USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 375 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 38 SER OG : rot -119:sc= 0.991 USER MOD Set 1.2: A 44 THR OG1 : rot 141:sc= 0.161 USER MOD Single : A 1 ASN : amide:sc= -0.517 X(o=-0.52,f=-0.64) USER MOD Single : A 1 ASN N :NH3+ 148:sc= -2.18! (180deg=-3!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -150:sc= 1.78 USER MOD Single : A 13 TYR OH : rot -117:sc= 0.146 USER MOD Single : A 16 ASN : amide:sc= 0.12 K(o=0.12,f=-2.4!) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS :FLIP no HE2:sc= -1.82 F(o=-8!,f=-1.8) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 30:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.262 USER MOD Single : A 32 ASN : amide:sc= -0.213 K(o=-0.21,f=-1.5) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -6.934 12.983 -1.161 1.00 0.00 N ATOM 2 CA ASN A 1 -7.879 11.929 -0.837 1.00 0.00 C ATOM 3 C ASN A 1 -7.384 10.606 -1.425 1.00 0.00 C ATOM 4 O ASN A 1 -6.877 10.573 -2.546 1.00 0.00 O ATOM 5 CB ASN A 1 -9.258 12.223 -1.431 1.00 0.00 C ATOM 6 CG ASN A 1 -9.153 12.565 -2.918 1.00 0.00 C ATOM 7 OD1 ASN A 1 -9.322 11.727 -3.788 1.00 0.00 O ATOM 8 ND2 ASN A 1 -8.864 13.841 -3.160 1.00 0.00 N ATOM 0 H1 ASN A 1 -7.443 13.883 -1.274 1.00 0.00 H new ATOM 0 H2 ASN A 1 -6.238 13.073 -0.394 1.00 0.00 H new ATOM 0 H3 ASN A 1 -6.444 12.749 -2.048 1.00 0.00 H new ATOM 0 HA ASN A 1 -7.959 11.871 0.249 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -9.907 11.357 -1.298 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -9.719 13.053 -0.895 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -8.771 14.170 -4.121 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -8.735 14.491 -2.384 1.00 0.00 H new ATOM 16 N SER A 2 -7.547 9.549 -0.643 1.00 0.00 N ATOM 17 CA SER A 2 -7.175 8.220 -1.095 1.00 0.00 C ATOM 18 C SER A 2 -8.184 7.717 -2.128 1.00 0.00 C ATOM 19 O SER A 2 -9.307 7.353 -1.780 1.00 0.00 O ATOM 20 CB SER A 2 -7.086 7.244 0.079 1.00 0.00 C ATOM 21 OG SER A 2 -6.214 7.716 1.102 1.00 0.00 O ATOM 0 H SER A 2 -7.932 9.586 0.301 1.00 0.00 H new ATOM 0 HA SER A 2 -6.190 8.280 -1.558 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.081 7.086 0.495 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.734 6.277 -0.280 1.00 0.00 H new ATOM 0 HG SER A 2 -6.186 7.065 1.834 1.00 0.00 H new ATOM 27 N TYR A 3 -7.749 7.712 -3.380 1.00 0.00 N ATOM 28 CA TYR A 3 -8.624 7.328 -4.475 1.00 0.00 C ATOM 29 C TYR A 3 -8.168 6.011 -5.106 1.00 0.00 C ATOM 30 O TYR A 3 -6.975 5.803 -5.324 1.00 0.00 O ATOM 31 CB TYR A 3 -8.511 8.444 -5.515 1.00 0.00 C ATOM 32 CG TYR A 3 -9.218 8.136 -6.837 1.00 0.00 C ATOM 33 CD1 TYR A 3 -10.582 8.316 -6.947 1.00 0.00 C ATOM 34 CD2 TYR A 3 -8.493 7.680 -7.918 1.00 0.00 C ATOM 35 CE1 TYR A 3 -11.249 8.026 -8.191 1.00 0.00 C ATOM 36 CE2 TYR A 3 -9.158 7.390 -9.162 1.00 0.00 C ATOM 37 CZ TYR A 3 -10.502 7.578 -9.237 1.00 0.00 C ATOM 38 OH TYR A 3 -11.132 7.303 -10.412 1.00 0.00 O ATOM 0 H TYR A 3 -6.802 7.968 -3.660 1.00 0.00 H new ATOM 0 HA TYR A 3 -9.645 7.189 -4.120 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -8.928 9.360 -5.097 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -7.457 8.635 -5.715 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -11.149 8.674 -6.101 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -7.426 7.540 -7.831 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -12.316 8.161 -8.291 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -8.602 7.031 -10.015 1.00 0.00 H new ATOM 0 HH TYR A 3 -10.476 6.993 -11.070 1.00 0.00 H new ATOM 48 N PRO A 4 -9.104 5.102 -5.409 1.00 0.00 N ATOM 49 CA PRO A 4 -8.748 3.846 -6.075 1.00 0.00 C ATOM 50 C PRO A 4 -8.293 4.062 -7.509 1.00 0.00 C ATOM 51 O PRO A 4 -9.047 4.581 -8.331 1.00 0.00 O ATOM 52 CB PRO A 4 -10.035 3.022 -6.006 1.00 0.00 C ATOM 53 CG PRO A 4 -11.120 4.059 -5.958 1.00 0.00 C ATOM 54 CD PRO A 4 -10.553 5.190 -5.150 1.00 0.00 C ATOM 0 HA PRO A 4 -7.903 3.350 -5.597 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.141 2.372 -6.874 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -10.054 2.382 -5.124 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -11.392 4.390 -6.960 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -12.024 3.661 -5.497 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.960 6.151 -5.464 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -10.779 5.079 -4.089 1.00 0.00 H new ATOM 62 N GLY A 5 -7.061 3.653 -7.773 1.00 0.00 N ATOM 63 CA GLY A 5 -6.487 3.816 -9.098 1.00 0.00 C ATOM 64 C GLY A 5 -5.082 3.214 -9.164 1.00 0.00 C ATOM 65 O GLY A 5 -4.400 3.109 -8.146 1.00 0.00 O ATOM 0 H GLY A 5 -6.444 3.209 -7.092 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -7.128 3.335 -9.837 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.445 4.875 -9.352 1.00 0.00 H new ATOM 69 N CYS A 6 -4.691 2.836 -10.372 1.00 0.00 N ATOM 70 CA CYS A 6 -3.373 2.262 -10.587 1.00 0.00 C ATOM 71 C CYS A 6 -3.268 1.838 -12.053 1.00 0.00 C ATOM 72 O CYS A 6 -3.707 0.749 -12.421 1.00 0.00 O ATOM 73 CB CYS A 6 -3.102 1.096 -9.634 1.00 0.00 C ATOM 74 SG CYS A 6 -2.041 1.506 -8.201 1.00 0.00 S ATOM 0 H CYS A 6 -5.264 2.916 -11.212 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.608 3.008 -10.370 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.055 0.717 -9.266 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -2.633 0.288 -10.195 1.00 0.00 H new ATOM 79 N PRO A 7 -2.685 2.685 -12.912 1.00 0.00 N ATOM 80 CA PRO A 7 -2.585 2.363 -14.338 1.00 0.00 C ATOM 81 C PRO A 7 -1.627 1.213 -14.605 1.00 0.00 C ATOM 82 O PRO A 7 -1.037 0.664 -13.675 1.00 0.00 O ATOM 83 CB PRO A 7 -2.094 3.667 -14.970 1.00 0.00 C ATOM 84 CG PRO A 7 -1.333 4.336 -13.862 1.00 0.00 C ATOM 85 CD PRO A 7 -2.082 3.996 -12.605 1.00 0.00 C ATOM 0 HA PRO A 7 -3.535 2.023 -14.752 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.458 3.478 -15.835 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -2.925 