USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 602 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 6 TYR OH : rot -29:sc= 1.15 USER MOD Set 1.2: A 42 LYS NZ :NH3+ 172:sc= 1.61 (180deg=1.07) USER MOD Set 2.1: A 20 ASN : amide:sc= -1.51 K(o=-2.1,f=-0.56) USER MOD Set 2.2: A 24 ASN : amide:sc= -0.629 K(o=-2.1,f=-0.56) USER MOD Set 3.1: A 8 GLN : amide:sc= 1.77 K(o=1.6,f=-0.38) USER MOD Set 3.2: A 12 MET CE :methyl -153:sc= -0.121 (180deg=-0.286) USER MOD Single : A 1 ASN : amide:sc= 0.559 K(o=0.56,f=-6.6!) USER MOD Single : A 1 ASN N :NH3+ 156:sc= 1.19 (180deg=0.813) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0131 USER MOD Single : A 3 SER OG : rot -85:sc= 0.65 USER MOD Single : A 4 LYS NZ :NH3+ 159:sc= 1.19 (180deg=0.874) USER MOD Single : A 5 CYS SG : rot 81:sc= 0.863 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0295 USER MOD Single : A 16 SER OG : rot 180:sc= -0.038 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0208 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot -130:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.63 K(o=-1.6,f=-5!) USER MOD Single : A 53 GLN : amide:sc= -0.702 K(o=-0.7,f=-0.16) USER MOD Single : A 56 MET CE :methyl 177:sc= 0 (180deg=-0.036) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0933 USER MOD Single : A 73 ASN : amide:sc= 1.13 K(o=1.1,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 2.397 15.245 -11.226 1.00 4.43 N ATOM 2 CA ASN A 1 1.001 14.770 -11.167 1.00 3.45 C ATOM 3 C ASN A 1 0.951 13.651 -10.141 1.00 3.03 C ATOM 4 O ASN A 1 1.968 12.975 -9.989 1.00 3.97 O ATOM 5 CB ASN A 1 0.501 14.257 -12.530 1.00 4.55 C ATOM 6 CG ASN A 1 0.652 15.304 -13.631 1.00 5.33 C ATOM 7 OD1 ASN A 1 1.508 16.179 -13.520 1.00 5.31 O ATOM 8 ND2 ASN A 1 -0.148 15.225 -14.688 1.00 6.50 N ATOM 0 H1 ASN A 1 2.573 15.692 -12.148 1.00 4.43 H new ATOM 0 H2 ASN A 1 2.560 15.939 -10.468 1.00 4.43 H new ATOM 0 H3 ASN A 1 3.043 14.440 -11.103 1.00 4.43 H new ATOM 0 HA ASN A 1 0.349 15.599 -10.890 1.00 3.45 H new ATOM 0 HB2 ASN A 1 1.057 13.360 -12.805 1.00 4.55 H new ATOM 0 HB3 ASN A 1 -0.547 13.969 -12.446 1.00 4.55 H new ATOM 0 HD21 ASN A 1 -0.064 15.905 -15.443 1.00 6.50 H new ATOM 0 HD22 ASN A 1 -0.847 14.484 -14.744 1.00 6.50 H new ATOM 17 N SER A 2 -0.182 13.471 -9.459 1.00 2.40 N ATOM 18 CA SER A 2 -0.337 12.494 -8.393 1.00 2.02 C ATOM 19 C SER A 2 -1.768 11.966 -8.421 1.00 2.12 C ATOM 20 O SER A 2 -2.633 12.608 -9.013 1.00 3.02 O ATOM 21 CB SER A 2 -0.011 13.140 -7.041 1.00 1.98 C ATOM 22 OG SER A 2 1.256 13.771 -7.088 1.00 2.87 O ATOM 0 H SER A 2 -1.028 14.012 -9.639 1.00 2.40 H new ATOM 0 HA SER A 2 0.352 11.662 -8.538 1.00 2.02 H new ATOM 0 HB2 SER A 2 -0.779 13.870 -6.785 1.00 1.98 H new ATOM 0 HB3 SER A 2 -0.018 12.382 -6.258 1.00 1.98 H new ATOM 0 HG SER A 2 1.450 14.180 -6.219 1.00 2.87 H new ATOM 28 N SER A 3 -2.019 10.821 -7.782 1.00 1.33 N ATOM 29 CA SER A 3 -3.362 10.300 -7.567 1.00 1.15 C ATOM 30 C SER A 3 -3.431 9.666 -6.185 1.00 0.82 C ATOM 31 O SER A 3 -2.403 9.456 -5.538 1.00 0.76 O ATOM 32 CB SER A 3 -3.741 9.280 -8.651 1.00 1.27 C ATOM 33 OG SER A 3 -5.107 8.910 -8.536 1.00 2.55 O ATOM 0 H SER A 3 -1.285 10.227 -7.397 1.00 1.33 H new ATOM 0 HA SER A 3 -4.077 11.120 -7.629 1.00 1.15 H new ATOM 0 HB2 SER A 3 -3.556 9.705 -9.638 1.00 1.27 H new ATOM 0 HB3 SER A 3 -3.111 8.395 -8.561 1.00 1.27 H new ATOM 0 HG SER A 3 -5.197 8.191 -7.877 1.00 2.55 H new ATOM 39 N LYS A 4 -4.658 9.344 -5.773 1.00 0.87 N ATOM 40 CA LYS A 4 -4.965 8.441 -4.683 1.00 0.79 C ATOM 41 C LYS A 4 -5.443 7.126 -5.305 1.00 0.86 C ATOM 42 O LYS A 4 -5.870 7.137 -6.461 1.00 1.27 O ATOM 43 CB LYS A 4 -6.033 9.095 -3.794 1.00 1.13 C ATOM 44 CG LYS A 4 -6.034 8.500 -2.384 1.00 1.18 C ATOM 45 CD LYS A 4 -7.144 9.121 -1.533 1.00 1.64 C ATOM 46 CE LYS A 4 -7.022 8.566 -0.106 1.00 3.02 C ATOM 47 NZ LYS A 4 -8.157 8.933 0.763 1.00 3.74 N ATOM 0 H LYS A 4 -5.495 9.726 -6.214 1.00 0.87 H new ATOM 0 HA LYS A 4 -4.100 8.234 -4.053 1.00 0.79 H new ATOM 0 HB2 LYS A 4 -5.852 10.168 -3.736 1.00 1.13 H new ATOM 0 HB3 LYS A 4 -7.016 8.961 -4.247 1.00 1.13 H new ATOM 0 HG2 LYS A 4 -6.173 7.420 -2.440 1.00 1.18 H new ATOM 0 HG3 LYS A 4 -5.067 8.672 -1.911 1.00 1.18 H new ATOM 0 HD2 LYS A 4 -7.056 10.207 -1.527 1.00 1.64 H new ATOM 0 HD3 LYS A 4 -8.122 8.883 -1.951 1.00 1.64 H new ATOM 0 HE2 LYS A 4 -6.945 7.480 -0.152 1.00 3.02 H new ATOM 0 HE3 LYS A 4 -6.098 8.933 0.341 1.00 3.02 H new ATOM 0 HZ1 LYS A 4 -8.211 8.270 1.562 1.00 3.74 H new ATOM 0 HZ2 LYS A 4 -8.020 9.899 1.123 1.00 3.74 H new ATOM 0 HZ3 LYS A 4 -9.041 8.889 0.217 1.00 3.74 H new ATOM 61 N CYS A 5 -5.369 6.011 -4.569 1.00 0.66 N ATOM 62 CA CYS A 5 -6.025 4.759 -4.947 1.00 0.69 C ATOM 63 C CYS A 5 -6.268 3.920 -3.685 1.00 0.68 C ATOM 64 O CYS A 5 -5.591 4.132 -2.676 1.00 0.67 O ATOM 65 CB CYS A 5 -5.197 4.010 -6.001 1.00 0.75 C ATOM 66 SG CYS A 5 -6.139 2.604 -6.627 1.00 1.36 S ATOM 0 H CYS A 5 -4.850 5.954 -3.692 1.00 0.66 H new ATOM 0 HA CYS A 5 -6.991 4.967 -5.406 1.00 0.69 H new ATOM 0 HB2 CYS A 5 -4.940 4.682 -6.820 1.00 0.75 H new ATOM 0 HB3 CYS A 5 -4.259 3.666 -5.564 1.00 0.75 H new ATOM 0 HG CYS A 5 -6.980 3.013 -7.530 1.00 1.36 H new ATOM 72 N TYR A 6 -7.261 3.023 -3.703 1.00 0.74 N ATOM 73 CA TYR A 6 -7.659 2.168 -2.592 1.00 0.77 C ATOM 74 C TYR A 6 -7.200 0.742 -2.881 1.00 0.71 C ATOM 75 O TYR A 6 -7.374 0.228 -3.987 1.00 0.82 O ATOM 76 CB TYR A 6 -9.184 2.196 -2.423 1.00 0.93 C ATOM 77 CG TYR A 6 -9.787 3.323 -1.604 1.00 0.84 C ATOM 78 CD1 TYR A 6 -9.054 4.481 -1.283 1.00 1.81 C ATOM 79 CD2 TYR A 6 -11.077 3.150 -1.067 1.00 2.13 C ATOM 80 CE1 TYR A 6 -9.535 5.363 -0.301 1.00 1.80 C ATOM 81 CE2 TYR A 6 -11.566 4.047 -0.102 1.00 2.31 C ATOM 82 CZ TYR A 6 -10.766 5.118 0.324 1.00 1.25 C ATOM 83 OH TYR A 6 -11.048 5.721 1.512 1.00 1.86 O ATOM 0 H TYR A 6 -7.832 2.871 -4.534 1.00 0.74 H new ATOM 0 HA TYR A 6 -7.200 2.529 -1.672 1.00 0.77 H new ATOM 0 HB2 TYR A 6 -9.630 2.229 -3.417 1.00 0.93 H new ATOM 0 HB3 TYR A 6 -9.488 1.253 -1.969 1.00 0.93 H new ATOM 0 HD1 TYR A 6 -8.124 4.691 -1.790 1.00 1.81 H new ATOM 0 HD2 TYR A 6 -11.692 2.326 -1.397 1.00 2.13 H new ATOM 0 HE1 TYR A 6 -8.955 6.232 -0.027 1.00 1.80 H new ATOM 0 HE2 TYR A 6 -12.555 3.912 0.311 1.00 2.31 H new ATOM 0 HH TYR A 6 -10.215 5.884 2.002 1.00 1.86 H new ATOM 93 N ILE A 7 -6.621 0.106 -1.868 1.00 0.67 N ATOM 94 CA ILE A 7 -5.996 -1.197 -1.924 1.00 0.64 C ATOM 95 C ILE A 7 -6.613 -1.996 -0.771 1.00 0.78 C ATOM 96 O ILE A 7 -6.864 -1.459 0.310 1.00 1.21 O ATOM 97 CB ILE A 7 -4.458 -1.068 -1.804 1.00 0.66 C ATOM 98 CG1 ILE A 7 -3.842 0.189 -2.457 1.00 1.10 C ATOM 99 CG2 ILE A 7 -3.760 -2.322 -2.353 1.00 0.71 C ATOM 100 CD1 ILE A 7 -3.869 0.182 -3.989 1.00 2.11 C ATOM 0 H ILE A 7 -6.577 0.516 -0.935 1.00 0.67 H new ATOM 0 HA ILE A 7 -6.170 -1.703 -2.874 1.00 0.64 H new ATOM 0 HB ILE A 7 -4.283 -0.961 -0.734 1.00 0.66 H new ATOM 0 HG12 ILE A 7 -4.377 1.069 -2.100 1.00 1.10 H new ATOM 0 HG13 ILE A 7 -2.809 0.288 -2.124 1.00 1.10 H new ATOM 0 HG21 ILE A 7 -2.680 -2.208 -2.258 1.00 0.71 H new ATOM 0 HG22 ILE A 7 -4.084 -3.196 -1.788 1.00 0.71 H new ATOM 0 HG23 ILE A 7 -4.020 -2.453 -3.403 1.00 0.71 H new ATOM 0 HD11 ILE A 7 -3.418 1.100 -4.365 1.00 2.11 H new ATOM 0 HD12 ILE A 7 -3.308 -0.676 -4.359 1.00 2.11 H new ATOM 0 HD13 ILE A 7 -4.901 0.117 -4.334 1.00 2.11 H new ATOM 112 N GLN A 8 -6.911 -3.271 -0.988 1.00 0.62 N ATOM 113 CA GLN A 8 -7.494 -4.146 -0.027 1.00 0.73 C ATOM 114 C GLN A 8 -6.399 -5.162 0.286 1.00 0.77 C ATOM 115 O GLN A 8 -5.879 -5.816 -0.618 1.00 0.92 O ATOM 116 CB GLN A 8 -8.732 -4.740 -0.695 1.00 0.99 C ATOM 117 CG GLN A 8 -9.319 -5.804 0.206 1.00 1.31 C ATOM 118 CD GLN A 8 -9.789 -5.198 1.528 1.00 2.01 C ATOM 119 OE1 GLN A 8 -10.752 -4.441 1.551 1.00 2.62 O ATOM 120 NE2 GLN A 8 -9.089 -5.464 2.623 1.00 2.89 N ATOM 0 H GLN A 8 -6.738 -3.726 -1.884 1.00 0.62 H new ATOM 0 HA GLN A 8 -7.820 -3.692 0.909 1.00 0.73 H new ATOM 0 HB2 GLN A 8 -9.469 -3.959 -0.884 1.00 0.99 H new ATOM 0 HB3 GLN A 8 -8.468 -5.169 -1.661 1.00 0.99 H new ATOM 0 HG2 GLN A 8 -10.157 -6.289 -0.295 1.00 1.31 H new ATOM 0 HG3 GLN A 8 -8.573 -6.575 0.399 1.00 1.31 H new ATOM 0 HE21 GLN A 8 -8.291 -6.098 2.577 1.00 2.89 H new ATOM 0 HE22 GLN A 8 -9.348 -5.035 3.511 1.00 2.89 H new ATOM 129 N VAL A 9 -6.040 -5.263 1.563 1.00 0.82 N ATOM 130 CA VAL A 9 -5.035 -6.191 2.064 