new ATOM 0 HD2 TYR A 51 18.942 10.299 5.037 1.00 1.00 H new ATOM 0 HE1 TYR A 51 23.387 8.303 4.098 1.00 1.00 H new ATOM 0 HE2 TYR A 51 19.693 8.296 6.292 1.00 1.00 H new ATOM 0 HH TYR A 51 21.311 6.791 6.613 1.00 1.00 H new ATOM 357 N GLU A 52 21.931 12.881 5.111 1.00 1.00 N ATOM 358 CA GLU A 52 22.819 12.960 6.305 1.00 1.00 C ATOM 359 C GLU A 52 21.973 12.867 7.576 1.00 1.00 C ATOM 360 O GLU A 52 21.541 13.863 8.120 1.00 1.00 O ATOM 361 CB GLU A 52 23.575 14.290 6.292 1.00 1.00 C ATOM 362 CG GLU A 52 24.995 14.076 6.820 1.00 1.00 C ATOM 363 CD GLU A 52 25.300 15.114 7.901 1.00 1.00 C ATOM 364 OE1 GLU A 52 24.447 15.328 8.747 1.00 1.00 O ATOM 365 OE2 GLU A 52 26.382 15.678 7.866 1.00 1.00 O ATOM 0 H GLU A 52 20.940 13.038 5.296 1.00 1.00 H new ATOM 0 HA GLU A 52 23.533 12.137 6.282 1.00 1.00 H new ATOM 0 HB2 GLU A 52 23.609 14.691 5.279 1.00 1.00 H new ATOM 0 HB3 GLU A 52 23.053 15.023 6.908 1.00 1.00 H new ATOM 0 HG2 GLU A 52 25.095 13.070 7.228 1.00 1.00 H new ATOM 0 HG3 GLU A 52 25.714 14.162 6.005 1.00 1.00 H new ATOM 366 N GLY A 53 21.731 11.676 8.052 1.00 1.00 N ATOM 367 CA GLY A 53 20.912 11.521 9.288 1.00 1.00 C ATOM 368 C GLY A 53 19.537 10.960 8.922 1.00 1.00 C ATOM 369 O GLY A 53 19.379 10.270 7.934 1.00 1.00 O ATOM 0 H GLY A 53 22.064 10.805 7.639 1.00 1.00 H new ATOM 0 HA2 GLY A 53 21.414 10.854 9.988 1.00 1.00 H new ATOM 0 HA3 GLY A 53 20.803 12.484 9.788 1.00 1.00 H new ATOM 370 N ASN A 54 18.538 11.251 9.711 1.00 1.00 N ATOM 371 CA ASN A 54 17.174 10.734 9.407 1.00 1.00 C ATOM 372 C ASN A 54 16.378 11.804 8.658 1.00 1.00 C ATOM 373 O ASN A 54 15.643 12.571 9.248 1.00 1.00 O ATOM 374 CB ASN A 54 16.458 10.385 10.714 1.00 1.00 C ATOM 375 CG ASN A 54 15.083 9.794 10.400 1.00 1.00 C ATOM 376 OD1 ASN A 54 14.867 9.263 9.329 1.00 1.00 O ATOM 377 ND2 ASN A 54 14.137 9.864 11.296 1.00 1.00 N ATOM 0 H ASN A 54 18.608 11.824 10.552 1.00 1.00 H new ATOM 0 HA ASN A 54 17.253 9.841 8.787 1.00 1.00 H new ATOM 0 HB2 ASN A 54 17.050 9.671 11.286 1.00 1.00 H new ATOM 0 HB3 ASN A 54 16.350 11.277 11.331 1.00 1.00 H new ATOM 0 HD21 ASN A 54 13.216 9.473 11.097 1.00 1.00 H new ATOM 0 HD22 ASN A 54 14.318 10.310 12.195 1.00 1.00 H new ATOM 378 N GLY A 55 16.517 11.862 7.361 1.00 1.00 N ATOM 379 CA GLY A 55 15.767 12.883 6.576 1.00 1.00 C ATOM 380 C GLY A 55 14.266 12.705 6.810 1.00 1.00 C ATOM 381 O GLY A 55 13.572 13.638 7.162 1.00 1.00 O ATOM 0 H GLY A 55 17.117 11.247 6.812 1.00 1.00 H new ATOM 0 HA2 GLY A 55 16.076 13.885 6.874 1.00 1.00 H new ATOM 0 HA3 GLY A 55 15.995 12.781 5.515 1.00 1.00 H new ATOM 382 N HIS A 56 13.766 11.511 6.617 1.00 1.00 N ATOM 383 CA HIS A 56 12.310 11.250 6.826 1.00 1.00 C ATOM 384 C HIS A 56 11.522 11.658 5.576 1.00 1.00 C ATOM 385 O HIS A 56 10.629 10.958 5.142 1.00 1.00 O ATOM 386 CB HIS A 56 11.805 12.044 8.033 1.00 1.00 C ATOM 387 CG HIS A 56 10.619 11.342 8.634 1.00 1.00 C ATOM 388 ND1 HIS A 56 9.904 11.568 9.785 1.00 1.00 N flip ATOM 389 CD2 HIS A 56 10.025 10.245 8.030 1.00 1.00 C flip ATOM 390 CE1 HIS A 56 8.884 10.629 9.894 1.00 1.00 C flip ATOM 391 NE2 HIS A 56 9.002 9.856 8.811 1.00 1.00 N flip ATOM 0 H HIS A 56 14.309 10.700 6.321 1.00 1.00 H new ATOM 0 HA HIS A 56 12.165 10.186 7.011 1.00 1.00 H new ATOM 0 HB2 HIS A 56 12.598 12.142 8.775 1.00 1.00 H new ATOM 0 HB3 HIS A 56 11.528 13.053 7.728 1.00 1.00 H new ATOM 0 HD1 HIS A 56 10.093 12.311 10.457 1.00 1.00 H new ATOM 0 HD2 HIS A 56 10.329 9.786 7.101 1.00 1.00 H new ATOM 0 HE1 HIS A 56 8.153 10.543 10.685 1.00 1.00 H new ATOM 392 N PHE A 57 11.840 12.783 4.994 1.00 1.00 N ATOM 393 CA PHE A 57 11.102 13.224 3.777 1.00 1.00 C ATOM 394 C PHE A 57 12.086 13.397 2.618 1.00 1.00 C ATOM 395 O PHE A 57 11.804 13.039 1.492 1.00 1.00 O ATOM 396 CB PHE A 57 10.404 14.557 4.057 1.00 1.00 C ATOM 397 CG PHE A 57 9.939 14.591 5.493 1.00 1.00 C ATOM 398 CD1 PHE A 57 8.860 13.795 5.899 1.00 1.00 C ATOM 399 CD2 PHE A 57 10.586 15.420 6.419 1.00 1.00 C ATOM 400 CE1 PHE A 57 8.428 13.828 7.232 1.00 1.00 C ATOM 401 CE2 PHE A 57 10.154 15.452 7.752 1.00 1.00 C ATOM 402 CZ PHE A 57 9.075 14.656 8.158 1.00 1.00 C ATOM 0 H PHE A 57 12.577 13.414 5.308 1.00 1.00 H new ATOM 0 HA PHE A 57 10.357 12.473 3.513 1.00 1.00 H new ATOM 0 HB2 PHE A 57 11.087 15.384 3.865 1.00 1.00 H new ATOM 0 HB3 PHE A 57 9.555 14.683 3.386 1.00 1.00 H new ATOM 0 HD1 PHE A 57 8.361 13.156 5.185 1.00 1.00 H new ATOM 0 HD2 PHE A 57 11.417 16.034 6.106 1.00 1.00 H new ATOM 0 HE1 PHE A 57 7.596 13.215 7.545 1.00 1.00 H new ATOM 0 HE2 PHE A 57 10.653 16.090 8.466 1.00 1.00 H new ATOM 0 HZ PHE A 57 8.742 14.681 9.185 1.00 1.00 H new ATOM 403 N TYR A 58 13.240 13.946 2.885 1.00 1.00 N ATOM 404 CA TYR A 58 14.240 14.142 1.798 1.00 1.00 C ATOM 405 C TYR A 58 15.115 12.892 1.678 1.00 1.00 C ATOM 406 O TYR A 58 15.746 12.471 2.627 1.00 1.00 O ATOM 407 CB TYR A 58 15.119 15.350 2.126 1.00 1.00 C ATOM 408 CG TYR A 58 16.265 15.421 1.146 1.00 1.00 C ATOM 409 CD1 TYR A 58 16.102 14.941 -0.161 1.00 1.00 C ATOM 410 CD2 TYR A 58 17.494 15.966 1.543 1.00 1.00 C ATOM 411 CE1 TYR A 58 17.166 15.007 -1.070 1.00 1.00 C ATOM 412 CE2 TYR A 58 18.558 16.032 0.634 1.00 1.00 C ATOM 413 CZ TYR A 58 18.394 15.552 -0.672 1.00 1.00 C ATOM 414 OH TYR A 58 19.443 15.617 -1.567 1.00 1.00 O ATOM 0 H TYR A 58 13.533 14.267 3.808 1.00 1.00 H new ATOM 0 HA TYR A 58 13.722 14.315 0.855 1.00 1.00 H new ATOM 0 HB2 TYR A 58 14.529 16.265 2.079 1.00 1.00 H new ATOM 0 HB3 TYR A 58 15.501 15.269 3.144 1.00 1.00 H new ATOM 0 HD1 TYR A 58 15.156 14.520 -0.467 1.00 1.00 H new ATOM 0 HD2 TYR A 58 17.621 16.335 2.550 1.00 1.00 H new ATOM 0 HE1 TYR A 58 17.040 14.638 -2.077 1.00 1.00 H new ATOM 0 HE2 TYR A 58 19.504 16.453 0.940 1.00 1.00 H new ATOM 0 HH TYR A 58 20.221 16.023 -1.131 1.00 1.00 H new ATOM 415 N ARG A 59 15.156 12.295 0.518 1.00 1.00 N ATOM 416 CA ARG A 59 15.990 11.072 0.340 1.00 1.00 C ATOM 417 C ARG A 59 16.408 10.948 -1.127 1.00 1.00 C ATOM 418 O ARG A 59 17.568 11.073 -1.464 1.00 1.00 O ATOM 419 CB ARG A 59 15.180 9.839 0.745 1.00 1.00 C ATOM 420 CG ARG A 59 15.234 9.669 2.265 1.00 1.00 C ATOM 421 CD ARG A 59 13.859 9.975 2.862 1.00 1.00 C ATOM 422 NE ARG A 59 13.053 8.723 2.921 1.00 1.00 N ATOM 423 CZ ARG A 59 11.763 8.768 2.729 1.00 1.00 C ATOM 424 NH1 ARG A 59 11.283 8.755 1.515 1.00 1.00 N ATOM 425 NH2 ARG A 59 10.953 8.825 3.750 1.00 1.00 N ATOM 0 H ARG A 59 14.649 12.600 -0.313 1.00 1.00 H new ATOM 0 HA ARG A 59 16.879 11.145 0.966 1.00 1.00 H new ATOM 0 HB2 ARG A 59 14.146 9.946 0.417 1.00 1.00 H new ATOM 0 HB3 ARG A 59 15.580 8.951 0.255 1.00 1.00 H new ATOM 0 HG2 ARG A 59 15.534 8.652 2.517 1.00 1.00 H new ATOM 0 HG3 ARG A 59 15.983 10.337 2.690 1.00 1.00 H new ATOM 0 HD2 ARG A 59 13.970 10.396 3.861 1.00 1.00 H new ATOM 0 HD3 ARG A 59 13.346 10.722 2.257 1.00 1.00 H new ATOM 0 HE ARG A 59 13.510 7.831 3.111 1.00 1.00 H new ATOM 0 HH11 ARG A 59 11.916 8.710 0.717 1.00 1.00 H new ATOM 0 HH12 ARG A 59 10.275 8.790 1.365 1.00 1.00 H new ATOM 0 HH21 ARG A 59 11.328 8.834 4.699 1.00 1.00 H new ATOM 0 HH22 ARG A 59 9.945 8.860 3.600 1.00 1.00 H new ATOM 426 N GLY A 60 15.471 10.703 -2.003 1.00 1.00 N ATOM 427 CA GLY A 60 15.816 10.571 -3.447 1.00 1.00 C ATOM 428 C GLY A 60 15.048 9.395 -4.052 1.00 1.00 C ATOM 429 O GLY A 60 13.915 9.134 -3.700 1.00 1.00 O ATOM 0 H GLY A 60 14.482 10.589 -1.781 1.00 1.00 H new ATOM 0 HA2 GLY A 60 15.568 11.491 -3.976 1.00 1.00 H new ATOM 0 HA3 GLY A 60 16.889 10.416 -3.562 1.00 1.00 H new ATOM 430 N LYS A 61 15.656 8.681 -4.959 1.00 1.00 N ATOM 431 CA LYS A 61 14.960 7.522 -5.585 1.00 1.00 C ATOM 432 C LYS A 61 15.374 6.233 -4.871 1.00 1.00 C ATOM 433 O LYS A 61 14.650 5.257 -4.862 1.00 1.00 O ATOM 434 CB LYS A 61 15.343 7.434 -7.065 1.00 1.00 C ATOM 435 CG LYS A 61 16.787 6.944 -7.192 1.00 1.00 C ATOM 436 CD LYS A 61 17.285 7.189 -8.617 1.00 1.00 C ATOM 437 CE LYS A 61 16.479 6.332 -9.595 1.00 1.00 C ATOM 438 NZ LYS A 61 17.033 4.949 -9.616 1.00 1.00 N ATOM 0 H LYS A 61 16.605 8.850 -5.294 1.00 1.00 H new ATOM 0 HA LYS A 61 13.882 7.655 -5.498 1.00 1.00 H new ATOM 0 HB2 LYS A 61 14.670 6.753 -7.586 1.00 1.00 H new ATOM 0 HB3 LYS A 61 15.237 8.410 -7.538 1.00 1.00 H new ATOM 0 HG2 LYS A 61 17.424 7.466 -6.478 1.00 1.00 H new ATOM 0 HG3 LYS A 61 16.844 5.882 -6.953 1.00 1.00 H new ATOM 0 HD2 LYS A 61 17.183 8.244 -8.873 1.00 1.00 H new ATOM 0 HD3 LYS A 61 18.345 6.944 -8.690 1.00 1.00 H new ATOM 0 HE2 LYS A 61 15.430 6.311 -9.298 1.00 1.00 H new ATOM 0 HE3 LYS A 61 16.519 6.766 -10.594 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 16.486 4.366 -10.281 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 18.028 4.978 -9.919 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 16.973 4.537 -8.663 1.00 1.00 H new ATOM 439 N ALA A 62 16.534 6.222 -4.272 1.00 1.00 N ATOM 440 CA ALA A 62 16.992 4.996 -3.559 1.00 1.00 C ATOM 441 C ALA A 62 15.835 4.426 -2.736 1.00 1.00 C ATOM 442 O ALA A 62 15.512 4.923 -1.675 1.00 1.00 O ATOM 443 CB ALA A 62 18.154 5.352 -2.629 1.00 1.00 C ATOM 0 H ALA A 62 17.183 7.008 -4.246 1.00 1.00 H new ATOM 0 HA ALA A 62 17.323 4.253 -4.285 1.00 1.00 H new ATOM 0 HB1 ALA A 62 18.490 4.456 -2.107 1.00 1.00 H new