4.283 -15.314 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.305 3.975 -13.817 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.286 5.415 -14.012 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.417 3.941 -11.743 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -2.841 4.744 -12.375 1.00 0.00 H new ATOM 93 N SER A 8 -1.499 0.876 -15.879 1.00 0.00 N ATOM 94 CA SER A 8 -0.649 -0.234 -16.277 1.00 0.00 C ATOM 95 C SER A 8 0.817 0.201 -16.274 1.00 0.00 C ATOM 96 O SER A 8 1.715 -0.628 -16.402 1.00 0.00 O ATOM 97 CB SER A 8 -1.043 -0.761 -17.659 1.00 0.00 C ATOM 98 OG SER A 8 -2.421 -1.118 -17.721 1.00 0.00 O ATOM 0 H SER A 8 -1.969 1.351 -16.649 1.00 0.00 H new ATOM 0 HA SER A 8 -0.783 -1.042 -15.557 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.831 -0.001 -18.411 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.432 -1.630 -17.903 1.00 0.00 H new ATOM 0 HG SER A 8 -2.633 -1.448 -18.619 1.00 0.00 H new ATOM 104 N SER A 9 1.014 1.503 -16.125 1.00 0.00 N ATOM 105 CA SER A 9 2.356 2.059 -16.093 1.00 0.00 C ATOM 106 C SER A 9 3.217 1.286 -15.092 1.00 0.00 C ATOM 107 O SER A 9 4.365 0.950 -15.385 1.00 0.00 O ATOM 108 CB SER A 9 2.329 3.545 -15.733 1.00 0.00 C ATOM 109 OG SER A 9 3.638 4.105 -15.678 1.00 0.00 O ATOM 0 H SER A 9 0.266 2.189 -16.025 1.00 0.00 H new ATOM 0 HA SER A 9 2.790 1.963 -17.088 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.734 4.086 -16.469 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.838 3.675 -14.769 1.00 0.00 H new ATOM 0 HG SER A 9 3.578 5.055 -15.447 1.00 0.00 H new ATOM 115 N TYR A 10 2.633 1.027 -13.932 1.00 0.00 N ATOM 116 CA TYR A 10 3.331 0.295 -12.890 1.00 0.00 C ATOM 117 C TYR A 10 3.121 -1.213 -13.043 1.00 0.00 C ATOM 118 O TYR A 10 4.085 -1.972 -13.134 1.00 0.00 O ATOM 119 CB TYR A 10 2.712 0.752 -11.567 1.00 0.00 C ATOM 120 CG TYR A 10 2.772 2.264 -11.341 1.00 0.00 C ATOM 121 CD1 TYR A 10 3.963 2.860 -10.978 1.00 0.00 C ATOM 122 CD2 TYR A 10 1.636 3.031 -11.499 1.00 0.00 C ATOM 123 CE1 TYR A 10 4.020 4.283 -10.765 1.00 0.00 C ATOM 124 CE2 TYR A 10 1.694 4.454 -11.286 1.00 0.00 C ATOM 125 CZ TYR A 10 2.883 5.009 -10.930 1.00 0.00 C ATOM 126 OH TYR A 10 2.937 6.354 -10.730 1.00 0.00 O ATOM 0 H TYR A 10 1.684 1.311 -13.691 1.00 0.00 H new ATOM 0 HA TYR A 10 4.403 0.487 -12.939 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.671 0.431 -11.535 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.225 0.252 -10.746 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.852 2.259 -10.854 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.704 2.564 -11.782 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.945 4.762 -10.481 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.813 5.067 -11.406 1.00 0.00 H new ATOM 0 HH TYR A 10 2.067 6.673 -10.411 1.00 0.00 H new ATOM 136 N ASP A 11 1.856 -1.603 -13.067 1.00 0.00 N ATOM 137 CA ASP A 11 1.507 -3.006 -13.199 1.00 0.00 C ATOM 138 C ASP A 11 2.365 -3.833 -12.240 1.00 0.00 C ATOM 139 O ASP A 11 3.246 -4.576 -12.672 1.00 0.00 O ATOM 140 CB ASP A 11 1.770 -3.507 -14.620 1.00 0.00 C ATOM 141 CG ASP A 11 1.393 -4.969 -14.871 1.00 0.00 C ATOM 142 OD1 ASP A 11 2.044 -5.670 -15.661 1.00 0.00 O ATOM 143 OD2 ASP A 11 0.370 -5.391 -14.206 1.00 0.00 O ATOM 0 H ASP A 11 1.059 -0.970 -12.997 1.00 0.00 H new ATOM 0 HA ASP A 11 0.447 -3.113 -12.969 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.216 -2.880 -15.319 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.829 -3.377 -14.845 1.00 0.00 H new ATOM 149 N GLY A 12 2.079 -3.677 -10.956 1.00 0.00 N ATOM 150 CA GLY A 12 2.812 -4.402 -9.932 1.00 0.00 C ATOM 151 C GLY A 12 3.458 -3.439 -8.934 1.00 0.00 C ATOM 152 O GLY A 12 4.627 -3.594 -8.584 1.00 0.00 O ATOM 0 H GLY A 12 1.349 -3.059 -10.601 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.137 -5.077 -9.406 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.581 -5.018 -10.398 1.00 0.00 H new ATOM 156 N TYR A 13 2.668 -2.466 -8.504 1.00 0.00 N ATOM 157 CA TYR A 13 3.135 -1.502 -7.523 1.00 0.00 C ATOM 158 C TYR A 13 2.974 -2.044 -6.101 1.00 0.00 C ATOM 159 O TYR A 13 3.353 -1.384 -5.135 1.00 0.00 O ATOM 160 CB TYR A 13 2.248 -0.267 -7.689 1.00 0.00 C ATOM 161 CG TYR A 13 2.907 1.039 -7.239 1.00 0.00 C ATOM 162 CD1 TYR A 13 4.000 1.531 -7.923 1.00 0.00 C ATOM 163 CD2 TYR A 13 2.408 1.724 -6.150 1.00 0.00 C ATOM 164 CE1 TYR A 13 4.620 2.760 -7.500 1.00 0.00 C ATOM 165 CE2 TYR A 13 3.028 2.952 -5.727 1.00 0.00 C ATOM 166 CZ TYR A 13 4.103 3.410 -6.423 1.00 0.00 C ATOM 167 OH TYR A 13 4.690 4.569 -6.024 1.00 0.00 O ATOM 0 H TYR A 13 1.708 -2.325 -8.817 1.00 0.00 H new ATOM 0 HA TYR A 13 4.191 -1.281 -7.676 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.963 -0.176 -8.737 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.330 -0.413 -7.120 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.390 0.995 -8.775 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.552 1.339 -5.615 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.476 3.156 -8.026 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.648 3.498 -4.876 1.00 0.00 H new ATOM 0 HH TYR A 13 5.046 4.460 -5.118 1.00 0.00 H new ATOM 177 N CYS A 14 2.411 -3.240 -6.018 1.00 0.00 N ATOM 178 CA CYS A 14 2.210 -3.885 -4.732 1.00 0.00 C ATOM 179 C CYS A 14 2.846 -5.275 -4.786 1.00 0.00 C ATOM 180 O CYS A 14 2.852 -5.919 -5.834 1.00 0.00 O ATOM 181 CB CYS A 14 0.727 -3.950 -4.359 1.00 0.00 C ATOM 182 SG CYS A 14 -0.223 -2.428 -4.717 1.00 0.00 S ATOM 0 H CYS A 14 2.088 -3.780 -6.821 1.00 0.00 H new ATOM 0 HA CYS A 14 2.690 -3.298 -3.949 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.269 -4.782 -4.894 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.644 -4.171 -3.295 1.00 0.00 H new ATOM 187 N LEU A 15 3.368 -5.697 -3.643 1.00 0.00 N ATOM 188 CA LEU A 15 4.029 -6.988 -3.554 1.00 0.00 C ATOM 189 C LEU A 15 3.756 -7.602 -2.179 1.00 0.00 C ATOM 190 O LEU A 15 3.163 -6.958 -1.315 1.00 0.00 O ATOM 191 CB LEU A 15 