1.00 0.98 C ATOM 131 C VAL A 9 -5.743 -7.335 2.789 1.00 1.26 C ATOM 132 O VAL A 9 -6.963 -7.294 2.951 1.00 1.77 O ATOM 133 CB VAL A 9 -4.018 -5.448 2.950 1.00 1.11 C ATOM 134 CG1 VAL A 9 -3.142 -4.525 2.093 1.00 1.66 C ATOM 135 CG2 VAL A 9 -4.693 -4.633 4.062 1.00 2.56 C ATOM 0 H VAL A 9 -6.452 -4.686 2.296 1.00 0.82 H new ATOM 0 HA VAL A 9 -4.462 -6.622 1.243 1.00 0.98 H new ATOM 0 HB VAL A 9 -3.400 -6.208 3.429 1.00 1.11 H new ATOM 0 HG11 VAL A 9 -2.427 -4.006 2.731 1.00 1.66 H new ATOM 0 HG12 VAL A 9 -2.604 -5.118 1.353 1.00 1.66 H new ATOM 0 HG13 VAL A 9 -3.772 -3.795 1.584 1.00 1.66 H new ATOM 0 HG21 VAL A 9 -3.931 -4.129 4.657 1.00 2.56 H new ATOM 0 HG22 VAL A 9 -5.356 -3.891 3.618 1.00 2.56 H new ATOM 0 HG23 VAL A 9 -5.271 -5.300 4.702 1.00 2.56 H new ATOM 145 N THR A 10 -4.994 -8.364 3.198 1.00 1.47 N ATOM 146 CA THR A 10 -5.546 -9.581 3.783 1.00 1.64 C ATOM 147 C THR A 10 -4.765 -9.993 5.034 1.00 1.76 C ATOM 148 O THR A 10 -3.841 -10.798 4.953 1.00 1.96 O ATOM 149 CB THR A 10 -5.624 -10.687 2.711 1.00 1.81 C ATOM 150 OG1 THR A 10 -5.796 -11.956 3.306 1.00 3.04 O ATOM 151 CG2 THR A 10 -4.398 -10.745 1.792 1.00 1.90 C ATOM 0 H THR A 10 -3.976 -8.371 3.130 1.00 1.47 H new ATOM 0 HA THR A 10 -6.565 -9.396 4.123 1.00 1.64 H new ATOM 0 HB THR A 10 -6.487 -10.427 2.098 1.00 1.81 H new ATOM 0 HG1 THR A 10 -5.844 -12.641 2.607 1.00 3.04 H new ATOM 0 HG21 THR A 10 -4.526 -11.547 1.065 1.00 1.90 H new ATOM 0 HG22 THR A 10 -4.290 -9.795 1.269 1.00 1.90 H new ATOM 0 HG23 THR A 10 -3.505 -10.935 2.388 1.00 1.90 H new ATOM 159 N GLY A 11 -5.185 -9.471 6.189 1.00 2.06 N ATOM 160 CA GLY A 11 -4.666 -9.813 7.506 1.00 2.17 C ATOM 161 C GLY A 11 -4.920 -8.625 8.426 1.00 2.46 C ATOM 162 O GLY A 11 -5.733 -8.704 9.345 1.00 3.80 O ATOM 0 H GLY A 11 -5.926 -8.771 6.229 1.00 2.06 H new ATOM 0 HA2 GLY A 11 -5.157 -10.707 7.891 1.00 2.17 H new ATOM 0 HA3 GLY A 11 -3.600 -10.034 7.452 1.00 2.17 H new ATOM 166 N MET A 12 -4.298 -7.491 8.088 1.00 1.73 N ATOM 167 CA MET A 12 -4.507 -6.174 8.677 1.00 1.88 C ATOM 168 C MET A 12 -4.048 -6.141 10.137 1.00 2.25 C ATOM 169 O MET A 12 -3.022 -5.542 10.455 1.00 2.62 O ATOM 170 CB MET A 12 -5.967 -5.717 8.550 1.00 2.11 C ATOM 171 CG MET A 12 -6.607 -5.942 7.174 1.00 1.76 C ATOM 172 SD MET A 12 -8.312 -6.538 7.283 1.00 2.60 S ATOM 173 CE MET A 12 -8.595 -6.942 5.556 1.00 3.73 C ATOM 0 H MET A 12 -3.593 -7.472 7.351 1.00 1.73 H new ATOM 0 HA MET A 12 -3.895 -5.470 8.114 1.00 1.88 H new ATOM 0 HB2 MET A 12 -6.561 -6.241 9.299 1.00 2.11 H new ATOM 0 HB3 MET A 12 -6.020 -4.655 8.788 1.00 2.11 H new ATOM 0 HG2 MET A 12 -6.589 -5.008 6.613 1.00 1.76 H new ATOM 0 HG3 MET A 12 -6.010 -6.662 6.614 1.00 1.76 H new ATOM 0 HE1 MET A 12 -9.659 -6.862 5.333 1.00 3.73 H new ATOM 0 HE2 MET A 12 -8.039 -6.249 4.924 1.00 3.73 H new ATOM 0 HE3 MET A 12 -8.259 -7.960 5.361 1.00 3.73 H new ATOM 183 N THR A 13 -4.792 -6.796 11.031 1.00 2.69 N ATOM 184 CA THR A 13 -4.458 -6.928 12.437 1.00 3.22 C ATOM 185 C THR A 13 -3.409 -8.031 12.585 1.00 2.60 C ATOM 186 O THR A 13 -3.595 -8.975 13.353 1.00 3.13 O ATOM 187 CB THR A 13 -5.743 -7.245 13.216 1.00 4.14 C ATOM 188 OG1 THR A 13 -6.400 -8.345 12.619 1.00 4.63 O ATOM 189 CG2 THR A 13 -6.701 -6.051 13.210 1.00 5.05 C ATOM 0 H THR A 13 -5.666 -7.259 10.783 1.00 2.69 H new ATOM 0 HA THR A 13 -4.038 -6.006 12.839 1.00 3.22 H new ATOM 0 HB THR A 13 -5.463 -7.474 14.244 1.00 4.14 H new ATOM 0 HG1 THR A 13 -7.219 -8.547 13.118 1.00 4.63 H new ATOM 0 HG21 THR A 13 -7.602 -6.304 13.769 1.00 5.05 H new ATOM 0 HG22 THR A 13 -6.215 -5.193 13.674 1.00 5.05 H new ATOM 0 HG23 THR A 13 -6.969 -5.805 12.183 1.00 5.05 H new ATOM 197 N CYS A 14 -2.326 -7.909 11.822 1.00 1.88 N ATOM 198 CA CYS A 14 -1.180 -8.787 11.871 1.00 1.41 C ATOM 199 C CYS A 14 -0.173 -8.188 12.843 1.00 1.52 C ATOM 200 O CYS A 14 -0.326 -7.048 13.288 1.00 2.76 O ATOM 201 CB CYS A 14 -0.534 -8.831 10.492 1.00 1.58 C ATOM 202 SG CYS A 14 -1.729 -9.266 9.214 1.00 2.73 S ATOM 0 H CYS A 14 -2.227 -7.166 11.130 1.00 1.88 H new ATOM 0 HA CYS A 14 -1.481 -9.788 12.180 1.00 1.41 H new ATOM 0 HB2 CYS A 14 -0.094 -7.860 10.264 1.00 1.58 H new ATOM 0 HB3 CYS A 14 0.279 -9.557 10.493 1.00 1.58 H new ATOM 207 N ALA A 15 0.927 -8.902 13.080 1.00 1.95 N ATOM 208 CA ALA A 15 2.066 -8.312 13.756 1.00 2.58 C ATOM 209 C ALA A 15 2.824 -7.394 12.802 1.00 2.41 C ATOM 210 O ALA A 15 3.927 -7.703 12.355 1.00 3.35 O ATOM 211 CB ALA A 15 2.950 -9.406 14.360 1.00 3.34 C ATOM 0 H ALA A 15 1.047 -9.879 12.814 1.00 1.95 H new ATOM 0 HA ALA A 15 1.722 -7.694 14.585 1.00 2.58 H new ATOM 0 HB1 ALA A 15 3.801 -8.949 14.864 1.00 3.34 H new ATOM 0 HB2 ALA A 15 2.371 -9.986 15.079 1.00 3.34 H new ATOM 0 HB3 ALA A 15 3.308 -10.063 13.568 1.00 3.34 H new ATOM 217 N SER A 16 2.223 -6.236 12.530 1.00 1.75 N ATOM 218 CA SER A 16 2.919 -5.065 12.016 1.00 1.76 C ATOM 219 C SER A 16 3.289 -5.187 10.533 1.00 1.99 C ATOM 220 O SER A 16 4.191 -4.498 10.056 1.00 2.40 O ATOM 221 CB SER A 16 4.147 -4.771 12.878 1.00 2.06 C ATOM 222 OG SER A 16 3.887 -5.014 14.251 1.00 2.46 O ATOM 0 H SER A 16 1.223 -6.087 12.664 1.00 1.75 H new ATOM 0 HA SER A 16 2.229 -4.223 12.077 1.00 1.76 H new ATOM 0 HB2 SER A 16 4.981 -5.391 12.549 1.00 2.06 H new ATOM 0 HB3 SER A 16 4.449 -3.732 12.742 1.00 2.06 H new ATOM 0 HG SER A 16 4.691 -4.819 14.776 1.00 2.46 H new ATOM 228 N CYS A 17 2.515 -5.979 9.787 1.00 1.96 N ATOM 229 CA CYS A 17 2.384 -5.874 8.338 1.00 2.10 C ATOM 230 C CYS A 17 2.234 -4.406 7.961 1.00 1.76 C ATOM 231 O CYS A 17 2.851 -3.905 7.023 1.00 1.80 O ATOM 232 CB CYS A 17 1.126 -6.640 7.913 1.00 2.27 C ATOM 233 SG CYS A 17 1.451 -8.410 8.098 1.00 3.08 S ATOM 0 H CYS A 17 1.950 -6.728 10.187 1.00 1.96 H new ATOM 0 HA CYS A 17 3.262 -6.289 7.842 1.00 2.10 H new ATOM 0 HB2 CYS A 17 0.275 -6.344 8.527 1.00 2.27 H new ATOM 0 HB3 CYS A 17 0.870 -6.407 6.879 1.00 2.27 H new ATOM 238 N VAL A 18 1.409 -3.724 8.749 1.00 1.50 N ATOM 239 CA VAL A 18 1.066 -2.338 8.570 1.00 1.32 C ATOM 240 C VAL A 18 2.306 -1.470 8.731 1.00 1.13 C ATOM 241 O VAL A 18 2.649 -0.725 7.825 1.00 1.11 O ATOM 242 CB VAL A 18 -0.101 -1.981 9.497 1.00 1.43 C ATOM 243 CG1 VAL A 18 -1.291 -2.895 9.192 1.00 2.84 C ATOM 244 CG2 VAL A 18 0.186 -2.046 10.995 1.00 2.29 C ATOM 0 H VAL A 18 0.950 -4.147 9.556 1.00 1.50 H new ATOM 0 HA VAL A 18 0.712 -2.144 7.557 1.00 1.32 H new ATOM 0 HB VAL A 18 -0.308 -0.932 9.284 1.00 1.43 H new ATOM 0 HG11 VAL A 18 -2.122 -2.642 9.851 1.00 2.84 H new ATOM 0 HG12 VAL A 18 -1.596 -2.761 8.154 1.00 2.84 H new ATOM 0 HG13 VAL A 18 -1.003 -3.934 9.354 1.00 2.84 H new ATOM 0 HG21 VAL A 18 -0.712 -1.773 11.550 1.00 2.29 H new ATOM 0 HG22 VAL A 18 0.485 -3.059 11.264 1.00 2.29 H new ATOM 0 HG23 VAL A 18 0.990 -1.352 11.242 1.00 2.29 H new ATOM 254 N ALA A 19 3.046 -1.655 9.823 1.00 1.12 N ATOM 255 CA ALA A 19 4.336 -1.011 10.025 1.00 1.12 C ATOM 256 C ALA A 19 5.263 -1.257 8.834 1.00 1.19 C ATOM 257 O ALA A 19 5.939 -0.341 8.368 1.00 1.17 O ATOM 258 CB ALA A 19 4.977 -1.527 11.311 1.00 1.29 C ATOM 0 H ALA A 19 2.763 -2.259 10.594 1.00 1.12 H new ATOM 0 HA ALA A 19 4.176 0.064 10.111 1.00 1.12 H new ATOM 0 HB1 ALA A 19 5.942 -1.042 11.457 1.00 1.29 H new ATOM 0 HB2 ALA A 19 4.327 -1.303 12.157 1.00 1.29 H new ATOM 0 HB3 ALA A 19 5.120 -2.605 11.239 1.00 1.29 H new ATOM 264 N ASN A 20 5.304 -2.498 8.335 1.00 1.36 N ATOM 265 CA ASN A 20 6.060 -2.825 7.129 1.00 1.49 C ATOM 266 C ASN A 20 5.582 -1.941 5.978 1.00 1.33 C ATOM 267 O ASN A 20 6.391 -1.290 5.325 1.00 1.34 O ATOM 268 CB ASN A 20 5.984 -4.332 6.818 1.00 1.75 C ATOM 269 CG ASN A 20 5.959 -4.681 5.326 1.00 1.97 C ATOM 270 OD1 ASN A 20 6.958 -5.102 4.755 1.00 2.23 O ATOM 271 ND2 ASN A 20 4.806 -4.548 4.677 1.00 2.00 N ATOM 0 H ASN A 20 4.819 -3.292 8.753 1.00 1.36 H new ATOM 0 HA ASN A 20 7.118 -2.614 7.285 1.00 1.49 H new ATOM 0 HB2 ASN A 20 6.839 -4.827 7.278 1.00 1.75 H new ATOM 0 HB3 ASN A 20 5.089 -4.741 7.287 1.00 1.75 H new ATOM 0 HD21 ASN A 20 4.745 -4.798 3.690 1.00 2.00 H new ATOM 0 HD22 ASN A 20 3.983 -4.196 5.166 1.00 2.00 H new ATOM 278 N ILE A 21 4.268 -1.892 5.757 1.00 1.22 N ATOM 279 CA ILE A 21 3.663 -1.111 4.697 1.00 1.17 C ATOM 280 C ILE A 21 4.050 0.367 4.879 1.00 0.90 C ATOM 281 O ILE A 21 4.751 0.913 4.033 1.00 0.85 O ATOM 282 CB ILE A 21 2.159 -1.456 4.602 1.00 1.32 C ATOM 283 CG1 ILE A 21 1.979 -2.866 3.993 1.00 