ATOM 0 HB2 ALA A 62 18.977 5.760 -3.215 1.00 1.00 H new ATOM 0 HB3 ALA A 62 17.824 6.093 -1.902 1.00 1.00 H new ATOM 444 N SER A 63 15.207 3.388 -3.217 1.00 1.00 N ATOM 445 CA SER A 63 14.069 2.791 -2.462 1.00 1.00 C ATOM 446 C SER A 63 14.362 1.319 -2.168 1.00 1.00 C ATOM 447 O SER A 63 13.528 0.603 -1.651 1.00 1.00 O ATOM 448 CB SER A 63 12.795 2.895 -3.299 1.00 1.00 C ATOM 449 OG SER A 63 13.145 3.033 -4.670 1.00 1.00 O ATOM 0 H SER A 63 15.432 2.928 -4.099 1.00 1.00 H new ATOM 0 HA SER A 63 13.937 3.329 -1.523 1.00 1.00 H new ATOM 0 HB2 SER A 63 12.179 2.007 -3.156 1.00 1.00 H new ATOM 0 HB3 SER A 63 12.202 3.750 -2.975 1.00 1.00 H new ATOM 0 HG SER A 63 13.407 3.960 -4.849 1.00 1.00 H new ATOM 450 N THR A 64 15.538 0.858 -2.494 1.00 1.00 N ATOM 451 CA THR A 64 15.871 -0.570 -2.231 1.00 1.00 C ATOM 452 C THR A 64 16.219 -0.752 -0.753 1.00 1.00 C ATOM 453 O THR A 64 16.049 0.141 0.053 1.00 1.00 O ATOM 454 CB THR A 64 17.074 -0.989 -3.082 1.00 1.00 C ATOM 455 OG1 THR A 64 18.176 -0.137 -2.799 1.00 1.00 O ATOM 456 CG2 THR A 64 16.721 -0.893 -4.566 1.00 1.00 C ATOM 0 H THR A 64 16.280 1.406 -2.929 1.00 1.00 H new ATOM 0 HA THR A 64 15.010 -1.188 -2.487 1.00 1.00 H new ATOM 0 HB THR A 64 17.339 -2.019 -2.844 1.00 1.00 H new ATOM 0 HG1 THR A 64 18.946 -0.406 -3.342 1.00 1.00 H new ATOM 0 HG21 THR A 64 17.581 -1.192 -5.165 1.00 1.00 H new ATOM 0 HG22 THR A 64 15.880 -1.552 -4.783 1.00 1.00 H new ATOM 0 HG23 THR A 64 16.449 0.134 -4.810 1.00 1.00 H new ATOM 457 N ASP A 65 16.716 -1.903 -0.398 1.00 1.00 N ATOM 458 CA ASP A 65 17.093 -2.156 1.025 1.00 1.00 C ATOM 459 C ASP A 65 18.615 -2.005 1.169 1.00 1.00 C ATOM 460 O ASP A 65 19.255 -1.365 0.358 1.00 1.00 O ATOM 461 CB ASP A 65 16.651 -3.569 1.441 1.00 1.00 C ATOM 462 CG ASP A 65 16.461 -4.455 0.208 1.00 1.00 C ATOM 463 OD1 ASP A 65 15.467 -4.279 -0.477 1.00 1.00 O ATOM 464 OD2 ASP A 65 17.317 -5.290 -0.033 1.00 1.00 O ATOM 0 H ASP A 65 16.879 -2.684 -1.033 1.00 1.00 H new ATOM 0 HA ASP A 65 16.595 -1.437 1.675 1.00 1.00 H new ATOM 0 HB2 ASP A 65 17.397 -4.010 2.102 1.00 1.00 H new ATOM 0 HB3 ASP A 65 15.719 -3.514 2.004 1.00 1.00 H new ATOM 465 N THR A 66 19.209 -2.586 2.182 1.00 1.00 N ATOM 466 CA THR A 66 20.683 -2.465 2.349 1.00 1.00 C ATOM 467 C THR A 66 21.379 -3.516 1.485 1.00 1.00 C ATOM 468 O THR A 66 22.547 -3.803 1.661 1.00 1.00 O ATOM 469 CB THR A 66 21.051 -2.695 3.817 1.00 1.00 C ATOM 470 OG1 THR A 66 20.474 -3.915 4.261 1.00 1.00 O ATOM 471 CG2 THR A 66 20.523 -1.540 4.667 1.00 1.00 C ATOM 0 H THR A 66 18.735 -3.137 2.897 1.00 1.00 H new ATOM 0 HA THR A 66 21.002 -1.468 2.044 1.00 1.00 H new ATOM 0 HB THR A 66 22.135 -2.747 3.916 1.00 1.00 H new ATOM 0 HG1 THR A 66 20.710 -4.066 5.200 1.00 1.00 H new ATOM 0 HG21 THR A 66 20.787 -1.707 5.711 1.00 1.00 H new ATOM 0 HG22 THR A 66 20.967 -0.605 4.326 1.00 1.00 H new ATOM 0 HG23 THR A 66 19.439 -1.484 4.571 1.00 1.00 H new ATOM 472 N MET A 67 20.677 -4.089 0.546 1.00 1.00 N ATOM 473 CA MET A 67 21.301 -5.110 -0.329 1.00 1.00 C ATOM 474 C MET A 67 21.144 -4.658 -1.777 1.00 1.00 C ATOM 475 O MET A 67 22.031 -4.811 -2.593 1.00 1.00 O ATOM 476 CB MET A 67 20.604 -6.458 -0.131 1.00 1.00 C ATOM 477 CG MET A 67 21.225 -7.184 1.064 1.00 1.00 C ATOM 478 SD MET A 67 19.912 -7.739 2.179 1.00 1.00 S ATOM 479 CE MET A 67 19.816 -6.236 3.182 1.00 1.00 C ATOM 0 H MET A 67 19.696 -3.891 0.350 1.00 1.00 H new ATOM 0 HA MET A 67 22.357 -5.222 -0.081 1.00 1.00 H new ATOM 0 HB2 MET A 67 19.538 -6.307 0.036 1.00 1.00 H new ATOM 0 HB3 MET A 67 20.703 -7.066 -1.030 1.00 1.00 H new ATOM 0 HG2 MET A 67 21.811 -8.037 0.721 1.00 1.00 H new ATOM 0 HG3 MET A 67 21.909 -6.519 1.592 1.00 1.00 H new ATOM 0 HE1 MET A 67 19.052 -6.359 3.950 1.00 1.00 H new ATOM 0 HE2 MET A 67 20.780 -6.052 3.656 1.00 1.00 H new ATOM 0 HE3 MET A 67 19.557 -5.390 2.546 1.00 1.00 H new ATOM 480 N GLY A 68 20.017 -4.085 -2.091 1.00 1.00 N ATOM 481 CA GLY A 68 19.782 -3.598 -3.475 1.00 1.00 C ATOM 482 C GLY A 68 18.399 -4.041 -3.950 1.00 1.00 C ATOM 483 O GLY A 68 17.959 -3.682 -5.024 1.00 1.00 O ATOM 0 H GLY A 68 19.244 -3.933 -1.443 1.00 1.00 H new ATOM 0 HA2 GLY A 68 19.857 -2.511 -3.506 1.00 1.00 H new ATOM 0 HA3 GLY A 68 20.549 -3.989 -4.143 1.00 1.00 H new ATOM 484 N ARG A 69 17.705 -4.812 -3.159 1.00 1.00 N ATOM 485 CA ARG A 69 16.348 -5.261 -3.576 1.00 1.00 C ATOM 486 C ARG A 69 15.384 -4.081 -3.465 1.00 1.00 C ATOM 487 O ARG A 69 15.609 -3.176 -2.688 1.00 1.00 O ATOM 488 CB ARG A 69 15.861 -6.390 -2.663 1.00 1.00 C ATOM 489 CG ARG A 69 16.977 -7.411 -2.447 1.00 1.00 C ATOM 490 CD ARG A 69 16.797 -8.067 -1.078 1.00 1.00 C ATOM 491 NE ARG A 69 17.865 -9.085 -0.869 1.00 1.00 N ATOM 492 CZ ARG A 69 17.574 -10.234 -0.323 1.00 1.00 C ATOM 493 NH1 ARG A 69 16.752 -10.286 0.689 1.00 1.00 N ATOM 494 NH2 ARG A 69 18.106 -11.330 -0.790 1.00 1.00 N ATOM 0 H ARG A 69 18.017 -5.148 -2.248 1.00 1.00 H new ATOM 0 HA ARG A 69 16.389 -5.625 -4.603 1.00 1.00 H new ATOM 0 HB2 ARG A 69 15.542 -5.981 -1.705 1.00 1.00 H new ATOM 0 HB3 ARG A 69 14.993 -6.877 -3.106 1.00 1.00 H new ATOM 0 HG2 ARG A 69 16.952 -8.167 -3.232 1.00 1.00 H new ATOM 0 HG3 ARG A 69 17.950 -6.923 -2.505 1.00 1.00 H new ATOM 0 HD2 ARG A 69 16.841 -7.312 -0.293 1.00 1.00 H new ATOM 0 HD3 ARG A 69 15.815 -8.536 -1.014 1.00 1.00 H new ATOM 0 HE ARG A 69 18.824 -8.884 -1.153 1.00 1.00 H new ATOM 0 HH11 ARG A 69 16.337 -9.429 1.053 1.00 1.00 H new ATOM 0 HH12 ARG A 69 16.525 -11.184 1.116 1.00 1.00 H new ATOM 0 HH21 ARG A 69 18.749 -11.288 -1.581 1.00 1.00 H new ATOM 0 HH22 ARG A 69 17.879 -12.229 -0.364 1.00 1.00 H new ATOM 495 N PRO A 70 14.332 -4.127 -4.240 1.00 1.00 N ATOM 496 CA PRO A 70 13.327 -3.076 -4.234 1.00 1.00 C ATOM 497 C PRO A 70 12.460 -3.173 -2.973 1.00 1.00 C ATOM 498 O PRO A 70 11.505 -2.440 -2.810 1.00 1.00 O ATOM 499 CB PRO A 70 12.492 -3.345 -5.478 1.00 1.00 C ATOM 500 CG PRO A 70 12.662 -4.881 -5.706 1.00 1.00 C ATOM 501 CD PRO A 70 14.081 -5.234 -5.176 1.00 1.00 C ATOM 0 HA PRO A 70 13.765 -2.078 -4.235 1.00 1.00 H new ATOM 0 HB2 PRO A 70 11.447 -3.075 -5.326 1.00 1.00 H new ATOM 0 HB3 PRO A 70 12.849 -2.770 -6.333 1.00 1.00 H new ATOM 0 HG2 PRO A 70 11.895 -5.443 -5.173 1.00 1.00 H new ATOM 0 HG3 PRO A 70 12.565 -5.133 -6.762 1.00 1.00 H new ATOM 0 HD2 PRO A 70 14.103 -6.204 -4.679 1.00 1.00 H new ATOM 0 HD3 PRO A 70 14.820 -5.269 -5.976 1.00 1.00 H new ATOM 502 N CYS A 71 12.782 -4.072 -2.080 1.00 1.00 N ATOM 503 CA CYS A 71 11.971 -4.210 -0.840 1.00 1.00 C ATOM 504 C CYS A 71 10.565 -4.690 -1.206 1.00 1.00 C ATOM 505 O CYS A 71 10.218 -4.790 -2.366 1.00 1.00 O ATOM 506 CB CYS A 71 11.879 -2.855 -0.138 1.00 1.00 C ATOM 507 SG CYS A 71 11.399 -3.102 1.588 1.00 1.00 S ATOM 0 H CYS A 71 13.570 -4.714 -2.158 1.00 1.00 H new ATOM 0 HA CYS A 71 12.442 -4.933 -0.174 1.00 1.00 H new ATOM 0 HB2 CYS A 71 12.839 -2.341 -0.190 1.00 1.00 H new ATOM 0 HB3 CYS A 71 11.150 -2.221 -0.642 1.00 1.00 H new ATOM 508 N LEU A 72 9.749 -4.984 -0.230 1.00 1.00 N ATOM 509 CA LEU A 72 8.368 -5.451 -0.538 1.00 1.00 C ATOM 510 C LEU A 72 7.432 -4.242 -0.621 1.00 1.00 C ATOM 511 O LEU A 72 7.263 -3.534 0.352 1.00 1.00 O ATOM 512 CB LEU A 72 7.878 -6.376 0.576 1.00 1.00 C ATOM 513 CG LEU A 72 8.838 -7.552 0.733 1.00 1.00 C ATOM 514 CD1 LEU A 72 8.863 -7.990 2.197 1.00 1.00 C ATOM 515 CD2 LEU A 72 8.362 -8.716 -0.140 1.00 1.00 C ATOM 0 H LEU A 72 9.978 -4.921 0.762 1.00 1.00 H new ATOM 0 HA LEU A 72 8.373 -5.987 -1.487 1.00 1.00 H new ATOM 0 HB2 LEU A 72 7.807 -5.825 1.514 1.00 1.00 H new ATOM 0 HB3 LEU A 72 6.877 -6.740 0.344 1.00 1.00 H new ATOM 0 HG LEU A 72 9.839 -7.252 0.424 1.00 1.00 H new ATOM 0 HD11 LEU A 72 9.548 -8.830 2.314 1.00 1.00 H new ATOM 0 HD12 LEU A 72 9.197 -7.160 2.819 1.00 1.00 H new ATOM 0 HD13 LEU A 72 7.862 -8.293 2.503 1.00 1.00 H new ATOM 0 HD21 LEU A 72 9.046 -9.557 -0.029 1.00 1.00 H new ATOM 0 HD22 LEU A 72 7.362 -9.018 0.171 1.00 1.00 H new ATOM 0 HD23 LEU A 72 8.338 -8.402 -1.184 1.00 1.00 H new ATOM 516 N PRO A 73 6.839 -4.039 -1.771 1.00 1.00 N ATOM 517 CA PRO A 73 5.921 -2.930 -1.961 1.00 1.00 C ATOM 518 C PRO A 73 4.889 -2.928 -0.831 1.00 1.00 C ATOM 519 O PRO A 73 4.267 -3.930 -0.550 1.00 1.00 O ATOM 520 CB PRO A 73 5.257 -3.208 -3.305 1.00 1.00 C ATOM 521 CG PRO A 73 6.306 -4.089 -4.054 1.00 1.00 C ATOM 522 CD PRO A 73 7.043 -4.896 -2.948 1.00 1.00 C ATOM 0 HA PRO A 73 6.413 -1.957 -1.948 1.00 1.00 H new ATOM 0 HB2 PRO A 73 4.308 -3.730 -3.183 1.00 1.00 H new ATOM 0 HB3 PRO A 73 5.047 -2.286 -3.847 1.00 1.00 H new ATOM 0 HG2 PRO A 73 5.820 -4.755 -4.767 1.00 1.00 H new ATOM 0 HG3 PRO A 73 7.004 -3.471 -4.619 1.00 1.00 H new ATOM 0 HD2 PRO A 73 6.615 -5.889 -2.811 1.00 1.00 H new ATOM 0 HD3 PRO A 73 8.100 -5.033 -3.177 1.00 1.00 H new ATOM 523 N TRP A 74 4.706 -1.815 -0.179 1.00 1.00 N ATOM 524 CA TRP A 74 3.718 -1.758 0.938 1.00 1.00 C ATOM 525 C TRP A 74 2.412 -2.448 0.520 1.00 1.00 C ATOM 526 O TRP A 74 1.638 -2.877 1.351 1.00 1.00 O ATOM 527 CB TRP A 74 3.436 -0.299 1.308 1.00 1.00 C ATOM 528 CG TRP A 74 4.716 0.477 1.349 1.00 1.00 C ATOM 529 CD1 TRP A 74 5.249 1.158 0.308 1.00 1.00 C ATOM 530 CD2 TRP A 74 5.624 0.673 2.473 1.00 1.00 C ATOM 531 