5.516 -6.852 -3.883 1.00 0.00 C ATOM 192 CG LEU A 15 6.163 -5.512 -3.526 1.00 0.00 C ATOM 193 CD1 LEU A 15 6.558 -5.470 -2.048 1.00 0.00 C ATOM 194 CD2 LEU A 15 7.349 -5.212 -4.445 1.00 0.00 C ATOM 0 H LEU A 15 3.346 -5.168 -2.771 1.00 0.00 H new ATOM 0 HA LEU A 15 3.624 -7.676 -4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.056 -7.643 -3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.648 -7.024 -4.951 1.00 0.00 H new ATOM 0 HG LEU A 15 5.426 -4.725 -3.685 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.015 -4.507 -1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.670 -5.605 -1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.270 -6.268 -1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.790 -4.254 -4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.097 -5.999 -4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.006 -5.169 -5.479 1.00 0.00 H new ATOM 206 N ASN A 16 4.203 -8.838 -2.019 1.00 0.00 N ATOM 207 CA ASN A 16 4.121 -9.504 -0.730 1.00 0.00 C ATOM 208 C ASN A 16 2.709 -9.334 -0.164 1.00 0.00 C ATOM 209 O ASN A 16 2.539 -9.118 1.034 1.00 0.00 O ATOM 210 CB ASN A 16 5.106 -8.894 0.269 1.00 0.00 C ATOM 211 CG ASN A 16 6.512 -8.811 -0.330 1.00 0.00 C ATOM 212 OD1 ASN A 16 6.881 -9.558 -1.220 1.00 0.00 O ATOM 213 ND2 ASN A 16 7.272 -7.861 0.207 1.00 0.00 N ATOM 0 H ASN A 16 4.624 -9.397 -2.761 1.00 0.00 H new ATOM 0 HA ASN A 16 4.363 -10.557 -0.878 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.769 -7.898 0.555 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.128 -9.496 1.177 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.227 -7.724 -0.124 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.900 -7.270 0.950 1.00 0.00 H new ATOM 220 N GLY A 17 1.733 -9.440 -1.054 1.00 0.00 N ATOM 221 CA GLY A 17 0.339 -9.406 -0.644 1.00 0.00 C ATOM 222 C GLY A 17 -0.102 -7.978 -0.318 1.00 0.00 C ATOM 223 O GLY A 17 -0.045 -7.556 0.836 1.00 0.00 O ATOM 0 H GLY A 17 1.880 -9.549 -2.057 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.287 -9.811 -1.439 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.198 -10.042 0.230 1.00 0.00 H new ATOM 227 N GLY A 18 -0.529 -7.273 -1.354 1.00 0.00 N ATOM 228 CA GLY A 18 -1.033 -5.921 -1.184 1.00 0.00 C ATOM 229 C GLY A 18 -1.858 -5.486 -2.397 1.00 0.00 C ATOM 230 O GLY A 18 -1.598 -5.921 -3.517 1.00 0.00 O ATOM 0 H GLY A 18 -0.537 -7.613 -2.316 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.647 -5.868 -0.285 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.199 -5.234 -1.042 1.00 0.00 H new ATOM 234 N VAL A 19 -2.837 -4.633 -2.131 1.00 0.00 N ATOM 235 CA VAL A 19 -3.694 -4.124 -3.190 1.00 0.00 C ATOM 236 C VAL A 19 -3.249 -2.709 -3.564 1.00 0.00 C ATOM 237 O VAL A 19 -2.562 -2.045 -2.789 1.00 0.00 O ATOM 238 CB VAL A 19 -5.159 -4.197 -2.755 1.00 0.00 C ATOM 239 CG1 VAL A 19 -5.706 -2.803 -2.438 1.00 0.00 C ATOM 240 CG2 VAL A 19 -6.012 -4.891 -3.819 1.00 0.00 C ATOM 0 H VAL A 19 -3.056 -4.282 -1.199 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.604 -4.739 -4.086 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.209 -4.793 -1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -6.749 -2.882 -2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.123 -2.358 -1.631 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.636 -2.174 -3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.049 -4.930 -3.485 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.952 -4.334 -4.754 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.643 -5.905 -3.977 1.00 0.00 H new ATOM 250 N CYS A 20 -3.660 -2.289 -4.751 1.00 0.00 N ATOM 251 CA CYS A 20 -3.203 -1.023 -5.296 1.00 0.00 C ATOM 252 C CYS A 20 -4.249 0.046 -4.972 1.00 0.00 C ATOM 253 O CYS A 20 -5.449 -0.211 -5.051 1.00 0.00 O ATOM 254 CB CYS A 20 -2.932 -1.118 -6.799 1.00 0.00 C ATOM 255 SG CYS A 20 -1.468 -0.185 -7.376 1.00 0.00 S ATOM 0 H CYS A 20 -4.305 -2.804 -5.351 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.252 -0.750 -4.838 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -2.805 -2.167 -7.065 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -3.810 -0.757 -7.336 1.00 0.00 H new ATOM 260 N MET A 21 -3.755 1.222 -4.610 1.00 0.00 N ATOM 261 CA MET A 21 -4.630 2.351 -4.346 1.00 0.00 C ATOM 262 C MET A 21 -3.898 3.676 -4.570 1.00 0.00 C ATOM 263 O MET A 21 -2.743 3.826 -4.176 1.00 0.00 O ATOM 264 CB MET A 21 -5.129 2.282 -2.901 1.00 0.00 C ATOM 265 CG MET A 21 -6.372 3.153 -2.708 1.00 0.00 C ATOM 266 SD MET A 21 -6.868 3.137 -0.994 1.00 0.00 S ATOM 267 CE MET A 21 -8.491 3.867 -1.134 1.00 0.00 C ATOM 0 H MET A 21 -2.760 1.416 -4.494 1.00 0.00 H new ATOM 0 HA MET A 21 -5.473 2.302 -5.035 1.00 0.00 H new ATOM 0 HB2 MET A 21 -5.361 1.249 -2.641 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.341 2.612 -2.224 1.00 0.00 H new ATOM 0 HG2 MET A 21 -6.163 4.175 -3.025 1.00 0.00 H new ATOM 0 HG3 MET A 21 -7.185 2.785 -3.334 1.00 0.00 H new ATOM 0 HE1 MET A 21 -8.947 3.932 -0.146 1.00 0.00 H new ATOM 0 HE2 MET A 21 -8.405 4.866 -1.561 1.00 0.00 H new ATOM 0 HE3 MET A 21 -9.113 3.249 -1.781 1.00 0.00 H new ATOM 277 N HIS A 22 -4.602 4.604 -5.203 1.00 0.00 N ATOM 278 CA HIS A 22 -3.997 5.866 -5.591 1.00 0.00 C ATOM 279 C HIS A 22 -4.244 6.910 -4.500 1.00 0.00 C ATOM 280 O HIS A 22 -5.148 6.755 -3.681 1.00 0.00 O ATOM 281 CB HIS A 22 -4.504 6.312 -6.964 1.00 0.00 C ATOM 282 CG HIS A 22 -3.803 7.534 -7.510 1.00 0.00 C ATOM 283 ND1 HIS A 22 -2.475 7.830 -7.606 1.00 0.00 N flip ATOM 284 CD2 HIS A 22 -4.485 8.617 -8.035 1.00 0.00 C flip ATOM 285 CE1 HIS A 22 -2.354 9.030 -8.161 1.00 0.00 C flip ATOM 286 NE2 HIS A 22 -3.598 9.519 -8.427 1.00 0.00 N flip ATOM 0 H HIS A 22 -5.585 4.506 -5.456 1.00 0.00 H new ATOM 0 HA HIS A 22 -2.919 5.742 -5.689 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -4.382 5.490 -7.670 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -5.572 6.518 -6.896 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -1.706 