USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=24 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 40 GLN : amide:sc= -1.43 X(o=-0.72,f=-0.99!) USER MOD Set 1.2: A 78 THR OG1 : rot -162:sc= 0.711 USER MOD Set 2.1: A 51 ASN : amide:sc= 2.11 K(o=2.1,f=-4.9!) USER MOD Set 2.2: A 54 SER OG : rot 78:sc= 0.00312 USER MOD Set 3.1: A 18 SER OG : rot -58:sc= -0.213 USER MOD Set 3.2: A 49 THR OG1 : rot -63:sc= 0.9 USER MOD Set 3.3: A 74 THR OG1 : rot 105:sc= 2.3 USER MOD Single : A 12 HIS : no HD1:sc= -0.321 X(o=-0.32,f=-0.33) USER MOD Single : A 13 THR OG1 : rot 26:sc= 0.685 USER MOD Single : A 15 ASN : amide:sc= -0.991 K(o=-0.99,f=-2.8!) USER MOD Single : A 19 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.105) USER MOD Single : A 21 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.0073) USER MOD Single : A 22 THR OG1 : rot -75:sc= 0.117 USER MOD Single : A 27 LYS NZ :NH3+ 167:sc= -0.0145 (180deg=-0.183) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0286 USER MOD Single : A 31 SER OG : rot 180:sc= -0.489 USER MOD Single : A 33 SER OG : rot 180:sc= 0.27 USER MOD Single : A 43 LYS NZ :NH3+ -164:sc= -0.039 (180deg=-0.319) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HE2:sc= -1.22 K(o=-1.2,f=-2.9) USER MOD Single : A 48 TYR OH : rot 130:sc= -1.37! USER MOD Single : A 50 TYR OH : rot 14:sc= 0.153 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -175:sc= -2.49 (180deg=-2.7) USER MOD Single : A 63 LYS NZ :NH3+ 167:sc= -0.0165 (180deg=-0.202) USER MOD Single : A 65 GLN : amide:sc= -0.0676 K(o=-0.068,f=-0.95) USER MOD Single : A 67 TYR OH : rot -147:sc= 0.282 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 177:sc= 0 (180deg=-0.0137) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 10 1.425 -3.028 12.706 1.00 3.75 N ATOM 2 CA CYS A 10 2.575 -3.957 12.655 1.00 3.34 C ATOM 3 C CYS A 10 3.515 -3.582 11.513 1.00 3.18 C ATOM 4 O CYS A 10 4.478 -4.294 11.228 1.00 3.37 O ATOM 5 CB CYS A 10 2.080 -5.396 12.464 1.00 2.99 C ATOM 6 SG CYS A 10 1.428 -5.756 10.794 1.00 3.12 S ATOM 0 HA CYS A 10 3.119 -3.885 13.597 1.00 3.34 H new ATOM 0 HB2 CYS A 10 2.901 -6.081 12.675 1.00 2.99 H new ATOM 0 HB3 CYS A 10 1.299 -5.599 13.197 1.00 2.99 H new ATOM 11 N VAL A 11 3.233 -2.459 10.862 1.00 3.25 N ATOM 12 CA VAL A 11 3.995 -2.039 9.700 1.00 3.21 C ATOM 13 C VAL A 11 5.279 -1.342 10.128 1.00 2.44 C ATOM 14 O VAL A 11 5.243 -0.261 10.715 1.00 2.96 O ATOM 15 CB VAL A 11 3.177 -1.094 8.800 1.00 4.32 C ATOM 16 CG1 VAL A 11 3.903 -0.840 7.488 1.00 4.88 C ATOM 17 CG2 VAL A 11 1.786 -1.660 8.551 1.00 5.17 C ATOM 0 H VAL A 11 2.479 -1.824 11.123 1.00 3.25 H new ATOM 0 HA VAL A 11 4.239 -2.936 9.130 1.00 3.21 H new ATOM 0 HB VAL A 11 3.067 -0.140 9.315 1.00 4.32 H new ATOM 0 HG11 VAL A 11 3.308 -0.170 6.867 1.00 4.88 H new ATOM 0 HG12 VAL A 11 4.871 -0.383 7.691 1.00 4.88 H new ATOM 0 HG13 VAL A 11 4.050 -1.785 6.965 1.00 4.88 H new ATOM 0 HG21 VAL A 11 1.224 -0.978 7.913 1.00 5.17 H new ATOM 0 HG22 VAL A 11 1.870 -2.629 8.060 1.00 5.17 H new ATOM 0 HG23 VAL A 11 1.266 -1.779 9.502 1.00 5.17 H new ATOM 27 N HIS A 12 6.410 -1.961 9.829 1.00 1.79 N ATOM 28 CA HIS A 12 7.699 -1.419 10.237 1.00 1.77 C ATOM 29 C HIS A 12 8.373 -0.684 9.074 1.00 1.51 C ATOM 30 O HIS A 12 9.577 -0.434 9.088 1.00 2.26 O ATOM 31 CB HIS A 12 8.598 -2.544 10.774 1.00 2.38 C ATOM 32 CG HIS A 12 9.862 -2.067 11.428 1.00 3.01 C ATOM 33 ND1 HIS A 12 11.117 -2.471 11.026 1.00 4.01 N ATOM 34 CD2 HIS A 12 10.058 -1.218 12.463 1.00 3.32 C ATOM 35 CE1 HIS A 12 12.027 -1.893 11.784 1.00 4.72 C ATOM 36 NE2 HIS A 12 11.411 -1.127 12.662 1.00 4.33 N ATOM 0 H HIS A 12 6.463 -2.836 9.307 1.00 1.79 H new ATOM 0 HA HIS A 12 7.537 -0.696 11.036 1.00 1.77 H new ATOM 0 HB2 HIS A 12 8.031 -3.134 11.494 1.00 2.38 H new ATOM 0 HB3 HIS A 12 8.858 -3.210 9.951 1.00 2.38 H new ATOM 0 HD2 HIS A 12 9.291 -0.707 13.027 1.00 3.32 H new ATOM 0 HE1 HIS A 12 13.096 -2.025 11.700 1.00 4.72 H new ATOM 0 HE2 HIS A 12 11.868 -0.558 13.375 1.00 4.33 H new ATOM 45 N THR A 13 7.559 -0.337 8.071 1.00 1.05 N ATOM 46 CA THR A 13 8.014 0.368 6.868 1.00 0.80 C ATOM 47 C THR A 13 9.237 -0.298 6.243 1.00 0.84 C ATOM 48 O THR A 13 10.333 0.266 6.222 1.00 1.82 O ATOM 49 CB THR A 13 8.293 1.868 7.133 1.00 1.18 C ATOM 50 OG1 THR A 13 9.108 2.048 8.298 1.00 1.45 O ATOM 51 CG2 THR A 13 6.988 2.632 7.304 1.00 1.93 C ATOM 0 H THR A 13 6.559 -0.539 8.071 1.00 1.05 H new ATOM 0 HA THR A 13 7.192 0.305 6.155 1.00 0.80 H new ATOM 0 HB THR A 13 8.830 2.259 6.269 1.00 1.18 H new ATOM 0 HG1 THR A 13 9.644 1.242 8.450 1.00 1.45 H new ATOM 0 HG21 THR A 13 7.204 3.684 7.489 1.00 1.93 H new ATOM 0 HG22 THR A 13 6.390 2.539 6.397 1.00 1.93 H new ATOM 0 HG23 THR A 13 6.434 2.221 8.148 1.00 1.93 H new ATOM 59 N GLY A 14 9.036 -1.504 5.741 1.00 0.79 N ATOM 60 CA GLY A 14 10.092 -2.206 5.049 1.00 0.83 C ATOM 61 C GLY A 14 10.137 -1.830 3.588 1.00 0.86 C ATOM 62 O GLY A 14 9.090 -1.658 2.966 1.00 1.81 O ATOM 0 H GLY A 14 8.154 -2.012 5.801 1.00 0.79 H new ATOM 0 HA2 GLY A 14 11.050 -1.976 5.515 1.00 0.83 H new ATOM 0 HA3 GLY A 14 9.940 -3.281 5.145 1.00 0.83 H new ATOM 66 N ASN A 15 11.346 -1.703 3.048 1.00 0.68 N ATOM 67 CA ASN A 15 11.548 -1.352 1.640 1.00 0.59 C ATOM 68 C ASN A 15 11.173 -2.521 0.730 1.00 0.47 C ATOM 69 O ASN A 15 11.997 -3.063 -0.005 1.00 0.46 O ATOM 70 CB ASN A 15 13.003 -0.913 1.403 1.00 0.71 C ATOM 71 CG ASN A 15 14.028 -1.907 1.921 1.00 1.48 C ATOM 72 OD1 ASN A 15 14.504 -2.772 1.190 1.00 2.06 O ATOM 73 ND2 ASN A 15 14.389 -1.780 3.187 1.00 2.23 N ATOM 0 H ASN A 15 12.212 -1.839 3.569 1.00 0.68 H new ATOM 0 HA ASN A 15 10.894 -0.516 1.394 1.00 0.59 H new ATOM 0 HB2 ASN A 15 13.160 -0.765 0.335 1.00 0.71 H new ATOM 0 HB3 ASN A 15 13.167 0.050 1.886 1.00 0.71 H new ATOM 0 HD21 ASN A 15 15.084 -2.412 3.585 1.00 2.23 H new ATOM 0 HD22 ASN A 15 13.973 -1.050 3.765 1.00 2.23 H new ATOM 80 N ILE A 16 9.909 -2.896 0.789 1.00 0.46 N ATOM 81 CA ILE A 16 9.391 -4.021 0.038 1.00 0.46 C ATOM 82 C ILE A 16 8.098 -3.617 -0.663 1.00 0.47 C ATOM 83 O ILE A 16 7.101 -3.289 -0.017 1.00 0.57 O ATOM 84 CB ILE A 16 9.136 -5.264 0.942 1.00 0.56 C ATOM 85 CG1 ILE A 16 10.446 -5.980 1.306 1.00 0.72 C ATOM 86 CG2 ILE A 16 8.184 -6.245 0.272 1.00 0.58 C ATOM 87 CD1 ILE A 16 11.226 -5.329 2.428 1.00 0.77 C ATOM 0 H ILE A 16 9.210 -2.425 1.363 1.00 0.46 H new ATOM 0 HA ILE A 16 10.144 -4.302 -0.698 1.00 0.46 H new ATOM 0 HB ILE A 16 8.678 -4.898 1.861 1.00 0.56 H new ATOM 0 HG12 ILE A 16 10.217 -7.008 1.588 1.00 0.72 H new ATOM 0 HG13 ILE A 16 11.079 -6.026 0.420 1.00 0.72 H new ATOM 0 HG21 ILE A 16 8.025 -7.102 0.926 1.00 0.58 H new ATOM 0 HG22 ILE A 16 7.230 -5.753 0.080 1.00 0.58 H new ATOM 0 HG23 ILE A 16 8.614 -6.583 -0.671 1.00 0.58 H new ATOM 0 HD11 ILE A 16 12.135 -5.900 2.618 1.00 0.77 H new ATOM 0 HD12 ILE A 16 11.490 -4.310 2.144 1.00 0.77 H new ATOM 0 HD13 ILE A 16 10.615 -5.307 3.331 1.00 0.77 H new ATOM 99 N GLY A 17 8.132 -3.627 -1.984 1.00 0.41 N ATOM 100 CA GLY A 17 6.954 -3.326 -2.763 1.00 0.44 C ATOM 101 C GLY A 17 6.167 -4.583 -3.060 1.00 0.37 C ATOM 102 O GLY A 17 6.643 -5.688 -2.799 1.00 0.35 O ATOM 0 H GLY A 17 8.963 -3.841 -2.535 1.00 0.41 H new ATOM 0 HA2 GLY A 17 6.326 -2.619 -2.221 1.00 0.44 H new ATOM 0 HA3 GLY A 17 7.244 -2.845 -3.697 1.00 0.44 H new ATOM 106 N SER A 18 4.971 -4.433 -3.605 1.00 0.39 N ATOM 107 CA SER A 18 4.162 -5.587 -3.954 1.00 0.32 C ATOM 108 C SER A 18 3.647 -5.492 -5.387 1.00 0.37 C ATOM 109 O SER A 18 3.376 -4.404 -5.889 1.00 0.45 O ATOM 110 CB