USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=51 USER MOD reduce.3.24.130724 removed 778 hydrogens (103 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 NoAdj-H: A 78 ASNHD21 : A 78 ASN ND2 : A 178 NAG C1 :(H bumps) USER MOD Set 1.1: A 184 NAG O6 : rot 180:sc= 0.116 USER MOD Set 1.2: A 185 GAL O2 : rot 1:sc= 0.123 USER MOD Set 2.1: A 183 NAG O3 : rot -140:sc= -0.516 USER MOD Set 2.2: A 186 GAL O2 : rot 128:sc= -4.3! USER MOD Set 3.1: A 85 SER OG : rot -89:sc= 0.975 USER MOD Set 3.2: A 86 THR OG1 : rot 180:sc= -0.521 USER MOD Set 4.1: A 64 SER OG : rot 170:sc= 0.356 USER MOD Set 4.2: A 80 THR OG1 : rot -131:sc= -4.68! USER MOD Set 5.1: A 52 ASN : amide:sc= 0.399 X(o=0.66,f=0.4) USER MOD Set 5.2: A 54 THR OG1 : rot -160:sc= 0.259 USER MOD Single : A 1 ALA N :NH3+ -130:sc= -0.229 (180deg=-1.71!) USER MOD Single : A 5 GLN :FLIP amide:sc= 0.152 F(o=-1,f=0.15) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.543! USER MOD Single : A 13 GLN : amide:sc= -0.518 X(o=-0.52,f=-0.44) USER MOD Single : A 15 ASN :FLIP amide:sc= -11.9! C(o=-14!,f=-12!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.44 K(o=-1.4,f=-5.6!) USER MOD Single : A 27 GLN : amide:sc= -2.67! C(o=-2.7!,f=-5.1!) USER MOD Single : A 29 MET CE :methyl 177:sc= -7.77! (180deg=-7.9!) USER MOD Single : A 34 SER OG : rot 74:sc= 0.185 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.992 USER MOD Single : A 43 SER OG : rot 64:sc= 1.24 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 159:sc= -0.0081 (180deg=-0.332) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.145 X(o=-0.14,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -171:sc= 0.427 USER MOD Single : A 63 LYS NZ :NH3+ 145:sc= -2.09! (180deg=-3.84!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.145 K(o=-0.14,f=-2) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -142:sc= 0 (180deg=-0.0125) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -14.5! C(o=-14!,f=-15!) USER MOD Single : A 83 HIS : no HD1:sc= -12! C(o=-12!,f=-12!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -0.0689 K(o=-0.069,f=-0.58) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 178 NAG O3 : rot 131:sc= 0.0771 USER MOD Single : A 178 NAG O6 : rot 38:sc= 0.00528 USER MOD Single : A 179 NAG O3 : rot 180:sc= 0 USER MOD Single : A 179 NAG O6 : rot -36:sc= 0.0625 USER MOD Single : A 180 BMA O2 : rot 148:sc= 0.0848 USER MOD Single : A 180 BMA O4 : rot -151:sc= 0.828 USER MOD Single : A 181 MAN O3 : rot 28:sc= 0.0518 USER MOD Single : A 181 MAN O4 : rot 160:sc= 0 USER MOD Single : A 181 MAN O6 : rot -34:sc= 0.0412 USER MOD Single : A 182 MAN O3 : rot 30:sc= 0.0525 USER MOD Single : A 182 MAN O4 : rot 31:sc=0.000716 USER MOD Single : A 182 MAN O6 : rot -29:sc= 0.0171 USER MOD Single : A 183 NAG O6 : rot -27:sc= 0.0337 USER MOD Single : A 184 NAG O3 : rot 131:sc= 0.646 USER MOD Single : A 185 GAL O3 : rot 86:sc= 0.0761 USER MOD Single : A 185 GAL O4 : rot 133:sc= 1.14 USER MOD Single : A 185 GAL O6 : rot 180:sc= 0.969 USER MOD Single : A 186 GAL O3 : rot 92:sc= 0.075 USER MOD Single : A 186 GAL O4 : rot 91:sc= 0.0682 USER MOD Single : A 186 GAL O6 : rot -24:sc= 0.0355 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 6.158 -6.894 -6.143 1.00 0.00 N ATOM 2 CA ALA A 1 7.401 -7.588 -6.568 1.00 0.00 C ATOM 3 C ALA A 1 7.466 -9.005 -6.003 1.00 0.00 C ATOM 4 O ALA A 1 7.317 -9.982 -6.737 1.00 0.00 O ATOM 5 CB ALA A 1 8.624 -6.789 -6.143 1.00 0.00 C ATOM 0 H1 ALA A 1 5.691 -6.478 -6.974 1.00 0.00 H new ATOM 0 H2 ALA A 1 5.517 -7.576 -5.691 1.00 0.00 H new ATOM 0 H3 ALA A 1 6.395 -6.141 -5.466 1.00 0.00 H new ATOM 0 HA ALA A 1 7.390 -7.663 -7.655 1.00 0.00 H new ATOM 0 HB1 ALA A 1 9.527 -7.310 -6.461 1.00 0.00 H new ATOM 0 HB2 ALA A 1 8.592 -5.802 -6.605 1.00 0.00 H new ATOM 0 HB3 ALA A 1 8.630 -6.682 -5.058 1.00 0.00 H new ATOM 13 N PRO A 2 7.694 -9.134 -4.686 1.00 0.00 N ATOM 14 CA PRO A 2 7.785 -10.432 -4.018 1.00 0.00 C ATOM 15 C PRO A 2 6.779 -11.444 -4.552 1.00 0.00 C ATOM 16 O PRO A 2 7.042 -12.647 -4.562 1.00 0.00 O ATOM 17 CB PRO A 2 7.469 -10.082 -2.567 1.00 0.00 C ATOM 18 CG PRO A 2 7.993 -8.697 -2.392 1.00 0.00 C ATOM 19 CD PRO A 2 7.885 -8.018 -3.739 1.00 0.00 C ATOM 0 HA PRO A 2 8.756 -10.905 -4.168 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.398 -10.128 -2.372 1.00 0.00 H new ATOM 0 HB3 PRO A 2 7.948 -10.777 -1.878 1.00 0.00 H new ATOM 0 HG2 PRO A 2 7.418 -8.158 -1.640 1.00 0.00 H new ATOM 0 HG3 PRO A 2 9.028 -8.715 -2.050 1.00 0.00 H new ATOM 0 HD2 PRO A 2 7.047 -7.321 -3.769 1.00 0.00 H new ATOM 0 HD3 PRO A 2 8.784 -7.446 -3.971 1.00 0.00 H new ATOM 27 N ASP A 3 5.623 -10.957 -4.989 1.00 0.00 N ATOM 28 CA ASP A 3 4.582 -11.832 -5.513 1.00 0.00 C ATOM 29 C ASP A 3 4.345 -11.581 -7.000 1.00 0.00 C ATOM 30 O ASP A 3 3.511 -10.757 -7.376 1.00 0.00 O ATOM 31 CB ASP A 3 3.284 -11.632 -4.723 1.00 0.00 C ATOM 32 CG ASP A 3 2.040 -11.834 -5.567 1.00 0.00 C ATOM 33 OD1 ASP A 3 1.972 -12.852 -6.288 1.00 0.00 O ATOM 34 OD2 ASP A 3 1.136 -10.975 -5.508 1.00 0.00 O ATOM 0 H ASP A 3 5.384 -9.965 -4.991 1.00 0.00 H new ATOM 0 HA ASP A 3 4.914 -12.864 -5.399 1.00 0.00 H new ATOM 0 HB2 ASP A 3 3.265 -12.328 -3.884 1.00 0.00 H new ATOM 0 HB3 ASP A 3 3.272 -10.626 -4.303 1.00 0.00 H new ATOM 39 N VAL A 4 5.078 -12.304 -7.843 1.00 0.00 N ATOM 40 CA VAL A 4 4.940 -12.163 -9.287 1.00 0.00 C ATOM 41 C VAL A 4 3.476 -12.254 -9.696 1.00 0.00 C ATOM 42 O VAL A 4 2.831 -13.285 -9.504 1.00 0.00 O ATOM 43 CB VAL A 4 5.736 -13.245 -10.041 1.00 0.00 C ATOM 44 CG1 VAL A 4 5.547 -13.097 -11.543 1.00 0.00 C ATOM 45 CG2 VAL A 4 7.209 -13.176 -9.671 1.00 0.00 C ATOM 0 H VAL A 4 5.772 -12.992 -7.550 1.00 0.00 H new ATOM 0 HA VAL A 4 5.339 -11.184 -9.552 1.00 0.00 H new ATOM 0 HB VAL A 4 5.356 -14.223 -9.746 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.117 -13.870 -12.059 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.490 -13.200 -11.789 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.899 -12.115 -11.859 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.757 -13.947 -10.213 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.605 -12.196 -9.936 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.323 -13.335 -8.599 1.00 0.00 H new ATOM 55 N GLN A 5 2.951 -11.170 -10.256 1.00 0.00 N ATOM 56 CA GLN A 5 1.558 -11.139 -10.681 1.00 0.00 C ATOM 57 C GLN A 5 0.634 -11.277 -9.477 1.00 0.00 C ATOM 58 O GLN A 5 1.079 -11.619 -8.381 1.00 0.00 O ATOM 59 CB GLN A 5 1.290 -12.259 -11.688 1.00 0.00 C ATOM 60 CG GLN A 5 0.791 -11.761 -13.034 1.00 0.00 C ATOM 61 CD GLN A 5 -0.723 -11.753 -13.127 1.00 0.00 C ATOM 62 OE1 GLN A 5 -1.336 -10.640 -12.744 1.00 0.00 O flip ATOM 63 NE2 GLN A 5 -1.335 -12.738 -13.539 1.00 0.00 N flip ATOM 0 H GLN A 5 3.466 -10.306 -10.425 1.00 0.00 H new ATOM 0 HA GLN A 5 1.360 -10.181 -11.162 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.207 -12.828 -11.838 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.554 -12.945 -11.268 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.167 -10.753 -13.207 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.197 -12.393 -13.824 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.824 -13.574 -13.823 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.353 -12.719 -13.596 1.00 0.00 H new ATOM 72 N ASP A 6 -0.650 -11.000 -9.677 1.00 0.00 N ATOM 73 CA ASP A 6 -1.621 -11.090 -8.594 1.00 0.00 C ATOM 74 C ASP A 6 -1.440 -9.927 -7.621 1.00 0.00 C ATOM 75 O ASP A 6 -0.316 -9.591 -7.249 1.00 0.00 O ATOM 76 CB ASP A 6 -1.468 -12.418 -7.852 1.00 0.00 C ATOM 77 CG ASP A 6 -2.799 -13.110 -7.625 1.00 0.00 C ATOM 78 OD1 ASP A 6 -3.315 -13.728 -8.579 1.00 0.00 O ATOM 79 OD2 ASP A 6 -3.321 -13.034 -6.494 1.00 0.00 O ATOM 0 H ASP A 6 -1.041 -10.713 -10.574 1.00 0.00 H new ATOM 0 HA ASP A 6 -2.622 -11.039 -9.023 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -0.812 -13.076 -8.422 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.985 -12.241 -6.891 1.00 0.00 H new ATOM 84 N CYS A 7 -2.548 -9.311 -7.220 1.00 0.00 N ATOM 85 CA CYS A 7 -2.493 -8.180 -6.300 1.00 0.00 C ATOM 86 C CYS A 7 -2.984 -8.564 -4.903 1.00 0.00 C ATOM 87 O CYS A 7 -4.183 -8.704 -4.664 1.00 0.00 O ATOM 88 CB CYS A 7 -3.303 -7.002 -6.859 1.00 0.00 C ATOM 89 SG CYS A 7 -5.036 -6.924 -6.299 1.00 0.00 S ATOM 0 H CYS A 7 -3.488 -9.573 -7.515 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.451 -7.876 -6.204 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.805 -6.073 -6.580 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.291 -7.056 -7.948 1.00 0.00 H new ATOM 94 N PRO A 8 -2.047 -8.742 -3.960 1.00 0.00 N ATOM 95 CA PRO A 8 -2.355 -9.107 -2.584 1.00 0.00 C ATOM 96 C PRO A 8 -2.656 -7.882 -1.725 1.00 0.00 C ATOM 97 O PRO A 8 -2.305 -6.760 -2.088 1.00 0.00 O ATOM 98 CB PRO A 8 -1.071 -9.799 -2.098 1.00 0.00 C ATOM 99 CG PRO A 8 -0.042 -9.598 -3.175 1.00 0.00 C ATOM 100 CD PRO A 8 -0.606 -8.608 -4.158 1.00 0.00 C ATOM 0 HA PRO A 8 -3.242 -9.737 -2.515 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.733 -9.371 -1.154 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.246 -10.860 -1.922 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.891 -9.228 -2.750 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.186 -10.542 -3.669 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.262 -7.594 -3.954 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.315 -8.843 -5.182 1.00 0.00 H new ATOM 108 N GLU A 9 -3.305 -8.104 -0.585 1.00 0.00 N ATOM 109 CA GLU A 9 -3.653 -7.023 0.328 1.00 0.00 C ATOM 110 C GLU A 9 -2.664 -5.870 0.209 1.00 0.00 C ATOM 111 O GLU A 9 -1.460 -6.081 0.059 1.00 0.00 O ATOM 112 CB GLU A 9 -3.678 -7.535 1.768 1.00 0.00 C ATOM 113 CG GLU A 9 -5.079 -7.811 2.293 1.00 0.00 C ATOM 114 CD GLU A 9 -5.238 -9.227 2.811 1.00 0.00 C ATOM 115 OE1 GLU A 9 -4.371 -9.676 3.588 1.00 0.00 O ATOM 116 OE2 GLU A 9 -6.230 -9.888 2.436 1.00 0.00 O ATOM 0 H GLU A 9 -3.601 -9.028 -0.272 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.644 -6.659 0.058 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.089 -8.450 1.829 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.195 -6.802 2.414 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.309 -7.107 3.093 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.803 -7.636 1.497 1.00 0.00 H new ATOM 123 N CYS A 10 -3.185 -4.651 0.273 1.00 0.00 N ATOM 124 CA CYS A 10 -2.353 -3.456 0.169 1.00 0.00 C ATOM 125 C CYS A 10 -0.978 -3.690 0.785 1.00 0.00 C ATOM 126 O CYS A 10 -0.850 -3.898 1.993 1.00 0.00 O ATOM 127 CB CYS A 10 -3.037 -2.263 0.843 1.00 0.00 C ATOM 128 SG CYS A 10 -2.032 -0.741 0.860 1.00 0.00 S ATOM 0 H CYS A 10 -4.180 -4.463 0.396 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.220 -3.233 -0.890 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -3.977 -2.059 0.330 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.286 -2.533 1.869 1.00 0.00 H new ATOM 133 N THR A 11 0.046 -3.650 -0.060 1.00 0.00 N ATOM 134 CA THR A 11 1.421 -3.851 0.376 1.00 0.00 C ATOM 135 C THR A 11 2.326 -2.825 -0.293 1.00 0.00 C ATOM 136 O THR A 11 1.931 -1.674 -0.471 1.00 0.00 O ATOM 137 CB THR A 11 1.870 -5.279 0.046 1.00 0.00 C ATOM 138 OG1 THR A 11 3.279 -5.403 0.127 1.00 0.00 O ATOM 139 CG2 THR A 11 1.444 -5.738 -1.332 1.00 0.00 C ATOM 0 H THR A 11 -0.053 -3.478 -1.061 1.00 0.00 H new ATOM 0 HA THR A 11 1.485 -3.715 1.456 1.00 0.00 H new ATOM 0 HB THR A 11 1.381 -5.909 0.789 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.539 -6.323 -0.086 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.794 -6.756 -1.501 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.357 -5.711 -1.404 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.874 -5.077 -2.085 1.00 0.00 H new ATOM 147 N LEU A 12 3.528 -3.234 -0.670 1.00 0.00 N ATOM 148 CA LEU A 12 4.459 -2.328 -1.324 1.00 0.00 C ATOM 149 C LEU A 12 4.726 -2.783 -2.754 1.00 0.00 C ATOM 150 O LEU A 12 4.831 -3.980 -3.024 1.00 0.00 O ATOM 151 CB LEU A 12 5.761 -2.242 -0.531 1.00 0.00 C ATOM 152 CG LEU A 12 5.760 -1.216 0.609 1.00 0.00 C ATOM 153 CD1 LEU A 12 4.387 -1.121 1.246 1.00 0.00 C ATOM 154 CD2 LEU A 12 6.800 -1.585 1.650 1.00 0.00 C ATOM 0 