USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 530 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 13 THR OG1 : rot 180:sc= -0.186 USER MOD Set 1.2: A 73 MET CE :methyl -136:sc= -2.46! (180deg=-2.82) USER MOD Set 2.1: A 49 THR OG1 : rot -59:sc= 1.36 USER MOD Set 2.2: A 60 LYS NZ :NH3+ -161:sc= 1.47 (180deg=0.422) USER MOD Set 2.3: A 74 THR OG1 : rot 95:sc= 1.91 USER MOD Set 3.1: A 18 SER OG : rot 172:sc= 1.36 USER MOD Set 3.2: A 46 SER OG : rot -158:sc= 0.939 USER MOD Set 3.3: A 47 HIS : no HE2:sc= 1.29 K(o=3.6,f=-6.9!) USER MOD Single : A 12 HIS : no HD1:sc= -0.0268 X(o=-0.027,f=0) USER MOD Single : A 15 ASN :FLIP amide:sc= -0.135 F(o=-1.5,f=-0.13) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 1.04 K(o=1,f=-6.5!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.13 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0885 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.64) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot -129:sc= 0.646 USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0343 USER MOD Single : A 51 ASN : amide:sc= 2.13 K(o=2.1,f=-4!) USER MOD Single : A 53 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.134) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= -0.0242 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.135 X(o=-0.13,f=-0.12) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -168:sc= 1.24 (180deg=1.12) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -34:sc= 0.191 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 10 2.493 0.062 13.871 1.00 3.75 N ATOM 2 CA CYS A 10 2.094 -0.334 12.505 1.00 3.34 C ATOM 3 C CYS A 10 3.059 0.212 11.451 1.00 3.18 C ATOM 4 O CYS A 10 2.773 0.175 10.252 1.00 3.37 O ATOM 5 CB CYS A 10 0.670 0.136 12.224 1.00 2.99 C ATOM 6 SG CYS A 10 -0.589 -0.747 13.200 1.00 3.12 S ATOM 0 HA CYS A 10 2.132 -1.422 12.445 1.00 3.34 H new ATOM 0 HB2 CYS A 10 0.599 1.203 12.434 1.00 2.99 H new ATOM 0 HB3 CYS A 10 0.455 0.005 11.164 1.00 2.99 H new ATOM 11 N VAL A 11 4.215 0.699 11.889 1.00 3.25 N ATOM 12 CA VAL A 11 5.227 1.190 10.966 1.00 3.21 C ATOM 13 C VAL A 11 6.093 0.032 10.481 1.00 2.44 C ATOM 14 O VAL A 11 7.134 -0.269 11.066 1.00 2.96 O ATOM 15 CB VAL A 11 6.128 2.263 11.616 1.00 4.32 C ATOM 16 CG1 VAL A 11 7.073 2.871 10.588 1.00 4.88 C ATOM 17 CG2 VAL A 11 5.291 3.347 12.274 1.00 5.17 C ATOM 0 H VAL A 11 4.472 0.763 12.874 1.00 3.25 H new ATOM 0 HA VAL A 11 4.707 1.649 10.125 1.00 3.21 H new ATOM 0 HB VAL A 11 6.726 1.777 12.387 1.00 4.32 H new ATOM 0 HG11 VAL A 11 7.698 3.624 11.069 1.00 4.88 H new ATOM 0 HG12 VAL A 11 7.706 2.089 10.168 1.00 4.88 H new ATOM 0 HG13 VAL A 11 6.493 3.336 9.791 1.00 4.88 H new ATOM 0 HG21 VAL A 11 5.948 4.091 12.725 1.00 5.17 H new ATOM 0 HG22 VAL A 11 4.661 3.826 11.524 1.00 5.17 H new ATOM 0 HG23 VAL A 11 4.662 2.903 13.046 1.00 5.17 H new ATOM 27 N HIS A 12 5.647 -0.633 9.425 1.00 1.79 N ATOM 28 CA HIS A 12 6.389 -1.762 8.872 1.00 1.77 C ATOM 29 C HIS A 12 7.615 -1.283 8.111 1.00 1.51 C ATOM 30 O HIS A 12 8.711 -1.812 8.284 1.00 2.26 O ATOM 31 CB HIS A 12 5.515 -2.603 7.935 1.00 2.38 C ATOM 32 CG HIS A 12 4.418 -3.353 8.620 1.00 3.01 C ATOM 33 ND1 HIS A 12 4.440 -4.717 8.804 1.00 4.01 N ATOM 34 CD2 HIS A 12 3.245 -2.925 9.140 1.00 3.32 C ATOM 35 CE1 HIS A 12 3.328 -5.095 9.406 1.00 4.72 C ATOM 36 NE2 HIS A 12 2.584 -4.024 9.622 1.00 4.33 N ATOM 0 H HIS A 12 4.780 -0.414 8.935 1.00 1.79 H new ATOM 0 HA HIS A 12 6.701 -2.381 9.713 1.00 1.77 H new ATOM 0 HB2 HIS A 12 5.076 -1.948 7.183 1.00 2.38 H new ATOM 0 HB3 HIS A 12 6.150 -3.314 7.407 1.00 2.38 H new ATOM 0 HD2 HIS A 12 2.894 -1.904 9.170 1.00 3.32 H new ATOM 0 HE1 HIS A 12 3.070 -6.108 9.676 1.00 4.72 H new ATOM 0 HE2 HIS A 12 1.669 -4.017 10.073 1.00 4.33 H new ATOM 45 N THR A 13 7.408 -0.263 7.284 1.00 1.05 N ATOM 46 CA THR A 13 8.443 0.255 6.397 1.00 0.80 C ATOM 47 C THR A 13 8.906 -0.834 5.423 1.00 0.84 C ATOM 48 O THR A 13 8.294 -1.017 4.370 1.00 1.82 O ATOM 49 CB THR A 13 9.637 0.838 7.182 1.00 1.18 C ATOM 50 OG1 THR A 13 9.159 1.704 8.218 1.00 1.45 O ATOM 51 CG2 THR A 13 10.571 1.616 6.263 1.00 1.93 C ATOM 0 H THR A 13 6.517 0.228 7.210 1.00 1.05 H new ATOM 0 HA THR A 13 8.008 1.074 5.824 1.00 0.80 H new ATOM 0 HB THR A 13 10.193 0.009 7.619 1.00 1.18 H new ATOM 0 HG1 THR A 13 9.920 2.071 8.715 1.00 1.45 H new ATOM 0 HG21 THR A 13 11.403 2.015 6.843 1.00 1.93 H new ATOM 0 HG22 THR A 13 10.955 0.953 5.488 1.00 1.93 H new ATOM 0 HG23 THR A 13 10.025 2.437 5.800 1.00 1.93 H new ATOM 59 N GLY A 14 9.965 -1.562 5.771 1.00 0.79 N ATOM 60 CA GLY A 14 10.374 -2.701 4.977 1.00 0.83 C ATOM 61 C GLY A 14 11.179 -2.333 3.747 1.00 0.86 C ATOM 62 O GLY A 14 12.241 -2.910 3.503 1.00 1.81 O ATOM 0 H GLY A 14 10.545 -1.380 6.590 1.00 0.79 H new ATOM 0 HA2 GLY A 14 10.966 -3.372 5.599 1.00 0.83 H new ATOM 0 HA3 GLY A 14 9.487 -3.253 4.667 1.00 0.83 H new ATOM 66 N ASN A 15 10.673 -1.375 2.976 1.00 0.68 N ATOM 67 CA ASN A 15 11.198 -1.078 1.646 1.00 0.59 C ATOM 68 C ASN A 15 10.875 -2.245 0.730 1.00 0.47 C ATOM 69 O ASN A 15 11.734 -2.780 0.028 1.00 0.46 O ATOM 70 CB ASN A 15 12.705 -0.788 1.662 1.00 0.71 C ATOM 71 CG ASN A 15 13.060 0.432 2.490 1.00 1.48 C ATOM 72 OD1 ASN A 15 12.172 1.417 2.520 1.00 2.06 O flip ATOM 73 ND2 ASN A 15 14.130 0.493 3.094 1.00 2.23 N flip ATOM 0 H ASN A 15 9.890 -0.784 3.254 1.00 0.68 H new ATOM 0 HA ASN A 15 10.722 -0.169 1.277 1.00 0.59 H new ATOM 0 HB2 ASN A 15 13.233 -1.656 2.057 1.00 0.71 H new ATOM 0 HB3 ASN A 15 13.053 -0.641 0.640 1.00 0.71 H new ATOM 0 HD21 ASN A 15 14.787 -0.285 3.047 1.00 2.23 H new ATOM 0 HD22 ASN A 15 14.360 1.322 3.642 1.00 2.23 H new ATOM 80 N ILE A 16 9.614 -2.640 0.773 1.00 0.46 N ATOM 81 CA ILE A 16 9.111 -3.752 -0.012 1.00 0.46 C ATOM 82 C ILE A 16 7.928 -3.291 -0.852 1.00 0.47 C ATOM 83 O ILE A 16 6.951 -2.755 -0.323 1.00 0.57 O ATOM 84 CB ILE A 16 8.680 -4.963 0.875 1.00 0.56 C ATOM 85 CG1 ILE A 16 9.882 -5.834 1.252 1.00 0.72 C ATOM 86 CG2 ILE A 16 7.628 -5.818 0.185 1.00 0.58 C ATOM 87 CD1 ILE A 16 10.637 -5.351 2.465 1.00 0.77 C ATOM 0 H ILE A 16 8.907 -2.195 1.358 1.00 0.46 H new ATOM 0 HA ILE A 16 9.925 -4.090 -0.654 1.00 0.46 H new ATOM 0 HB ILE A 16 8.247 -4.546 1.784 1.00 0.56 H new ATOM 0 HG12 ILE A 16 9.537 -6.852 1.434 1.00 0.72 H new ATOM 0 HG13 ILE A 16 10.566 -5.876 0.405 1.00 0.72 H new ATOM 0 HG21 ILE A 16 7.353 -6.650 0.833 1.00 0.58 H new ATOM 0 HG22 ILE A 16 6.745 -5.213 -0.022 1.00 0.58 H new ATOM 0 HG23 ILE A 16 8.030 -6.204 -0.751 1.00 0.58 H new ATOM 0 HD11 ILE A 16 11.472 -6.022 2.665 1.00 0.77 H new ATOM 0 HD12 ILE A 16 11.015 -4.345 2.281 1.00 0.77 H new ATOM 0 HD13 ILE A 16 9.970 -5.336 3.327 1.00 0.77 H new ATOM 99 N GLY A 17 8.038 -3.480 -2.153 1.00 0.41 N ATOM 100 CA GLY A 17 6.934 -3.202 -3.037 1.00 0.44 C ATOM 101 C GLY A 17 6.058 -4.423 -3.186 1.00 0.37 C ATOM 102 O GLY A 17 6.396 -5.492 -2.673 1.00 0.35 O ATOM 0 H GLY A 17 8.880 -3.824 -2.615 1.00 0.41 H new ATOM 0 HA2 GLY A 17 6.347 -2.371 -2.646 1.00 0.44 H new ATOM 0 HA3 GLY A 17 7.310 -2.895 -4.013 1.00 0.44 H new ATOM 106 N SER A 18 4.953 -4.302 -3.891 1.00 0.39 N ATOM 107 CA SER A 18 4.065 -5.431 -4.047 1.00 0.32 C ATOM 108 C SER A 18 3.491 -5.494 -5.453 1.00 0.37 C ATOM 109 O SER A 18 2.961 -4.511 -5.961 1.00 0.45 O ATOM 110 CB SER A 18 2.943 -5.375 -3.006 1.00 0.32 C ATOM 111 OG SER A 18 2.274 -6.622 -2.909 1.00 1.00 O ATOM 0 H SER A 18 4.652 -3.447 -4.358 1.00 0.39 H new ATOM 0 HA SER A 18 4.645 -6.340 -3.886 1.00 0.32 H new