NE1 TRP A 74 6.430 1.750 0.718 1.00 1.00 N ATOM 532 CE2 TRP A 74 6.703 1.482 2.044 1.00 1.00 C ATOM 533 CE3 TRP A 74 5.617 0.228 3.809 1.00 1.00 C ATOM 534 CZ2 TRP A 74 7.738 1.838 2.910 1.00 1.00 C ATOM 535 CZ3 TRP A 74 6.658 0.585 4.684 1.00 1.00 C ATOM 536 CH2 TRP A 74 7.716 1.389 4.234 1.00 1.00 C ATOM 0 H TRP A 74 5.197 -0.941 -0.370 1.00 1.00 H new ATOM 0 HA TRP A 74 4.132 -2.275 1.804 1.00 1.00 H new ATOM 0 HB2 TRP A 74 2.756 0.144 0.580 1.00 1.00 H new ATOM 0 HB3 TRP A 74 2.941 -0.251 2.278 1.00 1.00 H new ATOM 0 HD1 TRP A 74 4.822 1.228 -0.681 1.00 1.00 H new ATOM 0 HE1 TRP A 74 7.026 2.316 0.114 1.00 1.00 H new ATOM 0 HE3 TRP A 74 4.807 -0.392 4.164 1.00 1.00 H new ATOM 0 HZ2 TRP A 74 8.551 2.457 2.560 1.00 1.00 H new ATOM 0 HZ3 TRP A 74 6.643 0.239 5.707 1.00 1.00 H new ATOM 0 HH2 TRP A 74 8.513 1.661 4.910 1.00 1.00 H new ATOM 537 N ASN A 75 2.155 -2.554 -0.759 1.00 1.00 N ATOM 538 CA ASN A 75 0.895 -3.212 -1.214 1.00 1.00 C ATOM 539 C ASN A 75 0.990 -4.731 -1.027 1.00 1.00 C ATOM 540 O ASN A 75 0.052 -5.358 -0.576 1.00 1.00 O ATOM 541 CB ASN A 75 0.656 -2.892 -2.690 1.00 1.00 C ATOM 542 CG ASN A 75 -0.847 -2.908 -2.978 1.00 1.00 C ATOM 543 OD1 ASN A 75 -1.299 -3.600 -3.869 1.00 1.00 O ATOM 544 ND2 ASN A 75 -1.645 -2.168 -2.258 1.00 1.00 N ATOM 0 H ASN A 75 2.762 -2.214 -1.505 1.00 1.00 H new ATOM 0 HA ASN A 75 0.064 -2.835 -0.617 1.00 1.00 H new ATOM 0 HB2 ASN A 75 1.074 -1.915 -2.934 1.00 1.00 H new ATOM 0 HB3 ASN A 75 1.166 -3.622 -3.319 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -2.648 -2.170 -2.443 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -1.266 -1.587 -1.510 1.00 1.00 H new ATOM 545 N SER A 76 2.110 -5.322 -1.376 1.00 1.00 N ATOM 546 CA SER A 76 2.285 -6.797 -1.227 1.00 1.00 C ATOM 547 C SER A 76 1.532 -7.271 0.009 1.00 1.00 C ATOM 548 O SER A 76 1.941 -7.044 1.126 1.00 1.00 O ATOM 549 CB SER A 76 3.771 -7.122 -1.077 1.00 1.00 C ATOM 550 OG SER A 76 3.914 -8.424 -0.525 1.00 1.00 O ATOM 0 H SER A 76 2.919 -4.835 -1.762 1.00 1.00 H new ATOM 0 HA SER A 76 1.892 -7.303 -2.109 1.00 1.00 H new ATOM 0 HB2 SER A 76 4.266 -7.069 -2.047 1.00 1.00 H new ATOM 0 HB3 SER A 76 4.253 -6.386 -0.433 1.00 1.00 H new ATOM 0 HG SER A 76 4.866 -8.636 -0.429 1.00 1.00 H new ATOM 551 N ALA A 77 0.417 -7.900 -0.211 1.00 1.00 N ATOM 552 CA ALA A 77 -0.444 -8.385 0.915 1.00 1.00 C ATOM 553 C ALA A 77 0.403 -8.766 2.132 1.00 1.00 C ATOM 554 O ALA A 77 0.001 -8.556 3.259 1.00 1.00 O ATOM 555 CB ALA A 77 -1.239 -9.607 0.452 1.00 1.00 C ATOM 0 H ALA A 77 0.052 -8.106 -1.141 1.00 1.00 H new ATOM 0 HA ALA A 77 -1.120 -7.580 1.203 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -1.867 -9.963 1.269 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -1.867 -9.333 -0.396 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -0.550 -10.397 0.153 1.00 1.00 H new ATOM 556 N THR A 78 1.573 -9.304 1.933 1.00 1.00 N ATOM 557 CA THR A 78 2.418 -9.660 3.108 1.00 1.00 C ATOM 558 C THR A 78 2.580 -8.418 3.980 1.00 1.00 C ATOM 559 O THR A 78 2.138 -8.372 5.114 1.00 1.00 O ATOM 560 CB THR A 78 3.797 -10.128 2.631 1.00 1.00 C ATOM 561 OG1 THR A 78 3.645 -10.966 1.494 1.00 1.00 O ATOM 562 CG2 THR A 78 4.491 -10.903 3.752 1.00 1.00 C ATOM 0 H THR A 78 1.978 -9.511 1.020 1.00 1.00 H new ATOM 0 HA THR A 78 1.946 -10.462 3.675 1.00 1.00 H new ATOM 0 HB THR A 78 4.402 -9.262 2.364 1.00 1.00 H new ATOM 0 HG1 THR A 78 3.687 -10.423 0.679 1.00 1.00 H new ATOM 0 HG21 THR A 78 5.472 -11.235 3.411 1.00 1.00 H new ATOM 0 HG22 THR A 78 4.609 -10.257 4.622 1.00 1.00 H new ATOM 0 HG23 THR A 78 3.888 -11.770 4.022 1.00 1.00 H new ATOM 563 N VAL A 79 3.200 -7.401 3.453 1.00 1.00 N ATOM 564 CA VAL A 79 3.381 -6.161 4.230 1.00 1.00 C ATOM 565 C VAL A 79 1.999 -5.552 4.504 1.00 1.00 C ATOM 566 O VAL A 79 1.692 -5.176 5.612 1.00 1.00 O ATOM 567 CB VAL A 79 4.275 -5.200 3.431 1.00 1.00 C ATOM 568 CG1 VAL A 79 3.975 -5.286 1.935 1.00 1.00 C ATOM 569 CG2 VAL A 79 4.031 -3.779 3.889 1.00 1.00 C ATOM 0 H VAL A 79 3.589 -7.382 2.510 1.00 1.00 H new ATOM 0 HA VAL A 79 3.867 -6.360 5.185 1.00 1.00 H new ATOM 0 HB VAL A 79 5.313 -5.485 3.604 1.00 1.00 H new ATOM 0 HG11 VAL A 79 4.622 -4.596 1.394 1.00 1.00 H new ATOM 0 HG12 VAL A 79 4.156 -6.302 1.585 1.00 1.00 H new ATOM 0 HG13 VAL A 79 2.933 -5.021 1.757 1.00 1.00 H new ATOM 0 HG21 VAL A 79 4.666 -3.099 3.321 1.00 1.00 H new ATOM 0 HG22 VAL A 79 2.985 -3.519 3.727 1.00 1.00 H new ATOM 0 HG23 VAL A 79 4.266 -3.693 4.950 1.00 1.00 H new ATOM 570 N LEU A 80 1.145 -5.480 3.520 1.00 1.00 N ATOM 571 CA LEU A 80 -0.212 -4.922 3.775 1.00 1.00 C ATOM 572 C LEU A 80 -0.762 -5.573 5.047 1.00 1.00 C ATOM 573 O LEU A 80 -1.592 -5.018 5.739 1.00 1.00 O ATOM 574 CB LEU A 80 -1.139 -5.227 2.594 1.00 1.00 C ATOM 575 CG LEU A 80 -1.447 -3.932 1.831 1.00 1.00 C ATOM 576 CD1 LEU A 80 -2.604 -4.173 0.861 1.00 1.00 C ATOM 577 CD2 LEU A 80 -1.841 -2.827 2.816 1.00 1.00 C ATOM 0 H LEU A 80 1.325 -5.780 2.562 1.00 1.00 H new ATOM 0 HA LEU A 80 -0.155 -3.840 3.896 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -0.669 -5.950 1.928 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -2.064 -5.678 2.952 1.00 1.00 H new ATOM 0 HG LEU A 80 -0.559 -3.626 1.278 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -2.822 -3.253 0.319 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -2.328 -4.954 0.153 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -3.487 -4.484 1.419 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -2.058 -1.911 2.267 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -2.726 -3.135 3.373 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -1.020 -2.648 3.510 1.00 1.00 H new ATOM 578 N GLN A 81 -0.282 -6.749 5.362 1.00 1.00 N ATOM 579 CA GLN A 81 -0.741 -7.454 6.591 1.00 1.00 C ATOM 580 C GLN A 81 -0.027 -6.852 7.808 1.00 1.00 C ATOM 581 O GLN A 81 -0.627 -6.614 8.838 1.00 1.00 O ATOM 582 CB GLN A 81 -0.388 -8.939 6.470 1.00 1.00 C ATOM 583 CG GLN A 81 -1.636 -9.783 6.726 1.00 1.00 C ATOM 584 CD GLN A 81 -1.308 -10.890 7.730 1.00 1.00 C ATOM 585 OE1 GLN A 81 -0.910 -11.973 7.349 1.00 1.00 O ATOM 586 NE2 GLN A 81 -1.459 -10.663 9.006 1.00 1.00 N ATOM 0 H GLN A 81 0.415 -7.253 4.813 1.00 1.00 H new ATOM 0 HA GLN A 81 -1.819 -7.342 6.710 1.00 1.00 H new ATOM 0 HB2 GLN A 81 0.009 -9.149 5.477 1.00 1.00 H new ATOM 0 HB3 GLN A 81 0.392 -9.198 7.186 1.00 1.00 H new ATOM 0 HG2 GLN A 81 -2.440 -9.155 7.111 1.00 1.00 H new ATOM 0 HG3 GLN A 81 -1.991 -10.218 5.792 1.00 1.00 H new ATOM 0 HE21 GLN A 81 -1.793 -9.754 9.326 1.00 1.00 H new ATOM 0 HE22 GLN A 81 -1.243 -11.395 9.683 1.00 1.00 H new ATOM 587 N GLN A 82 1.254 -6.610 7.689 1.00 1.00 N ATOM 588 CA GLN A 82 2.035 -6.021 8.823 1.00 1.00 C ATOM 589 C GLN A 82 1.396 -4.704 9.286 1.00 1.00 C ATOM 590 O GLN A 82 0.207 -4.491 9.160 1.00 1.00 O ATOM 591 CB GLN A 82 3.465 -5.733 8.344 1.00 1.00 C ATOM 592 CG GLN A 82 3.436 -4.592 7.325 1.00 1.00 C ATOM 593 CD GLN A 82 4.442 -3.499 7.703 1.00 1.00 C ATOM 594 OE1 GLN A 82 4.495 -3.058 8.831 1.00 1.00 O ATOM 595 NE2 GLN A 82 5.249 -3.037 6.795 1.00 1.00 N ATOM 0 H GLN A 82 1.799 -6.797 6.847 1.00 1.00 H new ATOM 0 HA GLN A 82 2.042 -6.727 9.654 1.00 1.00 H new ATOM 0 HB2 GLN A 82 4.097 -5.464 9.190 1.00 1.00 H new ATOM 0 HB3 GLN A 82 3.897 -6.627 7.894 1.00 1.00 H new ATOM 0 HG2 GLN A 82 3.668 -4.979 6.333 1.00 1.00 H new ATOM 0 HG3 GLN A 82 2.433 -4.168 7.275 1.00 1.00 H new ATOM 0 HE21 GLN A 82 5.210 -3.403 5.844 1.00 1.00 H new ATOM 0 HE22 GLN A 82 5.921 -2.308 7.034 1.00 1.00 H new ATOM 596 N THR A 83 2.192 -3.818 9.822 1.00 1.00 N ATOM 597 CA THR A 83 1.660 -2.504 10.290 1.00 1.00 C ATOM 598 C THR A 83 1.893 -1.442 9.203 1.00 1.00 C ATOM 599 O THR A 83 1.020 -1.159 8.407 1.00 1.00 O ATOM 600 CB THR A 83 2.385 -2.089 11.573 1.00 1.00 C ATOM 601 OG1 THR A 83 3.668 -2.698 11.608 1.00 1.00 O ATOM 602 CG2 THR A 83 1.572 -2.536 12.789 1.00 1.00 C ATOM 0 H THR A 83 3.195 -3.948 9.957 1.00 1.00 H new ATOM 0 HA THR A 83 0.592 -2.593 10.489 1.00 1.00 H new ATOM 0 HB THR A 83 2.496 -1.005 11.593 1.00 1.00 H new ATOM 0 HG1 THR A 83 4.134 -2.432 12.428 1.00 1.00 H new ATOM 0 HG21 THR A 83 2.089 -2.240 13.701 1.00 1.00 H new ATOM 0 HG22 THR A 83 0.588 -2.067 12.761 1.00 1.00 H new ATOM 0 HG23 THR A 83 1.458 -3.620 12.772 1.00 1.00 H new ATOM 603 N TYR A 84 3.064 -0.853 9.162 1.00 1.00 N ATOM 604 CA TYR A 84 3.345 0.187 8.124 1.00 1.00 C ATOM 605 C TYR A 84 3.395 -0.473 6.749 1.00 1.00 C ATOM 606 O TYR A 84 4.436 -0.876 6.277 1.00 1.00 O ATOM 607 CB TYR A 84 4.672 0.878 8.440 1.00 1.00 C ATOM 608 CG TYR A 84 4.488 1.732 9.673 1.00 1.00 C ATOM 609 CD1 TYR A 84 3.465 2.690 9.715 1.00 1.00 C ATOM 610 CD2 TYR A 84 5.329 1.557 10.780 1.00 1.00 C ATOM 611 CE1 TYR A 84 3.284 3.473 10.863 1.00 1.00 C ATOM 612 CE2 TYR A 84 5.149 2.342 11.928 1.00 1.00 C ATOM 613 CZ TYR A 84 4.126 3.299 11.969 1.00 1.00 C ATOM 614 OH TYR A 84 3.948 4.070 13.100 1.00 1.00 O ATOM 0 H TYR A 84 3.835 -1.047 9.801 1.00 1.00 H new ATOM 0 HA TYR A 84 2.554 0.937 8.125 1.00 1.00 H new ATOM 0 HB2 TYR A 84 5.454 0.137 8.606 1.00 1.00 H new ATOM 0 HB3 TYR A 84 4.989 1.493 7.598 1.00 1.00 H new ATOM 0 HD1 TYR A 84 2.816 