H LEU A 12 3.880 -4.182 -0.535 1.00 0.00 H new ATOM 0 HA LEU A 12 4.013 -1.334 -1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.981 -3.225 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.572 -1.999 -1.218 1.00 0.00 H new ATOM 0 HG LEU A 12 6.012 -0.241 0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.410 -0.387 2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.658 -0.813 0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.105 -2.094 1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.788 -0.848 2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.573 -2.570 2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.787 -1.602 1.188 1.00 0.00 H new ATOM 166 N GLN A 13 4.824 -1.825 -3.669 1.00 0.00 N ATOM 167 CA GLN A 13 5.065 -2.141 -5.070 1.00 0.00 C ATOM 168 C GLN A 13 6.503 -1.925 -5.435 1.00 0.00 C ATOM 169 O GLN A 13 6.833 -1.256 -6.415 1.00 0.00 O ATOM 170 CB GLN A 13 4.189 -1.311 -5.961 1.00 0.00 C ATOM 171 CG GLN A 13 2.801 -1.881 -6.076 1.00 0.00 C ATOM 172 CD GLN A 13 2.527 -2.502 -7.428 1.00 0.00 C ATOM 173 OE1 GLN A 13 2.297 -1.803 -8.416 1.00 0.00 O ATOM 174 NE2 GLN A 13 2.550 -3.829 -7.473 1.00 0.00 N ATOM 0 H GLN A 13 4.741 -0.829 -3.466 1.00 0.00 H new ATOM 0 HA GLN A 13 4.823 -3.194 -5.214 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.133 -0.295 -5.570 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.638 -1.246 -6.952 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.658 -2.634 -5.301 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.073 -1.091 -5.891 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.745 -4.365 -6.627 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.372 -4.313 -8.353 1.00 0.00 H new ATOM 183 N GLU A 14 7.332 -2.498 -4.612 1.00 0.00 N ATOM 184 CA GLU A 14 8.781 -2.418 -4.753 1.00 0.00 C ATOM 185 C GLU A 14 9.178 -1.600 -5.965 1.00 0.00 C ATOM 186 O GLU A 14 8.831 -1.918 -7.103 1.00 0.00 O ATOM 187 CB GLU A 14 9.411 -3.800 -4.847 1.00 0.00 C ATOM 188 CG GLU A 14 10.683 -3.943 -4.024 1.00 0.00 C ATOM 189 CD GLU A 14 10.807 -5.315 -3.387 1.00 0.00 C ATOM 190 OE1 GLU A 14 11.006 -6.299 -4.131 1.00 0.00 O ATOM 191 OE2 GLU A 14 10.704 -5.403 -2.146 1.00 0.00 O ATOM 0 H GLU A 14 7.029 -3.046 -3.807 1.00 0.00 H new ATOM 0 HA GLU A 14 9.153 -1.922 -3.857 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.687 -4.544 -4.515 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.636 -4.018 -5.891 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.548 -3.762 -4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.696 -3.181 -3.245 1.00 0.00 H new ATOM 198 N ASN A 15 9.906 -0.547 -5.695 1.00 0.00 N ATOM 199 CA ASN A 15 10.379 0.360 -6.722 1.00 0.00 C ATOM 200 C ASN A 15 11.106 -0.384 -7.834 1.00 0.00 C ATOM 201 O ASN A 15 12.114 -1.049 -7.593 1.00 0.00 O ATOM 202 CB ASN A 15 11.295 1.388 -6.095 1.00 0.00 C ATOM 203 CG ASN A 15 10.886 2.803 -6.419 1.00 0.00 C ATOM 204 OD1 ASN A 15 11.632 3.754 -5.885 1.00 0.00 O flip ATOM 205 ND2 ASN A 15 9.916 3.037 -7.141 1.00 0.00 N flip ATOM 0 H ASN A 15 10.192 -0.289 -4.751 1.00 0.00 H new ATOM 0 HA ASN A 15 9.517 0.855 -7.169 1.00 0.00 H new ATOM 0 HB2 ASN A 15 11.300 1.254 -5.013 1.00 0.00 H new ATOM 0 HB3 ASN A 15 12.315 1.220 -6.441 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.372 2.267 -7.529 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.657 4.001 -7.351 1.00 0.00 H new ATOM 212 N PRO A 16 10.609 -0.275 -9.075 1.00 0.00 N ATOM 213 CA PRO A 16 11.220 -0.932 -10.223 1.00 0.00 C ATOM 214 C PRO A 16 12.391 -0.135 -10.783 1.00 0.00 C ATOM 215 O PRO A 16 12.830 -0.357 -11.911 1.00 0.00 O ATOM 216 CB PRO A 16 10.074 -0.996 -11.228 1.00 0.00 C ATOM 217 CG PRO A 16 9.232 0.199 -10.922 1.00 0.00 C ATOM 218 CD PRO A 16 9.417 0.504 -9.454 1.00 0.00 C ATOM 0 HA PRO A 16 11.640 -1.906 -9.974 1.00 0.00 H new ATOM 0 HB2 PRO A 16 10.444 -0.967 -12.253 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.505 -1.919 -11.121 1.00 0.00 H new ATOM 0 HG2 PRO A 16 9.533 1.050 -11.534 1.00 0.00 H new ATOM 0 HG3 PRO A 16 8.184 0.000 -11.146 1.00 0.00 H new ATOM 0 HD2 PRO A 16 9.566 1.570 -9.284 1.00 0.00 H new ATOM 0 HD3 PRO A 16 8.545 0.207 -8.872 1.00 0.00 H new ATOM 226 N PHE A 17 12.889 0.795 -9.980 1.00 0.00 N ATOM 227 CA PHE A 17 14.008 1.637 -10.378 1.00 0.00 C ATOM 228 C PHE A 17 15.150 1.527 -9.381 1.00 0.00 C ATOM 229 O PHE A 17 16.290 1.234 -9.741 1.00 0.00 O ATOM 230 CB PHE A 17 13.564 3.095 -10.466 1.00 0.00 C ATOM 231 CG PHE A 17 14.693 4.037 -10.769 1.00 0.00 C ATOM 232 CD1 PHE A 17 15.141 4.210 -12.069 1.00 0.00 C ATOM 233 CD2 PHE A 17 15.310 4.746 -9.751 1.00 0.00 C ATOM 234 CE1 PHE A 17 16.186 5.071 -12.347 1.00 0.00 C ATOM 235 CE2 PHE A 17 16.355 5.609 -10.023 1.00 0.00 C ATOM 236 CZ PHE A 17 16.793 5.771 -11.323 1.00 0.00 C ATOM 0 H PHE A 17 12.533 0.986 -9.043 1.00 0.00 H new ATOM 0 HA PHE A 17 14.353 1.296 -11.354 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.802 3.190 -11.239 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.100 3.385 -9.523 1.00 0.00 H new ATOM 0 HD1 PHE A 17 14.668 3.666 -12.874 1.00 0.00 H new ATOM 0 HD2 PHE A 17 14.971 4.623 -8.733 1.00 0.00 H new ATOM 0 HE1 PHE A 17 16.527 5.196 -13.364 1.00 0.00 H new ATOM 0 HE2 PHE A 17 16.828 6.156 -9.221 1.00 0.00 H new ATOM 0 HZ PHE A 17 17.609 6.444 -11.538 1.00 0.00 H new ATOM 246 N PHE A 18 14.825 1.781 -8.123 1.00 0.00 N ATOM 247 CA PHE A 18 15.801 1.734 -7.045 1.00 0.00 C ATOM 248 C PHE A 18 16.153 0.296 -6.678 1.00 0.00 C ATOM 249 O PHE A 18 17.052 0.054 -5.874 1.00 0.00 O ATOM 250 CB PHE A 18 15.240 2.452 -5.821 1.00 0.00 C ATOM 251 CG PHE A 18 16.202 3.411 -5.184 1.00 0.00 C ATOM 252 CD1 PHE A 18 16.532 4.593 -5.820 1.00 0.00 C ATOM 253 CD2 PHE A 18 16.779 3.130 -3.956 1.00 0.00 C ATOM 254 CE1 PHE A 18 17.420 5.483 -5.244 1.00 0.00 C ATOM 255 CE2 PHE A 18 17.669 4.012 -3.375 1.00 0.00 C ATOM 256 CZ PHE A 18 17.992 5.190 -4.021 1.00 0.00 C ATOM 0 H PHE A 18 13.882 2.025 -7.821 1.00 0.00 H new ATOM 0 HA PHE A 18 16.710 2.229 -7.385 1.00 0.00 H new ATOM 0 HB2 PHE A 18 14.340 2.994 -6.111 1.00 0.00 H new ATOM 0 HB3 PHE A 18 14.940 1.709 -5.082 1.00 0.00 H new ATOM 0 HD1 PHE A 18 16.091 4.824 -6.778 1.00 0.00 H new ATOM 0 HD2 PHE A 18 16.530 2.211 -3.447 1.00 0.00 H new ATOM 0 HE1 PHE A 18 17.666 6.405 -5.749 1.00 0.00 H new ATOM 0 HE2 PHE A 18 18.112 3.781 -2.417 1.00 0.00 H new ATOM 0 HZ PHE A 18 18.690 5.880 -3.571 1.00 0.00 H new ATOM 266 N SER A 19 15.430 -0.652 -7.261 1.00 0.00 N ATOM 267 CA SER A 19 15.655 -2.065 -6.985 1.00 0.00 C ATOM 268 C SER A 19 17.073 -2.491 -7.351 1.00 0.00 C ATOM 269 O SER A 19 17.383 -2.717 -8.521 1.00 0.00 O ATOM 270 CB SER A 19 14.638 -2.917 -7.747 1.00 0.00 C ATOM 271 OG SER A 19 14.206 -4.020 -6.967 1.00 0.00 O ATOM 0 H SER A 19 14.682 -0.467 -7.929 1.00 0.00 H new ATOM 0 HA SER A 19 15.527 -2.219 -5.914 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.780 -2.304 -8.022 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.083 -3.276 -8.675 1.00 0.00 H new ATOM 0 HG SER A 19 13.556 -4.547 -7.477 1.00 0.00 H new ATOM 277 N GLN A 20 17.929 -2.610 -6.339 1.00 0.00 N ATOM 278 CA GLN A 20 19.311 -3.024 -6.551 1.00 0.00 C ATOM 279 C GLN A 20 19.570 -4.369 -5.875 1.00 0.00 C ATOM 280 O GLN A 20 18.689 -4.920 -5.216 1.00 0.00 O ATOM 281 CB GLN A 20 20.278 -1.973 -6.002 1.00 0.00 C ATOM 282 CG GLN A 20 19.611 -0.663 -5.623 1.00 0.00 C ATOM 283 CD GLN A 20 20.514 0.222 -4.789 1.00 0.00 C ATOM 284 OE1 GLN A 20 20.299 0.393 -3.589 1.00 0.00 O ATOM 285 NE2 GLN A 20 21.536 0.790 -5.420 1.00 0.00 N ATOM 0 H GLN A 20 17.689 -2.425 -5.365 1.00 0.00 H new ATOM 0 HA GLN A 20 19.477 -3.126 -7.623 1.00 0.00 H new ATOM 0 HB2 GLN A 20 20.782 -2.380 -5.125 1.00 0.00 H new ATOM 0 HB3 GLN A 20 21.047 -1.775 -6.749 1.00 0.00 H new ATOM 0 HG2 GLN A 20 19.320 -0.131 -6.529 1.00 0.00 H new ATOM 0 HG3 GLN A 20 18.696 -0.871 -5.068 1.00 0.00 H new ATOM 0 HE21 GLN A 20 21.678 0.621 -6.416 1.00 0.00 H new ATOM 0 HE22 GLN A 20 22.179 1.395 -4.908 1.00 0.00 H new ATOM 294 N PRO A 21 20.788 -4.913 -6.024 1.00 0.00 N ATOM 295 CA PRO A 21 21.158 -6.195 -5.415 1.00 0.00 C ATOM 296 C PRO A 21 21.310 -6.079 -3.904 1.00 0.00 C ATOM 297 O PRO A 21 22.383 -6.324 -3.355 1.00 0.00 O ATOM 298 CB PRO A 21 22.503 -6.519 -6.064 1.00 0.00 C ATOM 299 CG PRO A 21 23.074 -5.190 -6.420 1.00 0.00 C ATOM 300 CD PRO A 21 21.901 -4.322 -6.786 1.00 0.00 C ATOM 0 HA PRO A 21 20.401 -6.963 -5.573 1.00 0.00 H new ATOM 0 HB2 PRO A 21 23.155 -7.060 -5.378 1.00 0.00 H new ATOM 0 HB3 PRO A 21 22.377 -7.146 -6.946 1.00 0.00 H new ATOM 0 HG2 PRO A 21 23.628 -4.766 -5.582 1.00 0.00 H new ATOM 0 HG3 PRO A 21 23.772 -5.275 -7.253 1.00 0.00 H new ATOM 0 HD2 PRO A 21 22.069 -3.281 -6.509 1.00 0.00 H new ATOM 0 HD3 PRO A 21 21.708 -4.339 -7.859 1.00 0.00 H new ATOM 308 N GLY A 22 20.226 -5.695 -3.242 1.00 0.00 N ATOM 309 CA GLY A 22 20.251 -5.540 -1.801 1.00 0.00 C ATOM 310 C GLY A 22 19.294 -4.474 -1.317 1.00 0.00 C ATOM 311 O GLY A 22 19.062 -4.340 -0.115 1.00 0.00 O ATOM 0 H GLY A 22 19.328 -5.488 -3.679 1.00 0.00 H new ATOM 0 HA2 GLY A 22 19.998 -6.491 -1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 22 21.263 -5.287 -1.483 1.00 0.00 H new ATOM 315 N ALA A 23 18.739 -3.706 -2.249 1.00 0.00 N ATOM 316 CA ALA A 23 17.811 -2.647 -1.891 1.00 0.00 C ATOM 317 C ALA A 23 16.747 -2.448 -2.942 1.00 0.00 C ATOM 318 O ALA A 23 16.958 -1.814 -3.976 1.00 0.00 O ATOM 319 CB ALA A 23 18.567 -1.360 -1.633 1.00 0.00 C ATOM 0 H ALA A 23 18.916 -3.798 -3.249 1.00 0.00 H new ATOM 0 HA ALA A 23 17.299 -2.946 -0.976 1.00 0.00 H new ATOM 0 HB1 ALA A 23 17.863 -0.572 -1.365 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.272 -1.510 -0.815 1.00 0.00 H new ATOM 0 HB3 ALA A 23 19.111 -1.071 -2.532 1.00 0.00 H new ATOM 325 N PRO A 24 15.585 -3.025 -2.667 1.00 0.00 N ATOM 326 CA PRO A 24 14.425 -2.996 -3.518 1.00 0.00 C ATOM 327 C PRO A 24 13.351 -2.043 -3.014 1.00 0.00 C ATOM 328 O PRO A 24 12.379 -2.460 -2.389 1.00 0.00 O ATOM 329 CB PRO A 24 13.973 -4.445 -3.396 1.00 0.00 C ATOM 330 CG PRO A 24 14.354 -4.855 -1.996 1.00 0.00 C ATOM 331 CD PRO A 24 15.303 -3.813 -1.475 1.00 0.00 C ATOM 0 HA PRO A 24 14.624 -2.647 -4.531 1.00 0.00 H new ATOM 0 HB2 PRO A 24 12.899 -4.538 -3.556 1.00 0.00 H new ATOM 0 HB3 PRO A 24 14.462 -5.075 -4.139 1.00 0.00 H new ATOM 0 HG2 PRO A 24 13.471 -4.924 -1.361 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.824 -5.838 -1.997 1.00 0.00 H new ATOM 0 HD2 PRO A 24 14.852 -3.210 -0.687 1.00 0.00 H new ATOM 0 HD3 PRO A 24 16.207 -4.258 -1.059 1.00 0.00 H new ATOM 339 N ILE A 25 13.550 -0.764 -3.288 1.00 0.00 N ATOM 340 CA ILE A 25 12.639 0.278 -2.888 1.00 0.00 C ATOM 341 C ILE A 25 11.188 -0.094 -3.094 1.00 0.00 C ATOM 342 O ILE A 25 10.870 -1.248 -3.358 1.00 0.00 O ATOM 343 CB ILE A 25 12.994 1.550 -3.638 1.00 0.00 C ATOM 344 CG1 ILE A 25 14.355 1.967 -3.170 1.00 0.00 C ATOM 345 CG2 ILE A 25 11.990 2.649 -3.360 1.00 0.00 C ATOM 346 CD1 ILE A 25 14.413 2.021 -1.674 1.00 0.00 C ATOM 0 H ILE A 25 14.362 -0.423 -3.802 1.00 0.00 H new ATOM 0 HA ILE A 25 12.750 0.434 -1.815 1.00 0.00 H new ATOM 0 HB ILE A 25 12.981 1.369 -4.713 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.102 1.266 -3.542 1.00 0.00 H new ATOM 0 HG13 ILE A 25 14.602 2.945 -3.583 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.271 3.547 -3.911 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.999 2.325 -3.676 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.977 2.868 -2.292 1.00 0.00 H new ATOM 0 HD11 ILE A 25 15.411 2.326 -1.359 1.00 0.00 H new ATOM 0 HD12 ILE A 25 13.681 2.741 -1.307 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.189 1.036 -1.265 1.00 0.00 H new ATOM 358 N LEU A 26 10.298 0.867 -2.874 1.00 0.00 N ATOM 359 CA LEU A 26 8.885 0.586 -2.934 1.00 0.00 C ATOM 360 C LEU A 26 8.018 1.759 -3.301 1.00 0.00 C ATOM 361 O LEU A 26 8.451 2.746 -3.890 1.00 0.00 O ATOM 362 CB LEU A 26 8.515 0.117 -1.554 1.00 0.00 C ATOM 363 CG LEU A 26 9.744 -0.120 -0.702 1.00 0.00 C ATOM 364 CD1 LEU A 26 9.469 0.177 0.754 1.00 0.00 C ATOM 365 CD2 LEU A 26 10.249 -1.543 -0.871 1.00 0.00 C ATOM 0 H LEU A 26 10.535 1.835 -2.655 1.00 