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 Single : A 1 ASN : amide:sc= -0.223 X(o=-0.22,f=-0.032) USER MOD Single : A 1 ASN N :NH3+ -168:sc= -0.0556 (180deg=-0.244) 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 -137:sc= 0.532 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -1.88 X(o=-1.9,f=-1.7) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS :FLIP no HE2:sc= -2.47 F(o=-8.3!,f=-2.5) 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 73:sc= 0.444 USER MOD Single : A 32 ASN : amide:sc= -0.0654 K(o=-0.065,f=-6!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.79! C(o=-0.79!,f=-1.6!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0595 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -6.121 12.561 -0.565 1.00 0.00 N ATOM 2 CA ASN A 1 -7.268 11.670 -0.534 1.00 0.00 C ATOM 3 C ASN A 1 -6.908 10.356 -1.229 1.00 0.00 C ATOM 4 O ASN A 1 -6.269 10.360 -2.281 1.00 0.00 O ATOM 5 CB ASN A 1 -8.462 12.282 -1.269 1.00 0.00 C ATOM 6 CG ASN A 1 -8.861 13.622 -0.647 1.00 0.00 C ATOM 7 OD1 ASN A 1 -9.723 13.704 0.212 1.00 0.00 O ATOM 8 ND2 ASN A 1 -8.188 14.663 -1.128 1.00 0.00 N ATOM 0 H1 ASN A 1 -6.288 13.364 0.074 1.00 0.00 H new ATOM 0 H2 ASN A 1 -5.272 12.045 -0.258 1.00 0.00 H new ATOM 0 H3 ASN A 1 -5.981 12.913 -1.534 1.00 0.00 H new ATOM 0 HA ASN A 1 -7.535 11.502 0.509 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -8.212 12.425 -2.320 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -9.307 11.594 -1.233 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -8.381 15.601 -0.778 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -7.479 14.523 -1.847 1.00 0.00 H new ATOM 16 N SER A 2 -7.331 9.261 -0.614 1.00 0.00 N ATOM 17 CA SER A 2 -7.057 7.943 -1.159 1.00 0.00 C ATOM 18 C SER A 2 -8.112 7.578 -2.204 1.00 0.00 C ATOM 19 O SER A 2 -9.278 7.371 -1.869 1.00 0.00 O ATOM 20 CB SER A 2 -7.019 6.886 -0.052 1.00 0.00 C ATOM 21 OG SER A 2 -6.036 7.183 0.936 1.00 0.00 O ATOM 0 H SER A 2 -7.862 9.260 0.257 1.00 0.00 H new ATOM 0 HA SER A 2 -6.077 7.968 -1.635 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.999 6.820 0.420 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.810 5.910 -0.490 1.00 0.00 H new ATOM 0 HG SER A 2 -6.044 6.486 1.625 1.00 0.00 H new ATOM 27 N TYR A 3 -7.667 7.512 -3.450 1.00 0.00 N ATOM 28 CA TYR A 3 -8.559 7.174 -4.547 1.00 0.00 C ATOM 29 C TYR A 3 -8.091 5.905 -5.262 1.00 0.00 C ATOM 30 O TYR A 3 -6.897 5.722 -5.491 1.00 0.00 O ATOM 31 CB TYR A 3 -8.491 8.350 -5.523 1.00 0.00 C ATOM 32 CG TYR A 3 -9.088 8.050 -6.899 1.00 0.00 C ATOM 33 CD1 TYR A 3 -10.448 8.170 -7.103 1.00 0.00 C ATOM 34 CD2 TYR A 3 -8.266 7.662 -7.938 1.00 0.00 C ATOM 35 CE1 TYR A 3 -11.010 7.889 -8.399 1.00 0.00 C ATOM 36 CE2 TYR A 3 -8.828 7.380 -9.233 1.00 0.00 C ATOM 37 CZ TYR A 3 -10.172 7.507 -9.400 1.00 0.00 C ATOM 38 OH TYR A 3 -10.703 7.242 -10.623 1.00 0.00 O ATOM 0 H TYR A 3 -6.700 7.687 -3.725 1.00 0.00 H new ATOM 0 HA TYR A 3 -9.569 6.994 -4.179 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -9.015 9.201 -5.088 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -7.450 8.647 -5.647 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -11.091 8.475 -6.290 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -7.202 7.570 -7.779 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -12.072 7.980 -8.572 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -8.196 7.074 -10.054 1.00 0.00 H new ATOM 0 HH TYR A 3 -9.988 6.982 -11.241 1.00 0.00 H new ATOM 48 N PRO A 4 -9.019 5.010 -5.626 1.00 0.00 N ATOM 49 CA PRO A 4 -8.649 3.793 -6.352 1.00 0.00 C ATOM 50 C PRO A 4 -8.178 4.087 -7.767 1.00 0.00 C ATOM 51 O PRO A 4 -8.943 4.588 -8.589 1.00 0.00 O ATOM 52 CB PRO A 4 -9.933 2.961 -6.344 1.00 0.00 C ATOM 53 CG PRO A 4 -11.023 3.991 -6.256 1.00 0.00 C ATOM 54 CD PRO A 4 -10.471 5.079 -5.381 1.00 0.00 C ATOM 0 HA PRO A 4 -7.808 3.276 -5.890 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.025 2.357 -7.247 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -9.961 2.275 -5.497 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -11.283 4.374 -7.243 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -11.932 3.566 -5.829 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.878 6.054 -5.648 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -10.710 4.910 -4.331 1.00 0.00 H new ATOM 62 N GLY A 5 -6.916 3.765 -8.015 1.00 0.00 N ATOM 63 CA GLY A 5 -6.322 4.013 -9.318 1.00 0.00 C ATOM 64 C GLY A 5 -4.928 3.390 -9.413 1.00 0.00 C ATOM 65 O GLY A 5 -4.232 3.262 -8.406 1.00 0.00 O ATOM 0 H GLY A 5 -6.289 3.335 -7.335 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.962 3.601 -10.098 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.257 5.087 -9.494 1.00 0.00 H new ATOM 69 N CYS A 6 -4.562 3.020 -10.632 1.00 0.00 N ATOM 70 CA CYS A 6 -3.250 2.446 -10.876 1.00 0.00 C ATOM 71 C CYS A 6 -3.139 2.120 -12.366 1.00 0.00 C ATOM 72 O CYS A 6 -3.599 1.069 -12.811 1.00 0.00 O ATOM 73 CB CYS A 6 -2.998 1.216 -10.001 1.00 0.00 C ATOM 74 SG CYS A 6 -4.453 0.131 -9.767 1.00 0.00 S ATOM 0 H CYS A 6 -5.151 3.107 -11.460 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.478 3.166 -10.604 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -2.193 0.630 -10.445 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -2.649 1.548 -9.023 1.00 0.00 H new ATOM 79 N PRO A 7 -2.529 3.008 -13.162 1.00 0.00 N ATOM 80 CA PRO A 7 -2.428 2.785 -14.606 1.00 0.00 C ATOM 81 C PRO A 7 -1.498 1.631 -14.947 1.00 0.00 C ATOM 82 O PRO A 7 -0.927 1.005 -14.055 1.00 0.00 O ATOM 83 CB PRO A 7 -1.900 4.116 -15.144 1.00 0.00 C ATOM 84 CG PRO A 7 -1.131 4.688 -13.988 1.00 0.00 C ATOM 85 CD PRO A 7 -1.895 4.279 -12.762 1.00 0.00 C ATOM 0 HA PRO A 7 -3.383 2.501 -15.047 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.263 3.971 -16.016 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -2.713 4.775 -15.449 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.112 4.301 -13.964 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.058 5.773 -14.062 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.236 4.147 -11.904 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -2.637 5.027 -12.482 1.00 0.00 H new ATOM 93 N SER A 8 -1.370 1.379 -16.241 1.00 0.00 N ATOM 94 CA SER A 8 -0.555 0.272 -16.712 1.00 0.00 C ATOM 95 C SER A 8 0.928 0.639 -16.622 1.00 0.00 C ATOM 96 O SER A 8 1.794 -0.222 -16.767 1.00 0.00 O ATOM 97 CB SER A 8 -0.921 -0.111 -18.146 1.00 0.00 C ATOM 98 OG SER A 8 -0.914 1.015 -19.018 1.00 0.00 O ATOM 0 H SER A 8 -1.817 1.923 -16.979 1.00 0.00 H new ATOM 0 HA SER A 8 -0.749 -0.591 -16.074 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.217 -0.858 -18.513 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.909 -0.572 -18.157 1.00 0.00 H new ATOM 0 HG SER A 8 -1.151 0.728 -19.925 1.00 0.00 H new ATOM 104 N SER A 9 1.174 1.919 -16.384 1.00 0.00 N ATOM 105 CA SER A 9 2.537 2.413 -16.285 1.00 0.00 C ATOM 106 C SER A 9 3.341 1.538 -15.321 1.00 0.00 C ATOM 107 O SER A 9 4.491 1.197 -15.598 1.00 0.00 O ATOM 108 CB SER A 9 2.562 3.871 -15.823 1.00 0.00 C ATOM 109 OG SER A 9 1.694 4.692 -16.599 1.00 0.00 O ATOM 0 H SER A 9 0.453 2.629 -16.257 1.00 0.00 H new ATOM 0 HA SER A 9 2.991 2.366 -17.275 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.270 3.924 -14.774 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.580 4.255 -15.890 1.00 0.00 H new ATOM 0 HG SER A 9 1.737 5.615 -16.272 1.00 0.00 H new ATOM 115 N TYR A 10 2.706 1.198 -14.209 1.00 0.00 N ATOM 116 CA TYR A 10 3.359 0.396 -13.188 1.00 0.00 C ATOM 117 C TYR A 10 3.046 -1.089 -13.375 1.00 0.00 C ATOM 118 O TYR A 10 3.955 -1.906 -13.517 1.00 0.00 O ATOM 119 CB TYR A 10 2.781 0.864 -11.852 1.00 0.00 C ATOM 120 CG TYR A 10 2.979 2.355 -11.574 1.00 0.00 C ATOM 121 CD1 TYR A 10 4.212 2.823 -11.170 1.00 0.00 C ATOM 122 CD2 TYR A 10 1.925 3.232 -11.729 1.00 0.00 C ATOM 123 CE1 TYR A 10 4.399 4.227 -10.909 1.00 0.00 C ATOM 124 CE2 TYR A 10 2.112 4.636 -11.469 1.00 0.00 C ATOM 125 CZ TYR A 10 3.341 5.064 -11.071 1.00 0.00 C ATOM 126 OH TYR A 10 3.517 6.390 -10.825 1.00 0.00 O ATOM 0 H TYR A 10 1.745 1.464 -13.992 1.00 0.00 H new ATOM 0 HA TYR A 10 4.441 0.515 -13.239 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.714 0.640 -11.831 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.243 0.291 -11.048 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.037 2.137 -11.049 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.960 2.865 -12.045 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.359 4.606 -10.591 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.296 5.333 -11.587 1.00 0.00 H new ATOM 0 HH TYR A 10 2.750 6.734 -10.322 1.00 0.00 H new ATOM 136 N ASP A 11 1.757 -1.395 -13.369 1.00 0.00 N ATOM 137 CA ASP A 11 1.313 -2.771 -13.510 1.00 0.00 C ATOM 138 C ASP A 11 2.139 -3.666 -12.585 1.00 0.00 C ATOM 139 O ASP A 11 3.051 -4.359 -13.036 1.00 0.00 O ATOM 140 CB ASP A 11 1.508 -3.268 -14.945 1.00 0.00 C ATOM 141 CG ASP A 11 0.303 -3.066 -15.867 1.00 0.00 C ATOM 142 OD1 ASP A 11 0.457 -2.822 -17.074 1.00 0.00 O ATOM 143 OD2 ASP A 11 -0.847 -3.170 -15.293 1.00 0.00 O ATOM 0 H ASP A 11 1.005 -0.713 -13.269 1.00 0.00 H new ATOM 0 HA ASP A 11 0.254 -2.812 -13.254 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.368 -2.756 -15.378 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.751 -4.330 -14.916 1.00 0.00 H new ATOM 149 N GLY A 12 1.790 -3.625 -11.307 1.00 0.00 N ATOM 150 CA GLY A 12 2.465 -4.451 -10.320 1.00 0.00 C ATOM 151 C GLY A 12 3.150 -3.587 -9.259 1.00 0.00 C ATOM 152 O GLY A 12 4.311 -3.814 -8.925 1.00 0.00 O ATOM 0 H GLY A 12 1.049 -3.033 -10.933 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.745 -5.116 -9.843 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.204 -5.082 -10.813 1.00 0.00 H new ATOM 156 N TYR A 13 2.402 -2.614 -8.760 1.00 0.00 N ATOM 157 CA TYR A 13 2.911 -1.738 -7.718 1.00 0.00 C ATOM 158 C TYR A 13 2.531 -2.260 -6.331 1.00 0.00 C ATOM 159 O TYR A 13 2.686 -1.555 -5.335 1.00 0.00 O ATOM 160 CB TYR A 13 2.238 -0.382 -7.941 1.00 0.00 C ATOM 161 CG TYR A 13 3.031 0.804 -7.389 1.00 0.00 C ATOM 162 CD1 TYR A 13 4.090 1.320 -8.109 1.00 0.00 C ATOM 163 CD2 TYR A 13 2.689 1.356 -6.172 1.00 0.00 C ATOM 164 CE1 TYR A 13 4.836 2.437 -7.590 1.00 0.00 C ATOM 165 CE2 TYR A 13 3.436 2.473 -5.653 1.00 0.00 C ATOM 166 CZ TYR A 13 4.472 2.958 -6.388 1.00 0.00 C ATOM 167 OH TYR A 13 5.177 4.013 -5.898 1.00 0.00 O ATOM 0 H TYR A 13 1.447 -2.413 -9.058 1.00 0.00 H new ATOM 0 HA TYR A 13 3.998 -1.678 -7.764 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.083 -0.236 -9.010 