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 15 ASN : amide:sc= -0.0715 K(o=-0.071,f=-4.1!) USER MOD Set 1.2: A 68 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.201) USER MOD Set 2.1: A 49 THR OG1 : rot -64:sc= 0.128 USER MOD Set 2.2: A 74 THR OG1 : rot 73:sc= 1.99 USER MOD Set 3.1: A 18 SER OG : rot 32:sc= 0.934 USER MOD Set 3.2: A 46 SER OG : rot -165:sc= 1.75 USER MOD Set 3.3: A 47 HIS : no HE2:sc= -1.62 K(o=1.1,f=-4.3!) USER MOD Set 4.1: A 31 SER OG : rot 125:sc= 0.789 USER MOD Set 4.2: A 33 SER OG : rot 180:sc= 0.786 USER MOD Set 5.1: A 13 THR OG1 : rot 180:sc= -1.15 USER MOD Set 5.2: A 73 MET CE :methyl -152:sc= -6.6! (180deg=-9.49!) USER MOD Single : A 12 HIS : no HD1:sc= -0.142 K(o=-0.14,f=-3.3!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 1.05 K(o=1,f=-7.7!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.168 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 40 GLN : amide:sc= -0.0597 X(o=-0.06,f=-0.2) USER MOD Single : A 43 LYS NZ :NH3+ -164:sc= -0.0342 (180deg=-0.308) USER MOD Single : A 48 TYR OH : rot -144:sc= 0.964 USER MOD Single : A 50 TYR OH : rot 9:sc= 1.05 USER MOD Single : A 51 ASN : amide:sc= 0.43! C(o=0.43!,f=-5!) USER MOD Single : A 53 LYS NZ :NH3+ -170:sc= 1.16 (180deg=0.975) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 2.09 (180deg=2.09) USER MOD Single : A 63 LYS NZ :NH3+ 162:sc= -0.0918 (180deg=-0.49) USER MOD Single : A 65 GLN : amide:sc= -0.513 K(o=-0.51,f=-4.3!) USER MOD Single : A 67 TYR OH : rot 4:sc= 0.0119 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 -76:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 10 3.157 3.099 14.644 1.00 3.75 N ATOM 2 CA CYS A 10 3.657 1.746 14.310 1.00 3.34 C ATOM 3 C CYS A 10 4.762 1.838 13.262 1.00 3.18 C ATOM 4 O CYS A 10 5.915 1.513 13.539 1.00 3.37 O ATOM 5 CB CYS A 10 2.510 0.876 13.793 1.00 2.99 C ATOM 6 SG CYS A 10 0.991 0.983 14.797 1.00 3.12 S ATOM 0 HA CYS A 10 4.066 1.289 15.211 1.00 3.34 H new ATOM 0 HB2 CYS A 10 2.278 1.168 12.769 1.00 2.99 H new ATOM 0 HB3 CYS A 10 2.840 -0.162 13.761 1.00 2.99 H new ATOM 11 N VAL A 11 4.394 2.288 12.060 1.00 3.25 N ATOM 12 CA VAL A 11 5.347 2.553 10.983 1.00 3.21 C ATOM 13 C VAL A 11 6.149 1.305 10.599 1.00 2.44 C ATOM 14 O VAL A 11 7.293 1.126 11.023 1.00 2.96 O ATOM 15 CB VAL A 11 6.317 3.701 11.356 1.00 4.32 C ATOM 16 CG1 VAL A 11 7.205 4.071 10.176 1.00 4.88 C ATOM 17 CG2 VAL A 11 5.547 4.920 11.841 1.00 5.17 C ATOM 0 H VAL A 11 3.424 2.479 11.807 1.00 3.25 H new ATOM 0 HA VAL A 11 4.755 2.855 10.119 1.00 3.21 H new ATOM 0 HB VAL A 11 6.955 3.349 12.166 1.00 4.32 H new ATOM 0 HG11 VAL A 11 7.876 4.880 10.465 1.00 4.88 H new ATOM 0 HG12 VAL A 11 7.791 3.203 9.875 1.00 4.88 H new ATOM 0 HG13 VAL A 11 6.584 4.396 9.341 1.00 4.88 H new ATOM 0 HG21 VAL A 11 6.248 5.715 12.098 1.00 5.17 H new ATOM 0 HG22 VAL A 11 4.879 5.266 11.052 1.00 5.17 H new ATOM 0 HG23 VAL A 11 4.962 4.654 12.721 1.00 5.17 H new ATOM 27 N HIS A 12 5.543 0.438 9.805 1.00 1.79 N ATOM 28 CA HIS A 12 6.257 -0.704 9.242 1.00 1.77 C ATOM 29 C HIS A 12 6.809 -0.339 7.874 1.00 1.51 C ATOM 30 O HIS A 12 6.173 -0.590 6.851 1.00 2.26 O ATOM 31 CB HIS A 12 5.348 -1.928 9.138 1.00 2.38 C ATOM 32 CG HIS A 12 5.098 -2.599 10.449 1.00 3.01 C ATOM 33 ND1 HIS A 12 3.991 -2.347 11.226 1.00 4.01 N ATOM 34 CD2 HIS A 12 5.824 -3.520 11.122 1.00 3.32 C ATOM 35 CE1 HIS A 12 4.046 -3.082 12.319 1.00 4.72 C ATOM 36 NE2 HIS A 12 5.148 -3.804 12.281 1.00 4.33 N ATOM 0 H HIS A 12 4.562 0.500 9.534 1.00 1.79 H new ATOM 0 HA HIS A 12 7.081 -0.957 9.908 1.00 1.77 H new ATOM 0 HB2 HIS A 12 4.394 -1.626 8.706 1.00 2.38 H new ATOM 0 HB3 HIS A 12 5.796 -2.646 8.451 1.00 2.38 H new ATOM 0 HD2 HIS A 12 6.762 -3.952 10.806 1.00 3.32 H new ATOM 0 HE1 HIS A 12 3.312 -3.091 13.111 1.00 4.72 H new ATOM 0 HE2 HIS A 12 5.449 -4.466 12.997 1.00 4.33 H new ATOM 45 N THR A 13 7.987 0.269 7.869 1.00 1.05 N ATOM 46 CA THR A 13 8.582 0.780 6.646 1.00 0.80 C ATOM 47 C THR A 13 9.140 -0.347 5.785 1.00 0.84 C ATOM 48 O THR A 13 8.488 -0.795 4.839 1.00 1.82 O ATOM 49 CB THR A 13 9.707 1.793 6.962 1.00 1.18 C ATOM 50 OG1 THR A 13 9.253 2.732 7.944 1.00 1.45 O ATOM 51 CG2 THR A 13 10.143 2.539 5.708 1.00 1.93 C ATOM 0 H THR A 13 8.551 0.420 8.705 1.00 1.05 H new ATOM 0 HA THR A 13 7.792 1.284 6.090 1.00 0.80 H new ATOM 0 HB THR A 13 10.563 1.239 7.348 1.00 1.18 H new ATOM 0 HG1 THR A 13 9.970 3.370 8.142 1.00 1.45 H new ATOM 0 HG21 THR A 13 10.935 3.244 5.961 1.00 1.93 H new ATOM 0 HG22 THR A 13 10.513 1.826 4.971 1.00 1.93 H new ATOM 0 HG23 THR A 13 9.293 3.081 5.293 1.00 1.93 H new ATOM 59 N GLY A 14 10.327 -0.822 6.128 1.00 0.79 N ATOM 60 CA GLY A 14 10.979 -1.821 5.315 1.00 0.83 C ATOM 61 C GLY A 14 11.371 -1.284 3.953 1.00 0.86 C ATOM 62 O GLY A 14 11.210 -0.098 3.663 1.00 1.81 O ATOM 0 H GLY A 14 10.849 -0.532 6.955 1.00 0.79 H new ATOM 0 HA2 GLY A 14 11.868 -2.183 5.831 1.00 0.83 H new ATOM 0 HA3 GLY A 14 10.314 -2.675 5.189 1.00 0.83 H new ATOM 66 N ASN A 15 11.912 -2.155 3.130 1.00 0.68 N ATOM 67 CA ASN A 15 12.114 -1.855 1.725 1.00 0.59 C ATOM 68 C ASN A 15 11.303 -2.856 0.924 1.00 0.47 C ATOM 69 O ASN A 15 11.748 -3.400 -0.085 1.00 0.46 O ATOM 70 CB ASN A 15 13.602 -1.910 1.344 1.00 0.71 C ATOM 71 CG ASN A 15 14.207 -3.300 1.442 1.00 1.48 C ATOM 72 OD1 ASN A 15 13.791 -4.122 2.258 1.00 2.06 O ATOM 73 ND2 ASN A 15 15.203 -3.565 0.613 1.00 2.23 N ATOM 0 H ASN A 15 12.223 -3.085 3.410 1.00 0.68 H new ATOM 0 HA ASN A 15 11.783 -0.839 1.508 1.00 0.59 H new ATOM 0 HB2 ASN A 15 13.721 -1.543 0.325 1.00 0.71 H new ATOM 0 HB3 ASN A 15 14.159 -1.234 1.993 1.00 0.71 H new ATOM 0 HD21 ASN A 15 15.656 -4.479 0.635 1.00 2.23 H new ATOM 0 HD22 ASN A 15 15.518 -2.856 -0.049 1.00 2.23 H new ATOM 80 N ILE A 16 10.096 -3.091 1.404 1.00 0.46 N ATOM 81 CA ILE A 16 9.259 -4.152 0.885 1.00 0.46 C ATOM 82 C ILE A 16 8.082 -3.571 0.128 1.00 0.47 C ATOM 83 O ILE A 16 7.094 -3.146 0.726 1.00 0.57 O ATOM 84 CB ILE A 16 8.726 -5.059 2.019 1.00 0.56 C ATOM 85 CG1 ILE A 16 9.866 -5.519 2.935 1.00 0.72 C ATOM 86 CG2 ILE A 16 7.992 -6.264 1.436 1.00 0.58 C ATOM 87 CD1 ILE A 16 10.927 -6.340 2.237 1.00 0.77 C ATOM 0 H ILE A 16 9.672 -2.554 2.160 1.00 0.46 H new ATOM 0 HA ILE A 16 9.874 -4.752 0.215 1.00 0.46 H new ATOM 0 HB ILE A 16 8.024 -4.478 2.617 1.00 0.56 H new ATOM 0 HG12 ILE A 16 10.335 -4.642 3.381 1.00 0.72 H new ATOM 0 HG13 ILE A 16 9.447 -6.106 3.752 1.00 0.72 H new ATOM 0 HG21 ILE A 16 7.623 -6.892 2.247 1.00 0.58 H new ATOM 0 HG22 ILE A 16 7.152 -5.921 0.832 1.00 0.58 H new ATOM 0 HG23 ILE A 16 8.676 -6.840 0.813 1.00 0.58 H new ATOM 0 HD11 ILE A 16 11.697 -6.625 2.954 1.00 0.77 H new ATOM 0 HD12 ILE A 16 10.474 -7.237 1.815 1.00 0.77 H new ATOM 0 HD13 ILE A 16 11.376 -5.750 1.438 1.00 0.77 H new ATOM 99 N GLY A 17 8.201 -3.537 -1.182 1.00 0.41 N ATOM 100 CA GLY A 17 7.101 -3.101 -2.006 1.00 0.44 C ATOM 101 C GLY A 17 6.278 -4.282 -2.456 1.00 0.37 C ATOM 102 O GLY A 17 6.686 -5.426 -2.263 1.00 0.35 O ATOM 0 H GLY A 17 9.042 -3.804 -1.693 1.00 0.41 H new ATOM 0 HA2 GLY A 17 6.475 -2.405 -1.448 1.00 0.44 H new ATOM 0 HA3 GLY A 17 7.480 -2.563 -2.874 1.00 0.44 H new ATOM 106 N SER A 18 5.131 -4.030 -3.055 1.00 0.39 N ATOM 107 CA SER A 18 4.290 -5.111 -3.526 1.00 0.32 C ATOM 108 C SER A 18 3.789 -4.818 -4.930 1.00 0.37 C ATOM 109 O SER A 18 3.404 -3.695 -5.222 1.00 0.45 O ATOM 110 CB SER A 18 3.109 -5.327 -2.572 1.00 0.32 C ATOM 111 OG SER A 18 2.390 -6.506 -2.904 1.00 1.00 O ATOM 0 H SER A 18 4.763 -3.094 -3.226 