ATOM 0 HB2 SER A 18 3.357 -5.104 -2.035 1.00 0.32 H new ATOM 0 HB3 SER A 18 2.230 -4.596 -3.277 1.00 0.32 H new ATOM 0 HG SER A 18 1.648 -6.599 -2.156 1.00 1.00 H new ATOM 117 N LYS A 19 3.589 -6.665 -6.071 1.00 0.39 N ATOM 118 CA LYS A 19 3.059 -6.869 -7.414 1.00 0.49 C ATOM 119 C LYS A 19 1.551 -7.094 -7.379 1.00 0.38 C ATOM 120 O LYS A 19 0.939 -7.437 -8.389 1.00 0.41 O ATOM 121 CB LYS A 19 3.746 -8.043 -8.093 1.00 0.69 C ATOM 122 CG LYS A 19 5.210 -7.817 -8.392 1.00 0.96 C ATOM 123 CD LYS A 19 5.407 -6.671 -9.359 1.00 1.10 C ATOM 124 CE LYS A 19 4.865 -7.001 -10.743 1.00 1.75 C ATOM 125 NZ LYS A 19 5.126 -5.909 -11.718 1.00 2.49 N ATOM 0 H LYS A 19 4.031 -7.489 -5.663 1.00 0.39 H new ATOM 0 HA LYS A 19 3.260 -5.966 -7.990 1.00 0.49 H new ATOM 0 HB2 LYS A 19 3.648 -8.923 -7.458 1.00 0.69 H new ATOM 0 HB3 LYS A 19 3.226 -8.264 -9.025 1.00 0.69 H new ATOM 0 HG2 LYS A 19 5.744 -7.608 -7.465 1.00 0.96 H new ATOM 0 HG3 LYS A 19 5.642 -8.726 -8.811 1.00 0.96 H new ATOM 0 HD2 LYS A 19 4.907 -5.781 -8.975 1.00 1.10 H new ATOM 0 HD3 LYS A 19 6.469 -6.434 -9.431 1.00 1.10 H new ATOM 0 HE2 LYS A 19 5.322 -7.924 -11.101 1.00 1.75 H new ATOM 0 HE3 LYS A 19 3.792 -7.181 -10.679 1.00 1.75 H new ATOM 0 HZ1 LYS A 19 4.741 -6.174 -12.647 1.00 2.49 H new ATOM 0 HZ2 LYS A 19 4.669 -5.034 -11.390 1.00 2.49 H new ATOM 0 HZ3 LYS A 19 6.151 -5.754 -11.799 1.00 2.49 H new ATOM 139 N ALA A 20 0.963 -6.917 -6.205 1.00 0.31 N ATOM 140 CA ALA A 20 -0.479 -7.010 -6.049 1.00 0.26 C ATOM 141 C ALA A 20 -1.156 -5.833 -6.738 1.00 0.21 C ATOM 142 O ALA A 20 -0.625 -4.719 -6.747 1.00 0.27 O ATOM 143 CB ALA A 20 -0.844 -7.046 -4.576 1.00 0.23 C ATOM 0 H ALA A 20 1.466 -6.707 -5.343 1.00 0.31 H new ATOM 0 HA ALA A 20 -0.827 -7.932 -6.514 1.00 0.26 H new ATOM 0 HB1 ALA A 20 -1.927 -7.116 -4.471 1.00 0.23 H new ATOM 0 HB2 ALA A 20 -0.377 -7.912 -4.107 1.00 0.23 H new ATOM 0 HB3 ALA A 20 -0.490 -6.136 -4.091 1.00 0.23 H new ATOM 149 N GLN A 21 -2.317 -6.085 -7.318 1.00 0.24 N ATOM 150 CA GLN A 21 -3.039 -5.079 -8.068 1.00 0.25 C ATOM 151 C GLN A 21 -3.615 -4.004 -7.149 1.00 0.21 C ATOM 152 O GLN A 21 -4.222 -4.313 -6.118 1.00 0.23 O ATOM 153 CB GLN A 21 -4.164 -5.747 -8.847 1.00 0.33 C ATOM 154 CG GLN A 21 -4.410 -5.118 -10.198 1.00 1.08 C ATOM 155 CD GLN A 21 -5.582 -5.739 -10.924 1.00 1.45 C ATOM 156 OE1 GLN A 21 -6.534 -6.207 -10.300 1.00 1.96 O ATOM 157 NE2 GLN A 21 -5.526 -5.746 -12.244 1.00 1.95 N ATOM 0 H GLN A 21 -2.783 -6.992 -7.281 1.00 0.24 H new ATOM 0 HA GLN A 21 -2.343 -4.595 -8.753 1.00 0.25 H new ATOM 0 HB2 GLN A 21 -3.926 -6.802 -8.983 1.00 0.33 H new ATOM 0 HB3 GLN A 21 -5.081 -5.700 -8.260 1.00 0.33 H new ATOM 0 HG2 GLN A 21 -4.591 -4.051 -10.070 1.00 1.08 H new ATOM 0 HG3 GLN A 21 -3.514 -5.218 -10.810 1.00 1.08 H new ATOM 0 HE21 GLN A 21 -4.718 -5.347 -12.722 1.00 1.95 H new ATOM 0 HE22 GLN A 21 -6.291 -6.150 -12.785 1.00 1.95 H new ATOM 166 N THR A 22 -3.413 -2.746 -7.529 1.00 0.22 N ATOM 167 CA THR A 22 -3.986 -1.620 -6.807 1.00 0.22 C ATOM 168 C THR A 22 -5.504 -1.617 -6.985 1.00 0.24 C ATOM 169 O THR A 22 -6.014 -1.810 -8.090 1.00 0.29 O ATOM 170 CB THR A 22 -3.394 -0.288 -7.324 1.00 0.26 C ATOM 171 OG1 THR A 22 -2.298 -0.561 -8.206 1.00 0.57 O ATOM 172 CG2 THR A 22 -2.905 0.596 -6.178 1.00 0.28 C ATOM 0 H THR A 22 -2.852 -2.482 -8.339 1.00 0.22 H new ATOM 0 HA THR A 22 -3.744 -1.720 -5.749 1.00 0.22 H new ATOM 0 HB THR A 22 -4.185 0.245 -7.852 1.00 0.26 H new ATOM 0 HG1 THR A 22 -1.924 0.283 -8.535 1.00 0.57 H new ATOM 0 HG21 THR A 22 -2.496 1.522 -6.582 1.00 0.28 H new ATOM 0 HG22 THR A 22 -3.739 0.826 -5.515 1.00 0.28 H new ATOM 0 HG23 THR A 22 -2.131 0.071 -5.619 1.00 0.28 H new ATOM 180 N ILE A 23 -6.221 -1.415 -5.887 1.00 0.23 N ATOM 181 CA ILE A 23 -7.680 -1.503 -5.884 1.00 0.28 C ATOM 182 C ILE A 23 -8.297 -0.343 -6.653 1.00 0.36 C ATOM 183 O ILE A 23 -9.471 -0.380 -7.024 1.00 0.43 O ATOM 184 CB ILE A 23 -8.234 -1.519 -4.447 1.00 0.28 C ATOM 185 CG1 ILE A 23 -7.289 -2.304 -3.550 1.00 0.22 C ATOM 186 CG2 ILE A 23 -9.624 -2.139 -4.407 1.00 0.34 C ATOM 187 CD1 ILE A 23 -7.878 -2.672 -2.219 1.00 0.26 C ATOM 0 H ILE A 23 -5.814 -1.187 -4.980 1.00 0.23 H new ATOM 0 HA ILE A 23 -7.949 -2.438 -6.375 1.00 0.28 H new ATOM 0 HB ILE A 23 -8.310 -0.492 -4.090 1.00 0.28 H new ATOM 0 HG12 ILE A 23 -6.986 -3.215 -4.067 1.00 0.22 H new ATOM 0 HG13 ILE A 23 -6.386 -1.715 -3.386 1.00 0.22 H new ATOM 0 HG21 ILE A 23 -9.993 -2.139 -3.381 1.00 0.34 H new ATOM 0 HG22 ILE A 23 -10.299 -1.559 -5.036 1.00 0.34 H new ATOM 0 HG23 ILE A 23 -9.576 -3.164 -4.775 1.00 0.34 H new ATOM 0 HD11 ILE A 23 -7.144 -3.230 -1.638 1.00 0.26 H new ATOM 0 HD12 ILE A 23 -8.155 -1.766 -1.680 1.00 0.26 H new ATOM 0 HD13 ILE A 23 -8.764 -3.288 -2.371 1.00 0.26 H new ATOM 199 N GLY A 24 -7.490 0.673 -6.895 1.00 0.38 N ATOM 200 CA GLY A 24 -7.935 1.825 -7.641 1.00 0.45 C ATOM 201 C GLY A 24 -6.763 2.645 -8.126 1.00 0.31 C ATOM 202 O GLY A 24 -5.636 2.149 -8.168 1.00 0.34 O ATOM 0 H GLY A 24 -6.520 0.720 -6.583 1.00 0.38 H new ATOM 0 HA2 GLY A 24 -8.534 1.502 -8.493 1.00 0.45 H new ATOM 0 HA3 GLY A 24 -8.579 2.441 -7.014 1.00 0.45 H new ATOM 206 N GLU A 25 -7.020 3.895 -8.482 1.00 0.26 N ATOM 207 CA GLU A 25 -5.962 4.793 -8.925 1.00 0.29 C ATOM 208 C GLU A 25 -5.046 5.129 -7.756 1.00 0.25 C ATOM 209 O GLU A 25 -5.477 5.122 -6.598 1.00 0.32 O ATOM 210 CB GLU A 25 -6.556 6.076 -9.503 1.00 0.46 C ATOM 211 CG GLU A 25 -7.588 5.835 -10.589 1.00 1.30 C ATOM 212 CD GLU A 25 -8.042 7.117 -11.248 1.00 1.45 C ATOM 213 OE1 GLU A 25 -8.700 7.939 -10.574 1.00 2.04 O ATOM 214 OE2 GLU A 25 -7.741 7.314 -12.444 1.00 1.33 O ATOM 0 H GLU A 25 -7.951 4.311 -8.473 1.00 0.26 H new ATOM 0 HA GLU A 25 -5.385 4.294 -9.704 1.00 0.29 H new ATOM 0 HB2 GLU A 25 -7.016 6.648 -8.697 1.00 0.46 H new ATOM 0 HB3 GLU A 25 -5.751 6.688 -9.909 1.00 0.46 H new ATOM 0 HG2 GLU A 25 -7.168 5.171 -11.344 1.00 1.30 H new ATOM 0 HG3 GLU A 25 -8.451 5.325 -10.160 1.00 1.30 H new ATOM 221 N VAL A 26 -3.787 5.416 -8.048 1.00 0.23 N ATOM 222 CA VAL A 26 -2.834 5.727 -6.998 1.00 0.20 C ATOM 223 C VAL A 26 -2.936 7.187 -6.616 1.00 0.22 C ATOM 224 O VAL A 26 -2.571 8.075 -7.386 1.00 0.24 O ATOM 225 CB VAL A 26 -1.382 5.413 -7.399 1.00 0.21 C ATOM 226 CG1 VAL A 26 -0.481 5.453 -6.176 1.00 0.19 C ATOM 227 CG2 VAL A 26 -1.311 4.061 -8.085 1.00 0.26 C ATOM 0 H VAL A 26 -3.406 5.440 -8.994 1.00 0.23 H new ATOM 0 HA VAL A 26 -3.089 5.092 -6.149 1.00 0.20 H new ATOM 0 HB VAL A 26 -1.034 6.170 -8.102 1.00 0.21 H new ATOM 0 HG11 VAL A 26 0.544 5.229 -6.472 1.00 0.19 H new ATOM 0 HG12 VAL A 26 -0.521 6.445 -5.727 1.00 0.19 H new ATOM 0 HG13 VAL A 26 -0.819 4.713 -5.451 1.00 0.19 H new ATOM 0 HG21 VAL A 26 -0.279 3.849 -8.365 1.00 0.26 H new ATOM 0 HG22 VAL A 26 -1.669 3.288 -7.404 1.00 0.26 H new ATOM 0 HG23 VAL A 26 -1.934 4.074 -8.979 1.00 0.26 H new ATOM 237 N LYS A 27 -3.453 7.428 -5.433 1.00 0.28 N ATOM 238 CA LYS A 27 -3.566 8.773 -4.919 1.00 0.33 C ATOM 239 C LYS A 27 -2.523 8.984 -3.840 1.00 0.26 C ATOM 240 O LYS A 27 -2.266 8.089 -3.033 1.00 0.31 O ATOM 241 CB LYS A 27 -4.974 9.022 -4.374 1.00 0.48 C ATOM 242 CG LYS A 27 -6.060 8.886 -5.432 1.00 1.03 C ATOM 243 CD LYS A 27 -7.435 9.227 -4.882 1.00 1.43 C ATOM 244 CE LYS A 27 -7.865 8.255 -3.799 1.00 2.04 C ATOM 245 NZ LYS A 27 -9.208 8.585 -3.257 1.00 2.50 N ATOM 0 H LYS A 27 -3.804 6.705 -4.805 1.00 0.28 H new ATOM 0 HA LYS A 27 -3.392 9.485 -5.725 1.00 0.33 H new ATOM 0 HB2 LYS A 27 -5.173 8.318 -3.566 1.00 0.48 H new