2.825 8.862 1.00 1.00 H new ATOM 0 HD2 TYR A 84 6.116 0.818 10.749 1.00 1.00 H new ATOM 0 HE1 TYR A 84 2.496 4.210 10.895 1.00 1.00 H new ATOM 0 HE2 TYR A 84 5.799 2.209 12.780 1.00 1.00 H new ATOM 0 HH TYR A 84 4.633 4.770 13.130 1.00 1.00 H new ATOM 615 N HIS A 85 2.260 -0.613 6.119 1.00 1.00 N ATOM 616 CA HIS A 85 2.216 -1.291 4.795 1.00 1.00 C ATOM 617 C HIS A 85 1.313 -0.540 3.817 1.00 1.00 C ATOM 618 O HIS A 85 1.041 -1.026 2.739 1.00 1.00 O ATOM 619 CB HIS A 85 1.640 -2.675 5.026 1.00 1.00 C ATOM 620 CG HIS A 85 0.293 -2.521 5.674 1.00 1.00 C ATOM 621 ND1 HIS A 85 -0.085 -3.266 6.775 1.00 1.00 N ATOM 622 CD2 HIS A 85 -0.767 -1.697 5.398 1.00 1.00 C ATOM 623 CE1 HIS A 85 -1.326 -2.873 7.123 1.00 1.00 C ATOM 624 NE2 HIS A 85 -1.786 -1.919 6.316 1.00 1.00 N ATOM 0 H HIS A 85 1.359 -0.285 6.467 1.00 1.00 H new ATOM 0 HA HIS A 85 3.218 -1.328 4.367 1.00 1.00 H new ATOM 0 HB2 HIS A 85 1.548 -3.211 4.081 1.00 1.00 H new ATOM 0 HB3 HIS A 85 2.303 -3.261 5.662 1.00 1.00 H new ATOM 0 HD1 HIS A 85 0.473 -3.982 7.239 1.00 1.00 H new ATOM 0 HD2 HIS A 85 -0.804 -0.983 4.589 1.00 1.00 H new ATOM 0 HE1 HIS A 85 -1.880 -3.282 7.955 1.00 1.00 H new ATOM 625 N ALA A 86 0.850 0.623 4.193 1.00 1.00 N ATOM 626 CA ALA A 86 -0.046 1.437 3.306 1.00 1.00 C ATOM 627 C ALA A 86 -1.502 1.217 3.717 1.00 1.00 C ATOM 628 O ALA A 86 -2.407 1.308 2.913 1.00 1.00 O ATOM 629 CB ALA A 86 0.141 1.048 1.834 1.00 1.00 C ATOM 0 H ALA A 86 1.057 1.055 5.094 1.00 1.00 H new ATOM 0 HA ALA A 86 0.215 2.489 3.418 1.00 1.00 H new ATOM 0 HB1 ALA A 86 -0.519 1.652 1.211 1.00 1.00 H new ATOM 0 HB2 ALA A 86 1.176 1.222 1.540 1.00 1.00 H new ATOM 0 HB3 ALA A 86 -0.101 -0.007 1.703 1.00 1.00 H new ATOM 630 N HIS A 87 -1.726 0.938 4.971 1.00 1.00 N ATOM 631 CA HIS A 87 -3.113 0.715 5.474 1.00 1.00 C ATOM 632 C HIS A 87 -3.061 0.641 7.001 1.00 1.00 C ATOM 633 O HIS A 87 -3.841 -0.046 7.630 1.00 1.00 O ATOM 634 CB HIS A 87 -3.671 -0.602 4.922 1.00 1.00 C ATOM 635 CG HIS A 87 -4.614 -0.324 3.783 1.00 1.00 C ATOM 636 ND1 HIS A 87 -4.900 0.822 3.084 1.00 1.00 N flip ATOM 637 CD2 HIS A 87 -5.405 -1.316 3.224 1.00 1.00 C flip ATOM 638 CE1 HIS A 87 -5.852 0.549 2.107 1.00 1.00 C flip ATOM 639 NE2 HIS A 87 -6.121 -0.753 2.234 1.00 1.00 N flip ATOM 0 H HIS A 87 -0.997 0.854 5.679 1.00 1.00 H new ATOM 0 HA HIS A 87 -3.759 1.531 5.150 1.00 1.00 H new ATOM 0 HB2 HIS A 87 -2.854 -1.238 4.582 1.00 1.00 H new ATOM 0 HB3 HIS A 87 -4.191 -1.145 5.711 1.00 1.00 H new ATOM 0 HD1 HIS A 87 -4.479 1.735 3.255 1.00 1.00 H new ATOM 0 HD2 HIS A 87 -5.440 -2.352 3.528 1.00 1.00 H new ATOM 0 HE1 HIS A 87 -6.281 1.241 1.398 1.00 1.00 H new ATOM 640 N ARG A 88 -2.133 1.341 7.599 1.00 1.00 N ATOM 641 CA ARG A 88 -2.004 1.316 9.080 1.00 1.00 C ATOM 642 C ARG A 88 -2.700 2.544 9.666 1.00 1.00 C ATOM 643 O ARG A 88 -3.181 3.397 8.947 1.00 1.00 O ATOM 644 CB ARG A 88 -0.518 1.354 9.442 1.00 1.00 C ATOM 645 CG ARG A 88 -0.259 0.507 10.687 1.00 1.00 C ATOM 646 CD ARG A 88 1.029 0.986 11.359 1.00 1.00 C ATOM 647 NE ARG A 88 1.052 0.525 12.776 1.00 1.00 N ATOM 648 CZ ARG A 88 0.250 1.068 13.651 1.00 1.00 C ATOM 649 NH1 ARG A 88 0.300 2.353 13.873 1.00 1.00 N ATOM 650 NH2 ARG A 88 -0.602 0.326 14.302 1.00 1.00 N ATOM 0 H ARG A 88 -1.455 1.933 7.118 1.00 1.00 H new ATOM 0 HA ARG A 88 -2.463 0.413 9.482 1.00 1.00 H new ATOM 0 HB2 ARG A 88 0.077 0.981 8.608 1.00 1.00 H new ATOM 0 HB3 ARG A 88 -0.206 2.383 9.621 1.00 1.00 H new ATOM 0 HG2 ARG A 88 -1.097 0.589 11.379 1.00 1.00 H new ATOM 0 HG3 ARG A 88 -0.172 -0.545 10.415 1.00 1.00 H new ATOM 0 HD2 ARG A 88 1.896 0.598 10.825 1.00 1.00 H new ATOM 0 HD3 ARG A 88 1.090 2.074 11.318 1.00 1.00 H new ATOM 0 HE ARG A 88 1.694 -0.214 13.062 1.00 1.00 H new ATOM 0 HH11 ARG A 88 0.966 2.933 13.363 1.00 1.00 H new ATOM 0 HH12 ARG A 88 -0.327 2.777 14.557 1.00 1.00 H new ATOM 0 HH21 ARG A 88 -0.641 -0.678 14.127 1.00 1.00 H new ATOM 0 HH22 ARG A 88 -1.229 0.750 14.986 1.00 1.00 H new ATOM 651 N SER A 89 -2.749 2.651 10.965 1.00 1.00 N ATOM 652 CA SER A 89 -3.403 3.835 11.583 1.00 1.00 C ATOM 653 C SER A 89 -2.419 5.006 11.589 1.00 1.00 C ATOM 654 O SER A 89 -2.693 6.058 12.132 1.00 1.00 O ATOM 655 CB SER A 89 -3.818 3.505 13.017 1.00 1.00 C ATOM 656 OG SER A 89 -2.680 3.586 13.865 1.00 1.00 O ATOM 0 H SER A 89 -2.366 1.972 11.622 1.00 1.00 H new ATOM 0 HA SER A 89 -4.289 4.104 11.008 1.00 1.00 H new ATOM 0 HB2 SER A 89 -4.587 4.199 13.354 1.00 1.00 H new ATOM 0 HB3 SER A 89 -4.249 2.505 13.062 1.00 1.00 H new ATOM 0 HG SER A 89 -2.943 3.377 14.786 1.00 1.00 H new ATOM 657 N ASP A 90 -1.276 4.832 10.983 1.00 1.00 N ATOM 658 CA ASP A 90 -0.276 5.936 10.947 1.00 1.00 C ATOM 659 C ASP A 90 0.380 5.974 9.567 1.00 1.00 C ATOM 660 O ASP A 90 1.328 6.700 9.340 1.00 1.00 O ATOM 661 CB ASP A 90 0.795 5.697 12.011 1.00 1.00 C ATOM 662 CG ASP A 90 0.249 6.092 13.385 1.00 1.00 C ATOM 663 OD1 ASP A 90 -0.787 6.735 13.426 1.00 1.00 O ATOM 664 OD2 ASP A 90 0.877 5.746 14.372 1.00 1.00 O ATOM 0 H ASP A 90 -0.992 3.973 10.512 1.00 1.00 H new ATOM 0 HA ASP A 90 -0.775 6.885 11.146 1.00 1.00 H new ATOM 0 HB2 ASP A 90 1.092 4.648 12.014 1.00 1.00 H new ATOM 0 HB3 ASP A 90 1.687 6.280 11.781 1.00 1.00 H new ATOM 665 N ALA A 91 -0.117 5.201 8.641 1.00 1.00 N ATOM 666 CA ALA A 91 0.479 5.201 7.278 1.00 1.00 C ATOM 667 C ALA A 91 0.094 6.498 6.572 1.00 1.00 C ATOM 668 O ALA A 91 0.675 6.869 5.571 1.00 1.00 O ATOM 669 CB ALA A 91 -0.053 4.006 6.485 1.00 1.00 C ATOM 0 H ALA A 91 -0.909 4.571 8.770 1.00 1.00 H new ATOM 0 HA ALA A 91 1.564 5.127 7.348 1.00 1.00 H new ATOM 0 HB1 ALA A 91 0.385 4.008 5.487 1.00 1.00 H new ATOM 0 HB2 ALA A 91 0.214 3.082 6.997 1.00 1.00 H new ATOM 0 HB3 ALA A 91 -1.138 4.076 6.406 1.00 1.00 H new ATOM 670 N LEU A 92 -0.879 7.195 7.091 1.00 1.00 N ATOM 671 CA LEU A 92 -1.291 8.472 6.450 1.00 1.00 C ATOM 672 C LEU A 92 -0.378 9.603 6.921 1.00 1.00 C ATOM 673 O LEU A 92 -0.381 10.687 6.372 1.00 1.00 O ATOM 674 CB LEU A 92 -2.755 8.809 6.759 1.00 1.00 C ATOM 675 CG LEU A 92 -3.114 8.570 8.230 1.00 1.00 C ATOM 676 CD1 LEU A 92 -3.495 7.104 8.448 1.00 1.00 C ATOM 677 CD2 LEU A 92 -1.950 8.947 9.155 1.00 1.00 C ATOM 0 H LEU A 92 -1.403 6.936 7.927 1.00 1.00 H new ATOM 0 HA LEU A 92 -1.199 8.356 5.370 1.00 1.00 H new ATOM 0 HB2 LEU A 92 -2.946 9.852 6.507 1.00 1.00 H new ATOM 0 HB3 LEU A 92 -3.405 8.204 6.127 1.00 1.00 H new ATOM 0 HG LEU A 92 -3.965 9.206 8.475 1.00 1.00 H new ATOM 0 HD11 LEU A 92 -3.748 6.946 9.496 1.00 1.00 H new ATOM 0 HD12 LEU A 92 -4.355 6.855 7.826 1.00 1.00 H new ATOM 0 HD13 LEU A 92 -2.654 6.465 8.177 1.00 1.00 H new ATOM 0 HD21 LEU A 92 -2.236 8.766 10.191 1.00 1.00 H new ATOM 0 HD22 LEU A 92 -1.078 8.341 8.908 1.00 1.00 H new ATOM 0 HD23 LEU A 92 -1.708 10.002 9.024 1.00 1.00 H new ATOM 678 N GLN A 93 0.422 9.352 7.921 1.00 1.00 N ATOM 679 CA GLN A 93 1.353 10.403 8.411 1.00 1.00 C ATOM 680 C GLN A 93 2.625 10.336 7.571 1.00 1.00 C ATOM 681 O GLN A 93 3.317 11.316 7.381 1.00 1.00 O ATOM 682 CB GLN A 93 1.689 10.147 9.882 1.00 1.00 C ATOM 683 CG GLN A 93 0.933 11.147 10.760 1.00 1.00 C ATOM 684 CD GLN A 93 1.845 11.628 11.890 1.00 1.00 C ATOM 685 OE1 GLN A 93 1.995 12.816 12.101 1.00 1.00 O ATOM 686 NE2 GLN A 93 2.466 10.751 12.630 1.00 1.00 N ATOM 0 H GLN A 93 0.470 8.463 8.419 1.00 1.00 H new ATOM 0 HA GLN A 93 0.895 11.388 8.324 1.00 1.00 H new ATOM 0 HB2 GLN A 93 1.417 9.128 10.156 1.00 1.00 H new ATOM 0 HB3 GLN A 93 2.763 10.244 10.043 1.00 1.00 H new ATOM 0 HG2 GLN A 93 0.601 11.995 10.161 1.00 1.00 H new ATOM 0 HG3 GLN A 93 0.039 10.680 11.174 1.00 1.00 H new ATOM 0 HE21 GLN A 93 2.340 9.754 12.453 1.00 1.00 H new ATOM 0 HE22 GLN A 93 3.077 11.062 13.385 1.00 1.00 H new ATOM 687 N LEU A 94 2.927 9.173 7.064 1.00 1.00 N ATOM 688 CA LEU A 94 4.143 9.006 6.226 1.00 1.00 C ATOM 689 C LEU A 94 3.729 8.887 4.758 1.00 1.00 C ATOM 690 O LEU A 94 4.550 8.946 3.864 1.00 1.00 O ATOM 691 CB LEU A 94 4.874 7.734 6.656 1.00 1.00 C ATOM 692 CG LEU A 94 5.241 7.828 8.139 1.00 1.00 C ATOM 693 CD1 LEU A 94 5.827 9.208 8.444 1.00 1.00 C ATOM 694 CD2 LEU A 94 3.987 7.610 8.988 1.00 1.00 C ATOM 0 H LEU A 94 2.377 8.324 7.197 1.00 1.00 H new ATOM 0 HA LEU A 94 4.801 9.866 6.349 1.00 1.00 H new ATOM 0 HB2 LEU A 94 4.242 6.863 6.482 1.00 1.00 H new ATOM 0 HB3 LEU A 94 5.774 7.600 6.056 1.00 1.00 H new ATOM 0 HG LEU A 94 5.982 7.064 8.374 1.00 1.00 H new ATOM 0 HD11 LEU A 94 6.086 9.268 9.501 1.00 1.00 H new ATOM 0 HD12 LEU A 94 6.722 9.364 7.842 1.00 1.00 H new ATOM 0 HD13 LEU A 94 5.091 9.976 8.207 1.00 1.00 H new ATOM 0 HD21 LEU A 94 4.247 7.677 10.044 1.00 1.00 H new ATOM 0 HD22 LEU A 94 3.247 8.374 8.747 1.00 1.00 H new ATOM 0 HD23 LEU A 94 3.572 6.624 8.778 1.00 1.00 H new ATOM 695 N GLY A 95 2.458 8.722 4.502 1.00 1.00 N ATOM 696 CA GLY A 95 1.991 8.602 3.093 1.00 1.00 C ATOM 697 C GLY A 95 2.667 7.405 2.420 1.00 1.00 C ATOM 698 O GLY A 95 3.639 7.551 1.706 1.00 1.00 O ATOM 0 H GLY A 95 1.725 8.665 5.209 1.00 1.00 H new ATOM 0 HA2 GLY A 95 0.908 8.480 3.069 1.00 1.00 H new ATOM 0 HA3 GLY A 95 2.221 9.516 2.545 1.00 1.00 H new ATOM 699 N LEU A 96 2.154 6.222 2.631 1.00 1.00 N ATOM 700 CA LEU A 96 2.763 5.022 1.990 1.00 1.00 C