1.00 0.39 H new ATOM 0 HA SER A 18 4.884 -6.024 -3.553 1.00 0.32 H new ATOM 0 HB2 SER A 18 3.474 -5.397 -1.547 1.00 0.32 H new ATOM 0 HB3 SER A 18 2.441 -4.466 -2.615 1.00 0.32 H new ATOM 0 HG SER A 18 3.006 -7.170 -3.278 1.00 1.00 H new ATOM 117 N LYS A 19 3.806 -5.824 -5.799 1.00 0.39 N ATOM 118 CA LYS A 19 3.305 -5.661 -7.160 1.00 0.49 C ATOM 119 C LYS A 19 1.866 -6.138 -7.284 1.00 0.38 C ATOM 120 O LYS A 19 1.396 -6.453 -8.378 1.00 0.41 O ATOM 121 CB LYS A 19 4.171 -6.400 -8.165 1.00 0.69 C ATOM 122 CG LYS A 19 5.578 -5.855 -8.271 1.00 0.96 C ATOM 123 CD LYS A 19 6.083 -5.892 -9.695 1.00 1.10 C ATOM 124 CE LYS A 19 6.163 -7.312 -10.233 1.00 1.75 C ATOM 125 NZ LYS A 19 6.561 -7.341 -11.664 1.00 2.49 N ATOM 0 H LYS A 19 4.160 -6.757 -5.587 1.00 0.39 H new ATOM 0 HA LYS A 19 3.343 -4.594 -7.381 1.00 0.49 H new ATOM 0 HB2 LYS A 19 4.218 -7.453 -7.886 1.00 0.69 H new ATOM 0 HB3 LYS A 19 3.697 -6.351 -9.145 1.00 0.69 H new ATOM 0 HG2 LYS A 19 5.600 -4.829 -7.903 1.00 0.96 H new ATOM 0 HG3 LYS A 19 6.243 -6.437 -7.633 1.00 0.96 H new ATOM 0 HD2 LYS A 19 5.423 -5.300 -10.329 1.00 1.10 H new ATOM 0 HD3 LYS A 19 7.069 -5.430 -9.742 1.00 1.10 H new ATOM 0 HE2 LYS A 19 6.881 -7.883 -9.645 1.00 1.75 H new ATOM 0 HE3 LYS A 19 5.195 -7.800 -10.115 1.00 1.75 H new ATOM 0 HZ1 LYS A 19 6.604 -8.327 -11.992 1.00 2.49 H new ATOM 0 HZ2 LYS A 19 5.862 -6.818 -12.229 1.00 2.49 H new ATOM 0 HZ3 LYS A 19 7.496 -6.899 -11.773 1.00 2.49 H new ATOM 139 N ALA A 20 1.177 -6.206 -6.156 1.00 0.31 N ATOM 140 CA ALA A 20 -0.249 -6.500 -6.149 1.00 0.26 C ATOM 141 C ALA A 20 -1.002 -5.406 -6.873 1.00 0.21 C ATOM 142 O ALA A 20 -0.501 -4.292 -7.043 1.00 0.27 O ATOM 143 CB ALA A 20 -0.752 -6.633 -4.725 1.00 0.23 C ATOM 0 H ALA A 20 1.582 -6.061 -5.231 1.00 0.31 H new ATOM 0 HA ALA A 20 -0.418 -7.446 -6.664 1.00 0.26 H new ATOM 0 HB1 ALA A 20 -1.820 -6.853 -4.735 1.00 0.23 H new ATOM 0 HB2 ALA A 20 -0.220 -7.442 -4.225 1.00 0.23 H new ATOM 0 HB3 ALA A 20 -0.579 -5.700 -4.189 1.00 0.23 H new ATOM 149 N GLN A 21 -2.203 -5.725 -7.288 1.00 0.24 N ATOM 150 CA GLN A 21 -2.981 -4.825 -8.096 1.00 0.25 C ATOM 151 C GLN A 21 -3.788 -3.879 -7.225 1.00 0.21 C ATOM 152 O GLN A 21 -4.506 -4.304 -6.312 1.00 0.23 O ATOM 153 CB GLN A 21 -3.879 -5.638 -9.016 1.00 0.33 C ATOM 154 CG GLN A 21 -3.135 -6.272 -10.181 1.00 1.08 C ATOM 155 CD GLN A 21 -4.048 -7.052 -11.108 1.00 1.45 C ATOM 156 OE1 GLN A 21 -5.068 -7.597 -10.685 1.00 1.96 O ATOM 157 NE2 GLN A 21 -3.685 -7.118 -12.379 1.00 1.95 N ATOM 0 H GLN A 21 -2.664 -6.610 -7.076 1.00 0.24 H new ATOM 0 HA GLN A 21 -2.316 -4.210 -8.703 1.00 0.25 H new ATOM 0 HB2 GLN A 21 -4.366 -6.422 -8.436 1.00 0.33 H new ATOM 0 HB3 GLN A 21 -4.667 -4.993 -9.405 1.00 0.33 H new ATOM 0 HG2 GLN A 21 -2.628 -5.492 -10.750 1.00 1.08 H new ATOM 0 HG3 GLN A 21 -2.363 -6.938 -9.794 1.00 1.08 H new ATOM 0 HE21 GLN A 21 -2.832 -6.653 -12.691 1.00 1.95 H new ATOM 0 HE22 GLN A 21 -4.258 -7.634 -13.047 1.00 1.95 H new ATOM 166 N THR A 22 -3.635 -2.593 -7.499 1.00 0.22 N ATOM 167 CA THR A 22 -4.338 -1.556 -6.770 1.00 0.22 C ATOM 168 C THR A 22 -5.841 -1.676 -6.988 1.00 0.24 C ATOM 169 O THR A 22 -6.302 -1.957 -8.096 1.00 0.29 O ATOM 170 CB THR A 22 -3.844 -0.165 -7.212 1.00 0.26 C ATOM 171 OG1 THR A 22 -2.976 -0.305 -8.346 1.00 0.57 O ATOM 172 CG2 THR A 22 -3.102 0.545 -6.086 1.00 0.28 C ATOM 0 H THR A 22 -3.020 -2.242 -8.233 1.00 0.22 H new ATOM 0 HA THR A 22 -4.132 -1.680 -5.707 1.00 0.22 H new ATOM 0 HB THR A 22 -4.713 0.437 -7.477 1.00 0.26 H new ATOM 0 HG1 THR A 22 -2.663 0.579 -8.629 1.00 0.57 H new ATOM 0 HG21 THR A 22 -2.767 1.523 -6.431 1.00 0.28 H new ATOM 0 HG22 THR A 22 -3.769 0.670 -5.233 1.00 0.28 H new ATOM 0 HG23 THR A 22 -2.239 -0.050 -5.788 1.00 0.28 H new ATOM 180 N ILE A 23 -6.596 -1.476 -5.919 1.00 0.23 N ATOM 181 CA ILE A 23 -8.046 -1.638 -5.944 1.00 0.28 C ATOM 182 C ILE A 23 -8.702 -0.457 -6.654 1.00 0.36 C ATOM 183 O ILE A 23 -9.895 -0.477 -6.961 1.00 0.43 O ATOM 184 CB ILE A 23 -8.600 -1.745 -4.516 1.00 0.28 C ATOM 185 CG1 ILE A 23 -7.613 -2.505 -3.645 1.00 0.22 C ATOM 186 CG2 ILE A 23 -9.951 -2.447 -4.501 1.00 0.34 C ATOM 187 CD1 ILE A 23 -8.169 -2.877 -2.304 1.00 0.26 C ATOM 0 H ILE A 23 -6.225 -1.198 -5.011 1.00 0.23 H new ATOM 0 HA ILE A 23 -8.274 -2.555 -6.486 1.00 0.28 H new ATOM 0 HB ILE A 23 -8.739 -0.738 -4.124 1.00 0.28 H new ATOM 0 HG12 ILE A 23 -7.302 -3.411 -4.166 1.00 0.22 H new ATOM 0 HG13 ILE A 23 -6.720 -1.896 -3.504 1.00 0.22 H new ATOM 0 HG21 ILE A 23 -10.318 -2.508 -3.476 1.00 0.34 H new ATOM 0 HG22 ILE A 23 -10.660 -1.884 -5.108 1.00 0.34 H new ATOM 0 HG23 ILE A 23 -9.843 -3.452 -4.908 1.00 0.34 H new ATOM 0 HD11 ILE A 23 -7.413 -3.417 -1.734 1.00 0.26 H new ATOM 0 HD12 ILE A 23 -8.454 -1.974 -1.765 1.00 0.26 H new ATOM 0 HD13 ILE A 23 -9.045 -3.512 -2.437 1.00 0.26 H new ATOM 199 N GLY A 24 -7.902 0.567 -6.903 1.00 0.38 N ATOM 200 CA GLY A 24 -8.374 1.747 -7.588 1.00 0.45 C ATOM 201 C GLY A 24 -7.219 2.565 -8.118 1.00 0.31 C ATOM 202 O GLY A 24 -6.125 2.035 -8.327 1.00 0.34 O ATOM 0 H GLY A 24 -6.918 0.599 -6.637 1.00 0.38 H new ATOM 0 HA2 GLY A 24 -9.027 1.457 -8.411 1.00 0.45 H new ATOM 0 HA3 GLY A 24 -8.971 2.353 -6.906 1.00 0.45 H new ATOM 206 N GLU A 25 -7.449 3.851 -8.329 1.00 0.26 N ATOM 207 CA GLU A 25 -6.405 4.742 -8.810 1.00 0.29 C ATOM 208 C GLU A 25 -5.438 5.074 -7.683 1.00 0.25 C ATOM 209 O GLU A 25 -5.836 5.172 -6.518 1.00 0.32 O ATOM 210 CB GLU A 25 -7.012 6.027 -9.366 1.00 0.46 C ATOM 211 CG GLU A 25 -7.980 5.794 -10.508 1.00 1.30 C ATOM 212 CD GLU A 25 -8.554 7.084 -11.042 1.00 1.45 C ATOM 213 OE1 GLU A 25 -7.890 7.730 -11.876 1.00 1.33 O ATOM 214 OE2 GLU A 25 -9.665 7.465 -10.617 1.00 2.04 O ATOM 0 H GLU A 25 -8.351 4.302 -8.175 1.00 0.26 H new ATOM 0 HA GLU A 25 -5.863 4.236 -9.609 1.00 0.29 H new ATOM 0 HB2 GLU A 25 -7.530 6.552 -8.563 1.00 0.46 H new ATOM 0 HB3 GLU A 25 -6.209 6.680 -9.708 1.00 0.46 H new ATOM 0 HG2 GLU A 25 -7.469 5.265 -11.313 1.00 1.30 H new ATOM 0 HG3 GLU A 25 -8.792 5.150 -10.168 1.00 1.30 H new ATOM 221 N VAL A 26 -4.174 5.249 -8.033 1.00 0.23 N ATOM 222 CA VAL A 26 -3.148 5.538 -7.048 1.00 0.20 C ATOM 223 C VAL A 26 -3.168 7.006 -6.669 1.00 0.22 C ATOM 224 O VAL A 26 -2.706 7.864 -7.424 1.00 0.24 O ATOM 225 CB VAL A 26 -1.743 5.170 -7.555 1.00 0.21 C ATOM 226 CG1 VAL A 26 -0.720 5.325 -6.441 1.00 0.19 C ATOM 227 CG2 VAL A 26 -1.741 3.755 -8.107 1.00 0.26 C ATOM 0 H VAL A 26 -3.835 5.196 -8.994 1.00 0.23 H new ATOM 0 HA VAL A 26 -3.371 4.927 -6.173 1.00 0.20 H new ATOM 0 HB VAL A 26 -1.467 5.851 -8.361 1.00 0.21 H new ATOM 0 HG11 VAL A 26 0.269 5.061 -6.816 1.00 0.19 H new ATOM 0 HG12 VAL A 26 -0.713 6.359 -6.095 1.00 0.19 H new ATOM 0 HG13 VAL A 26 -0.982 4.667 -5.613 1.00 0.19 H new ATOM 0 HG21 VAL A 26 -0.742 3.505 -8.463 1.00 0.26 H new ATOM 0 HG22 VAL A 26 -2.031 3.058 -7.321 1.00 0.26 H new ATOM 0 HG23 VAL A 26 -2.449 3.686 -8.933 1.00 0.26 H new ATOM 237 N LYS A 27 -3.724 7.288 -5.508 1.00 0.28 N ATOM 238 CA LYS A 27 -3.767 8.640 -4.991 1.00 0.33 C ATOM 239 C LYS A 27 -2.661 8.824 -3.967 1.00 0.26 C ATOM 240 O LYS A 27 -2.175 7.851 -3.385 1.00 0.31 O ATOM 241 CB LYS A 27 -5.134 8.930 -4.369 1.00 0.48 C ATOM 242 CG LYS A 27 -6.271 8.881 -5.376 1.00 1.03 C ATOM 243 CD LYS A 27 -7.608 9.205 -4.731 1.00 1.43 C ATOM 244 CE LYS A 27 -8.728 9.233 -5.759 1.00 2.04 C ATOM 245 NZ LYS A 27 -10.037 9.587 -5.151 1.00 2.50 N ATOM 0 H LYS A 27 -4.156 6.592 -4.900 1.00 0.28 H new ATOM 0 HA LYS A 27 -3.614 9.344 -5.809 1.00 0.33 H