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.253 -0.396 -7.475 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.359 0.886 -9.061 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.862 0.951 -5.608 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.666 2.852 -8.143 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.179 2.915 -4.702 1.00 0.00 H new ATOM 0 HH TYR A 13 4.805 4.281 -5.032 1.00 0.00 H new ATOM 177 N CYS A 14 2.044 -3.493 -6.310 1.00 0.00 N ATOM 178 CA CYS A 14 1.650 -4.120 -5.060 1.00 0.00 C ATOM 179 C CYS A 14 2.274 -5.517 -5.007 1.00 0.00 C ATOM 180 O CYS A 14 2.141 -6.295 -5.949 1.00 0.00 O ATOM 181 CB CYS A 14 0.130 -4.167 -4.905 1.00 0.00 C ATOM 182 SG CYS A 14 -0.761 -2.745 -5.635 1.00 0.00 S ATOM 0 H CYS A 14 1.914 -4.074 -7.138 1.00 0.00 H new ATOM 0 HA CYS A 14 2.015 -3.527 -4.221 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.240 -5.084 -5.364 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.111 -4.223 -3.843 1.00 0.00 H new ATOM 187 N LEU A 15 2.940 -5.790 -3.894 1.00 0.00 N ATOM 188 CA LEU A 15 3.554 -7.091 -3.691 1.00 0.00 C ATOM 189 C LEU A 15 3.018 -7.706 -2.396 1.00 0.00 C ATOM 190 O LEU A 15 2.256 -7.069 -1.672 1.00 0.00 O ATOM 191 CB LEU A 15 5.079 -6.978 -3.733 1.00 0.00 C ATOM 192 CG LEU A 15 5.657 -6.122 -4.862 1.00 0.00 C ATOM 193 CD1 LEU A 15 7.107 -5.734 -4.568 1.00 0.00 C ATOM 194 CD2 LEU A 15 5.514 -6.828 -6.212 1.00 0.00 C ATOM 0 H LEU A 15 3.068 -5.133 -3.124 1.00 0.00 H new ATOM 0 HA LEU A 15 3.286 -7.769 -4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.420 -6.568 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.496 -7.982 -3.815 1.00 0.00 H new ATOM 0 HG LEU A 15 5.082 -5.198 -4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.494 -5.126 -5.386 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.150 -5.164 -3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.712 -6.635 -4.468 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.932 -6.199 -6.998 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.048 -7.778 -6.184 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.459 -7.011 -6.417 1.00 0.00 H new ATOM 206 N ASN A 16 3.438 -8.937 -2.145 1.00 0.00 N ATOM 207 CA ASN A 16 3.089 -9.608 -0.905 1.00 0.00 C ATOM 208 C ASN A 16 1.579 -9.502 -0.680 1.00 0.00 C ATOM 209 O ASN A 16 1.134 -9.177 0.420 1.00 0.00 O ATOM 210 CB ASN A 16 3.792 -8.962 0.289 1.00 0.00 C ATOM 211 CG ASN A 16 5.312 -9.003 0.119 1.00 0.00 C ATOM 212 OD1 ASN A 16 5.903 -10.031 -0.165 1.00 0.00 O ATOM 213 ND2 ASN A 16 5.910 -7.830 0.308 1.00 0.00 N ATOM 0 H ASN A 16 4.017 -9.487 -2.779 1.00 0.00 H new ATOM 0 HA ASN A 16 3.402 -10.649 -0.986 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.462 -7.928 0.394 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.511 -9.481 1.205 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.923 -7.753 0.217 1.00 0.00 H new ATOM 0 HD22 ASN A 16 5.356 -7.007 0.544 1.00 0.00 H new ATOM 220 N GLY A 17 0.834 -9.780 -1.739 1.00 0.00 N ATOM 221 CA GLY A 17 -0.614 -9.835 -1.641 1.00 0.00 C ATOM 222 C GLY A 17 -1.184 -8.491 -1.183 1.00 0.00 C ATOM 223 O GLY A 17 -1.943 -8.431 -0.216 1.00 0.00 O ATOM 0 H GLY A 17 1.206 -9.970 -2.670 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.038 -10.103 -2.609 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.905 -10.616 -0.939 1.00 0.00 H new ATOM 227 N GLY A 18 -0.797 -7.445 -1.899 1.00 0.00 N ATOM 228 CA GLY A 18 -1.308 -6.115 -1.617 1.00 0.00 C ATOM 229 C GLY A 18 -2.282 -5.660 -2.706 1.00 0.00 C ATOM 230 O GLY A 18 -2.257 -6.177 -3.821 1.00 0.00 O ATOM 0 H GLY A 18 -0.135 -7.492 -2.674 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.811 -6.112 -0.650 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.479 -5.410 -1.547 1.00 0.00 H new ATOM 234 N VAL A 19 -3.117 -4.697 -2.343 1.00 0.00 N ATOM 235 CA VAL A 19 -4.115 -4.186 -3.266 1.00 0.00 C ATOM 236 C VAL A 19 -3.691 -2.800 -3.755 1.00 0.00 C ATOM 237 O VAL A 19 -2.875 -2.136 -3.116 1.00 0.00 O ATOM 238 CB VAL A 19 -5.493 -4.189 -2.600 1.00 0.00 C ATOM 239 CG1 VAL A 19 -5.950 -2.764 -2.279 1.00 0.00 C ATOM 240 CG2 VAL A 19 -6.522 -4.910 -3.474 1.00 0.00 C ATOM 0 H VAL A 19 -3.122 -4.258 -1.422 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.190 -4.830 -4.142 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.410 -4.734 -1.660 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -6.932 -2.795 -1.807 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.236 -2.297 -1.601 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.009 -2.184 -3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.493 -4.898 -2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.600 -4.404 -4.436 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.207 -5.942 -3.631 1.00 0.00 H new ATOM 250 N CYS A 20 -4.261 -2.404 -4.882 1.00 0.00 N ATOM 251 CA CYS A 20 -3.879 -1.154 -5.517 1.00 0.00 C ATOM 252 C CYS A 20 -4.674 -0.021 -4.864 1.00 0.00 C ATOM 253 O CYS A 20 -5.840 -0.196 -4.517 1.00 0.00 O ATOM 254 CB CYS A 20 -4.090 -1.200 -7.031 1.00 0.00 C ATOM 255 SG CYS A 20 -4.777 0.332 -7.758 1.00 0.00 S ATOM 0 H CYS A 20 -4.986 -2.927 -5.373 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.813 -0.980 -5.371 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.135 -1.416 -7.510 