ATOM 701 C LEU A 96 2.017 4.733 0.684 1.00 1.00 C ATOM 702 O LEU A 96 2.409 5.181 -0.376 1.00 1.00 O ATOM 703 CB LEU A 96 2.648 3.817 2.931 1.00 1.00 C ATOM 704 CG LEU A 96 3.496 4.056 4.184 1.00 1.00 C ATOM 705 CD1 LEU A 96 2.649 3.805 5.432 1.00 1.00 C ATOM 706 CD2 LEU A 96 4.693 3.101 4.189 1.00 1.00 C ATOM 0 H LEU A 96 1.341 6.036 3.218 1.00 1.00 H new ATOM 0 HA LEU A 96 3.817 5.206 1.783 1.00 1.00 H new ATOM 0 HB2 LEU A 96 1.606 3.660 3.210 1.00 1.00 H new ATOM 0 HB3 LEU A 96 2.982 2.913 2.422 1.00 1.00 H new ATOM 0 HG LEU A 96 3.852 5.086 4.182 1.00 1.00 H new ATOM 0 HD11 LEU A 96 3.254 3.975 6.323 1.00 1.00 H new ATOM 0 HD12 LEU A 96 1.797 4.485 5.436 1.00 1.00 H new ATOM 0 HD13 LEU A 96 2.291 2.775 5.428 1.00 1.00 H new ATOM 0 HD21 LEU A 96 5.293 3.275 5.082 1.00 1.00 H new ATOM 0 HD22 LEU A 96 4.337 2.071 4.186 1.00 1.00 H new ATOM 0 HD23 LEU A 96 5.302 3.277 3.302 1.00 1.00 H new ATOM 707 N GLY A 97 0.938 4.002 0.749 1.00 1.00 N ATOM 708 CA GLY A 97 0.163 3.704 -0.491 1.00 1.00 C ATOM 709 C GLY A 97 0.697 2.434 -1.157 1.00 1.00 C ATOM 710 O GLY A 97 1.309 1.597 -0.525 1.00 1.00 O ATOM 0 H GLY A 97 0.559 3.598 1.606 1.00 1.00 H new ATOM 0 HA2 GLY A 97 -0.892 3.579 -0.248 1.00 1.00 H new ATOM 0 HA3 GLY A 97 0.234 4.543 -1.183 1.00 1.00 H new ATOM 711 N LYS A 98 0.460 2.286 -2.434 1.00 1.00 N ATOM 712 CA LYS A 98 0.943 1.071 -3.152 1.00 1.00 C ATOM 713 C LYS A 98 2.244 1.393 -3.890 1.00 1.00 C ATOM 714 O LYS A 98 2.247 1.665 -5.074 1.00 1.00 O ATOM 715 CB LYS A 98 -0.120 0.624 -4.161 1.00 1.00 C ATOM 716 CG LYS A 98 0.419 -0.536 -5.003 1.00 1.00 C ATOM 717 CD LYS A 98 -0.250 -0.525 -6.380 1.00 1.00 C ATOM 718 CE LYS A 98 -0.007 0.825 -7.058 1.00 1.00 C ATOM 719 NZ LYS A 98 0.448 0.601 -8.460 1.00 1.00 N ATOM 0 H LYS A 98 -0.048 2.956 -3.011 1.00 1.00 H new ATOM 0 HA LYS A 98 1.125 0.272 -2.433 1.00 1.00 H new ATOM 0 HB2 LYS A 98 -1.025 0.315 -3.637 1.00 1.00 H new ATOM 0 HB3 LYS A 98 -0.394 1.458 -4.807 1.00 1.00 H new ATOM 0 HG2 LYS A 98 1.500 -0.448 -5.112 1.00 1.00 H new ATOM 0 HG3 LYS A 98 0.225 -1.484 -4.501 1.00 1.00 H new ATOM 0 HD2 LYS A 98 0.150 -1.330 -6.996 1.00 1.00 H new ATOM 0 HD3 LYS A 98 -1.320 -0.704 -6.277 1.00 1.00 H new ATOM 0 HE2 LYS A 98 -0.922 1.418 -7.051 1.00 1.00 H new ATOM 0 HE3 LYS A 98 0.744 1.391 -6.507 1.00 1.00 H new ATOM 0 HZ1 LYS A 98 0.614 1.518 -8.922 1.00 1.00 H new ATOM 0 HZ2 LYS A 98 1.331 0.052 -8.455 1.00 1.00 H new ATOM 0 HZ3 LYS A 98 -0.283 0.077 -8.983 1.00 1.00 H new ATOM 720 N HIS A 99 3.352 1.357 -3.203 1.00 1.00 N ATOM 721 CA HIS A 99 4.652 1.653 -3.869 1.00 1.00 C ATOM 722 C HIS A 99 5.749 0.798 -3.232 1.00 1.00 C ATOM 723 O HIS A 99 5.474 -0.160 -2.537 1.00 1.00 O ATOM 724 CB HIS A 99 4.989 3.136 -3.702 1.00 1.00 C ATOM 725 CG HIS A 99 4.931 3.499 -2.247 1.00 1.00 C ATOM 726 ND1 HIS A 99 5.967 4.159 -1.608 1.00 1.00 N ATOM 727 CD2 HIS A 99 3.969 3.295 -1.291 1.00 1.00 C ATOM 728 CE1 HIS A 99 5.609 4.326 -0.322 1.00 1.00 C ATOM 729 NE2 HIS A 99 4.399 3.817 -0.075 1.00 1.00 N ATOM 0 H HIS A 99 3.414 1.135 -2.209 1.00 1.00 H new ATOM 0 HA HIS A 99 4.581 1.422 -4.932 1.00 1.00 H new ATOM 0 HB2 HIS A 99 5.983 3.342 -4.100 1.00 1.00 H new ATOM 0 HB3 HIS A 99 4.286 3.746 -4.269 1.00 1.00 H new ATOM 0 HD1 HIS A 99 6.842 4.463 -2.035 1.00 1.00 H new ATOM 0 HD2 HIS A 99 3.022 2.804 -1.457 1.00 1.00 H new ATOM 0 HE1 HIS A 99 6.225 4.812 0.420 1.00 1.00 H new ATOM 730 N ASN A 100 6.991 1.130 -3.461 1.00 1.00 N ATOM 731 CA ASN A 100 8.092 0.324 -2.864 1.00 1.00 C ATOM 732 C ASN A 100 9.241 1.244 -2.443 1.00 1.00 C ATOM 733 O ASN A 100 10.384 1.022 -2.790 1.00 1.00 O ATOM 734 CB ASN A 100 8.599 -0.688 -3.894 1.00 1.00 C ATOM 735 CG ASN A 100 8.730 -0.008 -5.258 1.00 1.00 C ATOM 736 OD1 ASN A 100 7.835 -0.084 -6.076 1.00 1.00 O ATOM 737 ND2 ASN A 100 9.816 0.658 -5.539 1.00 1.00 N ATOM 0 H ASN A 100 7.289 1.920 -4.033 1.00 1.00 H new ATOM 0 HA ASN A 100 7.716 -0.204 -1.987 1.00 1.00 H new ATOM 0 HB2 ASN A 100 9.563 -1.088 -3.582 1.00 1.00 H new ATOM 0 HB3 ASN A 100 7.911 -1.531 -3.961 1.00 1.00 H new ATOM 0 HD21 ASN A 100 9.914 1.115 -6.446 1.00 1.00 H new ATOM 0 HD22 ASN A 100 10.567 0.722 -4.852 1.00 1.00 H new ATOM 738 N TYR A 101 8.949 2.271 -1.692 1.00 1.00 N ATOM 739 CA TYR A 101 10.030 3.196 -1.245 1.00 1.00 C ATOM 740 C TYR A 101 10.365 2.910 0.219 1.00 1.00 C ATOM 741 O TYR A 101 9.953 1.912 0.776 1.00 1.00 O ATOM 742 CB TYR A 101 9.560 4.645 -1.388 1.00 1.00 C ATOM 743 CG TYR A 101 9.956 5.172 -2.747 1.00 1.00 C ATOM 744 CD1 TYR A 101 9.748 4.389 -3.890 1.00 1.00 C ATOM 745 CD2 TYR A 101 10.533 6.443 -2.864 1.00 1.00 C ATOM 746 CE1 TYR A 101 10.116 4.878 -5.150 1.00 1.00 C ATOM 747 CE2 TYR A 101 10.901 6.932 -4.124 1.00 1.00 C ATOM 748 CZ TYR A 101 10.693 6.150 -5.268 1.00 1.00 C ATOM 749 OH TYR A 101 11.055 6.631 -6.509 1.00 1.00 O ATOM 0 H TYR A 101 8.011 2.509 -1.369 1.00 1.00 H new ATOM 0 HA TYR A 101 10.917 3.044 -1.861 1.00 1.00 H new ATOM 0 HB2 TYR A 101 8.478 4.701 -1.266 1.00 1.00 H new ATOM 0 HB3 TYR A 101 10.002 5.261 -0.605 1.00 1.00 H new ATOM 0 HD1 TYR A 101 9.304 3.409 -3.800 1.00 1.00 H new ATOM 0 HD2 TYR A 101 10.694 7.046 -1.983 1.00 1.00 H new ATOM 0 HE1 TYR A 101 9.955 4.275 -6.031 1.00 1.00 H new ATOM 0 HE2 TYR A 101 11.345 7.912 -4.214 1.00 1.00 H new ATOM 0 HH TYR A 101 11.439 7.528 -6.413 1.00 1.00 H new ATOM 750 N CYS A 102 11.111 3.776 0.849 1.00 1.00 N ATOM 751 CA CYS A 102 11.470 3.547 2.276 1.00 1.00 C ATOM 752 C CYS A 102 10.988 4.728 3.121 1.00 1.00 C ATOM 753 O CYS A 102 11.283 5.871 2.834 1.00 1.00 O ATOM 754 CB CYS A 102 12.988 3.412 2.403 1.00 1.00 C ATOM 755 SG CYS A 102 13.510 1.827 1.704 1.00 1.00 S ATOM 0 H CYS A 102 11.486 4.630 0.438 1.00 1.00 H new ATOM 0 HA CYS A 102 10.993 2.632 2.629 1.00 1.00 H new ATOM 0 HB2 CYS A 102 13.482 4.232 1.882 1.00 1.00 H new ATOM 0 HB3 CYS A 102 13.284 3.475 3.450 1.00 1.00 H new ATOM 756 N ARG A 103 10.249 4.460 4.163 1.00 1.00 N ATOM 757 CA ARG A 103 9.750 5.567 5.026 1.00 1.00 C ATOM 758 C ARG A 103 10.110 5.276 6.484 1.00 1.00 C ATOM 759 O ARG A 103 10.386 4.152 6.853 1.00 1.00 O ATOM 760 CB ARG A 103 8.230 5.677 4.888 1.00 1.00 C ATOM 761 CG ARG A 103 7.886 6.849 3.968 1.00 1.00 C ATOM 762 CD ARG A 103 8.065 6.422 2.510 1.00 1.00 C ATOM 763 NE ARG A 103 7.975 7.619 1.628 1.00 1.00 N ATOM 764 CZ ARG A 103 7.700 7.476 0.361 1.00 1.00 C ATOM 765 NH1 ARG A 103 8.650 7.179 -0.484 1.00 1.00 N ATOM 766 NH2 ARG A 103 6.475 7.628 -0.062 1.00 1.00 N ATOM 0 H ARG A 103 9.970 3.523 4.453 1.00 1.00 H new ATOM 0 HA ARG A 103 10.211 6.505 4.717 1.00 1.00 H new ATOM 0 HB2 ARG A 103 7.823 4.751 4.483 1.00 1.00 H new ATOM 0 HB3 ARG A 103 7.775 5.824 5.867 1.00 1.00 H new ATOM 0 HG2 ARG A 103 6.859 7.171 4.140 1.00 1.00 H new ATOM 0 HG3 ARG A 103 8.529 7.701 4.190 1.00 1.00 H new ATOM 0 HD2 ARG A 103 9.030 5.932 2.379 1.00 1.00 H new ATOM 0 HD3 ARG A 103 7.299 5.696 2.236 1.00 1.00 H new ATOM 0 HE ARG A 103 8.128 8.550 2.015 1.00 1.00 H new ATOM 0 HH11 ARG A 103 9.607 7.059 -0.153 1.00 1.00 H new ATOM 0 HH12 ARG A 103 8.435 7.067 -1.475 1.00 1.00 H new ATOM 0 HH21 ARG A 103 5.732 7.859 0.598 1.00 1.00 H new ATOM 0 HH22 ARG A 103 6.260 7.516 -1.053 1.00 1.00 H new ATOM 767 N ASN A 104 10.111 6.280 7.317 1.00 1.00 N ATOM 768 CA ASN A 104 10.455 6.059 8.749 1.00 1.00 C ATOM 769 C ASN A 104 9.252 6.419 9.627 1.00 1.00 C ATOM 770 O ASN A 104 9.319 7.338 10.419 1.00 1.00 O ATOM 771 CB ASN A 104 11.645 6.942 9.130 1.00 1.00 C ATOM 772 CG ASN A 104 11.860 6.884 10.644 1.00 1.00 C ATOM 773 OD1 ASN A 104 12.267 5.869 11.173 1.00 1.00 O ATOM 774 ND2 ASN A 104 11.602 7.939 11.368 1.00 1.00 N ATOM 0 H ASN A 104 9.888 7.244 7.068 1.00 1.00 H new ATOM 0 HA ASN A 104 10.715 5.011 8.901 1.00 1.00 H new ATOM 0 HB2 ASN A 104 12.542 6.605 8.611 1.00 1.00 H new ATOM 0 HB3 ASN A 104 11.463 7.970 8.817 1.00 1.00 H new ATOM 0 HD21 ASN A 104 11.742 7.911 12.378 1.00 1.00 H new ATOM 0 HD22 ASN A 104 11.260 8.791 10.924 1.00 1.00 H new ATOM 775 N PRO A 105 8.185 5.677 9.462 1.00 1.00 N ATOM 776 CA PRO A 105 6.964 5.895 10.229 1.00 1.00 C ATOM 777 C PRO A 105 7.191 5.566 11.708 1.00 1.00 C ATOM 778 O PRO A 105 6.330 5.781 12.538 1.00 1.00 O ATOM 779 CB PRO A 105 5.948 4.935 9.614 1.00 1.00 C ATOM 780 CG PRO A 105 6.838 3.834 8.959 1.00 1.00 C ATOM 781 CD PRO A 105 8.126 4.568 8.497 1.00 1.00 C ATOM 0 HA PRO A 105 6.630 6.932 10.191 1.00 1.00 H new ATOM 0 HB2 PRO A 105 5.283 4.517 10.369 1.00 1.00 H new ATOM 0 HB3 PRO A 105 5.319 5.434 8.877 1.00 1.00 H new ATOM 0 HG2 PRO A 105 7.071 3.042 9.671 1.00 1.00 H new ATOM 0 HG3 PRO A 105 6.328 3.366 8.117 1.00 1.00 H new ATOM 0 HD2 PRO A 105 9.006 3.928 8.552 1.00 1.00 H new ATOM 0 HD3 PRO A 105 8.052 4.921 7.468 1.00 1.00 H new ATOM 782 N ASP A 106 8.339 5.047 12.048 1.00 1.00 N ATOM 783 CA ASP A 106 8.608 4.709 13.472 1.00 1.00 C ATOM 784 C ASP A 106 9.869 5.446 13.937 1.00 1.00 C ATOM 785 O ASP A 106 10.103 6.581 13.572 1.00 1.00 O ATOM 786 CB ASP A 106 8.810 3.197 13.602 1.00 1.00 C ATOM 787 CG ASP A 106 8.295 2.729 14.965 1.00 1.00 C ATOM 788 OD1 ASP A 106 8.057 3.577 15.809 1.00 1.00 O ATOM 789 OD2 ASP A 106 8.147 1.531 15.140 1.00 1.00 O ATOM 0 H ASP