new ATOM 0 HB2 LYS A 27 -5.327 8.206 -3.577 1.00 0.48 H new ATOM 0 HB3 LYS A 27 -5.112 9.915 -3.902 1.00 0.48 H new ATOM 0 HG2 LYS A 27 -6.075 9.589 -6.181 1.00 1.03 H new ATOM 0 HG3 LYS A 27 -6.315 7.890 -5.827 1.00 1.03 H new ATOM 0 HD2 LYS A 27 -7.834 8.463 -3.965 1.00 1.43 H new ATOM 0 HD3 LYS A 27 -7.547 10.171 -4.230 1.00 1.43 H new ATOM 0 HE2 LYS A 27 -8.485 9.954 -6.540 1.00 2.04 H new ATOM 0 HE3 LYS A 27 -8.804 8.257 -6.239 1.00 2.04 H new ATOM 0 HZ1 LYS A 27 -10.771 9.594 -5.887 1.00 2.50 H new ATOM 0 HZ2 LYS A 27 -10.283 8.885 -4.424 1.00 2.50 H new ATOM 0 HZ3 LYS A 27 -9.974 10.529 -4.716 1.00 2.50 H new ATOM 259 N ARG A 28 -2.254 10.061 -3.753 1.00 0.26 N ATOM 260 CA ARG A 28 -1.151 10.337 -2.850 1.00 0.23 C ATOM 261 C ARG A 28 -1.666 10.411 -1.416 1.00 0.21 C ATOM 262 O ARG A 28 -2.797 10.840 -1.178 1.00 0.29 O ATOM 263 CB ARG A 28 -0.445 11.646 -3.220 1.00 0.31 C ATOM 264 CG ARG A 28 -0.415 11.944 -4.709 1.00 1.25 C ATOM 265 CD ARG A 28 0.427 13.173 -5.012 1.00 1.23 C ATOM 266 NE ARG A 28 1.849 12.957 -4.727 1.00 1.92 N ATOM 267 CZ ARG A 28 2.791 13.894 -4.872 1.00 2.19 C ATOM 268 NH1 ARG A 28 2.463 15.125 -5.249 1.00 1.66 N ATOM 269 NH2 ARG A 28 4.062 13.601 -4.631 1.00 3.25 N ATOM 0 H ARG A 28 -2.667 10.886 -4.188 1.00 0.26 H new ATOM 0 HA ARG A 28 -0.427 9.527 -2.937 1.00 0.23 H new ATOM 0 HB2 ARG A 28 -0.941 12.470 -2.707 1.00 0.31 H new ATOM 0 HB3 ARG A 28 0.579 11.610 -2.848 1.00 0.31 H new ATOM 0 HG2 ARG A 28 -0.013 11.085 -5.246 1.00 1.25 H new ATOM 0 HG3 ARG A 28 -1.431 12.099 -5.071 1.00 1.25 H new ATOM 0 HD2 ARG A 28 0.306 13.444 -6.061 1.00 1.23 H new ATOM 0 HD3 ARG A 28 0.064 14.014 -4.421 1.00 1.23 H new ATOM 0 HE ARG A 28 2.137 12.035 -4.398 1.00 1.92 H new ATOM 0 HH11 ARG A 28 1.487 15.360 -5.430 1.00 1.66 H new ATOM 0 HH12 ARG A 28 3.187 15.835 -5.358 1.00 1.66 H new ATOM 0 HH21 ARG A 28 4.321 12.660 -4.335 1.00 3.25 H new ATOM 0 HH22 ARG A 28 4.780 14.317 -4.742 1.00 3.25 H new ATOM 283 N ALA A 29 -0.842 9.994 -0.468 1.00 0.17 N ATOM 284 CA ALA A 29 -1.236 9.992 0.931 1.00 0.19 C ATOM 285 C ALA A 29 -0.214 10.724 1.784 1.00 0.24 C ATOM 286 O ALA A 29 0.989 10.684 1.517 1.00 0.33 O ATOM 287 CB ALA A 29 -1.430 8.572 1.440 1.00 0.16 C ATOM 0 H ALA A 29 0.103 9.653 -0.642 1.00 0.17 H new ATOM 0 HA ALA A 29 -2.188 10.517 1.008 1.00 0.19 H new ATOM 0 HB1 ALA A 29 -1.724 8.599 2.489 1.00 0.16 H new ATOM 0 HB2 ALA A 29 -2.208 8.080 0.857 1.00 0.16 H new ATOM 0 HB3 ALA A 29 -0.496 8.019 1.339 1.00 0.16 H new ATOM 293 N SER A 30 -0.712 11.390 2.817 1.00 0.30 N ATOM 294 CA SER A 30 0.111 12.224 3.681 1.00 0.37 C ATOM 295 C SER A 30 1.089 11.398 4.514 1.00 0.29 C ATOM 296 O SER A 30 2.103 11.916 4.981 1.00 0.42 O ATOM 297 CB SER A 30 -0.790 13.038 4.604 1.00 0.53 C ATOM 298 OG SER A 30 -1.819 13.675 3.866 1.00 1.37 O ATOM 0 H SER A 30 -1.697 11.367 3.079 1.00 0.30 H new ATOM 0 HA SER A 30 0.699 12.886 3.045 1.00 0.37 H new ATOM 0 HB2 SER A 30 -1.228 12.386 5.360 1.00 0.53 H new ATOM 0 HB3 SER A 30 -0.198 13.786 5.132 1.00 0.53 H new ATOM 0 HG SER A 30 -2.387 14.191 4.475 1.00 1.37 H new ATOM 304 N SER A 31 0.784 10.123 4.696 1.00 0.19 N ATOM 305 CA SER A 31 1.615 9.252 5.513 1.00 0.19 C ATOM 306 C SER A 31 1.307 7.786 5.225 1.00 0.18 C ATOM 307 O SER A 31 0.439 7.480 4.402 1.00 0.21 O ATOM 308 CB SER A 31 1.381 9.551 6.996 1.00 0.25 C ATOM 309 OG SER A 31 0.009 9.410 7.326 1.00 0.78 O ATOM 0 H SER A 31 -0.033 9.668 4.289 1.00 0.19 H new ATOM 0 HA SER A 31 2.660 9.441 5.267 1.00 0.19 H new ATOM 0 HB2 SER A 31 1.978 8.874 7.607 1.00 0.25 H new ATOM 0 HB3 SER A 31 1.713 10.564 7.225 1.00 0.25 H new ATOM 0 HG SER A 31 -0.085 8.778 8.069 1.00 0.78 H new ATOM 315 N LEU A 32 2.011 6.884 5.898 1.00 0.17 N ATOM 316 CA LEU A 32 1.743 5.460 5.764 1.00 0.18 C ATOM 317 C LEU A 32 0.390 5.148 6.401 1.00 0.18 C ATOM 318 O LEU A 32 -0.423 4.417 5.833 1.00 0.21 O ATOM 319 CB LEU A 32 2.888 4.646 6.406 1.00 0.20 C ATOM 320 CG LEU A 32 2.839 3.113 6.258 1.00 0.26 C ATOM 321 CD1 LEU A 32 1.780 2.471 7.136 1.00 0.81 C ATOM 322 CD2 LEU A 32 2.638 2.741 4.809 1.00 0.87 C ATOM 0 H LEU A 32 2.770 7.114 6.540 1.00 0.17 H new ATOM 0 HA LEU A 32 1.698 5.179 4.712 1.00 0.18 H new ATOM 0 HB2 LEU A 32 3.829 4.995 5.981 1.00 0.20 H new ATOM 0 HB3 LEU A 32 2.912 4.881 7.470 1.00 0.20 H new ATOM 0 HG LEU A 32 3.797 2.723 6.601 1.00 0.26 H new ATOM 0 HD11 LEU A 32 1.792 1.391 6.990 1.00 0.81 H new ATOM 0 HD12 LEU A 32 1.988 2.698 8.182 1.00 0.81 H new ATOM 0 HD13 LEU A 32 0.799 2.863 6.868 1.00 0.81 H new ATOM 0 HD21 LEU A 32 2.605 1.656 4.713 1.00 0.87 H new ATOM 0 HD22 LEU A 32 1.700 3.166 4.451 1.00 0.87 H new ATOM 0 HD23 LEU A 32 3.464 3.132 4.215 1.00 0.87 H new ATOM 334 N SER A 33 0.141 5.746 7.565 1.00 0.21 N ATOM 335 CA SER A 33 -1.127 5.579 8.267 1.00 0.24 C ATOM 336 C SER A 33 -2.287 6.107 7.423 1.00 0.20 C ATOM 337 O SER A 33 -3.409 5.601 7.499 1.00 0.20 O ATOM 338 CB SER A 33 -1.076 6.302 9.614 1.00 0.31 C ATOM 339 OG SER A 33 -0.664 7.650 9.452 1.00 0.99 O ATOM 0 H SER A 33 0.806 6.354 8.043 1.00 0.21 H new ATOM 0 HA SER A 33 -1.291 4.516 8.441 1.00 0.24 H new ATOM 0 HB2 SER A 33 -2.059 6.272 10.084 1.00 0.31 H new ATOM 0 HB3 SER A 33 -0.387 5.785 10.282 1.00 0.31 H new ATOM 0 HG SER A 33 -0.641 8.092 10.326 1.00 0.99 H new ATOM 345 N GLU A 34 -2.005 7.131 6.624 1.00 0.20 N ATOM 346 CA GLU A 34 -2.975 7.651 5.672 1.00 0.20 C ATOM 347 C GLU A 34 -3.321 6.559 4.672 1.00 0.18 C ATOM 348 O GLU A 34 -4.486 6.267 4.432 1.00 0.20 O ATOM 349 CB GLU A 34 -2.395 8.866 4.945 1.00 0.26 C ATOM 350 CG GLU A 34 -3.433 9.870 4.453 1.00 0.36 C ATOM 351 CD GLU A 34 -4.380 9.355 3.388 1.00 1.03 C ATOM 352 OE1 GLU A 34 -5.444 8.815 3.753 1.00 1.20 O ATOM 353 OE2 GLU A 34 -4.097 9.536 2.191 1.00 1.69 O ATOM 0 H GLU A 34 -1.109 7.617 6.619 1.00 0.20 H new ATOM 0 HA GLU A 34 -3.877 7.961 6.200 1.00 0.20 H new ATOM 0 HB2 GLU A 34 -1.704 9.377 5.615 1.00 0.26 H new ATOM 0 HB3 GLU A 34 -1.813 8.518 4.092 1.00 0.26 H new ATOM 0 HG2 GLU A 34 -4.021 10.207 5.307 1.00 0.36 H new ATOM 0 HG3 GLU A 34 -2.912 10.743 4.061 1.00 0.36 H new ATOM 360 N CYS A 35 -2.294 5.927 4.123 1.00 0.17 N ATOM 361 CA CYS A 35 -2.485 4.858 3.154 1.00 0.16 C ATOM 362 C CYS A 35 -3.219 3.680 3.796 1.00 0.16 C ATOM 363 O CYS A 35 -3.932 2.939 3.121 1.00 0.20 O ATOM 364 CB CYS A 35 -1.141 4.414 2.577 1.00 0.19 C ATOM 365 SG CYS A 35 -1.303 3.314 1.141 1.00 0.20 S ATOM 0 H CYS A 35 -1.318 6.137 4.333 1.00 0.17 H new ATOM 0 HA CYS A 35 -3.098 5.235 2.336 1.00 0.16 H new ATOM 0 HB2 CYS A 35 -0.569 5.295 2.288 1.00 0.19 H new ATOM 0 HB3 CYS A 35 -0.571 3.904 3.354 1.00 0.19 H new ATOM 370 N ARG A 36 -3.060 3.520 5.107 1.00 0.18 N ATOM 371 CA ARG A 36 -3.839 2.535 5.847 1.00 0.22 C ATOM 372 C ARG A 36 -5.318 2.894 5.780 1.00 0.25 C ATOM 373 O ARG A 36 -6.160 2.039 5.524 1.00 0.28 O ATOM 374 CB ARG A 36 -3.382 2.456 7.306 1.00 0.26 C ATOM 375 CG ARG A 36 -4.181 1.467 8.143 1.00 0.35 C ATOM 376 CD ARG A 36 -3.756 1.497 9.601 1.00 0.46 C ATOM 377 NE ARG A 36 -4.502 0.534 10.410 1.00 1.31 N ATOM 378 CZ ARG A 36 -4.407 0.447 11.737 1.00 1.67 C ATOM 379 NH1 ARG A 36 -3.641 1.299 12.410 1.00 1.32 N ATOM 380 NH2 ARG A 36 -5.096 -0.478 12.391 1.00 2.77 N ATOM 0 H ARG A 36 -2.403 4.056 5.674 1.00 0.18 H new ATOM 0 HA ARG A 36 -3.682 1.558 5.391 1.00 0.22 H new ATOM 0 HB2 ARG A 36 -2.329 2.175 7.333 1.00 0.26 H new ATOM 0 HB3 ARG A 36 -3.459 3.446 7.756 1.00 0.26 H new ATOM 0 HG2 ARG A 36 -5.243 1.701 8.068 1.00 0.35 H new ATOM 0 HG3 ARG A 36 -4.047 