0.00 H new ATOM 0 HA LEU A 26 8.711 -0.145 -3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.876 0.859 -1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.936 -0.804 -1.624 1.00 0.00 H new ATOM 0 HG LEU A 26 10.521 0.565 -1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.371 -0.003 1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.168 1.219 0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.669 -0.471 1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.132 -1.692 -0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.471 -2.244 -0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.507 -1.716 -1.916 1.00 0.00 H new ATOM 377 N GLN A 27 6.764 1.598 -2.929 1.00 0.00 N ATOM 378 CA GLN A 27 5.742 2.598 -3.185 1.00 0.00 C ATOM 379 C GLN A 27 4.337 2.022 -2.966 1.00 0.00 C ATOM 380 O GLN A 27 3.495 2.046 -3.861 1.00 0.00 O ATOM 381 CB GLN A 27 5.903 3.132 -4.610 1.00 0.00 C ATOM 382 CG GLN A 27 4.681 3.866 -5.138 1.00 0.00 C ATOM 383 CD GLN A 27 3.914 3.054 -6.163 1.00 0.00 C ATOM 384 OE1 GLN A 27 4.432 2.085 -6.717 1.00 0.00 O ATOM 385 NE2 GLN A 27 2.672 3.447 -6.422 1.00 0.00 N ATOM 0 H GLN A 27 6.423 0.770 -2.440 1.00 0.00 H new ATOM 0 HA GLN A 27 5.865 3.421 -2.481 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.759 3.806 -4.640 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.129 2.299 -5.276 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.021 4.111 -4.306 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.993 4.809 -5.586 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.282 4.256 -5.939 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.108 2.939 -7.104 1.00 0.00 H new ATOM 394 N CYS A 28 4.108 1.509 -1.754 1.00 0.00 N ATOM 395 CA CYS A 28 2.824 0.914 -1.353 1.00 0.00 C ATOM 396 C CYS A 28 1.946 0.534 -2.545 1.00 0.00 C ATOM 397 O CYS A 28 1.542 1.388 -3.333 1.00 0.00 O ATOM 398 CB CYS A 28 2.044 1.865 -0.435 1.00 0.00 C ATOM 399 SG CYS A 28 1.057 1.016 0.848 1.00 0.00 S ATOM 0 H CYS A 28 4.812 1.493 -1.016 1.00 0.00 H new ATOM 0 HA CYS A 28 3.072 -0.002 -0.816 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.746 2.542 0.051 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.379 2.478 -1.044 1.00 0.00 H new ATOM 404 N MET A 29 1.634 -0.754 -2.654 1.00 0.00 N ATOM 405 CA MET A 29 0.787 -1.247 -3.732 1.00 0.00 C ATOM 406 C MET A 29 -0.670 -0.850 -3.505 1.00 0.00 C ATOM 407 O MET A 29 -1.109 0.209 -3.952 1.00 0.00 O ATOM 408 CB MET A 29 0.903 -2.770 -3.848 1.00 0.00 C ATOM 409 CG MET A 29 0.306 -3.326 -5.130 1.00 0.00 C ATOM 410 SD MET A 29 -1.415 -3.830 -4.934 1.00 0.00 S ATOM 411 CE MET A 29 -1.231 -5.602 -4.754 1.00 0.00 C ATOM 0 H MET A 29 1.956 -1.475 -2.008 1.00 0.00 H new ATOM 0 HA MET A 29 1.127 -0.794 -4.663 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.955 -3.052 -3.794 1.00 0.00 H new ATOM 0 HB3 MET A 29 0.405 -3.231 -2.995 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.373 -2.572 -5.914 1.00 0.00 H new ATOM 0 HG3 MET A 29 0.896 -4.181 -5.460 1.00 0.00 H new ATOM 0 HE1 MET A 29 -2.207 -6.052 -4.571 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.805 -6.018 -5.667 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.569 -5.816 -3.915 1.00 0.00 H new ATOM 421 N GLY A 30 -1.417 -1.705 -2.811 1.00 0.00 N ATOM 422 CA GLY A 30 -2.813 -1.419 -2.543 1.00 0.00 C ATOM 423 C GLY A 30 -3.747 -2.392 -3.233 1.00 0.00 C ATOM 424 O GLY A 30 -3.785 -2.464 -4.462 1.00 0.00 O ATOM 0 H GLY A 30 -1.079 -2.589 -2.431 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.988 -1.453 -1.468 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.042 -0.405 -2.871 1.00 0.00 H new ATOM 428 N CYS A 31 -4.501 -3.143 -2.439 1.00 0.00 N ATOM 429 CA CYS A 31 -5.442 -4.117 -2.976 1.00 0.00 C ATOM 430 C CYS A 31 -6.146 -4.865 -1.850 1.00 0.00 C ATOM 431 O CYS A 31 -6.081 -6.092 -1.770 1.00 0.00 O ATOM 432 CB CYS A 31 -4.720 -5.108 -3.891 1.00 0.00 C ATOM 433 SG CYS A 31 -5.235 -5.016 -5.636 1.00 0.00 S ATOM 0 H CYS A 31 -4.479 -3.096 -1.420 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.191 -3.580 -3.558 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.647 -4.928 -3.830 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.895 -6.119 -3.524 1.00 0.00 H new ATOM 438 N CYS A 32 -6.821 -4.117 -0.985 1.00 0.00 N ATOM 439 CA CYS A 32 -7.542 -4.708 0.136 1.00 0.00 C ATOM 440 C CYS A 32 -8.994 -4.979 -0.247 1.00 0.00 C ATOM 441 O CYS A 32 -9.372 -4.846 -1.411 1.00 0.00 O ATOM 442 CB CYS A 32 -7.484 -3.785 1.356 1.00 0.00 C ATOM 443 SG CYS A 32 -6.268 -2.435 1.214 1.00 0.00 S ATOM 0 H CYS A 32 -6.884 -3.100 -1.038 1.00 0.00 H new ATOM 0 HA CYS A 32 -7.064 -5.654 0.390 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.472 -3.354 1.519 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -7.247 -4.381 2.238 1.00 0.00 H new ATOM 448 N PHE A 33 -9.803 -5.358 0.737 1.00 0.00 N ATOM 449 CA PHE A 33 -11.212 -5.645 0.492 1.00 0.00 C ATOM 450 C PHE A 33 -11.950 -5.919 1.799 1.00 0.00 C ATOM 451 O PHE A 33 -11.338 -6.013 2.863 1.00 0.00 O ATOM 452 CB PHE A 33 -11.353 -6.841 -0.448 1.00 0.00 C ATOM 453 CG PHE A 33 -10.165 -7.759 -0.432 1.00 0.00 C ATOM 454 CD1 PHE A 33 -9.664 -8.242 0.766 1.00 0.00 C ATOM 455 CD2 PHE A 33 -9.549 -8.138 -1.614 1.00 0.00 C ATOM 456 CE1 PHE A 33 -8.569 -9.086 0.785 1.00 0.00 C ATOM 457 CE2 PHE A 33 -8.453 -8.981 -1.601 1.00 0.00 C ATOM 458 CZ PHE A 33 -7.964 -9.456 -0.400 1.00 0.00 C ATOM 0 H PHE A 33 -9.509 -5.473 1.707 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.659 -4.768 0.023 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -12.243 -7.407 -0.172 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -11.508 -6.478 -1.464 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -10.134 -7.956 1.695 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -9.929 -7.771 -2.556 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -8.187 -9.455 1.725 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.980 -9.268 -2.529 1.00 0.00 H new ATOM 0 HZ PHE A 33 -7.109 -10.116 -0.387 1.00 0.00 H new ATOM 468 N SER A 34 -13.271 -6.043 1.710 1.00 0.00 N ATOM 469 CA SER A 34 -14.096 -6.303 2.883 1.00 0.00 C ATOM 470 C SER A 34 -15.567 -6.038 2.582 1.00 0.00 C ATOM 471 O SER A 34 -16.297 -5.511 3.419 1.00 0.00 O ATOM 472 CB SER A 34 -13.642 -5.429 4.053 1.00 0.00 C ATOM 473 OG SER A 34 -13.057 -6.211 5.080 1.00 0.00 O ATOM 0 H SER A 34 -13.792 -5.967 0.837 1.00 0.00 H new ATOM 0 HA SER A 34 -13.980 -7.353 3.153 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.923 -4.690 3.701 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.494 -4.879 4.452 1.00 0.00 H new ATOM 0 HG SER A 34 -12.165 -6.505 4.799 1.00 0.00 H new ATOM 479 N ARG A 35 -15.993 -6.407 1.379 1.00 0.00 N ATOM 480 CA ARG A 35 -17.376 -6.209 0.966 1.00 0.00 C ATOM 481 C ARG A 35 -17.901 -4.859 1.443 1.00 0.00 C ATOM 482 O ARG A 35 -18.342 -4.721 2.583 1.00 0.00 O ATOM 483 CB ARG A 35 -18.261 -7.330 1.513 1.00 0.00 C ATOM 484 CG ARG A 35 -19.535 -7.548 0.712 1.00 0.00 C ATOM 485 CD ARG A 35 -20.527 -6.412 0.913 1.00 0.00 C ATOM 486 NE ARG A 35 -21.748 -6.863 1.573 1.00 0.00 N ATOM 487 CZ ARG A 35 -22.810 -6.085 1.769 1.00 0.00 C ATOM 488 NH1 ARG A 35 -22.792 -4.823 1.368 1.00 0.00 N ATOM 489 NH2 ARG A 35 -23.890 -6.570 2.366 1.00 0.00 N ATOM 0 H ARG A 35 -15.400 -6.845 0.674 1.00 0.00 H new ATOM 0 HA ARG A 35 -17.406 -6.228 -0.123 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -17.689 -8.258 1.529 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -18.526 -7.101 2.545 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -19.289 -7.634 -0.346 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -19.995 -8.490 1.010 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -20.062 -5.626 1.508 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -20.778 -5.974 -0.053 1.00 0.00 H new ATOM 0 HE ARG A 35 -21.790 -7.828 1.902 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -21.963 -4.446 0.908 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -23.607 -4.228 1.519 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -23.908 -7.541 2.676 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -24.702 -5.972 2.515 1.00 0.00 H new ATOM 503 N ALA A 36 -17.855 -3.865 0.561 1.00 0.00 N ATOM 504 CA ALA A 36 -18.332 -2.529 0.894 1.00 0.00 C ATOM 505 C ALA A 36 -19.837 -2.535 1.133 1.00 0.00 C ATOM 506 O ALA A 36 -20.586 -3.212 0.429 1.00 0.00 O ATOM 507 CB ALA A 36 -17.980 -1.547 -0.214 1.00 0.00 C ATOM 0 H ALA A 36 -17.493 -3.960 -0.388 1.00 0.00 H new ATOM 0 HA ALA A 36 -17.839 -2.212 1.813 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -18.344 -0.554 0.051 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -16.898 -1.515 -0.342 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -18.446 -1.867 -1.146 1.00 0.00 H new ATOM 513 N TYR A 37 -20.276 -1.778 2.131 1.00 0.00 N ATOM 514 CA TYR A 37 -21.692 -1.698 2.459 1.00 0.00 C ATOM 515 C TYR A 37 -22.074 -0.284 2.879 1.00 0.00 C ATOM 516 O TYR A 37 -22.817 -0.090 3.840 1.00 0.00 O ATOM 517 CB TYR A 37 -22.037 -2.683 3.576 1.00 0.00 C ATOM 518 CG TYR A 37 -23.451 -2.541 4.089 1.00 0.00 C ATOM 519 CD1 TYR A 37 -24.522 -2.433 3.210 1.00 0.00 C ATOM 520 CD2 TYR A 37 -23.716 -2.512 5.453 1.00 0.00 C ATOM 521 CE1 TYR A 37 -25.816 -2.301 3.676 1.00 0.00 C ATOM 522 CE2 TYR A 37 -25.008 -2.380 5.926 1.00 0.00 C ATOM 523 CZ TYR A 37 -26.053 -2.275 5.032 1.00 0.00 C ATOM 524 OH TYR A 37 -27.341 -2.144 5.498 1.00 0.00 O ATOM 0 H TYR A 37 -19.672 -1.212 2.726 1.00 0.00 H new ATOM 0 HA TYR A 37 -22.260 -1.960 1.566 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -21.892 -3.700 3.211 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -21.342 -2.539 4.404 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -24.340 -2.453 2.146 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -22.899 -2.594 6.155 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -26.638 -2.219 2.980 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -25.198 -2.359 6.989 1.00 0.00 H new ATOM 0 HH TYR A 37 -27.336 -2.144 6.478 1.00 0.00 H new ATOM 534 N PRO A 38 -21.572 0.727 2.155 1.00 0.00 N ATOM 535 CA PRO A 38 -21.867 2.131 2.452 1.00 0.00 C ATOM 536 C PRO A 38 -23.361 2.429 2.383 1.00 0.00 C ATOM 537 O PRO A 38 -24.185 1.515 2.342 1.00 0.00 O ATOM 538 CB PRO A 38 -21.119 2.904 1.358 1.00 0.00 C ATOM 539 CG PRO A 38 -20.840 1.901 0.289 1.00 0.00 C ATOM 540 CD PRO A 38 -20.686 0.583 0.991 1.00 0.00 C ATOM 0 HA PRO A 38 -21.561 2.403 3.462 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -21.722 3.728 0.977 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -20.195 3.336 1.743 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -21.654 1.865 -0.435 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -19.935 2.158 -0.261 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -20.985 -0.251 0.356 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -19.653 0.402 1.289 1.00 0.00 H new ATOM 548 N THR A 39 -23.703 3.711 2.367 1.00 0.00 N ATOM 549 CA THR A 39 -25.098 4.126 2.300 1.00 0.00 C ATOM 550 C THR A 39 -25.606 4.085 0.862 1.00 0.00 C ATOM 551 O THR A 39 -24.833 4.231 -0.084 1.00 0.00 O ATOM 552 CB THR A 39 -25.258 5.534 2.874 1.00 0.00 C ATOM 553 OG1 THR A 39 -26.538 6.060 2.567 1.00 0.00 O ATOM 554 CG2 THR A 39 -24.224 6.511 2.361 1.00 0.00 C ATOM 0 H THR A 39 -23.034 4.480 2.399 1.00 0.00 H new ATOM 0 HA THR A 39 -25.691 3.431 2.894 1.00 0.00 H new ATOM 0 HB THR A 39 -25.126 5.423 3.950 1.00 0.00 H new ATOM 0 HG1 THR A 39 -26.621 6.961 2.945 1.00 0.00 H new ATOM 0 HG21 THR A 39 -24.395 7.490 2.808 1.00 0.00 H new ATOM 0 HG22 THR A 39 -23.227 6.160 2.628 1.00 0.00 H new ATOM 0 HG23 THR A 39 -24.303 6.588 1.277 1.00 0.00 H new ATOM 562 N PRO A 40 -26.920 3.887 0.682 1.00 0.00 N ATOM 563 CA PRO A 40 -27.546 3.826 -0.632 1.00 0.00 C ATOM 564 C PRO A 40 -27.918 5.207 -1.156 1.00 0.00 C ATOM 565 O PRO A 40 -29.061 5.445 -1.546 1.00 0.00 O ATOM 566 CB PRO A 40 -28.813 2.989 -0.390 1.00 0.00 C ATOM 567 CG PRO A 40 -28.920 2.797 1.097 1.00 0.00 C ATOM 568 CD PRO A 40 -27.908 3.705 1.742 1.00 0.00 C ATOM 0 HA PRO A 40 -26.877 3.403 -1.381 