ATOM 0 HB3 LYS A 27 -5.018 10.023 -3.944 1.00 0.48 H new ATOM 0 HG2 LYS A 27 -5.832 9.542 -6.272 1.00 1.03 H new ATOM 0 HG3 LYS A 27 -6.066 7.866 -5.817 1.00 1.03 H new ATOM 0 HD2 LYS A 27 -7.424 10.239 -4.478 1.00 1.43 H new ATOM 0 HD3 LYS A 27 -8.164 9.214 -5.692 1.00 1.43 H new ATOM 0 HE2 LYS A 27 -7.876 7.243 -4.204 1.00 2.04 H new ATOM 0 HE3 LYS A 27 -7.135 8.267 -2.990 1.00 2.04 H new ATOM 0 HZ1 LYS A 27 -9.464 7.897 -2.520 1.00 2.50 H new ATOM 0 HZ2 LYS A 27 -9.192 9.541 -2.848 1.00 2.50 H new ATOM 0 HZ3 LYS A 27 -9.910 8.549 -4.023 1.00 2.50 H new ATOM 259 N ARG A 28 -1.902 10.150 -3.845 1.00 0.26 N ATOM 260 CA ARG A 28 -0.850 10.439 -2.892 1.00 0.23 C ATOM 261 C ARG A 28 -1.465 10.645 -1.511 1.00 0.21 C ATOM 262 O ARG A 28 -2.482 11.328 -1.372 1.00 0.29 O ATOM 263 CB ARG A 28 -0.046 11.673 -3.314 1.00 0.31 C ATOM 264 CG ARG A 28 0.159 11.799 -4.816 1.00 1.25 C ATOM 265 CD ARG A 28 1.109 12.935 -5.150 1.00 1.23 C ATOM 266 NE ARG A 28 1.416 12.997 -6.579 1.00 1.92 N ATOM 267 CZ ARG A 28 2.598 13.368 -7.072 1.00 2.19 C ATOM 268 NH1 ARG A 28 3.582 13.729 -6.254 1.00 1.66 N ATOM 269 NH2 ARG A 28 2.795 13.383 -8.386 1.00 3.25 N ATOM 0 H ARG A 28 -2.108 10.908 -4.496 1.00 0.26 H new ATOM 0 HA ARG A 28 -0.161 9.595 -2.860 1.00 0.23 H new ATOM 0 HB2 ARG A 28 -0.555 12.566 -2.952 1.00 0.31 H new ATOM 0 HB3 ARG A 28 0.929 11.642 -2.827 1.00 0.31 H new ATOM 0 HG2 ARG A 28 0.555 10.863 -5.211 1.00 1.25 H new ATOM 0 HG3 ARG A 28 -0.801 11.970 -5.303 1.00 1.25 H new ATOM 0 HD2 ARG A 28 0.668 13.880 -4.834 1.00 1.23 H new ATOM 0 HD3 ARG A 28 2.034 12.811 -4.587 1.00 1.23 H new ATOM 0 HE ARG A 28 0.681 12.741 -7.238 1.00 1.92 H new ATOM 0 HH11 ARG A 28 3.434 13.723 -5.245 1.00 1.66 H new ATOM 0 HH12 ARG A 28 4.485 14.012 -6.636 1.00 1.66 H new ATOM 0 HH21 ARG A 28 2.042 13.111 -9.018 1.00 3.25 H new ATOM 0 HH22 ARG A 28 3.699 13.667 -8.763 1.00 3.25 H new ATOM 283 N ALA A 29 -0.861 10.041 -0.502 1.00 0.17 N ATOM 284 CA ALA A 29 -1.403 10.071 0.845 1.00 0.19 C ATOM 285 C ALA A 29 -0.589 10.990 1.738 1.00 0.24 C ATOM 286 O ALA A 29 0.571 11.295 1.454 1.00 0.33 O ATOM 287 CB ALA A 29 -1.446 8.668 1.428 1.00 0.16 C ATOM 0 H ALA A 29 0.011 9.520 -0.592 1.00 0.17 H new ATOM 0 HA ALA A 29 -2.419 10.461 0.794 1.00 0.19 H new ATOM 0 HB1 ALA A 29 -1.854 8.706 2.438 1.00 0.16 H new ATOM 0 HB2 ALA A 29 -2.077 8.034 0.805 1.00 0.16 H new ATOM 0 HB3 ALA A 29 -0.437 8.256 1.460 1.00 0.16 H new ATOM 293 N SER A 30 -1.217 11.432 2.817 1.00 0.30 N ATOM 294 CA SER A 30 -0.591 12.334 3.768 1.00 0.37 C ATOM 295 C SER A 30 0.468 11.610 4.595 1.00 0.29 C ATOM 296 O SER A 30 1.403 12.230 5.100 1.00 0.42 O ATOM 297 CB SER A 30 -1.664 12.939 4.680 1.00 0.53 C ATOM 298 OG SER A 30 -1.106 13.836 5.624 1.00 1.37 O ATOM 0 H SER A 30 -2.174 11.175 3.057 1.00 0.30 H new ATOM 0 HA SER A 30 -0.093 13.133 3.218 1.00 0.37 H new ATOM 0 HB2 SER A 30 -2.403 13.462 4.074 1.00 0.53 H new ATOM 0 HB3 SER A 30 -2.189 12.140 5.204 1.00 0.53 H new ATOM 0 HG SER A 30 -1.819 14.203 6.187 1.00 1.37 H new ATOM 304 N SER A 31 0.326 10.297 4.711 1.00 0.19 N ATOM 305 CA SER A 31 1.234 9.491 5.512 1.00 0.19 C ATOM 306 C SER A 31 0.953 8.007 5.287 1.00 0.18 C ATOM 307 O SER A 31 -0.032 7.662 4.626 1.00 0.21 O ATOM 308 CB SER A 31 1.082 9.850 6.984 1.00 0.25 C ATOM 309 OG SER A 31 2.020 9.169 7.798 1.00 0.78 O ATOM 0 H SER A 31 -0.416 9.765 4.256 1.00 0.19 H new ATOM 0 HA SER A 31 2.260 9.697 5.208 1.00 0.19 H new ATOM 0 HB2 SER A 31 1.207 10.925 7.109 1.00 0.25 H new ATOM 0 HB3 SER A 31 0.072 9.606 7.314 1.00 0.25 H new ATOM 0 HG SER A 31 1.890 9.428 8.734 1.00 0.78 H new ATOM 315 N LEU A 32 1.804 7.131 5.815 1.00 0.17 N ATOM 316 CA LEU A 32 1.583 5.693 5.688 1.00 0.18 C ATOM 317 C LEU A 32 0.286 5.299 6.379 1.00 0.18 C ATOM 318 O LEU A 32 -0.531 4.562 5.821 1.00 0.21 O ATOM 319 CB LEU A 32 2.752 4.900 6.270 1.00 0.20 C ATOM 320 CG LEU A 32 2.500 3.395 6.382 1.00 0.26 C ATOM 321 CD1 LEU A 32 3.195 2.651 5.261 1.00 0.81 C ATOM 322 CD2 LEU A 32 2.930 2.868 7.733 1.00 0.87 C ATOM 0 H LEU A 32 2.646 7.388 6.330 1.00 0.17 H new ATOM 0 HA LEU A 32 1.509 5.455 4.627 1.00 0.18 H new ATOM 0 HB2 LEU A 32 3.632 5.064 5.648 1.00 0.20 H new ATOM 0 HB3 LEU A 32 2.984 5.292 7.260 1.00 0.20 H new ATOM 0 HG LEU A 32 1.427 3.225 6.288 1.00 0.26 H new ATOM 0 HD11 LEU A 32 3.003 1.583 5.359 1.00 0.81 H new ATOM 0 HD12 LEU A 32 2.815 3.001 4.301 1.00 0.81 H new ATOM 0 HD13 LEU A 32 4.268 2.833 5.314 1.00 0.81 H new ATOM 0 HD21 LEU A 32 2.739 1.796 7.783 1.00 0.87 H new ATOM 0 HD22 LEU A 32 3.995 3.054 7.874 1.00 0.87 H new ATOM 0 HD23 LEU A 32 2.367 3.374 8.517 1.00 0.87 H new ATOM 334 N SER A 33 0.090 5.822 7.583 1.00 0.21 N ATOM 335 CA SER A 33 -1.123 5.565 8.344 1.00 0.24 C ATOM 336 C SER A 33 -2.354 6.052 7.577 1.00 0.20 C ATOM 337 O SER A 33 -3.437 5.478 7.686 1.00 0.20 O ATOM 338 CB SER A 33 -1.039 6.253 9.706 1.00 0.31 C ATOM 339 OG SER A 33 0.161 5.898 10.379 1.00 0.99 O ATOM 0 H SER A 33 0.760 6.430 8.054 1.00 0.21 H new ATOM 0 HA SER A 33 -1.219 4.490 8.495 1.00 0.24 H new ATOM 0 HB2 SER A 33 -1.081 7.334 9.575 1.00 0.31 H new ATOM 0 HB3 SER A 33 -1.899 5.972 10.314 1.00 0.31 H new ATOM 0 HG SER A 33 0.195 6.351 11.248 1.00 0.99 H new ATOM 345 N GLU A 34 -2.171 7.104 6.783 1.00 0.20 N ATOM 346 CA GLU A 34 -3.242 7.627 5.945 1.00 0.20 C ATOM 347 C GLU A 34 -3.586 6.624 4.853 1.00 0.18 C ATOM 348 O GLU A 34 -4.754 6.396 4.541 1.00 0.20 O ATOM 349 CB GLU A 34 -2.831 8.948 5.311 1.00 0.26 C ATOM 350 CG GLU A 34 -3.983 9.658 4.636 1.00 0.36 C ATOM 351 CD GLU A 34 -5.000 10.178 5.627 1.00 1.03 C ATOM 352 OE1 GLU A 34 -4.813 11.292 6.152 1.00 1.69 O ATOM 353 OE2 GLU A 34 -5.996 9.472 5.883 1.00 1.20 O ATOM 0 H GLU A 34 -1.289 7.610 6.704 1.00 0.20 H new ATOM 0 HA GLU A 34 -4.117 7.795 6.573 1.00 0.20 H new ATOM 0 HB2 GLU A 34 -2.409 9.598 6.078 1.00 0.26 H new ATOM 0 HB3 GLU A 34 -2.044 8.765 4.579 1.00 0.26 H new ATOM 0 HG2 GLU A 34 -3.598 10.489 4.045 1.00 0.36 H new ATOM 0 HG3 GLU A 34 -4.472 8.974 3.943 1.00 0.36 H new ATOM 360 N CYS A 35 -2.554 6.017 4.283 1.00 0.17 N ATOM 361 CA CYS A 35 -2.735 5.014 3.245 1.00 0.16 C ATOM 362 C CYS A 35 -3.469 3.802 3.807 1.00 0.16 C ATOM 363 O CYS A 35 -4.191 3.109 3.090 1.00 0.20 O ATOM 364 CB CYS A 35 -1.383 4.596 2.661 1.00 0.19 C ATOM 365 SG CYS A 35 -1.520 3.494 1.223 1.00 0.20 S ATOM 0 H CYS A 35 -1.580 6.203 4.524 1.00 0.17 H new ATOM 0 HA CYS A 35 -3.336 5.446 2.445 1.00 0.16 H new ATOM 0 HB2 CYS A 35 -0.830 5.490 2.372 1.00 0.19 H new ATOM 0 HB3 CYS A 35 -0.801 4.097 3.436 1.00 0.19 H new ATOM 370 N ARG A 36 -3.299 3.563 5.103 1.00 0.18 N ATOM 371 CA ARG A 36 -4.006 2.484 5.773 1.00 0.22 C ATOM 372 C ARG A 36 -5.507 2.737 5.739 1.00 0.25 C ATOM 373 O ARG A 36 -6.290 1.820 5.522 1.00 0.28 O ATOM 374 CB ARG A 36 -3.531 2.340 7.215 1.00 0.26 C ATOM 375 CG ARG A 36 -4.109 1.128 7.927 1.00 0.35 C ATOM 376 CD ARG A 36 -3.500 0.958 9.305 1.00 0.46 C ATOM 377 NE ARG A 36 -2.043 0.951 9.245 1.00 1.31 N ATOM 378 CZ ARG A 36 -1.261 1.855 9.832 1.00 1.67 C ATOM 379 NH1 ARG A 36 -1.780 2.792 10.618 1.00 1.32 N ATOM 380 NH2 ARG A 36 0.049 1.809 9.631 1.00 2.77 N ATOM 0 H ARG A 36 -2.679 4.102 5.707 1.00 0.18 H new ATOM 0 HA ARG A 36 -3.791 1.555 5.245 1.00 0.22 H new ATOM 0 HB2 ARG A 36 -2.443 2.273 7.226 1.00 0.26 H new ATOM 0 HB3 ARG A 36 -3.800 3.239 7.769 1.00 0.26 H new ATOM 0 HG2 ARG A 36 -5.190 1.236 8.015 1.00 0.35 H new ATOM 0 HG3 ARG A 36 -3.926 0.233 7.333 1.00 0.35 H new ATOM 0 HD2 ARG A 36 -3.835 1.766 9.955 1.00 0.46 H new ATOM 0 HD3 ARG A 36 -3.852 0.026 9.748 1.00 0.46 H new ATOM 0 HE ARG A 36 -1.592 0.203 8.718 1.00 1.31 H new ATOM 0 HH11 ARG A 36 -2.787 2.824 10.777 1.00 1.32 H new ATOM 0 HH12 ARG A 36 -1.171 3.479 11.062 1.00 1.32 H new ATOM 0 HH21 ARG A 36 0.448 1.086 9.032 1.00 2.77 H new ATOM 0 HH22 ARG A 36 0.658 2.496 10.075 1.00 2.77 H new ATOM 394 N ALA A 37 -5.899 3.993 5.931 1.00 0.29 N ATOM 395 CA ALA A 37 -7.306 4.379 5.861 1.00 0.37 C ATOM 396 C ALA A 37 -7.810 4.322 4.424 1.00 0.37 C ATOM 397 O ALA A 37 -8.969 4.000 4.169 1.00 0.42 O ATOM 398 CB ALA A 37 -7.507 5.767 6.442 1.00 0.41 C ATOM 0 H ALA A 37 -5.262 4.762 6.137 1.00 0.29 H new ATOM 0 HA ALA A 37 -7.885 3.670 6.454 1.00 0.37 H new ATOM 0 HB1 ALA A 37 -8.561 6.038 6.381 1.00 0.41 H new ATOM 0 HB2 ALA A 37 -7.190 5.774 7.485 1.00 0.41 H new ATOM 0 HB3 ALA A 37 -6.914 6.487 5.878 1.00 0.41 H new ATOM 404 N ARG A 38 -6.925 4.627 3.485 1.00 0.33 N ATOM 405 CA ARG A 38 -7.244 4.514 2.066 1.00 0.36 C ATOM 406 C ARG A 38 -7.484 3.058 1.691 1.00 0.34 C ATOM 407 O ARG A 38 -8.318 2.752 0.836 1.00 0.42 O ATOM 408 CB ARG A 38 -6.124 5.102 1.213 1.00 0.39 C ATOM 409 CG ARG A 38 -6.330 6.557 0.840 1.00 0.73 C ATOM 410 CD ARG A 38 -6.521 7.415 2.068 1.00 1.47 C ATOM 411 NE ARG A 38 -6.633 8.836 1.743 1.00 1.91 N ATOM 412 CZ ARG A 38 -7.333 9.715 2.463 1.00 2.93 C ATOM 413 NH1 ARG A 38 -7.982 9.325 3.552 1.00 3.77 N ATOM 414 NH2 ARG A 38 -7.388 10.986 2.090 1.00 3.34 N ATOM 0 H ARG A 38 -5.979 4.955 3.679 1.00 0.33 H new ATOM 0 HA ARG A 38 -8.156 5.080 1.874 1.00 0.36 H new ATOM 0 HB2 ARG A 38 -5.182 5.006 1.753 1.00 0.39 H new ATOM 0 HB3 ARG A 38 -6.030 4.514 0.300 1.00 0.39 H new ATOM 0 HG2 ARG A 38 -5.470 6.915 0.273 1.00 0.73 H new ATOM 0 HG3 ARG A 38 -7.200 6.649 0.190 1.00 0.73 H new ATOM 0 HD2 ARG A 38 -7.419 7.094 2.596 1.00 1.47 H new ATOM 0 HD3 ARG A 38 -5.681 7.265 2.747 1.00 1.47 H new ATOM 0 HE ARG A 38 -6.146 9.177 0.914 1.00 1.91 H new ATOM 0 HH11 ARG A 38 -7.948 8.348 3.844 1.00 3.77 H new ATOM 0 HH12 ARG A 38 -8.515 10.002 4.098 1.00 3.77 H new ATOM 0 HH21 ARG A 38 -6.895 11.293 1.252 1.00 3.34 H new ATOM 0 HH22 ARG A 38 -7.923 11.657 2.641 1.00 3.34 H new ATOM 428 N CYS A 39 -6.761 2.163 2.345 1.00 0.28 N ATOM 429 CA CYS A 39 -6.930 0.738 2.121 1.00 0.31 C ATOM 430 C CYS A 39 -8.069 0.200 2.984 1.00 0.32 C ATOM 431 O CYS A 39 -8.733 -0.765 2.622 1.00 0.38 O ATOM 432 CB CYS A 39 -5.626 -0.006 2.420 1.00 0.36 C ATOM 433 SG CYS A 39 -5.251 -1.343 1.237 1.00 0.95 S ATOM 0 H CYS A 39 -6.050 2.400 3.037 1.00 0.28 H new ATOM 0 HA CYS A 39 -7.184 0.575 1.074 1.00 0.31 H new ATOM 0 HB2 CYS A 39 -4.803 0.709 2.419 1.00 0.36 H new ATOM 0 HB3 CYS A 39 -5.681 -0.427 3.424 1.00 0.36 H new ATOM 438 N GLN A 40 -8.305 0.848 4.121 1.00 0.35 N ATOM 439 CA GLN A 40 -9.399 0.483 5.008 1.00 0.41 C ATOM 440 C GLN A 40 -10.736 0.773 4.331 1.00 0.39 C ATOM 441 O GLN A 40 -11.742 0.120 4.611 1.00 0.44 O ATOM 442 CB GLN A 40 -9.286 1.237 6.330 1.00 0.48 C ATOM 443 CG GLN A 40 -10.281 2.348 6.420 1.00 0.85 C ATOM 444 CD GLN A 40 -10.228 3.127 7.716 1.00 1.23 C ATOM 445 OE1 GLN A 40 -9.903 2.587 8.773 1.00 1.75 O ATOM 446 NE2 GLN A 40 -10.539 4.409 7.641 1.00 1.90 N ATOM 0 H GLN A 40 -7.746 1.635 4.450 1.00 0.35 H new ATOM 0 HA GLN A 40 -9.342 -0.584 5.221 1.00 0.41 H new ATOM 0 HB2 GLN A 40 -9.438 0.545 7.158 1.00 0.48 H new ATOM 0 HB3 GLN A 40 -8.279 1.641 6.433 1.00 0.48 H new ATOM 0 HG2 GLN A 40 -10.117 3.035 5.590 1.00 0.85 H new ATOM 0 HG3 GLN A 40 -11.282 1.934 6.299 1.00 0.85 H new ATOM 0 HE21 GLN A 40 -10.803 4.818 6.745 1.00 1.90 H new ATOM 0 HE22 GLN A 40 -10.515 4.990 8.479 1.00 1.90 H new ATOM 455 N ALA A 41 -10.726 1.754 3.435 1.00 0.36 N ATOM 456 CA ALA A 41 -11.908 2.116 2.673 1.00 0.37 C ATOM 457 C ALA A 41 -12.292 0.992 1.722 1.00 0.32 C ATOM 458 O ALA A 41 -13.464 0.805 1.404 1.00 0.41 O ATOM 459 CB ALA A 41 -11.660 3.407 1.909 1.00 0.45 C ATOM 0 H ALA A 41 -9.902 2.315 3.220 1.00 0.36 H new ATOM 0 HA ALA A 41 -12.737 2.275 3.363 1.00 0.37 H new ATOM 0 HB1 ALA A 41 -12.552 3.670 1.341 1.00 0.45 H new ATOM 0 HB2 ALA A 41 -11.428 4.207 2.612 1.00 0.45 H new ATOM 0 HB3 ALA A 41 -10.822 3.270 1.226 1.00 0.45 H new ATOM 465 N GLU A 42 -11.297 0.235 1.284 1.00 0.37 N ATOM 466 CA GLU A 42 -11.528 -0.898 0.407 1.00 0.43 C ATOM 467 C GLU A 42 -11.684 -2.174 1.226 1.00 0.46 C ATOM 468 O GLU A 42 -10.804 -2.533 2.011 1.00 0.66 O ATOM 469 CB GLU A 42 -10.365 -1.070 -0.569 1.00 0.51 C ATOM 470 CG GLU A 42 -10.061 0.157 -1.412 1.00 0.37 C ATOM 471 CD GLU A 42 -11.263 0.665 -2.179 1.00 1.03 C ATOM 472 OE1 GLU A 42 -11.696 -0.019 -3.127 1.00 1.53 O ATOM 473 OE2 GLU A 42 -11.784 1.748 -1.837 1.00 1.47 O ATOM 0 H GLU A 42 -10.318 0.388 1.524 1.00 0.37 H new ATOM 0 HA GLU A 42 -12.442 -0.709 -0.155 1.00 0.43 H new ATOM 0 HB2 GLU A 42 -9.471 -1.338 -0.005 1.00 0.51 H new ATOM 0 HB3 GLU A 42 -10.586 -1.906 -1.233 1.00 0.51 H new ATOM 0 HG2 GLU A 42 -9.688 0.951 -0.765 1.00 0.37 H new ATOM 0 HG3 GLU A 42 -9.263 -0.082 -2.115 1.00 0.37 H new ATOM 480 N LYS A 43 -12.800 -2.859 1.045 1.00 0.49 N ATOM 481 CA LYS A 43 -13.032 -4.128 1.717 1.00 0.54 C ATOM 482 C LYS A 43 -12.167 -5.209 1.077 1.00 0.50 C ATOM 483 O LYS A 43 -11.769 -6.183 1.717 1.00 0.67 O ATOM 484 CB LYS A 43 -14.519 -4.494 1.640 1.00 0.66 C ATOM 485 CG LYS A 43 -14.908 -5.709 2.470 1.00 1.47 C ATOM 486 CD LYS A 43 -14.729 -7.011 1.706 1.00 2.04 C ATOM 487 CE LYS A 43 -15.021 -8.217 2.584 1.00 2.80 C ATOM 488 NZ LYS A 43 -14.849 -9.498 1.849 1.00 3.38 N ATOM 0 H LYS A 43 -13.562 -2.558 0.437 1.00 0.49 H new ATOM 0 HA LYS A 43 -12.758 -4.043 2.768 1.00 0.54 H new ATOM 0 HB2 LYS A 43 -15.109 -3.639 1.970 1.00 0.66 H new ATOM 0 HB3 LYS A 43 -14.782 -4.680 0.599 1.00 0.66 H new ATOM 0 HG2 LYS A 43 -14.303 -5.736 3.376 1.00 1.47 H new ATOM 0 HG3 LYS A 43 -15.948 -5.614 2.784 1.00 1.47 H new ATOM 0 HD2 LYS A 43 -15.392 -7.020 0.841 1.00 2.04 H new ATOM 0 HD3 LYS A 43 -13.709 -7.074 1.327 1.00 2.04 H new ATOM 0 HE2 LYS A 43 -14.358 -8.204 3.449 1.00 2.80 H new ATOM 0 HE3 LYS A 43 -16.041 -8.151 2.963 1.00 2.80 H new ATOM 0 HZ1 LYS A 43 -15.058 -10.294 2.485 1.00 3.38 H new ATOM 0 HZ2 LYS A 43 -15.499 -9.523 1.038 1.00 3.38 H new ATOM 0 HZ3 LYS A 43 -13.869 -9.574 1.509 1.00 3.38 H new ATOM 502 N GLU A 44 -11.871 -5.012 -0.196 1.00 0.38 N ATOM 503 CA GLU A 44 -11.042 -5.940 -0.957 1.00 0.40 C ATOM 504 C GLU A 44 -9.587 -5.903 -0.495 1.00 0.35 C ATOM 505 O GLU A 44 -8.833 -6.848 -0.728 1.00 0.37 O ATOM 506 CB GLU A 44 -11.105 -5.601 -2.443 1.00 0.53 C ATOM 507 CG GLU A 44 -12.502 -5.663 -3.027 1.00 0.98 C ATOM 508 CD GLU A 44 -12.530 -5.293 -4.494 1.00 1.37 C ATOM 509 OE1 GLU A 44 -12.560 -4.083 -4.805 1.00 1.87 O ATOM 510 OE2 GLU A 44 -12.530 -6.212 -5.342 1.00 1.96 O ATOM 0 H GLU A 44 -12.196 -4.208 -0.733 1.00 0.38 H new ATOM 0 HA GLU A 44 -11.432 -6.943 -0.787 1.00 0.40 H new ATOM 0 HB2 GLU A 44 -10.702 -4.600 -2.595 1.00 0.53 H new ATOM 0 HB3 GLU A 44 -10.462 -6.290 -2.991 1.00 0.53 H new ATOM 0 HG2 GLU A 44 -12.901 -6.669 -2.901 1.00 0.98 H new ATOM 0 HG3 GLU A 44 -13.155 -4.989 -2.472 1.00 0.98 H new ATOM 517 N CYS A 45 -9.201 -4.812 0.153 1.00 0.32 N ATOM 518 CA CYS A 45 -7.814 -4.603 0.558 1.00 0.31 C ATOM 519 C CYS A 45 -7.336 -5.672 1.528 1.00 0.33 C ATOM 520 O CYS A 45 -8.073 -6.104 2.414 1.00 0.55 O ATOM 521 CB CYS A 45 -7.644 -3.221 1.196 1.00 0.38 C ATOM 522 SG CYS A 45 -6.065 -2.996 2.081 1.00 0.62 S ATOM 0 H CYS A 45 -9.832 -4.053 0.411 