0.461 7.745 1.00 0.35 H new ATOM 0 HD2 ARG A 36 -2.690 1.281 9.672 1.00 0.46 H new ATOM 0 HD3 ARG A 36 -3.906 2.500 10.002 1.00 0.46 H new ATOM 0 HE ARG A 36 -5.132 -0.109 9.931 1.00 1.31 H new ATOM 0 HH11 ARG A 36 -3.123 2.023 11.911 1.00 1.32 H new ATOM 0 HH12 ARG A 36 -3.571 1.229 13.425 1.00 1.32 H new ATOM 0 HH21 ARG A 36 -5.698 -1.123 11.879 1.00 2.77 H new ATOM 0 HH22 ARG A 36 -5.024 -0.545 13.406 1.00 2.77 H new ATOM 394 N ALA A 37 -5.617 4.172 5.984 1.00 0.29 N ATOM 395 CA ALA A 37 -6.984 4.675 5.891 1.00 0.37 C ATOM 396 C ALA A 37 -7.510 4.531 4.467 1.00 0.37 C ATOM 397 O ALA A 37 -8.695 4.273 4.245 1.00 0.42 O ATOM 398 CB ALA A 37 -7.037 6.130 6.332 1.00 0.41 C ATOM 0 H ALA A 37 -4.925 4.884 6.217 1.00 0.29 H new ATOM 0 HA ALA A 37 -7.619 4.085 6.552 1.00 0.37 H new ATOM 0 HB1 ALA A 37 -8.061 6.495 6.259 1.00 0.41 H new ATOM 0 HB2 ALA A 37 -6.696 6.210 7.364 1.00 0.41 H new ATOM 0 HB3 ALA A 37 -6.391 6.729 5.689 1.00 0.41 H new ATOM 404 N ARG A 38 -6.611 4.699 3.509 1.00 0.33 N ATOM 405 CA ARG A 38 -6.926 4.515 2.100 1.00 0.36 C ATOM 406 C ARG A 38 -7.256 3.051 1.814 1.00 0.34 C ATOM 407 O ARG A 38 -8.098 2.736 0.972 1.00 0.42 O ATOM 408 CB ARG A 38 -5.761 4.980 1.258 1.00 0.39 C ATOM 409 CG ARG A 38 -5.427 6.413 1.536 1.00 0.73 C ATOM 410 CD ARG A 38 -5.198 7.165 0.267 1.00 1.47 C ATOM 411 NE ARG A 38 -6.445 7.543 -0.389 1.00 1.91 N ATOM 412 CZ ARG A 38 -6.755 8.791 -0.728 1.00 2.93 C ATOM 413 NH1 ARG A 38 -5.946 9.794 -0.403 1.00 3.77 N ATOM 414 NH2 ARG A 38 -7.893 9.037 -1.365 1.00 3.34 N ATOM 0 H ARG A 38 -5.643 4.967 3.686 1.00 0.33 H new ATOM 0 HA ARG A 38 -7.803 5.111 1.846 1.00 0.36 H new ATOM 0 HB2 ARG A 38 -4.891 4.356 1.461 1.00 0.39 H new ATOM 0 HB3 ARG A 38 -6.001 4.859 0.202 1.00 0.39 H new ATOM 0 HG2 ARG A 38 -6.239 6.877 2.096 1.00 0.73 H new ATOM 0 HG3 ARG A 38 -4.536 6.468 2.161 1.00 0.73 H new ATOM 0 HD2 ARG A 38 -4.616 8.062 0.479 1.00 1.47 H new ATOM 0 HD3 ARG A 38 -4.604 6.553 -0.412 1.00 1.47 H new ATOM 0 HE ARG A 38 -7.119 6.807 -0.600 1.00 1.91 H new ATOM 0 HH11 ARG A 38 -5.083 9.608 0.108 1.00 3.77 H new ATOM 0 HH12 ARG A 38 -6.188 10.750 -0.665 1.00 3.77 H new ATOM 0 HH21 ARG A 38 -8.526 8.270 -1.593 1.00 3.34 H new ATOM 0 HH22 ARG A 38 -8.135 9.993 -1.627 1.00 3.34 H new ATOM 428 N CYS A 39 -6.580 2.166 2.539 1.00 0.28 N ATOM 429 CA CYS A 39 -6.836 0.732 2.464 1.00 0.31 C ATOM 430 C CYS A 39 -8.161 0.396 3.142 1.00 0.32 C ATOM 431 O CYS A 39 -8.913 -0.462 2.676 1.00 0.38 O ATOM 432 CB CYS A 39 -5.694 -0.036 3.137 1.00 0.36 C ATOM 433 SG CYS A 39 -5.897 -1.847 3.137 1.00 0.95 S ATOM 0 H CYS A 39 -5.841 2.422 3.194 1.00 0.28 H new ATOM 0 HA CYS A 39 -6.895 0.439 1.416 1.00 0.31 H new ATOM 0 HB2 CYS A 39 -4.760 0.212 2.633 1.00 0.36 H new ATOM 0 HB3 CYS A 39 -5.601 0.306 4.168 1.00 0.36 H new ATOM 438 N GLN A 40 -8.443 1.088 4.243 1.00 0.35 N ATOM 439 CA GLN A 40 -9.685 0.912 4.984 1.00 0.41 C ATOM 440 C GLN A 40 -10.899 1.254 4.131 1.00 0.39 C ATOM 441 O GLN A 40 -12.006 0.772 4.382 1.00 0.44 O ATOM 442 CB GLN A 40 -9.663 1.781 6.222 1.00 0.48 C ATOM 443 CG GLN A 40 -8.588 1.363 7.194 1.00 0.85 C ATOM 444 CD GLN A 40 -8.847 0.005 7.809 1.00 1.23 C ATOM 445 OE1 GLN A 40 -8.429 -1.025 7.280 1.00 1.75 O ATOM 446 NE2 GLN A 40 -9.543 -0.010 8.932 1.00 1.90 N ATOM 0 H GLN A 40 -7.816 1.785 4.645 1.00 0.35 H new ATOM 0 HA GLN A 40 -9.764 -0.137 5.270 1.00 0.41 H new ATOM 0 HB2 GLN A 40 -9.504 2.820 5.932 1.00 0.48 H new ATOM 0 HB3 GLN A 40 -10.634 1.733 6.715 1.00 0.48 H new ATOM 0 HG2 GLN A 40 -7.627 1.346 6.680 1.00 0.85 H new ATOM 0 HG3 GLN A 40 -8.513 2.107 7.987 1.00 0.85 H new ATOM 0 HE21 GLN A 40 -9.872 0.865 9.340 1.00 1.90 H new ATOM 0 HE22 GLN A 40 -9.751 -0.897 9.391 1.00 1.90 H new ATOM 455 N ALA A 41 -10.684 2.099 3.131 1.00 0.36 N ATOM 456 CA ALA A 41 -11.745 2.506 2.226 1.00 0.37 C ATOM 457 C ALA A 41 -12.274 1.316 1.433 1.00 0.32 C ATOM 458 O ALA A 41 -13.483 1.151 1.277 1.00 0.41 O ATOM 459 CB ALA A 41 -11.245 3.591 1.286 1.00 0.45 C ATOM 0 H ALA A 41 -9.776 2.517 2.927 1.00 0.36 H new ATOM 0 HA ALA A 41 -12.566 2.906 2.820 1.00 0.37 H new ATOM 0 HB1 ALA A 41 -12.049 3.888 0.613 1.00 0.45 H new ATOM 0 HB2 ALA A 41 -10.921 4.454 1.867 1.00 0.45 H new ATOM 0 HB3 ALA A 41 -10.406 3.210 0.704 1.00 0.45 H new ATOM 465 N GLU A 42 -11.367 0.473 0.958 1.00 0.37 N ATOM 466 CA GLU A 42 -11.745 -0.671 0.141 1.00 0.43 C ATOM 467 C GLU A 42 -12.067 -1.880 1.007 1.00 0.46 C ATOM 468 O GLU A 42 -11.564 -2.015 2.122 1.00 0.66 O ATOM 469 CB GLU A 42 -10.624 -1.031 -0.828 1.00 0.51 C ATOM 470 CG GLU A 42 -10.185 0.114 -1.722 1.00 0.37 C ATOM 471 CD GLU A 42 -11.346 0.857 -2.347 1.00 1.03 C ATOM 472 OE1 GLU A 42 -12.031 0.269 -3.208 1.00 1.53 O ATOM 473 OE2 GLU A 42 -11.574 2.031 -1.992 1.00 1.47 O ATOM 0 H GLU A 42 -10.364 0.560 1.125 1.00 0.37 H new ATOM 0 HA GLU A 42 -12.636 -0.393 -0.422 1.00 0.43 H new ATOM 0 HB2 GLU A 42 -9.764 -1.382 -0.257 1.00 0.51 H new ATOM 0 HB3 GLU A 42 -10.952 -1.861 -1.454 1.00 0.51 H new ATOM 0 HG2 GLU A 42 -9.585 0.813 -1.139 1.00 0.37 H new ATOM 0 HG3 GLU A 42 -9.543 -0.275 -2.512 1.00 0.37 H new ATOM 480 N LYS A 43 -12.908 -2.757 0.477 1.00 0.49 N ATOM 481 CA LYS A 43 -13.321 -3.959 1.187 1.00 0.54 C ATOM 482 C LYS A 43 -12.353 -5.107 0.929 1.00 0.50 C ATOM 483 O LYS A 43 -12.124 -5.941 1.801 1.00 0.67 O ATOM 484 CB LYS A 43 -14.728 -4.374 0.756 1.00 0.66 C ATOM 485 CG LYS A 43 -15.798 -3.347 1.088 1.00 1.47 C ATOM 486 CD LYS A 43 -17.171 -3.788 0.602 1.00 2.04 C ATOM 487 CE LYS A 43 -17.302 -3.682 -0.911 1.00 2.80 C ATOM 488 NZ LYS A 43 -17.212 -2.274 -1.384 1.00 3.38 N ATOM 0 H LYS A 43 -13.321 -2.657 -0.450 1.00 0.49 H new ATOM 0 HA LYS A 43 -13.320 -3.733 2.253 1.00 0.54 H new ATOM 0 HB2 LYS A 43 -14.731 -4.553 -0.319 1.00 0.66 H new ATOM 0 HB3 LYS A 43 -14.982 -5.318 1.237 1.00 0.66 H new ATOM 0 HG2 LYS A 43 -15.827 -3.187 2.166 1.00 1.47 H new ATOM 0 HG3 LYS A 43 -15.540 -2.392 0.631 1.00 1.47 H new ATOM 0 HD2 LYS A 43 -17.351 -4.818 0.910 1.00 2.04 H new ATOM 0 HD3 LYS A 43 -17.937 -3.175 1.076 1.00 2.04 H new ATOM 0 HE2 LYS A 43 -16.519 -4.274 -1.384 1.00 2.80 H new ATOM 0 HE3 LYS A 43 -18.256 -4.108 -1.223 1.00 2.80 H new ATOM 0 HZ1 LYS A 43 -17.570 -2.212 -2.359 1.00 3.38 H new ATOM 0 HZ2 LYS A 43 -17.783 -1.663 -0.766 1.00 3.38 H new ATOM 0 HZ3 LYS A 43 -16.220 -1.962 -1.359 1.00 3.38 H new ATOM 502 N GLU A 44 -11.780 -5.135 -0.269 1.00 0.38 N ATOM 503 CA GLU A 44 -10.907 -6.232 -0.677 1.00 0.40 C ATOM 504 C GLU A 44 -9.461 -5.988 -0.266 1.00 0.35 C ATOM 505 O GLU A 44 -8.596 -6.830 -0.506 1.00 0.37 O ATOM 506 CB GLU A 44 -10.962 -6.419 -2.193 1.00 0.53 C ATOM 507 CG GLU A 44 -12.349 -6.704 -2.730 1.00 0.98 C ATOM 508 CD GLU A 44 -12.371 -6.847 -4.237 1.00 1.37 C ATOM 509 OE1 GLU A 44 -11.842 -7.854 -4.752 1.00 1.96 O ATOM 510 OE2 GLU A 44 -12.932 -5.960 -4.914 1.00 1.87 O ATOM 0 H GLU A 44 -11.904 -4.410 -0.976 1.00 0.38 H new ATOM 0 HA GLU A 44 -11.266 -7.130 -0.174 1.00 0.40 H new ATOM 0 HB2 GLU A 44 -10.575 -5.520 -2.674 1.00 0.53 H new ATOM 0 HB3 GLU A 44 -10.300 -7.239 -2.472 1.00 0.53 H new ATOM 0 HG2 GLU A 44 -12.729 -7.619 -2.276 1.00 0.98 H new ATOM 0 HG3 GLU A 44 -13.022 -5.898 -2.435 1.00 0.98 H new ATOM 517 N CYS A 45 -9.195 -4.843 0.345 1.00 0.32 N ATOM 518 CA CYS A 45 -7.823 -4.445 0.629 1.00 0.31 C ATOM 519 C CYS A 45 -7.216 -5.299 1.734 1.00 0.33 C ATOM 520 O CYS A 45 -7.563 -5.162 2.909 1.00 0.55 O ATOM 521 CB CYS A 45 -7.753 -2.963 1.003 1.00 0.38 C ATOM 522 SG CYS A 45 -6.057 -2.315 