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -29.695 3.498 -0.780 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -28.747 2.029 -0.901 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -29.926 3.036 1.443 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -28.729 1.758 1.365 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -28.351 4.652 2.050 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -27.469 3.255 2.632 1.00 0.00 H new ATOM 576 N LEU A 41 -26.949 6.118 -1.158 1.00 0.00 N ATOM 577 CA LEU A 41 -27.181 7.478 -1.631 1.00 0.00 C ATOM 578 C LEU A 41 -28.592 7.940 -1.275 1.00 0.00 C ATOM 579 O LEU A 41 -29.181 7.470 -0.301 1.00 0.00 O ATOM 580 CB LEU A 41 -26.965 7.561 -3.144 1.00 0.00 C ATOM 581 CG LEU A 41 -25.611 7.047 -3.633 1.00 0.00 C ATOM 582 CD1 LEU A 41 -25.775 5.725 -4.369 1.00 0.00 C ATOM 583 CD2 LEU A 41 -24.939 8.079 -4.527 1.00 0.00 C ATOM 0 H LEU A 41 -25.997 5.939 -0.838 1.00 0.00 H new ATOM 0 HA LEU A 41 -26.467 8.137 -1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -27.753 6.994 -3.640 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -27.076 8.600 -3.455 1.00 0.00 H new ATOM 0 HG LEU A 41 -24.973 6.879 -2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -24.801 5.375 -4.710 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -26.212 4.986 -3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -26.431 5.866 -5.228 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -23.976 7.696 -4.865 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -25.573 8.281 -5.390 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -24.785 9.001 -3.966 1.00 0.00 H new ATOM 595 N ARG A 42 -29.129 8.859 -2.071 1.00 0.00 N ATOM 596 CA ARG A 42 -30.471 9.381 -1.839 1.00 0.00 C ATOM 597 C ARG A 42 -31.448 8.846 -2.882 1.00 0.00 C ATOM 598 O ARG A 42 -32.637 8.683 -2.607 1.00 0.00 O ATOM 599 CB ARG A 42 -30.452 10.910 -1.873 1.00 0.00 C ATOM 600 CG ARG A 42 -29.839 11.483 -3.141 1.00 0.00 C ATOM 601 CD ARG A 42 -30.908 11.929 -4.127 1.00 0.00 C ATOM 602 NE ARG A 42 -30.813 13.354 -4.432 1.00 0.00 N ATOM 603 CZ ARG A 42 -31.462 14.300 -3.761 1.00 0.00 C ATOM 604 NH1 ARG A 42 -32.263 13.975 -2.755 1.00 0.00 N ATOM 605 NH2 ARG A 42 -31.311 15.575 -4.096 1.00 0.00 N ATOM 0 H ARG A 42 -28.656 9.257 -2.882 1.00 0.00 H new ATOM 0 HA ARG A 42 -30.804 9.050 -0.855 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -31.472 11.280 -1.773 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -29.894 11.277 -1.012 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -29.201 12.330 -2.887 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -29.202 10.733 -3.609 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -30.813 11.354 -5.048 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -31.894 11.712 -3.716 1.00 0.00 H new ATOM 0 HE ARG A 42 -30.213 13.640 -5.206 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -32.383 12.996 -2.494 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -32.759 14.704 -2.242 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -30.696 15.830 -4.869 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -31.810 16.300 -3.580 1.00 0.00 H new ATOM 619 N SER A 43 -30.937 8.576 -4.077 1.00 0.00 N ATOM 620 CA SER A 43 -31.761 8.058 -5.163 1.00 0.00 C ATOM 621 C SER A 43 -30.966 7.987 -6.461 1.00 0.00 C ATOM 622 O SER A 43 -31.159 7.080 -7.270 1.00 0.00 O ATOM 623 CB SER A 43 -32.998 8.937 -5.358 1.00 0.00 C ATOM 624 OG SER A 43 -34.101 8.437 -4.624 1.00 0.00 O ATOM 0 H SER A 43 -29.955 8.707 -4.319 1.00 0.00 H new ATOM 0 HA SER A 43 -32.079 7.050 -4.895 1.00 0.00 H new ATOM 0 HB2 SER A 43 -32.777 9.956 -5.040 1.00 0.00 H new ATOM 0 HB3 SER A 43 -33.252 8.982 -6.417 1.00 0.00 H new ATOM 0 HG SER A 43 -33.901 8.477 -3.665 1.00 0.00 H new ATOM 630 N LYS A 44 -30.074 8.952 -6.653 1.00 0.00 N ATOM 631 CA LYS A 44 -29.254 8.999 -7.856 1.00 0.00 C ATOM 632 C LYS A 44 -30.115 9.275 -9.082 1.00 0.00 C ATOM 633 O LYS A 44 -29.676 9.092 -10.218 1.00 0.00 O ATOM 634 CB LYS A 44 -28.498 7.682 -8.036 1.00 0.00 C ATOM 635 CG LYS A 44 -27.215 7.824 -8.837 1.00 0.00 C ATOM 636 CD LYS A 44 -26.195 8.687 -8.111 1.00 0.00 C ATOM 637 CE LYS A 44 -25.406 9.550 -9.083 1.00 0.00 C ATOM 638 NZ LYS A 44 -24.312 8.787 -9.746 1.00 0.00 N ATOM 0 H LYS A 44 -29.901 9.710 -5.993 1.00 0.00 H new ATOM 0 HA LYS A 44 -28.533 9.809 -7.746 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -28.261 7.272 -7.055 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -29.150 6.963 -8.533 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -26.791 6.837 -9.024 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -27.439 8.264 -9.809 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -26.704 9.324 -7.387 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -25.511 8.050 -7.550 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -26.079 9.951 -9.841 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -24.983 10.402 -8.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -23.800 9.412 -10.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -23.655 8.426 -9.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -24.717 7.989 -10.276 1.00 0.00 H new ATOM 652 N LYS A 45 -31.348 9.714 -8.844 1.00 0.00 N ATOM 653 CA LYS A 45 -32.276 10.016 -9.927 1.00 0.00 C ATOM 654 C LYS A 45 -31.978 11.381 -10.535 1.00 0.00 C ATOM 655 O LYS A 45 -32.273 12.417 -9.939 1.00 0.00 O ATOM 656 CB LYS A 45 -33.716 9.971 -9.417 1.00 0.00 C ATOM 657 CG LYS A 45 -34.041 11.067 -8.417 1.00 0.00 C ATOM 658 CD LYS A 45 -35.375 10.819 -7.732 1.00 0.00 C ATOM 659 CE LYS A 45 -35.357 11.296 -6.289 1.00 0.00 C ATOM 660 NZ LYS A 45 -34.779 12.662 -6.165 1.00 0.00 N ATOM 0 H LYS A 45 -31.727 9.868 -7.910 1.00 0.00 H new ATOM 0 HA LYS A 45 -32.150 9.261 -10.703 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -34.396 10.051 -10.265 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -33.898 9.002 -8.953 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -33.251 11.123 -7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -34.066 12.030 -8.927 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -36.166 11.334 -8.277 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -35.608 9.755 -7.762 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -36.372 11.294 -5.893 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -34.777 10.600 -5.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -35.095 13.093 -5.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -33.741 12.602 -6.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -35.097 13.247 -6.964 1.00 0.00 H new ATOM 674 N THR A 46 -31.390 11.373 -11.726 1.00 0.00 N ATOM 675 CA THR A 46 -31.047 12.607 -12.423 1.00 0.00 C ATOM 676 C THR A 46 -30.125 12.318 -13.603 1.00 0.00 C ATOM 677 O THR A 46 -29.621 11.205 -13.749 1.00 0.00 O ATOM 678 CB THR A 46 -30.381 13.593 -11.458 1.00 0.00 C ATOM 679 OG1 THR A 46 -31.088 14.822 -11.433 1.00 0.00 O ATOM 680 CG2 THR A 46 -28.937 13.902 -11.803 1.00 0.00 C ATOM 0 H THR A 46 -31.140 10.522 -12.230 1.00 0.00 H new ATOM 0 HA THR A 46 -31.965 13.055 -12.804 1.00 0.00 H new ATOM 0 HB THR A 46 -30.403 13.099 -10.487 1.00 0.00 H new ATOM 0 HG1 THR A 46 -30.650 15.439 -10.810 1.00 0.00 H new ATOM 0 HG21 THR A 46 -28.532 14.606 -11.076 1.00 0.00 H new ATOM 0 HG22 THR A 46 -28.353 12.982 -11.781 1.00 0.00 H new ATOM 0 HG23 THR A 46 -28.887 14.340 -12.800 1.00 0.00 H new ATOM 688 N MET A 47 -29.907 13.327 -14.440 1.00 0.00 N ATOM 689 CA MET A 47 -29.042 13.178 -15.605 1.00 0.00 C ATOM 690 C MET A 47 -27.693 12.590 -15.204 1.00 0.00 C ATOM 691 O MET A 47 -27.468 12.263 -14.038 1.00 0.00 O ATOM 692 CB MET A 47 -28.837 14.528 -16.294 1.00 0.00 C ATOM 693 CG MET A 47 -28.965 15.717 -15.356 1.00 0.00 C ATOM 694 SD MET A 47 -30.611 16.451 -15.388 1.00 0.00 S ATOM 695 CE MET A 47 -30.284 18.040 -14.632 1.00 0.00 C ATOM 0 H MET A 47 -30.317 14.255 -14.334 1.00 0.00 H new ATOM 0 HA MET A 47 -29.527 12.495 -16.302 1.00 0.00 H new ATOM 0 HB2 MET A 47 -27.849 14.545 -16.755 1.00 0.00 H new ATOM 0 HB3 MET A 47 -29.566 14.630 -17.098 1.00 0.00 H new ATOM 0 HG2 MET A 47 -28.732 15.400 -14.339 1.00 0.00 H new ATOM 0 HG3 MET A 47 -28.229 16.473 -15.631 1.00 0.00 H new ATOM 0 HE1 MET A 47 -31.208 18.615 -14.580 1.00 0.00 H new ATOM 0 HE2 MET A 47 -29.892 17.891 -13.626 1.00 0.00 H new ATOM 0 HE3 MET A 47 -29.552 18.583 -15.229 1.00 0.00 H new ATOM 705 N LEU A 48 -26.799 12.459 -16.179 1.00 0.00 N ATOM 706 CA LEU A 48 -25.471 11.911 -15.929 1.00 0.00 C ATOM 707 C LEU A 48 -24.409 12.680 -16.708 1.00 0.00 C ATOM 708 O LEU A 48 -24.724 13.441 -17.623 1.00 0.00 O ATOM 709 CB LEU A 48 -25.422 10.429 -16.313 1.00 0.00 C ATOM 710 CG LEU A 48 -25.515 10.145 -17.814 1.00 0.00 C ATOM 711 CD1 LEU A 48 -24.225 10.541 -18.514 1.00 0.00 C ATOM 712 CD2 LEU A 48 -25.825 8.675 -18.061 1.00 0.00 C ATOM 0 H LEU A 48 -26.970 12.725 -17.149 1.00 0.00 H new ATOM 0 HA LEU A 48 -25.263 12.011 -14.864 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -24.493 10.002 -15.935 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -26.239 9.912 -15.810 1.00 0.00 H new ATOM 0 HG LEU A 48 -26.328 10.743 -18.226 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -24.311 10.332 -19.580 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -24.043 11.606 -18.367 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -23.395 9.970 -18.098 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -25.887 8.492 -19.134 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -25.034 8.059 -17.633 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -26.776 8.420 -17.593 1.00 0.00 H new ATOM 724 N VAL A 49 -23.150 12.469 -16.339 1.00 0.00 N ATOM 725 CA VAL A 49 -22.036 13.134 -17.003 1.00 0.00 C ATOM 726 C VAL A 49 -20.711 12.474 -16.641 1.00 0.00 C ATOM 727 O VAL A 49 -20.391 12.305 -15.465 1.00 0.00 O ATOM 728 CB VAL A 49 -21.968 14.630 -16.641 1.00 0.00 C ATOM 729 CG1 VAL A 49 -22.269 14.839 -15.164 1.00 0.00 C ATOM 730 CG2 VAL A 49 -20.608 15.209 -17.002 1.00 0.00 C ATOM 0 H VAL A 49 -22.876 11.842 -15.583 1.00 0.00 H new ATOM 0 HA VAL A 49 -22.208 13.040 -18.075 1.00 0.00 H new ATOM 0 HB VAL A 49 -22.726 15.157 -17.221 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -22.216 15.902 -14.929 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -23.269 14.467 -14.940 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -21.538 14.298 -14.564 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -20.581 16.266 -16.738 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -19.830 14.678 -16.454 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -20.438 15.098 -18.073 1.00 0.00 H new ATOM 740 N GLN A 50 -19.945 12.107 -17.662 1.00 0.00 N ATOM 741 CA GLN A 50 -18.649 11.468 -17.459 1.00 0.00 C ATOM 742 C GLN A 50 -18.755 10.313 -16.470 1.00 0.00 C ATOM 743 O GLN A 50 -18.947 10.523 -15.273 1.00 0.00 O ATOM 744 CB GLN A 50 -17.627 12.492 -16.957 1.00 0.00 C ATOM 745 CG GLN A 50 -16.416 11.871 -16.276 1.00 0.00 C ATOM 746 CD GLN A 50 -15.889 12.719 -15.135 1.00 0.00 C ATOM 747 OE1 GLN A 50 -15.524 12.203 -14.078 1.00 0.00 O ATOM 748 NE2 GLN A 50 -15.849 14.030 -15.342 1.00 0.00 N ATOM 0 H GLN A 50 -20.199 12.241 -18.641 1.00 0.00 H new ATOM 0 HA GLN A 50 -18.317 11.069 -18.417 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -17.288 13.096 -17.799 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -18.118 13.168 -16.257 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -16.683 10.885 -15.897 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -15.625 11.726 -17.012 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -16.161 14.415 -16.233 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.506 14.652 -14.610 1.00 0.00 H new ATOM 757 N LYS A 51 -18.619 9.092 -16.975 1.00 0.00 N ATOM 758 CA LYS A 51 -18.689 7.909 -16.128 1.00 0.00 C ATOM 759 C LYS A 51 -17.666 8.004 -15.004 1.00 0.00 C ATOM 760 O LYS A 51 -16.881 8.952 -14.947 1.00 0.00 O ATOM 761 CB LYS A 51 -18.444 6.645 -16.956 1.00 0.00 C ATOM 762 CG LYS A 51 -19.630 5.693 -16.975 1.00 0.00 C ATOM 763 CD LYS A 51 -20.034 5.330 -18.395 1.00 0.00 C ATOM 764 CE LYS A 51 -21.100 4.247 -18.411 1.00 0.00 C ATOM 765 NZ LYS A 51 -21.517 3.898 -19.797 1.00 0.00 N ATOM 0 H LYS A 51 -18.460 8.897 -17.963 1.00 0.00 H new ATOM 0 HA LYS A 51 -19.687 7.854 -15.692 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -18.202 6.932 -17.979 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -17.575 6.122 -16.557 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -19.378 4.786 -16.425 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.475 6.153 -16.462 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -20.408 6.217 -18.906 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -19.159 4.989 -18.947 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -20.720 3.356 -17.911 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -21.968 4.584 -17.