1.68 C ATOM 284 CG2 ILE A 21 1.378 -0.469 3.748 1.00 1.54 C ATOM 285 CD1 ILE A 21 0.554 -3.215 3.552 1.00 2.10 C ATOM 0 H ILE A 21 3.591 -2.404 6.322 1.00 1.22 H new ATOM 0 HA ILE A 21 4.045 -1.360 3.707 1.00 1.17 H new ATOM 0 HB ILE A 21 1.769 -1.411 5.619 1.00 1.32 H new ATOM 0 HG12 ILE A 21 2.640 -2.958 3.132 1.00 1.68 H new ATOM 0 HG13 ILE A 21 2.305 -3.604 4.726 1.00 1.68 H new ATOM 0 HG21 ILE A 21 0.329 -0.764 3.719 1.00 1.54 H new ATOM 0 HG22 ILE A 21 1.463 0.530 4.177 1.00 1.54 H new ATOM 0 HG23 ILE A 21 1.782 -0.465 2.736 1.00 1.54 H new ATOM 0 HD11 ILE A 21 0.538 -4.224 3.140 1.00 2.10 H new ATOM 0 HD12 ILE A 21 -0.116 -3.163 4.410 1.00 2.10 H new ATOM 0 HD13 ILE A 21 0.225 -2.507 2.791 1.00 2.10 H new ATOM 297 N GLU A 22 3.693 1.003 5.994 1.00 0.81 N ATOM 298 CA GLU A 22 4.131 2.341 6.368 1.00 0.73 C ATOM 299 C GLU A 22 5.607 2.586 6.027 1.00 0.72 C ATOM 300 O GLU A 22 5.927 3.529 5.306 1.00 0.82 O ATOM 301 CB GLU A 22 3.847 2.540 7.860 1.00 0.86 C ATOM 302 CG GLU A 22 2.335 2.575 8.145 1.00 1.33 C ATOM 303 CD GLU A 22 1.994 1.950 9.493 1.00 2.58 C ATOM 304 OE1 GLU A 22 2.770 2.195 10.441 1.00 3.17 O ATOM 305 OE2 GLU A 22 0.970 1.235 9.551 1.00 3.63 O ATOM 0 H GLU A 22 3.069 0.584 6.684 1.00 0.81 H new ATOM 0 HA GLU A 22 3.574 3.077 5.788 1.00 0.73 H new ATOM 0 HB2 GLU A 22 4.307 1.733 8.430 1.00 0.86 H new ATOM 0 HB3 GLU A 22 4.304 3.470 8.198 1.00 0.86 H new ATOM 0 HG2 GLU A 22 1.986 3.607 8.125 1.00 1.33 H new ATOM 0 HG3 GLU A 22 1.805 2.044 7.355 1.00 1.33 H new ATOM 312 N ARG A 23 6.514 1.732 6.508 1.00 0.81 N ATOM 313 CA ARG A 23 7.934 1.864 6.207 1.00 1.01 C ATOM 314 C ARG A 23 8.222 1.785 4.708 1.00 1.08 C ATOM 315 O ARG A 23 9.022 2.566 4.195 1.00 1.26 O ATOM 316 CB ARG A 23 8.733 0.792 6.937 1.00 1.26 C ATOM 317 CG ARG A 23 8.843 1.080 8.422 1.00 1.55 C ATOM 318 CD ARG A 23 9.593 -0.085 9.055 1.00 2.77 C ATOM 319 NE ARG A 23 9.710 0.071 10.512 1.00 3.40 N ATOM 320 CZ ARG A 23 10.399 -0.758 11.313 1.00 4.59 C ATOM 321 NH1 ARG A 23 11.036 -1.810 10.786 1.00 5.63 N ATOM 322 NH2 ARG A 23 10.450 -0.532 12.630 1.00 5.31 N ATOM 0 H ARG A 23 6.285 0.940 7.109 1.00 0.81 H new ATOM 0 HA ARG A 23 8.239 2.852 6.552 1.00 1.01 H new ATOM 0 HB2 ARG A 23 8.258 -0.178 6.790 1.00 1.26 H new ATOM 0 HB3 ARG A 23 9.732 0.727 6.505 1.00 1.26 H new ATOM 0 HG2 ARG A 23 9.373 2.017 8.593 1.00 1.55 H new ATOM 0 HG3 ARG A 23 7.854 1.187 8.867 1.00 1.55 H new ATOM 0 HD2 ARG A 23 9.075 -1.017 8.829 1.00 2.77 H new ATOM 0 HD3 ARG A 23 10.588 -0.159 8.616 1.00 2.77 H new ATOM 0 HE ARG A 23 9.235 0.863 10.944 1.00 3.40 H new ATOM 0 HH11 ARG A 23 10.997 -1.979 9.781 1.00 5.63 H new ATOM 0 HH12 ARG A 23 11.561 -2.443 11.389 1.00 5.63 H new ATOM 0 HH21 ARG A 23 9.965 0.272 13.029 1.00 5.31 H new ATOM 0 HH22 ARG A 23 10.974 -1.163 13.236 1.00 5.31 H new ATOM 336 N ASN A 24 7.608 0.830 4.007 1.00 1.12 N ATOM 337 CA ASN A 24 7.792 0.675 2.571 1.00 1.41 C ATOM 338 C ASN A 24 7.416 1.986 1.894 1.00 1.29 C ATOM 339 O ASN A 24 8.190 2.537 1.119 1.00 1.56 O ATOM 340 CB ASN A 24 6.905 -0.433 1.980 1.00 1.82 C ATOM 341 CG ASN A 24 7.143 -1.831 2.522 1.00 1.94 C ATOM 342 OD1 ASN A 24 8.254 -2.183 2.903 1.00 2.86 O ATOM 343 ND2 ASN A 24 6.077 -2.631 2.523 1.00 2.25 N ATOM 0 H ASN A 24 6.973 0.147 4.421 1.00 1.12 H new ATOM 0 HA ASN A 24 8.834 0.404 2.399 1.00 1.41 H new ATOM 0 HB2 ASN A 24 5.862 -0.169 2.155 1.00 1.82 H new ATOM 0 HB3 ASN A 24 7.052 -0.453 0.900 1.00 1.82 H new ATOM 0 HD21 ASN A 24 6.161 -3.592 2.853 1.00 2.25 H new ATOM 0 HD22 ASN A 24 5.177 -2.282 2.194 1.00 2.25 H new ATOM 350 N LEU A 25 6.189 2.437 2.152 1.00 1.04 N ATOM 351 CA LEU A 25 5.595 3.567 1.486 1.00 1.19 C ATOM 352 C LEU A 25 6.137 4.924 1.940 1.00 1.38 C ATOM 353 O LEU A 25 6.039 5.884 1.181 1.00 1.99 O ATOM 354 CB LEU A 25 4.069 3.481 1.524 1.00 1.14 C ATOM 355 CG LEU A 25 3.438 2.373 0.650 1.00 1.43 C ATOM 356 CD1 LEU A 25 4.360 1.450 -0.163 1.00 1.62 C ATOM 357 CD2 LEU A 25 2.655 1.420 1.537 1.00 2.30 C ATOM 0 H LEU A 25 5.577 2.009 2.847 1.00 1.04 H new ATOM 0 HA LEU A 25 5.903 3.506 0.442 1.00 1.19 H new ATOM 0 HB2 LEU A 25 3.758 3.325 2.557 1.00 1.14 H new ATOM 0 HB3 LEU A 25 3.661 4.442 1.210 1.00 1.14 H new ATOM 0 HG LEU A 25 2.868 2.964 -0.067 1.00 1.43 H new ATOM 0 HD11 LEU A 25 3.757 0.731 -0.718 1.00 1.62 H new ATOM 0 HD12 LEU A 25 4.948 2.046 -0.860 1.00 1.62 H new ATOM 0 HD13 LEU A 25 5.029 0.917 0.513 1.00 1.62 H new ATOM 0 HD21 LEU A 25 2.208 0.637 0.924 1.00 2.30 H new ATOM 0 HD22 LEU A 25 3.326 0.970 2.269 1.00 2.30 H new ATOM 0 HD23 LEU A 25 1.868 1.969 2.055 1.00 2.30 H new ATOM 369 N ARG A 26 6.694 5.065 3.149 1.00 1.18 N ATOM 370 CA ARG A 26 7.001 6.414 3.634 1.00 1.68 C ATOM 371 C ARG A 26 8.080 7.154 2.836 1.00 2.24 C ATOM 372 O ARG A 26 8.364 8.307 3.148 1.00 2.96 O ATOM 373 CB ARG A 26 7.357 6.467 5.112 1.00 1.70 C ATOM 374 CG ARG A 26 8.656 5.703 5.299 1.00 2.75 C ATOM 375 CD ARG A 26 9.442 6.199 6.521 1.00 3.59 C ATOM 376 NE ARG A 26 10.819 6.603 6.181 1.00 4.61 N ATOM 377 CZ ARG A 26 11.209 7.729 5.550 1.00 5.12 C ATOM 378 NH1 ARG A 26 10.334 8.536 4.939 1.00 5.16 N ATOM 379 NH2 ARG A 26 12.508 8.048 5.528 1.00 6.50 N ATOM 0 H ARG A 26 6.932 4.302 3.782 1.00 1.18 H new ATOM 0 HA ARG A 26 6.057 6.936 3.478 1.00 1.68 H new ATOM 0 HB2 ARG A 26 7.469 7.500 5.442 1.00 1.70 H new ATOM 0 HB3 ARG A 26 6.563 6.025 5.713 1.00 1.70 H new ATOM 0 HG2 ARG A 26 8.439 4.641 5.414 1.00 2.75 H new ATOM 0 HG3 ARG A 26 9.271 5.808 4.405 1.00 2.75 H new ATOM 0 HD2 ARG A 26 8.918 7.045 6.967 1.00 3.59 H new ATOM 0 HD3 ARG A 26 9.473 5.411 7.273 1.00 3.59 H new ATOM 0 HE ARG A 26 11.560 5.958 6.454 1.00 4.61 H new ATOM 0 HH11 ARG A 26 9.340 8.306 4.942 1.00 5.16 H new ATOM 0 HH12 ARG A 26 10.661 9.381 4.470 1.00 5.16 H new ATOM 0 HH21 ARG A 26 13.190 7.442 5.985 1.00 6.50 H new ATOM 0 HH22 ARG A 26 12.817 8.897 5.054 1.00 6.50 H new ATOM 393 N ARG A 27 8.849 6.441 2.009 1.00 2.30 N ATOM 394 CA ARG A 27 10.172 6.868 1.557 1.00 2.94 C ATOM 395 C ARG A 27 10.137 8.115 0.677 1.00 3.18 C ATOM 396 O ARG A 27 11.173 8.736 0.455 1.00 3.67 O ATOM 397 CB ARG A 27 10.826 5.756 0.733 1.00 3.30 C ATOM 398 CG ARG A 27 10.912 4.373 1.391 1.00 3.33 C ATOM 399 CD ARG A 27 11.359 3.399 0.290 1.00 4.04 C ATOM 400 NE ARG A 27 11.071 1.993 0.602 1.00 4.94 N ATOM 401 CZ ARG A 27 11.099 1.026 -0.334 1.00 5.99 C ATOM 402 NH1 ARG A 27 11.563 1.292 -1.557 1.00 6.17 N ATOM 403 NH2 ARG A 27 10.659 -0.205 -0.049 1.00 7.26 N ATOM 0 H ARG A 27 8.564 5.538 1.630 1.00 2.30 H new ATOM 0 HA ARG A 27 10.735 7.095 2.462 1.00 2.94 H new ATOM 0 HB2 ARG A 27 10.274 5.655 -0.201 1.00 3.30 H new ATOM 0 HB3 ARG A 27 11.836 6.073 0.474 1.00 3.30 H new ATOM 0 HG2 ARG A 27 11.623 4.379 2.217 1.00 3.33 H new ATOM 0 HG3 ARG A 27 9.947 4.078 1.803 1.00 3.33 H new ATOM 0 HD2 ARG A 27 10.863 3.665 -0.643 1.00 4.04 H new ATOM 0 HD3 ARG A 27 12.430 3.515 0.126 1.00 4.04 H new ATOM 0 HE ARG A 27 10.841 1.740 1.563 1.00 4.94 H new ATOM 0 HH11 ARG A 27 11.897 2.229 -1.783 1.00 6.17 H new ATOM 0 HH12 ARG A 27 11.584 0.558 -2.265 1.00 6.17 H new ATOM 0 HH21 ARG A 27 10.300 -0.415 0.882 1.00 7.26 H new ATOM 0 HH22 ARG A 27 10.683 -0.933 -0.763 1.00 7.26 H new ATOM 417 N GLU A 28 8.968 8.405 0.112 1.00 3.28 N ATOM 418 CA GLU A 28 8.756 9.442 -0.883 1.00 4.15 C ATOM 419 C GLU A 28 9.363 9.083 -2.238 1.00 3.29 C ATOM 420 O GLU A 28 9.564 9.922 -3.115 1.00 4.31 O ATOM 421 CB GLU A 28 9.102 10.838 -0.341 1.00 6.30 C ATOM 422 CG GLU A 28 8.790 10.958 1.164 1.00 7.57 C ATOM 423 CD GLU A 28 8.541 12.397 1.599 1.00 9.50 C ATOM 424 OE1 GLU A 28 7.613 13.012 1.029 1.00 10.24 O ATOM 425 OE2 GLU A 28 9.275 12.845 2.506 1.00 10.47 O ATOM 0 H GLU A 28 8.112 7.902 0.347 1.00 3.28 H new ATOM 0 HA GLU A 28 7.688 9.498 -1.092 1.00 4.15 H new ATOM 0 HB2 GLU A 28 10.159 11.043 -0.511 1.00 6.30 H new ATOM 0 HB3 GLU A 28 8.539 11.592 -0.891 1.00 6.30 H new ATOM 0 HG2 GLU A 28 7.913 10.355 1.398 1.00 7.57 H new ATOM 0 HG3 GLU A 28 9.621 10.548 1.737 1.00 7.57 H new ATOM 432 N GLU A 29 9.530 7.777 -2.440 1.00 2.28 N ATOM 433 CA GLU A 29 9.922 7.116 -3.669 1.00 2.25 C ATOM 434 C GLU A 29 8.713 7.076 -4.616 1.00 1.76 C ATOM 435 O GLU A 29 8.213 6.017 -4.989 1.00 2.21 O ATOM 436 CB GLU A 29 10.412 5.737 -3.216 1.00 3.32 C ATOM 437 CG GLU A 29 11.180 4.899 -4.243 1.00 3.72 C ATOM 438 CD GLU A 29 11.619 3.586 -3.606 1.00 4.61 C ATOM 439 OE1 