1.171 1.00 0.62 S ATOM 0 H CYS A 45 -9.904 -4.177 0.652 1.00 0.32 H new ATOM 0 HA CYS A 45 -7.240 -4.603 -0.279 1.00 0.31 H new ATOM 0 HB2 CYS A 45 -8.278 -2.383 0.244 1.00 0.38 H new ATOM 0 HB3 CYS A 45 -8.283 -2.812 1.943 1.00 0.38 H new ATOM 527 N SER A 46 -6.320 -6.188 1.337 1.00 0.25 N ATOM 528 CA SER A 46 -5.629 -7.059 2.269 1.00 0.27 C ATOM 529 C SER A 46 -4.357 -6.394 2.775 1.00 0.26 C ATOM 530 O SER A 46 -3.876 -6.684 3.871 1.00 0.35 O ATOM 531 CB SER A 46 -5.290 -8.378 1.574 1.00 0.30 C ATOM 532 OG SER A 46 -4.653 -8.143 0.322 1.00 1.28 O ATOM 0 H SER A 46 -6.053 -6.325 0.362 1.00 0.25 H new ATOM 0 HA SER A 46 -6.278 -7.254 3.123 1.00 0.27 H new ATOM 0 HB2 SER A 46 -4.637 -8.973 2.213 1.00 0.30 H new ATOM 0 HB3 SER A 46 -6.200 -8.957 1.420 1.00 0.30 H new ATOM 0 HG SER A 46 -4.659 -8.967 -0.208 1.00 1.28 H new ATOM 538 N HIS A 47 -3.827 -5.487 1.966 1.00 0.21 N ATOM 539 CA HIS A 47 -2.569 -4.831 2.264 1.00 0.20 C ATOM 540 C HIS A 47 -2.411 -3.609 1.374 1.00 0.18 C ATOM 541 O HIS A 47 -3.150 -3.442 0.407 1.00 0.22 O ATOM 542 CB HIS A 47 -1.395 -5.795 2.040 1.00 0.22 C ATOM 543 CG HIS A 47 -1.155 -6.126 0.598 1.00 0.22 C ATOM 544 ND1 HIS A 47 -2.049 -6.830 -0.179 1.00 0.26 N ATOM 545 CD2 HIS A 47 -0.127 -5.800 -0.216 1.00 0.30 C ATOM 546 CE1 HIS A 47 -1.580 -6.920 -1.407 1.00 0.29 C ATOM 547 NE2 HIS A 47 -0.412 -6.305 -1.457 1.00 0.32 N ATOM 0 H HIS A 47 -4.257 -5.189 1.090 1.00 0.21 H new ATOM 0 HA HIS A 47 -2.570 -4.523 3.309 1.00 0.20 H new ATOM 0 HB2 HIS A 47 -0.490 -5.355 2.458 1.00 0.22 H new ATOM 0 HB3 HIS A 47 -1.584 -6.718 2.589 1.00 0.22 H new ATOM 0 HD1 HIS A 47 -2.934 -7.220 0.145 1.00 0.26 H new ATOM 0 HD2 HIS A 47 0.756 -5.244 0.061 1.00 0.30 H new ATOM 0 HE1 HIS A 47 -2.069 -7.414 -2.234 1.00 0.29 H new ATOM 556 N TYR A 48 -1.444 -2.775 1.682 1.00 0.15 N ATOM 557 CA TYR A 48 -1.207 -1.585 0.890 1.00 0.14 C ATOM 558 C TYR A 48 0.278 -1.309 0.770 1.00 0.13 C ATOM 559 O TYR A 48 1.056 -1.626 1.667 1.00 0.17 O ATOM 560 CB TYR A 48 -1.923 -0.377 1.509 1.00 0.16 C ATOM 561 CG TYR A 48 -1.589 -0.137 2.971 1.00 0.20 C ATOM 562 CD1 TYR A 48 -0.473 0.608 3.326 1.00 0.28 C ATOM 563 CD2 TYR A 48 -2.380 -0.656 3.992 1.00 0.26 C ATOM 564 CE1 TYR A 48 -0.154 0.831 4.649 1.00 0.36 C ATOM 565 CE2 TYR A 48 -2.067 -0.434 5.321 1.00 0.34 C ATOM 566 CZ TYR A 48 -0.998 0.295 5.655 1.00 0.40 C ATOM 567 OH TYR A 48 -0.630 0.526 6.960 1.00 0.47 O ATOM 0 H TYR A 48 -0.810 -2.896 2.472 1.00 0.15 H new ATOM 0 HA TYR A 48 -1.609 -1.755 -0.109 1.00 0.14 H new ATOM 0 HB2 TYR A 48 -1.666 0.515 0.938 1.00 0.16 H new ATOM 0 HB3 TYR A 48 -2.999 -0.518 1.412 1.00 0.16 H new ATOM 0 HD1 TYR A 48 0.157 1.021 2.552 1.00 0.28 H new ATOM 0 HD2 TYR A 48 -3.252 -1.242 3.742 1.00 0.26 H new ATOM 0 HE1 TYR A 48 0.723 1.403 4.914 1.00 0.36 H new ATOM 0 HE2 TYR A 48 -2.692 -0.854 6.095 1.00 0.34 H new ATOM 0 HH TYR A 48 -0.858 -0.254 7.507 1.00 0.47 H new ATOM 577 N THR A 49 0.654 -0.737 -0.355 1.00 0.13 N ATOM 578 CA THR A 49 2.018 -0.321 -0.589 1.00 0.13 C ATOM 579 C THR A 49 2.077 1.194 -0.646 1.00 0.12 C ATOM 580 O THR A 49 1.601 1.807 -1.593 1.00 0.18 O ATOM 581 CB THR A 49 2.565 -0.920 -1.901 1.00 0.15 C ATOM 582 OG1 THR A 49 2.655 -2.347 -1.782 1.00 0.17 O ATOM 583 CG2 THR A 49 3.931 -0.343 -2.250 1.00 0.16 C ATOM 0 H THR A 49 0.021 -0.548 -1.132 1.00 0.13 H new ATOM 0 HA THR A 49 2.639 -0.685 0.230 1.00 0.13 H new ATOM 0 HB THR A 49 1.875 -0.661 -2.704 1.00 0.15 H new ATOM 0 HG1 THR A 49 3.303 -2.577 -1.083 1.00 0.17 H new ATOM 0 HG21 THR A 49 4.287 -0.787 -3.180 1.00 0.16 H new ATOM 0 HG22 THR A 49 3.849 0.737 -2.371 1.00 0.16 H new ATOM 0 HG23 THR A 49 4.636 -0.566 -1.449 1.00 0.16 H new ATOM 591 N TYR A 50 2.617 1.801 0.382 1.00 0.17 N ATOM 592 CA TYR A 50 2.737 3.240 0.408 1.00 0.16 C ATOM 593 C TYR A 50 4.160 3.650 0.077 1.00 0.14 C ATOM 594 O TYR A 50 5.089 3.401 0.849 1.00 0.16 O ATOM 595 CB TYR A 50 2.310 3.791 1.766 1.00 0.20 C ATOM 596 CG TYR A 50 2.580 5.266 1.937 1.00 0.19 C ATOM 597 CD1 TYR A 50 1.873 6.212 1.204 1.00 0.20 C ATOM 598 CD2 TYR A 50 3.516 5.713 2.854 1.00 0.20 C ATOM 599 CE1 TYR A 50 2.094 7.560 1.386 1.00 0.23 C ATOM 600 CE2 TYR A 50 3.748 7.058 3.036 1.00 0.23 C ATOM 601 CZ TYR A 50 3.116 7.977 2.199 1.00 0.25 C ATOM 602 OH TYR A 50 3.255 9.326 2.492 1.00 0.28 O ATOM 0 H TYR A 50 2.979 1.325 1.208 1.00 0.17 H new ATOM 0 HA TYR A 50 2.073 3.662 -0.347 1.00 0.16 H new ATOM 0 HB2 TYR A 50 1.244 3.608 1.903 1.00 0.20 H new ATOM 0 HB3 TYR A 50 2.831 3.242 2.550 1.00 0.20 H new ATOM 0 HD1 TYR A 50 1.140 5.886 0.481 1.00 0.20 H new ATOM 0 HD2 TYR A 50 4.074 4.995 3.436 1.00 0.20 H new ATOM 0 HE1 TYR A 50 1.465 8.285 0.890 1.00 0.23 H new ATOM 0 HE2 TYR A 50 4.412 7.397 3.818 1.00 0.23 H new ATOM 0 HH TYR A 50 2.474 9.815 2.158 1.00 0.28 H new ATOM 612 N ASN A 51 4.325 4.264 -1.079 1.00 0.16 N ATOM 613 CA ASN A 51 5.626 4.728 -1.517 1.00 0.20 C ATOM 614 C ASN A 51 5.894 6.100 -0.926 1.00 0.19 C ATOM 615 O ASN A 51 5.390 7.105 -1.422 1.00 0.22 O ATOM 616 CB ASN A 51 5.692 4.788 -3.044 1.00 0.27 C ATOM 617 CG ASN A 51 7.096 5.060 -3.549 1.00 0.34 C ATOM 618 OD1 ASN A 51 7.502 6.211 -3.713 1.00 0.44 O ATOM 619 ND2 ASN A 51 7.846 4.001 -3.797 1.00 0.62 N ATOM 0 H ASN A 51 3.568 4.454 -1.735 1.00 0.16 H new ATOM 0 HA ASN A 51 6.388 4.028 -1.173 1.00 0.20 H new ATOM 0 HB2 ASN A 51 5.336 3.845 -3.458 1.00 0.27 H new ATOM 0 HB3 ASN A 51 5.021 5.568 -3.404 1.00 0.27 H new ATOM 0 HD21 ASN A 51 8.800 4.120 -4.138 1.00 0.62 H new ATOM 0 HD22 ASN A 51 7.471 3.064 -3.648 1.00 0.62 H new ATOM 626 N VAL A 52 6.681 6.134 0.138 1.00 0.18 N ATOM 627 CA VAL A 52 6.933 7.370 0.869 1.00 0.22 C ATOM 628 C VAL A 52 7.693 8.379 0.013 1.00 0.31 C ATOM 629 O VAL A 52 7.562 9.587 0.206 1.00 0.44 O ATOM 630 CB VAL A 52 7.719 7.111 2.172 1.00 0.27 C ATOM 631 CG1 VAL A 52 7.008 6.095 3.034 1.00 0.91 C ATOM 632 CG2 VAL A 52 9.120 6.634 1.877 1.00 1.04 C ATOM 0 H VAL A 52 7.159 5.317 0.517 1.00 0.18 H new ATOM 0 HA VAL A 52 5.958 7.784 1.124 1.00 0.22 H new ATOM 0 HB VAL A 52 7.778 8.056 2.712 1.00 0.27 H new ATOM 0 HG11 VAL A 52 7.580 5.928 3.947 1.00 0.91 H new ATOM 0 HG12 VAL A 52 6.016 6.466 3.290 1.00 0.91 H new ATOM 0 HG13 VAL A 52 6.914 5.156 2.488 1.00 0.91 H new ATOM 0 HG21 VAL A 52 9.650 6.460 2.814 1.00 1.04 H new ATOM 0 HG22 VAL A 52 9.076 5.706 1.307 1.00 1.04 H new ATOM 0 HG23 VAL A 52 9.648 7.391 1.297 1.00 1.04 H new ATOM 642 N LYS A 53 8.469 7.875 -0.943 1.00 0.33 N ATOM 643 CA LYS A 53 9.271 8.726 -1.813 1.00 0.45 C ATOM 644 C LYS A 53 8.388 9.612 -2.687 1.00 0.44 C ATOM 645 O LYS A 53 8.528 10.835 -2.686 1.00 0.59 O ATOM 646 CB LYS A 53 10.207 7.881 -2.683 1.00 0.58 C ATOM 647 CG LYS A 53 11.637 7.805 -2.165 1.00 1.03 C ATOM 648 CD LYS A 53 11.732 7.076 -0.835 1.00 1.31 C ATOM 649 CE LYS A 53 13.171 6.997 -0.342 1.00 1.33 C ATOM 650 NZ LYS A 53 14.049 6.232 -1.270 1.00 1.68 N ATOM 0 H LYS A 53 8.558 6.877 -1.134 1.00 0.33 H new ATOM 0 HA LYS A 53 9.876 9.374 -1.178 1.00 0.45 H new ATOM 0 HB2 LYS A 53 9.804 6.871 -2.756 1.00 0.58 H new ATOM 0 HB3 LYS A 53 10.219 8.293 -3.692 1.00 0.58 H new ATOM 0 HG2 LYS A 53 12.261 7.297 -2.900 1.00 1.03 H new ATOM 0 HG3 LYS A 53 12.034 8.814 -2.053 1.00 1.03 H new ATOM 0 HD2 LYS A 53 11.120 7.589 -0.093 1.00 1.31 H new ATOM 0 HD3 LYS A 53 11.327 6.070 -0.941 1.00 1.31 H new ATOM 0 HE2 LYS A 53 13.566 8.006 -0.221 1.00 1.33 H new ATOM 0 HE3 LYS A 53 13.190 6.527 0.641 1.00 1.33 H new ATOM 0 HZ1 LYS A 53 14.969 6.061 -0.816 1.00 1.68 H new ATOM 0 HZ2 LYS A 