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -22.245 3.156 -19.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -21.904 4.742 -20.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -20.694 3.552 -20.330 1.00 0.00 H new ATOM 779 N ASN A 52 -17.674 7.025 -14.106 1.00 0.00 N ATOM 780 CA ASN A 52 -16.740 7.016 -12.987 1.00 0.00 C ATOM 781 C ASN A 52 -16.128 5.634 -12.789 1.00 0.00 C ATOM 782 O ASN A 52 -16.729 4.617 -13.134 1.00 0.00 O ATOM 783 CB ASN A 52 -17.439 7.463 -11.703 1.00 0.00 C ATOM 784 CG ASN A 52 -16.737 6.958 -10.456 1.00 0.00 C ATOM 785 OD1 ASN A 52 -17.097 5.916 -9.908 1.00 0.00 O ATOM 786 ND2 ASN A 52 -15.728 7.693 -10.005 1.00 0.00 N ATOM 0 H ASN A 52 -18.314 6.231 -14.131 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.938 7.716 -13.220 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -17.482 8.552 -11.676 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -18.468 7.103 -11.708 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -15.217 7.401 -9.172 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -15.464 8.550 -10.491 1.00 0.00 H new ATOM 793 N VAL A 53 -14.927 5.612 -12.219 1.00 0.00 N ATOM 794 CA VAL A 53 -14.222 4.365 -11.958 1.00 0.00 C ATOM 795 C VAL A 53 -13.569 4.390 -10.580 1.00 0.00 C ATOM 796 O VAL A 53 -12.425 4.818 -10.429 1.00 0.00 O ATOM 797 CB VAL A 53 -13.142 4.089 -13.020 1.00 0.00 C ATOM 798 CG1 VAL A 53 -13.586 2.977 -13.957 1.00 0.00 C ATOM 799 CG2 VAL A 53 -12.820 5.354 -13.800 1.00 0.00 C ATOM 0 H VAL A 53 -14.421 6.449 -11.928 1.00 0.00 H new ATOM 0 HA VAL A 53 -14.964 3.568 -11.998 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.235 3.764 -12.510 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -12.810 2.796 -14.701 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -13.759 2.066 -13.384 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -14.508 3.271 -14.459 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -12.055 5.137 -14.545 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -13.720 5.713 -14.298 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -12.454 6.120 -13.116 1.00 0.00 H new ATOM 809 N THR A 54 -14.305 3.927 -9.579 1.00 0.00 N ATOM 810 CA THR A 54 -13.803 3.894 -8.211 1.00 0.00 C ATOM 811 C THR A 54 -14.573 2.876 -7.376 1.00 0.00 C ATOM 812 O THR A 54 -15.796 2.955 -7.259 1.00 0.00 O ATOM 813 CB THR A 54 -13.910 5.279 -7.571 1.00 0.00 C ATOM 814 OG1 THR A 54 -13.838 6.295 -8.556 1.00 0.00 O ATOM 815 CG2 THR A 54 -12.829 5.550 -6.547 1.00 0.00 C ATOM 0 H THR A 54 -15.254 3.568 -9.688 1.00 0.00 H new ATOM 0 HA THR A 54 -12.755 3.597 -8.242 1.00 0.00 H new ATOM 0 HB THR A 54 -14.876 5.290 -7.066 1.00 0.00 H new ATOM 0 HG1 THR A 54 -13.590 7.144 -8.133 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.963 6.549 -6.132 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.893 4.813 -5.747 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.851 5.484 -7.024 1.00 0.00 H new ATOM 823 N SER A 55 -13.850 1.921 -6.800 1.00 0.00 N ATOM 824 CA SER A 55 -14.469 0.885 -5.980 1.00 0.00 C ATOM 825 C SER A 55 -13.769 0.759 -4.630 1.00 0.00 C ATOM 826 O SER A 55 -12.818 -0.009 -4.486 1.00 0.00 O ATOM 827 CB SER A 55 -14.436 -0.457 -6.712 1.00 0.00 C ATOM 828 OG SER A 55 -14.818 -0.308 -8.069 1.00 0.00 O ATOM 0 H SER A 55 -12.837 1.843 -6.885 1.00 0.00 H new ATOM 0 HA SER A 55 -15.505 1.172 -5.801 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.433 -0.880 -6.658 1.00 0.00 H new ATOM 0 HB3 SER A 55 -15.106 -1.161 -6.218 1.00 0.00 H new ATOM 0 HG SER A 55 -14.787 -1.180 -8.515 1.00 0.00 H new ATOM 834 N GLU A 56 -14.257 1.516 -3.648 1.00 0.00 N ATOM 835 CA GLU A 56 -13.699 1.505 -2.294 1.00 0.00 C ATOM 836 C GLU A 56 -12.354 0.787 -2.240 1.00 0.00 C ATOM 837 O GLU A 56 -12.291 -0.441 -2.291 1.00 0.00 O ATOM 838 CB GLU A 56 -14.680 0.841 -1.323 1.00 0.00 C ATOM 839 CG GLU A 56 -15.667 1.809 -0.683 1.00 0.00 C ATOM 840 CD GLU A 56 -15.599 3.204 -1.277 1.00 0.00 C ATOM 841 OE1 GLU A 56 -14.766 4.008 -0.807 1.00 0.00 O ATOM 842 OE2 GLU A 56 -16.376 3.491 -2.212 1.00 0.00 O ATOM 0 H GLU A 56 -15.046 2.151 -3.766 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.537 2.542 -1.999 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.236 0.069 -1.855 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.115 0.341 -0.536 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.678 1.419 -0.800 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.470 1.866 0.387 1.00 0.00 H new ATOM 849 N SER A 57 -11.283 1.564 -2.132 1.00 0.00 N ATOM 850 CA SER A 57 -9.938 1.008 -2.068 1.00 0.00 C ATOM 851 C SER A 57 -9.276 1.330 -0.731 1.00 0.00 C ATOM 852 O SER A 57 -8.142 1.805 -0.688 1.00 0.00 O ATOM 853 CB SER A 57 -9.085 1.552 -3.216 1.00 0.00 C ATOM 854 OG SER A 57 -9.819 1.578 -4.428 1.00 0.00 O ATOM 0 H SER A 57 -11.321 2.582 -2.087 1.00 0.00 H new ATOM 0 HA SER A 57 -10.016 -0.075 -2.161 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.742 2.558 -2.973 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.196 0.933 -3.338 1.00 0.00 H new ATOM 0 HG SER A 57 -9.253 1.931 -5.146 1.00 0.00 H new ATOM 860 N THR A 58 -9.990 1.066 0.360 1.00 0.00 N ATOM 861 CA THR A 58 -9.466 1.327 1.697 1.00 0.00 C ATOM 862 C THR A 58 -8.636 2.608 1.713 1.00 0.00 C ATOM 863 O THR A 58 -8.941 3.559 0.994 1.00 0.00 O ATOM 864 CB THR A 58 -8.622 0.144 2.171 1.00 0.00 C ATOM 865 OG1 THR A 58 -7.437 0.035 1.402 1.00 0.00 O ATOM 866 CG2 THR A 58 -9.349 -1.179 2.085 1.00 0.00 C ATOM 0 H THR A 58 -10.931 0.672 0.345 1.00 0.00 H new ATOM 0 HA THR A 58 -10.308 1.457 2.377 1.00 0.00 H new ATOM 0 HB THR A 58 -8.396 0.349 3.217 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.985 -0.808 1.616 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.695 -1.977 2.436 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.244 -1.144 2.706 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.633 -1.371 1.050 1.00 0.00 H new ATOM 874 N CYS A 59 -7.589 2.632 2.535 1.00 0.00 N ATOM 875 CA CYS A 59 -6.732 3.809 2.630 1.00 0.00 C ATOM 876 C CYS A 59 -5.308 3.450 3.018 1.00 0.00 C ATOM 877 O CYS A 59 -4.993 3.286 4.197 1.00 0.00 O ATOM 878 CB CYS A 59 -7.300 4.806 3.635 1.00 0.00 C ATOM 879 SG CYS A 59 -8.185 4.034 5.030 1.00 0.00 S ATOM 0 H CYS A 59 -7.316 1.857 3.139 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.706 4.263 1.639 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.485 5.414 4.028 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -7.980 5.481 3.116 1.00 0.00 H new ATOM 884 N CYS A 60 -4.448 3.358 2.015 1.00 0.00 N ATOM 885 CA CYS A 60 -3.045 3.040 2.235 1.00 0.00 C ATOM 886 C CYS A 60 -2.240 4.315 2.457 1.00 0.00 C ATOM 887 O CYS A 60 -2.716 5.417 2.184 1.00 0.00 O ATOM 888 CB CYS A 60 -2.472 2.260 1.047 1.00 0.00 C ATOM 889 SG CYS A 60 -3.398 0.746 0.632 1.00 0.00 S ATOM 0 H CYS A 60 -4.699 3.500 1.036 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.974 2.417 3.126 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -2.453 2.912 0.174 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.439 1.992 1.267 1.00 0.00 H new ATOM 894 N VAL A 61 -1.023 4.159 2.957 1.00 0.00 N ATOM 895 CA VAL A 61 -0.153 5.296 3.223 1.00 0.00 C ATOM 896 C VAL A 61 0.972 4.891 4.163 1.00 0.00 C ATOM 897 O VAL A 61 1.040 5.349 5.304 1.00 0.00 O ATOM 898 CB VAL A 61 -0.941 6.469 3.838 1.00 0.00 C ATOM 899 CG1 VAL A 61 -1.931 5.956 4.872 1.00 0.00 C ATOM 900 CG2 VAL A 61 0.003 7.493 4.451 1.00 0.00 C ATOM 0 H VAL A 61 -0.614 3.253 3.187 1.00 0.00 H new ATOM 0 HA VAL A 61 0.268 5.622 2.272 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.500 6.964 3.043 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.480 6.796 5.298 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.631 5.269 4.396 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.393 5.435 5.664 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.576 8.311 4.879 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.595 7.019 5.234 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.667 7.883 3.680 1.00 0.00 H new ATOM 910 N ALA A 62 1.843 4.012 3.671 1.00 0.00 N ATOM 911 CA ALA A 62 2.971 3.509 4.448 1.00 0.00 C ATOM 912 C ALA A 62 2.982 4.036 5.857 1.00 0.00 C ATOM 913 O ALA A 62 3.397 5.163 6.127 1.00 0.00 O ATOM 914 CB ALA A 62 4.291 3.813 3.760 1.00 0.00 C ATOM 0 H ALA A 62 1.786 3.631 2.727 1.00 0.00 H new ATOM 0 HA ALA A 62 2.846 2.428 4.507 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.113 3.426 4.363 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.307 3.340 2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.402 4.891 3.645 1.00 0.00 H new ATOM 920 N LYS A 63 2.572 3.167 6.752 1.00 0.00 N ATOM 921 CA LYS A 63 2.572 3.466 8.159 1.00 0.00 C ATOM 922 C LYS A 63 3.910 4.035 8.487 1.00 0.00 C ATOM 923 O LYS A 63 4.050 5.033 9.195 1.00 0.00 O ATOM 924 CB LYS A 63 2.413 2.191 8.957 1.00 0.00 C ATOM 925 CG LYS A 63 1.953 1.016 8.151 1.00 0.00 C ATOM 926 CD LYS A 63 0.855 0.236 8.856 1.00 0.00 C ATOM 927 CE LYS A 63 1.429 -0.771 9.841 1.00 0.00 C ATOM 928 NZ LYS A 63 1.960 -1.982 9.154 1.00 0.00 N ATOM 0 H LYS A 63 2.230 2.234 6.522 1.00 0.00 H new ATOM 0 HA LYS A 63 1.759 4.152 8.395 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.367 1.946 9.424 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.700 2.366 9.763 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.589 1.361 7.183 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.799 0.356 7.957 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.197 0.927 9.383 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.245 -0.284 8.117 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.227 -0.301 10.416 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.656 -1.066 10.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.799 -2.329 9.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.231 -2.723 9.