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.759 -2.028 -7.265 1.00 0.00 H new ATOM 260 N MET A 21 -4.010 1.116 -4.718 1.00 0.00 N ATOM 261 CA MET A 21 -4.669 2.307 -4.207 1.00 0.00 C ATOM 262 C MET A 21 -3.832 3.557 -4.484 1.00 0.00 C ATOM 263 O MET A 21 -2.655 3.611 -4.133 1.00 0.00 O ATOM 264 CB MET A 21 -4.889 2.162 -2.700 1.00 0.00 C ATOM 265 CG MET A 21 -6.382 2.156 -2.363 1.00 0.00 C ATOM 266 SD MET A 21 -7.073 3.780 -2.625 1.00 0.00 S ATOM 267 CE MET A 21 -8.752 3.491 -2.092 1.00 0.00 C ATOM 0 H MET A 21 -3.023 1.238 -4.944 1.00 0.00 H new ATOM 0 HA MET A 21 -5.628 2.415 -4.714 1.00 0.00 H new ATOM 0 HB2 MET A 21 -4.429 1.238 -2.349 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.397 2.982 -2.176 1.00 0.00 H new ATOM 0 HG2 MET A 21 -6.901 1.426 -2.985 1.00 0.00 H new ATOM 0 HG3 MET A 21 -6.528 1.852 -1.326 1.00 0.00 H new ATOM 0 HE1 MET A 21 -9.328 4.411 -2.190 1.00 0.00 H new ATOM 0 HE2 MET A 21 -9.201 2.713 -2.710 1.00 0.00 H new ATOM 0 HE3 MET A 21 -8.753 3.172 -1.050 1.00 0.00 H new ATOM 277 N HIS A 22 -4.474 4.532 -5.112 1.00 0.00 N ATOM 278 CA HIS A 22 -3.786 5.753 -5.499 1.00 0.00 C ATOM 279 C HIS A 22 -3.978 6.814 -4.415 1.00 0.00 C ATOM 280 O HIS A 22 -4.946 6.767 -3.657 1.00 0.00 O ATOM 281 CB HIS A 22 -4.249 6.223 -6.879 1.00 0.00 C ATOM 282 CG HIS A 22 -3.577 7.488 -7.353 1.00 0.00 C ATOM 283 ND1 HIS A 22 -2.257 7.783 -7.537 1.00 0.00 N flip ATOM 284 CD2 HIS A 22 -4.282 8.629 -7.696 1.00 0.00 C flip ATOM 285 CE1 HIS A 22 -2.162 9.033 -7.971 1.00 0.00 C flip ATOM 286 NE2 HIS A 22 -3.416 9.560 -8.069 1.00 0.00 N flip ATOM 0 H HIS A 22 -5.462 4.501 -5.362 1.00 0.00 H new ATOM 0 HA HIS A 22 -2.716 5.561 -5.586 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -4.061 5.431 -7.603 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -5.327 6.383 -6.854 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -1.476 7.149 -7.369 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.356 8.741 -7.665 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -1.243 9.548 -8.208 1.00 0.00 H new ATOM 294 N ILE A 23 -3.038 7.749 -4.374 1.00 0.00 N ATOM 295 CA ILE A 23 -3.145 8.877 -3.464 1.00 0.00 C ATOM 296 C ILE A 23 -3.264 10.170 -4.274 1.00 0.00 C ATOM 297 O ILE A 23 -2.741 10.263 -5.383 1.00 0.00 O ATOM 298 CB ILE A 23 -1.978 8.878 -2.474 1.00 0.00 C ATOM 299 CG1 ILE A 23 -1.131 7.612 -2.624 1.00 0.00 C ATOM 300 CG2 ILE A 23 -2.478 9.066 -1.040 1.00 0.00 C ATOM 301 CD1 ILE A 23 0.047 7.623 -1.649 1.00 0.00 C ATOM 0 H ILE A 23 -2.200 7.748 -4.956 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.048 8.794 -2.859 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.333 9.726 -2.705 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.749 6.733 -2.443 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.761 7.537 -3.646 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.630 9.063 -0.356 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.005 10.017 -0.960 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.156 8.252 -0.781 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.633 6.713 -1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.676 8.490 -1.849 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.327 7.674 -0.627 1.00 0.00 H new ATOM 313 N GLU A 24 -3.956 11.135 -3.688 1.00 0.00 N ATOM 314 CA GLU A 24 -4.220 12.390 -4.373 1.00 0.00 C ATOM 315 C GLU A 24 -3.731 13.569 -3.528 1.00 0.00 C ATOM 316 O GLU A 24 -4.209 14.690 -3.686 1.00 0.00 O ATOM 317 CB GLU A 24 -5.706 12.532 -4.704 1.00 0.00 C ATOM 318 CG GLU A 24 -6.179 11.390 -5.607 1.00 0.00 C ATOM 319 CD GLU A 24 -7.639 11.584 -6.017 1.00 0.00 C ATOM 320 OE1 GLU A 24 -8.478 11.942 -5.177 1.00 0.00 O ATOM 321 OE2 GLU A 24 -7.891 11.351 -7.260 1.00 0.00 O ATOM 0 H GLU A 24 -4.342 11.074 -2.746 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.671 12.390 -5.314 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.288 12.537 -3.783 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.882 13.488 -5.198 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.551 11.341 -6.497 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.067 10.439 -5.086 1.00 0.00 H new ATOM 329 N SER A 25 -2.783 13.274 -2.650 1.00 0.00 N ATOM 330 CA SER A 25 -2.161 14.310 -1.844 1.00 0.00 C ATOM 331 C SER A 25 -0.829 14.729 -2.470 1.00 0.00 C ATOM 332 O SER A 25 -0.475 15.906 -2.452 1.00 0.00 O ATOM 333 CB SER A 25 -1.945 13.835 -0.406 1.00 0.00 C ATOM 334 OG SER A 25 -1.326 14.834 0.400 1.00 0.00 O ATOM 0 H SER A 25 -2.431 12.332 -2.480 1.00 0.00 H new ATOM 0 HA SER A 25 -2.830 15.170 -1.817 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.904 13.559 0.032 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.326 12.938 -0.410 1.00 0.00 H new ATOM 0 HG SER A 25 -1.207 14.492 1.311 1.00 0.00 H new ATOM 340 N LEU A 26 -0.128 13.742 -3.008 1.00 0.00 N ATOM 341 CA LEU A 26 1.139 14.000 -3.673 1.00 0.00 C ATOM 342 C LEU A 26 1.056 13.521 -5.123 1.00 0.00 C ATOM 343 O LEU A 26 2.063 13.481 -5.825 1.00 0.00 O ATOM 344 CB LEU A 26 2.293 13.379 -2.885 1.00 0.00 C ATOM 345 CG LEU A 26 3.162 14.353 -2.086 1.00 0.00 C ATOM 346 CD1 LEU A 26 4.094 15.141 -3.009 1.00 0.00 C ATOM 347 CD2 LEU A 26 2.299 15.275 -1.222 1.00 0.00 C ATOM 0 H LEU A 26 -0.413 12.763 -2.997 1.00 0.00 H new ATOM 0 HA LEU A 26 1.343 15.070 -3.702 