1.00 0.32 H new ATOM 0 HA CYS A 45 -7.205 -4.668 -0.344 1.00 0.31 H new ATOM 0 HB2 CYS A 45 -7.723 -2.462 0.418 1.00 0.38 H new ATOM 0 HB3 CYS A 45 -8.465 -3.051 1.892 1.00 0.38 H new ATOM 527 N SER A 46 -6.104 -6.104 1.334 1.00 0.25 N ATOM 528 CA SER A 46 -5.451 -7.009 2.261 1.00 0.27 C ATOM 529 C SER A 46 -4.206 -6.342 2.837 1.00 0.26 C ATOM 530 O SER A 46 -3.848 -6.538 4.000 1.00 0.35 O ATOM 531 CB SER A 46 -5.086 -8.309 1.541 1.00 0.30 C ATOM 532 OG SER A 46 -4.399 -8.041 0.322 1.00 1.28 O ATOM 0 H SER A 46 -5.530 -5.839 0.533 1.00 0.25 H new ATOM 0 HA SER A 46 -6.129 -7.246 3.081 1.00 0.27 H new ATOM 0 HB2 SER A 46 -4.460 -8.924 2.188 1.00 0.30 H new ATOM 0 HB3 SER A 46 -5.991 -8.881 1.335 1.00 0.30 H new ATOM 0 HG SER A 46 -4.487 -8.810 -0.279 1.00 1.28 H new ATOM 538 N HIS A 47 -3.572 -5.523 2.008 1.00 0.21 N ATOM 539 CA HIS A 47 -2.352 -4.824 2.373 1.00 0.20 C ATOM 540 C HIS A 47 -2.179 -3.628 1.449 1.00 0.18 C ATOM 541 O HIS A 47 -2.790 -3.573 0.384 1.00 0.22 O ATOM 542 CB HIS A 47 -1.138 -5.759 2.256 1.00 0.22 C ATOM 543 CG HIS A 47 -0.806 -6.140 0.845 1.00 0.22 C ATOM 544 ND1 HIS A 47 -1.612 -6.946 0.068 1.00 0.26 N ATOM 545 CD2 HIS A 47 0.238 -5.788 0.059 1.00 0.30 C ATOM 546 CE1 HIS A 47 -1.081 -7.070 -1.131 1.00 0.29 C ATOM 547 NE2 HIS A 47 0.044 -6.379 -1.165 1.00 0.32 N ATOM 0 H HIS A 47 -3.893 -5.326 1.060 1.00 0.21 H new ATOM 0 HA HIS A 47 -2.423 -4.488 3.408 1.00 0.20 H new ATOM 0 HB2 HIS A 47 -0.272 -5.274 2.705 1.00 0.22 H new ATOM 0 HB3 HIS A 47 -1.331 -6.664 2.832 1.00 0.22 H new ATOM 0 HD1 HIS A 47 -2.483 -7.379 0.374 1.00 0.26 H new ATOM 0 HD2 HIS A 47 1.069 -5.159 0.342 1.00 0.30 H new ATOM 0 HE1 HIS A 47 -1.496 -7.641 -1.949 1.00 0.29 H new ATOM 556 N TYR A 48 -1.339 -2.691 1.832 1.00 0.15 N ATOM 557 CA TYR A 48 -1.123 -1.505 1.023 1.00 0.14 C ATOM 558 C TYR A 48 0.360 -1.238 0.853 1.00 0.13 C ATOM 559 O TYR A 48 1.166 -1.572 1.720 1.00 0.17 O ATOM 560 CB TYR A 48 -1.811 -0.291 1.659 1.00 0.16 C ATOM 561 CG TYR A 48 -1.417 -0.062 3.100 1.00 0.20 C ATOM 562 CD1 TYR A 48 -0.267 0.645 3.414 1.00 0.28 C ATOM 563 CD2 TYR A 48 -2.203 -0.535 4.143 1.00 0.26 C ATOM 564 CE1 TYR A 48 0.085 0.882 4.724 1.00 0.36 C ATOM 565 CE2 TYR A 48 -1.854 -0.306 5.456 1.00 0.34 C ATOM 566 CZ TYR A 48 -0.675 0.308 5.748 1.00 0.40 C ATOM 567 OH TYR A 48 -0.373 0.657 7.053 1.00 0.47 O ATOM 0 H TYR A 48 -0.795 -2.724 2.694 1.00 0.15 H new ATOM 0 HA TYR A 48 -1.559 -1.678 0.039 1.00 0.14 H new ATOM 0 HB2 TYR A 48 -1.569 0.599 1.078 1.00 0.16 H new ATOM 0 HB3 TYR A 48 -2.891 -0.425 1.603 1.00 0.16 H new ATOM 0 HD1 TYR A 48 0.363 1.016 2.619 1.00 0.28 H new ATOM 0 HD2 TYR A 48 -3.102 -1.091 3.921 1.00 0.26 H new ATOM 0 HE1 TYR A 48 0.937 1.503 4.958 1.00 0.36 H new ATOM 0 HE2 TYR A 48 -2.515 -0.613 6.253 1.00 0.34 H new ATOM 0 HH TYR A 48 -0.257 -0.154 7.590 1.00 0.47 H new ATOM 577 N THR A 49 0.713 -0.655 -0.272 1.00 0.13 N ATOM 578 CA THR A 49 2.078 -0.249 -0.524 1.00 0.13 C ATOM 579 C THR A 49 2.159 1.269 -0.561 1.00 0.12 C ATOM 580 O THR A 49 1.613 1.911 -1.447 1.00 0.18 O ATOM 581 CB THR A 49 2.606 -0.841 -1.845 1.00 0.15 C ATOM 582 OG1 THR A 49 2.698 -2.271 -1.745 1.00 0.17 O ATOM 583 CG2 THR A 49 3.964 -0.258 -2.200 1.00 0.16 C ATOM 0 H THR A 49 0.066 -0.450 -1.033 1.00 0.13 H new ATOM 0 HA THR A 49 2.703 -0.630 0.284 1.00 0.13 H new ATOM 0 HB THR A 49 1.904 -0.581 -2.637 1.00 0.15 H new ATOM 0 HG1 THR A 49 3.297 -2.509 -1.007 1.00 0.17 H new ATOM 0 HG21 THR A 49 4.313 -0.693 -3.136 1.00 0.16 H new ATOM 0 HG22 THR A 49 3.878 0.823 -2.312 1.00 0.16 H new ATOM 0 HG23 THR A 49 4.676 -0.485 -1.407 1.00 0.16 H new ATOM 591 N TYR A 50 2.816 1.833 0.421 1.00 0.17 N ATOM 592 CA TYR A 50 2.934 3.269 0.524 1.00 0.16 C ATOM 593 C TYR A 50 4.321 3.715 0.103 1.00 0.14 C ATOM 594 O TYR A 50 5.287 3.550 0.849 1.00 0.16 O ATOM 595 CB TYR A 50 2.654 3.698 1.961 1.00 0.20 C ATOM 596 CG TYR A 50 2.852 5.171 2.226 1.00 0.19 C ATOM 597 CD1 TYR A 50 2.045 6.124 1.624 1.00 0.20 C ATOM 598 CD2 TYR A 50 3.842 5.604 3.099 1.00 0.20 C ATOM 599 CE1 TYR A 50 2.219 7.468 1.883 1.00 0.23 C ATOM 600 CE2 TYR A 50 4.021 6.937 3.363 1.00 0.23 C ATOM 601 CZ TYR A 50 3.208 7.870 2.754 1.00 0.25 C ATOM 602 OH TYR A 50 3.387 9.207 3.019 1.00 0.28 O ATOM 0 H TYR A 50 3.281 1.316 1.167 1.00 0.17 H new ATOM 0 HA TYR A 50 2.207 3.738 -0.140 1.00 0.16 H new ATOM 0 HB2 TYR A 50 1.627 3.432 2.213 1.00 0.20 H new ATOM 0 HB3 TYR A 50 3.303 3.131 2.629 1.00 0.20 H new ATOM 0 HD1 TYR A 50 1.269 5.810 0.942 1.00 0.20 H new ATOM 0 HD2 TYR A 50 4.482 4.878 3.578 1.00 0.20 H new ATOM 0 HE1 TYR A 50 1.584 8.200 1.406 1.00 0.23 H new ATOM 0 HE2 TYR A 50 4.795 7.255 4.045 1.00 0.23 H new ATOM 0 HH TYR A 50 4.125 9.319 3.654 1.00 0.28 H new ATOM 612 N ASN A 51 4.427 4.266 -1.094 1.00 0.16 N ATOM 613 CA ASN A 51 5.689 4.818 -1.544 1.00 0.20 C ATOM 614 C ASN A 51 5.929 6.120 -0.806 1.00 0.19 C ATOM 615 O ASN A 51 5.428 7.170 -1.196 1.00 0.22 O ATOM 616 CB ASN A 51 5.685 5.057 -3.055 1.00 0.27 C ATOM 617 CG ASN A 51 7.027 5.551 -3.563 1.00 0.34 C ATOM 618 OD1 ASN A 51 7.281 6.756 -3.618 1.00 0.44 O ATOM 619 ND2 ASN A 51 7.898 4.624 -3.927 1.00 0.62 N ATOM 0 H ASN A 51 3.662 4.342 -1.764 1.00 0.16 H new ATOM 0 HA ASN A 51 6.489 4.109 -1.331 1.00 0.20 H new ATOM 0 HB2 ASN A 51 5.424 4.131 -3.567 1.00 0.27 H new ATOM 0 HB3 ASN A 51 4.914 5.786 -3.303 1.00 0.27 H new ATOM 0 HD21 ASN A 51 8.820 4.896 -4.269 1.00 0.62 H new ATOM 0 HD22 ASN A 51 7.648 3.637 -3.866 1.00 0.62 H new ATOM 626 N VAL A 52 6.699 6.035 0.262 1.00 0.18 N ATOM 627 CA VAL A 52 6.884 7.151 1.173 1.00 0.22 C ATOM 628 C VAL A 52 7.734 8.246 0.533 1.00 0.31 C ATOM 629 O VAL A 52 7.696 9.402 0.952 1.00 0.44 O ATOM 630 CB VAL A 52 7.531 6.670 2.487 1.00 0.27 C ATOM 631 CG1 VAL A 52 8.966 6.237 2.260 1.00 0.91 C ATOM 632 CG2 VAL A 52 7.443 7.736 3.564 1.00 1.04 C ATOM 0 H VAL A 52 7.213 5.194 0.523 1.00 0.18 H new ATOM 0 HA VAL A 52 5.903 7.571 1.397 1.00 0.22 H new ATOM 0 HB VAL A 52 6.972 5.802 2.836 1.00 0.27 H new ATOM 0 HG11 VAL A 52 9.399 5.902 3.203 1.00 0.91 H new ATOM 0 HG12 VAL A 52 8.990 5.419 1.540 1.00 0.91 H new ATOM 0 HG13 VAL A 52 9.543 7.077 1.874 1.00 0.91 H new ATOM 0 HG21 VAL A 52 7.907 7.368 4.479 1.00 1.04 H new ATOM 0 HG22 VAL A 52 7.962 8.635 3.230 1.00 1.04 H new ATOM 0 HG23 VAL A 52 6.397 7.972 3.758 1.00 1.04 H new ATOM 642 N LYS A 53 8.483 7.876 -0.497 1.00 0.33 N ATOM 643 CA LYS A 53 9.334 8.820 -1.203 1.00 0.45 C ATOM 644 C LYS A 53 8.504 9.877 -1.930 1.00 0.44 C ATOM 645 O LYS A 53 8.649 11.071 -1.664 1.00 0.59 O ATOM 646 CB LYS A 53 10.254 8.077 -2.172 1.00 0.58 C ATOM 647 CG LYS A 53 11.541 7.584 -1.528 1.00 1.03 C ATOM 648 CD LYS A 53 12.448 8.745 -1.142 1.00 1.31 C ATOM 649 CE LYS A 53 13.712 8.269 -0.444 1.00 1.33 C ATOM 650 NZ LYS A 53 13.421 7.636 0.868 1.00 1.68 N ATOM 0 H LYS A 53 8.517 6.924 -0.862 1.00 0.33 H new ATOM 0 HA LYS A 53 9.952 9.340 -0.471 1.00 0.45 H new ATOM 0 HB2 LYS A 53 9.717 7.226 -2.590 1.00 0.58 H new ATOM 0 HB3 LYS A 53 10.502 8.737 -3.003 1.00 0.58 H new ATOM 0 HG2 LYS A 53 11.304 6.995 -0.642 1.00 1.03 H new ATOM 0 HG3 LYS A 53 12.066 6.924 -2.219 1.00 1.03 H new ATOM 0 HD2 LYS A 53 12.717 9.308 -2.036 1.00 1.31 H new ATOM 0 HD3 LYS A 53 11.906 9.427 -0.487 1.00 1.31 H new ATOM 0 HE2 LYS A 53 14.232 7.555 -1.083 1.00 1.33 H new ATOM 0 HE3 LYS A 53 14.385 9.114 -0.297 1.00 1.33 H new ATOM 0 HZ1 LYS A 53 14.307 7.511 1.397 1.00 1.68 H new ATOM 0 HZ2 LYS A 53 12.776 8.244 1.411 1.00 1.68 H new ATOM 0 