GLU A 29 12.303 3.647 -2.560 1.00 5.64 O ATOM 440 OE2 GLU A 29 11.210 2.513 -4.093 1.00 4.97 O ATOM 0 H GLU A 29 9.381 7.107 -1.685 1.00 2.28 H new ATOM 0 HA GLU A 29 10.709 7.618 -4.232 1.00 2.25 H new ATOM 0 HB2 GLU A 29 11.052 5.875 -2.345 1.00 3.32 H new ATOM 0 HB3 GLU A 29 9.547 5.161 -2.888 1.00 3.32 H new ATOM 0 HG2 GLU A 29 10.550 4.701 -5.110 1.00 3.72 H new ATOM 0 HG3 GLU A 29 12.050 5.450 -4.600 1.00 3.72 H new ATOM 447 N GLY A 30 8.200 8.259 -4.952 1.00 1.25 N ATOM 448 CA GLY A 30 7.041 8.434 -5.812 1.00 0.98 C ATOM 449 C GLY A 30 5.708 8.115 -5.121 1.00 0.84 C ATOM 450 O GLY A 30 4.748 7.665 -5.747 1.00 1.42 O ATOM 0 H GLY A 30 8.592 9.141 -4.623 1.00 1.25 H new ATOM 0 HA2 GLY A 30 7.017 9.463 -6.171 1.00 0.98 H new ATOM 0 HA3 GLY A 30 7.149 7.794 -6.688 1.00 0.98 H new ATOM 454 N ILE A 31 5.635 8.386 -3.820 1.00 0.77 N ATOM 455 CA ILE A 31 4.571 8.015 -2.904 1.00 0.62 C ATOM 456 C ILE A 31 4.409 9.199 -1.961 1.00 0.55 C ATOM 457 O ILE A 31 5.421 9.725 -1.511 1.00 0.81 O ATOM 458 CB ILE A 31 4.946 6.748 -2.107 1.00 0.84 C ATOM 459 CG1 ILE A 31 6.456 6.628 -1.833 1.00 2.17 C ATOM 460 CG2 ILE A 31 4.302 5.486 -2.689 1.00 2.73 C ATOM 461 CD1 ILE A 31 7.002 5.213 -1.693 1.00 3.07 C ATOM 0 H ILE A 31 6.374 8.909 -3.349 1.00 0.77 H new ATOM 0 HA ILE A 31 3.649 7.790 -3.440 1.00 0.62 H new ATOM 0 HB ILE A 31 4.508 6.860 -1.115 1.00 0.84 H new ATOM 0 HG12 ILE A 31 6.992 7.124 -2.642 1.00 2.17 H new ATOM 0 HG13 ILE A 31 6.683 7.175 -0.918 1.00 2.17 H new ATOM 0 HG21 ILE A 31 4.595 4.621 -2.095 1.00 2.73 H new ATOM 0 HG22 ILE A 31 3.217 5.589 -2.669 1.00 2.73 H new ATOM 0 HG23 ILE A 31 4.635 5.349 -3.718 1.00 2.73 H new ATOM 0 HD11 ILE A 31 8.074 5.254 -1.502 1.00 3.07 H new ATOM 0 HD12 ILE A 31 6.505 4.712 -0.863 1.00 3.07 H new ATOM 0 HD13 ILE A 31 6.818 4.659 -2.614 1.00 3.07 H new ATOM 473 N TYR A 32 3.182 9.634 -1.658 1.00 0.50 N ATOM 474 CA TYR A 32 2.974 10.647 -0.628 1.00 0.67 C ATOM 475 C TYR A 32 1.675 10.413 0.140 1.00 0.70 C ATOM 476 O TYR A 32 0.879 11.315 0.409 1.00 0.88 O ATOM 477 CB TYR A 32 2.927 12.024 -1.271 1.00 0.88 C ATOM 478 CG TYR A 32 4.078 12.360 -2.202 1.00 1.10 C ATOM 479 CD1 TYR A 32 3.979 12.038 -3.569 1.00 2.03 C ATOM 480 CD2 TYR A 32 5.295 12.847 -1.686 1.00 1.97 C ATOM 481 CE1 TYR A 32 5.099 12.157 -4.408 1.00 2.64 C ATOM 482 CE2 TYR A 32 6.402 13.007 -2.536 1.00 2.47 C ATOM 483 CZ TYR A 32 6.314 12.636 -3.888 1.00 2.52 C ATOM 484 OH TYR A 32 7.399 12.764 -4.702 1.00 3.30 O ATOM 0 H TYR A 32 2.329 9.303 -2.108 1.00 0.50 H new ATOM 0 HA TYR A 32 3.804 10.581 0.075 1.00 0.67 H new ATOM 0 HB2 TYR A 32 1.995 12.111 -1.830 1.00 0.88 H new ATOM 0 HB3 TYR A 32 2.895 12.773 -0.479 1.00 0.88 H new ATOM 0 HD1 TYR A 32 3.037 11.698 -3.974 1.00 2.03 H new ATOM 0 HD2 TYR A 32 5.377 13.097 -0.639 1.00 1.97 H new ATOM 0 HE1 TYR A 32 5.027 11.881 -5.450 1.00 2.64 H new ATOM 0 HE2 TYR A 32 7.323 13.416 -2.149 1.00 2.47 H new ATOM 0 HH TYR A 32 8.157 13.109 -4.185 1.00 3.30 H new ATOM 494 N SER A 33 1.521 9.170 0.546 1.00 0.67 N ATOM 495 CA SER A 33 0.804 8.648 1.697 1.00 0.86 C ATOM 496 C SER A 33 1.281 7.208 1.877 1.00 0.85 C ATOM 497 O SER A 33 2.128 6.746 1.111 1.00 1.36 O ATOM 498 CB SER A 33 -0.720 8.758 1.582 1.00 1.14 C ATOM 499 OG SER A 33 -1.313 8.451 2.830 1.00 2.00 O ATOM 0 H SER A 33 1.945 8.409 0.015 1.00 0.67 H new ATOM 0 HA SER A 33 1.026 9.250 2.578 1.00 0.86 H new ATOM 0 HB2 SER A 33 -1.000 9.765 1.273 1.00 1.14 H new ATOM 0 HB3 SER A 33 -1.087 8.076 0.816 1.00 1.14 H new ATOM 0 HG SER A 33 -2.288 8.523 2.756 1.00 2.00 H new ATOM 505 N ILE A 34 0.731 6.513 2.869 1.00 1.11 N ATOM 506 CA ILE A 34 0.970 5.106 3.115 1.00 0.92 C ATOM 507 C ILE A 34 -0.365 4.364 3.159 1.00 1.48 C ATOM 508 O ILE A 34 -1.275 4.727 3.899 1.00 2.04 O ATOM 509 CB ILE A 34 1.807 4.907 4.391 1.00 1.02 C ATOM 510 CG1 ILE A 34 1.075 5.150 5.727 1.00 1.72 C ATOM 511 CG2 ILE A 34 3.109 5.722 4.339 1.00 0.94 C ATOM 512 CD1 ILE A 34 0.328 6.482 5.852 1.00 2.58 C ATOM 0 H ILE A 34 0.088 6.932 3.541 1.00 1.11 H new ATOM 0 HA ILE A 34 1.557 4.683 2.299 1.00 0.92 H new ATOM 0 HB ILE A 34 2.031 3.840 4.387 1.00 1.02 H new ATOM 0 HG12 ILE A 34 0.361 4.340 5.880 1.00 1.72 H new ATOM 0 HG13 ILE A 34 1.805 5.088 6.534 1.00 1.72 H new ATOM 0 HG21 ILE A 34 3.677 5.559 5.255 1.00 0.94 H new ATOM 0 HG22 ILE A 34 3.703 5.404 3.482 1.00 0.94 H new ATOM 0 HG23 ILE A 34 2.871 6.781 4.243 1.00 0.94 H new ATOM 0 HD11 ILE A 34 -0.147 6.542 6.831 1.00 2.58 H new ATOM 0 HD12 ILE A 34 1.032 7.306 5.739 1.00 2.58 H new ATOM 0 HD13 ILE A 34 -0.433 6.547 5.075 1.00 2.58 H new ATOM 524 N LEU A 35 -0.500 3.298 2.377 1.00 1.60 N ATOM 525 CA LEU A 35 -1.732 2.560 2.284 1.00 2.18 C ATOM 526 C LEU A 35 -1.905 1.641 3.485 1.00 1.59 C ATOM 527 O LEU A 35 -1.869 0.425 3.356 1.00 1.72 O ATOM 528 CB LEU A 35 -1.773 1.806 0.944 1.00 3.14 C ATOM 529 CG LEU A 35 -0.585 0.841 0.774 1.00 3.93 C ATOM 530 CD1 LEU A 35 -0.819 -0.671 0.637 1.00 4.39 C ATOM 531 CD2 LEU A 35 0.158 1.289 -0.495 1.00 4.77 C ATOM 0 H LEU A 35 0.250 2.929 1.793 1.00 1.60 H new ATOM 0 HA LEU A 35 -2.578 3.247 2.305 1.00 2.18 H new ATOM 0 HB2 LEU A 35 -2.705 1.245 0.875 1.00 3.14 H new ATOM 0 HB3 LEU A 35 -1.772 2.526 0.126 1.00 3.14 H new ATOM 0 HG LEU A 35 -0.063 0.920 1.728 1.00 3.93 H new ATOM 0 HD11 LEU A 35 0.139 -1.179 0.527 1.00 4.39 H new ATOM 0 HD12 LEU A 35 -1.327 -1.043 1.527 1.00 4.39 H new ATOM 0 HD13 LEU A 35 -1.436 -0.866 -0.240 1.00 4.39 H new ATOM 0 HD21 LEU A 35 1.014 0.636 -0.665 1.00 4.77 H new ATOM 0 HD22 LEU A 35 -0.516 1.233 -1.350 1.00 4.77 H new ATOM 0 HD23 LEU A 35 0.503 2.315 -0.371 1.00 4.77 H new ATOM 543 N VAL A 36 -2.169 2.219 4.654 1.00 1.25 N ATOM 544 CA VAL A 36 -2.775 1.495 5.743 1.00 0.83 C ATOM 545 C VAL A 36 -4.041 2.207 6.179 1.00 0.80 C ATOM 546 O VAL A 36 -4.106 3.430 6.268 1.00 1.38 O ATOM 547 CB VAL A 36 -1.795 1.280 6.896 1.00 0.79 C ATOM 548 CG1 VAL A 36 -2.527 0.914 8.188 1.00 0.89 C ATOM 549 CG2 VAL A 36 -0.934 0.089 6.496 1.00 0.94 C ATOM 0 H VAL A 36 -1.966 3.197 4.862 1.00 1.25 H new ATOM 0 HA VAL A 36 -3.047 0.497 5.399 1.00 0.83 H new ATOM 0 HB VAL A 36 -1.222 2.190 7.074 1.00 0.79 H new ATOM 0 HG11 VAL A 36 -1.802 0.768 8.988 1.00 0.89 H new ATOM 0 HG12 VAL A 36 -3.210 1.719 8.460 1.00 0.89 H new ATOM 0 HG13 VAL A 36 -3.092 -0.006 8.038 1.00 0.89 H new ATOM 0 HG21 VAL A 36 -0.209 -0.117 7.283 1.00 0.94 H new ATOM 0 HG22 VAL A 36 -1.568 -0.785 6.349 1.00 0.94 H new ATOM 0 HG23 VAL A 36 -0.408 0.315 5.569 1.00 0.94 H new ATOM 559 N ALA A 37 -5.032 1.377 6.466 1.00 0.80 N ATOM 560 CA ALA A 37 -6.278 1.719 7.123 1.00 0.74 C ATOM 561 C ALA A 37 -6.808 0.442 7.777 1.00 0.65 C ATOM 562 O ALA A 37 -7.907 -0.029 7.476 1.00 0.60 O ATOM 563 CB ALA A 37 -7.254 2.325 6.111 1.00 0.76 C ATOM 0 H ALA A 37 -4.981 0.386 6.230 1.00 0.80 H new ATOM 0 HA ALA A 37 -6.138 2.477 7.894 1.00 0.74 H new ATOM 0 HB1 ALA A 37 -8.188 2.579 6.613 1.00 0.76 H new ATOM 0 HB2 ALA A 37 -6.818 3.226 5.679 1.00 0.76 H new ATOM 0 HB3 ALA A 37 -7.453 1.602 5.319 1.00 0.76 H new ATOM 569 N LEU A 38 -6.003 -0.132 8.676 1.00 0.75 N ATOM 570 CA LEU A 38 -6.304 -1.400 9.331 1.00 0.78 C ATOM 571 C LEU A 38 -7.627 -1.374 10.059 1.00 0.89 C ATOM 572 O LEU A 38 -8.267 -2.411 10.206 1.00 1.18 O ATOM 573 CB LEU A 38 -5.228 -1.767 10.350 1.00 1.01 C ATOM 574 CG LEU A 38 -5.004 -0.751 11.487 1.00 2.19 C ATOM 575 CD1 LEU A 38 -5.472 -1.332 12.827 1.00 2.90 C ATOM 576 CD2 LEU A 38 -3.517 -0.410 11.570 1.00 3.36 C ATOM 0 H LEU A 38 -5.116 0.278 8.970 1.00 0.75 H new ATOM 0 HA LEU A 38 -6.344 -2.139 8.530 1.00 0.78 H new ATOM 0 HB2 LEU A 38 -5.488 -2.728 10.794 1.00 1.01 H new ATOM 0 HB3 LEU A 38 -4.285 -1.904 9.821 1.00 1.01 H new ATOM 0 HG LEU A 38 -5.582 0.149 11.277 1.00 2.19 H new ATOM 0 HD11 LEU A 38 -5.306 -0.601 13.618 1.00 2.90 H new ATOM 0 HD12 LEU A 38 -6.534 -1.570 12.769 1.00 2.90 H new ATOM 0 HD13 LEU A 38 -4.909 -2.239 13.047 1.00 2.90 H new ATOM 0 HD21 LEU A 38 -3.353 0.309 12.373 1.00 3.36 H new ATOM 0 HD22 LEU A 38 -2.947 -1.317 11.772 1.00 3.36 H new ATOM 0 HD23 LEU A 38 -3.189 0.022 10.624 1.00 3.36 H new ATOM 588 N MET A 39 -7.992 -0.204 10.580 1.00 0.91 N ATOM 589 CA MET A 39 -9.061 -0.153 11.545 1.00 1.13 C ATOM 590 C MET A 39 -10.368 -0.569 10.861 1.00 1.12 C ATOM 591 O MET A 39 -11.172 -1.308 11.422 1.00 1.43 O ATOM 592 CB MET A 39 -9.169 1.247 12.166 1.00 1.36 