53 13.602 5.322 -1.500 1.00 1.68 H new ATOM 0 HZ3 LYS A 53 14.191 6.778 -2.143 1.00 1.68 H new ATOM 664 N SER A 54 7.472 8.998 -3.423 1.00 0.34 N ATOM 665 CA SER A 54 6.562 9.745 -4.279 1.00 0.36 C ATOM 666 C SER A 54 5.320 10.187 -3.505 1.00 0.33 C ATOM 667 O SER A 54 4.501 10.962 -4.004 1.00 0.43 O ATOM 668 CB SER A 54 6.156 8.894 -5.482 1.00 0.40 C ATOM 669 OG SER A 54 7.300 8.416 -6.173 1.00 0.94 O ATOM 0 H SER A 54 7.340 7.987 -3.444 1.00 0.34 H new ATOM 0 HA SER A 54 7.080 10.638 -4.630 1.00 0.36 H new ATOM 0 HB2 SER A 54 5.549 8.052 -5.149 1.00 0.40 H new ATOM 0 HB3 SER A 54 5.538 9.484 -6.158 1.00 0.40 H new ATOM 0 HG SER A 54 7.017 7.873 -6.938 1.00 0.94 H new ATOM 675 N GLY A 55 5.188 9.684 -2.282 1.00 0.26 N ATOM 676 CA GLY A 55 4.050 10.024 -1.448 1.00 0.24 C ATOM 677 C GLY A 55 2.777 9.359 -1.926 1.00 0.20 C ATOM 678 O GLY A 55 1.678 9.814 -1.623 1.00 0.27 O ATOM 0 H GLY A 55 5.854 9.043 -1.851 1.00 0.26 H new ATOM 0 HA2 GLY A 55 4.252 9.724 -0.420 1.00 0.24 H new ATOM 0 HA3 GLY A 55 3.914 11.106 -1.443 1.00 0.24 H new ATOM 682 N LEU A 56 2.929 8.270 -2.662 1.00 0.22 N ATOM 683 CA LEU A 56 1.795 7.598 -3.279 1.00 0.19 C ATOM 684 C LEU A 56 1.308 6.442 -2.428 1.00 0.15 C ATOM 685 O LEU A 56 2.105 5.714 -1.840 1.00 0.14 O ATOM 686 CB LEU A 56 2.168 7.082 -4.669 1.00 0.22 C ATOM 687 CG LEU A 56 2.469 8.163 -5.706 1.00 0.33 C ATOM 688 CD1 LEU A 56 2.896 7.535 -7.022 1.00 0.40 C ATOM 689 CD2 LEU A 56 1.252 9.050 -5.908 1.00 0.37 C ATOM 0 H LEU A 56 3.830 7.830 -2.848 1.00 0.22 H new ATOM 0 HA LEU A 56 0.991 8.329 -3.366 1.00 0.19 H new ATOM 0 HB2 LEU A 56 3.041 6.436 -4.577 1.00 0.22 H new ATOM 0 HB3 LEU A 56 1.351 6.463 -5.040 1.00 0.22 H new ATOM 0 HG LEU A 56 3.290 8.778 -5.339 1.00 0.33 H new ATOM 0 HD11 LEU A 56 3.106 8.320 -7.748 1.00 0.40 H new ATOM 0 HD12 LEU A 56 3.793 6.936 -6.865 1.00 0.40 H new ATOM 0 HD13 LEU A 56 2.095 6.898 -7.398 1.00 0.40 H new ATOM 0 HD21 LEU A 56 1.479 9.816 -6.649 1.00 0.37 H new ATOM 0 HD22 LEU A 56 0.415 8.445 -6.256 1.00 0.37 H new ATOM 0 HD23 LEU A 56 0.988 9.526 -4.964 1.00 0.37 H new ATOM 701 N CYS A 57 0.001 6.267 -2.383 1.00 0.14 N ATOM 702 CA CYS A 57 -0.592 5.165 -1.656 1.00 0.13 C ATOM 703 C CYS A 57 -1.162 4.144 -2.624 1.00 0.11 C ATOM 704 O CYS A 57 -1.902 4.494 -3.544 1.00 0.13 O ATOM 705 CB CYS A 57 -1.698 5.650 -0.727 1.00 0.17 C ATOM 706 SG CYS A 57 -2.665 4.294 0.006 1.00 0.20 S ATOM 0 H CYS A 57 -0.672 6.879 -2.845 1.00 0.14 H new ATOM 0 HA CYS A 57 0.192 4.704 -1.055 1.00 0.13 H new ATOM 0 HB2 CYS A 57 -1.257 6.246 0.072 1.00 0.17 H new ATOM 0 HB3 CYS A 57 -2.368 6.307 -1.282 1.00 0.17 H new ATOM 711 N TYR A 58 -0.809 2.889 -2.422 1.00 0.11 N ATOM 712 CA TYR A 58 -1.316 1.814 -3.251 1.00 0.13 C ATOM 713 C TYR A 58 -2.152 0.841 -2.426 1.00 0.13 C ATOM 714 O TYR A 58 -1.623 -0.136 -1.895 1.00 0.12 O ATOM 715 CB TYR A 58 -0.170 1.042 -3.898 1.00 0.15 C ATOM 716 CG TYR A 58 0.688 1.842 -4.849 1.00 0.17 C ATOM 717 CD1 TYR A 58 1.752 2.590 -4.379 1.00 0.18 C ATOM 718 CD2 TYR A 58 0.418 1.867 -6.210 1.00 0.21 C ATOM 719 CE1 TYR A 58 2.532 3.336 -5.235 1.00 0.21 C ATOM 720 CE2 TYR A 58 1.188 2.611 -7.075 1.00 0.24 C ATOM 721 CZ TYR A 58 2.282 3.277 -6.610 1.00 0.24 C ATOM 722 OH TYR A 58 3.015 4.099 -7.445 1.00 0.28 O ATOM 0 H TYR A 58 -0.169 2.588 -1.686 1.00 0.11 H new ATOM 0 HA TYR A 58 -1.937 2.266 -4.025 1.00 0.13 H new ATOM 0 HB2 TYR A 58 0.467 0.640 -3.110 1.00 0.15 H new ATOM 0 HB3 TYR A 58 -0.585 0.191 -4.437 1.00 0.15 H new ATOM 0 HD1 TYR A 58 1.975 2.589 -3.322 1.00 0.18 H new ATOM 0 HD2 TYR A 58 -0.411 1.293 -6.597 1.00 0.21 H new ATOM 0 HE1 TYR A 58 3.326 3.958 -4.850 1.00 0.21 H new ATOM 0 HE2 TYR A 58 0.925 2.667 -8.121 1.00 0.24 H new ATOM 0 HH TYR A 58 2.738 3.953 -8.374 1.00 0.28 H new ATOM 732 N PRO A 59 -3.458 1.094 -2.293 1.00 0.15 N ATOM 733 CA PRO A 59 -4.380 0.154 -1.660 1.00 0.16 C ATOM 734 C PRO A 59 -4.563 -1.062 -2.556 1.00 0.15 C ATOM 735 O PRO A 59 -5.033 -0.934 -3.688 1.00 0.16 O ATOM 736 CB PRO A 59 -5.691 0.950 -1.538 1.00 0.20 C ATOM 737 CG PRO A 59 -5.309 2.368 -1.798 1.00 0.32 C ATOM 738 CD PRO A 59 -4.150 2.302 -2.744 1.00 0.20 C ATOM 0 HA PRO A 59 -4.031 -0.216 -0.696 1.00 0.16 H new ATOM 0 HB2 PRO A 59 -6.432 0.603 -2.258 1.00 0.20 H new ATOM 0 HB3 PRO A 59 -6.131 0.835 -0.547 1.00 0.20 H new ATOM 0 HG2 PRO A 59 -6.139 2.925 -2.232 1.00 0.32 H new ATOM 0 HG3 PRO A 59 -5.033 2.876 -0.874 1.00 0.32 H new ATOM 0 HD2 PRO A 59 -4.474 2.223 -3.782 1.00 0.20 H new ATOM 0 HD3 PRO A 59 -3.516 3.186 -2.674 1.00 0.20 H new ATOM 746 N LYS A 60 -4.172 -2.232 -2.074 1.00 0.14 N ATOM 747 CA LYS A 60 -4.102 -3.405 -2.932 1.00 0.14 C ATOM 748 C LYS A 60 -4.904 -4.572 -2.376 1.00 0.13 C ATOM 749 O LYS A 60 -4.958 -4.801 -1.167 1.00 0.14 O ATOM 750 CB LYS A 60 -2.641 -3.784 -3.157 1.00 0.16 C ATOM 751 CG LYS A 60 -1.868 -2.660 -3.820 1.00 0.20 C ATOM 752 CD LYS A 60 -0.440 -3.039 -4.152 1.00 0.29 C ATOM 753 CE LYS A 60 0.192 -1.962 -5.017 1.00 0.39 C ATOM 754 NZ LYS A 60 1.263 -2.474 -5.899 1.00 0.82 N ATOM 0 H LYS A 60 -3.901 -2.394 -1.104 1.00 0.14 H new ATOM 0 HA LYS A 60 -4.556 -3.156 -3.891 1.00 0.14 H new ATOM 0 HB2 LYS A 60 -2.177 -4.031 -2.202 1.00 0.16 H new ATOM 0 HB3 LYS A 60 -2.588 -4.678 -3.778 1.00 0.16 H new ATOM 0 HG2 LYS A 60 -2.381 -2.364 -4.735 1.00 0.20 H new ATOM 0 HG3 LYS A 60 -1.864 -1.792 -3.161 1.00 0.20 H new ATOM 0 HD2 LYS A 60 0.135 -3.165 -3.235 1.00 0.29 H new ATOM 0 HD3 LYS A 60 -0.420 -3.996 -4.674 1.00 0.29 H new ATOM 0 HE2 LYS A 60 -0.581 -1.497 -5.628 1.00 0.39 H new ATOM 0 HE3 LYS A 60 0.602 -1.183 -4.374 1.00 0.39 H new ATOM 0 HZ1 LYS A 60 1.653 -1.691 -6.462 1.00 0.82 H new ATOM 0 HZ2 LYS A 60 2.018 -2.894 -5.320 1.00 0.82 H new ATOM 0 HZ3 LYS A 60 0.872 -3.197 -6.536 1.00 0.82 H new ATOM 768 N ARG A 61 -5.532 -5.305 -3.278 1.00 0.15 N ATOM 769 CA ARG A 61 -6.436 -6.372 -2.896 1.00 0.17 C ATOM 770 C ARG A 61 -5.949 -7.723 -3.382 1.00 0.17 C ATOM 771 O ARG A 61 -5.112 -7.812 -4.282 1.00 0.22 O ATOM 772 CB ARG A 61 -7.845 -6.082 -3.425 1.00 0.28 C ATOM 773 CG ARG A 61 -7.911 -5.675 -4.890 1.00 0.39 C ATOM 774 CD ARG A 61 -7.975 -6.867 -5.820 1.00 0.70 C ATOM 775 NE ARG A 61 -7.954 -6.454 -7.221 1.00 0.64 N ATOM 776 CZ ARG A 61 -7.143 -6.969 -8.142 1.00 1.22 C ATOM 777 NH1 ARG A 61 -6.289 -7.935 -7.823 1.00 2.00 N ATOM 778 NH2 ARG A 61 -7.183 -6.514 -9.385 1.00 1.20 N ATOM 0 H ARG A 61 -5.431 -5.179 -4.285 1.00 0.15 H new ATOM 0 HA ARG A 61 -6.466 -6.412 -1.807 1.00 0.17 H new ATOM 0 HB2 ARG A 61 -8.460 -6.970 -3.282 1.00 0.28 H new ATOM 0 HB3 ARG A 61 -8.287 -5.288 -2.823 1.00 0.28 H new ATOM 0 HG2 ARG A 61 -8.787 -5.046 -5.050 1.00 0.39 H new ATOM 0 HG3 ARG A 61 -7.037 -5.073 -5.136 1.00 0.39 H new ATOM 0 HD2 ARG A 61 -7.133 -7.530 -5.622 1.00 0.70 H new ATOM 0 HD3 ARG A 61 -8.883 -7.437 -5.621 1.00 0.70 H new ATOM 0 HE ARG A 61 -8.603 -5.723 -7.512 1.00 0.64 H new ATOM 0 HH11 ARG A 61 -6.252 -8.287 -6.866 1.00 2.00 H new ATOM 0 HH12 ARG A 61 -5.671 -8.325 -8.535 1.00 2.00 H new ATOM 0 HH21 ARG A 61 -7.835 -5.770 -9.635 1.00 1.20 H new ATOM 0 HH22 ARG A 61 -6.562 -6.907 -10.092 1.00 1.20 H new ATOM 792 N GLY A 62 -6.483 -8.765 -2.776 1.00 0.22 N ATOM 793 CA GLY A 62 -6.136 -10.118 -3.164 1.00 0.30 C ATOM 794 C GLY A 62 -4.821 -10.582 -2.570 1.00 0.29 C ATOM 795 O GLY A 62 -4.524 -10.311 -1.403 1.00 0.37 O ATOM 0 H GLY A 62 -7.158 -8.701 -2.014 1.00 0.22 H new ATOM 0 HA2 GLY A 62 -6.930 -10.796 -2.850 1.00 0.30 H new ATOM 0 HA3 GLY A 62 -6.079 -10.176 -4.251 1.00 0.30 