SER A 18 2.998 -5.743 -2.972 1.00 0.32 C ATOM 111 OG SER A 18 3.463 -6.046 -1.671 1.00 1.00 O ATOM 0 H SER A 18 4.542 -3.531 -3.814 1.00 0.39 H new ATOM 0 HA SER A 18 4.795 -6.472 -3.887 1.00 0.32 H new ATOM 0 HB2 SER A 18 2.414 -4.823 -2.947 1.00 0.32 H new ATOM 0 HB3 SER A 18 2.332 -6.534 -3.316 1.00 0.32 H new ATOM 0 HG SER A 18 3.999 -6.866 -1.698 1.00 1.00 H new ATOM 117 N LYS A 19 3.558 -6.647 -6.045 1.00 0.39 N ATOM 118 CA LYS A 19 3.050 -6.731 -7.414 1.00 0.49 C ATOM 119 C LYS A 19 1.529 -6.750 -7.434 1.00 0.38 C ATOM 120 O LYS A 19 0.910 -6.633 -8.492 1.00 0.41 O ATOM 121 CB LYS A 19 3.576 -7.978 -8.104 1.00 0.69 C ATOM 122 CG LYS A 19 5.046 -7.941 -8.412 1.00 0.96 C ATOM 123 CD LYS A 19 5.380 -6.866 -9.417 1.00 1.10 C ATOM 124 CE LYS A 19 6.856 -6.887 -9.731 1.00 1.75 C ATOM 125 NZ LYS A 19 7.240 -8.072 -10.542 1.00 2.49 N ATOM 0 H LYS A 19 3.834 -7.545 -5.648 1.00 0.39 H new ATOM 0 HA LYS A 19 3.399 -5.847 -7.948 1.00 0.49 H new ATOM 0 HB2 LYS A 19 3.371 -8.842 -7.472 1.00 0.69 H new ATOM 0 HB3 LYS A 19 3.026 -8.124 -9.033 1.00 0.69 H new ATOM 0 HG2 LYS A 19 5.606 -7.766 -7.493 1.00 0.96 H new ATOM 0 HG3 LYS A 19 5.361 -8.910 -8.798 1.00 0.96 H new ATOM 0 HD2 LYS A 19 4.804 -7.020 -10.330 1.00 1.10 H new ATOM 0 HD3 LYS A 19 5.098 -5.889 -9.023 1.00 1.10 H new ATOM 0 HE2 LYS A 19 7.124 -5.978 -10.269 1.00 1.75 H new ATOM 0 HE3 LYS A 19 7.424 -6.886 -8.801 1.00 1.75 H new ATOM 0 HZ1 LYS A 19 8.207 -7.946 -10.905 1.00 2.49 H new ATOM 0 HZ2 LYS A 19 7.201 -8.926 -9.949 1.00 2.49 H new ATOM 0 HZ3 LYS A 19 6.581 -8.174 -11.340 1.00 2.49 H new ATOM 139 N ALA A 20 0.941 -6.929 -6.255 1.00 0.31 N ATOM 140 CA ALA A 20 -0.509 -6.932 -6.105 1.00 0.26 C ATOM 141 C ALA A 20 -1.120 -5.684 -6.707 1.00 0.21 C ATOM 142 O ALA A 20 -0.596 -4.580 -6.566 1.00 0.27 O ATOM 143 CB ALA A 20 -0.886 -7.056 -4.640 1.00 0.23 C ATOM 0 H ALA A 20 1.452 -7.075 -5.384 1.00 0.31 H new ATOM 0 HA ALA A 20 -0.906 -7.793 -6.643 1.00 0.26 H new ATOM 0 HB1 ALA A 20 -1.972 -7.057 -4.542 1.00 0.23 H new ATOM 0 HB2 ALA A 20 -0.485 -7.987 -4.239 1.00 0.23 H new ATOM 0 HB3 ALA A 20 -0.473 -6.214 -4.085 1.00 0.23 H new ATOM 149 N GLN A 21 -2.230 -5.884 -7.379 1.00 0.24 N ATOM 150 CA GLN A 21 -2.890 -4.838 -8.125 1.00 0.25 C ATOM 151 C GLN A 21 -3.518 -3.796 -7.210 1.00 0.21 C ATOM 152 O GLN A 21 -4.121 -4.128 -6.185 1.00 0.23 O ATOM 153 CB GLN A 21 -3.954 -5.476 -9.000 1.00 0.33 C ATOM 154 CG GLN A 21 -3.388 -6.302 -10.139 1.00 1.08 C ATOM 155 CD GLN A 21 -4.466 -6.916 -11.011 1.00 1.45 C ATOM 156 OE1 GLN A 21 -4.284 -7.997 -11.575 1.00 1.96 O ATOM 157 NE2 GLN A 21 -5.589 -6.229 -11.140 1.00 1.95 N ATOM 0 H GLN A 21 -2.705 -6.786 -7.424 1.00 0.24 H new ATOM 0 HA GLN A 21 -2.150 -4.320 -8.735 1.00 0.25 H new ATOM 0 HB2 GLN A 21 -4.588 -6.111 -8.382 1.00 0.33 H new ATOM 0 HB3 GLN A 21 -4.591 -4.693 -9.412 1.00 0.33 H new ATOM 0 HG2 GLN A 21 -2.745 -5.672 -10.754 1.00 1.08 H new ATOM 0 HG3 GLN A 21 -2.762 -7.095 -9.731 1.00 1.08 H new ATOM 0 HE21 GLN A 21 -5.700 -5.338 -10.656 1.00 1.95 H new ATOM 0 HE22 GLN A 21 -6.344 -6.590 -11.723 1.00 1.95 H new ATOM 166 N THR A 22 -3.361 -2.531 -7.584 1.00 0.22 N ATOM 167 CA THR A 22 -4.004 -1.440 -6.880 1.00 0.22 C ATOM 168 C THR A 22 -5.505 -1.467 -7.145 1.00 0.24 C ATOM 169 O THR A 22 -5.943 -1.656 -8.283 1.00 0.29 O ATOM 170 CB THR A 22 -3.420 -0.080 -7.311 1.00 0.26 C ATOM 171 OG1 THR A 22 -2.550 -0.263 -8.435 1.00 0.57 O ATOM 172 CG2 THR A 22 -2.650 0.578 -6.175 1.00 0.28 C ATOM 0 H THR A 22 -2.789 -2.240 -8.377 1.00 0.22 H new ATOM 0 HA THR A 22 -3.820 -1.567 -5.813 1.00 0.22 H new ATOM 0 HB THR A 22 -4.249 0.572 -7.584 1.00 0.26 H new ATOM 0 HG1 THR A 22 -1.706 -0.659 -8.134 1.00 0.57 H new ATOM 0 HG21 THR A 22 -2.251 1.535 -6.512 1.00 0.28 H new ATOM 0 HG22 THR A 22 -3.318 0.741 -5.329 1.00 0.28 H new ATOM 0 HG23 THR A 22 -1.828 -0.070 -5.869 1.00 0.28 H new ATOM 180 N ILE A 23 -6.279 -1.296 -6.087 1.00 0.23 N ATOM 181 CA ILE A 23 -7.730 -1.428 -6.153 1.00 0.28 C ATOM 182 C ILE A 23 -8.353 -0.238 -6.877 1.00 0.36 C ATOM 183 O ILE A 23 -9.466 -0.320 -7.401 1.00 0.43 O ATOM 184 CB ILE A 23 -8.326 -1.537 -4.741 1.00 0.28 C ATOM 185 CG1 ILE A 23 -7.394 -2.361 -3.863 1.00 0.22 C ATOM 186 CG2 ILE A 23 -9.707 -2.178 -4.777 1.00 0.34 C ATOM 187 CD1 ILE A 23 -8.016 -2.803 -2.569 1.00 0.26 C ATOM 0 H ILE A 23 -5.924 -1.062 -5.160 1.00 0.23 H new ATOM 0 HA ILE A 23 -7.956 -2.337 -6.710 1.00 0.28 H new ATOM 0 HB ILE A 23 -8.431 -0.533 -4.329 1.00 0.28 H new ATOM 0 HG12 ILE A 23 -7.069 -3.241 -4.419 1.00 0.22 H new ATOM 0 HG13 ILE A 23 -6.502 -1.774 -3.645 1.00 0.22 H new ATOM 0 HG21 ILE A 23 -10.105 -2.242 -3.764 1.00 0.34 H new ATOM 0 HG22 ILE A 23 -10.374 -1.572 -5.391 1.00 0.34 H new ATOM 0 HG23 ILE A 23 -9.633 -3.179 -5.202 1.00 0.34 H new ATOM 0 HD11 ILE A 23 -7.293 -3.385 -1.998 1.00 0.26 H new ATOM 0 HD12 ILE A 23 -8.316 -1.928 -1.992 1.00 0.26 H new ATOM 0 HD13 ILE A 23 -8.892 -3.417 -2.777 1.00 0.26 H new ATOM 199 N GLY A 24 -7.615 0.861 -6.908 1.00 0.38 N ATOM 200 CA GLY A 24 -8.077 2.059 -7.571 1.00 0.45 C ATOM 201 C GLY A 24 -6.918 2.907 -8.040 1.00 0.31 C ATOM 202 O GLY A 24 -5.769 2.461 -7.995 1.00 0.34 O ATOM 0 H GLY A 24 -6.693 0.943 -6.480 1.00 0.38 H new ATOM 0 HA2 GLY A 24 -8.701 1.788 -8.423 1.00 0.45 H new ATOM 0 HA3 GLY A 24 -8.701 2.637 -6.890 1.00 0.45 H new ATOM 206 N GLU A 25 -7.208 4.121 -8.488 1.00 0.26 N ATOM 207 CA GLU A 25 -6.187 5.027 -8.956 1.00 0.29 C ATOM 208 C GLU A 25 -5.233 5.389 -7.820 1.00 0.25 C ATOM 209 O GLU A 25 -5.657 5.612 -6.681 1.00 0.32 O ATOM 210 CB GLU A 25 -6.842 6.280 -9.523 1.00 0.46 C ATOM 211 CG GLU A 25 -5.858 7.207 -10.189 1.00 1.30 C ATOM 212 CD GLU A 25 -6.507 8.444 -10.768 1.00 1.45 C ATOM 213 OE1 GLU A 25 -7.111 8.347 -11.854 1.00 1.33 O ATOM 214 OE2 GLU A 25 -6.427 9.517 -10.129 1.00 2.04 O ATOM 0 H GLU A 25 -8.155 4.497 -8.534 1.00 0.26 H new ATOM 0 HA GLU A 25 -5.609 4.540 -9.741 1.00 0.29 H new ATOM 0 HB2 GLU A 25 -7.605 5.990 -10.245 1.00 0.46 H new ATOM 0 HB3 GLU A 25 -7.349 6.814 -8.719 1.00 0.46 H new ATOM 0 HG2 GLU A 25 -5.102 7.507 -9.463 1.00 1.30 H new ATOM 0 HG3 GLU A 25 -5.342 6.669 -10.984 1.00 1.30 H new ATOM 221 N VAL A 26 -3.946 5.436 -8.130 1.00 0.23 N ATOM 222 CA VAL A 26 -2.937 5.745 -7.133 1.00 0.20 C ATOM 223 C VAL A 26 -2.950 7.227 -6.793 1.00 0.22 C ATOM 224 O VAL A 26 -2.552 8.068 -7.600 1.00 0.24 O ATOM 225 CB VAL A 26 -1.523 5.344 -7.599 1.00 0.21 C ATOM 226 CG1 VAL A 26 -0.524 5.513 -6.466 1.00 0.19 C ATOM 227 CG2 VAL A 26 -1.518 3.915 -8.114 1.00 0.26 C ATOM 0 H VAL A 26 -3.577 5.264 -9.065 1.00 0.23 H new ATOM 0 HA VAL A 26 -3.185 5.163 -6.245 1.00 0.20 H new ATOM 0 HB VAL A 26 -1.227 6.001 -8.417 1.00 0.21 H new ATOM 0 HG11 VAL A 26 0.469 5.226 -6.811 1.00 0.19 H new ATOM 0 HG12 VAL A 26 -0.510 6.555 -6.146 1.00 0.19 H new ATOM 0 HG13 VAL A 26 -0.814 4.880 -5.628 1.00 0.19 H new ATOM 0 HG21 VAL A 26 -0.512 3.649 -8.439 1.00 0.26 H new ATOM 0 HG22 VAL A 26 -1.833 3.240 -7.318 1.00 0.26 H new ATOM 0 HG23 VAL A 26 -2.205 3.829 -8.955 1.00 0.26 H new ATOM 237 N LYS A 27 -3.432 7.536 -5.603 1.00 0.28 N ATOM 238 CA LYS A 27 -3.442 8.899 -5.107 1.00 0.33 C ATOM 239 C LYS A 27 -2.376 9.044 -4.035 1.00 0.26 C ATOM 240 O LYS A 27 -1.982 8.060 -3.407 1.00 0.31 O ATOM 241 CB LYS A 27 -4.817 9.253 -4.533 1.00 0.48 C ATOM 242 CG LYS A 27 -5.951 9.150 -5.542 1.00 1.03 C ATOM 243 CD LYS A 27 -7.297 9.494 -4.916 1.00 1.43 C ATOM 244 CE LYS A 27 -7.390 10.966 -4.535 1.00 2.04 C ATOM 245 NZ LYS A 27 -7.360 11.854 -5.728 1.00 2.50 