7.232 -7.303 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.558 8.711 -8.112 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -1.422 9.536 -8.368 1.00 0.00 H new ATOM 294 N ILE A 23 -3.422 7.950 -4.524 1.00 0.00 N ATOM 295 CA ILE A 23 -3.614 9.075 -3.624 1.00 0.00 C ATOM 296 C ILE A 23 -3.717 10.364 -4.442 1.00 0.00 C ATOM 297 O ILE A 23 -3.333 10.394 -5.611 1.00 0.00 O ATOM 298 CB ILE A 23 -2.513 9.106 -2.563 1.00 0.00 C ATOM 299 CG1 ILE A 23 -1.642 7.851 -2.640 1.00 0.00 C ATOM 300 CG2 ILE A 23 -3.102 9.310 -1.166 1.00 0.00 C ATOM 301 CD1 ILE A 23 -0.425 7.971 -1.721 1.00 0.00 C ATOM 0 H ILE A 23 -2.623 8.037 -5.152 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.550 8.969 -3.075 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.867 9.960 -2.767 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.230 6.978 -2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.312 7.695 -3.667 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.297 9.328 -0.431 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.644 10.255 -1.134 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.785 8.492 -0.936 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.177 7.066 -1.795 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.174 8.831 -2.021 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.758 8.102 -0.691 1.00 0.00 H new ATOM 313 N GLU A 24 -4.237 11.397 -3.796 1.00 0.00 N ATOM 314 CA GLU A 24 -4.385 12.688 -4.446 1.00 0.00 C ATOM 315 C GLU A 24 -3.681 13.776 -3.633 1.00 0.00 C ATOM 316 O GLU A 24 -3.193 13.516 -2.534 1.00 0.00 O ATOM 317 CB GLU A 24 -5.862 13.031 -4.654 1.00 0.00 C ATOM 318 CG GLU A 24 -6.468 12.183 -5.775 1.00 0.00 C ATOM 319 CD GLU A 24 -6.080 12.733 -7.149 1.00 0.00 C ATOM 320 OE1 GLU A 24 -5.024 12.368 -7.687 1.00 0.00 O ATOM 321 OE2 GLU A 24 -6.919 13.568 -7.659 1.00 0.00 O ATOM 0 H GLU A 24 -4.561 11.366 -2.829 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.915 12.633 -5.428 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.412 12.863 -3.728 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.963 14.089 -4.898 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.126 11.152 -5.682 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.554 12.168 -5.678 1.00 0.00 H new ATOM 329 N SER A 25 -3.648 14.970 -4.205 1.00 0.00 N ATOM 330 CA SER A 25 -2.995 16.094 -3.555 1.00 0.00 C ATOM 331 C SER A 25 -1.514 16.132 -3.937 1.00 0.00 C ATOM 332 O SER A 25 -0.930 17.207 -4.065 1.00 0.00 O ATOM 333 CB SER A 25 -3.148 16.015 -2.034 1.00 0.00 C ATOM 334 OG SER A 25 -3.055 17.299 -1.422 1.00 0.00 O ATOM 0 H SER A 25 -4.063 15.184 -5.112 1.00 0.00 H new ATOM 0 HA SER A 25 -3.475 17.011 -3.895 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.110 15.565 -1.789 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.377 15.362 -1.625 1.00 0.00 H new ATOM 0 HG SER A 25 -3.159 17.207 -0.452 1.00 0.00 H new ATOM 340 N LEU A 26 -0.950 14.947 -4.112 1.00 0.00 N ATOM 341 CA LEU A 26 0.427 14.832 -4.563 1.00 0.00 C ATOM 342 C LEU A 26 0.480 13.938 -5.803 1.00 0.00 C ATOM 343 O LEU A 26 1.560 13.600 -6.283 1.00 0.00 O ATOM 344 CB LEU A 26 1.325 14.353 -3.421 1.00 0.00 C ATOM 345 CG LEU A 26 2.084 15.443 -2.662 1.00 0.00 C ATOM 346 CD1 LEU A 26 2.505 14.953 -1.275 1.00 0.00 C ATOM 347 CD2 LEU A 26 3.274 15.952 -3.477 1.00 0.00 C ATOM 0 H LEU A 26 -1.421 14.057 -3.950 1.00 0.00 H new ATOM 0 HA LEU A 26 0.815 15.807 -4.856 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.711 13.803 -2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.051 13.648 -3.827 1.00 0.00 H new ATOM 0 HG LEU A 26 1.412 16.288 -2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.043 15.747 -0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.619 14.680 -0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.153 14.083 -1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.796 16.726 -2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.957 15.127 -3.678 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.918 16.367 -4.420 1.00 0.00 H new ATOM 359 N ASP A 27 -0.701 13.582 -6.287 1.00 0.00 N ATOM 360 CA ASP A 27 -0.803 12.682 -7.424 1.00 0.00 C ATOM 361 C ASP A 27 0.149 11.502 -7.222 1.00 0.00 C ATOM 362 O ASP A 27 0.851 11.100 -8.150 1.00 0.00 O ATOM 363 CB ASP A 27 -0.410 13.390 -8.722 1.00 0.00 C ATOM 364 CG ASP A 27 -1.271 14.601 -9.084 1.00 0.00 C ATOM 365 OD1 ASP A 27 -2.289 14.477 -9.781 1.00 0.00 O ATOM 366 OD2 ASP A 27 -0.853 15.727 -8.613 1.00 0.00 O ATOM 0 H ASP A 27 -1.595 13.900 -5.913 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.837 12.344 -7.496 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.628 13.712 -8.642 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.459 12.671 -9.540 1.00 0.00 H new ATOM 372 N SER A 28 0.144 10.981 -6.004 1.00 0.00 N ATOM 373 CA SER A 28 1.009 9.862 -5.666 1.00 0.00 C ATOM 374 C SER A 28 0.204 8.561 -5.663 1.00 0.00 C ATOM 375 O SER A 28 -1.024 8.587 -5.621 1.00 0.00 O ATOM 376 CB SER A 28 1.677 10.075 -4.306 1.00 0.00 C ATOM 377 OG SER A 28 2.864 9.298 -4.167 1.00 0.00 O ATOM 0 H SER A 28 -0.444 11.312 -5.239 1.00 0.00 H new ATOM 0 HA SER A 28 1.793 9.795 -6.420 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.918 11.131 -4.182 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.977 9.812 -3.513 1.00 0.00 H new ATOM 0 HG SER A 28 3.262 9.463 -3.287 1.00 0.00 H new ATOM 383 N TYR A 29 0.930 7.454 -5.710 1.00 0.00 N ATOM 384 CA TYR A 29 0.305 6.145 -5.628 1.00 0.00 C ATOM 385 C TYR A 29 0.797 5.378 -4.398 1.00 0.00 C ATOM 386 O TYR A 29 1.894 5.631 -3.903 1.00 0.00 O ATOM 387 CB TYR A 29 0.734 5.393 -6.888 1.00 0.00 C ATOM 388 CG TYR A 29 0.059 5.888 -8.169 1.00 0.00 C ATOM 389 CD1 TYR A 29 0.597 6.950 -8.866 1.00 0.00 C ATOM 390 CD2 TYR A 29 -1.088 5.273 -8.626 1.00 0.00 C ATOM 391 CE1 TYR A 29 -0.038 7.416 -10.072 1.00 0.00 C ATOM 392 CE2 TYR A 29 -1.724 5.739 -9.831 1.00 0.00 C ATOM 393 CZ TYR A 29 -1.168 6.787 -10.494 1.00 0.00 C ATOM 394 OH TYR A 29 -1.768 7.228 -11.632 1.00 0.00 O ATOM 0 H TYR A 29 1.946 7.437 -5.804 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.778 6.241 -5.547 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.814 5.482 -7.001 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.513 4.333 -6.759 1.00 0.00 H new ATOM 0 HD1 TYR A 29 1.494 7.432 -8.507 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.509 4.442 -8.080 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.373 8.245 -10.628 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.622 5.266 -10.200 1.00 0.00 H new ATOM 0 HH TYR A 29 -1.092 7.603 -12.234 1.00 0.00 H new ATOM 404 N THR A 30 -0.039 4.457 -3.941 1.00 0.00 N ATOM 405 CA THR A 30 0.270 3.694 -2.744 1.00 0.00 C ATOM 406 C THR A 30 -0.316 2.284 -2.844 1.00 0.00 C ATOM 407 O THR A 30 -0.854 1.904 -3.882 1.00 0.00 O ATOM 408 CB THR A 30 -0.244 4.481 -1.536 1.00 0.00 C ATOM 409 OG1 THR A 30 0.300 3.790 -0.416 1.00 0.00 O ATOM 410 CG2 THR A 30 -1.757 4.353 -1.355 1.00 0.00 C ATOM 0 H THR A 30 -0.930 4.222 -4.378 1.00 0.00 H new ATOM 0 HA THR A 30 1.345 3.558 -2.628 1.00 0.00 H new ATOM 0 HB THR A 30 0.020 5.533 -1.648 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.018 4.234 0.411 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.069 4.930 -0.485 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.263 4.733 -2.243 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.019 3.305 -1.209 1.00 0.00 H new ATOM 418 N CYS A 31 -0.191 1.547 -1.750 1.00 0.00 N ATOM 419 CA CYS A 31 -0.618 0.159 -1.731 1.00 0.00 C ATOM 420 C CYS A 31 -1.103 -0.175 -0.319 1.00 0.00 C ATOM 421 O CYS A 31 -0.435 0.146 0.663 1.00 0.00 O ATOM 422 CB CYS A 31 0.498 -0.782 -2.188 1.00 0.00 C ATOM 423 SG CYS A 31 0.734 -0.870 -4.000 1.00 0.00 S ATOM 0 H CYS A 31 0.200 1.885 -0.871 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.435 0.018 -2.438 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.434 -0.463 -1.729 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.285 -1.784 -1.814 1.00 0.00 H new ATOM 428 N ASN A 32 -2.262 -0.815 -0.262 1.00 0.00 N ATOM 429 CA ASN A 32 -2.788 -1.299 1.003 1.00 0.00 C ATOM 430 C ASN A 32 -2.164 -2.658 1.325 1.00 0.00 C ATOM 431 O ASN A 32 -2.303 -3.606 0.554 1.00 0.00 O ATOM 432 CB ASN A 32 -4.305 -1.480 0.935 1.00 0.00 C ATOM 433 CG ASN A 32 -4.979 -0.243 0.337 1.00 0.00 C ATOM 434 OD1 ASN A 32 -4.395 0.823 0.230 1.00 0.00 O ATOM 435 ND2 ASN A 32 -6.237 -0.444 -0.046 1.00 0.00 N ATOM 0 H ASN A 32 -2.851 -1.009 -1.071 1.00 0.00 H new ATOM 0 HA ASN A 32 -2.546 -0.565 1.771 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -4.544 -2.356 0.332 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -4.698 -1.665 1.935 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -6.773 0.320 -0.458 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -6.666 -1.362 0.072 1.00 0.00 H new ATOM 442 N CYS A 33 -1.489 -2.709 2.463 1.00 0.00 N ATOM 443 CA CYS A 33 -0.729 -3.891 2.831 1.00 0.00 C ATOM 444 C CYS A 33 -1.486 -4.624 3.939 1.00 0.00 C ATOM 445 O CYS A 33 -2.661 -4.349 4.180 1.00 0.00 O ATOM 446 CB CYS A 33 0.698 -3.538 3.251 1.00 0.00 C ATOM 447 SG CYS A 33 1.974 -4.740 2.721 1.00 0.00 S ATOM 0 H CYS A 33 -1.452 -1.950 3.143 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.631 -4.547 1.966 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.950 -2.559 2.844 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.731 -3.450 4.337 1.00 0.00 H new ATOM 452 N VAL A 34 -0.783 -5.542 4.586 1.00 0.00 N ATOM 453 CA VAL A 34 -1.409 -6.414 5.565 1.00 0.00 C ATOM 454 C VAL A 34 -0.526 -6.493 6.811 1.00 0.00 C ATOM 455 O VAL A 34 0.603 -6.006 6.808 1.00 0.00 O ATOM 456 CB VAL A 34 -1.690 -7.782 4.943 1.00 0.00 C ATOM 457 CG1 VAL A 34 -2.368 -7.637 3.578 1.00 0.00 C ATOM 458 CG2 VAL A 34 -0.407 -8.607 4.831 1.00 0.00 C ATOM 0 H VAL A 34 0.215 -5.701 4.451 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.372 -6.009 5.876 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.375 -8.314 5.603 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.556 -8.625 3.158 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.313 -7.107 3.696 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.718 -7.076 2.907 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.635 -9.575 4.385 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.311 -8.079 4.204 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.018 -8.755 5.824 1.00 0.00 H new ATOM 468 N ILE A 35 -1.072 -7.112 7.847 1.00 0.00 N ATOM 469 CA ILE A 35 -0.310 -7.360 9.058 1.00 0.00 C ATOM 470 C ILE A 35 0.999 -8.065 8.696 1.00 0.00 C ATOM 471 O ILE A 35 0.991 -9.068 7.984 1.00 0.00 O ATOM 472 CB ILE A 35 -1.157 -8.123 10.078 1.00 0.00 C ATOM 473 CG1 ILE A 35 -0.821 -7.689 11.506 1.00 0.00 C ATOM 474 CG2 ILE A 35 -1.012 -9.635 9.891 1.00 0.00 C ATOM 475 CD1 ILE A 35 -1.307 -8.722 12.523 1.00 0.00 C ATOM 0 H ILE A 35 -2.034 -7.449 7.872 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.044 -6.419 9.540 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.204 -7.875 9.904 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.256 -7.555 11.605 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.282 -6.724 11.714 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.624 -10.153 10.629 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.340 -9.911 8.889 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.032 -9.919 10.022 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.055 -8.388 13.530 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.388 -8.835 12.438 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.825 -9.680 12.327 1.00 0.00 H new ATOM 487 N GLY A 36 2.091 -7.513 9.204 1.00 0.00 N ATOM 488 CA GLY A 36 3.406 -8.063 8.926 1.00 0.00 C ATOM 489 C GLY A 36 4.084 -7.315 7.777 1.00 0.00 C ATOM 490 O GLY A 36 5.302 -7.141 7.778 1.00 0.00 O ATOM 0 H GLY A 36 2.092 -6.690 9.807 