USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 373 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 30 THR OG1 : rot 180:sc= -0.152 USER MOD Set 2.1: A 2 SER OG : rot 180:sc= -0.0809 USER MOD Set 2.2: A 21 MET CE :methyl 165:sc= -0.253 (180deg=-0.866) USER MOD Single : A 1 ASN : amide:sc= -0.221 X(o=-0.22,f=-0.21) USER MOD Single : A 1 ASN N :NH3+ 178:sc= -0.893 (180deg=-0.958) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.178 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -108:sc= 1.15 USER MOD Single : A 16 ASN : amide:sc= -7.71! C(o=-7.7!,f=-10!) USER MOD Single : A 22 HIS : no HE2:sc= -3.75 K(o=-3.7,f=-7.8!) USER MOD Single : A 25 SER OG : rot 180:sc= 0.17 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0647 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.347 K(o=-0.35,f=-3.2!) USER MOD Single : A 37 TYR OH : rot -46:sc= 1.45 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0714 USER MOD Single : A 43 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.046) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -2.828 -3.706 -0.861 1.00 4.74 N ATOM 2 CA ASN A 1 -3.843 -4.183 0.114 1.00 4.26 C ATOM 3 C ASN A 1 -3.192 -4.366 1.480 1.00 3.87 C ATOM 4 O ASN A 1 -3.706 -5.071 2.323 1.00 4.10 O ATOM 5 CB ASN A 1 -4.418 -5.531 -0.340 1.00 5.00 C ATOM 6 CG ASN A 1 -4.673 -5.484 -1.847 1.00 5.37 C ATOM 7 OD1 ASN A 1 -4.119 -6.255 -2.607 1.00 6.09 O ATOM 8 ND2 ASN A 1 -5.496 -4.591 -2.320 1.00 4.89 N ATOM 0 H1 ASN A 1 -3.265 -3.614 -1.800 1.00 4.74 H new ATOM 0 H2 ASN A 1 -2.462 -2.781 -0.557 1.00 4.74 H new ATOM 0 H3 ASN A 1 -2.045 -4.389 -0.909 1.00 4.74 H new ATOM 0 HA ASN A 1 -4.643 -3.445 0.175 1.00 4.26 H new ATOM 0 HB2 ASN A 1 -3.723 -6.336 -0.101 1.00 5.00 H new ATOM 0 HB3 ASN A 1 -5.346 -5.743 0.192 1.00 5.00 H new ATOM 0 HD21 ASN A 1 -5.673 -4.541 -3.323 1.00 4.89 H new ATOM 0 HD22 ASN A 1 -5.963 -3.942 -1.687 1.00 4.89 H new ATOM 17 N SER A 2 -2.064 -3.721 1.662 1.00 3.43 N ATOM 18 CA SER A 2 -1.344 -3.831 2.962 1.00 3.00 C ATOM 19 C SER A 2 -1.039 -2.451 3.537 1.00 2.83 C ATOM 20 O SER A 2 0.046 -2.209 4.028 1.00 2.89 O ATOM 21 CB SER A 2 -0.019 -4.560 2.715 1.00 3.18 C ATOM 22 OG SER A 2 0.335 -5.080 3.989 1.00 4.47 O ATOM 0 H SER A 2 -1.615 -3.126 0.966 1.00 3.43 H new ATOM 0 HA SER A 2 -1.971 -4.373 3.670 1.00 3.00 H new ATOM 0 HB2 SER A 2 -0.133 -5.355 1.978 1.00 3.18 H new ATOM 0 HB3 SER A 2 0.745 -3.881 2.336 1.00 3.18 H new ATOM 0 HG SER A 2 1.181 -5.569 3.919 1.00 4.47 H new ATOM 28 N TYR A 3 -1.999 -1.571 3.457 1.00 2.63 N ATOM 29 CA TYR A 3 -1.787 -0.201 3.994 1.00 2.52 C ATOM 30 C TYR A 3 -1.609 -0.249 5.524 1.00 2.17 C ATOM 31 O TYR A 3 -2.043 -1.186 6.159 1.00 1.89 O ATOM 32 CB TYR A 3 -3.047 0.619 3.679 1.00 2.43 C ATOM 33 CG TYR A 3 -2.880 1.358 2.348 1.00 2.78 C ATOM 34 CD1 TYR A 3 -2.875 0.661 1.155 1.00 3.09 C ATOM 35 CD2 TYR A 3 -2.766 2.732 2.318 1.00 2.81 C ATOM 36 CE1 TYR A 3 -2.762 1.330 -0.048 1.00 3.41 C ATOM 37 CE2 TYR A 3 -2.653 3.399 1.116 1.00 3.13 C ATOM 38 CZ TYR A 3 -2.649 2.703 -0.075 1.00 3.42 C ATOM 39 OH TYR A 3 -2.525 3.373 -1.278 1.00 3.73 O ATOM 0 H TYR A 3 -2.916 -1.742 3.045 1.00 2.63 H new ATOM 0 HA TYR A 3 -0.896 0.239 3.546 1.00 2.52 H new ATOM 0 HB2 TYR A 3 -3.915 -0.039 3.631 1.00 2.43 H new ATOM 0 HB3 TYR A 3 -3.233 1.335 4.480 1.00 2.43 H new ATOM 0 HD1 TYR A 3 -2.960 -0.416 1.163 1.00 3.09 H new ATOM 0 HD2 TYR A 3 -2.765 3.290 3.243 1.00 2.81 H new ATOM 0 HE1 TYR A 3 -2.762 0.773 -0.974 1.00 3.41 H new ATOM 0 HE2 TYR A 3 -2.567 4.476 1.107 1.00 3.13 H new ATOM 0 HH TYR A 3 -2.458 4.336 -1.111 1.00 3.73 H new ATOM 49 N PRO A 4 -0.972 0.759 6.097 1.00 2.21 N ATOM 50 CA PRO A 4 -0.759 0.799 7.559 1.00 1.96 C ATOM 51 C PRO A 4 -2.099 0.824 8.296 1.00 1.54 C ATOM 52 O PRO A 4 -3.044 1.437 7.838 1.00 2.12 O ATOM 53 CB PRO A 4 -0.018 2.125 7.810 1.00 2.24 C ATOM 54 CG PRO A 4 0.117 2.854 6.449 1.00 2.58 C ATOM 55 CD PRO A 4 -0.415 1.913 5.360 1.00 2.58 C ATOM 0 HA PRO A 4 -0.207 -0.072 7.912 1.00 1.96 H new ATOM 0 HB2 PRO A 4 -0.568 2.742 8.521 1.00 2.24 H new ATOM 0 HB3 PRO A 4 0.965 1.938 8.243 1.00 2.24 H new ATOM 0 HG2 PRO A 4 -0.447 3.787 6.457 1.00 2.58 H new ATOM 0 HG3 PRO A 4 1.158 3.113 6.256 1.00 2.58 H new ATOM 0 HD2 PRO A 4 -1.178 2.401 4.754 1.00 2.58 H new ATOM 0 HD3 PRO A 4 0.380 1.603 4.682 1.00 2.58 H new ATOM 63 N GLY A 5 -2.171 0.167 9.424 1.00 0.55 N ATOM 64 CA GLY A 5 -3.466 0.172 10.168 1.00 0.16 C ATOM 65 C GLY A 5 -3.409 -0.729 11.402 1.00 0.31 C ATOM 66 O GLY A 5 -2.721 -1.730 11.409 1.00 0.68 O ATOM 0 H GLY A 5 -1.411 -0.360 9.854 1.00 0.55 H new ATOM 0 HA2 GLY A 5 -3.708 1.191 10.471 1.00 0.16 H new ATOM 0 HA3 GLY A 5 -4.267 -0.163 9.509 1.00 0.16 H new ATOM 70 N CYS A 6 -4.159 -0.360 12.416 1.00 0.18 N ATOM 71 CA CYS A 6 -4.164 -1.178 13.662 1.00 0.43 C ATOM 72 C CYS A 6 -5.018 -0.526 14.767 1.00 0.50 C ATOM 73 O CYS A 6 -4.717 0.575 15.181 1.00 0.68 O ATOM 74 CB CYS A 6 -2.736 -1.205 14.200 1.00 0.66 C ATOM 75 SG CYS A 6 -1.816 0.351 14.140 1.00 0.95 S ATOM 0 H CYS A 6 -4.760 0.464 12.431 1.00 0.18 H new ATOM 0 HA CYS A 6 -4.562 -2.164 13.421 1.00 0.43 H new ATOM 0 HB2 CYS A 6 -2.769 -1.541 15.236 1.00 0.66 H new ATOM 0 HB3 CYS A 6 -2.175 -1.954 13.640 1.00 0.66 H new ATOM 80 N PRO A 7 -6.067 -1.177 15.239 1.00 0.53 N ATOM 81 CA PRO A 7 -6.893 -0.583 16.295 1.00 0.61 C ATOM 82 C PRO A 7 -6.037 0.011 17.397 1.00 1.09 C ATOM 83 O PRO A 7 -4.845 -0.211 17.458 1.00 0.99 O ATOM 84 CB PRO A 7 -7.719 -1.759 16.827 1.00 0.83 C ATOM 85 CG PRO A 7 -7.689 -2.854 15.740 1.00 0.91 C ATOM 86 CD PRO A 7 -6.548 -2.502 14.775 1.00 0.67 C ATOM 0 HA PRO A 7 -7.510 