HZ3 LYS A 53 12.976 6.709 0.715 1.00 1.68 H new ATOM 664 N SER A 54 7.625 9.447 -2.826 1.00 0.34 N ATOM 665 CA SER A 54 6.750 10.379 -3.523 1.00 0.36 C ATOM 666 C SER A 54 5.516 10.686 -2.675 1.00 0.33 C ATOM 667 O SER A 54 4.860 11.710 -2.862 1.00 0.43 O ATOM 668 CB SER A 54 6.321 9.819 -4.887 1.00 0.40 C ATOM 669 OG SER A 54 5.499 10.739 -5.587 1.00 0.94 O ATOM 0 H SER A 54 7.500 8.468 -3.085 1.00 0.34 H new ATOM 0 HA SER A 54 7.307 11.301 -3.690 1.00 0.36 H new ATOM 0 HB2 SER A 54 7.205 9.591 -5.483 1.00 0.40 H new ATOM 0 HB3 SER A 54 5.782 8.882 -4.745 1.00 0.40 H new ATOM 0 HG SER A 54 5.243 10.356 -6.452 1.00 0.94 H new ATOM 675 N GLY A 55 5.214 9.794 -1.739 1.00 0.26 N ATOM 676 CA GLY A 55 4.044 9.960 -0.901 1.00 0.24 C ATOM 677 C GLY A 55 2.831 9.272 -1.493 1.00 0.20 C ATOM 678 O GLY A 55 1.699 9.648 -1.216 1.00 0.27 O ATOM 0 H GLY A 55 5.762 8.956 -1.546 1.00 0.26 H new ATOM 0 HA2 GLY A 55 4.245 9.554 0.090 1.00 0.24 H new ATOM 0 HA3 GLY A 55 3.835 11.022 -0.774 1.00 0.24 H new ATOM 682 N LEU A 56 3.073 8.249 -2.299 1.00 0.22 N ATOM 683 CA LEU A 56 2.006 7.571 -3.023 1.00 0.19 C ATOM 684 C LEU A 56 1.401 6.460 -2.185 1.00 0.15 C ATOM 685 O LEU A 56 2.112 5.727 -1.504 1.00 0.14 O ATOM 686 CB LEU A 56 2.539 6.980 -4.326 1.00 0.22 C ATOM 687 CG LEU A 56 3.283 7.963 -5.222 1.00 0.33 C ATOM 688 CD1 LEU A 56 3.912 7.244 -6.402 1.00 0.40 C ATOM 689 CD2 LEU A 56 2.354 9.059 -5.707 1.00 0.37 C ATOM 0 H LEU A 56 4.004 7.868 -2.469 1.00 0.22 H new ATOM 0 HA LEU A 56 1.235 8.309 -3.244 1.00 0.19 H new ATOM 0 HB2 LEU A 56 3.207 6.153 -4.086 1.00 0.22 H new ATOM 0 HB3 LEU A 56 1.703 6.562 -4.887 1.00 0.22 H new ATOM 0 HG LEU A 56 4.077 8.421 -4.633 1.00 0.33 H new ATOM 0 HD11 LEU A 56 4.438 7.964 -7.029 1.00 0.40 H new ATOM 0 HD12 LEU A 56 4.617 6.496 -6.039 1.00 0.40 H new ATOM 0 HD13 LEU A 56 3.133 6.755 -6.987 1.00 0.40 H new ATOM 0 HD21 LEU A 56 2.907 9.749 -6.345 1.00 0.37 H new ATOM 0 HD22 LEU A 56 1.535 8.617 -6.275 1.00 0.37 H new ATOM 0 HD23 LEU A 56 1.951 9.600 -4.851 1.00 0.37 H new ATOM 701 N CYS A 57 0.092 6.331 -2.248 1.00 0.14 N ATOM 702 CA CYS A 57 -0.592 5.260 -1.556 1.00 0.13 C ATOM 703 C CYS A 57 -1.126 4.247 -2.553 1.00 0.11 C ATOM 704 O CYS A 57 -1.921 4.586 -3.431 1.00 0.13 O ATOM 705 CB CYS A 57 -1.736 5.806 -0.706 1.00 0.17 C ATOM 706 SG CYS A 57 -2.792 4.508 0.015 1.00 0.20 S ATOM 0 H CYS A 57 -0.520 6.956 -2.773 1.00 0.14 H new ATOM 0 HA CYS A 57 0.124 4.769 -0.897 1.00 0.13 H new ATOM 0 HB2 CYS A 57 -1.322 6.414 0.098 1.00 0.17 H new ATOM 0 HB3 CYS A 57 -2.351 6.464 -1.319 1.00 0.17 H new ATOM 711 N TYR A 58 -0.669 3.011 -2.428 1.00 0.11 N ATOM 712 CA TYR A 58 -1.137 1.931 -3.277 1.00 0.13 C ATOM 713 C TYR A 58 -1.961 0.936 -2.471 1.00 0.13 C ATOM 714 O TYR A 58 -1.417 -0.045 -1.956 1.00 0.12 O ATOM 715 CB TYR A 58 0.028 1.169 -3.900 1.00 0.15 C ATOM 716 CG TYR A 58 0.912 1.971 -4.817 1.00 0.17 C ATOM 717 CD1 TYR A 58 1.980 2.684 -4.310 1.00 0.18 C ATOM 718 CD2 TYR A 58 0.663 2.040 -6.180 1.00 0.21 C ATOM 719 CE1 TYR A 58 2.783 3.441 -5.128 1.00 0.21 C ATOM 720 CE2 TYR A 58 1.459 2.800 -7.010 1.00 0.24 C ATOM 721 CZ TYR A 58 2.560 3.396 -6.532 1.00 0.24 C ATOM 722 OH TYR A 58 3.315 4.266 -7.301 1.00 0.28 O ATOM 0 H TYR A 58 0.031 2.731 -1.741 1.00 0.11 H new ATOM 0 HA TYR A 58 -1.743 2.385 -4.061 1.00 0.13 H new ATOM 0 HB2 TYR A 58 0.642 0.760 -3.098 1.00 0.15 H new ATOM 0 HB3 TYR A 58 -0.372 0.322 -4.458 1.00 0.15 H new ATOM 0 HD1 TYR A 58 2.188 2.646 -3.251 1.00 0.18 H new ATOM 0 HD2 TYR A 58 -0.167 1.490 -6.597 1.00 0.21 H new ATOM 0 HE1 TYR A 58 3.567 4.057 -4.714 1.00 0.21 H new ATOM 0 HE2 TYR A 58 1.194 2.916 -8.051 1.00 0.24 H new ATOM 0 HH TYR A 58 3.084 4.152 -8.246 1.00 0.28 H new ATOM 732 N PRO A 59 -3.267 1.168 -2.335 1.00 0.15 N ATOM 733 CA PRO A 59 -4.168 0.201 -1.718 1.00 0.16 C ATOM 734 C PRO A 59 -4.276 -1.028 -2.606 1.00 0.15 C ATOM 735 O PRO A 59 -4.669 -0.917 -3.767 1.00 0.16 O ATOM 736 CB PRO A 59 -5.510 0.949 -1.640 1.00 0.20 C ATOM 737 CG PRO A 59 -5.163 2.385 -1.853 1.00 0.32 C ATOM 738 CD PRO A 59 -3.977 2.372 -2.768 1.00 0.20 C ATOM 0 HA PRO A 59 -3.835 -0.147 -0.740 1.00 0.16 H new ATOM 0 HB2 PRO A 59 -6.205 0.594 -2.401 1.00 0.20 H new ATOM 0 HB3 PRO A 59 -5.991 0.798 -0.673 1.00 0.20 H new ATOM 0 HG2 PRO A 59 -5.996 2.930 -2.297 1.00 0.32 H new ATOM 0 HG3 PRO A 59 -4.927 2.877 -0.909 1.00 0.32 H new ATOM 0 HD2 PRO A 59 -4.272 2.316 -3.816 1.00 0.20 H new ATOM 0 HD3 PRO A 59 -3.366 3.268 -2.656 1.00 0.20 H new ATOM 746 N LYS A 60 -3.902 -2.187 -2.089 1.00 0.14 N ATOM 747 CA LYS A 60 -3.823 -3.385 -2.916 1.00 0.14 C ATOM 748 C LYS A 60 -4.717 -4.503 -2.389 1.00 0.13 C ATOM 749 O LYS A 60 -4.834 -4.720 -1.180 1.00 0.14 O ATOM 750 CB LYS A 60 -2.365 -3.833 -3.034 1.00 0.16 C ATOM 751 CG LYS A 60 -1.528 -2.847 -3.837 1.00 0.20 C ATOM 752 CD LYS A 60 -0.039 -3.144 -3.778 1.00 0.29 C ATOM 753 CE LYS A 60 0.731 -2.155 -4.642 1.00 0.39 C ATOM 754 NZ LYS A 60 2.196 -2.382 -4.614 1.00 0.82 N ATOM 0 H LYS A 60 -3.650 -2.326 -1.110 1.00 0.14 H new ATOM 0 HA LYS A 60 -4.196 -3.142 -3.911 1.00 0.14 H new ATOM 0 HB2 LYS A 60 -1.938 -3.943 -2.037 1.00 0.16 H new ATOM 0 HB3 LYS A 60 -2.324 -4.813 -3.508 1.00 0.16 H new ATOM 0 HG2 LYS A 60 -1.855 -2.864 -4.877 1.00 0.20 H new ATOM 0 HG3 LYS A 60 -1.707 -1.839 -3.463 1.00 0.20 H new ATOM 0 HD2 LYS A 60 0.310 -3.085 -2.747 1.00 0.29 H new ATOM 0 HD3 LYS A 60 0.150 -4.161 -4.121 1.00 0.29 H new ATOM 0 HE2 LYS A 60 0.377 -2.227 -5.670 1.00 0.39 H new ATOM 0 HE3 LYS A 60 0.519 -1.141 -4.302 1.00 0.39 H new ATOM 0 HZ1 LYS A 60 2.687 -1.524 -4.937 1.00 0.82 H new ATOM 0 HZ2 LYS A 60 2.494 -2.607 -3.643 1.00 0.82 H new ATOM 0 HZ3 LYS A 60 2.436 -3.175 -5.242 1.00 0.82 H new ATOM 768 N ARG A 61 -5.362 -5.200 -3.313 1.00 0.15 N ATOM 769 CA ARG A 61 -6.315 -6.238 -2.958 1.00 0.17 C ATOM 770 C ARG A 61 -5.835 -7.598 -3.444 1.00 0.17 C ATOM 771 O ARG A 61 -4.892 -7.689 -4.235 1.00 0.22 O ATOM 772 CB ARG A 61 -7.703 -5.936 -3.550 1.00 0.28 C ATOM 773 CG ARG A 61 -7.853 -6.243 -5.038 1.00 0.39 C ATOM 774 CD ARG A 61 -7.353 -5.103 -5.907 1.00 0.70 C ATOM 775 NE ARG A 61 -7.604 -5.339 -7.328 1.00 0.64 N ATOM 776 CZ ARG A 61 -8.624 -4.806 -8.006 1.00 1.22 C ATOM 777 NH1 ARG A 61 -9.537 -4.072 -7.382 1.00 2.00 N ATOM 778 NH2 ARG A 61 -8.742 -5.026 -9.307 1.00 1.20 N ATOM 0 H ARG A 61 -5.241 -5.064 -4.317 1.00 0.15 H new ATOM 0 HA ARG A 61 -6.394 -6.257 -1.871 1.00 0.17 H new ATOM 0 HB2 ARG A 61 -8.448 -6.510 -2.999 1.00 0.28 H new ATOM 0 HB3 ARG A 61 -7.929 -4.882 -3.388 1.00 0.28 H new ATOM 0 HG2 ARG A 61 -7.300 -7.151 -5.278 1.00 0.39 H new ATOM 0 HG3 ARG A 61 -8.901 -6.438 -5.264 1.00 0.39 H new ATOM 0 HD2 ARG A 61 -7.840 -4.176 -5.603 1.00 0.70 H new ATOM 0 HD3 ARG A 61 -6.283 -4.968 -5.746 1.00 0.70 H new ATOM 0 HE ARG A 61 -6.960 -5.948 -7.833 1.00 0.64 H new ATOM 0 HH11 ARG A 61 -9.463 -3.911 -6.377 1.00 2.00 H new ATOM 0 HH12 ARG A 61 -10.313 -3.668 -7.907 1.00 2.00 H new ATOM 0 HH21 ARG A 61 -8.054 -5.603 -9.791 1.00 1.20 H new ATOM 0 HH22 ARG A 61 -9.521 -4.619 -9.824 1.00 1.20 H new ATOM 792 N GLY A 62 -6.489 -8.644 -2.966 1.00 0.22 N ATOM 793 CA GLY A 62 -6.191 -9.981 -3.427 1.00 0.30 C ATOM 794 C GLY A 62 -4.934 -10.553 -2.809 1.00 0.29 C ATOM 795 O GLY A 62 -4.610 -10.265 -1.650 1.00 0.37 O ATOM 0 H GLY A 62 -7.225 -8.589 -2.262 1.00 0.22 H new ATOM 0 HA2 GLY A 62 -7.032 -10.635 -3.197 1.00 0.30 H new ATOM 0 HA3 GLY A 62 -6.083 -9.970 -4.512 1.00 0.30 H new ATOM 799 N LYS A 63 -4.224 -11.357 -3.588 1.00 0.39 N ATOM 800 CA LYS A 63 -3.012 -12.006 -3.116 1.00 0.48 C ATOM 801 C LYS A 63 -1.832 -11.043 -3.207 1.00 0.40 C ATOM 802 O LYS A 63 -1.778 -10.184 -4.092 1.00 0.49 O ATOM 803 CB LYS A 63 -2.728 -13.270 -3.927 1.00 0.71 C ATOM 804 CG LYS A 63 -2.032 -12.983 -5.234 1.00 1.73 C ATOM 805 CD LYS A 63 -1.762 -14.250 -6.031 1.00 2.07 C ATOM 806 CE LYS A 63 -0.831 -15.195 -5.289 1.00 2.93 C ATOM 807 NZ LYS A 63 -0.626 -16.463 -6.033 1.00 3.72 N ATOM 0 H LYS A 63 -4.469 -11.575 -4.554 1.00 0.39 H new ATOM 0 HA LYS A 63 -3.155 -12.291 -2.074 1.00 0.48 H new ATOM 0 HB2 LYS A 63 -2.112 -13.946 -3.334 1.00 0.71 H new ATOM 0 HB3 LYS A 63 -3.667 -13.787 -4.127 1.00 0.71 H new ATOM 0 HG2 LYS A 63 -2.644 -12.305 -5.829 1.00 1.73 H new ATOM 0 HG3 LYS A 63 -1.090 -12.472 -5.037 1.00 1.73 H new ATOM 0 HD2 LYS A 63 -2.704 -14.757 -6.239 1.00 2.07 H new ATOM 0 HD3 LYS A 63 -1.322 -13.988 -6.993 1.00 2.07 H new ATOM 0 HE2 LYS A 63 0.131 -14.707 -5.130 1.00 2.93 H new ATOM 0 HE3 LYS A 63 -1.244 -15.414 -4.304 1.00 2.93 H new ATOM 0 HZ1 LYS A 63 0.014 -17.081 -5.495 1.00 3.72 H new ATOM 0 HZ2 LYS A 63 -1.540 -16.941 -6.163 1.00 3.72 H new ATOM 0 HZ3 LYS A 63 -0.208 -16.256 -6.963 1.00 3.72 H new ATOM 821 N PRO A 64 -0.887 -11.157 -2.273 1.00 0.41 N ATOM 822 CA PRO A 64 0.282 -10.303 -2.216 1.00 0.38 C ATOM 823 C PRO A 64 1.509 -10.911 -2.891 1.00 0.35 C ATOM 824 O PRO A 64 1.628 -12.125 -3.057 1.00 0.44 O ATOM 825 CB PRO A 64 0.503 -10.209 -0.719 1.00 0.53 C ATOM 826 CG PRO A 64 0.213 -11.591 -0.256 1.00 0.62 C ATOM 827 CD PRO A 64 -0.893 -12.110 -1.153 1.00 0.59 C ATOM 0 HA PRO A 64 0.136 -9.355 -2.734 1.00 0.38 H new ATOM 0 HB2 PRO A 64 1.523 -9.908 -0.479 1.00 0.53 H new ATOM 0 HB3 PRO A 64 -0.162 -9.480 -0.257 1.00 0.53 H new ATOM 0 HG2 PRO A 64 1.100 -12.220 -0.327 1.00 0.62 H new ATOM 0 HG3 PRO A 64 -0.098 -11.595 0.789 1.00 0.62 H new ATOM 0 HD2 PRO A 64 -0.696 -13.128 -1.489 1.00 0.59 H new ATOM 0 HD3 PRO A 64 -1.855 -12.124 -0.640 1.00 0.59 H new ATOM 835 N GLN A 65 2.417 -10.033 -3.247 1.00 0.36 N ATOM 836 CA GLN A 65 3.690 -10.387 -3.856 1.00 0.32 C ATOM 837 C GLN A 65 4.703 -9.341 -3.427 1.00 0.31 C ATOM 838 O GLN A 65 4.482 -8.160 -3.664 1.00 0.41 O ATOM 839 CB GLN A 65 3.586 -10.396 -5.386 1.00 0.40 C ATOM 840 CG GLN A 65 2.680 -11.477 -5.954 1.00 0.38 C ATOM 841 CD GLN A 65 2.726 -11.527 -7.468 1.00 1.23 C ATOM 842 OE1 GLN A 65 3.553 -12.225 -8.054 1.00 1.79 O ATOM 843 NE2 GLN A 65 1.836 -10.791 -8.114 1.00 1.95 N ATOM 0 H GLN A 65 2.294 -9.028 -3.121 1.00 0.36 H new ATOM 0 HA GLN A 65 3.987 -11.386 -3.536 1.00 0.32 H new ATOM 0 HB2 GLN A 65 3.221 -9.424 -5.718 1.00 0.40 H new ATOM 0 HB3 GLN A 65 4.585 -10.521 -5.804 1.00 0.40 H new ATOM 0 HG2 GLN A 65 2.977 -12.445 -5.551 1.00 0.38 H new ATOM 0 HG3 GLN A 65 1.655 -11.297 -5.629 1.00 0.38 H new ATOM 0 HE21 GLN A 65 1.167 -10.225 -7.592 1.00 1.95 H new ATOM 0 HE22 GLN A 65 1.819 -10.789 -9.134 1.00 1.95 H new ATOM 852 N PHE A 66 5.781 -9.746 -2.781 1.00 0.32 N ATOM 853 CA PHE A 66 6.705 -8.776 -2.200 1.00 0.33 C ATOM 854 C PHE A 66 8.047 -8.767 -2.919 1.00 0.34 C ATOM 855 O PHE A 66 8.494 -9.792 -3.438 1.00 0.40 O ATOM 856 CB PHE A 66 6.908 -9.063 -0.712 1.00 0.40 C ATOM 857 CG PHE A 66 5.622 -9.148 0.061 1.00 0.42 C ATOM 858 CD1 PHE A 66 4.840 -8.022 0.255 1.00 0.43 C ATOM 859 CD2 PHE A 66 5.203 -10.352 0.603 1.00 0.51 C ATOM 860 CE1 PHE A 66 3.663 -8.096 0.973 1.00 0.46 C ATOM 861 CE2 PHE A 66 4.027 -10.432 1.321 1.00 0.55 C ATOM 862 CZ PHE A 66 3.236 -9.305 1.474 1.00 0.50 C ATOM 0 H PHE A 66 6.040 -10.723 -2.644 1.00 0.32 H new ATOM 0 HA PHE A 66 6.260 -7.788 -2.320 1.00 0.33 H new ATOM 0 HB2 PHE A 66 7.452 -10.001 -0.602 1.00 0.40 H new ATOM 0 HB3 PHE A 66 7.531 -8.280 -0.280 1.00 0.40 H new ATOM 0 HD1 PHE A 66 5.154 -7.076 -0.160 1.00 0.43 H new ATOM 0 HD2 PHE A 66 5.804 -11.238 0.462 1.00 0.51 H new ATOM 0 HE1 PHE A 66 3.077 -7.205 1.142 1.00 0.46 H new ATOM 0 HE2 PHE A 66 3.724 -11.370 1.762 1.00 0.55 H new ATOM 0 HZ PHE A 66 2.287 -9.375 1.985 1.00 0.50 H new ATOM 872 N TYR A 67 8.673 -7.596 -2.951 1.00 0.32 N ATOM 873 CA TYR A 67 9.996 -7.429 -3.541 1.00 0.34 C ATOM 874 C TYR A 67 10.705 -6.230 -2.913 1.00 0.32 C ATOM 875 O TYR A 67 10.054 -5.302 -2.438 1.00 0.42 O ATOM 876 CB TYR A 67 9.896 -7.265 -5.061 1.00 0.43 C ATOM 877 CG TYR A 67 8.946 -6.182 -5.522 1.00 0.47 C ATOM 878 CD1 TYR A 67 9.345 -4.853 -5.576 1.00 0.52 C ATOM 879 CD2 TYR A 67 7.654 -6.494 -5.918 1.00 0.53 C ATOM 880 CE1 TYR A 67 8.480 -3.868 -6.008 1.00 0.63 C ATOM 881 CE2 TYR A 67 6.785 -5.519 -6.352 1.00 0.61 C ATOM 882 CZ TYR A 67 7.201 -4.205 -6.400 1.00 0.65 C ATOM 883 OH TYR A 67 6.331 -3.227 -6.827 1.00 0.79 O ATOM 0 H TYR A 67 8.278 -6.737 -2.569 1.00 0.32 H new ATOM 0 HA TYR A 67 10.582 -8.325 -3.338 1.00 0.34 H new ATOM 0 HB2 TYR A 67 10.889 -7.049 -5.455 1.00 0.43 H new ATOM 0 HB3 TYR A 67 9.580 -8.214 -5.495 1.00 0.43 H new ATOM 0 HD1 TYR A 67 10.347 -4.586 -5.275 1.00 0.52 H new ATOM 0 HD2 TYR A 67 7.324 -7.522 -5.885 1.00 0.53 H new ATOM 0 HE1 TYR A 67 8.803 -2.838 -6.039 1.00 0.63 H new ATOM 0 HE2 TYR A 67 5.782 -5.782 -6.654 1.00 0.61 H new ATOM 0 HH TYR A 67 5.473 -3.635 -7.067 1.00 0.79 H new ATOM 893 N LYS A 68 12.032 -6.260 -2.900 1.00 0.39 N ATOM 894 CA LYS A 68 12.818 -5.191 -2.284 1.00 0.39 C ATOM 895 C LYS A 68 12.869 -3.952 -3.170 1.00 0.41 C ATOM 896 O LYS A 68 13.609 -3.908 -4.154 1.00 0.58 O ATOM 897 CB LYS A 68 14.246 -5.664 -1.991 1.00 0.50 C ATOM 898 CG LYS A 68 14.358 -6.643 -0.831 1.00 1.29 C ATOM 899 CD LYS A 68 14.853 -5.971 0.446 1.00 1.36 C ATOM 900 CE LYS A 68 13.851 -4.970 1.001 1.00 0.92 C ATOM 901 NZ LYS A 68 14.329 -4.346 2.265 1.00 1.27 N ATOM 0 H LYS A 68 12.589 -7.011 -3.308 1.00 0.39 H new ATOM 0 HA LYS A 68 12.324 -4.930 -1.348 1.00 0.39 H new ATOM 0 HB2 LYS A 68 14.651 -6.133 -2.887 1.00 0.50 H new ATOM 0 HB3 LYS A 68 14.867 -4.794 -1.778 1.00 0.50 H new ATOM 0 HG2 LYS A 68 13.385 -7.097 -0.646 1.00 1.29 H new ATOM 0 HG3 LYS A 68 15.040 -7.449 -1.103 1.00 1.29 H new ATOM 0 HD2 LYS A 68 15.056 -6.733 1.199 1.00 1.36 H new ATOM 0 HD3 LYS A 68 15.796 -5.463 0.244 1.00 1.36 H new ATOM 0 HE2 LYS A 68 13.667 -4.192 0.260 1.00 0.92 H new ATOM 0 HE3 LYS A 68 12.900 -5.471 1.181 1.00 0.92 H new ATOM 0 HZ1 LYS A 68 13.546 -3.831 2.716 1.00 1.27 H new ATOM 0 HZ2 LYS A 68 14.673 -5.086 2.909 1.00 1.27 H new ATOM 0 HZ3 LYS A 68 15.103 -3.684 2.054 1.00 1.27 H new ATOM 915 N TYR A 69 12.083 -2.951 -2.813 1.00 0.32 N ATOM 916 CA TYR A 69 12.102 -1.678 -3.509 1.00 0.42 C ATOM 917 C TYR A 69 12.165 -0.539 -2.503 1.00 0.40 C ATOM 918 O TYR A 69 11.213 -0.304 -1.756 1.00 0.60 O ATOM 919 CB TYR A 69 10.873 -1.521 -4.407 1.00 0.53 C ATOM 920 CG TYR A 69 10.856 -0.219 -5.178 1.00 0.71 C ATOM 921 CD1 TYR A 69 11.591 -0.073 -6.349 1.00 1.06 C ATOM 922 CD2 TYR A 69 10.097 0.858 -4.742 1.00 0.61 C ATOM 923 CE1 TYR A 69 11.567 1.108 -7.063 1.00 1.24 C ATOM 924 CE2 TYR A 69 10.071 2.045 -5.450 1.00 0.78 C ATOM 925 CZ TYR A 69 10.847 2.182 -6.581 1.00 1.08 C ATOM 926 OH TYR A 69 10.776 3.342 -7.323 1.00 1.27 O ATOM 0 H TYR A 69 11.420 -2.997 -2.040 1.00 0.32 H new ATOM 0 HA TYR A 69 12.988 -1.648 -4.143 1.00 0.42 H new ATOM 0 HB2 TYR A 69 10.838 -2.352 -5.111 1.00 0.53 H new ATOM 0 HB3 TYR A 69 9.974 -1.584 -3.794 1.00 0.53 H new ATOM 0 HD1 TYR A 69 12.191 -0.897 -6.706 1.00 1.06 H new ATOM 0 HD2 TYR A 69 9.517 0.767 -3.835 1.00 0.61 H new ATOM 0 HE1 TYR A 69 12.109 1.191 -7.994 1.00 1.24 H new ATOM 0 HE2 TYR A 