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.026 -8.001 9.820 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.316 -9.119 8.673 1.00 0.00 H new ATOM 494 N TYR A 37 3.265 -6.891 6.825 1.00 0.00 N ATOM 495 CA TYR A 37 3.780 -6.260 5.622 1.00 0.00 C ATOM 496 C TYR A 37 3.253 -4.830 5.484 1.00 0.00 C ATOM 497 O TYR A 37 2.097 -4.557 5.801 1.00 0.00 O ATOM 498 CB TYR A 37 3.260 -7.098 4.452 1.00 0.00 C ATOM 499 CG TYR A 37 3.768 -8.541 4.446 1.00 0.00 C ATOM 500 CD1 TYR A 37 3.127 -9.502 5.200 1.00 0.00 C ATOM 501 CD2 TYR A 37 4.868 -8.881 3.684 1.00 0.00 C ATOM 502 CE1 TYR A 37 3.605 -10.860 5.193 1.00 0.00 C ATOM 503 CE2 TYR A 37 5.347 -10.239 3.678 1.00 0.00 C ATOM 504 CZ TYR A 37 4.692 -11.161 4.433 1.00 0.00 C ATOM 505 OH TYR A 37 5.144 -12.444 4.426 1.00 0.00 O ATOM 0 H TYR A 37 2.249 -6.972 6.863 1.00 0.00 H new ATOM 0 HA TYR A 37 4.869 -6.210 5.650 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.170 -7.107 4.481 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.550 -6.618 3.517 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.266 -9.236 5.796 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.369 -8.129 3.093 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.112 -11.622 5.778 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.207 -10.519 3.087 1.00 0.00 H new ATOM 0 HH TYR A 37 5.925 -12.512 3.839 1.00 0.00 H new ATOM 515 N SER A 38 4.128 -3.955 5.010 1.00 0.00 N ATOM 516 CA SER A 38 3.757 -2.566 4.798 1.00 0.00 C ATOM 517 C SER A 38 4.797 -1.877 3.913 1.00 0.00 C ATOM 518 O SER A 38 5.828 -2.463 3.588 1.00 0.00 O ATOM 519 CB SER A 38 3.615 -1.825 6.128 1.00 0.00 C ATOM 520 OG SER A 38 4.873 -1.383 6.630 1.00 0.00 O ATOM 0 H SER A 38 5.092 -4.181 4.767 1.00 0.00 H new ATOM 0 HA SER A 38 2.790 -2.542 4.296 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.956 -0.967 5.996 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.143 -2.481 6.860 1.00 0.00 H new ATOM 0 HG SER A 38 5.045 -1.804 7.498 1.00 0.00 H new ATOM 526 N GLY A 39 4.491 -0.640 3.549 1.00 0.00 N ATOM 527 CA GLY A 39 5.346 0.107 2.643 1.00 0.00 C ATOM 528 C GLY A 39 4.540 0.686 1.480 1.00 0.00 C ATOM 529 O GLY A 39 3.397 0.290 1.254 1.00 0.00 O ATOM 0 H GLY A 39 3.662 -0.137 3.866 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.839 0.914 3.185 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.130 -0.544 2.258 1.00 0.00 H new ATOM 533 N ASP A 40 5.167 1.613 0.770 1.00 0.00 N ATOM 534 CA ASP A 40 4.538 2.221 -0.390 1.00 0.00 C ATOM 535 C ASP A 40 4.006 1.121 -1.311 1.00 0.00 C ATOM 536 O ASP A 40 2.997 1.309 -1.990 1.00 0.00 O ATOM 537 CB ASP A 40 5.540 3.059 -1.185 1.00 0.00 C ATOM 538 CG ASP A 40 5.021 3.594 -2.521 1.00 0.00 C ATOM 539 OD1 ASP A 40 5.122 2.924 -3.559 1.00 0.00 O ATOM 540 OD2 ASP A 40 4.487 4.767 -2.469 1.00 0.00 O ATOM 0 H ASP A 40 6.105 1.958 0.976 1.00 0.00 H new ATOM 0 HA ASP A 40 3.731 2.863 -0.038 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.853 3.903 -0.570 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.427 2.455 -1.373 1.00 0.00 H new ATOM 546 N ARG A 41 4.707 -0.002 -1.305 1.00 0.00 N ATOM 547 CA ARG A 41 4.245 -1.177 -2.023 1.00 0.00 C ATOM 548 C ARG A 41 3.880 -2.292 -1.040 1.00 0.00 C ATOM 549 O ARG A 41 2.742 -2.758 -1.020 1.00 0.00 O ATOM 550 CB ARG A 41 5.316 -1.689 -2.989 1.00 0.00 C ATOM 551 CG ARG A 41 5.909 -0.541 -3.809 1.00 0.00 C ATOM 552 CD ARG A 41 7.009 -1.047 -4.744 1.00 0.00 C ATOM 553 NE ARG A 41 8.254 -1.283 -3.979 1.00 0.00 N ATOM 554 CZ ARG A 41 9.098 -0.305 -3.587 1.00 0.00 C ATOM 555 NH1 ARG A 41 8.818 0.946 -3.901 1.00 0.00 N ATOM 556 NH2 ARG A 41 10.211 -0.603 -2.884 1.00 0.00 N ATOM 0 H ARG A 41 5.593 -0.124 -0.814 1.00 0.00 H new ATOM 0 HA ARG A 41 3.363 -0.889 -2.595 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.107 -2.187 -2.429 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.882 -2.432 -3.658 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.123 -0.062 -4.392 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.316 0.217 -3.139 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.690 -1.970 -5.229 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.190 -0.318 -5.534 1.00 0.00 H new ATOM 0 HE ARG A 41 8.489 -2.245 -3.733 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.974 1.162 -4.432 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.445 1.697 -3.612 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.419 -1.573 -2.645 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.844 0.141 -2.591 1.00 0.00 H new ATOM 569 N CYS A 42 4.867 -2.685 -0.249 1.00 0.00 N ATOM 570 CA CYS A 42 4.645 -3.680 0.786 1.00 0.00 C ATOM 571 C CYS A 42 6.005 -4.215 1.238 1.00 0.00 C ATOM 572 O CYS A 42 6.151 -5.409 1.498 1.00 0.00 O ATOM 573 CB CYS A 42 3.722 -4.802 0.305 1.00 0.00 C ATOM 574 SG CYS A 42 1.961 -4.592 0.757 1.00 0.00 S ATOM 0 H CYS A 42 5.823 -2.332 -0.304 1.00 0.00 H new ATOM 0 HA CYS A 42 4.137 -3.219 1.633 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.798 -4.876 -0.780 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.078 -5.747 0.715 1.00 0.00 H new ATOM 579 N GLN A 43 6.966 -3.307 1.317 1.00 0.00 N ATOM 580 CA GLN A 43 8.349 -3.697 1.537 1.00 0.00 C ATOM 581 C GLN A 43 8.481 -4.462 2.855 1.00 0.00 C ATOM 582 O GLN A 43 8.893 -5.622 2.864 1.00 0.00 O ATOM 583 CB GLN A 43 9.273 -2.478 1.515 1.00 0.00 C ATOM 584 CG GLN A 43 10.615 -2.795 2.176 1.00 0.00 C ATOM 585 CD GLN A 43 11.611 -1.654 1.971 1.00 0.00 C ATOM 586 OE1 GLN A 43 12.595 -1.773 1.260 1.00 0.00 O ATOM 587 NE2 GLN A 43 11.303 -0.541 2.632 1.00 0.00 N ATOM 0 H GLN A 43 6.815 -2.302 1.233 1.00 0.00 H new ATOM 0 HA GLN A 43 8.654 -4.357 0.725 1.00 0.00 H new ATOM 0 HB2 GLN A 43 9.437 -2.160 0.485 1.00 0.00 H new ATOM 0 HB3 GLN A 43 8.796 -1.646 2.033 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.467 -2.966 3.242 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.021 -3.716 1.758 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.464 -0.507 3.211 1.00 0.00 H new ATOM 0 HE22 GLN A 43 11.906 0.278 2.560 1.00 0.00 H new ATOM 596 N THR A 44 8.123 -3.784 3.934 1.00 0.00 N ATOM 597 CA THR A 44 8.159 -4.398 5.250 1.00 0.00 C ATOM 598 C THR A 44 7.513 -5.784 5.210 1.00 0.00 C ATOM 599 O THR A 44 6.545 -6.001 4.483 1.00 0.00 O ATOM 600 CB THR A 44 7.486 -3.442 6.238 1.00 0.00 C ATOM 601 OG1 THR A 44 7.805 -2.146 5.738 1.00 0.00 O ATOM 602 CG2 THR A 44 8.134 -3.479 7.623 1.00 0.00 C ATOM 0 H THR A 44 7.806 -2.814 3.924 1.00 0.00 H new ATOM 0 HA THR A 44 9.184 -4.561 5.581 1.00 0.00 H new ATOM 0 HB THR A 44 6.429 -3.695 6.326 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.029 -1.556 5.841 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.619 -2.783 8.285 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.063 -4.487 8.031 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.183 -3.193 7.542 1.00 0.00 H new ATOM 610 N ARG A 45 8.074 -6.687 6.000 1.00 0.00 N ATOM 611 CA ARG A 45 7.646 -8.075 5.973 1.00 0.00 C ATOM 612 C ARG A 45 7.326 -8.560 7.389 1.00 0.00 C ATOM 613 O ARG A 45 7.867 -8.040 8.364 1.00 0.00 O ATOM 614 CB ARG A 45 8.726 -8.973 5.366 1.00 0.00 C ATOM 615 CG ARG A 45 8.712 -8.892 3.839 1.00 0.00 C ATOM 616 CD ARG A 45 9.497 -10.050 3.221 1.00 0.00 C ATOM 617 NE ARG A 45 9.263 -10.099 1.760 1.00 0.00 N ATOM 618 CZ ARG A 45 9.688 -11.098 0.958 1.00 0.00 C ATOM 619 NH1 ARG A 45 10.417 -12.069 1.476 1.00 0.00 N ATOM 620 NH2 ARG A 45 9.371 -11.105 -0.354 1.00 0.00 N ATOM 0 H ARG A 45 8.822 -6.484 6.663 1.00 0.00 H new ATOM 0 HA ARG A 45 6.751 -8.133 5.354 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.705 -8.674 5.741 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.565 -10.004 5.680 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.683 -8.913 3.480 1.00 0.00 H new ATOM 0 HG3 ARG A 45 9.143 -7.944 3.518 1.00 0.00 H new ATOM 0 HD2 ARG A 45 10.561 -9.927 3.423 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.192 -10.991 3.678 1.00 0.00 H new ATOM 0 HE ARG A 45 8.748 -9.329 1.332 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.651 -12.057 2.469 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.746 -12.831 0.884 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.806 -10.352 -0.746 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.696 -11.864 -0.953 1.00 0.00 H new ATOM 633 N ASP A 46 6.449 -9.551 7.456 1.00 0.00 N ATOM 634 CA ASP A 46 6.088 -10.144 8.732 1.00 0.00 C ATOM 635 C ASP A 46 7.337 -10.258 9.608 1.00 0.00 C ATOM 636 O ASP A 46 7.248 -10.195 10.834 1.00 0.00 O ATOM 637 CB ASP A 46 5.513 -11.550 8.543 1.00 0.00 C ATOM 638 CG ASP A 46 4.108 -11.755 9.111 1.00 0.00 C ATOM 639 OD1 ASP A 46 3.839 -11.441 10.279 1.00 0.00 O ATOM 640 OD2 ASP A 46 3.257 -12.271 8.288 1.00 0.00 O ATOM 0 H ASP A 46 5.978 -9.958 6.648 1.00 0.00 H new ATOM 0 HA ASP A 46 5.337 -9.507 9.200 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.495 -11.779 7.477 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.186 -12.268 9.012 1.00 0.00 H new ATOM 646 N LEU A 47 8.472 -10.425 8.946 1.00 0.00 N ATOM 647 CA LEU A 47 9.749 -10.418 9.639 1.00 0.00 C ATOM 648 C LEU A 47 10.081 -8.990 10.074 1.00 0.00 C ATOM 649 O LEU A 47 11.058 -8.405 9.609 1.00 0.00 O ATOM 650 CB LEU A 47 10.832 -11.063 8.770 1.00 0.00 C ATOM 651 CG LEU A 47 10.861 -12.592 8.760 1.00 0.00 C ATOM 652 CD1 LEU A 47 11.294 -13.141 10.122 1.00 0.00 C ATOM 653 CD2 LEU A 47 9.515 -13.164 8.313 1.00 0.00 C ATOM 0 H LEU A 47 8.534 -10.566 7.938 1.00 0.00 H new ATOM 0 HA LEU A 47 9.695 -11.023 10.544 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.703 -10.715 7.745 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.804 -10.703 9.108 1.00 0.00 H new ATOM 0 HG LEU A 47 11.605 -12.914 8.031 1.00 0.00 H new ATOM 0 HD11 LEU A 47 11.306 -14.230 10.088 1.00 0.00 H new ATOM 0 HD12 LEU A 47 12.292 -12.774 10.362 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.592 -12.810 10.888 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.564 -14.253 8.315 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.734 -12.834 8.998 1.00 0.00 H new ATOM 0 HD23 LEU A 47 9.287 -12.813 7.307 1.00 0.00 H new ATOM 665 N ARG A 48 9.247 -8.468 10.963 1.00 0.00 N ATOM 666 CA ARG A 48 9.396 -7.095 11.413 1.00 0.00 C ATOM 667 C ARG A 48 8.140 -6.641 12.160 1.00 0.00 C ATOM 668 O ARG A 48 7.270 -5.992 11.582 1.00 0.00 O ATOM 669 CB ARG A 48 9.646 -6.152 10.233 1.00 0.00 C ATOM 670 CG ARG A 48 11.099 -5.674 10.212 1.00 0.00 C ATOM 671 CD ARG A 48 11.538 -5.318 8.791 1.00 0.00 C ATOM 672 NE ARG A 48 12.923 -4.798 8.804 1.00 0.00 N ATOM 673 CZ ARG A 48 13.244 -3.505 9.020 1.00 0.00 C ATOM 674 NH1 ARG A 48 12.277 -2.632 9.233 1.00 0.00 N ATOM 675 NH2 ARG A 48 14.536 -3.109 9.017 1.00 0.00 N ATOM 0 H ARG A 48 8.466 -8.972 11.383 1.00 0.00 H new ATOM 0 HA ARG A 48 10.255 -7.058 12.083 1.00 0.00 H new ATOM 0 HB2 ARG A 48 9.414 -6.663 9.299 1.00 0.00 H new ATOM 0 HB3 ARG A 48 8.978 -5.293 10.301 1.00 0.00 H new ATOM 0 HG2 ARG A 48 11.209 -4.804 10.859 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.748 -6.453 10.613 1.00 0.00 H new ATOM 0 HD2 ARG A 48 11.478 -6.199 8.152 1.00 0.00 H new ATOM 0 HD3 ARG A 48 10.865 -4.572 8.370 1.00 0.00 H new ATOM 0 HE ARG A 48 13.683 -5.458 8.639 1.00 0.00 H new ATOM 0 HH11 ARG A 48 11.304 -2.938 9.233 1.00 0.00 H new ATOM 0 HH12 ARG A 48 12.503 -1.651 9.398 1.00 0.00 H new ATOM 0 HH21 ARG A 48 15.278 -3.789 8.851 1.00 0.00 H new ATOM 0 HH22 ARG A 48 14.770 -2.130 9.181 1.00 0.00 H new ATOM 688 N TRP A 49 8.086 -7.002 13.434 1.00 0.00 N ATOM 689 CA TRP A 49 6.945 -6.655 14.263 1.00 0.00 C ATOM 690 C TRP A 49 6.942 -5.137 14.453 1.00 0.00 C ATOM 691 O TRP A 49 7.789 -4.438 13.899 1.00 0.00 O ATOM 692 CB TRP A 49 6.973 -7.423 15.586 1.00 0.00 C ATOM 693 CG TRP A 49 5.589 -7.803 16.115 1.00 0.00 C ATOM 694 CD1 TRP A 49 4.541 -8.271 15.424 1.00 0.00 C ATOM 695 CD2 TRP A 49 5.142 -7.727 17.485 1.00 0.00 C ATOM 696 NE1 TRP A 49 3.457 -8.501 16.244 1.00 0.00 N ATOM 697 CE2 TRP A 49 3.833 -8.161 17.538 1.00 0.00 C ATOM 698 CE3 TRP A 49 5.822 -7.307 18.642 1.00 0.00 C ATOM 699 CZ2 TRP A 49 3.091 -8.215 18.723 1.00 0.00 C ATOM 700 CZ3 TRP A 49 5.066 -7.368 19.819 1.00 0.00 C ATOM 701 CH2 TRP A 49 3.748 -7.801 19.888 1.00 0.00 C ATOM 0 H TRP A 49 8.815 -7.532 13.912 1.00 0.00 H new ATOM 0 HA TRP A 49 6.014 -6.947 13.777 1.00 0.00 H new ATOM 0 HB2 TRP A 49 7.562 -8.331 15.455 1.00 0.00 H new ATOM 0 HB3 TRP A 49 7.483 -6.817 16.335 1.00 0.00 H new ATOM 0 HD1 TRP A 49 4.545 -8.446 14.358 1.00 0.00 H new ATOM 0 HE1 TRP A 49 2.546 -8.856 15.954 1.00 0.00 H new ATOM 0 HE3 TRP A 49 6.846 -6.965 18.