N ATOM 0 H LYS A 27 -3.826 6.852 -4.956 1.00 0.28 H new ATOM 0 HA LYS A 27 -3.231 9.582 -5.930 1.00 0.33 H new ATOM 0 HB2 LYS A 27 -5.030 8.592 -3.693 1.00 0.48 H new ATOM 0 HB3 LYS A 27 -4.785 10.269 -4.139 1.00 0.48 H new ATOM 0 HG2 LYS A 27 -5.756 9.822 -6.378 1.00 1.03 H new ATOM 0 HG3 LYS A 27 -5.986 8.139 -5.948 1.00 1.03 H new ATOM 0 HD2 LYS A 27 -8.096 9.250 -5.617 1.00 1.43 H new ATOM 0 HD3 LYS A 27 -7.452 8.880 -4.029 1.00 1.43 H new ATOM 0 HE2 LYS A 27 -8.311 11.139 -3.978 1.00 2.04 H new ATOM 0 HE3 LYS A 27 -6.563 11.222 -3.872 1.00 2.04 H new ATOM 0 HZ1 LYS A 27 -7.644 12.816 -5.452 1.00 2.50 H new ATOM 0 HZ2 LYS A 27 -6.397 11.876 -6.120 1.00 2.50 H new ATOM 0 HZ3 LYS A 27 -8.018 11.492 -6.447 1.00 2.50 H new ATOM 259 N ARG A 28 -1.892 10.257 -3.846 1.00 0.26 N ATOM 260 CA ARG A 28 -0.873 10.523 -2.855 1.00 0.23 C ATOM 261 C ARG A 28 -1.501 10.630 -1.467 1.00 0.21 C ATOM 262 O ARG A 28 -2.625 11.116 -1.319 1.00 0.29 O ATOM 263 CB ARG A 28 -0.152 11.816 -3.221 1.00 0.31 C ATOM 264 CG ARG A 28 1.064 12.124 -2.372 1.00 1.25 C ATOM 265 CD ARG A 28 1.842 13.283 -2.959 1.00 1.23 C ATOM 266 NE ARG A 28 1.092 14.536 -2.896 1.00 1.92 N ATOM 267 CZ ARG A 28 1.148 15.487 -3.828 1.00 2.19 C ATOM 268 NH1 ARG A 28 1.930 15.342 -4.894 1.00 1.66 N ATOM 269 NH2 ARG A 28 0.422 16.588 -3.693 1.00 3.25 N ATOM 0 H ARG A 28 -2.193 11.078 -4.372 1.00 0.26 H new ATOM 0 HA ARG A 28 -0.155 9.703 -2.837 1.00 0.23 H new ATOM 0 HB2 ARG A 28 0.155 11.762 -4.265 1.00 0.31 H new ATOM 0 HB3 ARG A 28 -0.856 12.644 -3.138 1.00 0.31 H new ATOM 0 HG2 ARG A 28 0.753 12.365 -1.355 1.00 1.25 H new ATOM 0 HG3 ARG A 28 1.704 11.244 -2.310 1.00 1.25 H new ATOM 0 HD2 ARG A 28 2.783 13.397 -2.421 1.00 1.23 H new ATOM 0 HD3 ARG A 28 2.092 13.063 -3.997 1.00 1.23 H new ATOM 0 HE ARG A 28 0.488 14.692 -2.089 1.00 1.92 H new ATOM 0 HH11 ARG A 28 2.493 14.498 -5.003 1.00 1.66 H new ATOM 0 HH12 ARG A 28 1.967 16.075 -5.603 1.00 1.66 H new ATOM 0 HH21 ARG A 28 -0.178 16.706 -2.877 1.00 3.25 H new ATOM 0 HH22 ARG A 28 0.464 17.317 -4.405 1.00 3.25 H new ATOM 283 N ALA A 29 -0.775 10.173 -0.462 1.00 0.17 N ATOM 284 CA ALA A 29 -1.243 10.211 0.917 1.00 0.19 C ATOM 285 C ALA A 29 -0.223 10.929 1.791 1.00 0.24 C ATOM 286 O ALA A 29 0.977 10.861 1.534 1.00 0.33 O ATOM 287 CB ALA A 29 -1.494 8.799 1.432 1.00 0.16 C ATOM 0 H ALA A 29 0.153 9.766 -0.576 1.00 0.17 H new ATOM 0 HA ALA A 29 -2.184 10.759 0.957 1.00 0.19 H new ATOM 0 HB1 ALA A 29 -1.843 8.845 2.464 1.00 0.16 H new ATOM 0 HB2 ALA A 29 -2.250 8.315 0.814 1.00 0.16 H new ATOM 0 HB3 ALA A 29 -0.568 8.225 1.387 1.00 0.16 H new ATOM 293 N SER A 30 -0.700 11.619 2.819 1.00 0.30 N ATOM 294 CA SER A 30 0.174 12.408 3.677 1.00 0.37 C ATOM 295 C SER A 30 0.813 11.568 4.788 1.00 0.29 C ATOM 296 O SER A 30 1.453 12.114 5.688 1.00 0.42 O ATOM 297 CB SER A 30 -0.610 13.578 4.273 1.00 0.53 C ATOM 298 OG SER A 30 -1.893 13.163 4.713 1.00 1.37 O ATOM 0 H SER A 30 -1.686 11.648 3.079 1.00 0.30 H new ATOM 0 HA SER A 30 0.989 12.788 3.061 1.00 0.37 H new ATOM 0 HB2 SER A 30 -0.055 14.003 5.110 1.00 0.53 H new ATOM 0 HB3 SER A 30 -0.715 14.366 3.528 1.00 0.53 H new ATOM 0 HG SER A 30 -2.373 13.929 5.091 1.00 1.37 H new ATOM 304 N SER A 31 0.634 10.248 4.722 1.00 0.19 N ATOM 305 CA SER A 31 1.271 9.336 5.669 1.00 0.19 C ATOM 306 C SER A 31 0.944 7.885 5.325 1.00 0.18 C ATOM 307 O SER A 31 -0.034 7.611 4.620 1.00 0.21 O ATOM 308 CB SER A 31 0.830 9.641 7.108 1.00 0.25 C ATOM 309 OG SER A 31 -0.574 9.520 7.257 1.00 0.78 O ATOM 0 H SER A 31 0.053 9.788 4.022 1.00 0.19 H new ATOM 0 HA SER A 31 2.349 9.483 5.596 1.00 0.19 H new ATOM 0 HB2 SER A 31 1.330 8.959 7.795 1.00 0.25 H new ATOM 0 HB3 SER A 31 1.140 10.650 7.379 1.00 0.25 H new ATOM 0 HG SER A 31 -0.823 9.719 8.184 1.00 0.78 H new ATOM 315 N LEU A 32 1.764 6.957 5.812 1.00 0.17 N ATOM 316 CA LEU A 32 1.491 5.536 5.647 1.00 0.18 C ATOM 317 C LEU A 32 0.207 5.168 6.380 1.00 0.18 C ATOM 318 O LEU A 32 -0.581 4.345 5.913 1.00 0.21 O ATOM 319 CB LEU A 32 2.656 4.687 6.167 1.00 0.20 C ATOM 320 CG LEU A 32 2.374 3.189 6.218 1.00 0.26 C ATOM 321 CD1 LEU A 32 3.098 2.478 5.095 1.00 0.81 C ATOM 322 CD2 LEU A 32 2.753 2.604 7.559 1.00 0.87 C ATOM 0 H LEU A 32 2.622 7.165 6.323 1.00 0.17 H new ATOM 0 HA LEU A 32 1.371 5.331 4.583 1.00 0.18 H new ATOM 0 HB2 LEU A 32 3.526 4.859 5.533 1.00 0.20 H new ATOM 0 HB3 LEU A 32 2.919 5.029 7.168 1.00 0.20 H new ATOM 0 HG LEU A 32 1.302 3.042 6.087 1.00 0.26 H new ATOM 0 HD11 LEU A 32 2.887 1.410 5.145 1.00 0.81 H new ATOM 0 HD12 LEU A 32 2.758 2.871 4.137 1.00 0.81 H new ATOM 0 HD13 LEU A 32 4.171 2.641 5.194 1.00 0.81 H new ATOM 0 HD21 LEU A 32 2.540 1.535 7.563 1.00 0.87 H new ATOM 0 HD22 LEU A 32 3.817 2.763 7.738 1.00 0.87 H new ATOM 0 HD23 LEU A 32 2.176 3.092 8.345 1.00 0.87 H new ATOM 334 N SER A 33 -0.001 5.803 7.526 1.00 0.21 N ATOM 335 CA SER A 33 -1.202 5.596 8.315 1.00 0.24 C ATOM 336 C SER A 33 -2.437 6.039 7.527 1.00 0.20 C ATOM 337 O SER A 33 -3.488 5.403 7.584 1.00 0.20 O ATOM 338 CB SER A 33 -1.098 6.370 9.633 1.00 0.31 C ATOM 339 OG SER A 33 -2.233 6.162 10.456 1.00 0.99 O ATOM 0 H SER A 33 0.655 6.471 7.930 1.00 0.21 H new ATOM 0 HA SER A 33 -1.302 4.534 8.539 1.00 0.24 H new ATOM 0 HB2 SER A 33 -0.200 6.060 10.167 1.00 0.31 H new ATOM 0 HB3 SER A 33 -0.992 7.434 9.422 1.00 0.31 H new ATOM 0 HG SER A 33 -2.131 6.670 11.288 1.00 0.99 H new ATOM 345 N GLU A 34 -2.292 7.121 6.770 1.00 0.20 N ATOM 346 CA GLU A 34 -3.375 7.628 5.938 1.00 0.20 C ATOM 347 C GLU A 34 -3.740 6.618 4.859 1.00 0.18 C ATOM 348 O GLU A 34 -4.913 6.351 4.609 1.00 0.20 O ATOM 349 CB GLU A 34 -2.970 8.940 5.287 1.00 0.26 C ATOM 350 CG GLU A 34 -4.138 9.673 4.678 1.00 0.36 C ATOM 351 CD GLU A 34 -5.127 10.135 5.725 1.00 1.03 C ATOM 352 OE1 GLU A 34 -4.733 10.920 6.611 1.00 1.69 O ATOM 353 OE2 GLU A 34 -6.295 9.695 5.681 1.00 1.20 O ATOM 0 H GLU A 34 -1.431 7.665 6.716 1.00 0.20 H new ATOM 0 HA GLU A 34 -4.243 7.795 6.576 1.00 0.20 H new ATOM 0 HB2 GLU A 34 -2.494 9.578 6.031 1.00 0.26 H new ATOM 0 HB3 GLU A 34 -2.227 8.743 4.514 1.00 0.26 H new ATOM 0 HG2 GLU A 34 -3.773 10.535 4.119 1.00 0.36 H new ATOM 0 HG3 GLU A 34 -4.643 9.021 3.965 1.00 0.36 H new ATOM 360 N CYS A 35 -2.720 6.052 4.232 1.00 0.17 N ATOM 361 CA CYS A 35 -2.918 5.045 3.200 1.00 0.16 C ATOM 362 C CYS A 35 -3.508 3.774 3.818 1.00 0.16 C ATOM 363 O CYS A 35 -4.187 2.997 3.145 1.00 0.20 O ATOM 364 CB CYS A 35 -1.582 4.741 2.513 1.00 0.19 C ATOM 365 SG CYS A 35 -1.706 3.633 1.074 1.00 0.20 S ATOM 0 H CYS A 35 -1.743 6.274 4.421 1.00 0.17 H new ATOM 0 HA CYS A 35 -3.617 5.423 2.454 1.00 0.16 H new ATOM 0 HB2 CYS A 35 -1.130 5.680 2.194 1.00 0.19 H new ATOM 0 HB3 CYS A 35 -0.907 4.294 3.242 1.00 0.19 H new ATOM 370 N ARG A 36 -3.256 3.573 5.110 1.00 0.18 N ATOM 371 CA ARG A 36 -3.881 2.482 5.847 1.00 0.22 C ATOM 372 C ARG A 36 -5.386 2.680 5.878 1.00 0.25 C ATOM 373 O ARG A 36 -6.152 1.764 5.578 1.00 0.28 O ATOM 374 CB ARG A 36 -3.331 2.399 7.273 1.00 0.26 C ATOM 375 CG ARG A 36 -4.074 1.415 8.158 1.00 0.35 C ATOM 376 CD ARG A 36 -3.444 1.325 9.533 1.00 0.46 C ATOM 377 NE ARG A 36 -3.450 2.606 10.239 1.00 1.31 N ATOM 378 CZ ARG A 36 -3.094 2.752 11.514 1.00 1.67 C ATOM 379 NH1 ARG A 36 -2.724 1.696 12.231 1.00 1.32 N ATOM 380 NH2 ARG A 36 -3.108 3.953 12.070 1.00 2.77 N ATOM 0 H ARG A 36 -2.625 4.151 5.665 1.00 0.18 H new ATOM 0 HA ARG A 36 -3.650 1.545 5.340 1.00 0.22 H new ATOM 0 HB2 ARG A 36 -2.280 2.114 7.231 1.00 0.26 H new ATOM 0 HB3 ARG A 36 -3.375 3.388 7.728 1.00 0.26 