A 106 9.101 4.843 11.401 1.00 1.00 H new ATOM 0 HA ASP A 106 7.765 5.014 14.092 1.00 1.00 H new ATOM 0 HB2 ASP A 106 8.280 2.678 12.803 1.00 1.00 H new ATOM 0 HB3 ASP A 106 9.866 2.950 13.496 1.00 1.00 H new ATOM 790 N ASN A 107 10.682 4.814 14.738 1.00 1.00 N ATOM 791 CA ASN A 107 11.923 5.482 15.222 1.00 1.00 C ATOM 792 C ASN A 107 13.129 4.597 14.905 1.00 1.00 C ATOM 793 O ASN A 107 13.491 3.727 15.672 1.00 1.00 O ATOM 794 CB ASN A 107 11.831 5.698 16.734 1.00 1.00 C ATOM 795 CG ASN A 107 10.855 6.838 17.030 1.00 1.00 C ATOM 796 OD1 ASN A 107 9.686 6.605 17.268 1.00 1.00 O ATOM 797 ND2 ASN A 107 11.287 8.069 17.026 1.00 1.00 N ATOM 0 H ASN A 107 10.540 3.863 15.079 1.00 1.00 H new ATOM 0 HA ASN A 107 12.036 6.446 14.726 1.00 1.00 H new ATOM 0 HB2 ASN A 107 11.496 4.783 17.223 1.00 1.00 H new ATOM 0 HB3 ASN A 107 12.815 5.934 17.139 1.00 1.00 H new ATOM 0 HD21 ASN A 107 10.644 8.836 17.223 1.00 1.00 H new ATOM 0 HD22 ASN A 107 12.268 8.265 16.826 1.00 1.00 H new ATOM 798 N ARG A 108 13.752 4.808 13.778 1.00 1.00 N ATOM 799 CA ARG A 108 14.931 3.974 13.412 1.00 1.00 C ATOM 800 C ARG A 108 16.095 4.878 13.003 1.00 1.00 C ATOM 801 O ARG A 108 17.154 4.411 12.633 1.00 1.00 O ATOM 802 CB ARG A 108 14.561 3.063 12.241 1.00 1.00 C ATOM 803 CG ARG A 108 13.640 1.946 12.733 1.00 1.00 C ATOM 804 CD ARG A 108 14.482 0.740 13.154 1.00 1.00 C ATOM 805 NE ARG A 108 14.245 0.447 14.595 1.00 1.00 N ATOM 806 CZ ARG A 108 15.024 -0.387 15.228 1.00 1.00 C ATOM 807 NH1 ARG A 108 15.458 -1.460 14.625 1.00 1.00 N ATOM 808 NH2 ARG A 108 15.369 -0.149 16.464 1.00 1.00 N ATOM 0 H ARG A 108 13.496 5.521 13.095 1.00 1.00 H new ATOM 0 HA ARG A 108 15.227 3.370 14.269 1.00 1.00 H new ATOM 0 HB2 ARG A 108 14.065 3.640 11.460 1.00 1.00 H new ATOM 0 HB3 ARG A 108 15.462 2.637 11.799 1.00 1.00 H new ATOM 0 HG2 ARG A 108 13.042 2.297 13.574 1.00 1.00 H new ATOM 0 HG3 ARG A 108 12.944 1.660 11.944 1.00 1.00 H new ATOM 0 HD2 ARG A 108 14.222 -0.128 12.548 1.00 1.00 H new ATOM 0 HD3 ARG A 108 15.539 0.943 12.982 1.00 1.00 H new ATOM 0 HE ARG A 108 13.474 0.898 15.087 1.00 1.00 H new ATOM 0 HH11 ARG A 108 15.188 -1.647 13.659 1.00 1.00 H new ATOM 0 HH12 ARG A 108 16.067 -2.112 15.120 1.00 1.00 H new ATOM 0 HH21 ARG A 108 15.030 0.689 16.936 1.00 1.00 H new ATOM 0 HH22 ARG A 108 15.978 -0.801 16.958 1.00 1.00 H new ATOM 809 N ARG A 109 15.910 6.169 13.061 1.00 1.00 N ATOM 810 CA ARG A 109 17.010 7.095 12.669 1.00 1.00 C ATOM 811 C ARG A 109 17.574 6.662 11.315 1.00 1.00 C ATOM 812 O ARG A 109 18.702 6.958 10.976 1.00 1.00 O ATOM 813 CB ARG A 109 18.117 7.049 13.722 1.00 1.00 C ATOM 814 CG ARG A 109 17.761 7.992 14.873 1.00 1.00 C ATOM 815 CD ARG A 109 19.021 8.314 15.678 1.00 1.00 C ATOM 816 NE ARG A 109 19.709 9.489 15.072 1.00 1.00 N ATOM 817 CZ ARG A 109 19.925 10.559 15.787 1.00 1.00 C ATOM 818 NH1 ARG A 109 19.045 10.943 16.670 1.00 1.00 N ATOM 819 NH2 ARG A 109 21.021 11.247 15.617 1.00 1.00 N ATOM 0 H ARG A 109 15.047 6.621 13.362 1.00 1.00 H new ATOM 0 HA ARG A 109 16.624 8.112 12.597 1.00 1.00 H new ATOM 0 HB2 ARG A 109 18.238 6.032 14.094 1.00 1.00 H new ATOM 0 HB3 ARG A 109 19.069 7.341 13.278 1.00 1.00 H new ATOM 0 HG2 ARG A 109 17.322 8.910 14.482 1.00 1.00 H new ATOM 0 HG3 ARG A 109 17.013 7.530 15.518 1.00 1.00 H new ATOM 0 HD2 ARG A 109 18.759 8.527 16.714 1.00 1.00 H new ATOM 0 HD3 ARG A 109 19.689 7.453 15.688 1.00 1.00 H new ATOM 0 HE ARG A 109 20.011 9.457 14.098 1.00 1.00 H new ATOM 0 HH11 ARG A 109 18.187 10.407 16.802 1.00 1.00 H new ATOM 0 HH12 ARG A 109 19.215 11.779 17.229 1.00 1.00 H new ATOM 0 HH21 ARG A 109 21.709 10.948 14.925 1.00 1.00 H new ATOM 0 HH22 ARG A 109 21.190 12.083 16.176 1.00 1.00 H new ATOM 820 N ARG A 110 16.794 5.960 10.540 1.00 1.00 N ATOM 821 CA ARG A 110 17.277 5.503 9.208 1.00 1.00 C ATOM 822 C ARG A 110 16.087 4.966 8.399 1.00 1.00 C ATOM 823 O ARG A 110 15.413 4.055 8.836 1.00 1.00 O ATOM 824 CB ARG A 110 18.306 4.386 9.398 1.00 1.00 C ATOM 825 CG ARG A 110 19.507 4.637 8.483 1.00 1.00 C ATOM 826 CD ARG A 110 20.755 3.995 9.091 1.00 1.00 C ATOM 827 NE ARG A 110 21.741 5.057 9.439 1.00 1.00 N ATOM 828 CZ ARG A 110 22.403 4.990 10.562 1.00 1.00 C ATOM 829 NH1 ARG A 110 21.764 5.045 11.699 1.00 1.00 N ATOM 830 NH2 ARG A 110 23.702 4.870 10.549 1.00 1.00 N ATOM 0 H ARG A 110 15.840 5.683 10.773 1.00 1.00 H new ATOM 0 HA ARG A 110 17.738 6.336 8.677 1.00 1.00 H new ATOM 0 HB2 ARG A 110 18.629 4.348 10.438 1.00 1.00 H new ATOM 0 HB3 ARG A 110 17.856 3.420 9.169 1.00 1.00 H new ATOM 0 HG2 ARG A 110 19.317 4.221 7.493 1.00 1.00 H new ATOM 0 HG3 ARG A 110 19.662 5.708 8.354 1.00 1.00 H new ATOM 0 HD2 ARG A 110 20.487 3.427 9.982 1.00 1.00 H new ATOM 0 HD3 ARG A 110 21.196 3.292 8.385 1.00 1.00 H new ATOM 0 HE ARG A 110 21.898 5.836 8.800 1.00 1.00 H new ATOM 0 HH11 ARG A 110 20.749 5.140 11.709 1.00 1.00 H new ATOM 0 HH12 ARG A 110 22.280 4.993 12.577 1.00 1.00 H new ATOM 0 HH21 ARG A 110 24.201 4.828 9.661 1.00 1.00 H new ATOM 0 HH22 ARG A 110 24.218 4.818 11.427 1.00 1.00 H new ATOM 831 N PRO A 111 15.857 5.546 7.244 1.00 1.00 N ATOM 832 CA PRO A 111 14.756 5.131 6.386 1.00 1.00 C ATOM 833 C PRO A 111 14.777 3.613 6.193 1.00 1.00 C ATOM 834 O PRO A 111 15.723 3.053 5.673 1.00 1.00 O ATOM 835 CB PRO A 111 15.011 5.849 5.064 1.00 1.00 C ATOM 836 CG PRO A 111 15.851 7.095 5.483 1.00 1.00 C ATOM 837 CD PRO A 111 16.678 6.649 6.721 1.00 1.00 C ATOM 0 HA PRO A 111 13.781 5.377 6.806 1.00 1.00 H new ATOM 0 HB2 PRO A 111 15.554 5.216 4.362 1.00 1.00 H new ATOM 0 HB3 PRO A 111 14.079 6.138 4.578 1.00 1.00 H new ATOM 0 HG2 PRO A 111 16.504 7.418 4.672 1.00 1.00 H new ATOM 0 HG3 PRO A 111 15.205 7.938 5.727 1.00 1.00 H new ATOM 0 HD2 PRO A 111 17.680 6.319 6.447 1.00 1.00 H new ATOM 0 HD3 PRO A 111 16.794 7.453 7.447 1.00 1.00 H new ATOM 838 N TRP A 112 13.740 2.939 6.609 1.00 1.00 N ATOM 839 CA TRP A 112 13.706 1.461 6.447 1.00 1.00 C ATOM 840 C TRP A 112 12.448 1.052 5.687 1.00 1.00 C ATOM 841 O TRP A 112 11.516 1.819 5.544 1.00 1.00 O ATOM 842 CB TRP A 112 13.703 0.792 7.819 1.00 1.00 C ATOM 843 CG TRP A 112 12.684 1.451 8.686 1.00 1.00 C ATOM 844 CD1 TRP A 112 12.955 2.401 9.604 1.00 1.00 C ATOM 845 CD2 TRP A 112 11.245 1.231 8.729 1.00 1.00 C ATOM 846 NE1 TRP A 112 11.773 2.779 10.218 1.00 1.00 N ATOM 847 CE2 TRP A 112 10.690 2.085 9.712 1.00 1.00 C ATOM 848 CE3 TRP A 112 10.376 0.380 8.019 1.00 1.00 C ATOM 849 CZ2 TRP A 112 9.318 2.094 9.980 1.00 1.00 C ATOM 850 CZ3 TRP A 112 8.996 0.387 8.286 1.00 1.00 C ATOM 851 CH2 TRP A 112 8.469 1.241 9.264 1.00 1.00 C ATOM 0 H TRP A 112 12.918 3.348 7.053 1.00 1.00 H new ATOM 0 HA TRP A 112 14.587 1.146 5.888 1.00 1.00 H new ATOM 0 HB2 TRP A 112 13.479 -0.270 7.718 1.00 1.00 H new ATOM 0 HB3 TRP A 112 14.690 0.868 8.276 1.00 1.00 H new ATOM 0 HD1 TRP A 112 13.934 2.801 9.824 1.00 1.00 H new ATOM 0 HE1 TRP A 112 11.709 3.483 10.953 1.00 1.00 H new ATOM 0 HE3 TRP A 112 10.773 -0.283 7.264 1.00 1.00 H new ATOM 0 HZ2 TRP A 112 8.916 2.754 10.734 1.00 1.00 H new ATOM 0 HZ3 TRP A 112 8.339 -0.269 7.735 1.00 1.00 H new ATOM 0 HH2 TRP A 112 7.408 1.241 9.466 1.00 1.00 H new ATOM 852 N CYS A 113 12.414 -0.157 5.202 1.00 1.00 N ATOM 853 CA CYS A 113 11.217 -0.626 4.454 1.00 1.00 C ATOM 854 C CYS A 113 11.004 -2.114 4.728 1.00 1.00 C ATOM 855 O CYS A 113 11.941 -2.858 4.942 1.00 1.00 O ATOM 856 CB CYS A 113 11.431 -0.408 2.956 1.00 1.00 C ATOM 857 SG CYS A 113 10.296 -1.469 2.029 1.00 1.00 S ATOM 0 H CYS A 113 13.165 -0.841 5.292 1.00 1.00 H new ATOM 0 HA CYS A 113 10.341 -0.065 4.778 1.00 1.00 H new ATOM 0 HB2 CYS A 113 11.260 0.638 2.701 1.00 1.00 H new ATOM 0 HB3 CYS A 113 12.462 -0.637 2.687 1.00 1.00 H new ATOM 858 N TYR A 114 9.780 -2.555 4.726 1.00 1.00 N ATOM 859 CA TYR A 114 9.506 -3.994 4.987 1.00 1.00 C ATOM 860 C TYR A 114 9.997 -4.831 3.802 1.00 1.00 C ATOM 861 O TYR A 114 9.253 -5.145 2.894 1.00 1.00 O ATOM 862 CB TYR A 114 8.002 -4.185 5.196 1.00 1.00 C ATOM 863 CG TYR A 114 7.690 -3.975 6.661 1.00 1.00 C ATOM 864 CD1 TYR A 114 8.113 -2.805 7.306 1.00 1.00 C ATOM 865 CD2 TYR A 114 6.992 -4.957 7.378 1.00 1.00 C ATOM 866 CE1 TYR A 114 7.835 -2.614 8.665 1.00 1.00 C ATOM 867 CE2 TYR A 114 6.716 -4.767 8.739 1.00 1.00 C ATOM 868 CZ TYR A 114 7.137 -3.595 9.382 1.00 1.00 C ATOM 869 OH TYR A 114 6.866 -3.409 10.722 1.00 1.00 O ATOM 0 H TYR A 114 8.955 -1.980 4.555 1.00 1.00 H new ATOM 0 HA TYR A 114 10.033 -4.320 5.883 1.00 1.00 H new ATOM 0 HB2 TYR A 114 7.442 -3.478 4.584 1.00 1.00 H new ATOM 0 HB3 TYR A 114 7.700 -5.185 4.884 1.00 1.00 H new ATOM 0 HD1 TYR A 114 8.654 -2.050 6.755 1.00 1.00 H new ATOM 0 HD2 TYR A 114 6.667 -5.860 6.882 1.00 1.00 H new ATOM 0 HE1 TYR A 114 8.159 -1.711 9.161 1.00 1.00 H new ATOM 0 HE2 TYR A 114 6.179 -5.523 9.292 1.00 1.00 H new ATOM 0 HH TYR A 114 6.374 -4.183 11.067 1.00 1.00 H new ATOM 870 N VAL A 115 11.255 -5.196 3.809 1.00 1.00 N ATOM 871 CA VAL A 115 11.799 -6.018 2.690 1.00 1.00 C ATOM 872 C VAL A 115 11.906 -7.474 3.147 1.00 1.00 C ATOM 873 O VAL A 115 12.348 -7.762 4.242 1.00 1.00 O ATOM 874 CB VAL A 115 13.181 -5.496 2.268 1.00 1.00 C ATOM 875 CG1 VAL A 115 14.156 -5.547 3.445 1.00 1.00 C ATOM 