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.221 -1.740 8.177 1.00 0.00 H new ATOM 942 N SER A 64 4.900 3.366 7.933 1.00 0.00 N ATOM 943 CA SER A 64 6.255 3.748 8.114 1.00 0.00 C ATOM 944 C SER A 64 6.912 3.929 6.761 1.00 0.00 C ATOM 945 O SER A 64 6.266 3.780 5.725 1.00 0.00 O ATOM 946 CB SER A 64 6.998 2.709 8.950 1.00 0.00 C ATOM 947 OG SER A 64 8.276 3.180 9.338 1.00 0.00 O ATOM 0 H SER A 64 4.771 2.542 7.346 1.00 0.00 H new ATOM 0 HA SER A 64 6.294 4.694 8.653 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.413 2.466 9.837 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.106 1.788 8.377 1.00 0.00 H new ATOM 0 HG SER A 64 8.663 2.569 10.000 1.00 0.00 H new ATOM 953 N TYR A 65 8.186 4.258 6.764 1.00 0.00 N ATOM 954 CA TYR A 65 8.895 4.463 5.517 1.00 0.00 C ATOM 955 C TYR A 65 10.388 4.405 5.709 1.00 0.00 C ATOM 956 O TYR A 65 10.899 4.605 6.811 1.00 0.00 O ATOM 957 CB TYR A 65 8.534 5.818 4.929 1.00 0.00 C ATOM 958 CG TYR A 65 8.322 6.891 5.973 1.00 0.00 C ATOM 959 CD1 TYR A 65 9.391 7.633 6.461 1.00 0.00 C ATOM 960 CD2 TYR A 65 7.054 7.160 6.473 1.00 0.00 C ATOM 961 CE1 TYR A 65 9.201 8.615 7.417 1.00 0.00 C ATOM 962 CE2 TYR A 65 6.856 8.138 7.429 1.00 0.00 C ATOM 963 CZ TYR A 65 7.931 8.862 7.897 1.00 0.00 C ATOM 964 OH TYR A 65 7.739 9.839 8.850 1.00 0.00 O ATOM 0 H TYR A 65 8.748 4.388 7.605 1.00 0.00 H new ATOM 0 HA TYR A 65 8.597 3.662 4.840 1.00 0.00 H new ATOM 0 HB2 TYR A 65 9.327 6.134 4.251 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.626 5.717 4.334 1.00 0.00 H new ATOM 0 HD1 TYR A 65 10.386 7.440 6.088 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.209 6.595 6.108 1.00 0.00 H new ATOM 0 HE1 TYR A 65 10.041 9.185 7.785 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.864 8.334 7.807 1.00 0.00 H new ATOM 0 HH TYR A 65 6.788 9.888 9.081 1.00 0.00 H new ATOM 974 N ASN A 66 11.084 4.180 4.614 1.00 0.00 N ATOM 975 CA ASN A 66 12.534 4.153 4.646 1.00 0.00 C ATOM 976 C ASN A 66 13.032 4.971 3.487 1.00 0.00 C ATOM 977 O ASN A 66 14.104 4.749 2.925 1.00 0.00 O ATOM 978 CB ASN A 66 13.059 2.729 4.600 1.00 0.00 C ATOM 979 CG ASN A 66 14.518 2.630 4.994 1.00 0.00 C ATOM 980 OD1 ASN A 66 15.193 3.642 5.186 1.00 0.00 O ATOM 981 ND2 ASN A 66 15.013 1.405 5.114 1.00 0.00 N ATOM 0 H ASN A 66 10.674 4.014 3.695 1.00 0.00 H new ATOM 0 HA ASN A 66 12.900 4.579 5.580 1.00 0.00 H new ATOM 0 HB2 ASN A 66 12.464 2.105 5.267 1.00 0.00 H new ATOM 0 HB3 ASN A 66 12.931 2.332 3.593 1.00 0.00 H new ATOM 0 HD21 ASN A 66 15.990 1.273 5.375 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.416 0.595 4.945 1.00 0.00 H new ATOM 988 N ARG A 67 12.187 5.921 3.168 1.00 0.00 N ATOM 989 CA ARG A 67 12.386 6.872 2.090 1.00 0.00 C ATOM 990 C ARG A 67 13.760 6.749 1.450 1.00 0.00 C ATOM 991 O ARG A 67 14.788 6.731 2.128 1.00 0.00 O ATOM 992 CB ARG A 67 12.168 8.279 2.629 1.00 0.00 C ATOM 993 CG ARG A 67 11.313 9.157 1.735 1.00 0.00 C ATOM 994 CD ARG A 67 11.984 10.494 1.467 1.00 0.00 C ATOM 995 NE ARG A 67 12.106 11.302 2.679 1.00 0.00 N ATOM 996 CZ ARG A 67 11.123 12.056 3.165 1.00 0.00 C ATOM 997 NH1 ARG A 67 9.942 12.082 2.561 1.00 0.00 N ATOM 998 NH2 ARG A 67 11.321 12.781 4.256 1.00 0.00 N ATOM 0 H ARG A 67 11.309 6.062 3.667 1.00 0.00 H new ATOM 0 HA ARG A 67 11.662 6.654 1.305 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.699 8.212 3.611 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.137 8.757 2.770 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.127 8.646 0.791 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.343 9.322 2.204 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.974 10.324 1.044 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.410 11.044 0.722 1.00 0.00 H new ATOM 0 HE ARG A 67 12.994 11.287 3.180 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.786 11.523 1.722 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.190 12.661 2.936 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.227 12.761 4.724 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.567 13.359 4.628 1.00 0.00 H new ATOM 1012 N VAL A 68 13.753 6.673 0.130 1.00 0.00 N ATOM 1013 CA VAL A 68 14.976 6.558 -0.648 1.00 0.00 C ATOM 1014 C VAL A 68 14.887 7.413 -1.899 1.00 0.00 C ATOM 1015 O VAL A 68 15.182 6.953 -3.001 1.00 0.00 O ATOM 1016 CB VAL A 68 15.246 5.097 -1.064 1.00 0.00 C ATOM 1017 CG1 VAL A 68 15.056 4.144 0.110 1.00 0.00 C ATOM 1018 CG2 VAL A 68 14.348 4.697 -2.231 1.00 0.00 C ATOM 0 H VAL A 68 12.902 6.689 -0.432 1.00 0.00 H new ATOM 0 HA VAL A 68 15.795 6.902 -0.017 1.00 0.00 H new ATOM 0 HB VAL A 68 16.285 5.027 -1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 68 15.253 3.122 -0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 68 15.747 4.410 0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 68 14.032 4.217 0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.553 3.663 -2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.303 4.793 -1.936 1.00 0.00 H new ATOM 0 HG23 VAL A 68 14.546 5.349 -3.082 1.00 0.00 H new ATOM 1028 N THR A 69 14.462 8.657 -1.719 1.00 0.00 N ATOM 1029 CA THR A 69 14.307 9.584 -2.832 1.00 0.00 C ATOM 1030 C THR A 69 15.037 9.089 -4.067 1.00 0.00 C ATOM 1031 O THR A 69 16.258 8.929 -4.063 1.00 0.00 O ATOM 1032 CB THR A 69 14.807 10.973 -2.476 1.00 0.00 C ATOM 1033 OG1 THR A 69 14.060 11.525 -1.407 1.00 0.00 O ATOM 1034 CG2 THR A 69 14.727 11.927 -3.649 1.00 0.00 C ATOM 0 H THR A 69 14.218 9.048 -0.809 1.00 0.00 H new ATOM 0 HA THR A 69 13.240 9.640 -3.047 1.00 0.00 H new ATOM 0 HB THR A 69 15.850 10.852 -2.184 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.402 12.419 -1.196 1.00 0.00 H new ATOM 0 HG21 THR A 69 15.095 12.907 -3.346 1.00 0.00 H new ATOM 0 HG22 THR A 69 15.337 11.548 -4.469 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.691 12.014 -3.977 1.00 0.00 H new ATOM 1042 N VAL A 70 14.280 8.846 -5.118 1.00 0.00 N ATOM 1043 CA VAL A 70 14.843 8.366 -6.364 1.00 0.00 C ATOM 1044 C VAL A 70 14.568 9.308 -7.504 1.00 0.00 C ATOM 1045 O VAL A 70 14.287 10.489 -7.313 1.00 0.00 O ATOM 1046 CB VAL A 70 14.315 6.972 -6.739 1.00 0.00 C ATOM 1047 CG1 VAL A 70 14.313 6.061 -5.523 1.00 0.00 C ATOM 1048 CG2 VAL A 70 12.919 7.048 -7.330 1.00 0.00 C ATOM 0 H VAL A 70 13.268 8.974 -5.134 1.00 0.00 H new ATOM 0 HA VAL A 70 15.918 8.307 -6.197 1.00 0.00 H new ATOM 0 HB VAL A 70 14.982 6.559 -7.496 1.00 0.00 H new ATOM 0 HG11 VAL A 70 13.936 5.078 -5.805 1.00 0.00 H new ATOM 0 HG12 VAL A 70 15.329 5.964 -5.139 1.00 0.00 H new ATOM 0 HG13 VAL A 70 13.673 6.487 -4.751 1.00 0.00 H new ATOM 0 HG21 VAL A 70 12.576 6.045 -7.584 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.239 7.490 -6.602 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.938 7.664 -8.229 1.00 0.00 H new ATOM 1058 N MET A 71 14.686 8.757 -8.688 1.00 0.00 N ATOM 1059 CA MET A 71 14.488 9.486 -9.915 1.00 0.00 C ATOM 1060 C MET A 71 13.832 10.840 -9.698 1.00 0.00 C ATOM 1061 O MET A 71 12.814 10.953 -9.014 1.00 0.00 O ATOM 1062 CB MET A 71 13.659 8.664 -10.887 1.00 0.00 C ATOM 1063 CG MET A 71 14.512 7.730 -11.707 1.00 0.00 C ATOM 1064 SD MET A 71 13.692 7.158 -13.206 1.00 0.00 S ATOM 1065 CE MET A 71 13.927 8.575 -14.274 1.00 0.00 C ATOM 0 H MET A 71 14.926 7.775 -8.827 1.00 0.00 H new ATOM 0 HA MET A 71 15.478 9.670 -10.333 1.00 0.00 H new ATOM 0 HB2 MET A 71 12.918 8.087 -10.334 1.00 0.00 H new ATOM 0 HB3 MET A 71 13.111 9.332 -11.551 1.00 0.00 H new ATOM 0 HG2 MET A 71 15.439 8.237 -11.977 1.00 0.00 H new ATOM 0 HG3 MET A 71 14.786 6.868 -11.098 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.034 8.726 -14.880 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.108 9.462 -13.667 1.00 0.00 H new ATOM 0 HE3 MET A 71 14.783 8.401 -14.926 1.00 0.00 H new ATOM 1075 N GLY A 72 14.418 11.860 -10.305 1.00 0.00 N ATOM 1076 CA GLY A 72 13.885 13.198 -10.198 1.00 0.00 C ATOM 1077 C GLY A 72 13.379 13.531 -8.806 1.00 0.00 C ATOM 1078 O GLY A 72 12.523 14.400 -8.643 1.00 0.00 O ATOM 0 H GLY A 72 15.261 11.782 -10.874 1.00 0.00 H new ATOM 0 HA2 GLY A 72 14.658 13.914 -10.477 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.070 13.315 -10.912 1.00 0.00 H new ATOM 1082 N GLY A 73 13.912 12.845 -7.801 1.00 0.00 N ATOM 1083 CA GLY A 73 13.496 13.097 -6.432 1.00 0.00 C ATOM 1084 C GLY A 73 12.250 12.325 -6.043 1.00 0.00 C ATOM 1085 O GLY A 73 11.404 12.828 -5.306 1.00 0.00 O ATOM 0 H GLY A 73 14.622 12.121 -7.908 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.308 12.831 -5.756 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.311 14.164 -6.304 1.00 0.00 H new ATOM 1089 N PHE A 74 12.139 11.098 -6.537 1.00 0.00 N ATOM 1090 CA PHE A 74 10.991 10.252 -6.238 1.00 0.00 C ATOM 1091 C PHE A 74 11.072 9.713 -4.819 1.00 0.00 C ATOM 1092 O PHE A 74 12.039 9.051 -4.449 1.00 0.00 O ATOM 1093 CB PHE A 74 10.918 9.094 -7.229 1.00 0.00 C ATOM 1094 CG PHE A 74 9.962 9.329 -8.363 1.00 0.00 C ATOM 1095 CD1 PHE A 74 9.491 10.603 -8.639 1.00 0.00 C ATOM 1096 CD2 PHE A 74 9.536 8.274 -9.155 1.00 0.00 C ATOM 1097 CE1 PHE A 74 8.613 10.821 -9.684 1.00 0.00 C ATOM 1098 CE2 PHE A 74 8.656 8.487 -10.200 1.00 0.00 C ATOM 1099 CZ PHE A 74 8.195 9.761 -10.465 1.00 0.00 C ATOM 0 H PHE A 74 12.832 10.666 -7.148 1.00 0.00 H new ATOM 0 HA PHE A 74 10.089 10.858 -6.328 1.00 0.00 H new ATOM 0 HB2 PHE A 74 11.913 8.912 -7.636 1.00 0.00 H new ATOM 0 HB3 PHE A 74 10.621 8.190 -6.697 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.814 11.435 -8.031 1.00 0.00 H new ATOM 0 HD2 PHE A 74 9.895 7.276 -8.954 1.00 0.00 H new ATOM 0 HE1 PHE A 74 8.254 11.819 -9.890 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.329 7.657 -10.809 1.00 0.00 H new ATOM 0 HZ PHE A 74 7.509 9.929 -11.282 1.00 0.00 H new ATOM 1109 N LYS A 75 10.054 10.001 -4.025 1.00 0.00 N ATOM 1110 CA LYS A 75 10.020 9.551 -2.640 1.00 0.00 C ATOM 1111 C LYS A 75 9.163 8.300 -2.472 1.00 0.00 C ATOM 1112 O LYS A 75 7.935 8.356 -2.557 1.00 0.00 O ATOM 1113 CB LYS A 75 9.485 10.664 -1.738 1.00 0.00 C ATOM 1114 CG LYS A 75 10.133 12.014 -1.988 1.00 0.00 C ATOM 1115 CD LYS A 75 9.245 12.909 -2.837 1.00 0.00 C ATOM 1116 CE LYS A 75 8.863 14.176 -2.091 1.00 0.00 C ATOM 1117 NZ LYS A 75 9.955 15.186 -2.122 1.00 0.00 N ATOM 0 H LYS A 75 9.240 10.544 -4.314 1.00 0.00 H new ATOM 0 HA LYS A 75 11.041 9.302 -2.352 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.409 10.754 -1.886 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.641 10.383 -0.697 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.339 12.502 -1.035 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.092 11.872 -2.487 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.764 13.170 -3.759 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.344 12.366 -3.121 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.962 14.601 -2.534 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.624 13.931 -1.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.656 16.036 -1.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.807 14.790 -1.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.166 15.439 -3.108 1.00 0.00 H new ATOM 1131 N VAL A 76 9.820 7.177 -2.202 1.00 0.00 N ATOM 1132 CA VAL A 76 9.129 5.907 -1.984 1.00 0.00 C ATOM 1133 C VAL A 76 9.004 5.659 -0.517 1.00 0.00 C ATOM 1134 O VAL A 76 8.695 4.547 -0.088 1.00 0.00 O ATOM 1135 CB VAL A 76 9.922 4.720 -2.575 1.00 0.00 C ATOM 1136 CG1 VAL A 76 10.079 4.874 -4.079 1.00 0.00 C ATOM 1137 CG2 VAL A 76 11.276 4.693 -1.885 1.00 0.00 C ATOM 0 H VAL A 76 10.836 7.119 -2.128 1.00 0.00 H new ATOM 0 HA VAL A 76 8.156 5.978 -2.470 1.00 0.00 H new ATOM 0 HB VAL A 76 9.393 3.782 -2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.640 4.028 -4.475 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.095 4.907 -4.546 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.615 5.798 -4.296 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.868 3.865 -2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.798 5.632 -2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.135 4.562 -0.812 1.00 0.00 H new ATOM 1147 N GLU A 77 9.296 6.694 0.242 1.00 0.00 N ATOM 1148 CA GLU A 77 9.283 6.584 1.696 1.00 0.00 C ATOM 1149 C GLU A 77 9.531 5.125 1.998 1.00 0.00 C ATOM 1150 O GLU A 77 8.844 4.507 2.807 1.00 0.00 O ATOM 1151 CB GLU A 77 7.940 7.048 2.269 1.00 0.00 C ATOM 1152 CG GLU A 77 8.073 8.072 3.383 1.00 0.00 C ATOM 1153 CD GLU A 77 8.053 9.498 2.867 1.00 0.00 C ATOM 1154 OE1 GLU A 77 7.722 9.694 1.678 1.00 0.00 O ATOM 1155 OE2 GLU A 77 8.366 10.418 3.651 1.00 0.00 O ATOM 0 H GLU A 77 9.544 7.617 -0.114 1.00 0.00 H new ATOM 0 HA GLU A 77 10.042 7.218 2.153 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.340 7.474 1.465 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.397 6.181 2.647 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.260 7.936 4.096 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.004 7.898 3.923 1.00 0.00 H new ATOM 1162 N ASN A 78 10.483 4.583 1.231 1.00 0.00 N ATOM 1163 CA ASN A 78 10.815 3.175 1.255 1.00 0.00 C ATOM 1164 C ASN A 78 9.955 2.485 2.275 1.00 0.00 C ATOM 1165 O ASN A 78 10.407 2.054 3.336 1.00 0.00 O ATOM 1166 CB ASN A 78 12.286 2.901 1.488 1.00 0.00 C ATOM 1167 CG ASN A 78 12.554 1.450 1.187 1.00 0.00 C ATOM 1168 OD1 ASN A 78 12.246 0.973 0.097 1.00 0.00 O ATOM 1169 ND2 ASN A 78 13.121 0.736 2.137 1.00 0.00 N ATOM 0 H ASN A 78 11.044 5.124 0.573 1.00 0.00 H new ATOM 0 HA ASN A 78 10.609 2.771 0.264 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.896 3.540 0.849 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.556 3.130 2.519 1.00 0.00 H new ATOM 0 HD22 ASN A 78 13.361 