C ATOM 593 CG MET A 39 -7.905 1.656 12.931 1.00 2.55 C ATOM 594 SD MET A 39 -8.018 3.276 13.733 1.00 2.92 S ATOM 595 CE MET A 39 -6.367 3.378 14.462 1.00 4.65 C ATOM 0 H MET A 39 -7.568 0.695 10.350 1.00 0.91 H new ATOM 0 HA MET A 39 -8.853 -0.846 12.360 1.00 1.13 H new ATOM 0 HB2 MET A 39 -9.363 1.975 11.378 1.00 1.36 H new ATOM 0 HB3 MET A 39 -10.023 1.274 12.843 1.00 1.36 H new ATOM 0 HG2 MET A 39 -7.692 0.902 13.688 1.00 2.55 H new ATOM 0 HG3 MET A 39 -7.061 1.662 12.241 1.00 2.55 H new ATOM 0 HE1 MET A 39 -6.264 4.321 14.998 1.00 4.65 H new ATOM 0 HE2 MET A 39 -6.223 2.549 15.155 1.00 4.65 H new ATOM 0 HE3 MET A 39 -5.617 3.325 13.673 1.00 4.65 H new ATOM 605 N ALA A 40 -10.544 -0.098 9.621 1.00 1.08 N ATOM 606 CA ALA A 40 -11.570 -0.583 8.711 1.00 1.13 C ATOM 607 C ALA A 40 -11.147 -1.931 8.122 1.00 1.09 C ATOM 608 O ALA A 40 -11.970 -2.833 7.996 1.00 1.48 O ATOM 609 CB ALA A 40 -11.792 0.455 7.609 1.00 1.15 C ATOM 0 H ALA A 40 -9.966 0.642 9.222 1.00 1.08 H new ATOM 0 HA ALA A 40 -12.507 -0.730 9.248 1.00 1.13 H new ATOM 0 HB1 ALA A 40 -12.560 0.098 6.923 1.00 1.15 H new ATOM 0 HB2 ALA A 40 -12.113 1.396 8.055 1.00 1.15 H new ATOM 0 HB3 ALA A 40 -10.862 0.611 7.063 1.00 1.15 H new ATOM 615 N GLY A 41 -9.869 -2.053 7.746 1.00 0.81 N ATOM 616 CA GLY A 41 -9.268 -3.282 7.243 1.00 0.79 C ATOM 617 C GLY A 41 -8.923 -3.111 5.770 1.00 0.77 C ATOM 618 O GLY A 41 -9.431 -3.835 4.916 1.00 1.02 O ATOM 0 H GLY A 41 -9.211 -1.275 7.786 1.00 0.81 H new ATOM 0 HA2 GLY A 41 -8.370 -3.520 7.813 1.00 0.79 H new ATOM 0 HA3 GLY A 41 -9.958 -4.116 7.372 1.00 0.79 H new ATOM 622 N LYS A 42 -8.110 -2.099 5.456 1.00 0.60 N ATOM 623 CA LYS A 42 -7.870 -1.665 4.095 1.00 0.72 C ATOM 624 C LYS A 42 -6.573 -0.875 4.103 1.00 0.55 C ATOM 625 O LYS A 42 -5.901 -0.777 5.130 1.00 0.48 O ATOM 626 CB LYS A 42 -9.059 -0.889 3.488 1.00 1.00 C ATOM 627 CG LYS A 42 -9.953 -0.197 4.527 1.00 1.62 C ATOM 628 CD LYS A 42 -10.818 0.899 3.886 1.00 2.26 C ATOM 629 CE LYS A 42 -10.000 2.184 3.683 1.00 3.58 C ATOM 630 NZ LYS A 42 -10.778 3.260 3.049 1.00 4.61 N ATOM 0 H LYS A 42 -7.599 -1.558 6.154 1.00 0.60 H new ATOM 0 HA LYS A 42 -7.773 -2.528 3.436 1.00 0.72 H new ATOM 0 HB2 LYS A 42 -8.674 -0.138 2.798 1.00 1.00 H new ATOM 0 HB3 LYS A 42 -9.668 -1.578 2.902 1.00 1.00 H new ATOM 0 HG2 LYS A 42 -10.596 -0.936 5.005 1.00 1.62 H new ATOM 0 HG3 LYS A 42 -9.332 0.239 5.310 1.00 1.62 H new ATOM 0 HD2 LYS A 42 -11.203 0.552 2.927 1.00 2.26 H new ATOM 0 HD3 LYS A 42 -11.680 1.107 4.520 1.00 2.26 H new ATOM 0 HE2 LYS A 42 -9.629 2.530 4.648 1.00 3.58 H new ATOM 0 HE3 LYS A 42 -9.128 1.961 3.068 1.00 3.58 H new ATOM 0 HZ1 LYS A 42 -10.225 4.141 3.059 1.00 4.61 H new ATOM 0 HZ2 LYS A 42 -10.995 2.999 2.066 1.00 4.61 H new ATOM 0 HZ3 LYS A 42 -11.665 3.402 3.573 1.00 4.61 H new ATOM 644 N ALA A 43 -6.214 -0.368 2.933 1.00 0.98 N ATOM 645 CA ALA A 43 -4.976 0.292 2.637 1.00 0.80 C ATOM 646 C ALA A 43 -5.310 1.372 1.598 1.00 0.74 C ATOM 647 O ALA A 43 -6.005 1.065 0.637 1.00 0.77 O ATOM 648 CB ALA A 43 -4.090 -0.840 2.108 1.00 0.98 C ATOM 0 H ALA A 43 -6.828 -0.416 2.120 1.00 0.98 H new ATOM 0 HA ALA A 43 -4.468 0.793 3.461 1.00 0.80 H new ATOM 0 HB1 ALA A 43 -3.109 -0.443 1.848 1.00 0.98 H new ATOM 0 HB2 ALA A 43 -3.980 -1.605 2.876 1.00 0.98 H new ATOM 0 HB3 ALA A 43 -4.550 -1.278 1.222 1.00 0.98 H new ATOM 654 N GLU A 44 -4.900 2.639 1.764 1.00 0.78 N ATOM 655 CA GLU A 44 -5.180 3.654 0.747 1.00 0.84 C ATOM 656 C GLU A 44 -3.981 4.551 0.443 1.00 0.90 C ATOM 657 O GLU A 44 -3.511 5.298 1.297 1.00 1.47 O ATOM 658 CB GLU A 44 -6.445 4.441 1.086 1.00 1.19 C ATOM 659 CG GLU A 44 -6.591 4.952 2.525 1.00 1.17 C ATOM 660 CD GLU A 44 -7.873 5.762 2.655 1.00 1.62 C ATOM 661 OE1 GLU A 44 -8.939 5.141 2.866 1.00 2.51 O ATOM 662 OE2 GLU A 44 -7.822 6.989 2.426 1.00 2.37 O ATOM 0 H GLU A 44 -4.384 2.977 2.577 1.00 0.78 H new ATOM 0 HA GLU A 44 -5.372 3.123 -0.185 1.00 0.84 H new ATOM 0 HB2 GLU A 44 -6.498 5.299 0.416 1.00 1.19 H new ATOM 0 HB3 GLU A 44 -7.305 3.809 0.863 1.00 1.19 H new ATOM 0 HG2 GLU A 44 -6.608 4.112 3.219 1.00 1.17 H new ATOM 0 HG3 GLU A 44 -5.732 5.568 2.791 1.00 1.17 H new ATOM 669 N VAL A 45 -3.464 4.456 -0.784 1.00 0.62 N ATOM 670 CA VAL A 45 -2.248 5.081 -1.215 1.00 0.59 C ATOM 671 C VAL A 45 -2.541 6.472 -1.778 1.00 0.57 C ATOM 672 O VAL A 45 -3.607 6.692 -2.352 1.00 0.73 O ATOM 673 CB VAL A 45 -1.629 4.132 -2.254 1.00 0.67 C ATOM 674 CG1 VAL A 45 -2.422 3.960 -3.555 1.00 1.35 C ATOM 675 CG2 VAL A 45 -0.224 4.587 -2.558 1.00 1.49 C ATOM 0 H VAL A 45 -3.913 3.915 -1.523 1.00 0.62 H new ATOM 0 HA VAL A 45 -1.546 5.239 -0.396 1.00 0.59 H new ATOM 0 HB VAL A 45 -1.644 3.143 -1.795 1.00 0.67 H new ATOM 0 HG11 VAL A 45 -1.894 3.271 -4.214 1.00 1.35 H new ATOM 0 HG12 VAL A 45 -3.411 3.561 -3.328 1.00 1.35 H new ATOM 0 HG13 VAL A 45 -2.525 4.926 -4.049 1.00 1.35 H new ATOM 0 HG21 VAL A 45 0.223 3.919 -3.294 1.00 1.49 H new ATOM 0 HG22 VAL A 45 -0.248 5.602 -2.955 1.00 1.49 H new ATOM 0 HG23 VAL A 45 0.370 4.569 -1.644 1.00 1.49 H new ATOM 685 N ARG A 46 -1.574 7.387 -1.649 1.00 0.55 N ATOM 686 CA ARG A 46 -1.461 8.596 -2.452 1.00 0.56 C ATOM 687 C ARG A 46 -0.054 8.549 -3.033 1.00 0.51 C ATOM 688 O ARG A 46 0.878 8.222 -2.302 1.00 0.54 O ATOM 689 CB ARG A 46 -1.687 9.856 -1.608 1.00 0.65 C ATOM 690 CG ARG A 46 -1.803 11.103 -2.496 1.00 1.03 C ATOM 691 CD ARG A 46 -1.640 12.397 -1.690 1.00 1.46 C ATOM 692 NE ARG A 46 -2.680 12.549 -0.656 1.00 2.00 N ATOM 693 CZ ARG A 46 -2.491 12.771 0.659 1.00 2.97 C ATOM 694 NH1 ARG A 46 -1.287 12.644 1.226 1.00 3.58 N ATOM 695 NH2 ARG A 46 -3.534 13.128 1.417 1.00 4.14 N ATOM 0 H ARG A 46 -0.828 7.298 -0.959 1.00 0.55 H new ATOM 0 HA ARG A 46 -2.219 8.639 -3.234 1.00 0.56 H new ATOM 0 HB2 ARG A 46 -2.595 9.742 -1.015 1.00 0.65 H new ATOM 0 HB3 ARG A 46 -0.862 9.981 -0.907 1.00 0.65 H new ATOM 0 HG2 ARG A 46 -1.044 11.064 -3.277 1.00 1.03 H new ATOM 0 HG3 ARG A 46 -2.773 11.105 -2.994 1.00 1.03 H new ATOM 0 HD2 ARG A 46 -0.658 12.407 -1.218 1.00 1.46 H new ATOM 0 HD3 ARG A 46 -1.677 13.251 -2.367 1.00 1.46 H new ATOM 0 HE ARG A 46 -3.648 12.478 -0.971 1.00 2.00 H new ATOM 0 HH11 ARG A 46 -0.483 12.373 0.660 1.00 3.58 H new ATOM 0 HH12 ARG A 46 -1.173 12.818 2.224 1.00 3.58 H new ATOM 0 HH21 ARG A 46 -4.458 13.229 0.998 1.00 4.14 H new ATOM 0 HH22 ARG A 46 -3.405 13.299 2.414 1.00 4.14 H new ATOM 709 N TYR A 47 0.095 8.758 -4.340 1.00 0.58 N ATOM 710 CA TYR A 47 1.323 8.434 -5.047 1.00 0.61 C ATOM 711 C TYR A 47 1.424 9.184 -6.362 1.00 0.72 C ATOM 712 O TYR A 47 0.432 9.771 -6.800 1.00 0.77 O ATOM 713 CB TYR A 47 1.404 6.919 -5.278 1.00 0.61 C ATOM 714 CG TYR A 47 0.316 6.340 -6.172 1.00 0.61 C ATOM 715 CD1 TYR A 47 -1.037 6.372 -5.785 1.00 1.63 C ATOM 716 CD2 TYR A 47 0.669 5.681 -7.365 1.00 2.15 C ATOM 717 CE1 TYR A 47 -2.018 5.778 -6.587 1.00 1.65 C ATOM 718 CE2 TYR A 47 -0.295 4.961 -8.088 1.00 2.24 C ATOM 719 CZ TYR A 47 -1.643 5.005 -7.693 1.00 0.96 C ATOM 720 OH TYR A 47 -2.592 4.270 -8.335 1.00 1.29 O ATOM 0 H TYR A 47 -0.633 9.156 -4.933 1.00 0.58 H new ATOM 0 HA TYR A 47 2.165 8.748 -4.431 1.00 0.61 H new ATOM 0 HB2 TYR A 47 2.374 6.686 -5.716 1.00 0.61 H new ATOM 0 HB3 TYR A 47 1.362 6.418 -4.311 1.00 0.61 H new ATOM 0 HD1 TYR A 47 -1.320 6.858 -4.863 1.00 1.63 H new ATOM 0 HD2 TYR A 47 1.686 5.730 -7.725 1.00 2.15 H new ATOM 0 HE1 TYR A 47 -3.063 5.916 -6.353 1.00 1.65 H new ATOM 0 HE2 TYR A 47 -0.001 4.374 -8.946 1.00 2.24 H new ATOM 0 HH TYR A 47 -2.275 3.349 -8.443 1.00 1.29 H new ATOM 730 N ASN A 48 2.603 9.132 -7.001 1.00 0.80 N ATOM 731 CA ASN A 48 2.759 9.641 -8.358 1.00 0.91 C ATOM 732 C ASN A 48 2.836 8.526 -9.421 1.00 0.88 C ATOM 733 O ASN A 48 3.902 7.960 -9.662 1.00 0.99 O ATOM 734 CB ASN A 48 3.837 10.729 -8.442 1.00 0.98 C ATOM 735 CG ASN A 48 5.288 10.329 -8.224 1.00 2.29 C ATOM 736 OD1 ASN A 48 5.625 9.165 -8.096 1.00 3.99 O ATOM 737 ND2 ASN A 48 6.185 11.311 -8.182 1.00 2.48 N ATOM 0 H ASN A 48 3.454 8.743 -6.596 1.00 0.80 H new ATOM 0 HA ASN A 48 1.838 10.159 -8.625 1.00 0.91 H new ATOM 0 HB2 ASN A 48 3.765 11.192 -9.426 1.00 0.98 H new ATOM 0 HB3 ASN A 48 3.591 11.497 -7.709 1.00 0.98 H new ATOM 0 HD21 ASN A 48 7.172 11.095 -8.041 1.00 2.48 H new ATOM 0 HD22 ASN A 48 5.886 12.280 -8.291 1.00 2.48 H new ATOM 744 N PRO A 49 1.722 8.184 -10.103 1.00 0.85 N ATOM 745 CA PRO A 49 1.725 7.171 -11.153 