H new ATOM 0 HG2 ARG A 36 -5.115 1.723 8.252 1.00 0.35 H new ATOM 0 HG3 ARG A 36 -4.074 0.430 7.691 1.00 0.35 H new ATOM 0 HD2 ARG A 36 -3.980 0.585 10.127 1.00 0.46 H new ATOM 0 HD3 ARG A 36 -2.417 0.973 9.436 1.00 0.46 H new ATOM 0 HE ARG A 36 -3.744 3.436 9.725 1.00 1.31 H new ATOM 0 HH11 ARG A 36 -2.712 0.769 11.805 1.00 1.32 H new ATOM 0 HH12 ARG A 36 -2.452 1.812 13.207 1.00 1.32 H new ATOM 0 HH21 ARG A 36 -3.391 4.765 11.522 1.00 2.77 H new ATOM 0 HH22 ARG A 36 -2.836 4.066 13.046 1.00 2.77 H new ATOM 394 N ALA A 37 -5.797 3.894 6.217 1.00 0.29 N ATOM 395 CA ALA A 37 -7.204 4.260 6.209 1.00 0.37 C ATOM 396 C ALA A 37 -7.774 4.133 4.804 1.00 0.37 C ATOM 397 O ALA A 37 -8.960 3.856 4.622 1.00 0.42 O ATOM 398 CB ALA A 37 -7.382 5.675 6.727 1.00 0.41 C ATOM 0 H ALA A 37 -5.170 4.646 6.503 1.00 0.29 H new ATOM 0 HA ALA A 37 -7.746 3.580 6.866 1.00 0.37 H new ATOM 0 HB1 ALA A 37 -8.440 5.936 6.716 1.00 0.41 H new ATOM 0 HB2 ALA A 37 -7.003 5.739 7.747 1.00 0.41 H new ATOM 0 HB3 ALA A 37 -6.831 6.367 6.091 1.00 0.41 H new ATOM 404 N ARG A 38 -6.913 4.328 3.814 1.00 0.33 N ATOM 405 CA ARG A 38 -7.308 4.191 2.426 1.00 0.36 C ATOM 406 C ARG A 38 -7.598 2.733 2.088 1.00 0.34 C ATOM 407 O ARG A 38 -8.521 2.429 1.331 1.00 0.42 O ATOM 408 CB ARG A 38 -6.243 4.727 1.503 1.00 0.39 C ATOM 409 CG ARG A 38 -6.865 5.406 0.317 1.00 0.73 C ATOM 410 CD ARG A 38 -5.864 5.736 -0.748 1.00 1.47 C ATOM 411 NE ARG A 38 -6.527 6.145 -1.986 1.00 1.91 N ATOM 412 CZ ARG A 38 -6.070 5.876 -3.206 1.00 2.93 C ATOM 413 NH1 ARG A 38 -4.873 5.322 -3.366 1.00 3.77 N ATOM 414 NH2 ARG A 38 -6.804 6.180 -4.269 1.00 3.34 N ATOM 0 H ARG A 38 -5.935 4.582 3.951 1.00 0.33 H new ATOM 0 HA ARG A 38 -8.217 4.775 2.283 1.00 0.36 H new ATOM 0 HB2 ARG A 38 -5.609 5.432 2.041 1.00 0.39 H new ATOM 0 HB3 ARG A 38 -5.601 3.912 1.167 1.00 0.39 H new ATOM 0 HG2 ARG A 38 -7.637 4.761 -0.103 1.00 0.73 H new ATOM 0 HG3 ARG A 38 -7.357 6.322 0.644 1.00 0.73 H new ATOM 0 HD2 ARG A 38 -5.210 6.536 -0.401 1.00 1.47 H new ATOM 0 HD3 ARG A 38 -5.233 4.868 -0.940 1.00 1.47 H new ATOM 0 HE ARG A 38 -7.397 6.671 -1.909 1.00 1.91 H new ATOM 0 HH11 ARG A 38 -4.300 5.101 -2.551 1.00 3.77 H new ATOM 0 HH12 ARG A 38 -4.527 5.118 -4.303 1.00 3.77 H new ATOM 0 HH21 ARG A 38 -7.717 6.619 -4.150 1.00 3.34 H new ATOM 0 HH22 ARG A 38 -6.455 5.975 -5.205 1.00 3.34 H new ATOM 428 N CYS A 39 -6.799 1.835 2.656 1.00 0.28 N ATOM 429 CA CYS A 39 -6.997 0.401 2.476 1.00 0.31 C ATOM 430 C CYS A 39 -8.297 -0.036 3.142 1.00 0.32 C ATOM 431 O CYS A 39 -9.006 -0.899 2.634 1.00 0.38 O ATOM 432 CB CYS A 39 -5.810 -0.379 3.060 1.00 0.36 C ATOM 433 SG CYS A 39 -5.947 -2.196 2.925 1.00 0.95 S ATOM 0 H CYS A 39 -6.004 2.077 3.248 1.00 0.28 H new ATOM 0 HA CYS A 39 -7.061 0.187 1.409 1.00 0.31 H new ATOM 0 HB2 CYS A 39 -4.899 -0.059 2.555 1.00 0.36 H new ATOM 0 HB3 CYS A 39 -5.701 -0.114 4.112 1.00 0.36 H new ATOM 438 N GLN A 40 -8.611 0.587 4.275 1.00 0.35 N ATOM 439 CA GLN A 40 -9.843 0.290 5.009 1.00 0.41 C ATOM 440 C GLN A 40 -11.069 0.597 4.157 1.00 0.39 C ATOM 441 O GLN A 40 -12.104 -0.062 4.274 1.00 0.44 O ATOM 442 CB GLN A 40 -9.907 1.115 6.293 1.00 0.48 C ATOM 443 CG GLN A 40 -8.694 0.949 7.187 1.00 0.85 C ATOM 444 CD GLN A 40 -8.795 1.755 8.469 1.00 1.23 C ATOM 445 OE1 GLN A 40 -8.252 1.371 9.505 1.00 1.75 O ATOM 446 NE2 GLN A 40 -9.489 2.880 8.410 1.00 1.90 N ATOM 0 H GLN A 40 -8.028 1.304 4.708 1.00 0.35 H new ATOM 0 HA GLN A 40 -9.837 -0.772 5.256 1.00 0.41 H new ATOM 0 HB2 GLN A 40 -10.014 2.168 6.032 1.00 0.48 H new ATOM 0 HB3 GLN A 40 -10.800 0.833 6.851 1.00 0.48 H new ATOM 0 HG2 GLN A 40 -8.572 -0.105 7.435 1.00 0.85 H new ATOM 0 HG3 GLN A 40 -7.801 1.253 6.641 1.00 0.85 H new ATOM 0 HE21 GLN A 40 -9.925 3.165 7.533 1.00 1.90 H new ATOM 0 HE22 GLN A 40 -9.588 3.462 9.242 1.00 1.90 H new ATOM 455 N ALA A 41 -10.940 1.610 3.314 1.00 0.36 N ATOM 456 CA ALA A 41 -12.023 2.027 2.430 1.00 0.37 C ATOM 457 C ALA A 41 -12.396 0.916 1.453 1.00 0.32 C ATOM 458 O ALA A 41 -13.578 0.626 1.247 1.00 0.41 O ATOM 459 CB ALA A 41 -11.635 3.289 1.676 1.00 0.45 C ATOM 0 H ALA A 41 -10.089 2.164 3.222 1.00 0.36 H new ATOM 0 HA ALA A 41 -12.897 2.240 3.045 1.00 0.37 H new ATOM 0 HB1 ALA A 41 -12.453 3.587 1.021 1.00 0.45 H new ATOM 0 HB2 ALA A 41 -11.429 4.089 2.387 1.00 0.45 H new ATOM 0 HB3 ALA A 41 -10.744 3.097 1.079 1.00 0.45 H new ATOM 465 N GLU A 42 -11.388 0.292 0.859 1.00 0.37 N ATOM 466 CA GLU A 42 -11.616 -0.807 -0.067 1.00 0.43 C ATOM 467 C GLU A 42 -11.812 -2.104 0.703 1.00 0.46 C ATOM 468 O GLU A 42 -10.878 -2.626 1.305 1.00 0.66 O ATOM 469 CB GLU A 42 -10.440 -0.963 -1.028 1.00 0.51 C ATOM 470 CG GLU A 42 -10.191 0.237 -1.926 1.00 0.37 C ATOM 471 CD GLU A 42 -11.415 0.653 -2.716 1.00 1.03 C ATOM 472 OE1 GLU A 42 -12.004 -0.212 -3.399 1.00 1.53 O ATOM 473 OE2 GLU A 42 -11.792 1.843 -2.659 1.00 1.47 O ATOM 0 H GLU A 42 -10.406 0.528 1.002 1.00 0.37 H new ATOM 0 HA GLU A 42 -12.513 -0.583 -0.644 1.00 0.43 H new ATOM 0 HB2 GLU A 42 -9.538 -1.159 -0.448 1.00 0.51 H new ATOM 0 HB3 GLU A 42 -10.613 -1.838 -1.654 1.00 0.51 H new ATOM 0 HG2 GLU A 42 -9.857 1.076 -1.316 1.00 0.37 H new ATOM 0 HG3 GLU A 42 -9.382 0.004 -2.618 1.00 0.37 H new ATOM 480 N LYS A 43 -13.026 -2.625 0.674 1.00 0.49 N ATOM 481 CA LYS A 43 -13.359 -3.837 1.418 1.00 0.54 C ATOM 482 C LYS A 43 -12.526 -5.034 0.953 1.00 0.50 C ATOM 483 O LYS A 43 -12.298 -5.971 1.717 1.00 0.67 O ATOM 484 CB LYS A 43 -14.854 -4.165 1.295 1.00 0.66 C ATOM 485 CG LYS A 43 -15.292 -4.650 -0.086 1.00 1.47 C ATOM 486 CD LYS A 43 -15.409 -3.517 -1.098 1.00 2.04 C ATOM 487 CE LYS A 43 -16.559 -2.577 -0.769 1.00 2.80 C ATOM 488 NZ LYS A 43 -17.874 -3.272 -0.809 1.00 3.38 N ATOM 0 H LYS A 43 -13.802 -2.230 0.143 1.00 0.49 H new ATOM 0 HA LYS A 43 -13.123 -3.643 2.464 1.00 0.54 H new ATOM 0 HB2 LYS A 43 -15.105 -4.930 2.030 1.00 0.66 H new ATOM 0 HB3 LYS A 43 -15.429 -3.275 1.551 1.00 0.66 H new ATOM 0 HG2 LYS A 43 -14.576 -5.386 -0.452 1.00 1.47 H new ATOM 0 HG3 LYS A 43 -16.254 -5.156 -0.001 1.00 1.47 H new ATOM 0 HD2 LYS A 43 -14.476 -2.954 -1.122 1.00 2.04 H new ATOM 0 HD3 LYS A 43 -15.555 -3.934 -2.094 1.00 2.04 H new ATOM 0 HE2 LYS A 43 -16.405 -2.148 0.221 1.00 2.80 H new ATOM 0 HE3 LYS A 43 -16.565 -1.749 -1.478 1.00 2.80 H new ATOM 0 HZ1 LYS A 43 -18.638 -2.567 -0.850 1.00 3.38 H new ATOM 0 HZ2 LYS A 43 -17.919 -3.881 -1.650 1.00 3.38 H new ATOM 0 HZ3 LYS A 43 -17.985 -3.854 0.046 1.00 3.38 H new ATOM 502 N GLU A 44 -12.065 -4.993 -0.292 1.00 0.38 N ATOM 503 CA GLU A 44 -11.316 -6.104 -0.862 1.00 0.40 C ATOM 504 C GLU A 44 -9.814 -5.920 -0.636 1.00 0.35 C ATOM 505 O GLU A 44 -9.002 -6.735 -1.076 1.00 0.37 O ATOM 506 CB GLU A 44 -11.626 -6.229 -2.354 1.00 0.53 C ATOM 507 CG GLU A 44 -11.286 -7.589 -2.944 1.00 0.98 C ATOM 508 CD GLU A 44 -11.692 -7.709 -4.397 1.00 1.37 C ATOM 509 OE1 GLU A 44 -12.852 -7.383 -4.727 1.00 1.87 O ATOM 510 OE2 GLU A 44 -10.849 -8.115 -5.220 1.00 1.96 O ATOM 0 H GLU A 44 -12.197 -4.203 -0.924 1.00 0.38 H new ATOM 0 HA GLU A 44 -11.619 -7.023 -0.361 1.00 0.40 H new ATOM 0 HB2 GLU A 44 -12.686 -6.030 -2.512 1.00 0.53 H new ATOM 0 HB3 GLU A 44 -11.073 -5.461 -2.895 1.00 0.53 H new ATOM 0 HG2 GLU A 44 -10.214 -7.762 -2.854 1.00 0.98 H new ATOM 0 HG3 GLU A 44 -11.784 -8.367 -2.366 1.00 0.98 H new ATOM 517 N CYS A 45 -9.450 -4.849 0.058 1.00 0.32 N ATOM 518 CA CYS A 45 -8.052 -4.574 0.360 1.00 0.31 C ATOM 519 C CYS A 45 -7.590 -5.472 1.497 1.00 0.33 C ATOM 520 O CYS A 45 -8.365 -5.791 2.400 1.00 0.55 O ATOM 521 CB CYS