1.171 3.028 1.00 0.00 H new ATOM 1174 N HIS A 79 8.686 2.453 1.937 1.00 0.00 N ATOM 1175 CA HIS A 79 7.669 1.901 2.789 1.00 0.00 C ATOM 1176 C HIS A 79 8.110 0.683 3.547 1.00 0.00 C ATOM 1177 O HIS A 79 8.480 -0.343 2.986 1.00 0.00 O ATOM 1178 CB HIS A 79 6.416 1.607 1.990 1.00 0.00 C ATOM 1179 CG HIS A 79 5.898 2.839 1.360 1.00 0.00 C ATOM 1180 ND1 HIS A 79 4.801 2.900 0.542 1.00 0.00 N ATOM 1181 CD2 HIS A 79 6.383 4.090 1.448 1.00 0.00 C ATOM 1182 CE1 HIS A 79 4.655 4.175 0.156 1.00 0.00 C ATOM 1183 NE2 HIS A 79 5.593 4.943 0.682 1.00 0.00 N ATOM 0 H HIS A 79 8.332 2.815 1.052 1.00 0.00 H new ATOM 0 HA HIS A 79 7.456 2.661 3.541 1.00 0.00 H new ATOM 0 HB2 HIS A 79 6.634 0.864 1.223 1.00 0.00 H new ATOM 0 HB3 HIS A 79 5.655 1.178 2.642 1.00 0.00 H new ATOM 0 HD2 HIS A 79 7.248 4.386 2.022 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.873 4.529 -0.499 1.00 0.00 H new ATOM 0 HE2 HIS A 79 5.713 5.948 0.554 1.00 0.00 H new ATOM 1191 N THR A 80 8.026 0.819 4.844 1.00 0.00 N ATOM 1192 CA THR A 80 8.369 -0.258 5.742 1.00 0.00 C ATOM 1193 C THR A 80 7.089 -0.875 6.298 1.00 0.00 C ATOM 1194 O THR A 80 7.026 -2.081 6.534 1.00 0.00 O ATOM 1195 CB THR A 80 9.298 0.246 6.840 1.00 0.00 C ATOM 1196 OG1 THR A 80 8.565 0.820 7.906 1.00 0.00 O ATOM 1197 CG2 THR A 80 10.276 1.283 6.327 1.00 0.00 C ATOM 0 H THR A 80 7.720 1.674 5.309 1.00 0.00 H new ATOM 0 HA THR A 80 8.910 -1.037 5.206 1.00 0.00 H new ATOM 0 HB THR A 80 9.851 -0.625 7.191 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.947 1.694 8.133 1.00 0.00 H new ATOM 0 HG21 THR A 80 10.918 1.613 7.144 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.889 0.847 5.538 1.00 0.00 H new ATOM 0 HG23 THR A 80 9.726 2.136 5.929 1.00 0.00 H new ATOM 1205 N ALA A 81 6.050 -0.049 6.465 1.00 0.00 N ATOM 1206 CA ALA A 81 4.773 -0.525 6.939 1.00 0.00 C ATOM 1207 C ALA A 81 3.670 0.238 6.220 1.00 0.00 C ATOM 1208 O ALA A 81 3.757 1.453 6.069 1.00 0.00 O ATOM 1209 CB ALA A 81 4.677 -0.348 8.446 1.00 0.00 C ATOM 0 H ALA A 81 6.082 0.953 6.275 1.00 0.00 H new ATOM 0 HA ALA A 81 4.664 -1.588 6.726 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.710 -0.710 8.794 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.472 -0.915 8.930 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.780 0.708 8.696 1.00 0.00 H new ATOM 1215 N CYS A 82 2.636 -0.466 5.773 1.00 0.00 N ATOM 1216 CA CYS A 82 1.531 0.182 5.072 1.00 0.00 C ATOM 1217 C CYS A 82 0.204 -0.123 5.753 1.00 0.00 C ATOM 1218 O CYS A 82 -0.069 -1.265 6.123 1.00 0.00 O ATOM 1219 CB CYS A 82 1.489 -0.243 3.600 1.00 0.00 C ATOM 1220 SG CYS A 82 2.293 0.940 2.462 1.00 0.00 S ATOM 0 H CYS A 82 2.539 -1.476 5.881 1.00 0.00 H new ATOM 0 HA CYS A 82 1.697 1.259 5.111 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.973 -1.215 3.499 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.449 -0.372 3.299 1.00 0.00 H new ATOM 1225 N HIS A 83 -0.614 0.910 5.928 1.00 0.00 N ATOM 1226 CA HIS A 83 -1.907 0.750 6.577 1.00 0.00 C ATOM 1227 C HIS A 83 -3.049 1.147 5.647 1.00 0.00 C ATOM 1228 O HIS A 83 -3.269 2.328 5.382 1.00 0.00 O ATOM 1229 CB HIS A 83 -1.972 1.582 7.858 1.00 0.00 C ATOM 1230 CG HIS A 83 -1.536 3.003 7.679 1.00 0.00 C ATOM 1231 ND1 HIS A 83 -2.307 4.081 8.066 1.00 0.00 N ATOM 1232 CD2 HIS A 83 -0.404 3.524 7.152 1.00 0.00 C ATOM 1233 CE1 HIS A 83 -1.667 5.201 7.783 1.00 0.00 C ATOM 1234 NE2 HIS A 83 -0.510 4.890 7.229 1.00 0.00 N ATOM 0 H HIS A 83 -0.404 1.863 5.630 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.019 -0.305 6.828 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.994 1.570 8.236 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -1.346 1.113 8.617 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.428 2.968 6.746 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.029 6.201 7.973 1.00 0.00 H new ATOM 0 HE2 HIS A 83 0.192 5.557 6.910 1.00 0.00 H new ATOM 1243 N CYS A 84 -3.779 0.146 5.166 1.00 0.00 N ATOM 1244 CA CYS A 84 -4.912 0.375 4.275 1.00 0.00 C ATOM 1245 C CYS A 84 -6.223 0.099 5.004 1.00 0.00 C ATOM 1246 O CYS A 84 -6.476 -1.022 5.447 1.00 0.00 O ATOM 1247 CB CYS A 84 -4.797 -0.505 3.026 1.00 0.00 C ATOM 1248 SG CYS A 84 -5.682 -2.097 3.128 1.00 0.00 S ATOM 0 H CYS A 84 -3.605 -0.836 5.379 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.903 1.419 3.962 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -5.178 0.052 2.170 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -3.742 -0.703 2.834 1.00 0.00 H new ATOM 1253 N SER A 85 -7.045 1.134 5.136 1.00 0.00 N ATOM 1254 CA SER A 85 -8.329 1.016 5.818 1.00 0.00 C ATOM 1255 C SER A 85 -8.191 1.373 7.296 1.00 0.00 C ATOM 1256 O SER A 85 -7.090 1.634 7.781 1.00 0.00 O ATOM 1257 CB SER A 85 -8.886 -0.401 5.676 1.00 0.00 C ATOM 1258 OG SER A 85 -8.463 -1.226 6.748 1.00 0.00 O ATOM 0 H SER A 85 -6.844 2.068 4.778 1.00 0.00 H new ATOM 0 HA SER A 85 -9.023 1.716 5.352 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.975 -0.366 5.648 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.557 -0.831 4.730 1.00 0.00 H new ATOM 0 HG SER A 85 -7.608 -1.647 6.519 1.00 0.00 H new ATOM 1264 N THR A 86 -9.314 1.382 8.004 1.00 0.00 N ATOM 1265 CA THR A 86 -9.316 1.706 9.424 1.00 0.00 C ATOM 1266 C THR A 86 -8.485 2.955 9.699 1.00 0.00 C ATOM 1267 O THR A 86 -7.996 3.154 10.811 1.00 0.00 O ATOM 1268 CB THR A 86 -8.773 0.529 10.236 1.00 0.00 C ATOM 1269 OG1 THR A 86 -8.302 -0.495 9.379 1.00 0.00 O ATOM 1270 CG2 THR A 86 -9.800 -0.086 11.163 1.00 0.00 C ATOM 0 H THR A 86 -10.234 1.169 7.618 1.00 0.00 H new ATOM 0 HA THR A 86 -10.345 1.904 9.725 1.00 0.00 H new ATOM 0 HB THR A 86 -7.966 0.944 10.840 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.957 -1.238 9.916 1.00 0.00 H new ATOM 0 HG21 THR A 86 -9.348 -0.915 11.708 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.148 0.666 11.870 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.644 -0.453 10.579 1.00 0.00 H new ATOM 1278 N CYS A 87 -8.329 3.794 8.680 1.00 0.00 N ATOM 1279 CA CYS A 87 -7.556 5.024 8.819 1.00 0.00 C ATOM 1280 C CYS A 87 -8.312 6.044 9.666 1.00 0.00 C ATOM 1281 O CYS A 87 -9.281 6.650 9.207 1.00 0.00 O ATOM 1282 CB CYS A 87 -7.233 5.615 7.443 1.00 0.00 C ATOM 1283 SG CYS A 87 -8.624 5.586 6.266 1.00 0.00 S ATOM 0 H CYS A 87 -8.726 3.646 7.752 1.00 0.00 H new ATOM 0 HA CYS A 87 -6.620 4.781 9.323 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -6.904 6.646 7.572 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -6.397 5.065 7.012 1.00 0.00 H new ATOM 1288 N TYR A 88 -7.864 6.219 10.910 1.00 0.00 N ATOM 1289 CA TYR A 88 -8.492 7.159 11.837 1.00 0.00 C ATOM 1290 C TYR A 88 -9.218 8.273 11.087 1.00 0.00 C ATOM 1291 O TYR A 88 -8.598 9.068 10.382 1.00 0.00 O ATOM 1292 CB TYR A 88 -7.444 7.757 12.779 1.00 0.00 C ATOM 1293 CG TYR A 88 -7.167 6.906 13.999 1.00 0.00 C ATOM 1294 CD1 TYR A 88 -7.642 5.603 14.085 1.00 0.00 C ATOM 1295 CD2 TYR A 88 -6.431 7.406 15.066 1.00 0.00 C ATOM 1296 CE1 TYR A 88 -7.391 4.824 15.199 1.00 0.00 C ATOM 1297 CE2 TYR A 88 -6.175 6.633 16.183 1.00 0.00 C ATOM 1298 CZ TYR A 88 -6.657 5.343 16.244 1.00 0.00 C ATOM 1299 OH TYR A 88 -6.403 4.569 17.353 1.00 0.00 O ATOM 0 H TYR A 88 -7.065 5.719 11.299 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.227 6.609 12.424 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -6.514 7.901 12.229 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.779 8.742 13.103 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -8.217 5.192 13.268 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.052 8.416 15.022 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -7.768 3.813 15.250 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.601 7.037 17.003 1.00 0.00 H new ATOM 0 HH TYR A 88 -5.872 5.084 17.996 1.00 0.00 H new ATOM 1309 N TYR A 89 -10.538 8.317 11.243 1.00 0.00 N ATOM 1310 CA TYR A 89 -11.354 9.324 10.577 1.00 0.00 C ATOM 1311 C TYR A 89 -12.531 9.738 11.457 1.00 0.00 C ATOM 1312 O TYR A 89 -12.648 9.301 12.602 1.00 0.00 O ATOM 1313 CB TYR A 89 -11.869 8.783 9.244 1.00 0.00 C ATOM 1314 CG TYR A 89 -12.299 7.334 9.311 1.00 0.00 C ATOM 1315 CD1 TYR A 89 -13.050 6.863 10.381 1.00 0.00 C ATOM 1316 CD2 TYR A 89 -11.953 6.439 8.308 1.00 0.00 C ATOM 1317 CE1 TYR A 89 -13.442 5.538 10.449 1.00 0.00 C ATOM 1318 CE2 TYR A 89 -12.342 5.114 8.369 1.00 0.00 C ATOM 1319 CZ TYR A 89 -13.087 4.669 9.441 1.00 0.00 C ATOM 1320 OH TYR A 89 -13.476 3.350 9.502 1.00 0.00 O ATOM 0 H TYR A 89 -11.065 7.666 11.826 1.00 0.00 H new ATOM 0 HA TYR A 89 -10.733 10.201 10.395 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -12.713 9.390 8.915 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -11.088 8.888 8.491 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -13.332 7.542 11.172 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -11.370 6.783 7.466 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -14.024 5.187 11.288 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -12.064 4.430 7.581 1.00 0.00 H new ATOM 0 HH TYR A 89 -13.144 2.874 8.712 1.00 0.00 H new ATOM 1330 N HIS A 90 -13.403 10.582 10.913 1.00 0.00 N ATOM 1331 CA HIS A 90 -14.573 11.052 11.645 1.00 0.00 C ATOM 1332 C HIS A 90 -15.595 11.661 10.693 1.00 0.00 C ATOM 1333 O HIS A 90 -16.399 12.507 11.087 1.00 0.00 O ATOM 1334 CB HIS A 90 -14.165 12.082 12.699 1.00 0.00 C ATOM 1335 CG HIS A 90 -14.309 11.590 14.107 1.00 0.00 C ATOM 1336 ND1 HIS A 90 -13.270 11.022 14.814 1.00 0.00 N ATOM 1337 CD2 HIS A 90 -15.375 11.589 14.943 1.00 0.00 C ATOM 1338 CE1 HIS A 90 -13.691 10.692 16.023 1.00 0.00 C ATOM 1339 NE2 HIS A 90 -14.964 11.024 16.125 1.00 0.00 N ATOM 0 H HIS A 90 -13.321 10.954 9.967 1.00 0.00 H new ATOM 0 HA HIS A 90 -15.027 10.196 12.144 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -13.128 12.372 12.529 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -14.772 12.979 12.573 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -16.364 11.963 14.721 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -13.095 10.229 16.796 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -15.548 10.884 16.949 1.00 0.00 H new ATOM 1348 N LYS A 91 -15.558 11.226 9.437 1.00 0.00 N ATOM 1349 CA LYS A 91 -16.480 11.731 8.426 1.00 0.00 C ATOM 1350 C LYS A 91 -16.797 13.203 8.671 1.00 0.00 C ATOM 1351 O LYS A 91 -17.933 13.642 8.491 1.00 0.00 O ATOM 1352 CB LYS A 91 -17.768 10.908 8.424 1.00 0.00 C ATOM 1353 CG LYS A 91 -17.599 9.526 7.819 1.00 0.00 C ATOM 1354 CD LYS A 91 -17.671 9.570 6.302 1.00 0.00 C ATOM 1355 CE LYS A 91 -17.181 8.268 5.687 1.00 0.00 C ATOM 1356 NZ LYS A 91 -18.272 7.545 4.980 1.00 0.00 N ATOM 0 H LYS A 91 -14.900 10.525 9.096 1.00 0.00 H new ATOM 0 HA LYS A 91 -16.002 11.639 7.451 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -18.127 10.807 9.448 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -18.535 11.448 7.869 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -16.641 9.108 8.127 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -18.374 8.863 8.202 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -18.698 9.758 5.990 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -17.068 10.399 5.931 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -16.372 8.478 4.988 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -16.769 7.630 6.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -17.898 6.663 4.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -19.033 7.322 5.