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.067 -8.558 18.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 5.541 -7.057 20.738 1.00 0.00 H new ATOM 0 HH2 TRP A 49 3.232 -7.818 20.837 1.00 0.00 H new ATOM 712 N TRP A 50 5.981 -4.673 15.236 1.00 0.00 N ATOM 713 CA TRP A 50 5.790 -3.244 15.420 1.00 0.00 C ATOM 714 C TRP A 50 5.207 -3.020 16.816 1.00 0.00 C ATOM 715 O TRP A 50 5.841 -2.396 17.665 1.00 0.00 O ATOM 716 CB TRP A 50 4.917 -2.659 14.307 1.00 0.00 C ATOM 717 CG TRP A 50 4.613 -3.642 13.174 1.00 0.00 C ATOM 718 CD1 TRP A 50 4.170 -4.902 13.273 1.00 0.00 C ATOM 719 CD2 TRP A 50 4.747 -3.390 11.760 1.00 0.00 C ATOM 720 NE1 TRP A 50 4.010 -5.480 12.030 1.00 0.00 N ATOM 721 CE2 TRP A 50 4.372 -4.532 11.081 1.00 0.00 C ATOM 722 CE3 TRP A 50 5.171 -2.238 11.077 1.00 0.00 C ATOM 723 CZ2 TRP A 50 4.383 -4.632 9.685 1.00 0.00 C ATOM 724 CZ3 TRP A 50 5.178 -2.354 9.681 1.00 0.00 C ATOM 725 CH2 TRP A 50 4.803 -3.495 8.983 1.00 0.00 C ATOM 0 H TRP A 50 5.325 -5.261 15.751 1.00 0.00 H new ATOM 0 HA TRP A 50 6.741 -2.717 15.351 1.00 0.00 H new ATOM 0 HB2 TRP A 50 3.977 -2.316 14.739 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.415 -1.783 13.891 1.00 0.00 H new ATOM 0 HD1 TRP A 50 3.964 -5.403 14.208 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.686 -6.429 11.843 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.468 -1.334 11.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 4.084 -5.537 9.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 5.497 -1.496 9.107 1.00 0.00 H new ATOM 0 HH2 TRP A 50 4.835 -3.505 7.904 1.00 0.00 H new ATOM 736 N GLU A 51 4.005 -3.543 17.012 1.00 0.00 N ATOM 737 CA GLU A 51 3.331 -3.410 18.292 1.00 0.00 C ATOM 738 C GLU A 51 2.145 -4.374 18.370 1.00 0.00 C ATOM 739 O GLU A 51 2.251 -5.447 18.963 1.00 0.00 O ATOM 740 CB GLU A 51 2.879 -1.967 18.525 1.00 0.00 C ATOM 741 CG GLU A 51 2.504 -1.290 17.205 1.00 0.00 C ATOM 742 CD GLU A 51 3.450 -0.128 16.897 1.00 0.00 C ATOM 743 OE1 GLU A 51 4.163 -0.162 15.883 1.00 0.00 O ATOM 744 OE2 GLU A 51 3.428 0.837 17.754 1.00 0.00 O ATOM 0 H GLU A 51 3.481 -4.059 16.306 1.00 0.00 H new ATOM 0 HA GLU A 51 4.037 -3.668 19.081 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.023 -1.955 19.200 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.677 -1.406 19.012 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.541 -2.018 16.395 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.478 -0.925 17.258 1.00 0.00 H new ATOM 752 N LEU A 52 1.044 -3.959 17.762 1.00 0.00 N ATOM 753 CA LEU A 52 -0.147 -4.788 17.723 1.00 0.00 C ATOM 754 C LEU A 52 -1.070 -4.297 16.606 1.00 0.00 C ATOM 755 O LEU A 52 -0.890 -3.197 16.086 1.00 0.00 O ATOM 756 CB LEU A 52 -0.817 -4.831 19.098 1.00 0.00 C ATOM 757 CG LEU A 52 -1.685 -3.624 19.459 1.00 0.00 C ATOM 758 CD1 LEU A 52 -0.917 -2.317 19.258 1.00 0.00 C ATOM 759 CD2 LEU A 52 -3.000 -3.642 18.679 1.00 0.00 C ATOM 0 H LEU A 52 0.952 -3.058 17.292 1.00 0.00 H new ATOM 0 HA LEU A 52 0.117 -5.820 17.490 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.435 -5.727 19.151 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.040 -4.935 19.856 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.938 -3.689 20.517 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.557 -1.475 19.522 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.032 -2.314 19.894 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.614 -2.230 18.215 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.598 -2.773 18.954 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.789 -3.614 17.610 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.551 -4.552 18.916 1.00 0.00 H new ATOM 771 N ARG A 53 -2.038 -5.136 16.270 1.00 0.00 N ATOM 772 CA ARG A 53 -2.997 -4.795 15.231 1.00 0.00 C ATOM 773 C ARG A 53 -4.326 -5.511 15.481 1.00 0.00 C ATOM 774 O ARG A 53 -5.393 -4.933 15.278 1.00 0.00 O ATOM 775 CB ARG A 53 -2.470 -5.181 13.847 1.00 0.00 C ATOM 776 CG ARG A 53 -3.182 -4.388 12.749 1.00 0.00 C ATOM 777 CD ARG A 53 -2.532 -3.017 12.555 1.00 0.00 C ATOM 778 NE ARG A 53 -3.243 -2.265 11.497 1.00 0.00 N ATOM 779 CZ ARG A 53 -4.387 -1.575 11.698 1.00 0.00 C ATOM 780 NH1 ARG A 53 -4.921 -1.558 12.906 1.00 0.00 N ATOM 781 NH2 ARG A 53 -4.974 -0.912 10.679 1.00 0.00 N ATOM 782 OXT ARG A 53 -4.221 -6.723 15.907 1.00 0.00 O ATOM 0 H ARG A 53 -2.180 -6.051 16.698 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.150 -3.716 15.261 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.397 -4.995 13.797 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.616 -6.249 13.683 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.149 -4.946 11.813 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.233 -4.263 13.009 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.558 -2.458 13.490 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.483 -3.138 12.285 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.845 -2.268 10.558 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.470 -2.061 13.670 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.784 -1.042 13.075 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.554 -0.930 9.750 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.838 -0.393 10.838 1.00 0.00 H new TER 796 ARG A 53