A 45 -7.866 -3.099 0.744 1.00 0.38 C ATOM 522 SG CYS A 45 -6.128 -2.567 0.938 1.00 0.62 S ATOM 0 H CYS A 45 -10.104 -4.157 0.422 1.00 0.32 H new ATOM 0 HA CYS A 45 -7.452 -4.777 -0.527 1.00 0.31 H new ATOM 0 HB2 CYS A 45 -8.338 -2.478 -0.018 1.00 0.38 H new ATOM 0 HB3 CYS A 45 -8.394 -2.913 1.679 1.00 0.38 H new ATOM 527 N SER A 46 -6.346 -5.909 1.437 1.00 0.25 N ATOM 528 CA SER A 46 -5.779 -6.720 2.503 1.00 0.27 C ATOM 529 C SER A 46 -4.448 -6.143 2.967 1.00 0.26 C ATOM 530 O SER A 46 -3.967 -6.446 4.057 1.00 0.35 O ATOM 531 CB SER A 46 -5.606 -8.153 2.033 1.00 0.30 C ATOM 532 OG SER A 46 -6.854 -8.720 1.659 1.00 1.28 O ATOM 0 H SER A 46 -5.708 -5.718 0.664 1.00 0.25 H new ATOM 0 HA SER A 46 -6.465 -6.711 3.350 1.00 0.27 H new ATOM 0 HB2 SER A 46 -4.921 -8.181 1.186 1.00 0.30 H new ATOM 0 HB3 SER A 46 -5.155 -8.748 2.827 1.00 0.30 H new ATOM 0 HG SER A 46 -6.717 -9.643 1.358 1.00 1.28 H new ATOM 538 N HIS A 47 -3.878 -5.287 2.137 1.00 0.21 N ATOM 539 CA HIS A 47 -2.596 -4.668 2.419 1.00 0.20 C ATOM 540 C HIS A 47 -2.408 -3.490 1.484 1.00 0.18 C ATOM 541 O HIS A 47 -3.034 -3.429 0.426 1.00 0.22 O ATOM 542 CB HIS A 47 -1.448 -5.671 2.229 1.00 0.22 C ATOM 543 CG HIS A 47 -1.278 -6.115 0.809 1.00 0.22 C ATOM 544 ND1 HIS A 47 -2.050 -7.098 0.230 1.00 0.26 N ATOM 545 CD2 HIS A 47 -0.461 -5.657 -0.168 1.00 0.30 C ATOM 546 CE1 HIS A 47 -1.723 -7.218 -1.039 1.00 0.29 C ATOM 547 NE2 HIS A 47 -0.760 -6.357 -1.308 1.00 0.32 N ATOM 0 H HIS A 47 -4.291 -5.002 1.249 1.00 0.21 H new ATOM 0 HA HIS A 47 -2.583 -4.333 3.456 1.00 0.20 H new ATOM 0 HB2 HIS A 47 -0.519 -5.218 2.575 1.00 0.22 H new ATOM 0 HB3 HIS A 47 -1.630 -6.544 2.856 1.00 0.22 H new ATOM 0 HD1 HIS A 47 -2.763 -7.647 0.710 1.00 0.26 H new ATOM 0 HD2 HIS A 47 0.287 -4.884 -0.068 1.00 0.30 H new ATOM 0 HE1 HIS A 47 -2.168 -7.906 -1.742 1.00 0.29 H new ATOM 556 N TYR A 48 -1.543 -2.577 1.848 1.00 0.15 N ATOM 557 CA TYR A 48 -1.297 -1.418 1.021 1.00 0.14 C ATOM 558 C TYR A 48 0.192 -1.164 0.894 1.00 0.13 C ATOM 559 O TYR A 48 0.958 -1.392 1.830 1.00 0.17 O ATOM 560 CB TYR A 48 -2.004 -0.190 1.600 1.00 0.16 C ATOM 561 CG TYR A 48 -1.586 0.139 3.010 1.00 0.20 C ATOM 562 CD1 TYR A 48 -2.232 -0.436 4.090 1.00 0.26 C ATOM 563 CD2 TYR A 48 -0.552 1.028 3.257 1.00 0.28 C ATOM 564 CE1 TYR A 48 -1.862 -0.137 5.377 1.00 0.34 C ATOM 565 CE2 TYR A 48 -0.173 1.334 4.545 1.00 0.36 C ATOM 566 CZ TYR A 48 -0.798 0.740 5.598 1.00 0.40 C ATOM 567 OH TYR A 48 -0.463 1.044 6.900 1.00 0.47 O ATOM 0 H TYR A 48 -0.997 -2.612 2.709 1.00 0.15 H new ATOM 0 HA TYR A 48 -1.699 -1.610 0.026 1.00 0.14 H new ATOM 0 HB2 TYR A 48 -1.803 0.670 0.961 1.00 0.16 H new ATOM 0 HB3 TYR A 48 -3.081 -0.358 1.579 1.00 0.16 H new ATOM 0 HD1 TYR A 48 -3.040 -1.131 3.917 1.00 0.26 H new ATOM 0 HD2 TYR A 48 -0.036 1.488 2.427 1.00 0.28 H new ATOM 0 HE1 TYR A 48 -2.389 -0.576 6.211 1.00 0.34 H new ATOM 0 HE2 TYR A 48 0.620 2.046 4.720 1.00 0.36 H new ATOM 0 HH TYR A 48 0.501 0.921 7.027 1.00 0.47 H new ATOM 577 N THR A 49 0.595 -0.723 -0.275 1.00 0.13 N ATOM 578 CA THR A 49 1.960 -0.311 -0.504 1.00 0.13 C ATOM 579 C THR A 49 2.017 1.206 -0.522 1.00 0.12 C ATOM 580 O THR A 49 1.276 1.852 -1.244 1.00 0.18 O ATOM 581 CB THR A 49 2.507 -0.880 -1.827 1.00 0.15 C ATOM 582 OG1 THR A 49 2.571 -2.312 -1.761 1.00 0.17 O ATOM 583 CG2 THR A 49 3.881 -0.314 -2.137 1.00 0.16 C ATOM 0 H THR A 49 -0.011 -0.640 -1.091 1.00 0.13 H new ATOM 0 HA THR A 49 2.584 -0.700 0.300 1.00 0.13 H new ATOM 0 HB THR A 49 1.827 -0.588 -2.628 1.00 0.15 H new ATOM 0 HG1 THR A 49 3.203 -2.579 -1.062 1.00 0.17 H new ATOM 0 HG21 THR A 49 4.243 -0.732 -3.076 1.00 0.16 H new ATOM 0 HG22 THR A 49 3.817 0.771 -2.224 1.00 0.16 H new ATOM 0 HG23 THR A 49 4.571 -0.573 -1.334 1.00 0.16 H new ATOM 591 N TYR A 50 2.860 1.769 0.298 1.00 0.17 N ATOM 592 CA TYR A 50 2.951 3.205 0.407 1.00 0.16 C ATOM 593 C TYR A 50 4.334 3.676 0.019 1.00 0.14 C ATOM 594 O TYR A 50 5.303 3.439 0.739 1.00 0.16 O ATOM 595 CB TYR A 50 2.627 3.620 1.836 1.00 0.20 C ATOM 596 CG TYR A 50 2.806 5.091 2.120 1.00 0.19 C ATOM 597 CD1 TYR A 50 2.013 6.031 1.480 1.00 0.20 C ATOM 598 CD2 TYR A 50 3.774 5.542 3.008 1.00 0.20 C ATOM 599 CE1 TYR A 50 2.175 7.374 1.711 1.00 0.23 C ATOM 600 CE2 TYR A 50 3.938 6.891 3.251 1.00 0.23 C ATOM 601 CZ TYR A 50 3.136 7.788 2.685 1.00 0.25 C ATOM 602 OH TYR A 50 3.300 9.149 2.832 1.00 0.28 O ATOM 0 H TYR A 50 3.499 1.255 0.905 1.00 0.17 H new ATOM 0 HA TYR A 50 2.234 3.666 -0.273 1.00 0.16 H new ATOM 0 HB2 TYR A 50 1.596 3.344 2.055 1.00 0.20 H new ATOM 0 HB3 TYR A 50 3.261 3.052 2.518 1.00 0.20 H new ATOM 0 HD1 TYR A 50 1.254 5.700 0.787 1.00 0.20 H new ATOM 0 HD2 TYR A 50 4.406 4.828 3.515 1.00 0.20 H new ATOM 0 HE1 TYR A 50 1.590 8.102 1.169 1.00 0.23 H new ATOM 0 HE2 TYR A 50 4.728 7.222 3.909 1.00 0.23 H new ATOM 0 HH TYR A 50 2.558 9.617 2.395 1.00 0.28 H new ATOM 612 N ASN A 51 4.431 4.336 -1.122 1.00 0.16 N ATOM 613 CA ASN A 51 5.698 4.891 -1.545 1.00 0.20 C ATOM 614 C ASN A 51 5.952 6.163 -0.757 1.00 0.19 C ATOM 615 O ASN A 51 5.461 7.231 -1.102 1.00 0.22 O ATOM 616 CB ASN A 51 5.710 5.168 -3.047 1.00 0.27 C ATOM 617 CG ASN A 51 7.057 5.672 -3.529 1.00 0.34 C ATOM 618 OD1 ASN A 51 7.310 6.873 -3.549 1.00 0.44 O ATOM 619 ND2 ASN A 51 7.936 4.761 -3.906 1.00 0.62 N ATOM 0 H ASN A 51 3.655 4.498 -1.764 1.00 0.16 H new ATOM 0 HA ASN A 51 6.492 4.170 -1.350 1.00 0.20 H new ATOM 0 HB2 ASN A 51 5.453 4.255 -3.585 1.00 0.27 H new ATOM 0 HB3 ASN A 51 4.943 5.905 -3.284 1.00 0.27 H new ATOM 0 HD21 ASN A 51 8.861 5.047 -4.227 1.00 0.62 H new ATOM 0 HD22 ASN A 51 7.690 3.772 -3.876 1.00 0.62 H new ATOM 626 N VAL A 52 6.726 6.028 0.304 1.00 0.18 N ATOM 627 CA VAL A 52 6.920 7.100 1.267 1.00 0.22 C ATOM 628 C VAL A 52 7.865 8.174 0.717 1.00 0.31 C ATOM 629 O VAL A 52 8.111 9.196 1.357 1.00 0.44 O ATOM 630 CB VAL A 52 7.455 6.525 2.598 1.00 0.27 C ATOM 631 CG1 VAL A 52 8.883 6.037 2.445 1.00 0.91 C ATOM 632 CG2 VAL A 52 7.337 7.536 3.726 1.00 1.04 C ATOM 0 H VAL A 52 7.238 5.174 0.524 1.00 0.18 H new ATOM 0 HA VAL A 52 5.957 7.575 1.453 1.00 0.22 H new ATOM 0 HB VAL A 52 6.835 5.668 2.861 1.00 0.27 H new ATOM 0 HG11 VAL A 52 9.235 5.637 3.396 1.00 0.91 H new ATOM 0 HG12 VAL A 52 8.921 5.255 1.687 1.00 0.91 H new ATOM 0 HG13 VAL A 52 9.521 6.867 2.142 1.00 0.91 H new ATOM 0 HG21 VAL A 52 7.722 7.099 4.648 1.00 1.04 H new ATOM 0 HG22 VAL A 52 7.914 8.427 3.478 1.00 1.04 H new ATOM 0 HG23 VAL A 52 6.290 7.808 3.863 1.00 1.04 H new ATOM 642 N LYS A 53 8.380 7.944 -0.481 1.00 0.33 N ATOM 643 CA LYS A 53 9.243 8.912 -1.134 1.00 0.45 C ATOM 644 C LYS A 53 8.420 9.921 -1.930 1.00 0.44 C ATOM 645 O LYS A 53 8.486 11.123 -1.678 1.00 0.59 O ATOM 646 CB LYS A 53 10.258 8.207 -2.027 1.00 0.58 C ATOM 647 CG LYS A 53 11.668 8.206 -1.455 1.00 1.03 C ATOM 648 CD LYS A 53 11.715 7.591 -0.066 1.00 1.31 C ATOM 649 CE LYS A 53 13.060 7.831 0.600 1.00 1.33 C ATOM 650 NZ LYS A 53 13.067 7.380 2.015 1.00 1.68 N ATOM 0 H LYS A 53 8.214 7.094 -1.020 1.00 0.33 H new ATOM 0 HA LYS A 53 9.790 9.459 -0.366 1.00 0.45 H new ATOM 0 HB2 LYS A 53 9.938 7.177 -2.186 1.00 0.58 H new ATOM 0 HB3 LYS A 53 10.270 8.691 -3.003 1.00 0.58 H new ATOM 0 HG2 LYS A 53 12.329 7.651 -2.120 1.00 1.03 H new ATOM 0 HG3 LYS A 53 12.043 9.228 -1.412 1.00 1.03 H new ATOM 0 HD2 LYS A 53 10.922 8.016 0.549 1.00 1.31 H new ATOM 0 HD3 LYS A 53 11.527 6.520 -0.134 1.00 1.31 H new ATOM 0 HE2 LYS A 53 13.838 7.304 0.047 1.00 1.33 H new ATOM 0 HE3 LYS A 53 13.302 8.893 0.556 1.00 1.33 H new ATOM 0 HZ1 LYS A 53 14.002 