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.881 12.642 -2.196 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.934 12.840 -3.582 1.00 0.00 H new ATOM 0 HG LEU A 26 3.792 13.774 -1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.700 15.826 -2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.746 14.450 -3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.501 15.709 -3.726 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.941 15.957 -0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.628 15.849 -1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.713 14.677 -0.524 1.00 0.00 H new ATOM 359 N ASP A 27 -0.157 13.170 -5.527 1.00 0.00 N ATOM 360 CA ASP A 27 -0.366 12.583 -6.840 1.00 0.00 C ATOM 361 C ASP A 27 0.443 11.289 -6.950 1.00 0.00 C ATOM 362 O ASP A 27 0.803 10.869 -8.048 1.00 0.00 O ATOM 363 CB ASP A 27 0.102 13.529 -7.948 1.00 0.00 C ATOM 364 CG ASP A 27 -0.703 13.452 -9.246 1.00 0.00 C ATOM 365 OD1 ASP A 27 -0.177 13.073 -10.303 1.00 0.00 O ATOM 366 OD2 ASP A 27 -1.939 13.808 -9.142 1.00 0.00 O ATOM 0 H ASP A 27 -1.004 13.281 -4.969 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.432 12.391 -6.957 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.061 14.552 -7.573 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.147 13.313 -8.172 1.00 0.00 H new ATOM 372 N SER A 28 0.706 10.693 -5.796 1.00 0.00 N ATOM 373 CA SER A 28 1.496 9.475 -5.746 1.00 0.00 C ATOM 374 C SER A 28 0.578 8.252 -5.790 1.00 0.00 C ATOM 375 O SER A 28 -0.636 8.377 -5.637 1.00 0.00 O ATOM 376 CB SER A 28 2.371 9.437 -4.490 1.00 0.00 C ATOM 377 OG SER A 28 3.616 8.788 -4.726 1.00 0.00 O ATOM 0 H SER A 28 0.386 11.031 -4.889 1.00 0.00 H new ATOM 0 HA SER A 28 2.153 9.459 -6.615 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.553 10.455 -4.144 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.838 8.919 -3.692 1.00 0.00 H new ATOM 0 HG SER A 28 4.145 8.786 -3.901 1.00 0.00 H new ATOM 383 N TYR A 29 1.193 7.098 -6.001 1.00 0.00 N ATOM 384 CA TYR A 29 0.462 5.842 -5.963 1.00 0.00 C ATOM 385 C TYR A 29 0.942 4.964 -4.805 1.00 0.00 C ATOM 386 O TYR A 29 2.099 5.046 -4.398 1.00 0.00 O ATOM 387 CB TYR A 29 0.767 5.137 -7.285 1.00 0.00 C ATOM 388 CG TYR A 29 0.071 5.758 -8.497 1.00 0.00 C ATOM 389 CD1 TYR A 29 0.673 6.796 -9.180 1.00 0.00 C ATOM 390 CD2 TYR A 29 -1.157 5.282 -8.907 1.00 0.00 C ATOM 391 CE1 TYR A 29 0.018 7.381 -10.322 1.00 0.00 C ATOM 392 CE2 TYR A 29 -1.812 5.867 -10.049 1.00 0.00 C ATOM 393 CZ TYR A 29 -1.191 6.888 -10.700 1.00 0.00 C ATOM 394 OH TYR A 29 -1.810 7.441 -11.777 1.00 0.00 O ATOM 0 H TYR A 29 2.189 7.006 -6.199 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.604 6.021 -5.822 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.844 5.150 -7.452 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.469 4.092 -7.204 1.00 0.00 H new ATOM 0 HD1 TYR A 29 1.634 7.169 -8.858 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.628 4.471 -8.372 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.477 8.193 -10.866 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.773 5.504 -10.381 1.00 0.00 H new ATOM 0 HH TYR A 29 -1.136 7.778 -12.404 1.00 0.00 H new ATOM 404 N THR A 30 0.028 4.143 -4.310 1.00 0.00 N ATOM 405 CA THR A 30 0.331 3.279 -3.182 1.00 0.00 C ATOM 406 C THR A 30 -0.415 1.950 -3.311 1.00 0.00 C ATOM 407 O THR A 30 -1.050 1.687 -4.332 1.00 0.00 O ATOM 408 CB THR A 30 -0.006 4.042 -1.899 1.00 0.00 C ATOM 409 OG1 THR A 30 0.591 3.264 -0.865 1.00 0.00 O ATOM 410 CG2 THR A 30 -1.501 4.010 -1.574 1.00 0.00 C ATOM 0 H THR A 30 -0.923 4.058 -4.669 1.00 0.00 H new ATOM 0 HA THR A 30 1.389 3.020 -3.156 1.00 0.00 H new ATOM 0 HB THR A 30 0.322 5.077 -1.996 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.564 3.377 -0.891 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.685 4.566 -0.655 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.061 4.465 -2.391 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.823 2.977 -1.444 1.00 0.00 H new ATOM 418 N CYS A 31 -0.314 1.147 -2.263 1.00 0.00 N ATOM 419 CA CYS A 31 -0.884 -0.190 -2.286 1.00 0.00 C ATOM 420 C CYS A 31 -1.137 -0.629 -0.843 1.00 0.00 C ATOM 421 O CYS A 31 -0.257 -0.514 0.009 1.00 0.00 O ATOM 422 CB CYS A 31 0.017 -1.176 -3.033 1.00 0.00 C ATOM 423 SG CYS A 31 -0.106 -1.096 -4.857 1.00 0.00 S ATOM 0 H CYS A 31 0.154 1.396 -1.392 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.828 -0.177 -2.831 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.052 -0.992 -2.744 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.229 -2.188 -2.710 1.00 0.00 H new ATOM 428 N ASN A 32 -2.344 -1.125 -0.612 1.00 0.00 N ATOM 429 CA ASN A 32 -2.701 -1.650 0.695 1.00 0.00 C ATOM 430 C ASN A 32 -1.952 -2.963 0.934 1.00 0.00 C ATOM 431 O ASN A 32 -1.728 -3.732 0.000 1.00 0.00 O ATOM 432 CB ASN A 32 -4.200 -1.939 0.782 1.00 0.00 C ATOM 433 CG ASN A 32 -4.657 -2.027 2.239 1.00 0.00 C ATOM 434 OD1 ASN A 32 -3.865 -2.015 3.168 1.00 0.00 O ATOM 435 ND2 ASN A 32 -5.975 -2.117 2.388 1.00 0.00 N ATOM 0 H ASN A 32 -3.087 -1.174 -1.309 1.00 0.00 H new ATOM 0 HA ASN A 32 -2.434 -0.903 1.443 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -4.756 -1.154 0.269 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -4.424 -2.875 0.270 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -6.379 -2.181 3.322 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -6.582 -2.122 1.568 1.00 0.00 H new ATOM 442 N CYS A 33 -1.583 -3.178 2.188 1.00 0.00 N ATOM 443 CA CYS A 33 -0.750 -4.314 2.539 1.00 0.00 C ATOM 444 C CYS A 33 -1.412 -5.056 3.702 1.00 0.00 C ATOM 445 O CYS A 33 -2.578 -4.814 4.014 1.00 0.00 O ATOM 446 CB CYS A 33 0.679 -3.883 2.878 1.00 0.00 C ATOM 447 SG CYS A 33 1.505 -2.883 1.587 1.00 0.00 S ATOM 0 H CYS A 33 -1.846 -2.584 2.974 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.666 -4.984 1.683 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.661 -3.310 3.805 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.278 -4.774 3.066 1.00 0.00 H new ATOM 452 N VAL A 34 -0.642 -5.945 4.311 1.00 0.00 N ATOM 453 CA VAL A 34 -1.185 -6.843 5.315 1.00 0.00 C ATOM 454 C VAL A 34 -0.271 -6.841 6.543 1.00 0.00 C ATOM 455 O VAL A 34 0.722 -6.118 6.580 1.00 0.00 O ATOM 456 CB VAL A 34 -1.382 -8.237 4.719 1.00 0.00 C ATOM 457 CG1 VAL A 34 -2.256 -8.179 3.464 1.00 0.00 C ATOM 458 CG2 VAL A 34 -0.037 -8.901 4.419 1.00 0.00 C ATOM 0 H VAL A 34 0.355 -6.063 4.128 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.168 -6.502 5.641 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.899 -8.847 5.460 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.380 -9.184 3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.232 -7.767 3.719 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.779 -7.544 2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.206 -9.891 3.996 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.518 -8.292 3.706 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.537 -8.994 5.341 1.00 0.00 H new ATOM 468 N ILE A 35 -0.641 -7.659 7.517 1.00 0.00 N ATOM 469 CA ILE A 35 0.138 -7.768 8.738 1.00 0.00 C ATOM 470 C ILE A 35 1.559 -8.218 8.393 1.00 0.00 C ATOM 471 O ILE A 35 1.748 -9.115 7.574 1.00 0.00 O ATOM 472 CB ILE A 35 -0.568 -8.678 9.745 1.00 0.00 C ATOM 473 CG1 ILE A 35 -2.054 -8.334 9.846 1.00 0.00 C ATOM 474 CG2 ILE A 35 0.125 -8.631 11.108 1.00 0.00 C ATOM 475 CD1 ILE A 35 -2.648 -8.844 11.161 1.00 0.00 C ATOM 0 H ILE A 35 -1.470 -8.253 7.485 1.00 0.00 H new ATOM 0 HA ILE A 35 0.220 -6.796 9.225 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.498 -9.704 9.384 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.186 -7.254 9.778 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.591 -8.774 9.006 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.397 -9.287 11.805 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.158 -8.963 11.003 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.109 -7.610 11.489 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.706 -8.586 11.207 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.536 -9.927 11.215 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.125 -8.383 11.999 1.00 0.00 H new ATOM 487 N GLY A 36 2.522 -7.574 9.036 1.00 0.00 N ATOM 488 CA GLY A 36 3.922 -7.838 8.748 1.00 0.00 C ATOM 489 C GLY A 36 4.242 -7.552 7.279 1.00 0.00 C ATOM 490 O GLY A 36 5.022 -8.272 6.659 1.00 0.00 O ATOM 0 H GLY A 36 2.360 -6.870 9.756 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.552 -7.220 9.388 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.155 -8.877 8.979 1.00 0.00 H new ATOM 494 N TYR A 37 3.621 -6.500 6.766 1.00 0.00 N ATOM 495 CA TYR A 37 3.907 -6.049 5.414 1.00 0.00 C ATOM 496 C TYR A 37 3.377 -4.633 5.186 1.00 0.00 C ATOM 497 O TYR A 37 2.168 -4.410 5.190 1.00 0.00 O ATOM 498 CB TYR A 37 3.169 -7.013 4.484 1.00 0.00 C ATOM 499 CG TYR A 37 3.925 -8.315 4.209 1.00 0.00 C ATOM 500 CD1 TYR A 37 5.038 -8.306 3.394 1.00 0.00 C ATOM 501 CD2 TYR A 37 3.494 -9.496 4.776 1.00 0.00 C ATOM 502 CE1 TYR A 37 5.751 -9.531 3.136 1.00 0.00 C ATOM 503 CE2 TYR A 37 4.206 -10.721 4.517 1.00 0.00 C ATOM 504 CZ TYR A 37 5.299 -10.677 3.710 1.00 0.00 C ATOM 505 OH TYR A 37 5.972 -11.834 3.466 1.00 0.00 O ATOM 0 H TYR A 37 2.921 -5.947 7.261 1.00 0.00 H new ATOM 0 HA TYR A 37 4.982 -6.034 5.233 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.200 -7.253 4.921 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.975 -6.510 3.536 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.375 -7.381 2.950 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.623 -9.502 5.414 1.00 0.00 H new ATOM 0 HE1 TYR A 37 6.625 -9.538 2.501 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.879 -11.653 4.954 1.00 0.00 H new ATOM 0 HH TYR A 37 5.537 -12.572 3.942 1.00 0.00 H new ATOM 515 N SER A 38 4.309 -3.711 4.989 1.00 0.00 N ATOM 516 CA SER A 38 3.950 -2.328 4.723 1.00 0.00 C ATOM 517 C SER A 38 5.162 -1.568 4.182 1.00 0.00 C ATOM 518 O SER A 38 6.213 -2.159 3.943 1.00 0.00 O ATOM 519 CB SER A 38 3.413 -1.646 5.982 1.00 0.00 C ATOM 520 OG SER A 38 4.450 -1.349 6.912 1.00 0.00 O ATOM 0 H SER A 38 5.312 -3.895 5.008 1.00 0.00 H new ATOM 0 HA SER A 38 3.159 -2.318 3.973 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.900 -0.725 5.705 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.674 -2.292 6.457 1.00 0.00 H new ATOM 0 HG SER A 38 4.066 -0.913 7.701 1.00 0.00 H new ATOM 526 N GLY A 39 4.974 -0.268 4.006 1.00 0.00 N ATOM 527 CA GLY A 39 6.044 0.581 3.509 1.00 0.00 C ATOM 528 C GLY A 39 5.869 0.865 2.017 1.00 0.00 C ATOM 529 O GLY A 39 6.851 0.972 1.283 1.00 0.00 