H new ATOM 799 N LYS A 63 -4.029 -11.278 -3.374 1.00 0.39 N ATOM 800 CA LYS A 63 -2.761 -11.827 -2.916 1.00 0.48 C ATOM 801 C LYS A 63 -1.602 -10.930 -3.323 1.00 0.40 C ATOM 802 O LYS A 63 -1.582 -10.383 -4.428 1.00 0.49 O ATOM 803 CB LYS A 63 -2.561 -13.235 -3.468 1.00 0.71 C ATOM 804 CG LYS A 63 -3.597 -14.223 -2.968 1.00 1.73 C ATOM 805 CD LYS A 63 -3.421 -15.591 -3.599 1.00 2.07 C ATOM 806 CE LYS A 63 -4.537 -16.536 -3.188 1.00 2.93 C ATOM 807 NZ LYS A 63 -5.873 -16.029 -3.605 1.00 3.72 N ATOM 0 H LYS A 63 -4.244 -11.476 -4.351 1.00 0.39 H new ATOM 0 HA LYS A 63 -2.786 -11.878 -1.827 1.00 0.48 H new ATOM 0 HB2 LYS A 63 -2.597 -13.200 -4.557 1.00 0.71 H new ATOM 0 HB3 LYS A 63 -1.568 -13.589 -3.193 1.00 0.71 H new ATOM 0 HG2 LYS A 63 -3.523 -14.310 -1.884 1.00 1.73 H new ATOM 0 HG3 LYS A 63 -4.595 -13.846 -3.190 1.00 1.73 H new ATOM 0 HD2 LYS A 63 -3.405 -15.494 -4.685 1.00 2.07 H new ATOM 0 HD3 LYS A 63 -2.459 -16.010 -3.302 1.00 2.07 H new ATOM 0 HE2 LYS A 63 -4.365 -17.516 -3.633 1.00 2.93 H new ATOM 0 HE3 LYS A 63 -4.520 -16.669 -2.106 1.00 2.93 H new ATOM 0 HZ1 LYS A 63 -6.561 -16.809 -3.590 1.00 3.72 H new ATOM 0 HZ2 LYS A 63 -6.181 -15.283 -2.949 1.00 3.72 H new ATOM 0 HZ3 LYS A 63 -5.812 -15.640 -4.568 1.00 3.72 H new ATOM 821 N PRO A 64 -0.627 -10.757 -2.424 1.00 0.41 N ATOM 822 CA PRO A 64 0.502 -9.867 -2.636 1.00 0.38 C ATOM 823 C PRO A 64 1.738 -10.548 -3.220 1.00 0.35 C ATOM 824 O PRO A 64 1.923 -11.762 -3.119 1.00 0.44 O ATOM 825 CB PRO A 64 0.793 -9.427 -1.213 1.00 0.53 C ATOM 826 CG PRO A 64 0.623 -10.689 -0.451 1.00 0.62 C ATOM 827 CD PRO A 64 -0.554 -11.391 -1.092 1.00 0.59 C ATOM 0 HA PRO A 64 0.272 -9.080 -3.354 1.00 0.38 H new ATOM 0 HB2 PRO A 64 1.800 -9.022 -1.110 1.00 0.53 H new ATOM 0 HB3 PRO A 64 0.103 -8.653 -0.877 1.00 0.53 H new ATOM 0 HG2 PRO A 64 1.522 -11.303 -0.503 1.00 0.62 H new ATOM 0 HG3 PRO A 64 0.434 -10.489 0.604 1.00 0.62 H new ATOM 0 HD2 PRO A 64 -0.393 -12.467 -1.164 1.00 0.59 H new ATOM 0 HD3 PRO A 64 -1.472 -11.244 -0.523 1.00 0.59 H new ATOM 835 N GLN A 65 2.573 -9.728 -3.818 1.00 0.36 N ATOM 836 CA GLN A 65 3.896 -10.118 -4.280 1.00 0.32 C ATOM 837 C GLN A 65 4.853 -9.037 -3.824 1.00 0.31 C ATOM 838 O GLN A 65 4.544 -7.864 -3.985 1.00 0.41 O ATOM 839 CB GLN A 65 3.928 -10.235 -5.802 1.00 0.40 C ATOM 840 CG GLN A 65 2.935 -11.240 -6.355 1.00 0.38 C ATOM 841 CD GLN A 65 3.367 -12.679 -6.155 1.00 1.23 C ATOM 842 OE1 GLN A 65 4.064 -13.010 -5.199 1.00 1.79 O ATOM 843 NE2 GLN A 65 2.953 -13.548 -7.060 1.00 1.95 N ATOM 0 H GLN A 65 2.351 -8.750 -4.003 1.00 0.36 H new ATOM 0 HA GLN A 65 4.172 -11.091 -3.874 1.00 0.32 H new ATOM 0 HB2 GLN A 65 3.723 -9.257 -6.238 1.00 0.40 H new ATOM 0 HB3 GLN A 65 4.933 -10.519 -6.115 1.00 0.40 H new ATOM 0 HG2 GLN A 65 1.968 -11.088 -5.875 1.00 0.38 H new ATOM 0 HG3 GLN A 65 2.795 -11.054 -7.420 1.00 0.38 H new ATOM 0 HE21 GLN A 65 2.375 -13.235 -7.840 1.00 1.95 H new ATOM 0 HE22 GLN A 65 3.211 -14.531 -6.978 1.00 1.95 H new ATOM 852 N PHE A 66 5.978 -9.398 -3.237 1.00 0.32 N ATOM 853 CA PHE A 66 6.851 -8.390 -2.637 1.00 0.33 C ATOM 854 C PHE A 66 8.156 -8.231 -3.410 1.00 0.34 C ATOM 855 O PHE A 66 8.623 -9.163 -4.065 1.00 0.40 O ATOM 856 CB PHE A 66 7.152 -8.728 -1.174 1.00 0.40 C ATOM 857 CG PHE A 66 5.924 -8.951 -0.338 1.00 0.42 C ATOM 858 CD1 PHE A 66 5.117 -7.887 0.031 1.00 0.43 C ATOM 859 CD2 PHE A 66 5.581 -10.225 0.084 1.00 0.51 C ATOM 860 CE1 PHE A 66 3.990 -8.092 0.805 1.00 0.46 C ATOM 861 CE2 PHE A 66 4.456 -10.435 0.857 1.00 0.55 C ATOM 862 CZ PHE A 66 3.659 -9.367 1.218 1.00 0.50 C ATOM 0 H PHE A 66 6.310 -10.359 -3.160 1.00 0.32 H new ATOM 0 HA PHE A 66 6.315 -7.442 -2.682 1.00 0.33 H new ATOM 0 HB2 PHE A 66 7.772 -9.624 -1.138 1.00 0.40 H new ATOM 0 HB3 PHE A 66 7.736 -7.918 -0.736 1.00 0.40 H new ATOM 0 HD1 PHE A 66 5.371 -6.887 -0.289 1.00 0.43 H new ATOM 0 HD2 PHE A 66 6.201 -11.064 -0.195 1.00 0.51 H new ATOM 0 HE1 PHE A 66 3.369 -7.255 1.087 1.00 0.46 H new ATOM 0 HE2 PHE A 66 4.200 -11.434 1.179 1.00 0.55 H new ATOM 0 HZ PHE A 66 2.779 -9.529 1.822 1.00 0.50 H new ATOM 872 N TYR A 67 8.727 -7.034 -3.335 1.00 0.32 N ATOM 873 CA TYR A 67 10.017 -6.748 -3.948 1.00 0.34 C ATOM 874 C TYR A 67 10.855 -5.859 -3.035 1.00 0.32 C ATOM 875 O TYR A 67 10.355 -5.331 -2.041 1.00 0.42 O ATOM 876 CB TYR A 67 9.850 -6.105 -5.330 1.00 0.43 C ATOM 877 CG TYR A 67 8.965 -4.877 -5.375 1.00 0.47 C ATOM 878 CD1 TYR A 67 9.443 -3.655 -4.937 1.00 0.52 C ATOM 879 CD2 TYR A 67 7.652 -4.944 -5.821 1.00 0.53 C ATOM 880 CE1 TYR A 67 8.648 -2.532 -4.940 1.00 0.63 C ATOM 881 CE2 TYR A 67 6.847 -3.821 -5.834 1.00 0.61 C ATOM 882 CZ TYR A 67 7.332 -2.633 -5.521 1.00 0.65 C ATOM 883 OH TYR A 67 6.554 -1.493 -5.405 1.00 0.79 O ATOM 0 H TYR A 67 8.311 -6.239 -2.850 1.00 0.32 H new ATOM 0 HA TYR A 67 10.540 -7.694 -4.087 1.00 0.34 H new ATOM 0 HB2 TYR A 67 10.836 -5.835 -5.707 1.00 0.43 H new ATOM 0 HB3 TYR A 67 9.441 -6.851 -6.012 1.00 0.43 H new ATOM 0 HD1 TYR A 67 10.461 -3.581 -4.585 1.00 0.52 H new ATOM 0 HD2 TYR A 67 7.254 -5.888 -6.163 1.00 0.53 H new ATOM 0 HE1 TYR A 67 9.000 -1.601 -4.519 1.00 0.63 H new ATOM 0 HE2 TYR A 67 5.806 -3.916 -6.104 1.00 0.61 H new ATOM 0 HH TYR A 67 7.080 -0.779 -4.988 1.00 0.79 H new ATOM 893 N LYS A 68 12.127 -5.694 -3.381 1.00 0.39 N ATOM 894 CA LYS A 68 13.076 -5.006 -2.514 1.00 0.39 C ATOM 895 C LYS A 68 13.343 -3.581 -3.004 1.00 0.41 C ATOM 896 O LYS A 68 14.275 -3.348 -3.776 1.00 0.58 O ATOM 897 CB LYS A 68 14.393 -5.785 -2.470 1.00 0.50 C ATOM 898 CG LYS A 68 14.211 -7.280 -2.254 1.00 1.29 C ATOM 899 CD LYS A 68 14.645 -7.728 -0.866 1.00 1.36 C ATOM 900 CE LYS A 68 13.755 -7.154 0.224 1.00 0.92 C ATOM 901 NZ LYS A 68 14.091 -7.714 1.559 1.00 1.27 N ATOM 0 H LYS A 68 12.525 -6.028 -4.258 1.00 0.39 H new ATOM 0 HA LYS A 68 12.643 -4.950 -1.515 1.00 0.39 H new ATOM 0 HB2 LYS A 68 14.931 -5.624 -3.404 1.00 0.50 H new ATOM 0 HB3 LYS A 68 15.016 -5.384 -1.670 1.00 0.50 H new ATOM 0 HG2 LYS A 68 13.163 -7.540 -2.405 1.00 1.29 H new ATOM 0 HG3 LYS A 68 14.786 -7.824 -3.004 1.00 1.29 H new ATOM 0 HD2 LYS A 68 14.625 -8.817 -0.814 1.00 1.36 H new ATOM 0 HD3 LYS A 68 15.676 -7.420 -0.692 1.00 1.36 H new ATOM 0 HE2 LYS A 68 13.861 -6.069 0.247 1.00 0.92 H new ATOM 0 HE3 LYS A 68 12.712 -7.367 -0.008 1.00 0.92 H new ATOM 0 HZ1 LYS A 68 13.711 -7.093 2.302 1.00 1.27 H new ATOM 0 HZ2 LYS A 68 13.673 -8.662 1.653 1.00 1.27 H new ATOM 0 HZ3 LYS A 68 15.124 -7.780 1.658 1.00 1.27 H new ATOM 915 N TYR A 69 12.535 -2.633 -2.552 1.00 0.32 N ATOM 916 CA TYR A 69 12.695 -1.236 -2.943 1.00 0.42 C ATOM 917 C TYR A 69 12.629 -0.329 -1.719 1.00 0.40 C ATOM 918 O TYR A 69 11.650 -0.350 -0.974 1.00 0.60 O ATOM 919 CB TYR A 69 11.612 -0.838 -3.950 1.00 0.53 C ATOM 920 CG TYR A 69 11.765 0.564 -4.491 1.00 0.71 C ATOM 921 CD1 TYR A 69 12.527 0.813 -5.625 1.00 1.06 C ATOM 922 CD2 TYR A 69 11.153 1.641 -3.865 1.00 0.61 C ATOM 923 CE1 TYR A 69 12.675 2.091 -6.119 1.00 1.24 C ATOM 924 CE2 TYR A 69 11.296 2.923 -4.354 1.00 0.78 C ATOM 925 CZ TYR A 69 12.035 3.141 -5.491 1.00 1.08 C ATOM 926 OH TYR A 69 12.206 4.420 -5.969 1.00 1.27 O ATOM 0 H TYR A 69 11.759 -2.804 -1.912 1.00 0.32 H new ATOM 0 HA TYR A 69 13.672 -1.120 -3.412 1.00 0.42 H new ATOM 0 HB2 TYR A 69 11.627 -1.542 -4.782 1.00 0.53 H new ATOM 0 HB3 TYR A 69 10.636 -0.929 -3.474 1.00 0.53 H new ATOM 0 HD1 TYR A 69 13.012 -0.010 -6.129 1.00 1.06 H new ATOM 0 HD2 TYR A 69 10.555 1.473 -2.981 1.00 0.61 H new ATOM 0 HE1 TYR A 69 13.287 2.270 -6.991 1.00 