0.235 15.924 1.00 0.61 H new ATOM 0 HB2 PRO A 7 -7.302 -2.132 17.763 1.00 0.83 H new ATOM 0 HB3 PRO A 7 -8.743 -1.449 17.035 1.00 0.83 H new ATOM 0 HG2 PRO A 7 -7.527 -3.835 16.186 1.00 0.91 H new ATOM 0 HG3 PRO A 7 -8.641 -2.898 15.211 1.00 0.91 H new ATOM 0 HD2 PRO A 7 -5.754 -3.248 14.810 1.00 0.67 H new ATOM 0 HD3 PRO A 7 -6.899 -2.459 13.744 1.00 0.67 H new ATOM 94 N SER A 8 -6.669 0.759 18.251 1.00 1.66 N ATOM 95 CA SER A 8 -5.918 1.381 19.356 1.00 2.20 C ATOM 96 C SER A 8 -5.057 0.355 20.092 1.00 2.49 C ATOM 97 O SER A 8 -4.246 0.705 20.928 1.00 2.83 O ATOM 98 CB SER A 8 -6.916 1.997 20.344 1.00 2.36 C ATOM 99 OG SER A 8 -8.139 2.037 19.624 1.00 3.02 O ATOM 0 H SER A 8 -7.668 0.963 18.228 1.00 1.66 H new ATOM 0 HA SER A 8 -5.259 2.144 18.941 1.00 2.20 H new ATOM 0 HB2 SER A 8 -7.005 1.394 21.248 1.00 2.36 H new ATOM 0 HB3 SER A 8 -6.604 2.994 20.655 1.00 2.36 H new ATOM 0 HG SER A 8 -8.840 2.421 20.191 1.00 3.02 H new ATOM 105 N SER A 9 -5.248 -0.896 19.775 1.00 2.55 N ATOM 106 CA SER A 9 -4.446 -1.948 20.452 1.00 2.89 C ATOM 107 C SER A 9 -3.176 -2.270 19.664 1.00 2.83 C ATOM 108 O SER A 9 -2.455 -1.383 19.250 1.00 4.68 O ATOM 109 CB SER A 9 -5.306 -3.211 20.547 1.00 2.81 C ATOM 110 OG SER A 9 -6.541 -2.741 21.064 1.00 3.15 O ATOM 0 H SER A 9 -5.918 -1.231 19.083 1.00 2.55 H new ATOM 0 HA SER A 9 -4.152 -1.592 21.439 1.00 2.89 H new ATOM 0 HB2 SER A 9 -5.434 -3.682 19.573 1.00 2.81 H new ATOM 0 HB3 SER A 9 -4.854 -3.954 21.204 1.00 2.81 H new ATOM 0 HG SER A 9 -7.163 -3.492 21.158 1.00 3.15 H new ATOM 116 N TYR A 10 -2.942 -3.538 19.457 1.00 1.24 N ATOM 117 CA TYR A 10 -1.734 -3.962 18.702 1.00 1.05 C ATOM 118 C TYR A 10 -0.518 -3.123 19.049 1.00 1.22 C ATOM 119 O TYR A 10 0.186 -2.642 18.184 1.00 1.30 O ATOM 120 CB TYR A 10 -2.051 -3.847 17.216 1.00 0.92 C ATOM 121 CG TYR A 10 -2.875 -5.069 16.877 1.00 0.73 C ATOM 122 CD1 TYR A 10 -2.278 -6.303 16.892 1.00 0.59 C ATOM 123 CD2 TYR A 10 -4.229 -4.974 16.682 1.00 0.89 C ATOM 124 CE1 TYR A 10 -3.009 -7.446 16.729 1.00 0.73 C ATOM 125 CE2 TYR A 10 -4.984 -6.122 16.512 1.00 0.99 C ATOM 126 CZ TYR A 10 -4.377 -7.371 16.534 1.00 0.96 C ATOM 127 OH TYR A 10 -5.127 -8.519 16.368 1.00 1.27 O ATOM 0 H TYR A 10 -3.539 -4.299 19.781 1.00 1.24 H new ATOM 0 HA TYR A 10 -1.487 -4.989 18.970 1.00 1.05 H new ATOM 0 HB2 TYR A 10 -2.603 -2.931 17.003 1.00 0.92 H new ATOM 0 HB3 TYR A 10 -1.137 -3.814 16.622 1.00 0.92 H new ATOM 0 HD1 TYR A 10 -1.210 -6.373 17.035 1.00 0.59 H new ATOM 0 HD2 TYR A 10 -4.706 -4.005 16.661 1.00 0.89 H new ATOM 0 HE1 TYR A 10 -2.519 -8.408 16.752 1.00 0.73 H new ATOM 0 HE2 TYR A 10 -6.051 -6.046 16.361 1.00 0.99 H new ATOM 0 HH TYR A 10 -5.412 -8.591 15.433 1.00 1.27 H new ATOM 137 N ASP A 11 -0.308 -2.975 20.324 1.00 1.34 N ATOM 138 CA ASP A 11 0.845 -2.186 20.809 1.00 1.55 C ATOM 139 C ASP A 11 1.589 -3.009 21.849 1.00 1.41 C ATOM 140 O ASP A 11 2.568 -2.569 22.419 1.00 1.61 O ATOM 141 CB ASP A 11 0.338 -0.896 21.463 1.00 1.86 C ATOM 142 CG ASP A 11 1.536 -0.010 21.811 1.00 2.13 C ATOM 143 OD1 ASP A 11 2.620 -0.373 21.383 1.00 3.49 O ATOM 144 OD2 ASP A 11 1.301 0.979 22.483 1.00 1.69 O ATOM 0 H ASP A 11 -0.895 -3.373 21.057 1.00 1.34 H new ATOM 0 HA ASP A 11 1.505 -1.938 19.978 1.00 1.55 H new ATOM 0 HB2 ASP A 11 -0.335 -0.370 20.786 1.00 1.86 H new ATOM 0 HB3 ASP A 11 -0.232 -1.129 22.362 1.00 1.86 H new ATOM 149 N GLY A 12 1.095 -4.202 22.073 1.00 1.10 N ATOM 150 CA GLY A 12 1.748 -5.086 23.073 1.00 0.96 C ATOM 151 C GLY A 12 1.464 -6.568 22.789 1.00 0.79 C ATOM 152 O GLY A 12 1.906 -7.423 23.528 1.00 0.73 O ATOM 0 H GLY A 12 0.276 -4.594 21.609 1.00 1.10 H new ATOM 0 HA2 GLY A 12 2.824 -4.913 23.064 1.00 0.96 H new ATOM 0 HA3 GLY A 12 1.392 -4.832 24.071 1.00 0.96 H new ATOM 156 N TYR A 13 0.740 -6.866 21.734 1.00 0.76 N ATOM 157 CA TYR A 13 0.470 -8.305 21.463 1.00 0.74 C ATOM 158 C TYR A 13 1.793 -9.029 21.265 1.00 0.77 C ATOM 159 O TYR A 13 1.990 -10.121 21.762 1.00 1.01 O ATOM 160 CB TYR A 13 -0.439 -8.443 20.212 1.00 0.75 C ATOM 161 CG TYR A 13 0.224 -9.228 19.064 1.00 0.77 C ATOM 162 CD1 TYR A 13 0.642 -10.552 19.183 1.00 0.91 C ATOM 163 CD2 TYR A 13 0.263 -8.646 17.828 1.00 0.73 C ATOM 164 CE1 TYR A 13 1.074 -11.249 18.063 1.00 0.92 C ATOM 165 CE2 TYR A 13 0.672 -9.338 16.726 1.00 0.84 C ATOM 166 CZ TYR A 13 1.087 -10.645 16.827 1.00 0.89 C ATOM 167 OH TYR A 13 1.508 -11.339 15.710 1.00 1.01 O ATOM 0 H TYR A 13 0.340 -6.199 21.074 1.00 0.76 H new ATOM 0 HA TYR A 13 -0.052 -8.755 22.308 1.00 0.74 H new ATOM 0 HB2 TYR A 13 -1.365 -8.942 20.497 1.00 0.75 H new ATOM 0 HB3 TYR A 13 -0.709 -7.449 19.855 1.00 0.75 H new ATOM 0 HD1 TYR A 13 0.630 -11.037 20.148 1.00 0.91 H new ATOM 0 HD2 TYR A 13 -0.037 -7.614 17.721 1.00 0.73 H new ATOM 0 HE1 TYR A 13 1.402 -12.273 18.163 1.00 0.92 H new ATOM 0 HE2 TYR A 13 0.670 -8.853 15.761 1.00 0.84 H new ATOM 0 HH TYR A 13 1.450 -10.758 14.923 1.00 1.01 H new ATOM 177 N CYS A 14 2.691 -8.394 20.569 1.00 0.70 N ATOM 178 CA CYS A 14 4.010 -9.028 20.329 1.00 0.80 C ATOM 179 C CYS A 14 4.979 -8.734 21.476 1.00 0.92 C ATOM 180 O CYS A 14 4.712 -7.908 22.327 1.00 1.26 O ATOM 181 CB CYS A 14 4.589 -8.443 19.034 1.00 0.90 C ATOM 182 SG CYS A 14 3.847 -6.915 18.406 1.00 1.24 S ATOM 0 H CYS A 14 2.568 -7.468 20.159 1.00 0.70 H new ATOM 0 HA CYS A 14 3.879 -10.108 20.256 1.00 0.80 H new ATOM 0 HB2 CYS A 14 5.652 -8.261 19.192 1.00 0.90 H new ATOM 0 HB3 CYS A 14 4.508 -9.202 18.256 1.00 0.90 H new ATOM 187 N LEU A 15 6.083 -9.430 21.474 1.00 0.89 N ATOM 188 CA LEU A 15 7.103 -9.227 22.541 1.00 1.04 C ATOM 189 C LEU A 15 8.203 -8.333 21.983 1.00 0.91 C ATOM 190 O LEU