876 CG2 VAL A 115 13.722 -6.366 1.131 1.00 1.00 C ATOM 0 H VAL A 115 11.926 -4.960 4.540 1.00 1.00 H new ATOM 0 HA VAL A 115 11.129 -5.951 1.832 1.00 1.00 H new ATOM 0 HB VAL A 115 13.080 -4.462 1.937 1.00 1.00 H new ATOM 0 HG11 VAL A 115 15.130 -5.174 3.127 1.00 1.00 H new ATOM 0 HG12 VAL A 115 13.777 -4.928 4.258 1.00 1.00 H new ATOM 0 HG13 VAL A 115 14.257 -6.576 3.789 1.00 1.00 H new ATOM 0 HG21 VAL A 115 14.703 -6.000 0.828 1.00 1.00 H new ATOM 0 HG22 VAL A 115 13.809 -7.398 1.472 1.00 1.00 H new ATOM 0 HG23 VAL A 115 13.040 -6.321 0.282 1.00 1.00 H new ATOM 877 N GLN A 116 11.487 -8.393 2.321 1.00 1.00 N ATOM 878 CA GLN A 116 11.541 -9.831 2.708 1.00 1.00 C ATOM 879 C GLN A 116 12.967 -10.216 3.106 1.00 1.00 C ATOM 880 O GLN A 116 13.888 -10.135 2.319 1.00 1.00 O ATOM 881 CB GLN A 116 11.093 -10.694 1.527 1.00 1.00 C ATOM 882 CG GLN A 116 9.667 -11.197 1.770 1.00 1.00 C ATOM 883 CD GLN A 116 9.659 -12.727 1.764 1.00 1.00 C ATOM 884 OE1 GLN A 116 9.037 -13.346 2.604 1.00 1.00 O ATOM 885 NE2 GLN A 116 10.330 -13.367 0.845 1.00 1.00 N ATOM 0 H GLN A 116 11.108 -8.209 1.392 1.00 1.00 H new ATOM 0 HA GLN A 116 10.877 -9.995 3.557 1.00 1.00 H new ATOM 0 HB2 GLN A 116 11.133 -10.115 0.605 1.00 1.00 H new ATOM 0 HB3 GLN A 116 11.771 -11.538 1.403 1.00 1.00 H new ATOM 0 HG2 GLN A 116 9.296 -10.824 2.725 1.00 1.00 H new ATOM 0 HG3 GLN A 116 8.999 -10.816 0.998 1.00 1.00 H new ATOM 0 HE21 GLN A 116 10.852 -12.847 0.140 1.00 1.00 H new ATOM 0 HE22 GLN A 116 10.332 -14.387 0.832 1.00 1.00 H new ATOM 886 N VAL A 117 13.148 -10.651 4.322 1.00 1.00 N ATOM 887 CA VAL A 117 14.505 -11.062 4.779 1.00 1.00 C ATOM 888 C VAL A 117 14.589 -12.588 4.743 1.00 1.00 C ATOM 889 O VAL A 117 15.259 -13.206 5.546 1.00 1.00 O ATOM 890 CB VAL A 117 14.736 -10.573 6.209 1.00 1.00 C ATOM 891 CG1 VAL A 117 16.095 -11.069 6.704 1.00 1.00 C ATOM 892 CG2 VAL A 117 14.713 -9.043 6.233 1.00 1.00 C ATOM 0 H VAL A 117 12.411 -10.740 5.022 1.00 1.00 H new ATOM 0 HA VAL A 117 15.264 -10.629 4.128 1.00 1.00 H new ATOM 0 HB VAL A 117 13.950 -10.960 6.857 1.00 1.00 H new ATOM 0 HG11 VAL A 117 16.260 -10.721 7.724 1.00 1.00 H new ATOM 0 HG12 VAL A 117 16.113 -12.159 6.685 1.00 1.00 H new ATOM 0 HG13 VAL A 117 16.882 -10.682 6.056 1.00 1.00 H new ATOM 0 HG21 VAL A 117 14.878 -8.693 7.252 1.00 1.00 H new ATOM 0 HG22 VAL A 117 15.500 -8.657 5.585 1.00 1.00 H new ATOM 0 HG23 VAL A 117 13.745 -8.688 5.879 1.00 1.00 H new ATOM 893 N GLY A 118 13.899 -13.196 3.820 1.00 1.00 N ATOM 894 CA GLY A 118 13.914 -14.681 3.725 1.00 1.00 C ATOM 895 C GLY A 118 12.471 -15.185 3.728 1.00 1.00 C ATOM 896 O GLY A 118 12.021 -15.821 2.795 1.00 1.00 O ATOM 0 H GLY A 118 13.322 -12.725 3.123 1.00 1.00 H new ATOM 0 HA2 GLY A 118 14.423 -14.997 2.814 1.00 1.00 H new ATOM 0 HA3 GLY A 118 14.466 -15.108 4.563 1.00 1.00 H new ATOM 897 N LEU A 119 11.740 -14.900 4.770 1.00 1.00 N ATOM 898 CA LEU A 119 10.323 -15.356 4.833 1.00 1.00 C ATOM 899 C LEU A 119 9.481 -14.372 5.662 1.00 1.00 C ATOM 900 O LEU A 119 8.319 -14.611 5.925 1.00 1.00 O ATOM 901 CB LEU A 119 10.270 -16.769 5.434 1.00 1.00 C ATOM 902 CG LEU A 119 10.482 -16.728 6.949 1.00 1.00 C ATOM 903 CD1 LEU A 119 11.580 -15.724 7.308 1.00 1.00 C ATOM 904 CD2 LEU A 119 9.175 -16.322 7.620 1.00 1.00 C ATOM 0 H LEU A 119 12.063 -14.371 5.580 1.00 1.00 H new ATOM 0 HA LEU A 119 9.905 -15.386 3.827 1.00 1.00 H new ATOM 0 HB2 LEU A 119 9.307 -17.228 5.210 1.00 1.00 H new ATOM 0 HB3 LEU A 119 11.035 -17.393 4.973 1.00 1.00 H new ATOM 0 HG LEU A 119 10.789 -17.715 7.296 1.00 1.00 H new ATOM 0 HD11 LEU A 119 11.718 -15.707 8.389 1.00 1.00 H new ATOM 0 HD12 LEU A 119 12.513 -16.018 6.827 1.00 1.00 H new ATOM 0 HD13 LEU A 119 11.292 -14.731 6.964 1.00 1.00 H new ATOM 0 HD21 LEU A 119 9.315 -16.290 8.700 1.00 1.00 H new ATOM 0 HD22 LEU A 119 8.874 -15.337 7.264 1.00 1.00 H new ATOM 0 HD23 LEU A 119 8.400 -17.049 7.376 1.00 1.00 H new ATOM 905 N LYS A 120 10.047 -13.262 6.065 1.00 1.00 N ATOM 906 CA LYS A 120 9.270 -12.270 6.863 1.00 1.00 C ATOM 907 C LYS A 120 9.747 -10.853 6.519 1.00 1.00 C ATOM 908 O LYS A 120 10.885 -10.515 6.780 1.00 1.00 O ATOM 909 CB LYS A 120 9.500 -12.526 8.354 1.00 1.00 C ATOM 910 CG LYS A 120 8.373 -13.401 8.901 1.00 1.00 C ATOM 911 CD LYS A 120 7.509 -12.583 9.862 1.00 1.00 C ATOM 912 CE LYS A 120 6.351 -11.947 9.091 1.00 1.00 C ATOM 913 NZ LYS A 120 5.103 -12.045 9.900 1.00 1.00 N ATOM 0 H LYS A 120 11.015 -13.001 5.875 1.00 1.00 H new ATOM 0 HA LYS A 120 8.210 -12.368 6.631 1.00 1.00 H new ATOM 0 HB2 LYS A 120 10.462 -13.016 8.505 1.00 1.00 H new ATOM 0 HB3 LYS A 120 9.536 -11.580 8.895 1.00 1.00 H new ATOM 0 HG2 LYS A 120 7.763 -13.781 8.081 1.00 1.00 H new ATOM 0 HG3 LYS A 120 8.789 -14.267 9.417 1.00 1.00 H new ATOM 0 HD2 LYS A 120 7.124 -13.223 10.656 1.00 1.00 H new ATOM 0 HD3 LYS A 120 8.110 -11.809 10.340 1.00 1.00 H new ATOM 0 HE2 LYS A 120 6.575 -10.903 8.873 1.00 1.00 H new ATOM 0 HE3 LYS A 120 6.217 -12.451 8.134 1.00 1.00 H new ATOM 0 HZ1 LYS A 120 4.315 -11.613 9.377 1.00 1.00 H new ATOM 0 HZ2 LYS A 120 4.888 -13.045 10.086 1.00 1.00 H new ATOM 0 HZ3 LYS A 120 5.234 -11.545 10.803 1.00 1.00 H new ATOM 914 N PRO A 121 8.873 -10.057 5.951 1.00 1.00 N ATOM 915 CA PRO A 121 9.218 -8.691 5.590 1.00 1.00 C ATOM 916 C PRO A 121 9.780 -7.967 6.814 1.00 1.00 C ATOM 917 O PRO A 121 9.046 -7.419 7.612 1.00 1.00 O ATOM 918 CB PRO A 121 7.903 -8.053 5.159 1.00 1.00 C ATOM 919 CG PRO A 121 7.014 -9.274 4.754 1.00 1.00 C ATOM 920 CD PRO A 121 7.499 -10.465 5.632 1.00 1.00 C ATOM 0 HA PRO A 121 9.971 -8.643 4.803 1.00 1.00 H new ATOM 0 HB2 PRO A 121 7.451 -7.480 5.969 1.00 1.00 H new ATOM 0 HB3 PRO A 121 8.045 -7.367 4.324 1.00 1.00 H new ATOM 0 HG2 PRO A 121 5.959 -9.064 4.929 1.00 1.00 H new ATOM 0 HG3 PRO A 121 7.122 -9.501 3.693 1.00 1.00 H new ATOM 0 HD2 PRO A 121 6.890 -10.588 6.528 1.00 1.00 H new ATOM 0 HD3 PRO A 121 7.468 -11.411 5.092 1.00 1.00 H new ATOM 921 N LEU A 122 11.072 -7.959 6.972 1.00 1.00 N ATOM 922 CA LEU A 122 11.666 -7.271 8.149 1.00 1.00 C ATOM 923 C LEU A 122 12.045 -5.846 7.753 1.00 1.00 C ATOM 924 O LEU A 122 12.533 -5.604 6.666 1.00 1.00 O ATOM 925 CB LEU A 122 12.917 -8.026 8.606 1.00 1.00 C ATOM 926 CG LEU A 122 12.700 -8.578 10.016 1.00 1.00 C ATOM 927 CD1 LEU A 122 14.029 -9.090 10.573 1.00 1.00 C ATOM 928 CD2 LEU A 122 12.164 -7.468 10.924 1.00 1.00 C ATOM 0 H LEU A 122 11.741 -8.398 6.339 1.00 1.00 H new ATOM 0 HA LEU A 122 10.944 -7.247 8.965 1.00 1.00 H new ATOM 0 HB2 LEU A 122 13.134 -8.841 7.915 1.00 1.00 H new ATOM 0 HB3 LEU A 122 13.780 -7.360 8.595 1.00 1.00 H new ATOM 0 HG LEU A 122 11.980 -9.396 9.977 1.00 1.00 H new ATOM 0 HD11 LEU A 122 13.875 -9.483 11.578 1.00 1.00 H new ATOM 0 HD12 LEU A 122 14.413 -9.881 9.929 1.00 1.00 H new ATOM 0 HD13 LEU A 122 14.748 -8.271 10.610 1.00 1.00 H new ATOM 0 HD21 LEU A 122 12.010 -7.862 11.928 1.00 1.00 H new ATOM 0 HD22 LEU A 122 12.883 -6.650 10.962 1.00 1.00 H new ATOM 0 HD23 LEU A 122 11.217 -7.100 10.529 1.00 1.00 H new ATOM 929 N VAL A 123 11.825 -4.897 8.620 1.00 1.00 N ATOM 930 CA VAL A 123 12.179 -3.495 8.272 1.00 1.00 C ATOM 931 C VAL A 123 13.703 -3.367 8.235 1.00 1.00 C ATOM 932 O VAL A 123 14.380 -3.553 9.227 1.00 1.00 O ATOM 933 CB VAL A 123 11.570 -2.517 9.298 1.00 1.00 C ATOM 934 CG1 VAL A 123 10.303 -3.125 9.901 1.00 1.00 C ATOM 935 CG2 VAL A 123 12.567 -2.214 10.424 1.00 1.00 C ATOM 0 H VAL A 123 11.419 -5.031 9.546 1.00 1.00 H new ATOM 0 HA VAL A 123 11.772 -3.243 7.293 1.00 1.00 H new ATOM 0 HB VAL A 123 11.329 -1.588 8.782 1.00 1.00 H new ATOM 0 HG11 VAL A 123 9.876 -2.431 10.625 1.00 1.00 H new ATOM 0 HG12 VAL A 123 9.578 -3.315 9.109 1.00 1.00 H new ATOM 0 HG13 VAL A 123 10.551 -4.062 10.399 1.00 1.00 H new ATOM 0 HG21 VAL A 123 12.114 -1.522 11.134 1.00 1.00 H new ATOM 0 HG22 VAL A 123 12.830 -3.140 10.936 1.00 1.00 H new ATOM 0 HG23 VAL A 123 13.466 -1.764 10.003 1.00 1.00 H new ATOM 936 N GLN A 124 14.249 -3.059 7.097 1.00 1.00 N ATOM 937 CA GLN A 124 15.724 -2.924 6.999 1.00 1.00 C ATOM 938 C GLN A 124 16.070 -1.450 6.774 1.00 1.00 C ATOM 939 O GLN A 124 15.361 -0.739 6.097 1.00 1.00 O ATOM 940 CB GLN A 124 16.234 -3.813 5.840 1.00 1.00 C ATOM 941 CG GLN A 124 16.695 -2.974 4.638 1.00 1.00 C ATOM 942 CD GLN A 124 15.510 -2.204 4.047 1.00 1.00 C ATOM 943 OE1 GLN A 124 15.684 -1.139 3.491 1.00 1.00 O ATOM 944 NE2 GLN A 124 14.303 -2.689 4.151 1.00 1.00 N ATOM 0 H GLN A 124 13.738 -2.895 6.230 1.00 1.00 H new ATOM 0 HA GLN A 124 16.209 -3.253 7.918 1.00 1.00 H new ATOM 0 HB2 GLN A 124 17.061 -4.430 6.192 1.00 1.00 H new ATOM 0 HB3 GLN A 124 15.441 -4.492 5.527 1.00 1.00 H new ATOM 0 HG2 GLN A 124 17.473 -2.277 4.949 1.00 1.00 H new ATOM 0 HG3 GLN A 124 17.132 -3.622 3.879 1.00 1.00 H new ATOM 0 HE21 GLN A 124 14.151 -3.583 4.617 1.00 1.00 H new ATOM 0 HE22 GLN A 124 13.511 -2.174 3.766 1.00 1.00 H new ATOM 945 N GLU A 125 17.151 -0.985 7.331 1.00 1.00 N ATOM 946 CA GLU A 125 17.527 0.440 7.128 1.00 1.00 C ATOM 947 C GLU A 125 18.014 0.602 5.685 1.00 1.00 C ATOM 948 O GLU A 125 19.194 0.523 5.411 1.00 1.00 O ATOM 949 CB GLU A 125 18.649 0.816 8.098 1.00 1.00 C ATOM 950 CG GLU A 125 