O ATOM 0 H GLY A 39 4.098 0.218 4.198 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.055 1.520 4.063 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.006 0.098 3.681 1.00 0.00 H new ATOM 533 N ASP A 40 4.614 0.981 1.611 1.00 0.00 N ATOM 534 CA ASP A 40 4.298 1.257 0.220 1.00 0.00 C ATOM 535 C ASP A 40 4.709 0.060 -0.640 1.00 0.00 C ATOM 536 O ASP A 40 5.859 -0.373 -0.597 1.00 0.00 O ATOM 537 CB ASP A 40 5.060 2.484 -0.284 1.00 0.00 C ATOM 538 CG ASP A 40 4.483 3.132 -1.544 1.00 0.00 C ATOM 539 OD1 ASP A 40 4.902 2.825 -2.669 1.00 0.00 O ATOM 540 OD2 ASP A 40 3.552 3.999 -1.334 1.00 0.00 O ATOM 0 H ASP A 40 3.802 0.889 2.222 1.00 0.00 H new ATOM 0 HA ASP A 40 3.226 1.442 0.148 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.084 3.229 0.511 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.092 2.196 -0.482 1.00 0.00 H new ATOM 546 N ARG A 41 3.746 -0.440 -1.399 1.00 0.00 N ATOM 547 CA ARG A 41 4.003 -1.552 -2.299 1.00 0.00 C ATOM 548 C ARG A 41 4.257 -2.832 -1.502 1.00 0.00 C ATOM 549 O ARG A 41 4.589 -3.869 -2.073 1.00 0.00 O ATOM 550 CB ARG A 41 5.213 -1.268 -3.192 1.00 0.00 C ATOM 551 CG ARG A 41 5.383 -2.362 -4.248 1.00 0.00 C ATOM 552 CD ARG A 41 5.983 -1.793 -5.535 1.00 0.00 C ATOM 553 NE ARG A 41 7.320 -1.221 -5.261 1.00 0.00 N ATOM 554 CZ ARG A 41 7.932 -0.316 -6.054 1.00 0.00 C ATOM 555 NH1 ARG A 41 7.328 0.082 -7.158 1.00 0.00 N ATOM 556 NH2 ARG A 41 9.146 0.174 -5.723 1.00 0.00 N ATOM 0 H ARG A 41 2.786 -0.096 -1.410 1.00 0.00 H new ATOM 0 HA ARG A 41 3.122 -1.680 -2.928 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.090 -0.302 -3.681 1.00 0.00 H new ATOM 0 HB3 ARG A 41 6.113 -1.204 -2.581 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.028 -3.150 -3.860 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.417 -2.818 -4.464 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.061 -2.578 -6.287 1.00 0.00 H new ATOM 0 HD3 ARG A 41 5.326 -1.025 -5.943 1.00 0.00 H new ATOM 0 HE ARG A 41 7.809 -1.530 -4.421 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.412 -0.294 -7.402 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.778 0.765 -7.767 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.607 -0.139 -4.869 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.602 0.858 -6.327 1.00 0.00 H new ATOM 569 N CYS A 42 4.089 -2.719 -0.192 1.00 0.00 N ATOM 570 CA CYS A 42 4.293 -3.856 0.690 1.00 0.00 C ATOM 571 C CYS A 42 5.743 -4.321 0.546 1.00 0.00 C ATOM 572 O CYS A 42 6.046 -5.176 -0.285 1.00 0.00 O ATOM 573 CB CYS A 42 3.300 -4.983 0.397 1.00 0.00 C ATOM 574 SG CYS A 42 1.582 -4.433 0.095 1.00 0.00 S ATOM 0 H CYS A 42 3.814 -1.857 0.280 1.00 0.00 H new ATOM 0 HA CYS A 42 4.109 -3.557 1.722 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.648 -5.537 -0.475 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.302 -5.677 1.237 1.00 0.00 H new ATOM 579 N GLN A 43 6.603 -3.738 1.370 1.00 0.00 N ATOM 580 CA GLN A 43 8.030 -3.982 1.258 1.00 0.00 C ATOM 581 C GLN A 43 8.593 -4.462 2.598 1.00 0.00 C ATOM 582 O GLN A 43 9.157 -5.552 2.684 1.00 0.00 O ATOM 583 CB GLN A 43 8.765 -2.732 0.771 1.00 0.00 C ATOM 584 CG GLN A 43 9.139 -2.857 -0.708 1.00 0.00 C ATOM 585 CD GLN A 43 9.106 -1.493 -1.399 1.00 0.00 C ATOM 586 OE1 GLN A 43 8.843 -1.375 -2.584 1.00 0.00 O ATOM 587 NE2 GLN A 43 9.389 -0.472 -0.594 1.00 0.00 N ATOM 0 H GLN A 43 6.338 -3.097 2.118 1.00 0.00 H new ATOM 0 HA GLN A 43 8.187 -4.766 0.517 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.135 -1.855 0.918 1.00 0.00 H new ATOM 0 HB3 GLN A 43 9.666 -2.580 1.366 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.135 -3.291 -0.800 1.00 0.00 H new ATOM 0 HG3 GLN A 43 8.448 -3.537 -1.205 1.00 0.00 H new ATOM 0 HE21 GLN A 43 9.600 -0.641 0.389 1.00 0.00 H new ATOM 0 HE22 GLN A 43 9.394 0.480 -0.960 1.00 0.00 H new ATOM 596 N THR A 44 8.420 -3.624 3.610 1.00 0.00 N ATOM 597 CA THR A 44 8.865 -3.967 4.949 1.00 0.00 C ATOM 598 C THR A 44 8.205 -5.266 5.415 1.00 0.00 C ATOM 599 O THR A 44 7.071 -5.255 5.891 1.00 0.00 O ATOM 600 CB THR A 44 8.572 -2.775 5.864 1.00 0.00 C ATOM 601 OG1 THR A 44 8.930 -1.640 5.080 1.00 0.00 O ATOM 602 CG2 THR A 44 9.519 -2.712 7.064 1.00 0.00 C ATOM 0 H THR A 44 7.978 -2.708 3.529 1.00 0.00 H new ATOM 0 HA THR A 44 9.938 -4.158 4.972 1.00 0.00 H new ATOM 0 HB THR A 44 7.542 -2.832 6.217 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.770 -0.822 5.596 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.268 -1.849 7.680 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.418 -3.622 7.655 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.547 -2.620 6.712 1.00 0.00 H new ATOM 610 N ARG A 45 8.944 -6.355 5.261 1.00 0.00 N ATOM 611 CA ARG A 45 8.432 -7.664 5.628 1.00 0.00 C ATOM 612 C ARG A 45 8.569 -7.884 7.135 1.00 0.00 C ATOM 613 O ARG A 45 9.679 -8.011 7.649 1.00 0.00 O ATOM 614 CB ARG A 45 9.179 -8.775 4.887 1.00 0.00 C ATOM 615 CG ARG A 45 8.371 -10.074 4.890 1.00 0.00 C ATOM 616 CD ARG A 45 9.181 -11.222 5.496 1.00 0.00 C ATOM 617 NE ARG A 45 8.427 -12.490 5.381 1.00 0.00 N ATOM 618 CZ ARG A 45 7.367 -12.813 6.153 1.00 0.00 C ATOM 619 NH1 ARG A 45 6.993 -11.982 7.107 1.00 0.00 N ATOM 620 NH2 ARG A 45 6.701 -13.970 5.952 1.00 0.00 N ATOM 0 H ARG A 45 9.893 -6.357 4.887 1.00 0.00 H new ATOM 0 HA ARG A 45 7.380 -7.699 5.347 