A 15 9.133 -7.944 22.663 1.00 1.37 O ATOM 191 CB LEU A 15 7.725 -10.590 22.905 1.00 1.20 C ATOM 192 CG LEU A 15 6.682 -11.708 22.769 1.00 1.07 C ATOM 193 CD1 LEU A 15 6.867 -12.419 21.422 1.00 0.94 C ATOM 194 CD2 LEU A 15 6.896 -12.724 23.893 1.00 1.21 C ATOM 0 H LEU A 15 6.323 -10.134 20.776 1.00 0.89 H new ATOM 0 HA LEU A 15 6.644 -8.776 23.421 1.00 1.04 H new ATOM 0 HB2 LEU A 15 8.574 -10.795 22.253 1.00 1.20 H new ATOM 0 HB3 LEU A 15 8.106 -10.562 23.926 1.00 1.20 H new ATOM 0 HG LEU A 15 5.680 -11.283 22.827 1.00 1.07 H new ATOM 0 HD11 LEU A 15 6.127 -13.213 21.325 1.00 0.94 H new ATOM 0 HD12 LEU A 15 6.738 -11.702 20.611 1.00 0.94 H new ATOM 0 HD13 LEU A 15 7.868 -12.848 21.371 1.00 0.94 H new ATOM 0 HD21 LEU A 15 6.160 -13.523 23.806 1.00 1.21 H new ATOM 0 HD22 LEU A 15 7.899 -13.144 23.817 1.00 1.21 H new ATOM 0 HD23 LEU A 15 6.782 -12.229 24.857 1.00 1.21 H new ATOM 206 N ASN A 16 8.036 -8.038 20.732 1.00 0.32 N ATOM 207 CA ASN A 16 8.991 -7.184 19.993 1.00 0.29 C ATOM 208 C ASN A 16 8.268 -5.916 19.516 1.00 0.22 C ATOM 209 O ASN A 16 8.589 -4.815 19.920 1.00 1.52 O ATOM 210 CB ASN A 16 9.398 -8.035 18.800 1.00 0.42 C ATOM 211 CG ASN A 16 8.594 -9.337 18.903 1.00 1.09 C ATOM 212 OD1 ASN A 16 7.503 -9.449 18.381 1.00 1.58 O ATOM 213 ND2 ASN A 16 9.083 -10.330 19.605 1.00 1.40 N ATOM 0 H ASN A 16 7.249 -8.366 20.173 1.00 0.32 H new ATOM 0 HA ASN A 16 9.846 -6.871 20.592 1.00 0.29 H new ATOM 0 HB2 ASN A 16 9.184 -7.519 17.864 1.00 0.42 H new ATOM 0 HB3 ASN A 16 10.469 -8.238 18.815 1.00 0.42 H new ATOM 0 HD21 ASN A 16 8.548 -11.192 19.711 1.00 1.40 H new ATOM 0 HD22 ASN A 16 9.999 -10.241 20.045 1.00 1.40 H new ATOM 220 N GLY A 17 7.295 -6.120 18.659 1.00 2.23 N ATOM 221 CA GLY A 17 6.499 -4.976 18.113 1.00 2.61 C ATOM 222 C GLY A 17 7.372 -3.893 17.471 1.00 0.47 C ATOM 223 O GLY A 17 8.260 -3.353 18.099 1.00 1.92 O ATOM 0 H GLY A 17 7.017 -7.038 18.312 1.00 2.23 H new ATOM 0 HA2 GLY A 17 5.793 -5.352 17.373 1.00 2.61 H new ATOM 0 HA3 GLY A 17 5.912 -4.532 18.917 1.00 2.61 H new ATOM 227 N GLY A 18 7.098 -3.596 16.224 1.00 1.15 N ATOM 228 CA GLY A 18 7.893 -2.554 15.527 1.00 2.63 C ATOM 229 C GLY A 18 7.009 -1.815 14.524 1.00 2.02 C ATOM 230 O GLY A 18 7.165 -0.630 14.315 1.00 2.53 O ATOM 0 H GLY A 18 6.362 -4.030 15.667 1.00 1.15 H new ATOM 0 HA2 GLY A 18 8.303 -1.851 16.252 1.00 2.63 H new ATOM 0 HA3 GLY A 18 8.738 -3.011 15.013 1.00 2.63 H new ATOM 234 N VAL A 19 6.101 -2.543 13.920 1.00 1.25 N ATOM 235 CA VAL A 19 5.197 -1.925 12.934 1.00 0.60 C ATOM 236 C VAL A 19 3.766 -2.401 13.133 1.00 0.81 C ATOM 237 O VAL A 19 3.526 -3.325 13.877 1.00 2.43 O ATOM 238 CB VAL A 19 5.646 -2.360 11.541 1.00 0.29 C ATOM 239 CG1 VAL A 19 5.335 -1.257 10.527 1.00 0.47 C ATOM 240 CG2 VAL A 19 7.149 -2.648 11.568 1.00 0.73 C ATOM 0 H VAL A 19 5.956 -3.541 14.076 1.00 1.25 H new ATOM 0 HA VAL A 19 5.232 -0.842 13.054 1.00 0.60 H new ATOM 0 HB VAL A 19 5.111 -3.263 11.246 1.00 0.29 H new ATOM 0 HG11 VAL A 19 5.658 -1.573 9.535 1.00 0.47 H new ATOM 0 HG12 VAL A 19 4.262 -1.065 10.516 1.00 0.47 H new ATOM 0 HG13 VAL A 19 5.863 -0.346 10.807 1.00 0.47 H new ATOM 0 HG21 VAL A 19 7.478 -2.959 10.576 1.00 0.73 H new ATOM 0 HG22 VAL A 19 7.687 -1.747 11.862 1.00 0.73 H new ATOM 0 HG23 VAL A 19 7.354 -3.443 12.285 1.00 0.73 H new ATOM 250 N CYS A 20 2.848 -1.750 12.468 1.00 0.95 N ATOM 251 CA CYS A 20 1.415 -2.144 12.592 1.00 0.56 C ATOM 252 C CYS A 20 0.755 -2.160 11.218 1.00 0.39 C ATOM 253 O CYS A 20 1.067 -1.339 10.376 1.00 0.77 O ATOM 254 CB CYS A 20 0.709 -1.142 13.500 1.00 0.78 C ATOM 255 SG CYS A 20 -0.419 0.036 12.722 1.00 0.83 S ATOM 0 H CYS A 20 3.029 -0.963 11.845 1.00 0.95 H new ATOM 0 HA CYS A 20 1.344 -3.144 13.020 1.00 0.56 H new ATOM 0 HB2 CYS A 20 0.147 -1.703 14.247 1.00 0.78 H new ATOM 0 HB3 CYS A 20 1.472 -0.575 14.034 1.00 0.78 H new ATOM 260 N MET A 21 -0.155 -3.084 11.011 1.00 0.21 N ATOM 261 CA MET A 21 -0.825 -3.144 9.679 1.00 0.47 C ATOM 262 C MET A 21 -2.227 -3.760 9.725 1.00 0.54 C ATOM 263 O MET A 21 -2.663 -4.285 10.729 1.00 0.50 O ATOM 264 CB MET A 21 0.000 -4.077 8.768 1.00 0.67 C ATOM 265 CG MET A 21 1.485 -4.120 9.179 1.00 0.63 C ATOM 266 SD MET A 21 2.564 -5.236 8.247 1.00 1.28 S ATOM 267 CE MET A 21 2.114 -4.669 6.592 1.00 0.79 C ATOM 0 H MET A 21 -0.455 -3.782 11.691 1.00 0.21 H new ATOM 0 HA MET A 21 -0.898 -2.116 9.325 1.00 0.47 H new ATOM 0 HB2 MET A 21 -0.416 -5.084 8.808 1.00 0.67 H new ATOM 0 HB3 MET A 21 -0.081 -3.739 7.735 1.00 0.67 H new ATOM 0 HG2 MET A 21 1.889 -3.111 9.096 1.00 0.63 H new ATOM 0 HG3 MET A 21 1.537 -4.399 10.231 1.00 0.63 H new ATOM 0 HE1 MET A 21 2.847 -5.032 5.871 1.00 0.79 H new ATOM 0 HE2 MET A 21 1.128 -5.053 6.331 1.00 0.79 H new ATOM 0 HE3 MET A 21 2.095 -3.579 6.573 1.00 0.79 H new ATOM 277 N HIS A 22 -2.892 -3.670 8.597 1.00 0.73 N ATOM 278 CA HIS A 22 -4.269 -4.222 8.465 1.00 0.79 C ATOM 279 C HIS A 22 -4.384 -4.954 7.128 1.00 0.64 C ATOM 280 O HIS A 22 -4.016 -4.414 6.102 1.00 1.50 O ATOM 281 CB HIS A 22 -5.292 -3.082 8.473 1.00 1.03 C ATOM 282 CG HIS A 22 -5.407 -2.465 7.076 1.00 0.58 C ATOM 283 ND1 HIS A 22 -6.116 -2.925 6.129 1.00 1.30 N ATOM 284 CD2 HIS A 22 -4.824 -1.324 6.562 1.00 1.98 C ATOM 285 CE1 HIS A 22 -6.025 -2.180 5.095 1.00 2.20 C ATOM 286 NE2 HIS A 22 -5.223 -1.148 5.291 1.00 2.61 N ATOM 0 H HIS A 22 -2.529 -3.229 7.752 1.00 0.73 H new ATOM 0 HA HIS A 22 -4.462 -4.899 9.297 1.00 0.79 H new ATOM 0 HB2 HIS A 22 -6.264 -3.458 8.794 1.00 1.03 H new ATOM 0 HB3 HIS A 22 -4.992 -2.319 9.192 1.00 1.03 H new ATOM 0 HD1 HIS A 22 -6.681 -3.773 6.186 1.00 1.30 H new ATOM 0 HD2 HIS A 22 -4.150 -0.673 