1.00 0.91 C ATOM 746 C PRO A 49 2.418 7.683 -12.419 1.00 1.05 C ATOM 747 O PRO A 49 1.787 7.956 -13.435 1.00 1.46 O ATOM 748 CB PRO A 49 0.260 6.806 -11.384 1.00 0.94 C ATOM 749 CG PRO A 49 -0.489 8.078 -11.001 1.00 0.98 C ATOM 750 CD PRO A 49 0.367 8.673 -9.883 1.00 0.95 C ATOM 0 HA PRO A 49 2.294 6.287 -10.864 1.00 0.91 H new ATOM 0 HB2 PRO A 49 0.074 6.528 -12.422 1.00 0.94 H new ATOM 0 HB3 PRO A 49 -0.045 5.960 -10.768 1.00 0.94 H new ATOM 0 HG2 PRO A 49 -0.578 8.761 -11.846 1.00 0.98 H new ATOM 0 HG3 PRO A 49 -1.501 7.861 -10.659 1.00 0.98 H new ATOM 0 HD2 PRO A 49 0.338 9.762 -9.908 1.00 0.95 H new ATOM 0 HD3 PRO A 49 -0.003 8.367 -8.905 1.00 0.95 H new ATOM 758 N ALA A 50 3.742 7.776 -12.340 1.00 1.09 N ATOM 759 CA ALA A 50 4.654 8.064 -13.430 1.00 1.20 C ATOM 760 C ALA A 50 5.960 7.361 -13.083 1.00 1.20 C ATOM 761 O ALA A 50 6.405 6.472 -13.800 1.00 1.34 O ATOM 762 CB ALA A 50 4.832 9.577 -13.587 1.00 1.32 C ATOM 0 H ALA A 50 4.232 7.643 -11.455 1.00 1.09 H new ATOM 0 HA ALA A 50 4.277 7.706 -14.388 1.00 1.20 H new ATOM 0 HB1 ALA A 50 5.519 9.779 -14.409 1.00 1.32 H new ATOM 0 HB2 ALA A 50 3.867 10.037 -13.800 1.00 1.32 H new ATOM 0 HB3 ALA A 50 5.237 9.993 -12.665 1.00 1.32 H new ATOM 768 N VAL A 51 6.521 7.696 -11.917 1.00 1.15 N ATOM 769 CA VAL A 51 7.658 7.013 -11.348 1.00 1.18 C ATOM 770 C VAL A 51 7.314 5.535 -11.152 1.00 1.09 C ATOM 771 O VAL A 51 8.048 4.660 -11.601 1.00 1.24 O ATOM 772 CB VAL A 51 7.981 7.693 -10.008 1.00 1.19 C ATOM 773 CG1 VAL A 51 9.165 7.011 -9.332 1.00 1.29 C ATOM 774 CG2 VAL A 51 8.314 9.182 -10.189 1.00 1.32 C ATOM 0 H VAL A 51 6.181 8.466 -11.341 1.00 1.15 H new ATOM 0 HA VAL A 51 8.527 7.067 -12.004 1.00 1.18 H new ATOM 0 HB VAL A 51 7.090 7.603 -9.387 1.00 1.19 H new ATOM 0 HG11 VAL A 51 9.378 7.507 -8.385 1.00 1.29 H new ATOM 0 HG12 VAL A 51 8.925 5.964 -9.148 1.00 1.29 H new ATOM 0 HG13 VAL A 51 10.040 7.074 -9.980 1.00 1.29 H new ATOM 0 HG21 VAL A 51 8.536 9.626 -9.219 1.00 1.32 H new ATOM 0 HG22 VAL A 51 9.181 9.284 -10.842 1.00 1.32 H new ATOM 0 HG23 VAL A 51 7.461 9.694 -10.635 1.00 1.32 H new ATOM 784 N ILE A 52 6.215 5.270 -10.437 1.00 0.93 N ATOM 785 CA ILE A 52 5.937 3.942 -9.915 1.00 0.91 C ATOM 786 C ILE A 52 5.115 3.095 -10.898 1.00 0.91 C ATOM 787 O ILE A 52 5.683 2.202 -11.509 1.00 1.34 O ATOM 788 CB ILE A 52 5.428 4.053 -8.472 1.00 0.94 C ATOM 789 CG1 ILE A 52 5.545 2.696 -7.773 1.00 1.09 C ATOM 790 CG2 ILE A 52 4.023 4.640 -8.306 1.00 1.01 C ATOM 791 CD1 ILE A 52 6.905 2.528 -7.084 1.00 1.75 C ATOM 0 H ILE A 52 5.505 5.966 -10.210 1.00 0.93 H new ATOM 0 HA ILE A 52 6.851 3.354 -9.836 1.00 0.91 H new ATOM 0 HB ILE A 52 6.077 4.786 -7.993 1.00 0.94 H new ATOM 0 HG12 ILE A 52 4.749 2.597 -7.035 1.00 1.09 H new ATOM 0 HG13 ILE A 52 5.405 1.898 -8.502 1.00 1.09 H new ATOM 0 HG21 ILE A 52 3.765 4.672 -7.247 1.00 1.01 H new ATOM 0 HG22 ILE A 52 4.000 5.650 -8.716 1.00 1.01 H new ATOM 0 HG23 ILE A 52 3.303 4.016 -8.836 1.00 1.01 H new ATOM 0 HD11 ILE A 52 6.949 1.553 -6.599 1.00 1.75 H new ATOM 0 HD12 ILE A 52 7.700 2.601 -7.826 1.00 1.75 H new ATOM 0 HD13 ILE A 52 7.033 3.311 -6.336 1.00 1.75 H new ATOM 803 N GLN A 53 3.817 3.399 -11.055 1.00 0.76 N ATOM 804 CA GLN A 53 2.762 2.762 -11.868 1.00 0.74 C ATOM 805 C GLN A 53 1.727 2.138 -10.926 1.00 0.66 C ATOM 806 O GLN A 53 2.114 1.497 -9.961 1.00 0.64 O ATOM 807 CB GLN A 53 3.202 1.702 -12.909 1.00 0.90 C ATOM 808 CG GLN A 53 3.602 2.221 -14.296 1.00 1.09 C ATOM 809 CD GLN A 53 4.820 3.119 -14.245 1.00 2.03 C ATOM 810 OE1 GLN A 53 5.899 2.757 -14.700 1.00 3.03 O ATOM 811 NE2 GLN A 53 4.635 4.309 -13.696 1.00 2.63 N ATOM 0 H GLN A 53 3.432 4.198 -10.552 1.00 0.76 H new ATOM 0 HA GLN A 53 2.364 3.575 -12.476 1.00 0.74 H new ATOM 0 HB2 GLN A 53 4.046 1.150 -12.496 1.00 0.90 H new ATOM 0 HB3 GLN A 53 2.386 0.990 -13.035 1.00 0.90 H new ATOM 0 HG2 GLN A 53 3.804 1.375 -14.953 1.00 1.09 H new ATOM 0 HG3 GLN A 53 2.767 2.770 -14.731 1.00 1.09 H new ATOM 0 HE21 GLN A 53 3.718 4.565 -13.331 1.00 2.63 H new ATOM 0 HE22 GLN A 53 5.410 4.970 -13.638 1.00 2.63 H new ATOM 820 N PRO A 54 0.418 2.282 -11.185 1.00 0.78 N ATOM 821 CA PRO A 54 -0.645 1.637 -10.415 1.00 0.82 C ATOM 822 C PRO A 54 -0.487 0.124 -10.217 1.00 0.73 C ATOM 823 O PRO A 54 -0.543 -0.328 -9.073 1.00 0.76 O ATOM 824 CB PRO A 54 -1.962 2.047 -11.076 1.00 0.99 C ATOM 825 CG PRO A 54 -1.562 3.436 -11.562 1.00 1.11 C ATOM 826 CD PRO A 54 -0.178 3.202 -12.136 1.00 0.98 C ATOM 0 HA PRO A 54 -0.606 1.982 -9.382 1.00 0.82 H new ATOM 0 HB2 PRO A 54 -2.249 1.382 -11.891 1.00 0.99 H new ATOM 0 HB3 PRO A 54 -2.796 2.070 -10.375 1.00 0.99 H new ATOM 0 HG2 PRO A 54 -2.253 3.817 -12.314 1.00 1.11 H new ATOM 0 HG3 PRO A 54 -1.546 4.161 -10.748 1.00 1.11 H new ATOM 0 HD2 PRO A 54 -0.223 2.774 -13.137 1.00 0.98 H new ATOM 0 HD3 PRO A 54 0.390 4.129 -12.211 1.00 0.98 H new ATOM 834 N PRO A 55 -0.258 -0.681 -11.270 1.00 0.69 N ATOM 835 CA PRO A 55 0.149 -2.053 -11.077 1.00 0.69 C ATOM 836 C PRO A 55 1.380 -2.118 -10.178 1.00 0.67 C ATOM 837 O PRO A 55 1.400 -2.909 -9.236 1.00 0.73 O ATOM 838 CB PRO A 55 0.460 -2.614 -12.465 1.00 0.77 C ATOM 839 CG PRO A 55 0.508 -1.432 -13.406 1.00 0.75 C ATOM 840 CD PRO A 55 -0.282 -0.361 -12.686 1.00 0.76 C ATOM 0 HA PRO A 55 -0.634 -2.634 -10.591 1.00 0.69 H new ATOM 0 HB2 PRO A 55 1.411 -3.147 -12.464 1.00 0.77 H new ATOM 0 HB3 PRO A 55 -0.305 -3.326 -12.776 1.00 0.77 H new ATOM 0 HG2 PRO A 55 1.533 -1.113 -13.595 1.00 0.75 H new ATOM 0 HG3 PRO A 55 0.066 -1.673 -14.373 1.00 0.75 H new ATOM 0 HD2 PRO A 55 0.153 0.622 -12.865 1.00 0.76 H new ATOM 0 HD3 PRO A 55 -1.307 -0.327 -13.054 1.00 0.76 H new ATOM 848 N MET A 56 2.415 -1.313 -10.463 1.00 0.65 N ATOM 849 CA MET A 56 3.674 -1.546 -9.784 1.00 0.69 C ATOM 850 C MET A 56 3.560 -1.197 -8.308 1.00 0.69 C ATOM 851 O MET A 56 4.190 -1.867 -7.500 1.00 0.80 O ATOM 852 CB MET A 56 4.826 -0.827 -10.481 1.00 0.79 C ATOM 853 CG MET A 56 5.109 -1.507 -11.829 1.00 1.05 C ATOM 854 SD MET A 56 6.270 -0.690 -12.956 1.00 1.39 S ATOM 855 CE MET A 56 7.704 -0.473 -11.880 1.00 2.06 C ATOM 0 H MET A 56 2.401 -0.537 -11.125 1.00 0.65 H new ATOM 0 HA MET A 56 3.907 -2.609 -9.840 1.00 0.69 H new ATOM 0 HB2 MET A 56 4.574 0.222 -10.636 1.00 0.79 H new ATOM 0 HB3 MET A 56 5.717 -0.852 -9.854 1.00 0.79 H new ATOM 0 HG2 MET A 56 5.487 -2.509 -11.627 1.00 1.05 H new ATOM 0 HG3 MET A 56 4.160 -1.624 -12.352 1.00 1.05 H new ATOM 0 HE1 MET A 56 8.522 -0.030 -12.449 1.00 2.06 H new ATOM 0 HE2 MET A 56 7.441 0.184 -11.051 1.00 2.06 H new ATOM 0 HE3 MET A 56 8.016 -1.442 -11.490 1.00 2.06 H new ATOM 865 N ILE A 57 2.760 -0.198 -7.918 1.00 0.66 N ATOM 866 CA ILE A 57 2.660 0.107 -6.501 1.00 0.78 C ATOM 867 C ILE A 57 1.992 -1.050 -5.754 1.00 0.80 C ATOM 868 O ILE A 57 2.554 -1.551 -4.782 1.00 0.96 O ATOM 869 CB ILE A 57 2.044 1.494 -6.269 1.00 0.92 C ATOM 870 CG1 ILE A 57 2.298 1.948 -4.828 1.00 2.06 C ATOM 871 CG2 ILE A 57 0.557 1.613 -6.606 1.00 1.60 C ATOM 872 CD1 ILE A 57 2.355 3.470 -4.800 1.00 2.37 C ATOM 0 H ILE A 57 2.198 0.386 -8.538 1.00 0.66 H new ATOM 0 HA ILE A 57 3.656 0.188 -6.066 1.00 0.78 H new ATOM 0 HB ILE A 57 2.548 2.152 -6.977 1.00 0.92 H new ATOM 0 HG12 ILE A 57 1.505 1.587 -4.173 1.00 2.06 H new ATOM 0 HG13 ILE A 57 3.233 1.528 -4.458 1.00 2.06 H new ATOM 0 HG21 ILE A 57 0.219 2.630 -6.407 1.00 1.60 H new ATOM 0 HG22 ILE A 57 0.403 1.378 -7.659 1.00 1.60 H new ATOM 0 HG23 ILE A 57 -0.012 0.915 -5.992 1.00 1.60 H new ATOM 0 HD11 ILE A 57 2.535 3.809 -3.780 1.00 2.37 H new ATOM 0 HD12 ILE A 57 3.163 3.816 -5.445 1.00 2.37 H new ATOM 0 HD13 ILE A 57 1.408 3.876 -5.155 1.00 2.37 H new ATOM 884 N ALA A 58 0.830 -1.511 -6.234 1.00 0.79 N ATOM 885 CA ALA A 58 0.119 -2.654 -5.687 1.00 0.92 C ATOM 886 C ALA A 58 1.043 -3.861 -5.569 1.00 0.90 C ATOM 887 O ALA A 58 1.199 -4.452 -4.501 1.00 1.09 O ATOM 888 CB ALA A 58 -1.090 -2.966 -6.568 1.00 1.03 C ATOM 0 H ALA A 58 0.355 -1.085 -7.030 1.00 0.79 H new ATOM 0 HA ALA A 58 -0.230 -2.414 -4.683 1.00 0.92 H new ATOM 0 HB1 ALA A 58 -1.626 -3.823 -6.160 1.00 1.03 H new ATOM 0 HB2 ALA A 58 -1.754 -2.102 -6.594 1.00 1.03 H new ATOM 0 HB3 ALA A 58 -0.754 -3.196 -7.579 1.00 1.03 H new ATOM 894 N GLU A 59 1.683 -4.223 -6.672 1.00 0.82 N ATOM 895 CA GLU A 59 2.541 -5.365 -6.707 1.00 0.89 C ATOM 896 C GLU A 59 3.767 -5.187 -5.814 1.00 0.82 C ATOM 897 O GLU A 59 4.143 -6.130 -5.133 1.00 0.88 O ATOM 898 CB GLU A 59 2.877 -5.628 -8.161 1.00 1.05 C ATOM 899 CG GLU A 59 1.742 -6.368 -8.899 1.00 1.46 C ATOM 900 CD GLU A 59 1.321 -7.694 -8.253 1.00 2.57 C ATOM 901 OE1 GLU A 59 2.206 -8.416 -7.749 1.00 3.53 O ATOM 902 OE2 GLU A 59 0.102 -7.971 -8.244 1.00 3.49 O ATOM 0 H GLU A 59 1.612 -3.724 -7.559 1.00 0.82 H new ATOM 0 HA GLU A 59 2.041 -6.241 -6.294 1.00 0.89 H new ATOM 0 HB2 GLU A 59 3.077 -4.681 -8.663 1.00 1.05 H new ATOM 0 HB3 GLU A 59 3.791 -6.219 -8.219 1.00 1.05 H new ATOM 0 HG2 GLU A 59 0.873 -5.712 -8.952 1.00 1.46 H new ATOM 0 HG3 GLU A 59 2.058 -6.562 -9.924 1.00 1.46 H new ATOM 909 N PHE A 60 4.369 -3.998 -5.729 1.00 0.84 N ATOM 910 CA PHE A 60 5.452 -3.756 -4.793 1.00 0.95 C ATOM 911 C PHE A 60 5.039 -4.112 -3.366 1.00 1.01 C ATOM 912 O PHE A 60 5.850 -4.611 -2.587 1.00 1.20 O ATOM 913 CB PHE A 60 5.945 -2.305 -4.887 1.00 1.05 C ATOM 914 CG PHE A 60 7.360 -2.190 -4.382 1.00 1.58 C ATOM 915 CD1 PHE A 60 7.591 -1.989 -3.009 1.00 3.11 C ATOM 916 CD2 PHE A 60 8.352 -2.792 -5.173 1.00 2.21 C ATOM 917 CE1 PHE A 60 8.752 -2.507 -2.413 1.00 4.34 C ATOM 918 CE2 PHE A 60 9.468 -3.377 -4.567 1.00 3.42 C ATOM 919 CZ PHE A 60 9.680 -3.228 -3.185 1.00 4.31 C ATOM 0 H PHE A 60 4.119 -3.191 -6.301 1.00 0.84 H new ATOM 0 HA PHE A 60 6.282 -4.407 -5.066 1.00 0.95 H new ATOM 0 HB2 PHE A 60 5.894 -1.964 -5.921 1.00 1.05 H new ATOM 0 HB3 PHE A 60 5.292 -1.655 -4.305 1.00 1.05 H new ATOM 0 HD1 PHE A 60 6.877 -1.438 -2.415 1.00 3.11 H new ATOM 0 HD2 PHE A 60 8.253 -2.803 -6.248 1.00 2.21 H new ATOM 0 HE1 PHE A 60 8.933 -2.351 -1.360 1.00 4.34 H new ATOM 0 HE2 PHE A 60 10.169 -3.944 -5.162 1.00 3.42 H new ATOM 0 HZ PHE A 60 10.551 -3.665 -2.719 1.00 4.31 H new ATOM 929 N ILE A 61 3.765 -3.897 -3.016 1.00 0.89 N ATOM 930 CA ILE A 61 3.261 -4.355 -1.732 1.00 0.88 C ATOM 931 C ILE A 61 3.416 -5.879 -1.686 1.00 0.93 C ATOM 932 O ILE A 61 3.997 -6.443 -0.763 1.00 1.13 O ATOM 933 CB ILE A 61 1.805 -3.947 -1.502 1.00 0.73 C ATOM 934 CG1 ILE A 61 1.479 -2.519 -1.953 1.00 0.91 C ATOM 935 CG2 ILE A 61 1.463 -4.109 -0.016 1.00 1.01 C ATOM 936 CD1 ILE A 61 2.517 -1.418 -1.742 1.00 2.14 C ATOM 0 H ILE A 61 3.080 -3.416 -3.599 1.00 0.89 H new ATOM 0 HA ILE A 61 3.834 -3.886 -0.932 1.00 0.88 H new ATOM 0 HB ILE A 61 1.196 -4.607 -2.120 1.00 0.73 H new ATOM 0 HG12 ILE A 61 1.250 -2.555 -3.018 1.00 0.91 H new ATOM 0 HG13 ILE A 61 0.567 -2.213 -1.441 1.00 0.91 H new ATOM 0 HG21 ILE A 61 0.426 -3.819 0.152 1.00 1.01 H new ATOM 0 HG22 ILE A 61 1.601 -5.149 0.278 1.00 1.01 H new ATOM 0 HG23 ILE A 61 2.119 -3.474 0.580 1.00 1.01 H new ATOM 0 HD11 ILE A 61 2.126 -0.472 -2.117 1.00 2.14 H new ATOM 0 HD12 ILE A 61 2.737 -1.324 -0.678 1.00 2.14 H new ATOM 0 HD13 ILE A 61 3.431 -1.671 -2.280 1.00 2.14 H new ATOM 948 N ARG A 62 2.877 -6.539 -2.714 1.00 0.84 N ATOM 949 CA ARG A 62 2.860 -7.983 -2.864 1.00 0.88 C ATOM 950 C ARG A 62 4.239 -8.638 -2.801 1.00 0.89 C ATOM 951 O ARG A 62 4.380 -9.634 -2.090 1.00 0.89 O ATOM 952 CB ARG A 62 2.127 -8.384 -4.141 1.00 0.93 C ATOM 953 CG ARG A 62 0.677 -7.865 -4.124 1.00 0.99 C ATOM 954 CD ARG A 62 -0.219 -8.824 -4.899 1.00 1.14 C ATOM 955 NE ARG A 62 -0.188 -10.125 -4.220 1.00 2.84 N ATOM 956 CZ ARG A 62 0.250 -11.277 -4.741 1.00 4.26 C ATOM 957 NH1 ARG A 62 0.332 -11.453 -6.064 1.00 3.88 N ATOM 958 NH2 ARG A 62 0.642 -12.222 -3.881 1.00 6.36 N ATOM 0 H ARG A 62 2.425 -6.057 -3.491 1.00 0.84 H new ATOM 0 HA ARG A 62 2.317 -8.362 -1.998 1.00 0.88 H new ATOM 0 HB2 ARG A 62 2.652 -7.983 -5.008 1.00 0.93 H new ATOM 0 HB3 ARG A 62 2.129 -9.469 -4.241 1.00 0.93 H new ATOM 0 HG2 ARG A 62 0.325 -7.773 -3.096 1.00 0.99 H new ATOM 0 HG3 ARG A 62 0.631 -6.870 -4.567 1.00 0.99 H new ATOM 0 HD2 ARG A 62 -1.239 -8.441 -4.942 1.00 1.14 H new ATOM 0 HD3 ARG A 62 0.128 -8.923 -5.927 1.00 1.14 H new ATOM 0 HE ARG A 62 -0.533 -10.154 -3.260 1.00 2.84 H new ATOM 0 HH11 ARG A 62 0.058 -10.701 -6.696 1.00 3.88 H new ATOM 0 HH12 ARG A 62 0.669 -12.339 -6.441 1.00 3.88 H new ATOM 0 HH21 ARG A 62 0.599 -12.047 -2.877 1.00 6.36 H new ATOM 0 HH22 ARG A 62 0.984 -13.118 -4.229 1.00 6.36 H new ATOM 972 N GLU A 63 5.225 -8.109 -3.534 1.00 0.96 N ATOM 973 CA GLU A 63 6.575 -8.627 -3.690 1.00 1.05 C ATOM 974 C GLU A 63 7.210 -9.043 -2.364 1.00 0.96 C ATOM 975 O GLU A 63 7.947 -10.023 -2.304 1.00 1.21 O ATOM 976 CB GLU A 63 7.420 -7.540 -4.362 1.00 1.24 C ATOM 977 CG GLU A 63 7.194 -7.431 -5.869 1.00 1.53 C ATOM 978 CD GLU A 63 8.021 -6.301 -6.477 1.00 2.13 C ATOM 979 OE1 GLU A 63 9.245 -6.300 -6.226 1.00 2.84 O ATOM 980 OE2 GLU A 63 7.414 -5.455 -7.169 1.00 3.14 O ATOM 0 H GLU A 63 5.084 -7.251 -4.067 1.00 0.96 H new ATOM 0 HA GLU A 63 6.531 -9.529 -4.300 1.00 1.05 H new ATOM 0 HB2 GLU A 63 7.195 -6.579 -3.899 1.00 1.24 H new ATOM 0 HB3 GLU A 63 8.474 -7.744 -4.175 1.00 1.24 H new ATOM 0 HG2 GLU A 63 7.458 -8.374 -6.347 1.00 1.53 H new ATOM 0 HG3 GLU A 63 6.136 -7.257 -6.068 1.00 1.53 H new ATOM 987 N LEU A 64 6.909 -8.311 -1.293 1.00 0.83 N ATOM 988 CA LEU A 64 7.522 -8.524 0.007 1.00 1.00 C ATOM 989 C LEU A 64 6.882 -9.715 0.734 1.00 1.38 C ATOM 990 O LEU A 64 7.462 -10.229 1.687 1.00 1.56 O ATOM 991 CB LEU A 64 7.424 -7.229 0.823 1.00 1.25 C ATOM 992 CG LEU A 64 8.051 -6.017 0.114 1.00 1.26 C ATOM 993 CD1 LEU A 64 7.712 -4.766 0.921 1.00 1.56 C ATOM 994 CD2 LEU A 64 9.570 -6.146 -0.033 1.00 2.03 C ATOM 0 H LEU A 64 6.229 -7.551 -1.308 1.00 0.83 H new ATOM 0 HA LEU A 64 8.575 -8.775 -0.122 1.00 1.00 H new ATOM 0 HB2 LEU A 64 6.375 -7.017 1.032 1.00 1.25 H new ATOM 0 HB3 LEU A 64 7.917 -7.375 1.784 1.00 1.25 H new ATOM 0 HG LEU A 64 7.642 -5.957 -0.895 1.00 1.26 H new ATOM 0 HD11 LEU A 64 8.147 -3.892 0.437 1.00 1.56 H new ATOM 0 HD12 LEU A 64 6.630 -4.650 0.975 1.00 1.56 H new ATOM 0 HD13 LEU A 64 8.117 -4.862 1.928 1.00 1.56 H new ATOM 0 HD21 LEU A 64 9.963 -5.264 -0.540 1.00 2.03 H new ATOM 0 HD22 LEU A 64 10.025 -6.230 0.954 1.00 2.03 H new ATOM 0 HD23 LEU A 64 9.805 -7.035 -0.618 1.00 2.03 H new ATOM 1006 N GLY A 65 5.700 -10.157 0.287 1.00 1.74 N ATOM 1007 CA GLY A 65 5.045 -11.384 0.719 1.00 2.57 C ATOM 1008 C GLY A 65 3.586 -11.129 1.090 1.00 1.51 C ATOM 1009 O GLY A 65 3.152 -11.534 2.165 1.00 1.40 O ATOM 0 H GLY A 65 5.159 -9.646 -0.411 1.00 1.74 H new ATOM 0 HA2 GLY A 65 5.096 -12.127 -0.077 1.00 2.57 H new ATOM 0 HA3 GLY A 65 5.574 -11.799 1.577 1.00 2.57 H new ATOM 1013 N PHE A 66 2.829 -10.457 0.211 1.00 1.67 N ATOM 1014 CA PHE A 66 1.505 -9.948 0.557 1.00 1.39 C ATOM 1015 C PHE A 66 0.454 -10.186 -0.526 1.00 1.38 C ATOM 1016 O PHE A 66 0.726 -10.579 -1.668 1.00 2.41 O ATOM 1017 CB PHE A 66 1.611 -8.456 0.923 1.00 2.31 C ATOM 1018 CG PHE A 66 2.415 -8.171 2.175 1.00 2.27 C ATOM 1019 CD1 PHE A 66 1.789 -8.194 3.432 1.00 2.00 C ATOM 1020 CD2 PHE A 66 3.799 -7.923 2.092 1.00 3.47 C ATOM 1021 CE1 PHE A 66 2.542 -7.968 4.595 1.00 2.26 C ATOM 1022 CE2 PHE A 66 4.552 -7.699 3.258 1.00 3.48 C ATOM 1023 CZ PHE A 66 3.921 -7.719 4.512 1.00 2.54 C ATOM 0 H PHE A 66 3.117 -10.256 -0.747 1.00 1.67 H new ATOM 0 HA PHE A 66 1.154 -10.514 1.420 1.00 1.39 H new ATOM 0 HB2 PHE A 66 2.062 -7.921 0.087 1.00 2.31 H new ATOM 0 HB3 PHE A 66 0.606 -8.055 1.053 1.00 2.31 H new ATOM 0 HD1 PHE A 66 0.729 -8.386 3.504 1.00 2.00 H new ATOM 0 HD2 PHE A 66 4.284 -7.905 1.127 1.00 3.47 H new ATOM 0 HE1 PHE A 66 2.057 -7.986 5.560 1.00 2.26 H new ATOM 0 HE2 PHE A 66 5.613 -7.512 3.189 1.00 3.48 H new ATOM 0 HZ PHE A 66 4.495 -7.543 5.410 1.00 2.54 H new ATOM 1033 N GLY A 67 -0.785 -9.921 -0.119 1.00 0.84 N ATOM 1034 CA GLY A 67 -1.965 -9.812 -0.940 1.00 0.95 C ATOM 1035 C GLY A 67 -2.423 -8.362 -0.825 1.00 0.99 C ATOM 1036 O GLY A 67 -2.532 -7.856 0.291 1.00 1.76 O ATOM 0 H GLY A 67 -0.994 -9.767 0.867 1.00 0.84 H new ATOM 0 HA2 GLY A 67 -1.745 -10.071 -1.976 1.00 0.95 H new ATOM 0 HA3 GLY A 67 -2.743 -10.495 -0.599 1.00 0.95 H new ATOM 1040 N ALA A 68 -2.612 -7.688 -1.960 1.00 0.86 N ATOM 1041 CA ALA A 68 -2.889 -6.260 -2.036 1.00 0.82 C ATOM 1042 C ALA A 68 -3.675 -5.991 -3.320 1.00 0.94 C ATOM 1043 O ALA A 68 -3.096 -5.636 -4.344 1.00 1.63 O ATOM 1044 CB ALA A 68 -1.568 -5.483 -2.003 1.00 0.86 C ATOM 0 H ALA A 68 -2.575 -8.136 -2.875 1.00 0.86 H new ATOM 0 HA ALA A 68 -3.486 -5.930 -1.186 1.00 0.82 H new ATOM 0 HB1 ALA A 68 -1.773 -4.414 -2.060 1.00 0.86 H new ATOM 0 HB2 ALA A 68 -1.040 -5.702 -1.075 1.00 0.86 H new ATOM 0 HB3 ALA A 