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -18.648 8.144 4.218 1.00 0.00 H new ATOM 1370 N SER A 92 -15.785 13.957 9.086 1.00 0.00 N ATOM 1371 CA SER A 92 -15.953 15.378 9.359 1.00 0.00 C ATOM 1372 C SER A 92 -14.617 16.110 9.278 1.00 0.00 C ATOM 1373 O SER A 92 -14.586 17.319 9.594 1.00 0.00 O ATOM 1374 CB SER A 92 -16.577 15.580 10.740 1.00 0.00 C ATOM 1375 OG SER A 92 -17.694 16.449 10.676 1.00 0.00 O ATOM 1376 OXT SER A 92 -13.614 15.470 8.900 1.00 0.00 O ATOM 0 H SER A 92 -14.840 13.607 9.241 1.00 0.00 H new ATOM 0 HA SER A 92 -16.619 15.793 8.602 1.00 0.00 H new ATOM 0 HB2 SER A 92 -16.885 14.617 11.147 1.00 0.00 H new ATOM 0 HB3 SER A 92 -15.832 15.991 11.422 1.00 0.00 H new ATOM 0 HG SER A 92 -18.075 16.559 11.572 1.00 0.00 H new TER 1382 SER A 92 HETATM 1383 C1 NAG A 178 13.267 -0.680 1.956 1.00 0.00 C HETATM 1384 C2 NAG A 178 14.740 -1.061 1.965 1.00 0.00 C HETATM 1385 C3 NAG A 178 14.894 -2.563 1.846 1.00 0.00 C HETATM 1386 C4 NAG A 178 14.067 -3.268 2.901 1.00 0.00 C HETATM 1387 C5 NAG A 178 12.626 -2.778 2.878 1.00 0.00 C HETATM 1388 C6 NAG A 178 11.803 -3.352 4.014 1.00 0.00 C HETATM 1389 C7 NAG A 178 16.420 0.413 1.059 1.00 0.00 C HETATM 1390 C8 NAG A 178 17.086 1.022 -0.164 1.00 0.00 C HETATM 1391 N2 NAG A 178 15.411 -0.426 0.847 1.00 0.00 N HETATM 1392 O3 NAG A 178 16.260 -2.907 2.022 1.00 0.00 O HETATM 1393 O4 NAG A 178 14.083 -4.680 2.634 1.00 0.00 O HETATM 1394 O5 NAG A 178 12.565 -1.354 3.007 1.00 0.00 O HETATM 1395 O6 NAG A 178 12.353 -3.008 5.277 1.00 0.00 O HETATM 1396 O7 NAG A 178 16.821 0.705 2.186 1.00 0.00 O HETATM 0 HO6 NAG A 178 12.698 -2.091 5.245 1.00 0.00 H new HETATM 0 HO3 NAG A 178 16.332 -3.637 2.672 1.00 0.00 H new HETATM 0 HN2 NAG A 178 15.107 -0.624 -0.106 1.00 0.00 H new HETATM 0 H83 NAG A 178 17.495 0.228 -0.789 1.00 0.00 H new HETATM 0 H82 NAG A 178 16.351 1.590 -0.734 1.00 0.00 H new HETATM 0 H81 NAG A 178 17.891 1.685 0.152 1.00 0.00 H new HETATM 0 H62 NAG A 178 10.780 -2.981 3.948 1.00 0.00 H new HETATM 0 H61 NAG A 178 11.756 -4.437 3.919 1.00 0.00 H new HETATM 0 H5 NAG A 178 12.222 -3.108 1.921 1.00 0.00 H new HETATM 0 H4 NAG A 178 14.493 -3.055 3.882 1.00 0.00 H new HETATM 0 H3 NAG A 178 14.549 -2.874 0.860 1.00 0.00 H new HETATM 0 H2 NAG A 178 15.183 -0.728 2.904 1.00 0.00 H new HETATM 1410 C1 NAG A 179 14.366 -5.502 3.705 1.00 0.00 C HETATM 1411 C2 NAG A 179 14.269 -6.944 3.258 1.00 0.00 C HETATM 1412 C3 NAG A 179 14.728 -7.879 4.363 1.00 0.00 C HETATM 1413 C4 NAG A 179 16.102 -7.475 4.850 1.00 0.00 C HETATM 1414 C5 NAG A 179 16.119 -6.013 5.262 1.00 0.00 C HETATM 1415 C6 NAG A 179 17.505 -5.535 5.648 1.00 0.00 C HETATM 1416 C7 NAG A 179 11.956 -7.001 3.858 1.00 0.00 C HETATM 1417 C8 NAG A 179 10.549 -6.697 3.370 1.00 0.00 C HETATM 1418 N2 NAG A 179 12.888 -7.208 2.934 1.00 0.00 N HETATM 1419 O3 NAG A 179 14.781 -9.207 3.861 1.00 0.00 O HETATM 1420 O4 NAG A 179 16.457 -8.280 5.984 1.00 0.00 O HETATM 1421 O5 NAG A 179 15.678 -5.169 4.181 1.00 0.00 O HETATM 1422 O6 NAG A 179 17.512 -4.143 5.931 1.00 0.00 O HETATM 1423 O7 NAG A 179 12.189 -7.043 5.066 1.00 0.00 O HETATM 0 HO6 NAG A 179 16.892 -3.683 5.328 1.00 0.00 H new HETATM 0 HO3 NAG A 179 15.079 -9.813 4.571 1.00 0.00 H new HETATM 0 HN2 NAG A 179 12.631 -7.549 2.008 1.00 0.00 H new HETATM 0 H83 NAG A 179 10.562 -5.792 2.763 1.00 0.00 H new HETATM 0 H82 NAG A 179 10.184 -7.531 2.771 1.00 0.00 H new HETATM 0 H81 NAG A 179 9.891 -6.550 4.226 1.00 0.00 H new HETATM 0 H62 NAG A 179 17.852 -6.087 6.521 1.00 0.00 H new HETATM 0 H61 NAG A 179 18.203 -5.747 4.838 1.00 0.00 H new HETATM 0 H5 NAG A 179 15.451 -5.944 6.121 1.00 0.00 H new HETATM 0 H4 NAG A 179 16.815 -7.623 4.039 1.00 0.00 H new HETATM 0 H3 NAG A 179 14.024 -7.822 5.193 1.00 0.00 H new HETATM 0 H2 NAG A 179 14.910 -7.112 2.392 1.00 0.00 H new HETATM 1437 C1 BMA A 180 17.797 -8.594 6.100 1.00 0.00 C HETATM 1438 C2 BMA A 180 18.064 -9.174 7.476 1.00 0.00 C HETATM 1439 C3 BMA A 180 19.513 -9.613 7.592 1.00 0.00 C HETATM 1440 C4 BMA A 180 19.883 -10.532 6.440 1.00 0.00 C HETATM 1441 C5 BMA A 180 19.518 -9.893 5.104 1.00 0.00 C HETATM 1442 C6 BMA A 180 19.747 -10.825 3.931 1.00 0.00 C HETATM 1443 O2 BMA A 180 17.218 -10.298 7.677 1.00 0.00 O HETATM 1444 O3 BMA A 180 19.693 -10.318 8.837 1.00 0.00 O HETATM 1445 O4 BMA A 180 21.281 -10.777 6.470 1.00 0.00 O HETATM 1446 O5 BMA A 180 18.128 -9.526 5.069 1.00 0.00 O HETATM 1447 O6 BMA A 180 21.154 -11.051 3.746 1.00 0.00 O HETATM 0 HO4 BMA A 180 21.602 -10.951 5.561 1.00 0.00 H new HETATM 0 HO2 BMA A 180 17.672 -10.951 8.250 1.00 0.00 H new HETATM 0 H62 BMA A 180 19.239 -11.773 4.106 1.00 0.00 H new HETATM 0 H61 BMA A 180 19.318 -10.395 3.026 1.00 0.00 H new HETATM 0 H5 BMA A 180 20.164 -9.020 5.017 1.00 0.00 H new HETATM 0 H4 BMA A 180 19.332 -11.466 6.546 1.00 0.00 H new HETATM 0 H3 BMA A 180 20.154 -8.732 7.560 1.00 0.00 H new HETATM 0 H2 BMA A 180 17.864 -8.412 8.229 1.00 0.00 H new HETATM 1457 C1 MAN A 181 20.059 -9.526 9.931 1.00 0.00 C HETATM 1458 C2 MAN A 181 21.480 -9.022 9.727 1.00 0.00 C HETATM 1459 C3 MAN A 181 22.467 -10.175 9.776 1.00 0.00 C HETATM 1460 C4 MAN A 181 22.296 -10.955 11.067 1.00 0.00 C HETATM 1461 C5 MAN A 181 20.846 -11.389 11.238 1.00 0.00 C HETATM 1462 C6 MAN A 181 20.590 -12.035 12.585 1.00 0.00 C HETATM 1463 O2 MAN A 181 21.796 -8.105 10.787 1.00 0.00 O HETATM 1464 O3 MAN A 181 23.789 -9.660 9.709 1.00 0.00 O HETATM 1465 O4 MAN A 181 23.131 -12.104 11.034 1.00 0.00 O HETATM 1466 O5 MAN A 181 19.953 -10.261 11.148 1.00 0.00 O HETATM 1467 O6 MAN A 181 19.227 -12.408 12.724 1.00 0.00 O HETATM 0 HO6 MAN A 181 18.660 -11.755 12.263 1.00 0.00 H new HETATM 0 HO4 MAN A 181 23.277 -12.429 11.947 1.00 0.00 H new HETATM 0 HO3 MAN A 181 23.807 -8.754 10.083 1.00 0.00 H new HETATM 0 H62 MAN A 181 21.224 -12.915 12.696 1.00 0.00 H new HETATM 0 H61 MAN A 181 20.864 -11.343 13.381 1.00 0.00 H new HETATM 0 H5 MAN A 181 20.663 -12.107 10.439 1.00 0.00 H new HETATM 0 H4 MAN A 181 22.573 -10.316 11.906 1.00 0.00 H new HETATM 0 H3 MAN A 181 22.283 -10.840 8.932 1.00 0.00 H new HETATM 0 H2 MAN A 181 21.549 -8.535 8.754 1.00 0.00 H new HETATM 1478 C1 MAN A 182 21.628 -10.403 2.601 1.00 0.00 C HETATM 1479 C2 MAN A 182 23.085 -10.777 2.398 1.00 0.00 C HETATM 1480 C3 MAN A 182 23.958 -10.164 3.480 1.00 0.00 C HETATM 1481 C4 MAN A 182 23.731 -8.664 3.550 1.00 0.00 C HETATM 1482 C5 MAN A 182 22.252 -8.363 3.736 1.00 0.00 C HETATM 1483 C6 MAN A 182 21.953 -6.878 3.676 1.00 0.00 C HETATM 1484 O2 MAN A 182 23.497 -10.269 1.123 1.00 0.00 O HETATM 1485 O3 MAN A 182 25.322 -10.418 3.177 1.00 0.00 O HETATM 1486 O4 MAN A 182 24.462 -8.126 4.642 1.00 0.00 O HETATM 1487 O5 MAN A 182 21.465 -8.987 2.701 1.00 0.00 O HETATM 1488 O6 MAN A 182 20.570 -6.621 3.868 1.00 0.00 O HETATM 0 HO6 MAN A 182 20.048 -7.386 3.548 1.00 0.00 H new HETATM 0 HO4 MAN A 182 25.270 -8.661 4.790 1.00 0.00 H new HETATM 0 HO3 MAN A 182 25.435 -10.481 2.206 1.00 0.00 H new HETATM 0 H62 MAN A 182 22.531 -6.358 4.440 1.00 0.00 H new HETATM 0 H61 MAN A 182 22.268 -6.480 2.711 1.00 0.00 H new HETATM 0 H5 MAN A 182 21.995 -8.754 4.721 1.00 0.00 H new HETATM 0 H4 MAN A 182 24.071 -8.211 2.619 1.00 0.00 H new HETATM 0 H3 MAN A 182 23.699 -10.607 4.442 1.00 0.00 H new HETATM 0 H2 MAN A 182 23.191 -11.861 2.445 1.00 0.00 H new HETATM 1499 C1 NAG A 183 23.619 -11.181 0.091 1.00 0.00 C HETATM 1500 C2 NAG A 183 23.796 -10.394 -1.212 1.00 0.00 C HETATM 1501 C3 NAG A 183 24.104 -11.330 -2.367 1.00 0.00 C HETATM 1502 C4 NAG A 183 25.285 -12.212 -2.022 1.00 0.00 C HETATM 1503 C5 NAG A 183 25.037 -12.926 -0.707 1.00 0.00 C HETATM 1504 C6 NAG A 183 26.226 -13.755 -0.264 1.00 0.00 C HETATM 1505 C7 NAG A 183 21.428 -10.350 -1.633 1.00 0.00 C HETATM 1506 C8 NAG A 183 20.146 -9.541 -1.721 1.00 0.00 C HETATM 1507 N2 NAG A 183 22.566 -9.680 -1.489 1.00 0.00 N HETATM 1508 O3 NAG A 183 24.410 -10.564 -3.524 1.00 0.00 O HETATM 1509 O4 NAG A 183 25.477 -13.190 -3.065 1.00 0.00 O HETATM 1510 O5 NAG A 183 24.773 -11.979 0.345 1.00 0.00 O HETATM 1511 O6 NAG A 183 25.972 -14.399 0.976 1.00 0.00 O HETATM 1512 O7 NAG A 183 21.381 -11.579 -1.691 1.00 0.00 O HETATM 0 HO6 NAG A 183 25.324 -13.874 1.490 1.00 0.00 H new HETATM 0 HO3 NAG A 183 24.007 -10.985 -4.311 1.00 0.00 H new HETATM 0 HN2 NAG A 183 22.574 -8.664 -1.573 1.00 0.00 H new HETATM 0 H83 NAG A 183 20.022 -8.955 -0.810 1.00 0.00 H new HETATM 0 H82 NAG A 183 20.197 -8.871 -2.579 1.00 0.00 H new HETATM 0 H81 NAG A 183 19.297 -10.215 -1.837 1.00 0.00 H new HETATM 0 H62 NAG A 183 26.455 -14.502 -1.024 1.00 0.00 H new HETATM 0 H61 NAG A 183 27.104 -13.115 -0.171 1.00 0.00 H new HETATM 0 H5 NAG A 183 24.181 -13.577 -0.882 1.00 0.00 H new HETATM 0 H4 NAG A 183 26.175 -11.590 -1.930 1.00 0.00 H new HETATM 0 H3 NAG A 183 23.234 -11.959 -2.558 1.00 0.00 H new HETATM 0 H2 NAG A 183 24.628 -9.698 -1.101 1.00 0.00 H new HETATM 1526 C1 NAG A 184 21.656 -6.755 10.521 1.00 0.00 C HETATM 1527 C2 NAG A 184 22.057 -5.973 11.774 1.00 0.00 C HETATM 1528 C3 NAG A 184 22.016 -4.481 11.500 1.00 0.00 C HETATM 1529 C4 NAG A 184 22.862 -4.147 10.288 1.00 0.00 C HETATM 1530 C5 NAG A 184 22.461 -5.019 9.104 1.00 0.00 C HETATM 1531 C6 NAG A 184 23.369 -4.822 7.906 1.00 0.00 C HETATM 1532 C7 NAG A 184 20.126 -7.111 12.731 1.00 0.00 C HETATM 1533 C8 NAG A 184 19.353 -7.481 13.985 1.00 0.00 C HETATM 1534 N2 NAG A 184 21.157 -6.279 12.879 1.00 0.00 N HETATM 1535 O3 NAG A 184 22.520 -3.785 12.631 1.00 0.00 O HETATM 1536 O4 NAG A 184 22.668 -2.761 9.945 1.00 0.00 O HETATM 1537 O5 NAG A 184 22.529 -6.417 9.446 1.00 0.00 O HETATM 1538 O6 NAG A 184 23.148 -3.560 7.292 1.00 0.00 O HETATM 1539 O7 NAG A 184 19.775 -7.571 11.647 1.00 0.00 O HETATM 0 HO6 NAG A 184 23.748 -3.460 6.524 1.00 0.00 H new HETATM 0 HO3 NAG A 184 23.188 -3.130 12.341 1.00 0.00 H new HETATM 0 HN2 NAG A 184 21.320 -5.846 13.788 1.00 0.00 H new HETATM 0 H83 NAG A 184 20.022 -7.968 14.695 1.00 0.00 H new HETATM 0 H82 NAG A 184 18.939 -6.579 14.436 1.00 0.00 H new HETATM 0 H81 NAG A 184 18.542 -8.162 13.725 1.00 0.00 H new HETATM 0 H62 NAG A 184 24.410 -4.899 8.220 1.00 0.00 H new HETATM 0 H61 NAG A 184 23.195 -5.617 7.181 1.00 0.00 H new HETATM 0 H5 NAG A 184 21.444 -4.719 8.853 1.00 0.00 H new HETATM 0 H4 NAG A 184 23.910 -4.333 10.524 1.00 0.00 H new HETATM 0 H3 NAG A 184 20.986 -4.182 11.306 1.00 0.00 H new HETATM 0 H2 NAG A 184 23.071 -6.267 12.044 1.00 0.00 H new HETATM 1553 C1 GAL A 185 23.806 -1.971 9.946 1.00 0.00 C HETATM 1554 C2 GAL A 185 23.440 -0.540 9.566 1.00 0.00 C HETATM 1555 C3 GAL A 185 24.654 0.366 9.677 1.00 0.00 C HETATM 1556 C4 GAL A 185 25.301 0.225 11.044 1.00 0.00 C HETATM 1557 C5 GAL A 185 25.587 -1.238 11.351 1.00 0.00 C HETATM 1558 C6 GAL A 185 26.133 -1.442 12.751 1.00 0.00 C HETATM 1559 O2 GAL A 185 22.963 -0.521 8.228 1.00 0.00 O HETATM 1560 O3 GAL A 185 24.251 1.715 9.490 1.00 0.00 O HETATM 1561 O4 GAL A 185 24.419 0.743 12.031 1.00 0.00 O HETATM 1562 O5 GAL A 185 24.388 -2.029 11.254 1.00 0.00 O HETATM 1563 O6 GAL A 185 25.257 -0.907 13.731 1.00 0.00 O HETATM 0 HO6 GAL A 185 25.635 -1.055 14.623 1.00 0.00 H new HETATM 0 HO4 GAL A 185 24.358 0.112 12.778 1.00 0.00 H new HETATM 0 HO3 GAL A 185 23.957 2.090 10.346 1.00 0.00 H new HETATM 0 HO2 GAL A 185 22.973 -1.431 7.864 1.00 0.00 H new HETATM 0 H62 GAL A 185 26.280 -2.506 12.934 1.00 0.00 H new HETATM 0 H61 GAL A 185 27.110 -0.966 12.835 1.00 0.00 H new HETATM 0 H5 GAL A 185 26.329 -1.550 10.616 1.00 0.00 H new HETATM 0 H4 GAL A 185 26.241 0.777 11.048 1.00 0.00 H new HETATM 0 H3 GAL A 185 25.376 0.080 8.913 1.00 0.00 H new HETATM 0 H2 GAL A 185 22.668 -0.180 10.246 1.00 0.00 H new HETATM 1575 C1 GAL A 186 26.096 -12.758 -4.231 1.00 0.00 C HETATM 1576 C2 GAL A 186 27.489 -12.218 -3.914 1.00 0.00 C HETATM 1577 C3 GAL A 186 28.244 -11.897 -5.191 1.00 0.00 C HETATM 1578 C4 GAL A 186 28.236 -13.091 -6.128 1.00 0.00 C HETATM 1579 C5 GAL A 186 26.813 -13.572 -6.363 1.00 0.00 C HETATM 1580 C6 GAL A 186 26.762 -14.830 -7.205 1.00 0.00 C HETATM 1581 O2 GAL A 186 27.372 -11.030 -3.146 1.00 0.00 O HETATM 1582 O3 GAL A 186 29.586 -11.563 -4.867 1.00 0.00 O HETATM 1583 O4 GAL A 186 28.993 -14.142 -5.547 1.00 0.00 O HETATM 1584 O5 GAL A 186 26.162 -13.883 -5.118 1.00 0.00 O HETATM 1585 O6 GAL A 186 25.425 -15.270 -7.388 1.00 0.00 O HETATM 0 HO6 GAL A 186 24.867 -14.935 -6.655 1.00 0.00 H new HETATM 0 HO4 GAL A 186 28.403 -14.713 -5.012 1.00 0.00 H new HETATM 0 HO3 GAL A 186 30.142 -12.369 -4.906 1.00 0.00 H new HETATM 0 HO2 GAL A 186 27.924 -11.106 -2.340 1.00 0.00 H new HETATM 0 H62 GAL A 186 27.222 -14.641 -8.175 1.00 0.00 H new HETATM 0 H61 GAL A 186 27.344 -15.616 -6.725 1.00 0.00 H new HETATM 0 H5 GAL A 186 26.310 -12.756 -6.882 1.00 0.00 H new HETATM 0 H4 GAL A 186 28.671 -12.795 -7.083 1.00 0.00 H new HETATM 0 H3 GAL A 186 27.758 -11.058 -5.688 1.00 0.00 H new HETATM 0 H2 GAL A 186 28.034 -12.980 -3.357 1.00 0.00 H new