7.099 1.00 1.98 H new ATOM 0 HE1 HIS A 22 -6.544 -2.372 4.167 1.00 2.20 H new ATOM 294 N ILE A 23 -4.854 -6.173 7.156 1.00 2.86 N ATOM 295 CA ILE A 23 -4.990 -6.934 5.879 1.00 2.90 C ATOM 296 C ILE A 23 -6.458 -7.078 5.496 1.00 3.16 C ATOM 297 O ILE A 23 -6.934 -6.404 4.605 1.00 1.85 O ATOM 298 CB ILE A 23 -4.383 -8.332 6.053 1.00 2.70 C ATOM 299 CG1 ILE A 23 -2.960 -8.213 6.588 1.00 2.57 C ATOM 300 CG2 ILE A 23 -4.314 -9.019 4.681 1.00 2.59 C ATOM 301 CD1 ILE A 23 -2.959 -8.465 8.094 1.00 2.36 C ATOM 0 H ILE A 23 -5.147 -6.670 7.997 1.00 2.86 H new ATOM 0 HA ILE A 23 -4.467 -6.390 5.092 1.00 2.90 H new ATOM 0 HB ILE A 23 -4.999 -8.905 6.746 1.00 2.70 H new ATOM 0 HG12 ILE A 23 -2.311 -8.932 6.088 1.00 2.57 H new ATOM 0 HG13 ILE A 23 -2.562 -7.221 6.374 1.00 2.57 H new ATOM 0 HG21 ILE A 23 -3.884 -10.014 4.794 1.00 2.59 H new ATOM 0 HG22 ILE A 23 -5.318 -9.103 4.265 1.00 2.59 H new ATOM 0 HG23 ILE A 23 -3.691 -8.428 4.009 1.00 2.59 H new ATOM 0 HD11 ILE A 23 -1.942 -8.380 8.476 1.00 2.36 H new ATOM 0 HD12 ILE A 23 -3.595 -7.729 8.586 1.00 2.36 H new ATOM 0 HD13 ILE A 23 -3.340 -9.466 8.296 1.00 2.36 H new ATOM 313 N GLU A 24 -7.152 -7.952 6.176 1.00 5.31 N ATOM 314 CA GLU A 24 -8.593 -8.141 5.853 1.00 5.76 C ATOM 315 C GLU A 24 -9.434 -6.986 6.387 1.00 5.17 C ATOM 316 O GLU A 24 -8.915 -6.051 6.965 1.00 4.72 O ATOM 317 CB GLU A 24 -9.064 -9.447 6.502 1.00 8.41 C ATOM 318 CG GLU A 24 -8.809 -10.606 5.535 1.00 9.09 C ATOM 319 CD GLU A 24 -10.018 -10.775 4.612 1.00 10.00 C ATOM 320 OE1 GLU A 24 -10.387 -9.777 4.015 1.00 10.30 O ATOM 321 OE2 GLU A 24 -10.504 -11.892 4.556 1.00 10.50 O ATOM 0 H GLU A 24 -6.789 -8.535 6.930 1.00 5.31 H new ATOM 0 HA GLU A 24 -8.712 -8.176 4.770 1.00 5.76 H new ATOM 0 HB2 GLU A 24 -8.532 -9.615 7.439 1.00 8.41 H new ATOM 0 HB3 GLU A 24 -10.125 -9.386 6.744 1.00 8.41 H new ATOM 0 HG2 GLU A 24 -7.913 -10.412 4.946 1.00 9.09 H new ATOM 0 HG3 GLU A 24 -8.632 -11.526 6.092 1.00 9.09 H new ATOM 328 N SER A 25 -10.721 -7.074 6.185 1.00 5.96 N ATOM 329 CA SER A 25 -11.618 -5.992 6.671 1.00 6.60 C ATOM 330 C SER A 25 -11.513 -5.818 8.184 1.00 6.40 C ATOM 331 O SER A 25 -10.588 -5.210 8.684 1.00 5.98 O ATOM 332 CB SER A 25 -13.063 -6.372 6.326 1.00 8.21 C ATOM 333 OG SER A 25 -13.158 -7.740 6.696 1.00 9.48 O ATOM 0 H SER A 25 -11.186 -7.845 5.707 1.00 5.96 H new ATOM 0 HA SER A 25 -11.324 -5.057 6.194 1.00 6.60 H new ATOM 0 HB2 SER A 25 -13.778 -5.760 6.875 1.00 8.21 H new ATOM 0 HB3 SER A 25 -13.270 -6.230 5.265 1.00 8.21 H new ATOM 0 HG SER A 25 -14.062 -8.068 6.508 1.00 9.48 H new ATOM 339 N LEU A 26 -12.471 -6.363 8.880 1.00 7.08 N ATOM 340 CA LEU A 26 -12.466 -6.251 10.364 1.00 6.95 C ATOM 341 C LEU A 26 -11.498 -7.248 10.997 1.00 5.96 C ATOM 342 O LEU A 26 -10.851 -8.020 10.313 1.00 5.68 O ATOM 343 CB LEU A 26 -13.884 -6.570 10.863 1.00 8.19 C ATOM 344 CG LEU A 26 -14.606 -5.276 11.252 1.00 9.55 C ATOM 345 CD1 LEU A 26 -14.833 -4.427 9.998 1.00 10.00 C ATOM 346 CD2 LEU A 26 -15.962 -5.627 11.870 1.00 11.00 C ATOM 0 H LEU A 26 -13.256 -6.881 8.485 1.00 7.08 H new ATOM 0 HA LEU A 26 -12.152 -5.245 10.641 1.00 6.95 H new ATOM 0 HB2 LEU A 26 -14.444 -7.089 10.085 1.00 8.19 H new ATOM 0 HB3 LEU A 26 -13.834 -7.240 11.721 1.00 8.19 H new ATOM 0 HG LEU A 26 -14.003 -4.719 11.969 1.00 9.55 H new ATOM 0 HD11 LEU A 26 -15.347 -3.505 10.271 1.00 10.00 H new ATOM 0 HD12 LEU A 26 -13.872 -4.186 9.543 1.00 10.00 H new ATOM 0 HD13 LEU A 26 -15.442 -4.985 9.286 1.00 10.00 H new ATOM 0 HD21 LEU A 26 -16.482 -4.711 12.150 1.00 11.00 H new ATOM 0 HD22 LEU A 26 -16.561 -6.178 11.145 1.00 11.00 H new ATOM 0 HD23 LEU A 26 -15.809 -6.243 12.756 1.00 11.00 H new ATOM 358 N ASP A 27 -11.419 -7.207 12.299 1.00 5.82 N ATOM 359 CA ASP A 27 -10.509 -8.137 13.020 1.00 5.17 C ATOM 360 C ASP A 27 -9.133 -8.202 12.353 1.00 4.67 C ATOM 361 O ASP A 27 -8.688 -7.239 11.766 1.00 4.92 O ATOM 362 CB ASP A 27 -11.155 -9.526 13.008 1.00 4.17 C ATOM 363 CG ASP A 27 -12.511 -9.443 13.713 1.00 4.65 C ATOM 364 OD1 ASP A 27 -12.540 -8.808 14.756 1.00 4.34 O ATOM 365 OD2 ASP A 27 -13.440 -10.015 13.170 1.00 5.35 O ATOM 0 H ASP A 27 -11.947 -6.568 12.894 1.00 5.82 H new ATOM 0 HA ASP A 27 -10.361 -7.781 14.040 1.00 5.17 H new ATOM 0 HB2 ASP A 27 -11.283 -9.874 11.983 1.00 4.17 H new ATOM 0 HB3 ASP A 27 -10.511 -10.247 13.512 1.00 4.17 H new ATOM 370 N SER A 28 -8.484 -9.336 12.472 1.00 4.01 N ATOM 371 CA SER A 28 -7.135 -9.493 11.859 1.00 3.53 C ATOM 372 C SER A 28 -6.138 -8.533 12.508 1.00 3.26 C ATOM 373 O SER A 28 -5.886 -8.635 13.692 1.00 4.85 O ATOM 374 CB SER A 28 -7.228 -9.208 10.350 1.00 3.91 C ATOM 375 OG SER A 28 -5.983 -9.669 9.843 1.00 3.49 O ATOM 0 H SER A 28 -8.833 -10.156 12.967 1.00 4.01 H new ATOM 0 HA SER A 28 -6.787 -10.513 12.020 1.00 3.53 H new ATOM 0 HB2 SER A 28 -8.066 -9.735 9.894 1.00 3.91 H new ATOM 0 HB3 SER A 28 -7.373 -8.146 10.151 1.00 3.91 H new ATOM 0 HG SER A 28 -5.952 -9.528 8.874 1.00 3.49 H new ATOM 381 N TYR A 29 -5.585 -7.633 11.725 1.00 1.28 N ATOM 382 CA TYR A 29 -4.597 -6.653 12.275 1.00 0.88 C ATOM 383 C TYR A 29 -3.416 -7.354 12.942 1.00 0.84 C ATOM 384 O TYR A 29 -3.589 -8.294 13.691 1.00 0.92 O ATOM 385 CB TYR A 29 -5.288 -5.788 13.337 1.00 0.94 C ATOM 386 CG TYR A 29 -6.385 -4.940 12.702 1.00 1.01 C ATOM 387 CD1 TYR A 29 -6.065 -3.923 11.830 1.00 0.68 C ATOM 388 CD2 TYR A 29 -7.711 -5.161 13.019 1.00 1.42 C ATOM 389 CE1 TYR A 29 -7.053 -3.136 11.284 1.00 0.78 C ATOM 390 CE2 TYR A 29 -8.701 -4.373 12.470 1.00 1.51 C ATOM 391 CZ TYR A 29 -8.379 -3.355 11.598 1.00 1.19 C ATOM 392 OH TYR A 29 -9.369 -2.568 11.045 1.00 1.28 O ATOM 0 H TYR A 29 -5.777 -7.537 10.728 1.00 1.28 H new ATOM 0 HA TYR A 29 -4.229 -6.052 11.443 1.00 0.88 H new ATOM 0 HB2 TYR A 29 -5.715 -6.425 14.112 1.00 0.94 H new ATOM 0 HB3 TYR A 29 -4.556 -5.143 13.822 1.00 0.94 H new ATOM 0 HD1 TYR A 29 -5.032 -3.742 11.573 1.00 0.68 H new ATOM 0 HD2 TYR A 29 -7.974 -5.956 13.701 1.00 1.42 H new ATOM 0 HE1 TYR A 29 -6.788 -2.340 10.604 1.00 0.78 H new ATOM 0 HE2 TYR A 29 -9.735 -4.555 12.725 1.00 1.51 H new ATOM 0 HH TYR A 29 -10.244 -2.863 11.375 1.00 1.28 H new ATOM 402 N THR A 30 -2.231 -6.883 12.668 1.00 0.72 N ATOM 403 CA THR A 30 -1.050 -7.531 13.294 1.00 0.69 C ATOM 404 C THR A 30 0.155 -6.600 13.297 1.00 0.70 C ATOM 405 O THR A 30 0.259 -5.697 12.490 1.00 0.52 O ATOM 406 CB THR A 30 -0.700 -8.776 12.478 1.00 0.67 C ATOM 407 OG1 THR A 30 0.597 -9.154 12.906 1.00 0.29 O ATOM 408 CG2 THR A 30 -0.532 -8.410 10.997 1.00 1.17 C ATOM 0 H THR A 30 -2.033 -6.095 12.051 1.00 0.72 H new ATOM 0 HA THR A 30 -1.294 -7.784 14.326 1.00 0.69 H new ATOM 0 HB THR A 30 -1.470 -9.537 12.603 1.00 0.67 H new ATOM 0 HG1 THR A 30 0.882 -9.955 12.418 1.00 0.29 H new ATOM 0 HG21 THR A 30 -0.283 -9.305 10.427 1.00 1.17 H new ATOM 0 HG22 THR A 30 -1.462 -7.986 10.619 1.00 1.17 H new ATOM 0 HG23 THR A 30 0.269 -7.678 10.892 1.00 1.17 H new ATOM 416 N CYS A 31 1.042 -6.855 14.214 1.00 0.98 N ATOM 417 CA CYS A 31 2.258 -6.024 14.322 1.00 1.03 C ATOM 418 C CYS A 31 3.412 -6.685 13.577 1.00 1.00 C ATOM 419 O CYS A 31 3.800 -7.790 13.904 1.00 0.99 O ATOM 420 CB CYS A 31 2.638 -5.920 15.804 1.00 1.03 C ATOM 421 SG CYS A 31 2.962 -7.473 16.678 1.00 1.28 S ATOM 0 H CYS A 31 0.972 -7.610 14.896 1.00 0.98 H new ATOM 0 HA CYS A 31 2.066 -5.040 13.893 1.00 1.03 H new ATOM 0 HB2 CYS A 31 3.527 -5.294 15.883 1.00 1.03 H new ATOM 0 HB3 CYS A 31 1.834 -5.399 16.325 1.00 1.03 H new ATOM 426 N ASN A 32 3.950 -6.016 12.593 1.00 1.06 N ATOM 427 CA ASN A 32 5.076 -6.644 11.854 1.00 1.07 C ATOM 428 C ASN A 32 6.313 -6.718 12.747 1.00 1.04 C ATOM 429 O ASN A 32 6.611 -5.796 13.493 1.00 1.23 O ATOM 430 CB ASN A 32 5.380 -5.836 10.592 1.00 0.99 C ATOM 431 CG ASN A 32 5.649 -6.802 9.439 1.00 1.12 C ATOM 432 OD1 ASN A 32 6.152 -7.892 9.632 1.00 1.68 O ATOM 433 ND2 ASN A 32 5.324 -6.447 8.225 1.00 0.78 N ATOM 0 H ASN A 32 3.667 -5.088 12.277 1.00 1.06 H new ATOM 0 HA ASN A 32 4.794 -7.657 11.566 1.00 1.07 H new ATOM 0 HB2 ASN A 32 4.540 -5.185 10.350 1.00 0.99 H new ATOM 0 HB3 ASN A 32 6.245 -5.193 10.755 1.00 0.99 H new ATOM 0 HD21 ASN A 32 5.492 -7.083 7.445 1.00 0.78 H new ATOM 0 HD22 ASN A 32 4.902 -5.534 8.056 1.00 0.78 H new ATOM 440 N CYS A 33 7.010 -7.817 12.626 1.00 0.82 N ATOM 441 CA CYS A 33 8.239 -8.042 13.435 1.00 0.76 C ATOM 442 C CYS A 33 9.329 -6.988 13.220 1.00 1.01 C ATOM 443 O CYS A 33 9.033 -5.898 12.774 1.00 1.17 O ATOM 444 CB CYS A 33 8.732 -9.446 13.099 1.00 0.57 C ATOM 445 SG CYS A 33 8.080 -10.748 14.157 1.00 0.18 S ATOM 0 H CYS A 33 6.774 -8.579 11.990 1.00 0.82 H new ATOM 0 HA CYS A 33 7.994 -7.947 14.493 1.00 0.76 H new ATOM 0 HB2 CYS A 33 8.468 -9.671 12.066 1.00 0.57 H new ATOM 0 HB3 CYS A 33 9.820 -9.458 13.160 1.00 0.57 H new ATOM 450 N VAL A 34 10.579 -7.319 13.544 1.00 1.07 N ATOM 451 CA VAL A 34 11.653 -6.298 13.350 1.00 1.32 C ATOM 452 C VAL A 34 12.960 -6.827 12.762 1.00 1.34 C ATOM 453 O VAL A 34 13.088 -7.976 12.380 1.00 1.18 O ATOM 454 CB VAL A 34 11.965 -5.660 14.705 1.00 1.36 C ATOM 455 CG1 VAL A 34 11.660 -4.169 14.619 1.00 1.58 C ATOM 456 CG2 VAL A 34 11.104 -6.296 15.797 1.00 1.21 C ATOM 0 H VAL A 34 10.879 -8.219 13.919 1.00 1.07 H new ATOM 0 HA VAL A 34 11.259 -5.590 12.621 1.00 1.32 H new ATOM 0 HB VAL A 34 13.015 -5.818 14.952 1.00 1.36 H new ATOM 0 HG11 VAL A 34 11.877 -3.697 15.577 1.00 1.58 H new ATOM 0 HG12 VAL A 34 12.277 -3.715 13.843 1.00 1.58 H new ATOM 0 HG13 VAL A 34 10.607 -4.026 14.374 1.00 1.58 H new ATOM 0 HG21 VAL A 34 11.334 -5.834 16.757 1.00 1.21 H new ATOM 0 HG22 VAL A 34 10.050 -6.143 15.565 1.00 1.21 H new ATOM 0 HG23 VAL A 34 11.313 -7.365 15.849 1.00 1.21 H new ATOM 466 N ILE A 35 13.924 -5.945 12.798 1.00 1.59 N ATOM 467 CA ILE A 35 15.271 -6.228 12.278 1.00 1.69 C ATOM 468 C ILE A 35 16.088 -7.068 13.252 1.00 1.39 C ATOM 469 O ILE A 35 16.868 -6.550 14.014 1.00 1.23 O ATOM 470 CB ILE A 35 15.935 -4.855 12.114 1.00 2.08 C ATOM 471 CG1 ILE A 35 15.337 -4.079 10.926 1.00 2.42 C ATOM 472 CG2 ILE A 35 17.437 -5.030 11.910 1.00 2.17 C ATOM 473 CD1 ILE A 35 15.495 -4.856 9.608 1.00 2.48 C ATOM 0 H ILE A 35 13.816 -5.007 13.184 1.00 1.59 H new ATOM 0 HA ILE A 35 15.215 -6.792 11.347 1.00 1.69 H new ATOM 0 HB ILE A 35 15.750 -4.280 13.021 1.00 2.08 H new ATOM 0 HG12 ILE A 35 14.280 -3.886 11.111 1.00 2.42 H new ATOM 0 HG13 ILE A 35 15.828 -3.110 10.839 1.00 2.42 H new ATOM 0 HG21 ILE A 35 17.905 -4.052 11.794 1.00 2.17 H new ATOM 0 HG22 ILE A 35 17.865 -5.537 12.775 1.00 2.17 H new ATOM 0 HG23 ILE A 35 17.616 -5.626 11.015 1.00 2.17 H new ATOM 0 HD11 ILE A 35 15.062 -4.279 8.791 1.00 2.48 H new ATOM 0 HD12 ILE A 35 16.553 -5.026 9.411 1.00 2.48 H new ATOM 0 HD13 ILE A 35 14.982 -5.814 9.687 1.00 2.48 H new ATOM 485 N GLY A 36 15.915 -8.349 13.190 1.00 1.34 N ATOM 486 CA GLY A 36 16.682 -9.218 14.113 1.00 1.11 C ATOM 487 C GLY A 36 15.843 -10.377 14.543 1.00 0.80 C ATOM 488 O GLY A 36 16.357 -11.373 15.013 1.00 0.66 O ATOM 0 H GLY A 36 15.284 -8.830 12.549 1.00 1.34 H new ATOM 0 HA2 GLY A 36 17.586 -9.576 13.621 1.00 1.11 H new ATOM 0 HA3 GLY A 36 16.999 -8.646 14.985 1.00 1.11 H new ATOM 492 N TYR A 37 14.566 -10.232 14.389 1.00 0.71 N ATOM 493 CA TYR A 37 13.720 -11.342 14.800 1.00 0.44 C ATOM 494 C TYR A 37 12.432 -11.497 