68 -0.950 -5.779 -2.851 1.00 0.86 H new ATOM 1050 N THR A 69 -4.987 -6.218 -3.290 1.00 0.60 N ATOM 1051 CA THR A 69 -5.855 -6.094 -4.452 1.00 0.65 C ATOM 1052 C THR A 69 -6.279 -4.633 -4.599 1.00 0.56 C ATOM 1053 O THR A 69 -6.579 -3.982 -3.606 1.00 0.55 O ATOM 1054 CB THR A 69 -7.059 -7.031 -4.260 1.00 0.86 C ATOM 1055 OG1 THR A 69 -7.369 -7.158 -2.885 1.00 2.44 O ATOM 1056 CG2 THR A 69 -6.736 -8.428 -4.797 1.00 1.82 C ATOM 0 H THR A 69 -5.481 -6.497 -2.443 1.00 0.60 H new ATOM 0 HA THR A 69 -5.341 -6.384 -5.368 1.00 0.65 H new ATOM 0 HB THR A 69 -7.903 -6.603 -4.800 1.00 0.86 H new ATOM 0 HG1 THR A 69 -8.138 -7.756 -2.777 1.00 2.44 H new ATOM 0 HG21 THR A 69 -7.597 -9.081 -4.654 1.00 1.82 H new ATOM 0 HG22 THR A 69 -6.501 -8.364 -5.859 1.00 1.82 H new ATOM 0 HG23 THR A 69 -5.879 -8.835 -4.260 1.00 1.82 H new ATOM 1064 N VAL A 70 -6.299 -4.089 -5.817 1.00 0.58 N ATOM 1065 CA VAL A 70 -6.624 -2.707 -6.067 1.00 0.59 C ATOM 1066 C VAL A 70 -8.142 -2.574 -6.159 1.00 0.66 C ATOM 1067 O VAL A 70 -8.751 -3.075 -7.100 1.00 0.69 O ATOM 1068 CB VAL A 70 -5.878 -2.310 -7.343 1.00 0.70 C ATOM 1069 CG1 VAL A 70 -6.221 -0.894 -7.758 1.00 1.40 C ATOM 1070 CG2 VAL A 70 -4.384 -2.337 -7.034 1.00 1.69 C ATOM 0 H VAL A 70 -6.084 -4.616 -6.664 1.00 0.58 H new ATOM 0 HA VAL A 70 -6.313 -2.031 -5.271 1.00 0.59 H new ATOM 0 HB VAL A 70 -6.156 -2.998 -8.141 1.00 0.70 H new ATOM 0 HG11 VAL A 70 -5.677 -0.639 -8.667 1.00 1.40 H new ATOM 0 HG12 VAL A 70 -7.292 -0.819 -7.943 1.00 1.40 H new ATOM 0 HG13 VAL A 70 -5.941 -0.204 -6.962 1.00 1.40 H new ATOM 0 HG21 VAL A 70 -3.823 -2.058 -7.926 1.00 1.69 H new ATOM 0 HG22 VAL A 70 -4.165 -1.632 -6.232 1.00 1.69 H new ATOM 0 HG23 VAL A 70 -4.095 -3.341 -6.723 1.00 1.69 H new ATOM 1080 N ILE A 71 -8.739 -1.946 -5.143 1.00 0.96 N ATOM 1081 CA ILE A 71 -10.182 -1.862 -4.938 1.00 1.24 C ATOM 1082 C ILE A 71 -10.563 -0.405 -4.670 1.00 1.52 C ATOM 1083 O ILE A 71 -11.125 -0.051 -3.634 1.00 2.22 O ATOM 1084 CB ILE A 71 -10.608 -2.808 -3.802 1.00 1.46 C ATOM 1085 CG1 ILE A 71 -10.106 -4.249 -4.006 1.00 1.82 C ATOM 1086 CG2 ILE A 71 -12.133 -2.851 -3.588 1.00 1.93 C ATOM 1087 CD1 ILE A 71 -10.799 -5.010 -5.143 1.00 2.95 C ATOM 0 H ILE A 71 -8.209 -1.466 -4.416 1.00 0.96 H new ATOM 0 HA ILE A 71 -10.716 -2.186 -5.831 1.00 1.24 H new ATOM 0 HB ILE A 71 -10.139 -2.385 -2.914 1.00 1.46 H new ATOM 0 HG12 ILE A 71 -9.035 -4.222 -4.204 1.00 1.82 H new ATOM 0 HG13 ILE A 71 -10.245 -4.803 -3.078 1.00 1.82 H new ATOM 0 HG21 ILE A 71 -12.367 -3.536 -2.773 1.00 1.93 H new ATOM 0 HG22 ILE A 71 -12.494 -1.853 -3.338 1.00 1.93 H new ATOM 0 HG23 ILE A 71 -12.619 -3.194 -4.501 1.00 1.93 H new ATOM 0 HD11 ILE A 71 -10.383 -6.015 -5.215 1.00 2.95 H new ATOM 0 HD12 ILE A 71 -11.868 -5.073 -4.940 1.00 2.95 H new ATOM 0 HD13 ILE A 71 -10.639 -4.483 -6.084 1.00 2.95 H new ATOM 1099 N GLU A 72 -10.268 0.449 -5.643 1.00 1.37 N ATOM 1100 CA GLU A 72 -10.989 1.700 -5.816 1.00 1.53 C ATOM 1101 C GLU A 72 -12.319 1.429 -6.525 1.00 1.68 C ATOM 1102 O GLU A 72 -12.590 0.300 -6.932 1.00 2.75 O ATOM 1103 CB GLU A 72 -10.117 2.685 -6.596 1.00 1.81 C ATOM 1104 CG GLU A 72 -9.591 2.069 -7.896 1.00 2.42 C ATOM 1105 CD GLU A 72 -9.206 3.179 -8.847 1.00 2.97 C ATOM 1106 OE1 GLU A 72 -8.058 3.656 -8.719 1.00 3.46 O ATOM 1107 OE2 GLU A 72 -10.107 3.562 -9.625 1.00 3.75 O ATOM 0 H GLU A 72 -9.528 0.294 -6.328 1.00 1.37 H new ATOM 0 HA GLU A 72 -11.213 2.146 -4.847 1.00 1.53 H new ATOM 0 HB2 GLU A 72 -10.695 3.580 -6.825 1.00 1.81 H new ATOM 0 HB3 GLU A 72 -9.277 2.998 -5.976 1.00 1.81 H new ATOM 0 HG2 GLU A 72 -8.729 1.434 -7.690 1.00 2.42 H new ATOM 0 HG3 GLU A 72 -10.354 1.434 -8.347 1.00 2.42 H new ATOM 1114 N ASN A 73 -13.142 2.475 -6.676 1.00 1.62 N ATOM 1115 CA ASN A 73 -14.405 2.425 -7.407 1.00 2.19 C ATOM 1116 C ASN A 73 -15.262 1.235 -6.950 1.00 3.38 C ATOM 1117 O ASN A 73 -15.807 0.479 -7.753 1.00 4.86 O ATOM 1118 CB ASN A 73 -14.136 2.473 -8.923 1.00 3.70 C ATOM 1119 CG ASN A 73 -13.899 3.908 -9.395 1.00 4.70 C ATOM 1120 OD1 ASN A 73 -14.856 4.661 -9.547 1.00 5.31 O ATOM 1121 ND2 ASN A 73 -12.659 4.336 -9.624 1.00 5.76 N ATOM 0 H ASN A 73 -12.940 3.395 -6.284 1.00 1.62 H new ATOM 0 HA ASN A 73 -15.003 3.306 -7.176 1.00 2.19 H new ATOM 0 HB2 ASN A 73 -13.266 1.860 -9.161 1.00 3.70 H new ATOM 0 HB3 ASN A 73 -14.983 2.046 -9.459 1.00 3.70 H new ATOM 0 HD21 ASN A 73 -12.499 5.296 -9.928 1.00 5.76 H new ATOM 0 HD22 ASN A 73 -11.869 3.704 -9.495 1.00 5.76 H new ATOM 1128 N ILE A 74 -15.373 1.087 -5.626 1.00 3.93 N ATOM 1129 CA ILE A 74 -16.162 0.049 -4.977 1.00 5.65 C ATOM 1130 C ILE A 74 -17.661 0.374 -5.102 1.00 6.10 C ATOM 1131 O ILE A 74 -18.023 1.498 -5.447 1.00 5.86 O ATOM 1132 CB ILE A 74 -15.669 -0.090 -3.519 1.00 6.85 C ATOM 1133 CG1 ILE A 74 -16.059 -1.446 -2.900 1.00 8.62 C ATOM 1134 CG2 ILE A 74 -16.122 1.096 -2.652 1.00 7.15 C ATOM 1135 CD1 ILE A 74 -15.423 -1.674 -1.525 1.00 10.08 C ATOM 0 H ILE A 74 -14.903 1.704 -4.964 1.00 3.93 H new ATOM 0 HA ILE A 74 -16.030 -0.919 -5.461 1.00 5.65 H new ATOM 0 HB ILE A 74 -14.580 -0.067 -3.547 1.00 6.85 H new ATOM 0 HG12 ILE A 74 -17.144 -1.500 -2.807 1.00 8.62 H new ATOM 0 HG13 ILE A 74 -15.757 -2.248 -3.573 1.00 8.62 H new ATOM 0 HG21 ILE A 74 -15.757 0.963 -1.634 1.00 7.15 H new ATOM 0 HG22 ILE A 74 -15.720 2.022 -3.064 1.00 7.15 H new ATOM 0 HG23 ILE A 74 -17.211 1.145 -2.643 1.00 7.15 H new ATOM 0 HD11 ILE A 74 -15.733 -2.644 -1.137 1.00 10.08 H new ATOM 0 HD12 ILE A 74 -14.337 -1.650 -1.618 1.00 10.08 H new ATOM 0 HD13 ILE A 74 -15.746 -0.890 -0.840 1.00 10.08 H new ATOM 1147 N GLU A 75 -18.525 -0.609 -4.825 1.00 7.26 N ATOM 1148 CA GLU A 75 -19.979 -0.460 -4.815 1.00 8.10 C ATOM 1149 C GLU A 75 -20.516 0.026 -6.168 1.00 7.97 C ATOM 1150 O GLU A 75 -21.351 0.925 -6.239 1.00 8.36 O ATOM 1151 CB GLU A 75 -20.433 0.415 -3.636 1.00 8.80 C ATOM 1152 CG GLU A 75 -20.084 -0.226 -2.285 1.00 10.21 C ATOM 1153 CD GLU A 75 -20.485 0.675 -1.126 1.00 11.18 C ATOM 1154 OE1 GLU A 75 -21.706 0.758 -0.872 1.00 11.81 O ATOM 1155 OE2 GLU A 75 -19.563 1.262 -0.520 1.00 11.65 O ATOM 0 H GLU A 75 -18.221 -1.555 -4.596 1.00 7.26 H new ATOM 0 HA GLU A 75 -20.418 -1.446 -4.662 1.00 8.10 H new ATOM 0 HB2 GLU A 75 -19.960 1.395 -3.707 1.00 8.80 H new ATOM 0 HB3 GLU A 75 -21.509 0.575 -3.695 1.00 8.80 H new ATOM 0 HG2 GLU A 75 -20.591 -1.187 -2.194 1.00 10.21 H new ATOM 0 HG3 GLU A 75 -19.013 -0.425 -2.240 1.00 10.21 H new ATOM 1162 N GLY A 76 -20.070 -0.623 -7.247 1.00 8.19 N ATOM 1163 CA GLY A 76 -20.712 -0.493 -8.547 1.00 8.93 C ATOM 1164 C GLY A 76 -22.127 -1.073 -8.490 1.00 9.80 C ATOM 1165 O GLY A 76 -22.430 -1.898 -7.627 1.00 10.33 O ATOM 0 H GLY A 76 -19.262 -1.246 -7.240 1.00 8.19 H new ATOM 0 HA2 GLY A 76 -20.751 0.556 -8.839 1.00 8.93 H new ATOM 0 HA3 GLY A 76 -20.127 -1.013 -9.305 1.00 8.93 H new ATOM 1169 N ARG A 77 -22.997 -0.650 -9.408 1.00 10.33 N ATOM 1170 CA ARG A 77 -24.378 -1.072 -9.519 1.00 11.28 C ATOM 1171 C ARG A 77 -24.707 -0.839 -11.014 1.00 12.05 C ATOM 1172 O ARG A 77 -24.063 0.085 -11.561 1.00 12.18 O ATOM 1173 CB ARG A 77 -25.228 -0.231 -8.522 1.00 11.41 C ATOM 1174 CG ARG A 77 -26.622 -0.784 -8.145 1.00 12.62 C ATOM 1175 CD ARG A 77 -27.217 -1.270 -9.451 1.00 13.49 C ATOM 1176 NE ARG A 77 -28.616 -1.667 -9.515 1.00 14.60 N ATOM 1177 CZ ARG A 77 -29.064 -2.140 -10.694 1.00 15.38 C ATOM 1178 NH1 ARG A 77 -28.219 -2.237 -11.740 1.00 15.31 N ATOM 1179 NH2 ARG A 77 -30.343 -2.510 -10.825 1.00 16.52 N ATOM 1180 OXT ARG A 77 -25.559 -1.564 -11.591 1.00 12.82 O ATOM 0 H ARG A 77 -22.737 0.028 -10.124 1.00 10.33 H new ATOM 0 HA ARG A 77 -24.584 -2.110 -9.256 1.00 11.28 H new ATOM 0 HB2 ARG A 77 -24.652 -0.111 -7.604 1.00 11.41 H new ATOM 0 HB3 ARG A 77 -25.362 0.764 -8.947 1.00 11.41 H new ATOM 0 HG2 ARG A 77 -26.542 -1.595 -7.421 1.00 12.62 H new ATOM 0 HG3 ARG A 77 -27.243 -0.012 -7.691 1.00 12.62 H new ATOM 0 HD2 ARG A 77 -27.071 -0.479 -10.187 1.00 13.49 H new ATOM 0 HD3 ARG A 77 -26.623 -2.123 -9.779 1.00 13.49 H new ATOM 0 HE ARG A 77 -29.229 -1.590 -8.704 1.00 14.60 H new ATOM 0 HH11 ARG A 77 -27.245 -1.953 -11.637 1.00 15.31 H new ATOM 0 HH12 ARG A 77 -28.554 -2.595 -12.635 1.00 15.31 H new ATOM 0 HH21 ARG A 77 -30.980 -2.434 -10.032 1.00 16.52 H new ATOM 0 HH22 ARG A 77 -30.681 -2.868 -11.718 1.00 16.52 H new TER 1194 ARG A 77 HETATM 1195 CU CU A 78 -0.389 -9.434 7.541 1.00 2.89 CU