69 9.446 2.861 -5.119 1.00 0.78 H new ATOM 0 HH TYR A 69 10.231 4.002 -6.846 1.00 1.27 H new ATOM 936 N LEU A 70 13.292 0.153 -2.473 1.00 0.53 N ATOM 937 CA LEU A 70 13.461 1.284 -1.580 1.00 0.52 C ATOM 938 C LEU A 70 12.496 2.390 -1.980 1.00 0.48 C ATOM 939 O LEU A 70 12.417 2.764 -3.150 1.00 0.75 O ATOM 940 CB LEU A 70 14.900 1.797 -1.626 1.00 0.71 C ATOM 941 CG LEU A 70 15.552 2.061 -0.265 1.00 0.88 C ATOM 942 CD1 LEU A 70 16.925 2.673 -0.450 1.00 1.34 C ATOM 943 CD2 LEU A 70 14.684 2.966 0.595 1.00 1.65 C ATOM 0 H LEU A 70 14.103 -0.050 -3.058 1.00 0.53 H new ATOM 0 HA LEU A 70 13.247 0.966 -0.560 1.00 0.52 H new ATOM 0 HB2 LEU A 70 15.508 1.071 -2.166 1.00 0.71 H new ATOM 0 HB3 LEU A 70 14.919 2.721 -2.203 1.00 0.71 H new ATOM 0 HG LEU A 70 15.656 1.105 0.249 1.00 0.88 H new ATOM 0 HD11 LEU A 70 17.377 2.855 0.525 1.00 1.34 H new ATOM 0 HD12 LEU A 70 17.555 1.989 -1.019 1.00 1.34 H new ATOM 0 HD13 LEU A 70 16.833 3.616 -0.989 1.00 1.34 H new ATOM 0 HD21 LEU A 70 15.173 3.135 1.554 1.00 1.65 H new ATOM 0 HD22 LEU A 70 14.539 3.920 0.088 1.00 1.65 H new ATOM 0 HD23 LEU A 70 13.716 2.492 0.760 1.00 1.65 H new ATOM 955 N GLY A 71 11.774 2.911 -1.008 1.00 0.40 N ATOM 956 CA GLY A 71 10.727 3.865 -1.299 1.00 0.49 C ATOM 957 C GLY A 71 9.363 3.353 -0.884 1.00 0.40 C ATOM 958 O GLY A 71 8.569 4.094 -0.307 1.00 0.43 O ATOM 0 H GLY A 71 11.892 2.691 -0.019 1.00 0.40 H new ATOM 0 HA2 GLY A 71 10.936 4.802 -0.782 1.00 0.49 H new ATOM 0 HA3 GLY A 71 10.723 4.084 -2.367 1.00 0.49 H new ATOM 962 N ASP A 72 9.102 2.078 -1.149 1.00 0.38 N ATOM 963 CA ASP A 72 7.801 1.489 -0.856 1.00 0.36 C ATOM 964 C ASP A 72 7.768 0.925 0.556 1.00 0.42 C ATOM 965 O ASP A 72 8.647 0.164 0.958 1.00 0.70 O ATOM 966 CB ASP A 72 7.457 0.376 -1.857 1.00 0.47 C ATOM 967 CG ASP A 72 7.074 0.886 -3.237 1.00 1.16 C ATOM 968 OD1 ASP A 72 7.055 2.115 -3.451 1.00 1.80 O ATOM 969 OD2 ASP A 72 6.780 0.049 -4.120 1.00 1.61 O ATOM 0 H ASP A 72 9.773 1.433 -1.566 1.00 0.38 H new ATOM 0 HA ASP A 72 7.059 2.283 -0.943 1.00 0.36 H new ATOM 0 HB2 ASP A 72 8.314 -0.291 -1.952 1.00 0.47 H new ATOM 0 HB3 ASP A 72 6.634 -0.217 -1.458 1.00 0.47 H new ATOM 974 N MET A 73 6.765 1.323 1.316 1.00 0.26 N ATOM 975 CA MET A 73 6.531 0.757 2.633 1.00 0.28 C ATOM 976 C MET A 73 5.204 0.017 2.614 1.00 0.22 C ATOM 977 O MET A 73 4.154 0.625 2.439 1.00 0.20 O ATOM 978 CB MET A 73 6.498 1.866 3.697 1.00 0.32 C ATOM 979 CG MET A 73 7.814 2.619 3.845 1.00 0.46 C ATOM 980 SD MET A 73 7.658 4.120 4.842 1.00 1.34 S ATOM 981 CE MET A 73 6.985 3.479 6.375 1.00 2.00 C ATOM 0 H MET A 73 6.094 2.041 1.042 1.00 0.26 H new ATOM 0 HA MET A 73 7.339 0.070 2.883 1.00 0.28 H new ATOM 0 HB2 MET A 73 5.711 2.576 3.443 1.00 0.32 H new ATOM 0 HB3 MET A 73 6.232 1.426 4.658 1.00 0.32 H new ATOM 0 HG2 MET A 73 8.554 1.961 4.301 1.00 0.46 H new ATOM 0 HG3 MET A 73 8.189 2.883 2.856 1.00 0.46 H new ATOM 0 HE1 MET A 73 6.180 4.129 6.719 1.00 2.00 H new ATOM 0 HE2 MET A 73 6.595 2.475 6.209 1.00 2.00 H new ATOM 0 HE3 MET A 73 7.770 3.443 7.130 1.00 2.00 H new ATOM 991 N THR A 74 5.245 -1.288 2.807 1.00 0.23 N ATOM 992 CA THR A 74 4.035 -2.086 2.729 1.00 0.21 C ATOM 993 C THR A 74 3.542 -2.479 4.115 1.00 0.26 C ATOM 994 O THR A 74 4.226 -3.179 4.865 1.00 0.34 O ATOM 995 CB THR A 74 4.238 -3.340 1.847 1.00 0.23 C ATOM 996 OG1 THR A 74 4.436 -2.947 0.479 1.00 0.23 O ATOM 997 CG2 THR A 74 3.043 -4.283 1.930 1.00 0.29 C ATOM 0 H THR A 74 6.093 -1.814 3.017 1.00 0.23 H new ATOM 0 HA THR A 74 3.271 -1.467 2.260 1.00 0.21 H new ATOM 0 HB THR A 74 5.117 -3.867 2.217 1.00 0.23 H new ATOM 0 HG1 THR A 74 5.396 -2.889 0.291 1.00 0.23 H new ATOM 0 HG21 THR A 74 3.221 -5.153 1.298 1.00 0.29 H new ATOM 0 HG22 THR A 74 2.906 -4.607 2.962 1.00 0.29 H new ATOM 0 HG23 THR A 74 2.146 -3.765 1.590 1.00 0.29 H new ATOM 1005 N GLY A 75 2.362 -1.990 4.452 1.00 0.27 N ATOM 1006 CA GLY A 75 1.719 -2.360 5.690 1.00 0.32 C ATOM 1007 C GLY A 75 0.472 -3.169 5.414 1.00 0.24 C ATOM 1008 O GLY A 75 0.074 -3.312 4.256 1.00 0.25 O ATOM 0 H GLY A 75 1.831 -1.333 3.880 1.00 0.27 H new ATOM 0 HA2 GLY A 75 2.407 -2.939 6.306 1.00 0.32 H new ATOM 0 HA3 GLY A 75 1.462 -1.464 6.256 1.00 0.32 H new ATOM 1012 N SER A 76 -0.149 -3.699 6.449 1.00 0.38 N ATOM 1013 CA SER A 76 -1.335 -4.514 6.265 1.00 0.50 C ATOM 1014 C SER A 76 -2.591 -3.693 6.529 1.00 0.61 C ATOM 1015 O SER A 76 -2.523 -2.674 7.211 1.00 1.52 O ATOM 1016 CB SER A 76 -1.281 -5.732 7.183 1.00 0.73 C ATOM 1017 OG SER A 76 -0.122 -6.508 6.921 1.00 1.40 O ATOM 0 H SER A 76 0.144 -3.582 7.419 1.00 0.38 H new ATOM 0 HA SER A 76 -1.368 -4.861 5.232 1.00 0.50 H new ATOM 0 HB2 SER A 76 -1.280 -5.409 8.224 1.00 0.73 H new ATOM 0 HB3 SER A 76 -2.173 -6.342 7.039 1.00 0.73 H new ATOM 0 HG SER A 76 -0.105 -7.283 7.521 1.00 1.40 H new ATOM 1023 N ARG A 77 -3.725 -4.126 5.993 1.00 0.62 N ATOM 1024 CA ARG A 77 -4.963 -3.346 6.067 1.00 0.54 C ATOM 1025 C ARG A 77 -5.280 -2.916 7.503 1.00 0.64 C ATOM 1026 O ARG A 77 -5.677 -1.774 7.750 1.00 1.08 O ATOM 1027 CB ARG A 77 -6.126 -4.158 5.495 1.00 0.59 C ATOM 1028 CG ARG A 77 -7.429 -3.381 5.401 1.00 1.14 C ATOM 1029 CD ARG A 77 -8.546 -4.255 4.857 1.00 1.04 C ATOM 1030 NE ARG A 77 -9.791 -3.512 4.668 1.00 1.78 N ATOM 1031 CZ ARG A 77 -10.844 -3.596 5.483 1.00 2.04 C ATOM 1032 NH1 ARG A 77 -10.783 -4.322 6.593 1.00 1.93 N ATOM 1033 NH2 ARG A 77 -11.957 -2.940 5.191 1.00 2.94 N ATOM 0 H ARG A 77 -3.817 -5.014 5.500 1.00 0.62 H new ATOM 0 HA ARG A 77 -4.822 -2.442 5.475 1.00 0.54 H new ATOM 0 HB2 ARG A 77 -5.854 -4.515 4.502 1.00 0.59 H new ATOM 0 HB3 ARG A 77 -6.283 -5.039 6.118 1.00 0.59 H new ATOM 0 HG2 ARG A 77 -7.704 -3.005 6.386 1.00 1.14 H new ATOM 0 HG3 ARG A 77 -7.294 -2.514 4.755 1.00 1.14 H new ATOM 0 HD2 ARG A 77 -8.236 -4.687 3.906 1.00 1.04 H new ATOM 0 HD3 ARG A 77 -8.721 -5.085 5.542 1.00 1.04 H new ATOM 0 HE ARG A 77 -9.859 -2.890 3.862 1.00 1.78 H new ATOM 0 HH11 ARG A 77 -9.926 -4.822 6.829 1.00 1.93 H new ATOM 0 HH12 ARG A 77 -11.593 -4.380 7.210 1.00 1.93 H new ATOM 0 HH21 ARG A 77 -12.007 -2.373 4.345 1.00 2.94 H new ATOM 0 HH22 ARG A 77 -12.764 -3.002 5.812 1.00 2.94 H new ATOM 1047 N THR A 78 -5.080 -3.826 8.446 1.00 0.91 N ATOM 1048 CA THR A 78 -5.405 -3.559 9.837 1.00 1.05 C ATOM 1049 C THR A 78 -4.220 -2.949 10.594 1.00 1.42 C ATOM 1050 O THR A 78 -4.375 -2.491 11.726 1.00 2.15 O ATOM 1051 CB THR A 78 -5.878 -4.842 10.549 1.00 1.57 C ATOM 1052 OG1 THR A 78 -6.482 -4.527 11.813 1.00 2.50 O ATOM 1053 CG2 THR A 78 -4.712 -5.778 10.764 1.00 2.05 C ATOM 0 H THR A 78 -4.695 -4.754 8.272 1.00 0.91 H new ATOM 0 HA THR A 78 -6.217 -2.832 9.839 1.00 1.05 H new ATOM 0 HB THR A 78 -6.620 -5.329 9.917 1.00 1.57 H new ATOM 0 HG1 THR A 78 -6.024 -3.758 12.212 1.00 2.50 H new ATOM 0 HG21 THR A 78 -5.058 -6.681 11.268 1.00 2.05 H new ATOM 0 HG22 THR A 78 -4.277 -6.044 9.801 1.00 2.05 H new ATOM 0 HG23 THR A 78 -3.959 -5.286 11.379 1.00 2.05 H new ATOM 1061 N CYS A 79 -3.047 -2.925 9.961 1.00 1.67 N ATOM 1062 CA CYS A 79 -1.832 -2.444 10.614 1.00 2.22 C ATOM 1063 C CYS A 79 -0.660 -2.464 9.633 1.00 2.94 C ATOM 1064 O CYS A 79 -0.397 -1.423 8.990 1.00 3.37 O ATOM 1065 CB CYS A 79 -1.516 -3.309 11.845 1.00 2.48 C ATOM 1066 SG CYS A 79 -0.139 -2.701 12.878 1.00 2.56 S ATOM 0 H CYS A 79 -2.914 -3.233 8.998 1.00 1.67 H new ATOM 0 HA CYS A 79 -1.992 -1.417 10.941 1.00 2.22 H new ATOM 0 HB2 CYS A 79 -2.412 -3.377 12.463 1.00 2.48 H new ATOM 0 HB3 CYS A 79 -1.281 -4.320 11.510 1.00 2.48 H new TER 1071 CYS A 79