14.033 1.00 0.45 C ATOM 495 O TYR A 37 11.818 -10.529 13.595 1.00 0.52 O ATOM 496 CB TYR A 37 13.488 -11.308 16.266 1.00 0.35 C ATOM 497 CG TYR A 37 13.170 -9.983 16.916 1.00 0.53 C ATOM 498 CD1 TYR A 37 13.483 -8.746 16.388 1.00 0.76 C ATOM 499 CD2 TYR A 37 12.869 -10.078 18.236 1.00 0.63 C ATOM 500 CE1 TYR A 37 13.532 -7.649 17.197 1.00 0.97 C ATOM 501 CE2 TYR A 37 12.925 -9.007 19.065 1.00 0.93 C ATOM 502 CZ TYR A 37 13.249 -7.757 18.555 1.00 1.06 C ATOM 503 OH TYR A 37 13.253 -6.637 19.361 1.00 1.34 O ATOM 0 H TYR A 37 14.092 -9.414 14.007 1.00 0.71 H new ATOM 0 HA TYR A 37 14.284 -12.239 14.543 1.00 0.44 H new ATOM 0 HB2 TYR A 37 12.668 -11.991 16.487 1.00 0.35 H new ATOM 0 HB3 TYR A 37 14.377 -11.710 16.751 1.00 0.35 H new ATOM 0 HD1 TYR A 37 13.689 -8.647 15.333 1.00 0.76 H new ATOM 0 HD2 TYR A 37 12.576 -11.036 18.638 1.00 0.63 H new ATOM 0 HE1 TYR A 37 13.793 -6.688 16.780 1.00 0.97 H new ATOM 0 HE2 TYR A 37 12.718 -9.126 20.118 1.00 0.93 H new ATOM 0 HH TYR A 37 14.053 -6.103 19.175 1.00 1.34 H new ATOM 513 N SER A 38 12.043 -12.749 13.931 1.00 0.46 N ATOM 514 CA SER A 38 10.791 -13.079 13.194 1.00 0.53 C ATOM 515 C SER A 38 10.362 -14.537 13.418 1.00 0.85 C ATOM 516 O SER A 38 10.180 -14.984 14.544 1.00 0.80 O ATOM 517 CB SER A 38 11.066 -12.885 11.699 1.00 1.00 C ATOM 518 OG SER A 38 9.800 -13.059 11.084 1.00 2.07 O ATOM 0 H SER A 38 12.539 -13.548 14.326 1.00 0.46 H new ATOM 0 HA SER A 38 9.992 -12.431 13.555 1.00 0.53 H new ATOM 0 HB2 SER A 38 11.475 -11.895 11.495 1.00 1.00 H new ATOM 0 HB3 SER A 38 11.790 -13.611 11.330 1.00 1.00 H new ATOM 0 HG SER A 38 9.889 -12.948 10.114 1.00 2.07 H new ATOM 524 N GLY A 39 10.205 -15.241 12.323 1.00 1.62 N ATOM 525 CA GLY A 39 9.790 -16.671 12.405 1.00 2.20 C ATOM 526 C GLY A 39 8.270 -16.777 12.290 1.00 2.53 C ATOM 527 O GLY A 39 7.747 -17.578 11.540 1.00 3.47 O ATOM 0 H GLY A 39 10.347 -14.885 11.378 1.00 1.62 H new ATOM 0 HA2 GLY A 39 10.265 -17.243 11.608 1.00 2.20 H new ATOM 0 HA3 GLY A 39 10.123 -17.102 13.349 1.00 2.20 H new ATOM 531 N ASP A 40 7.599 -15.955 13.042 1.00 2.59 N ATOM 532 CA ASP A 40 6.114 -15.961 13.018 1.00 2.69 C ATOM 533 C ASP A 40 5.597 -14.719 13.734 1.00 1.90 C ATOM 534 O ASP A 40 4.568 -14.174 13.393 1.00 1.94 O ATOM 535 CB ASP A 40 5.626 -17.203 13.771 1.00 3.27 C ATOM 536 CG ASP A 40 4.370 -17.751 13.093 1.00 3.50 C ATOM 537 OD1 ASP A 40 3.507 -16.937 12.809 1.00 5.14 O ATOM 538 OD2 ASP A 40 4.344 -18.956 12.896 1.00 2.82 O ATOM 0 H ASP A 40 8.018 -15.275 13.676 1.00 2.59 H new ATOM 0 HA ASP A 40 5.754 -15.970 11.989 1.00 2.69 H new ATOM 0 HB2 ASP A 40 6.407 -17.964 13.783 1.00 3.27 H new ATOM 0 HB3 ASP A 40 5.411 -16.950 14.809 1.00 3.27 H new ATOM 543 N ARG A 41 6.342 -14.314 14.723 1.00 1.24 N ATOM 544 CA ARG A 41 5.972 -13.118 15.514 1.00 0.76 C ATOM 545 C ARG A 41 7.228 -12.677 16.297 1.00 0.62 C ATOM 546 O ARG A 41 7.169 -12.021 17.315 1.00 0.66 O ATOM 547 CB ARG A 41 4.766 -13.543 16.418 1.00 1.67 C ATOM 548 CG ARG A 41 4.916 -13.116 17.881 1.00 0.45 C ATOM 549 CD ARG A 41 3.722 -13.648 18.676 1.00 1.66 C ATOM 550 NE ARG A 41 4.160 -14.784 19.529 1.00 1.98 N ATOM 551 CZ ARG A 41 3.276 -15.662 19.910 1.00 2.58 C ATOM 552 NH1 ARG A 41 2.470 -15.356 20.894 1.00 2.66 N ATOM 553 NH2 ARG A 41 3.219 -16.807 19.291 1.00 3.15 N ATOM 0 H ARG A 41 7.205 -14.771 15.018 1.00 1.24 H new ATOM 0 HA ARG A 41 5.655 -12.261 14.920 1.00 0.76 H new ATOM 0 HB2 ARG A 41 3.850 -13.111 16.014 1.00 1.67 H new ATOM 0 HB3 ARG A 41 4.654 -14.626 16.374 1.00 1.67 H new ATOM 0 HG2 ARG A 41 5.847 -13.504 18.294 1.00 0.45 H new ATOM 0 HG3 ARG A 41 4.964 -12.029 17.954 1.00 0.45 H new ATOM 0 HD2 ARG A 41 3.302 -12.855 19.295 1.00 1.66 H new ATOM 0 HD3 ARG A 41 2.934 -13.973 17.996 1.00 1.66 H new ATOM 0 HE ARG A 41 5.136 -14.875 19.811 1.00 1.98 H new ATOM 0 HH11 ARG A 41 2.541 -14.445 21.347 1.00 2.66 H new ATOM 0 HH12 ARG A 41 1.770 -16.029 21.208 1.00 2.66 H new ATOM 0 HH21 ARG A 41 3.860 -17.004 18.522 1.00 3.15 H new ATOM 0 HH22 ARG A 41 2.534 -17.507 19.575 1.00 3.15 H new ATOM 567 N CYS A 42 8.367 -12.997 15.712 1.00 0.47 N ATOM 568 CA CYS A 42 9.684 -12.651 16.336 1.00 0.37 C ATOM 569 C CYS A 42 9.832 -13.400 17.620 1.00 0.58 C ATOM 570 O CYS A 42 10.702 -13.112 18.417 1.00 0.63 O ATOM 571 CB CYS A 42 9.863 -11.153 16.539 1.00 0.37 C ATOM 572 SG CYS A 42 8.516 -10.080 16.010 1.00 0.57 S ATOM 0 H CYS A 42 8.435 -13.488 14.820 1.00 0.47 H new ATOM 0 HA CYS A 42 10.475 -12.951 15.648 1.00 0.37 H new ATOM 0 HB2 CYS A 42 10.039 -10.975 17.600 1.00 0.37 H new ATOM 0 HB3 CYS A 42 10.766 -10.847 16.010 1.00 0.37 H new ATOM 577 N GLN A 43 8.963 -14.363 17.812 1.00 0.70 N ATOM 578 CA GLN A 43 9.078 -15.135 19.047 1.00 0.90 C ATOM 579 C GLN A 43 10.493 -15.653 18.964 1.00 1.01 C ATOM 580 O GLN A 43 11.150 -15.926 19.949 1.00 1.20 O ATOM 581 CB GLN A 43 8.079 -16.301 19.034 1.00 0.95 C ATOM 582 CG GLN A 43 7.723 -16.637 17.585 1.00 3.11 C ATOM 583 CD GLN A 43 7.080 -18.023 17.523 1.00 3.58 C ATOM 584 OE1 GLN A 43 7.697 -19.019 17.843 1.00 4.71 O ATOM 585 NE2 GLN A 43 5.843 -18.133 17.122 1.00 3.18 N ATOM 0 H GLN A 43 8.209 -14.628 17.179 1.00 0.70 H new ATOM 0 HA GLN A 43 8.871 -14.563 19.952 1.00 0.90 H new ATOM 0 HB2 GLN A 43 8.511 -17.172 19.527 1.00 0.95 H new ATOM 0 HB3 GLN A 43 7.180 -16.033 19.590 1.00 0.95 H new ATOM 0 HG2 GLN A 43 7.038 -15.889 17.185 1.00 3.11 H new ATOM 0 HG3 GLN A 43 8.619 -16.613 16.965 1.00 3.11 H new ATOM 0 HE21 GLN A 43 5.319 -17.301 16.852 1.00 3.18 H new ATOM 0 HE22 GLN A 43 5.401 -19.051 17.079 1.00 3.18 H new ATOM 594 N THR A 44 10.925 -15.763 17.722 1.00 0.92 N ATOM 595 CA