18.323 0.265 9.488 1.00 1.00 C ATOM 951 CD GLU A 125 19.177 0.981 10.536 1.00 1.00 C ATOM 952 OE1 GLU A 125 18.979 2.171 10.720 1.00 1.00 O ATOM 953 OE2 GLU A 125 20.015 0.328 11.136 1.00 1.00 O ATOM 0 H GLU A 125 17.788 -1.527 7.915 1.00 1.00 H new ATOM 0 HA GLU A 125 16.671 1.090 7.312 1.00 1.00 H new ATOM 0 HB2 GLU A 125 19.599 0.412 7.748 1.00 1.00 H new ATOM 0 HB3 GLU A 125 18.760 1.899 8.141 1.00 1.00 H new ATOM 0 HG2 GLU A 125 17.265 0.407 9.708 1.00 1.00 H new ATOM 0 HG3 GLU A 125 18.514 -0.808 9.519 1.00 1.00 H new ATOM 954 N CYS A 126 17.108 0.807 4.763 1.00 1.00 N ATOM 955 CA CYS A 126 17.500 0.953 3.328 1.00 1.00 C ATOM 956 C CYS A 126 18.813 1.732 3.219 1.00 1.00 C ATOM 957 O CYS A 126 18.896 2.883 3.599 1.00 1.00 O ATOM 958 CB CYS A 126 16.401 1.708 2.578 1.00 1.00 C ATOM 959 SG CYS A 126 14.782 1.076 3.081 1.00 1.00 S ATOM 0 H CYS A 126 16.107 0.880 4.944 1.00 1.00 H new ATOM 0 HA CYS A 126 17.634 -0.037 2.892 1.00 1.00 H new ATOM 0 HB2 CYS A 126 16.468 2.775 2.790 1.00 1.00 H new ATOM 0 HB3 CYS A 126 16.532 1.588 1.503 1.00 1.00 H new ATOM 960 N MET A 127 19.839 1.113 2.703 1.00 1.00 N ATOM 961 CA MET A 127 21.146 1.816 2.571 1.00 1.00 C ATOM 962 C MET A 127 21.009 2.971 1.577 1.00 1.00 C ATOM 963 O MET A 127 20.093 3.012 0.780 1.00 1.00 O ATOM 964 CB MET A 127 22.204 0.832 2.067 1.00 1.00 C ATOM 965 CG MET A 127 22.791 0.061 3.250 1.00 1.00 C ATOM 966 SD MET A 127 24.591 0.248 3.259 1.00 1.00 S ATOM 967 CE MET A 127 24.802 0.323 5.055 1.00 1.00 C ATOM 0 H MET A 127 19.829 0.150 2.367 1.00 1.00 H new ATOM 0 HA MET A 127 21.446 2.209 3.542 1.00 1.00 H new ATOM 0 HB2 MET A 127 21.760 0.139 1.352 1.00 1.00 H new ATOM 0 HB3 MET A 127 22.994 1.369 1.542 1.00 1.00 H new ATOM 0 HG2 MET A 127 22.371 0.433 4.185 1.00 1.00 H new ATOM 0 HG3 MET A 127 22.525 -0.994 3.179 1.00 1.00 H new ATOM 0 HE1 MET A 127 25.859 0.440 5.293 1.00 1.00 H new ATOM 0 HE2 MET A 127 24.245 1.172 5.452 1.00 1.00 H new ATOM 0 HE3 MET A 127 24.429 -0.597 5.504 1.00 1.00 H new ATOM 968 N VAL A 128 21.915 3.909 1.616 1.00 1.00 N ATOM 969 CA VAL A 128 21.840 5.060 0.673 1.00 1.00 C ATOM 970 C VAL A 128 23.182 5.795 0.661 1.00 1.00 C ATOM 971 O VAL A 128 23.246 6.988 0.437 1.00 1.00 O ATOM 972 CB VAL A 128 20.736 6.019 1.123 1.00 1.00 C ATOM 973 CG1 VAL A 128 21.186 6.765 2.381 1.00 1.00 C ATOM 974 CG2 VAL A 128 20.453 7.028 0.008 1.00 1.00 C ATOM 0 H VAL A 128 22.705 3.928 2.261 1.00 1.00 H new ATOM 0 HA VAL A 128 21.616 4.695 -0.329 1.00 1.00 H new ATOM 0 HB VAL A 128 19.831 5.452 1.342 1.00 1.00 H new ATOM 0 HG11 VAL A 128 20.399 7.448 2.700 1.00 1.00 H new ATOM 0 HG12 VAL A 128 21.389 6.048 3.176 1.00 1.00 H new ATOM 0 HG13 VAL A 128 22.091 7.332 2.164 1.00 1.00 H new ATOM 0 HG21 VAL A 128 19.667 7.712 0.327 1.00 1.00 H new ATOM 0 HG22 VAL A 128 21.359 7.593 -0.210 1.00 1.00 H new ATOM 0 HG23 VAL A 128 20.131 6.499 -0.889 1.00 1.00 H new ATOM 975 N HIS A 129 24.256 5.093 0.900 1.00 1.00 N ATOM 976 CA HIS A 129 25.592 5.753 0.903 1.00 1.00 C ATOM 977 C HIS A 129 26.260 5.561 -0.460 1.00 1.00 C ATOM 978 O HIS A 129 25.602 5.465 -1.477 1.00 1.00 O ATOM 979 CB HIS A 129 26.467 5.129 1.992 1.00 1.00 C ATOM 980 CG HIS A 129 27.313 6.198 2.628 1.00 1.00 C ATOM 981 ND1 HIS A 129 27.766 7.301 1.921 1.00 1.00 N ATOM 982 CD2 HIS A 129 27.797 6.346 3.904 1.00 1.00 C ATOM 983 CE1 HIS A 129 28.487 8.057 2.768 1.00 1.00 C ATOM 984 NE2 HIS A 129 28.538 7.521 3.991 1.00 1.00 N ATOM 0 H HIS A 129 24.266 4.092 1.093 1.00 1.00 H new ATOM 0 HA HIS A 129 25.470 6.818 1.101 1.00 1.00 H new ATOM 0 HB2 HIS A 129 25.842 4.649 2.745 1.00 1.00 H new ATOM 0 HB3 HIS A 129 27.103 4.354 1.563 1.00 1.00 H new ATOM 0 HD2 HIS A 129 27.628 5.655 4.717 1.00 1.00 H new ATOM 0 HE1 HIS A 129 28.967 8.985 2.493 1.00 1.00 H new ATOM 0 HE2 HIS A 129 29.017 7.893 4.811 1.00 1.00 H new ATOM 985 N ASP A 130 27.564 5.506 -0.489 1.00 1.00 N ATOM 986 CA ASP A 130 28.273 5.322 -1.786 1.00 1.00 C ATOM 987 C ASP A 130 27.855 6.431 -2.754 1.00 1.00 C ATOM 988 O ASP A 130 26.948 6.267 -3.546 1.00 1.00 O ATOM 989 CB ASP A 130 27.906 3.960 -2.380 1.00 1.00 C ATOM 990 CG ASP A 130 28.431 2.848 -1.470 1.00 1.00 C ATOM 991 OD1 ASP A 130 28.819 3.156 -0.355 1.00 1.00 O ATOM 992 OD2 ASP A 130 28.436 1.708 -1.904 1.00 1.00 O ATOM 0 H ASP A 130 28.168 5.581 0.329 1.00 1.00 H new ATOM 0 HA ASP A 130 29.350 5.367 -1.623 1.00 1.00 H new ATOM 0 HB2 ASP A 130 26.824 3.877 -2.486 1.00 1.00 H new ATOM 0 HB3 ASP A 130 28.333 3.860 -3.378 1.00 1.00 H new ATOM 993 N CYS A 131 28.508 7.559 -2.696 1.00 1.00 N ATOM 994 CA CYS A 131 28.145 8.677 -3.612 1.00 1.00 C ATOM 995 C CYS A 131 29.235 9.750 -3.567 1.00 1.00 C ATOM 996 O CYS A 131 29.798 10.119 -4.579 1.00 1.00 O ATOM 997 CB CYS A 131 26.814 9.285 -3.168 1.00 1.00 C ATOM 998 SG CYS A 131 26.775 9.396 -1.362 1.00 1.00 S ATOM 0 H CYS A 131 29.277 7.755 -2.055 1.00 1.00 H new ATOM 0 HA CYS A 131 28.052 8.297 -4.630 1.00 1.00 H new ATOM 0 HB2 CYS A 131 26.690 10.275 -3.607 1.00 1.00 H new ATOM 0 HB3 CYS A 131 25.985 8.672 -3.523 1.00 1.00 H new ATOM 999 N ALA A 132 29.537 10.254 -2.402 1.00 1.00 N ATOM 1000 CA ALA A 132 30.588 11.305 -2.295 1.00 1.00 C ATOM 1001 C ALA A 132 31.899 10.670 -1.823 1.00 1.00 C ATOM 1002 O ALA A 132 32.894 10.690 -2.519 1.00 1.00 O ATOM 1003 CB ALA A 132 30.145 12.368 -1.288 1.00 1.00 C ATOM 0 H ALA A 132 29.102 9.984 -1.520 1.00 1.00 H new ATOM 0 HA ALA A 132 30.739 11.768 -3.270 1.00 1.00 H new ATOM 0 HB1 ALA A 132 30.913 13.137 -1.209 1.00 1.00 H new ATOM 0 HB2 ALA A 132 29.212 12.820 -1.623 1.00 1.00 H new ATOM 0 HB3 ALA A 132 29.994 11.905 -0.313 1.00 1.00 H new ATOM 1004 N ASP A 133 31.907 10.108 -0.646 1.00 1.00 N ATOM 1005 CA ASP A 133 33.154 9.473 -0.132 1.00 1.00 C ATOM 1006 C ASP A 133 34.297 10.489 -0.171 1.00 1.00 C ATOM 1007 O ASP A 133 35.013 10.594 -1.147 1.00 1.00 O ATOM 1008 CB ASP A 133 33.511 8.270 -1.007 1.00 1.00 C ATOM 1009 CG ASP A 133 33.470 6.994 -0.163 1.00 1.00 C ATOM 1010 OD1 ASP A 133 32.384 6.600 0.227 1.00 1.00 O ATOM 1011 OD2 ASP A 133 34.527 6.433 0.078 1.00 1.00 O ATOM 0 H ASP A 133 31.105 10.061 -0.018 1.00 1.00 H new ATOM 0 HA ASP A 133 32.997 9.142 0.895 1.00 1.00 H new ATOM 0 HB2 ASP A 133 32.811 8.191 -1.839 1.00 1.00 H new ATOM 0 HB3 ASP A 133 34.504 8.402 -1.438 1.00 1.00 H new ATOM 1012 N GLY A 134 34.476 11.237 0.883 1.00 1.00 N ATOM 1013 CA GLY A 134 35.574 12.244 0.905 1.00 1.00 C ATOM 1014 C GLY A 134 36.775 11.673 1.662 1.00 1.00 C ATOM 1015 O GLY A 134 37.871 12.193 1.589 1.00 1.00 O ATOM 0 H GLY A 134 33.909 11.194 1.730 1.00 1.00 H new ATOM 0 HA2 GLY A 134 35.863 12.505 -0.113 1.00 1.00 H new ATOM 0 HA3 GLY A 134 35.231 13.161 1.384 1.00 1.00 H new ATOM 1016 N LYS A 135 36.578 10.607 2.388 1.00 1.00 N ATOM 1017 CA LYS A 135 37.709 10.005 3.149 1.00 1.00 C ATOM 1018 C LYS A 135 38.368 11.078 4.018 1.00 1.00 C ATOM 1019 O LYS A 135 39.552 10.951 4.284 1.00 1.00 O ATOM 1020 CB LYS A 135 38.739 9.437 2.169 1.00 1.00 C ATOM 1021 CG LYS A 135 38.978 7.959 2.480 1.00 1.00 C ATOM 1022 CD LYS A 135 40.452 7.742 2.829 1.00 1.00 C ATOM 1023 CE LYS A 135 40.829 8.620 4.023 1.00 1.00 C ATOM 1024 NZ LYS A 135 41.972 8.002 4.752 1.00 1.00 N ATOM 1025 OXT LYS A 135 37.678 12.007 4.401 1.00 1.00 O ATOM 0 H LYS A 135 35.683 10.127 2.487 1.00 1.00 H new ATOM 0 HA LYS A 135 37.333 9.204 3.785 1.00 1.00 H new ATOM 0 HB2 LYS A 135 38.384 9.551 1.145 1.00 1.00 H new ATOM 0 HB3 LYS A 135 39.674 9.992 2.246 1.00 1.00 H new ATOM 0 HG2 LYS A 135 38.347 7.645 3.311 1.00 1.00 H new ATOM 0 HG3 LYS A 135 38.703 7.347 1.621 1.00 1.00 H new ATOM 0 HD2 LYS A 135 40.630 6.693 3.065 1.00 1.00 H new ATOM 0 HD3 LYS A 135 41.079 7.987 1.972 1.00 1.00 H new ATOM 0 HE2 LYS A 135 41.099 9.620 3.682 1.00 1.00 H new ATOM 0 HE3 LYS A 135 39.975 8.731 4.691 1.00 1.00 H new ATOM 0 HZ1 LYS A 135 42.229 8.599 5.564 1.00 1.00 H new ATOM 0 HZ2 LYS A 135 41.698 7.057 5.089 1.00 1.00 H new ATOM 0 HZ3 LYS A 135 42.788 7.918 4.112 1.00 1.00 H new TER 1026 LYS A 135 HETATM 1027 C1 FUC A 136 29.060 28.989 8.310 1.00 1.00 C HETATM 1028 C2 FUC A 136 28.426 29.466 9.615 1.00 1.00 C HETATM 1029 C3 FUC A 136 27.408 30.558 9.315 1.00 1.00 C HETATM 1030 C4 FUC A 136 26.379 30.006 8.338 1.00 1.00 C HETATM 1031 C5 FUC A 136 27.095 29.528 7.080 1.00 1.00 C HETATM 1032 C6 FUC A 136 26.148 28.944 6.050 1.00 1.00 C HETATM 1033 O2 FUC A 136 29.429 29.961 10.490 1.00 1.00 O HETATM 1034 O3 FUC A 136 26.768 30.965 10.516 1.00 1.00 O HETATM 1035 O4 FUC A 136 25.694 28.916 8.937 1.00 1.00 O HETATM 1036 O5 FUC A 136 28.050 28.504 7.420 1.00 1.00 O HETATM 0 HO4 FUC A 136 26.222 28.098 8.826 1.00 1.00 H new HETATM 0 HO3 FUC A 136 26.033 30.350 10.720 1.00 1.00 H new HETATM 0 HO2 FUC A 136 29.014 30.266 11.324 1.00 1.00 H new HETATM 0 H63 FUC A 136 25.625 28.090 6.480 1.00 1.00 H new HETATM 0 H62 FUC A 136 25.423 29.701 5.752 1.00 1.00 H new HETATM 0 H61 FUC A 136 26.715 28.621 5.177 1.00 1.00 H new HETATM 0 H5 FUC A 136 27.579 30.406 6.652 1.00 1.00 H new HETATM 0 H4 FUC A 136 25.661 30.784 8.080 1.00 1.00 H new HETATM 0 H3 FUC A 136 27.907 31.423 8.878 1.00 1.00 H new HETATM 0 H2 FUC A 136 27.923 28.629 10.099 1.00 1.00 H new