1.24 H new ATOM 0 HE2 TYR A 69 10.828 3.753 -3.844 1.00 0.78 H new ATOM 0 HH TYR A 69 11.689 5.046 -5.420 1.00 1.27 H new ATOM 936 N LEU A 70 13.670 0.470 -1.516 1.00 0.53 N ATOM 937 CA LEU A 70 13.722 1.376 -0.377 1.00 0.52 C ATOM 938 C LEU A 70 12.843 2.596 -0.646 1.00 0.48 C ATOM 939 O LEU A 70 13.274 3.576 -1.259 1.00 0.75 O ATOM 940 CB LEU A 70 15.177 1.791 -0.095 1.00 0.71 C ATOM 941 CG LEU A 70 15.473 2.372 1.302 1.00 0.88 C ATOM 942 CD1 LEU A 70 14.904 3.774 1.461 1.00 1.34 C ATOM 943 CD2 LEU A 70 14.929 1.458 2.390 1.00 1.65 C ATOM 0 H LEU A 70 14.488 0.508 -2.125 1.00 0.53 H new ATOM 0 HA LEU A 70 13.340 0.867 0.508 1.00 0.52 H new ATOM 0 HB2 LEU A 70 15.814 0.919 -0.243 1.00 0.71 H new ATOM 0 HB3 LEU A 70 15.470 2.530 -0.840 1.00 0.71 H new ATOM 0 HG LEU A 70 16.556 2.438 1.404 1.00 0.88 H new ATOM 0 HD11 LEU A 70 15.133 4.149 2.458 1.00 1.34 H new ATOM 0 HD12 LEU A 70 15.347 4.433 0.715 1.00 1.34 H new ATOM 0 HD13 LEU A 70 13.823 3.746 1.324 1.00 1.34 H new ATOM 0 HD21 LEU A 70 15.148 1.886 3.368 1.00 1.65 H new ATOM 0 HD22 LEU A 70 13.850 1.355 2.273 1.00 1.65 H new ATOM 0 HD23 LEU A 70 15.398 0.477 2.310 1.00 1.65 H new ATOM 955 N GLY A 71 11.603 2.518 -0.196 1.00 0.40 N ATOM 956 CA GLY A 71 10.678 3.619 -0.364 1.00 0.49 C ATOM 957 C GLY A 71 9.242 3.161 -0.301 1.00 0.40 C ATOM 958 O GLY A 71 8.345 3.964 -0.056 1.00 0.43 O ATOM 0 H GLY A 71 11.217 1.706 0.286 1.00 0.40 H new ATOM 0 HA2 GLY A 71 10.856 4.364 0.411 1.00 0.49 H new ATOM 0 HA3 GLY A 71 10.862 4.105 -1.322 1.00 0.49 H new ATOM 962 N ASP A 72 9.021 1.870 -0.511 1.00 0.38 N ATOM 963 CA ASP A 72 7.683 1.312 -0.448 1.00 0.36 C ATOM 964 C ASP A 72 7.470 0.618 0.885 1.00 0.42 C ATOM 965 O ASP A 72 8.228 -0.279 1.254 1.00 0.70 O ATOM 966 CB ASP A 72 7.442 0.317 -1.587 1.00 0.47 C ATOM 967 CG ASP A 72 7.393 0.967 -2.957 1.00 1.16 C ATOM 968 OD1 ASP A 72 6.413 1.682 -3.252 1.00 1.80 O ATOM 969 OD2 ASP A 72 8.326 0.756 -3.755 1.00 1.61 O ATOM 0 H ASP A 72 9.753 1.193 -0.726 1.00 0.38 H new ATOM 0 HA ASP A 72 6.973 2.133 -0.551 1.00 0.36 H new ATOM 0 HB2 ASP A 72 8.233 -0.433 -1.577 1.00 0.47 H new ATOM 0 HB3 ASP A 72 6.503 -0.207 -1.408 1.00 0.47 H new ATOM 974 N MET A 73 6.455 1.050 1.615 1.00 0.26 N ATOM 975 CA MET A 73 6.088 0.400 2.860 1.00 0.28 C ATOM 976 C MET A 73 4.818 -0.400 2.624 1.00 0.22 C ATOM 977 O MET A 73 3.772 0.171 2.309 1.00 0.20 O ATOM 978 CB MET A 73 5.834 1.439 3.966 1.00 0.32 C ATOM 979 CG MET A 73 6.912 2.502 4.089 1.00 0.46 C ATOM 980 SD MET A 73 6.442 3.847 5.206 1.00 1.34 S ATOM 981 CE MET A 73 6.190 2.987 6.755 1.00 2.00 C ATOM 0 H MET A 73 5.871 1.848 1.366 1.00 0.26 H new ATOM 0 HA MET A 73 6.903 -0.250 3.180 1.00 0.28 H new ATOM 0 HB2 MET A 73 4.879 1.928 3.775 1.00 0.32 H new ATOM 0 HB3 MET A 73 5.742 0.920 4.920 1.00 0.32 H new ATOM 0 HG2 MET A 73 7.832 2.041 4.449 1.00 0.46 H new ATOM 0 HG3 MET A 73 7.126 2.913 3.102 1.00 0.46 H new ATOM 0 HE1 MET A 73 5.462 3.529 7.358 1.00 2.00 H new ATOM 0 HE2 MET A 73 5.820 1.981 6.557 1.00 2.00 H new ATOM 0 HE3 MET A 73 7.135 2.926 7.295 1.00 2.00 H new ATOM 991 N THR A 74 4.899 -1.709 2.764 1.00 0.23 N ATOM 992 CA THR A 74 3.742 -2.553 2.537 1.00 0.21 C ATOM 993 C THR A 74 3.239 -3.149 3.844 1.00 0.26 C ATOM 994 O THR A 74 3.844 -4.064 4.403 1.00 0.34 O ATOM 995 CB THR A 74 4.052 -3.672 1.520 1.00 0.23 C ATOM 996 OG1 THR A 74 4.502 -3.094 0.286 1.00 0.23 O ATOM 997 CG2 THR A 74 2.824 -4.530 1.253 1.00 0.29 C ATOM 0 H THR A 74 5.747 -2.208 3.032 1.00 0.23 H new ATOM 0 HA THR A 74 2.956 -1.925 2.118 1.00 0.21 H new ATOM 0 HB THR A 74 4.832 -4.305 1.943 1.00 0.23 H new ATOM 0 HG1 THR A 74 5.411 -2.746 0.400 1.00 0.23 H new ATOM 0 HG21 THR A 74 3.074 -5.309 0.533 1.00 0.29 H new ATOM 0 HG22 THR A 74 2.492 -4.989 2.184 1.00 0.29 H new ATOM 0 HG23 THR A 74 2.025 -3.907 0.851 1.00 0.29 H new ATOM 1005 N GLY A 75 2.129 -2.610 4.325 1.00 0.27 N ATOM 1006 CA GLY A 75 1.525 -3.103 5.542 1.00 0.32 C ATOM 1007 C GLY A 75 0.257 -3.878 5.254 1.00 0.24 C ATOM 1008 O GLY A 75 -0.496 -3.524 4.344 1.00 0.25 O ATOM 0 H GLY A 75 1.633 -1.833 3.888 1.00 0.27 H new ATOM 0 HA2 GLY A 75 2.233 -3.743 6.068 1.00 0.32 H new ATOM 0 HA3 GLY A 75 1.300 -2.266 6.203 1.00 0.32 H new ATOM 1012 N SER A 76 0.017 -4.932 6.018 1.00 0.38 N ATOM 1013 CA SER A 76 -1.152 -5.774 5.813 1.00 0.50 C ATOM 1014 C SER A 76 -2.393 -5.143 6.441 1.00 0.61 C ATOM 1015 O SER A 76 -2.811 -5.538 7.529 1.00 1.52 O ATOM 1016 CB SER A 76 -0.906 -7.163 6.401 1.00 0.73 C ATOM 1017 OG SER A 76 0.272 -7.742 5.861 1.00 1.40 O ATOM 0 H SER A 76 0.618 -5.226 6.788 1.00 0.38 H new ATOM 0 HA SER A 76 -1.326 -5.869 4.741 1.00 0.50 H new ATOM 0 HB2 SER A 76 -0.817 -7.092 7.485 1.00 0.73 H new ATOM 0 HB3 SER A 76 -1.761 -7.807 6.193 1.00 0.73 H new ATOM 0 HG SER A 76 0.410 -8.629 6.253 1.00 1.40 H new ATOM 1023 N ARG A 77 -2.942 -4.134 5.747 1.00 0.62 N ATOM 1024 CA ARG A 77 -4.161 -3.407 6.151 1.00 0.54 C ATOM 1025 C ARG A 77 -4.107 -2.939 7.609 1.00 0.64 C ATOM 1026 O ARG A 77 -5.134 -2.660 8.226 1.00 1.08 O ATOM 1027 CB ARG A 77 -5.435 -4.234 5.875 1.00 0.59 C ATOM 1028 CG ARG A 77 -5.568 -5.513 6.680 1.00 1.14 C ATOM 1029 CD ARG A 77 -6.725 -6.357 6.182 1.00 1.04 C ATOM 1030 NE ARG A 77 -8.025 -5.749 6.466 1.00 1.78 N ATOM 1031 CZ ARG A 77 -9.164 -6.116 5.876 1.00 2.04 C ATOM 1032 NH1 ARG A 77 -9.165 -7.063 4.944 1.00 1.93 N ATOM 1033 NH2 ARG A 77 -10.301 -5.527 6.214 1.00 2.94 N ATOM 0 H ARG A 77 -2.545 -3.792 4.872 1.00 0.62 H new ATOM 0 HA ARG A 77 -4.206 -2.511 5.532 1.00 0.54 H new ATOM 0 HB2 ARG A 77 -6.304 -3.608 6.074 1.00 0.59 H new ATOM 0 HB3 ARG A 77 -5.461 -4.488 4.815 1.00 0.59 H new ATOM 0 HG2 ARG A 77 -4.642 -6.085 6.614 1.00 1.14 H new ATOM 0 HG3 ARG A 77 -5.718 -5.270 7.732 1.00 1.14 H new ATOM 0 HD2 ARG A 77 -6.625 -6.507 5.107 1.00 1.04 H new ATOM 0 HD3 ARG A 77 -6.679 -7.342 6.647 1.00 1.04 H new ATOM 0 HE ARG A 77 -8.063 -4.999 7.157 1.00 1.78 H new ATOM 0 HH11 ARG A 77 -8.291 -7.515 4.675 1.00 1.93 H new ATOM 0 HH12 ARG A 77 -10.040 -7.338 4.497 1.00 1.93 H new ATOM 0 HH21 ARG A 77 -10.305 -4.795 6.924 1.00 2.94 H new ATOM 0 HH22 ARG A 77 -11.173 -5.806 5.764 1.00 2.94 H new ATOM 1047 N THR A 78 -2.897 -2.828 8.138 1.00 0.91 N ATOM 1048 CA THR A 78 -2.677 -2.378 9.502 1.00 1.05 C ATOM 1049 C THR A 78 -1.392 -1.564 9.579 1.00 1.42 C ATOM 1050 O THR A 78 -0.605 -1.555 8.629 1.00 2.15 O ATOM 1051 CB THR A 78 -2.601 -3.566 10.484 1.00 1.57 C ATOM 1052 OG1 THR A 78 -1.884 -4.652 9.885 1.00 2.50 O ATOM 1053 CG2 THR A 78 -3.992 -4.030 10.897 1.00 2.05 C ATOM 0 H THR A 78 -2.040 -3.048 7.631 1.00 0.91 H new ATOM 0 HA THR A 78 -3.524 -1.755 9.790 1.00 1.05 H new ATOM 0 HB THR A 78 -2.074 -3.232 11.378 1.00 1.57 H new ATOM 0 HG1 THR A 78 -2.457 -5.100 9.229 1.00 2.50 H new ATOM 0 HG21 THR A 78 -3.906 -4.868 11.589 1.00 2.05 H new ATOM 0 HG22 THR A 78 -4.519 -3.210 11.384 1.00 2.05 H new ATOM 0 HG23 THR A 78 -4.548 -4.345 10.014 1.00 2.05 H new ATOM 1061 N CYS A 79 -1.180 -0.892 10.700 1.00 1.67 N ATOM 1062 CA CYS A 79 -0.032 -0.009 10.858 1.00 2.22 C ATOM 1063 C CYS A 79 1.243 -0.815 11.076 1.00 2.94 C ATOM 1064 O CYS A 79 1.169 -1.885 11.719 1.00 3.37 O ATOM 1065 CB CYS A 79 -0.262 0.951 12.025 1.00 2.48 C ATOM 1066 SG CYS A 79 -0.444 0.128 13.643 1.00 2.56 S ATOM 0 H CYS A 79 -1.789 -0.941 11.517 1.00 1.67 H new ATOM 0 HA CYS A 79 0.085 0.572 9.943 1.00 2.22 H new ATOM 0 HB2 CYS A 79 0.573 1.649 12.077 1.00 2.48 H new ATOM 0 HB3 CYS A 79 -1.158 1.539 11.826 1.00 2.48 H new TER 1071 CYS A 79