THR A 44 12.283 -16.239 17.451 1.00 1.05 C ATOM 596 C THR A 44 13.150 -15.002 17.548 1.00 0.80 C ATOM 597 O THR A 44 13.550 -14.418 16.543 1.00 0.61 O ATOM 598 CB THR A 44 12.353 -16.792 16.026 1.00 1.15 C ATOM 599 OG1 THR A 44 11.417 -17.852 15.978 1.00 1.31 O ATOM 600 CG2 THR A 44 13.710 -17.454 15.769 1.00 1.53 C ATOM 0 H THR A 44 10.374 -15.536 16.894 1.00 0.92 H new ATOM 0 HA THR A 44 12.594 -17.026 18.138 1.00 1.05 H new ATOM 0 HB THR A 44 12.178 -15.988 15.311 1.00 1.15 H new ATOM 0 HG1 THR A 44 11.416 -18.247 15.081 1.00 1.31 H new ATOM 0 HG21 THR A 44 13.739 -17.841 14.750 1.00 1.53 H new ATOM 0 HG22 THR A 44 14.504 -16.719 15.901 1.00 1.53 H new ATOM 0 HG23 THR A 44 13.854 -18.274 16.473 1.00 1.53 H new ATOM 608 N ARG A 45 13.330 -14.582 18.769 1.00 0.89 N ATOM 609 CA ARG A 45 14.146 -13.384 19.036 1.00 0.77 C ATOM 610 C ARG A 45 15.616 -13.727 19.053 1.00 0.90 C ATOM 611 O ARG A 45 16.031 -14.667 19.702 1.00 1.37 O ATOM 612 CB ARG A 45 13.717 -12.815 20.398 1.00 1.09 C ATOM 613 CG ARG A 45 14.793 -11.865 20.910 1.00 1.39 C ATOM 614 CD ARG A 45 14.224 -10.992 22.033 1.00 1.61 C ATOM 615 NE ARG A 45 14.591 -11.588 23.352 1.00 1.89 N ATOM 616 CZ ARG A 45 14.424 -12.870 23.550 1.00 3.27 C ATOM 617 NH1 ARG A 45 13.222 -13.373 23.465 1.00 4.59 N ATOM 618 NH2 ARG A 45 15.468 -13.605 23.827 1.00 3.62 N ATOM 0 H ARG A 45 12.938 -15.029 19.598 1.00 0.89 H new ATOM 0 HA ARG A 45 13.991 -12.647 18.248 1.00 0.77 H new ATOM 0 HB2 ARG A 45 12.767 -12.289 20.302 1.00 1.09 H new ATOM 0 HB3 ARG A 45 13.562 -13.625 21.111 1.00 1.09 H new ATOM 0 HG2 ARG A 45 15.648 -12.433 21.277 1.00 1.39 H new ATOM 0 HG3 ARG A 45 15.153 -11.236 20.096 1.00 1.39 H new ATOM 0 HD2 ARG A 45 14.617 -9.978 21.956 1.00 1.61 H new ATOM 0 HD3 ARG A 45 13.140 -10.921 21.941 1.00 1.61 H new ATOM 0 HE ARG A 45 14.970 -10.999 24.094 1.00 1.89 H new ATOM 0 HH11 ARG A 45 12.430 -12.768 23.247 1.00 4.59 H new ATOM 0 HH12 ARG A 45 13.075 -14.371 23.617 1.00 4.59 H new ATOM 0 HH21 ARG A 45 16.392 -13.177 23.885 1.00 3.62 H new ATOM 0 HH22 ARG A 45 15.359 -14.607 23.985 1.00 3.62 H new ATOM 632 N ASP A 46 16.377 -12.971 18.316 1.00 0.50 N ATOM 633 CA ASP A 46 17.826 -13.251 18.290 1.00 0.68 C ATOM 634 C ASP A 46 18.481 -12.720 19.555 1.00 0.83 C ATOM 635 O ASP A 46 19.510 -12.074 19.506 1.00 0.70 O ATOM 636 CB ASP A 46 18.449 -12.576 17.061 1.00 0.60 C ATOM 637 CG ASP A 46 19.931 -12.951 16.976 1.00 1.78 C ATOM 638 OD1 ASP A 46 20.190 -14.007 16.424 1.00 2.33 O ATOM 639 OD2 ASP A 46 20.720 -12.159 17.467 1.00 2.88 O ATOM 0 H ASP A 46 16.062 -12.188 17.743 1.00 0.50 H new ATOM 0 HA ASP A 46 17.985 -14.328 18.236 1.00 0.68 H new ATOM 0 HB2 ASP A 46 17.930 -12.891 16.156 1.00 0.60 H new ATOM 0 HB3 ASP A 46 18.339 -11.494 17.131 1.00 0.60 H new ATOM 644 N LEU A 47 17.850 -13.038 20.657 1.00 1.29 N ATOM 645 CA LEU A 47 18.329 -12.611 22.008 1.00 1.76 C ATOM 646 C LEU A 47 19.359 -11.505 21.962 1.00 2.07 C ATOM 647 O LEU A 47 20.514 -11.709 21.642 1.00 3.48 O ATOM 648 CB LEU A 47 18.946 -13.821 22.724 1.00 2.26 C ATOM 649 CG LEU A 47 18.117 -15.074 22.435 1.00 2.49 C ATOM 650 CD1 LEU A 47 18.733 -15.833 21.258 1.00 2.65 C ATOM 651 CD2 LEU A 47 18.126 -15.978 23.670 1.00 3.52 C ATOM 0 H LEU A 47 16.995 -13.594 20.676 1.00 1.29 H new ATOM 0 HA LEU A 47 17.461 -12.222 22.540 1.00 1.76 H new ATOM 0 HB2 LEU A 47 19.973 -13.968 22.389 1.00 2.26 H new ATOM 0 HB3 LEU A 47 18.984 -13.639 23.798 1.00 2.26 H new ATOM 0 HG LEU A 47 17.094 -14.786 22.191 1.00 2.49 H new ATOM 0 HD11 LEU A 47 18.143 -16.726 21.052 1.00 2.65 H new ATOM 0 HD12 LEU A 47 18.742 -15.192 20.376 1.00 2.65 H new ATOM 0 HD13 LEU A 47 19.754 -16.123 21.506 1.00 2.65 H new ATOM 0 HD21 LEU A 47 17.537 -16.873 23.470 1.00 3.52 H new ATOM 0 HD22 LEU A 47 19.151 -16.264 23.904 1.00 3.52 H new ATOM 0 HD23 LEU A 47 17.696 -15.442 24.516 1.00 3.52 H new ATOM 663 N ARG A 48 18.890 -10.354 22.298 1.00 1.48 N ATOM 664 CA ARG A 48 19.745 -9.162 22.316 1.00 1.54 C ATOM 665 C ARG A 48 20.475 -8.912 21.015 1.00 1.16 C ATOM 666 O ARG A 48 21.164 -9.756 20.478 1.00 1.61 O ATOM 667 CB ARG A 48 20.726 -9.304 23.478 1.00 2.38 C ATOM 668 CG ARG A 48 19.964 -9.055 24.798 1.00 2.95 C ATOM 669 CD ARG A 48 19.110 -10.271 25.182 1.00 2.98 C ATOM 670 NE ARG A 48 19.899 -11.527 25.013 1.00 5.14 N ATOM 671 CZ ARG A 48 20.138 -12.276 26.056 1.00 5.53 C ATOM 672 NH1 ARG A 48 19.170 -12.501 26.902 1.00 5.74 N ATOM 673 NH2 ARG A 48 21.331 -12.778 26.218 1.00 5.96 N ATOM 0 H ARG A 48 17.921 -10.186 22.569 1.00 1.48 H new ATOM 0 HA ARG A 48 19.106 -8.289 22.448 1.00 1.54 H new ATOM 0 HB2 ARG A 48 21.170 -10.300 23.479 1.00 2.38 H new ATOM 0 HB3 ARG A 48 21.543 -8.591 23.373 1.00 2.38 H new ATOM 0 HG2 ARG A 48 20.674 -8.839 25.596 1.00 2.95 H new ATOM 0 HG3 ARG A 48 19.326 -8.177 24.693 1.00 2.95 H new ATOM 0 HD2 ARG A 48 18.776 -10.179 26.215 1.00 2.98 H new ATOM 0 HD3 ARG A 48 18.216 -10.308 24.560 1.00 2.98 H new ATOM 0 HE ARG A 48 20.248 -11.797 24.093 1.00 5.14 H new ATOM 0 HH11 ARG A 48 18.248 -12.095 26.742 1.00 5.74 H new ATOM 0 HH12 ARG A 48 19.335 -13.083 27.723 1.00 5.74 H new ATOM 0 HH21 ARG A 48 22.063 -12.584 25.535 1.00 5.96 H new ATOM 0 HH22 ARG A 48 21.532 -13.365 27.028 1.00 5.96 H new ATOM 687 N TRP A 49 20.284 -7.709 20.562 1.00 1.17 N ATOM 688 CA TRP A 49 20.900 -7.247 19.307 1.00 1.37 C ATOM 689 C TRP A 49 20.616 -5.756 19.105 1.00 2.14 C ATOM 690 O TRP A 49 21.375 -5.057 18.463 1.00 2.22 O ATOM 691 CB TRP A 49 20.282 -8.058 18.138 1.00 1.81 C ATOM 692 CG TRP A 49 18.839 -7.594 17.800 1.00 2.67 C ATOM 693 CD1 TRP A 49 17.696 -8.243 18.163 1.00 2.73 C ATOM 694 CD2 