7.561 2.433 1.00 1.68 H new ATOM 0 HZ2 LYS A 53 12.342 7.901 2.549 1.00 1.68 H new ATOM 0 HZ3 LYS A 53 12.861 6.361 2.056 1.00 1.68 H new ATOM 664 N SER A 54 7.632 9.435 -2.874 1.00 0.34 N ATOM 665 CA SER A 54 6.760 10.297 -3.659 1.00 0.36 C ATOM 666 C SER A 54 5.484 10.614 -2.881 1.00 0.33 C ATOM 667 O SER A 54 4.800 11.599 -3.156 1.00 0.43 O ATOM 668 CB SER A 54 6.412 9.623 -4.987 1.00 0.40 C ATOM 669 OG SER A 54 7.585 9.210 -5.670 1.00 0.94 O ATOM 0 H SER A 54 7.577 8.446 -3.117 1.00 0.34 H new ATOM 0 HA SER A 54 7.285 11.230 -3.863 1.00 0.36 H new ATOM 0 HB2 SER A 54 5.771 8.761 -4.804 1.00 0.40 H new ATOM 0 HB3 SER A 54 5.847 10.314 -5.613 1.00 0.40 H new ATOM 0 HG SER A 54 7.923 8.382 -5.268 1.00 0.94 H new ATOM 675 N GLY A 55 5.176 9.767 -1.909 1.00 0.26 N ATOM 676 CA GLY A 55 4.002 9.963 -1.084 1.00 0.24 C ATOM 677 C GLY A 55 2.796 9.220 -1.618 1.00 0.20 C ATOM 678 O GLY A 55 1.689 9.383 -1.117 1.00 0.27 O ATOM 0 H GLY A 55 5.725 8.939 -1.676 1.00 0.26 H new ATOM 0 HA2 GLY A 55 4.213 9.627 -0.069 1.00 0.24 H new ATOM 0 HA3 GLY A 55 3.774 11.027 -1.026 1.00 0.24 H new ATOM 682 N LEU A 56 3.010 8.395 -2.631 1.00 0.22 N ATOM 683 CA LEU A 56 1.915 7.707 -3.297 1.00 0.19 C ATOM 684 C LEU A 56 1.380 6.550 -2.459 1.00 0.15 C ATOM 685 O LEU A 56 2.140 5.815 -1.832 1.00 0.14 O ATOM 686 CB LEU A 56 2.356 7.200 -4.669 1.00 0.22 C ATOM 687 CG LEU A 56 2.738 8.290 -5.677 1.00 0.33 C ATOM 688 CD1 LEU A 56 3.300 7.671 -6.947 1.00 0.40 C ATOM 689 CD2 LEU A 56 1.535 9.163 -6.004 1.00 0.37 C ATOM 0 H LEU A 56 3.933 8.185 -3.010 1.00 0.22 H new ATOM 0 HA LEU A 56 1.108 8.428 -3.424 1.00 0.19 H new ATOM 0 HB2 LEU A 56 3.210 6.536 -4.536 1.00 0.22 H new ATOM 0 HB3 LEU A 56 1.550 6.602 -5.094 1.00 0.22 H new ATOM 0 HG LEU A 56 3.508 8.916 -5.226 1.00 0.33 H new ATOM 0 HD11 LEU A 56 3.565 8.461 -7.650 1.00 0.40 H new ATOM 0 HD12 LEU A 56 4.188 7.087 -6.705 1.00 0.40 H new ATOM 0 HD13 LEU A 56 2.550 7.021 -7.398 1.00 0.40 H new ATOM 0 HD21 LEU A 56 1.827 9.931 -6.721 1.00 0.37 H new ATOM 0 HD22 LEU A 56 0.744 8.547 -6.433 1.00 0.37 H new ATOM 0 HD23 LEU A 56 1.171 9.637 -5.093 1.00 0.37 H new ATOM 701 N CYS A 57 0.066 6.393 -2.478 1.00 0.14 N ATOM 702 CA CYS A 57 -0.604 5.343 -1.730 1.00 0.13 C ATOM 703 C CYS A 57 -1.137 4.273 -2.676 1.00 0.11 C ATOM 704 O CYS A 57 -1.883 4.572 -3.612 1.00 0.13 O ATOM 705 CB CYS A 57 -1.756 5.927 -0.914 1.00 0.17 C ATOM 706 SG CYS A 57 -2.875 4.670 -0.215 1.00 0.20 S ATOM 0 H CYS A 57 -0.565 6.990 -3.012 1.00 0.14 H new ATOM 0 HA CYS A 57 0.120 4.889 -1.053 1.00 0.13 H new ATOM 0 HB2 CYS A 57 -1.346 6.527 -0.101 1.00 0.17 H new ATOM 0 HB3 CYS A 57 -2.333 6.601 -1.548 1.00 0.17 H new ATOM 711 N TYR A 58 -0.755 3.030 -2.428 1.00 0.11 N ATOM 712 CA TYR A 58 -1.153 1.912 -3.273 1.00 0.13 C ATOM 713 C TYR A 58 -1.989 0.900 -2.497 1.00 0.13 C ATOM 714 O TYR A 58 -1.450 -0.077 -1.976 1.00 0.12 O ATOM 715 CB TYR A 58 0.081 1.192 -3.821 1.00 0.15 C ATOM 716 CG TYR A 58 0.975 2.037 -4.690 1.00 0.17 C ATOM 717 CD1 TYR A 58 0.767 2.119 -6.058 1.00 0.21 C ATOM 718 CD2 TYR A 58 2.019 2.760 -4.140 1.00 0.18 C ATOM 719 CE1 TYR A 58 1.575 2.899 -6.855 1.00 0.24 C ATOM 720 CE2 TYR A 58 2.834 3.541 -4.928 1.00 0.21 C ATOM 721 CZ TYR A 58 2.637 3.574 -6.292 1.00 0.24 C ATOM 722 OH TYR A 58 3.413 4.395 -7.080 1.00 0.28 O ATOM 0 H TYR A 58 -0.163 2.767 -1.640 1.00 0.11 H new ATOM 0 HA TYR A 58 -1.747 2.322 -4.090 1.00 0.13 H new ATOM 0 HB2 TYR A 58 0.666 0.815 -2.982 1.00 0.15 H new ATOM 0 HB3 TYR A 58 -0.247 0.326 -4.396 1.00 0.15 H new ATOM 0 HD1 TYR A 58 -0.042 1.562 -6.506 1.00 0.21 H new ATOM 0 HD2 TYR A 58 2.197 2.711 -3.076 1.00 0.18 H new ATOM 0 HE1 TYR A 58 1.378 2.981 -7.914 1.00 0.24 H new ATOM 0 HE2 TYR A 58 3.624 4.125 -4.480 1.00 0.21 H new ATOM 0 HH TYR A 58 4.120 4.799 -6.535 1.00 0.28 H new ATOM 732 N PRO A 59 -3.308 1.100 -2.413 1.00 0.15 N ATOM 733 CA PRO A 59 -4.208 0.122 -1.811 1.00 0.16 C ATOM 734 C PRO A 59 -4.273 -1.111 -2.692 1.00 0.15 C ATOM 735 O PRO A 59 -4.657 -1.024 -3.859 1.00 0.16 O ATOM 736 CB PRO A 59 -5.568 0.833 -1.776 1.00 0.20 C ATOM 737 CG PRO A 59 -5.270 2.264 -2.064 1.00 0.32 C ATOM 738 CD PRO A 59 -4.035 2.265 -2.910 1.00 0.20 C ATOM 0 HA PRO A 59 -3.890 -0.205 -0.821 1.00 0.16 H new ATOM 0 HB2 PRO A 59 -6.249 0.416 -2.518 1.00 0.20 H new ATOM 0 HB3 PRO A 59 -6.047 0.719 -0.803 1.00 0.20 H new ATOM 0 HG2 PRO A 59 -6.101 2.738 -2.586 1.00 0.32 H new ATOM 0 HG3 PRO A 59 -5.112 2.823 -1.142 1.00 0.32 H new ATOM 0 HD2 PRO A 59 -4.270 2.174 -3.970 1.00 0.20 H new ATOM 0 HD3 PRO A 59 -3.461 3.183 -2.788 1.00 0.20 H new ATOM 746 N LYS A 60 -3.874 -2.248 -2.157 1.00 0.14 N ATOM 747 CA LYS A 60 -3.762 -3.448 -2.962 1.00 0.14 C ATOM 748 C LYS A 60 -4.711 -4.531 -2.481 1.00 0.13 C ATOM 749 O LYS A 60 -4.803 -4.829 -1.287 1.00 0.14 O ATOM 750 CB LYS A 60 -2.321 -3.950 -2.963 1.00 0.16 C ATOM 751 CG LYS A 60 -1.374 -3.072 -3.772 1.00 0.20 C ATOM 752 CD LYS A 60 0.080 -3.386 -3.463 1.00 0.29 C ATOM 753 CE LYS A 60 1.005 -3.034 -4.625 1.00 0.39 C ATOM 754 NZ LYS A 60 0.875 -1.622 -5.067 1.00 0.82 N ATOM 0 H LYS A 60 -3.624 -2.366 -1.175 1.00 0.14 H new ATOM 0 HA LYS A 60 -4.046 -3.197 -3.984 1.00 0.14 H new ATOM 0 HB2 LYS A 60 -1.963 -4.006 -1.935 1.00 0.16 H new ATOM 0 HB3 LYS A 60 -2.297 -4.963 -3.365 1.00 0.16 H new ATOM 0 HG2 LYS A 60 -1.560 -3.219 -4.836 1.00 0.20 H new ATOM 0 HG3 LYS A 60 -1.575 -2.023 -3.555 1.00 0.20 H new ATOM 0 HD2 LYS A 60 0.388 -2.834 -2.575 1.00 0.29 H new ATOM 0 HD3 LYS A 60 0.179 -4.446 -3.230 1.00 0.29 H new ATOM 0 HE2 LYS A 60 2.037 -3.222 -4.330 1.00 0.39 H new ATOM 0 HE3 LYS A 60 0.789 -3.693 -5.466 1.00 0.39 H new ATOM 0 HZ1 LYS A 60 1.464 -1.467 -5.910 1.00 0.82 H new ATOM 0 HZ2 LYS A 60 -0.119 -1.420 -5.297 1.00 0.82 H new ATOM 0 HZ3 LYS A 60 1.189 -0.989 -4.304 1.00 0.82 H new ATOM 768 N ARG A 61 -5.412 -5.115 -3.429 1.00 0.15 N ATOM 769 CA ARG A 61 -6.382 -6.148 -3.138 1.00 0.17 C ATOM 770 C ARG A 61 -5.788 -7.518 -3.418 1.00 0.17 C ATOM 771 O ARG A 61 -4.841 -7.645 -4.201 1.00 0.22 O ATOM 772 CB ARG A 61 -7.649 -5.925 -3.952 1.00 0.28 C ATOM 773 CG ARG A 61 -7.473 -6.065 -5.447 1.00 0.39 C ATOM 774 CD ARG A 61 -8.821 -5.997 -6.117 1.00 0.70 C ATOM 775 NE ARG A 61 -8.735 -5.992 -7.574 1.00 0.64 N ATOM 776 CZ ARG A 61 -9.713 -6.418 -8.373 1.00 1.22 C ATOM 777 NH1 ARG A 61 -10.797 -6.992 -7.857 1.00 2.00 N ATOM 778 NH2 ARG A 61 -9.595 -6.294 -9.690 1.00 1.20 N ATOM 0 H ARG A 61 -5.326 -4.888 -4.420 1.00 0.15 H new ATOM 0 HA ARG A 61 -6.645 -6.101 -2.081 1.00 0.17 H new ATOM 0 HB2 ARG A 61 -8.407 -6.635 -3.621 1.00 0.28 H new ATOM 0 HB3 ARG A 61 -8.032 -4.927 -3.737 1.00 0.28 H new ATOM 0 HG2 ARG A 61 -6.827 -5.273 -5.824 1.00 0.39 H new ATOM 0 HG3 ARG A 61 -6.986 -7.012 -5.680 1.00 0.39 H new ATOM 0 HD2 ARG A 61 -9.423 -6.848 -5.797 1.00 0.70 H new ATOM 0 HD3 ARG A 61 -9.340 -5.097 -5.786 1.00 0.70 H new ATOM 0 HE ARG A 61 -7.879 -5.643 -8.005 1.00 0.64 H new ATOM 0 HH11 ARG A 61 -10.881 -7.107 -6.847 1.00 2.00 H new ATOM 0 HH12 ARG A 61 -11.544 -7.317 -8.471 1.00 2.00 H new ATOM 0 HH21 ARG A 61 -8.756 -5.873 -10.089 1.00 1.20 H new ATOM 0 HH22 ARG A 61 -10.343 -6.620 -10.302 1.00 1.20 H new ATOM 792 N GLY A 62 -6.329 -8.531 -2.766 1.00 0.22 N ATOM 793 CA GLY A 62 -5.801 -9.871 -2.908 1.00 0.30 C ATOM 794 C GLY A 62 -4.523 -10.068 -2.115 1.00 0.29 C ATOM 795 O GLY A 62 -4.216 -9.291 -1.207 1.00 0.37 O ATOM 0 H GLY A 62 -7.128 -8.450 -2.138 1.00 0.22 H new ATOM 0 HA2 GLY A 62 -6.548 -10.592 -2.575 1.00 0.30 H new ATOM 0 HA3 GLY A 62 -5.608 -10.075 -3.961 1.00 0.30 H new ATOM 799 N LYS A 63 -3.773 -11.103 -2.461 1.00 0.39 N ATOM 800 CA LYS A 63 -2.538 -11.422 -1.762 1.00 0.48 C ATOM 801 C LYS A 63 -1.374 -10.610 -2.323 1.00 0.40 C ATOM 802 O LYS A 63 -1.371 -10.240 -3.498 1.00 0.49 O ATOM 803 CB LYS A 63 -2.242 -12.916 -1.871 1.00 0.71 C ATOM 804 CG LYS A 63 -3.304 -13.788 -1.228 1.00 1.73 C ATOM 805 CD LYS A 63 -2.917 -15.254 -1.270 1.00 2.07 C ATOM 806 CE LYS A 63 -3.973 -16.126 -0.615 1.00 2.93 C ATOM 807 NZ LYS A 63 -5.269 -16.068 -1.336 1.00 3.72 N ATOM 0 H LYS A 63 -4.000 -11.739 -3.225 1.00 0.39 H new ATOM 0 HA LYS A 63 -2.661 -11.162 -0.711 1.00 0.48 H new ATOM 0 HB2 LYS A 63 -2.150 -13.185 -2.923 1.00 0.71 H new ATOM 0 HB3 LYS A 63 -1.280 -13.123 -1.403 1.00 0.71 H new ATOM 0 HG2 LYS A 63 -3.453 -13.479 -0.193 1.00 1.73 H new ATOM 0 HG3 LYS A 63 -4.254 -13.646 -1.743 1.00 1.73 H new ATOM 0 HD2 LYS A 63 -2.777 -15.565 -2.305 1.00 2.07 H new ATOM 0 HD3 LYS A 63 -1.962 -15.394 -0.763 1.00 2.07 H new ATOM 0 HE2 LYS A 63 -3.622 -17.157 -0.583 1.00 2.93 H new ATOM 0 HE3 LYS A 63 -4.118 -15.806 0.417 1.00 2.93 H new ATOM 0 HZ1 LYS A 63 -5.889 -16.832 -0.998 1.00 3.72 H new ATOM 0 HZ2 LYS A 63 -5.724 -15.149 -1.160 1.00 3.72 H new ATOM 0 HZ3 LYS A 63 -5.104 -16.182 -2.356 1.00 3.72 H new ATOM 821 N PRO A 64 -0.379 -10.303 -1.481 1.00 0.41 N ATOM 822 CA PRO A 64 0.773 -9.501 -1.874 1.00 0.38 C ATOM 823 C PRO A 64 1.882 -10.321 -2.519 1.00 0.35 C ATOM 824 O PRO A 64 1.880 -11.551 -2.475 1.00 0.44 O ATOM 825 CB PRO A 64 1.248 -8.942 -0.539 1.00 0.53 C ATOM 826 CG PRO A 64 0.976 -10.047 0.417 1.00 0.62 C ATOM 827 CD PRO A 64 -0.297 -10.702 -0.061 1.00 0.59 C ATOM 0 HA PRO A 64 0.514 -8.753 -2.623 1.00 0.38 H new ATOM 0 HB2 PRO A 64 2.307 -8.686 -0.565 1.00 0.53 H new ATOM 0 HB3 PRO A 64 0.707 -8.035 -0.268 1.00 0.53 H new ATOM 0 HG2 PRO A 64 1.800 -10.760 0.434 1.00 0.62 H new ATOM 0 HG3 PRO A 64 0.862 -9.666 1.432 1.00 0.62 H new ATOM 0 HD2 PRO A 64 -0.257 -11.786 0.050 1.00 0.59 H new ATOM 0 HD3 PRO A 64 -1.163 -10.356 0.504 1.00 0.59 H new ATOM 835 N GLN A 65 2.830 -9.612 -3.099 1.00 0.36 N ATOM 836 CA GLN A 65 4.008 -10.210 -3.704 1.00 0.32 C ATOM 837 C GLN A 65 5.185 -9.314 -3.390 1.00 0.31 C ATOM 838 O GLN A 65 5.206 -8.164 -3.810 1.00 0.41 O ATOM 839 CB GLN A 65 3.833 -10.324 -5.217 1.00 0.40 C ATOM 840 CG GLN A 65 2.734 -11.283 -5.629 1.00 0.38 C ATOM 841 CD GLN A 65 3.072 -12.726 -5.322 1.00 1.23 C ATOM 842 OE1 GLN A 65 4.242 -13.116 -5.317 1.00 1.79 O ATOM 843 NE2 GLN A 65 2.052 -13.533 -5.080 1.00 1.95 N ATOM 0 H GLN A 65 2.806 -8.594 -3.165 1.00 0.36 H new ATOM 0 HA GLN A 65 4.167 -11.213 -3.308 1.00 0.32 H new ATOM 0 HB2 GLN A 65 3.614 -9.337 -5.625 1.00 0.40 H new ATOM 0 HB3 GLN A 65 4.774 -10.651 -5.660 1.00 0.40 H new ATOM 0 HG2 GLN A 65 1.811 -11.013 -5.116 1.00 0.38 H new ATOM 0 HG3 GLN A 65 2.547 -11.177 -6.698 1.00 0.38 H new ATOM 0 HE21 GLN A 65 1.099 -13.169 -5.094 1.00 1.95 H new ATOM 0 HE22 GLN A 65 2.218 -14.519 -4.879 1.00 1.95 H new ATOM 852 N PHE A 66 6.165 -9.832 -2.684 1.00 0.32 N ATOM 853 CA PHE A 66 7.180 -8.972 -2.096 1.00 0.33 C ATOM 854 C PHE A 66 8.441 -8.887 -2.944 1.00 0.34 C ATOM 855 O PHE A 66 9.041 -9.900 -3.305 1.00 0.40 O ATOM 856 CB PHE A 66 7.535 -9.439 -0.684 1.00 0.40 C ATOM 857 CG PHE A 66 6.358 -9.511 0.251 1.00 0.42 C ATOM 858 CD1 PHE A 66 5.465 -8.454 0.339 1.00 0.43 C ATOM 859 CD2 PHE A 66 6.141 -10.634 1.038 1.00 0.51 C ATOM 860 CE1 PHE A 66 4.380 -8.514 1.190 1.00 0.46 C ATOM 861 CE2 PHE A 66 5.057 -10.698 1.891 1.00 0.55 C ATOM 862 CZ PHE A 66 4.193 -9.650 1.988 1.00 0.50 C ATOM 0 H PHE A 66 6.285 -10.828 -2.502 1.00 0.32 H new ATOM 0 HA PHE A 66 6.748 -7.972 -2.051 1.00 0.33 H new ATOM 0 HB2 PHE A 66 7.999 -10.423 -0.744 1.00 0.40 H new ATOM 0 HB3 PHE A 66 8.278 -8.761 -0.264 1.00 0.40 H new ATOM 0 HD1 PHE A 66 5.620 -7.573 -0.266 1.00 0.43 H new ATOM 0 HD2 PHE A 66 6.827 -11.466 0.982 1.00 0.51 H new ATOM 0 HE1 PHE A 66 3.681 -7.692 1.240 1.00 0.46 H new ATOM 0 HE2 PHE A 66 4.893 -11.585 2.485 1.00 0.55 H new ATOM 0 HZ PHE A 66 3.365 -9.695 2.679 1.00 0.50 H new ATOM 872 N TYR A 67 8.825 -7.659 -3.257 1.00 0.32 N ATOM 873 CA TYR A 67 10.088 -7.379 -3.918 1.00 0.34 C ATOM 874 C TYR A 67 10.768 -6.202 -3.231 1.00 0.32 C ATOM 875 O TYR A 67 10.098 -5.304 -2.727 1.00 0.42 O ATOM 876 CB TYR A 67 9.882 -7.100 -5.408 1.00 0.43 C ATOM 877 CG TYR A 67 8.862 -6.030 -5.725 1.00 0.47 C ATOM 878 CD1 TYR A 67 9.178 -4.681 -5.626 1.00 0.52 C ATOM 879 CD2 TYR A 67 7.588 -6.373 -6.148 1.00 0.53 C ATOM 880 CE1 TYR A 67 8.251 -3.708 -5.940 1.00 0.63 C ATOM 881 CE2 TYR A 67 6.659 -5.408 -6.460 1.00 0.61 C ATOM 882 CZ TYR A 67 6.991 -4.078 -6.359 1.00 0.65 C ATOM 883 OH TYR A 67 6.061 -3.115 -6.681 1.00 0.79 O ATOM 0 H TYR A 67 8.268 -6.828 -3.059 1.00 0.32 H new ATOM 0 HA TYR A 67 10.730 -8.257 -3.840 1.00 0.34 H new ATOM 0 HB2 TYR A 67 10.838 -6.809 -5.843 1.00 0.43 H new ATOM 0 HB3 TYR A 67 9.578 -8.026 -5.897 1.00 0.43 H new ATOM 0 HD1 TYR A 67 10.165 -4.389 -5.298 1.00 0.52 H new ATOM 0 HD2 TYR A 67 7.320 -7.416 -6.234 1.00 0.53 H new ATOM 0 HE1 TYR A 67 8.511 -2.663 -5.858 1.00 0.63 H new ATOM 0 HE2 TYR A 67 5.670 -5.695 -6.784 1.00 0.61 H new ATOM 0 HH TYR A 67 5.165 -3.435 -6.447 1.00 0.79 H new ATOM 893 N LYS A 68 12.089 -6.213 -3.196 1.00 0.39 N ATOM 894 CA LYS A 68 12.837 -5.185 -2.485 1.00 0.39 C ATOM 895 C LYS A 68 12.835 -3.875 -3.267 1.00 0.41 C ATOM 896 O LYS A 68 13.487 -3.756 -4.307 1.00 0.58 O ATOM 897 CB LYS A 68 14.271 -5.652 -2.231 1.00 0.50 C ATOM 898 CG LYS A 68 15.060 -4.727 -1.316 1.00 1.29 C ATOM 899 CD LYS A 68 15.652 -5.479 -0.134 1.00 1.36 C ATOM 900 CE LYS A 68 14.567 -6.055 0.762 1.00 0.92 C ATOM 901 NZ LYS A 68 15.136 -6.816 1.906 1.00 1.27 N ATOM 0 H LYS A 68 12.667 -6.920 -3.650 1.00 0.39 H new ATOM 0 HA LYS A 68 12.351 -5.010 -1.525 1.00 0.39 H new ATOM 0 HB2 LYS A 68 14.247 -6.649 -1.792 1.00 0.50 H new ATOM 0 HB3 LYS A 68 14.791 -5.736 -3.185 1.00 0.50 H new ATOM 0 HG2 LYS A 68 15.860 -4.250 -1.882 1.00 1.29 H new ATOM 0 HG3 LYS A 68 14.409 -3.932 -0.953 1.00 1.29 H new ATOM 0 HD2 LYS A 68 16.291 -6.284 -0.497 1.00 1.36 H new ATOM 0 HD3 LYS A 68 16.285 -4.807 0.446 1.00 1.36 H new ATOM 0 HE2 LYS A 68 13.941 -5.246 1.140 1.00 0.92 H new ATOM 0 HE3 LYS A 68 13.922 -6.710 0.176 1.00 0.92 H new ATOM 0 HZ1 LYS A 68 14.363 -7.192 2.492 1.00 1.27 H new ATOM 0 HZ2 LYS A 68 15.712 -7.604 1.547 1.00 1.27 H new ATOM 0 HZ3 LYS A 68 15.731 -6.186 2.481 1.00 1.27 H new ATOM 915 N TYR A 69 12.095 -2.899 -2.759 1.00 0.32 N ATOM 916 CA TYR A 69 11.961 -1.604 -3.410 1.00 0.42 C ATOM 917 C TYR A 69 12.161 -0.490 -2.388 1.00 0.40 C ATOM 918 O TYR A 69 11.342 -0.315 -1.486 1.00 0.60 O ATOM 919 CB TYR A 69 10.573 -1.483 -4.057 1.00 0.53 C ATOM 920 CG TYR A 69 10.403 -0.278 -4.964 1.00 0.71 C ATOM 921 CD1 TYR A 69 10.338 1.006 -4.436 1.00 0.61 C ATOM 922 CD2 TYR A 69 10.321 -0.420 -6.344 1.00 1.06 C ATOM 923 CE1 TYR A 69 10.193 2.108 -5.256 1.00 0.78 C ATOM 924 CE2 TYR A 69 10.178 0.677 -7.170 1.00 1.24 C ATOM 925 CZ TYR A 69 10.067 1.924 -6.634 1.00 1.08 C ATOM 926 OH TYR A 69 9.971 3.039 -7.441 1.00 1.27 O ATOM 0 H TYR A 69 11.572 -2.982 -1.887 1.00 0.32 H new ATOM 0 HA TYR A 69 12.720 -1.514 -4.187 1.00 0.42 H new ATOM 0 HB2 TYR A 69 10.375 -2.386 -4.634 1.00 0.53 H new ATOM 0 HB3 TYR A 69 9.822 -1.437 -3.269 1.00 0.53 H new ATOM 0 HD1 TYR A 69 10.402 1.144 -3.367 1.00 0.61 H new ATOM 0 HD2 TYR A 69 10.370 -1.407 -6.779 1.00 1.06 H new ATOM 0 HE1 TYR A 69 10.177 3.102 -4.835 1.00 0.78 H