TRP A 49 18.526 -6.504 17.086 1.00 3.76 C ATOM 695 NE1 TRP A 49 16.729 -7.478 17.642 1.00 3.94 N ATOM 696 CE2 TRP A 49 17.152 -6.388 16.962 1.00 4.63 C ATOM 697 CE3 TRP A 49 19.342 -5.570 16.474 1.00 4.13 C ATOM 698 CZ2 TRP A 49 16.603 -5.346 16.239 1.00 5.83 C ATOM 699 CZ3 TRP A 49 18.790 -4.530 15.754 1.00 5.31 C ATOM 700 CH2 TRP A 49 17.422 -4.418 15.637 1.00 6.15 C ATOM 0 H TRP A 49 19.707 -7.010 21.030 1.00 1.17 H new ATOM 0 HA TRP A 49 21.979 -7.395 19.343 1.00 1.37 H new ATOM 0 HB2 TRP A 49 20.911 -7.955 17.254 1.00 1.81 H new ATOM 0 HB3 TRP A 49 20.270 -9.116 18.399 1.00 1.81 H new ATOM 0 HD1 TRP A 49 17.595 -9.155 18.733 1.00 2.73 H new ATOM 0 HE1 TRP A 49 15.740 -7.702 17.750 1.00 3.94 H new ATOM 0 HE3 TRP A 49 20.415 -5.655 16.560 1.00 4.13 H new ATOM 0 HZ2 TRP A 49 15.530 -5.260 16.146 1.00 5.83 H new ATOM 0 HZ3 TRP A 49 19.432 -3.802 15.281 1.00 5.31 H new ATOM 0 HH2 TRP A 49 16.993 -3.603 15.073 1.00 6.15 H new ATOM 711 N TRP A 50 19.562 -5.291 19.728 1.00 2.83 N ATOM 712 CA TRP A 50 19.183 -3.858 19.594 1.00 3.75 C ATOM 713 C TRP A 50 19.345 -2.975 20.830 1.00 4.15 C ATOM 714 O TRP A 50 20.403 -2.452 21.118 1.00 4.14 O ATOM 715 CB TRP A 50 17.695 -3.854 19.283 1.00 4.26 C ATOM 716 CG TRP A 50 16.900 -4.901 20.131 1.00 3.69 C ATOM 717 CD1 TRP A 50 15.695 -5.314 19.724 1.00 3.74 C ATOM 718 CD2 TRP A 50 17.284 -5.599 21.256 1.00 3.13 C ATOM 719 NE1 TRP A 50 15.388 -6.292 20.581 1.00 3.07 N ATOM 720 CE2 TRP A 50 16.285 -6.529 21.548 1.00 2.79 C ATOM 721 CE3 TRP A 50 18.286 -5.439 22.223 1.00 3.20 C ATOM 722 CZ2 TRP A 50 16.293 -7.274 22.719 1.00 2.72 C ATOM 723 CZ3 TRP A 50 18.261 -6.148 23.399 1.00 3.26 C ATOM 724 CH2 TRP A 50 17.265 -7.062 23.646 1.00 3.12 C ATOM 0 H TRP A 50 18.949 -5.846 20.324 1.00 2.83 H new ATOM 0 HA TRP A 50 19.853 -3.444 18.841 1.00 3.75 H new ATOM 0 HB2 TRP A 50 17.291 -2.859 19.470 1.00 4.26 H new ATOM 0 HB3 TRP A 50 17.549 -4.064 18.223 1.00 4.26 H new ATOM 0 HD1 TRP A 50 15.108 -4.944 18.897 1.00 3.74 H new ATOM 0 HE1 TRP A 50 14.523 -6.826 20.504 1.00 3.07 H new ATOM 0 HE3 TRP A 50 19.093 -4.745 22.040 1.00 3.20 H new ATOM 0 HZ2 TRP A 50 15.531 -8.019 22.893 1.00 2.72 H new ATOM 0 HZ3 TRP A 50 19.032 -5.985 24.137 1.00 3.26 H new ATOM 0 HH2 TRP A 50 17.254 -7.612 24.576 1.00 3.12 H new ATOM 735 N GLU A 51 18.244 -2.869 21.530 1.00 4.61 N ATOM 736 CA GLU A 51 18.165 -2.065 22.751 1.00 5.24 C ATOM 737 C GLU A 51 18.026 -2.910 24.027 1.00 5.14 C ATOM 738 O GLU A 51 19.008 -3.325 24.610 1.00 5.29 O ATOM 739 CB GLU A 51 16.897 -1.229 22.530 1.00 5.27 C ATOM 740 CG GLU A 51 17.299 0.137 21.973 1.00 5.55 C ATOM 741 CD GLU A 51 17.800 1.015 23.121 1.00 5.79 C ATOM 742 OE1 GLU A 51 16.948 1.460 23.873 1.00 5.82 O ATOM 743 OE2 GLU A 51 19.007 1.186 23.187 1.00 5.95 O ATOM 0 H GLU A 51 17.370 -3.333 21.280 1.00 4.61 H new ATOM 0 HA GLU A 51 19.073 -1.482 22.906 1.00 5.24 H new ATOM 0 HB2 GLU A 51 16.226 -1.737 21.837 1.00 5.27 H new ATOM 0 HB3 GLU A 51 16.355 -1.110 23.468 1.00 5.27 H new ATOM 0 HG2 GLU A 51 18.078 0.022 21.219 1.00 5.55 H new ATOM 0 HG3 GLU A 51 16.448 0.609 21.482 1.00 5.55 H new ATOM 750 N LEU A 52 16.808 -3.138 24.436 1.00 5.14 N ATOM 751 CA LEU A 52 16.577 -3.944 25.661 1.00 5.56 C ATOM 752 C LEU A 52 15.217 -4.631 25.579 1.00 5.49 C ATOM 753 O LEU A 52 14.337 -4.171 24.878 1.00 5.66 O ATOM 754 CB LEU A 52 16.590 -2.962 26.855 1.00 6.91 C ATOM 755 CG LEU A 52 16.335 -3.679 28.196 1.00 8.53 C ATOM 756 CD1 LEU A 52 17.577 -4.479 28.612 1.00 9.95 C ATOM 757 CD2 LEU A 52 16.041 -2.615 29.255 1.00 7.95 C ATOM 0 H LEU A 52 15.965 -2.800 23.973 1.00 5.14 H new ATOM 0 HA LEU A 52 17.343 -4.711 25.773 1.00 5.56 H new ATOM 0 HB2 LEU A 52 17.552 -2.452 26.894 1.00 6.91 H new ATOM 0 HB3 LEU A 52 15.829 -2.196 26.703 1.00 6.91 H new ATOM 0 HG LEU A 52 15.495 -4.366 28.095 1.00 8.53 H new ATOM 0 HD11 LEU A 52 17.386 -4.981 29.560 1.00 9.95 H new ATOM 0 HD12 LEU A 52 17.804 -5.222 27.847 1.00 9.95 H new ATOM 0 HD13 LEU A 52 18.425 -3.803 28.724 1.00 9.95 H new ATOM 0 HD21 LEU A 52 15.857 -3.098 30.215 1.00 7.95 H new ATOM 0 HD22 LEU A 52 16.896 -1.945 29.344 1.00 7.95 H new ATOM 0 HD23 LEU A 52 15.161 -2.043 28.962 1.00 7.95 H new ATOM 769 N ARG A 53 15.082 -5.719 26.288 1.00 5.47 N ATOM 770 CA ARG A 53 13.792 -6.456 26.270 1.00 5.70 C ATOM 771 C ARG A 53 12.610 -5.486 26.256 1.00 5.83 C ATOM 772 O ARG A 53 11.719 -5.728 25.461 1.00 5.69 O ATOM 773 CB ARG A 53 13.709 -7.294 27.550 1.00 7.46 C ATOM 774 CG ARG A 53 14.302 -8.682 27.296 1.00 7.85 C ATOM 775 CD ARG A 53 14.352 -9.445 28.621 1.00 9.86 C ATOM 776 NE ARG A 53 14.563 -10.889 28.338 1.00 11.40 N ATOM 777 CZ ARG A 53 15.237 -11.234 27.277 1.00 12.80 C ATOM 778 NH1 ARG A 53 16.538 -11.258 27.342 1.00 12.80 N ATOM 779 NH2 ARG A 53 14.587 -11.536 26.186 1.00 14.30 N ATOM 780 OXT ARG A 53 12.669 -4.550 27.039 1.00 6.69 O ATOM 0 H ARG A 53 15.809 -6.126 26.877 1.00 5.47 H new ATOM 0 HA ARG A 53 13.748 -7.078 25.376 1.00 5.70 H new ATOM 0 HB2 ARG A 53 14.250 -6.799 28.356 1.00 7.46 H new ATOM 0 HB3 ARG A 53 12.671 -7.384 27.871 1.00 7.46 H new ATOM 0 HG2 ARG A 53 13.696 -9.225 26.570 1.00 7.85 H new ATOM 0 HG3 ARG A 53 15.303 -8.594 26.873 1.00 7.85 H new ATOM 0 HD2 ARG A 53 15.158 -9.062 29.246 1.00 9.86 H new ATOM 0 HD3 ARG A 53 13.424 -9.301 29.174 1.00 9.86 H new ATOM 0 HE ARG A 53 14.186 -11.600 28.965 1.00 11.40 H new ATOM 0 HH11 ARG A 53 17.010 -11.010 28.212 1.00 12.80 H new ATOM 0 HH12 ARG A 53 17.085 -11.525 26.523 1.00 12.80 H new ATOM 0 HH21 ARG A 53 13.568 -11.500 26.173 1.00 14.30 H new ATOM 0 HH22 ARG A 53 15.098 -11.808 25.346 1.00 14.30 H new TER 794 ARG A 53