new ATOM 0 HE2 TYR A 69 10.154 0.546 -8.242 1.00 1.24 H new ATOM 0 HH TYR A 69 9.889 2.760 -8.377 1.00 1.27 H new ATOM 936 N LEU A 70 13.241 0.261 -2.529 1.00 0.53 N ATOM 937 CA LEU A 70 13.530 1.350 -1.608 1.00 0.52 C ATOM 938 C LEU A 70 12.573 2.507 -1.878 1.00 0.48 C ATOM 939 O LEU A 70 12.733 3.251 -2.848 1.00 0.75 O ATOM 940 CB LEU A 70 14.996 1.796 -1.762 1.00 0.71 C ATOM 941 CG LEU A 70 15.606 2.592 -0.591 1.00 0.88 C ATOM 942 CD1 LEU A 70 14.968 3.967 -0.449 1.00 1.34 C ATOM 943 CD2 LEU A 70 15.482 1.813 0.711 1.00 1.65 C ATOM 0 H LEU A 70 13.931 0.138 -3.270 1.00 0.53 H new ATOM 0 HA LEU A 70 13.388 1.012 -0.582 1.00 0.52 H new ATOM 0 HB2 LEU A 70 15.606 0.908 -1.924 1.00 0.71 H new ATOM 0 HB3 LEU A 70 15.073 2.404 -2.663 1.00 0.71 H new ATOM 0 HG LEU A 70 16.663 2.739 -0.814 1.00 0.88 H new ATOM 0 HD11 LEU A 70 15.426 4.496 0.387 1.00 1.34 H new ATOM 0 HD12 LEU A 70 15.122 4.536 -1.366 1.00 1.34 H new ATOM 0 HD13 LEU A 70 13.899 3.855 -0.266 1.00 1.34 H new ATOM 0 HD21 LEU A 70 15.919 2.392 1.525 1.00 1.65 H new ATOM 0 HD22 LEU A 70 14.430 1.625 0.924 1.00 1.65 H new ATOM 0 HD23 LEU A 70 16.009 0.863 0.618 1.00 1.65 H new ATOM 955 N GLY A 71 11.568 2.636 -1.028 1.00 0.40 N ATOM 956 CA GLY A 71 10.586 3.683 -1.197 1.00 0.49 C ATOM 957 C GLY A 71 9.185 3.193 -0.911 1.00 0.40 C ATOM 958 O GLY A 71 8.350 3.945 -0.413 1.00 0.43 O ATOM 0 H GLY A 71 11.415 2.031 -0.221 1.00 0.40 H new ATOM 0 HA2 GLY A 71 10.823 4.514 -0.532 1.00 0.49 H new ATOM 0 HA3 GLY A 71 10.636 4.066 -2.216 1.00 0.49 H new ATOM 962 N ASP A 72 8.943 1.921 -1.198 1.00 0.38 N ATOM 963 CA ASP A 72 7.613 1.338 -1.048 1.00 0.36 C ATOM 964 C ASP A 72 7.506 0.600 0.276 1.00 0.42 C ATOM 965 O ASP A 72 8.229 -0.366 0.512 1.00 0.70 O ATOM 966 CB ASP A 72 7.303 0.367 -2.199 1.00 0.47 C ATOM 967 CG ASP A 72 6.872 1.049 -3.490 1.00 1.16 C ATOM 968 OD1 ASP A 72 7.302 2.203 -3.726 1.00 1.80 O ATOM 969 OD2 ASP A 72 6.107 0.448 -4.274 1.00 1.61 O ATOM 0 H ASP A 72 9.651 1.270 -1.537 1.00 0.38 H new ATOM 0 HA ASP A 72 6.888 2.152 -1.071 1.00 0.36 H new ATOM 0 HB2 ASP A 72 8.188 -0.237 -2.398 1.00 0.47 H new ATOM 0 HB3 ASP A 72 6.515 -0.316 -1.881 1.00 0.47 H new ATOM 974 N MET A 73 6.609 1.059 1.139 1.00 0.26 N ATOM 975 CA MET A 73 6.364 0.390 2.409 1.00 0.28 C ATOM 976 C MET A 73 5.043 -0.354 2.331 1.00 0.22 C ATOM 977 O MET A 73 3.988 0.263 2.222 1.00 0.20 O ATOM 978 CB MET A 73 6.308 1.405 3.557 1.00 0.32 C ATOM 979 CG MET A 73 7.512 2.325 3.616 1.00 0.46 C ATOM 980 SD MET A 73 9.080 1.445 3.515 1.00 1.34 S ATOM 981 CE MET A 73 10.240 2.806 3.597 1.00 2.00 C ATOM 0 H MET A 73 6.040 1.891 0.983 1.00 0.26 H new ATOM 0 HA MET A 73 7.179 -0.307 2.602 1.00 0.28 H new ATOM 0 HB2 MET A 73 5.406 2.008 3.454 1.00 0.32 H new ATOM 0 HB3 MET A 73 6.226 0.868 4.502 1.00 0.32 H new ATOM 0 HG2 MET A 73 7.453 3.044 2.799 1.00 0.46 H new ATOM 0 HG3 MET A 73 7.481 2.895 4.545 1.00 0.46 H new ATOM 0 HE1 MET A 73 11.258 2.417 3.600 1.00 2.00 H new ATOM 0 HE2 MET A 73 10.102 3.455 2.732 1.00 2.00 H new ATOM 0 HE3 MET A 73 10.068 3.377 4.510 1.00 2.00 H new ATOM 991 N THR A 74 5.090 -1.671 2.407 1.00 0.23 N ATOM 992 CA THR A 74 3.877 -2.465 2.308 1.00 0.21 C ATOM 993 C THR A 74 3.426 -2.935 3.684 1.00 0.26 C ATOM 994 O THR A 74 4.134 -3.681 4.366 1.00 0.34 O ATOM 995 CB THR A 74 4.059 -3.670 1.361 1.00 0.23 C ATOM 996 OG1 THR A 74 4.450 -3.206 0.058 1.00 0.23 O ATOM 997 CG2 THR A 74 2.770 -4.472 1.241 1.00 0.29 C ATOM 0 H THR A 74 5.946 -2.211 2.536 1.00 0.23 H new ATOM 0 HA THR A 74 3.103 -1.825 1.885 1.00 0.21 H new ATOM 0 HB THR A 74 4.833 -4.315 1.777 1.00 0.23 H new ATOM 0 HG1 THR A 74 5.404 -3.382 -0.079 1.00 0.23 H new ATOM 0 HG21 THR A 74 2.927 -5.315 0.568 1.00 0.29 H new ATOM 0 HG22 THR A 74 2.479 -4.842 2.224 1.00 0.29 H new ATOM 0 HG23 THR A 74 1.980 -3.834 0.845 1.00 0.29 H new ATOM 1005 N GLY A 75 2.255 -2.472 4.090 1.00 0.27 N ATOM 1006 CA GLY A 75 1.718 -2.825 5.384 1.00 0.32 C ATOM 1007 C GLY A 75 0.347 -3.456 5.268 1.00 0.24 C ATOM 1008 O GLY A 75 -0.372 -3.207 4.298 1.00 0.25 O ATOM 0 H GLY A 75 1.662 -1.851 3.539 1.00 0.27 H new ATOM 0 HA2 GLY A 75 2.396 -3.517 5.883 1.00 0.32 H new ATOM 0 HA3 GLY A 75 1.657 -1.933 6.008 1.00 0.32 H new ATOM 1012 N SER A 76 -0.015 -4.279 6.242 1.00 0.38 N ATOM 1013 CA SER A 76 -1.315 -4.936 6.239 1.00 0.50 C ATOM 1014 C SER A 76 -2.402 -3.942 6.641 1.00 0.61 C ATOM 1015 O SER A 76 -2.114 -2.894 7.226 1.00 1.52 O ATOM 1016 CB SER A 76 -1.308 -6.134 7.195 1.00 0.73 C ATOM 1017 OG SER A 76 -2.471 -6.930 7.023 1.00 1.40 O ATOM 0 H SER A 76 0.572 -4.508 7.044 1.00 0.38 H new ATOM 0 HA SER A 76 -1.525 -5.299 5.233 1.00 0.50 H new ATOM 0 HB2 SER A 76 -0.419 -6.740 7.018 1.00 0.73 H new ATOM 0 HB3 SER A 76 -1.254 -5.781 8.225 1.00 0.73 H new ATOM 0 HG SER A 76 -2.443 -7.689 7.643 1.00 1.40 H new ATOM 1023 N ARG A 77 -3.649 -4.276 6.321 1.00 0.62 N ATOM 1024 CA ARG A 77 -4.776 -3.389 6.592 1.00 0.54 C ATOM 1025 C ARG A 77 -5.097 -3.329 8.086 1.00 0.64 C ATOM 1026 O ARG A 77 -5.956 -4.061 8.583 1.00 1.08 O ATOM 1027 CB ARG A 77 -6.014 -3.821 5.790 1.00 0.59 C ATOM 1028 CG ARG A 77 -6.438 -5.261 6.004 1.00 1.14 C ATOM 1029 CD ARG A 77 -7.797 -5.517 5.380 1.00 1.04 C ATOM 1030 NE ARG A 77 -8.825 -4.628 5.918 1.00 1.78 N ATOM 1031 CZ ARG A 77 -10.045 -4.494 5.401 1.00 2.04 C ATOM 1032 NH1 ARG A 77 -10.385 -5.149 4.295 1.00 1.93 N ATOM 1033 NH2 ARG A 77 -10.921 -3.687 5.984 1.00 2.94 N ATOM 0 H ARG A 77 -3.905 -5.156 5.873 1.00 0.62 H new ATOM 0 HA ARG A 77 -4.489 -2.387 6.274 1.00 0.54 H new ATOM 0 HB2 ARG A 77 -6.846 -3.169 6.054 1.00 0.59 H new ATOM 0 HB3 ARG A 77 -5.814 -3.669 4.729 1.00 0.59 H new ATOM 0 HG2 ARG A 77 -5.699 -5.932 5.566 1.00 1.14 H new ATOM 0 HG3 ARG A 77 -6.475 -5.480 7.071 1.00 1.14 H new ATOM 0 HD2 ARG A 77 -7.731 -5.383 4.300 1.00 1.04 H new ATOM 0 HD3 ARG A 77 -8.087 -6.553 5.555 1.00 1.04 H new ATOM 0 HE ARG A 77 -8.593 -4.074 6.743 1.00 1.78 H new ATOM 0 HH11 ARG A 77 -9.709 -5.760 3.836 1.00 1.93 H new ATOM 0 HH12 ARG A 77 -11.322 -5.041 3.906 1.00 1.93 H new ATOM 0 HH21 ARG A 77 -10.659 -3.172 6.825 1.00 2.94 H new ATOM 0 HH22 ARG A 77 -11.857 -3.581 5.592 1.00 2.94 H new ATOM 1047 N THR A 78 -4.386 -2.456 8.790 1.00 0.91 N ATOM 1048 CA THR A 78 -4.613 -2.223 10.209 1.00 1.05 C ATOM 1049 C THR A 78 -4.317 -3.486 11.020 1.00 1.42 C ATOM 1050 O THR A 78 -5.209 -4.279 11.327 1.00 2.15 O ATOM 1051 CB THR A 78 -6.054 -1.737 10.467 1.00 1.57 C ATOM 1052 OG1 THR A 78 -6.362 -0.659 9.567 1.00 2.50 O ATOM 1053 CG2 THR A 78 -6.223 -1.258 11.902 1.00 2.05 C ATOM 0 H THR A 78 -3.636 -1.890 8.392 1.00 0.91 H new ATOM 0 HA THR A 78 -3.929 -1.439 10.533 1.00 1.05 H new ATOM 0 HB THR A 78 -6.733 -2.573 10.300 1.00 1.57 H new ATOM 0 HG1 THR A 78 -7.136 -0.162 9.905 1.00 2.50 H new ATOM 0 HG21 THR A 78 -7.248 -0.921 12.055 1.00 2.05 H new ATOM 0 HG22 THR A 78 -6.004 -2.077 12.587 1.00 2.05 H new ATOM 0 HG23 THR A 78 -5.538 -0.432 12.093 1.00 2.05 H new ATOM 1061 N CYS A 79 -3.051 -3.669 11.349 1.00 1.67 N ATOM 1062 CA CYS A 79 -2.611 -4.846 12.077 1.00 2.22 C ATOM 1063 C CYS A 79 -2.050 -4.456 13.437 1.00 2.94 C ATOM 1064 O CYS A 79 -2.680 -4.793 14.459 1.00 3.37 O ATOM 1065 CB CYS A 79 -1.570 -5.613 11.256 1.00 2.48 C ATOM 1066 SG CYS A 79 -0.213 -4.574 10.614 1.00 2.56 S ATOM 0 H CYS A 79 -2.304 -3.012 11.122 1.00 1.67 H new ATOM 0 HA CYS A 79 -3.469 -5.498 12.242 1.00 2.22 H new ATOM 0 HB2 CYS A 79 -1.146 -6.404 11.875 1.00 2.48 H new ATOM 0 HB3 CYS A 79 -2.070 -6.098 10.417 1.00 2.48 H new TER 1071 CYS A 79