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.373 -8.465 3.860 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.148 -8.944 5.358 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.452 -9.933 5.458 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.080 -10.328 3.871 1.00 0.00 H new ATOM 0 HD2 ARG A 45 10.139 -11.312 4.984 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.397 -11.012 6.543 1.00 0.00 H new ATOM 0 HE ARG A 45 8.727 -13.162 4.675 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.502 -11.110 7.253 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.194 -12.211 7.699 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.997 -14.607 5.213 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.901 -14.207 6.539 1.00 0.00 H new ATOM 633 N ASP A 46 7.425 -7.923 7.802 1.00 0.00 N ATOM 634 CA ASP A 46 7.394 -8.247 9.219 1.00 0.00 C ATOM 635 C ASP A 46 7.990 -7.084 10.016 1.00 0.00 C ATOM 636 O ASP A 46 8.307 -6.039 9.452 1.00 0.00 O ATOM 637 CB ASP A 46 8.223 -9.498 9.515 1.00 0.00 C ATOM 638 CG ASP A 46 7.816 -10.258 10.779 1.00 0.00 C ATOM 639 OD1 ASP A 46 8.495 -11.205 11.200 1.00 0.00 O ATOM 640 OD2 ASP A 46 6.739 -9.834 11.347 1.00 0.00 O ATOM 0 H ASP A 46 6.512 -7.736 7.388 1.00 0.00 H new ATOM 0 HA ASP A 46 6.357 -8.426 9.503 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.150 -10.174 8.663 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.270 -9.209 9.604 1.00 0.00 H new ATOM 646 N LEU A 47 8.123 -7.308 11.314 1.00 0.00 N ATOM 647 CA LEU A 47 8.584 -6.260 12.210 1.00 0.00 C ATOM 648 C LEU A 47 7.626 -5.070 12.131 1.00 0.00 C ATOM 649 O LEU A 47 8.030 -3.966 11.769 1.00 0.00 O ATOM 650 CB LEU A 47 10.039 -5.899 11.909 1.00 0.00 C ATOM 651 CG LEU A 47 11.079 -6.970 12.242 1.00 0.00 C ATOM 652 CD1 LEU A 47 10.911 -8.197 11.344 1.00 0.00 C ATOM 653 CD2 LEU A 47 12.497 -6.399 12.172 1.00 0.00 C ATOM 0 H LEU A 47 7.920 -8.199 11.768 1.00 0.00 H new ATOM 0 HA LEU A 47 8.574 -6.610 13.242 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.121 -5.659 10.849 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.290 -4.993 12.462 1.00 0.00 H new ATOM 0 HG LEU A 47 10.914 -7.297 13.268 1.00 0.00 H new ATOM 0 HD11 LEU A 47 11.663 -8.943 11.602 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.917 -8.620 11.488 1.00 0.00 H new ATOM 0 HD13 LEU A 47 11.033 -7.904 10.301 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.217 -7.181 12.413 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.690 -6.026 11.166 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.596 -5.582 12.887 1.00 0.00 H new ATOM 665 N ARG A 48 6.374 -5.335 12.475 1.00 0.00 N ATOM 666 CA ARG A 48 5.346 -4.311 12.401 1.00 0.00 C ATOM 667 C ARG A 48 4.081 -4.777 13.126 1.00 0.00 C ATOM 668 O ARG A 48 3.067 -5.062 12.491 1.00 0.00 O ATOM 669 CB ARG A 48 5.000 -3.981 10.947 1.00 0.00 C ATOM 670 CG ARG A 48 5.350 -2.530 10.617 1.00 0.00 C ATOM 671 CD ARG A 48 4.313 -1.568 11.200 1.00 0.00 C ATOM 672 NE ARG A 48 4.703 -0.170 10.917 1.00 0.00 N ATOM 673 CZ ARG A 48 5.566 0.543 11.672 1.00 0.00 C ATOM 674 NH1 ARG A 48 6.105 -0.024 12.736 1.00 0.00 N ATOM 675 NH2 ARG A 48 5.876 1.815 11.344 1.00 0.00 N ATOM 0 H ARG A 48 6.049 -6.243 12.805 1.00 0.00 H new ATOM 0 HA ARG A 48 5.736 -3.414 12.882 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.542 -4.651 10.279 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.937 -4.151 10.775 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.336 -2.291 11.014 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.402 -2.402 9.536 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.332 -1.774 10.771 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.229 -1.720 12.276 1.00 0.00 H new ATOM 0 HE ARG A 48 4.294 0.284 10.100 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.867 -0.986 12.977 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.759 0.500 13.317 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.457 2.246 10.520 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.529 2.346 11.921 1.00 0.00 H new ATOM 688 N TRP A 49 4.182 -4.839 14.445 1.00 0.00 N ATOM 689 CA TRP A 49 3.033 -5.169 15.270 1.00 0.00 C ATOM 690 C TRP A 49 2.617 -6.606 14.948 1.00 0.00 C ATOM 691 O TRP A 49 2.510 -6.978 13.780 1.00 0.00 O ATOM 692 CB TRP A 49 1.902 -4.159 15.063 1.00 0.00 C ATOM 693 CG TRP A 49 0.602 -4.777 14.545 1.00 0.00 C ATOM 694 CD1 TRP A 49 -0.219 -5.625 15.179 1.00 0.00 C ATOM 695 CD2 TRP A 49 0.003 -4.559 13.250 1.00 0.00 C ATOM 696 NE1 TRP A 49 -1.298 -5.969 14.391 1.00 0.00 N ATOM 697 CE2 TRP A 49 -1.160 -5.300 13.181 1.00 0.00 C ATOM 698 CE3 TRP A 49 0.429 -3.763 12.173 1.00 0.00 C ATOM 699 CZ2 TRP A 49 -1.991 -5.318 12.056 1.00 0.00 C ATOM 700 CZ3 TRP A 49 -0.413 -3.791 11.055 1.00 0.00 C ATOM 701 CH2 TRP A 49 -1.587 -4.531 10.970 1.00 0.00 C ATOM 0 H TRP A 49 5.043 -4.666 14.964 1.00 0.00 H new ATOM 0 HA TRP A 49 3.288 -5.109 16.328 1.00 0.00 H new ATOM 0 HB2 TRP A 49 1.701 -3.655 16.009 1.00 0.00 H new ATOM 0 HB3 TRP A 49 2.235 -3.396 14.360 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -0.057 -5.993 16.181 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -2.058 -6.599 14.649 1.00 0.00 H new ATOM 0 HE3 TRP A 49 1.335 -3.176 12.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -2.896 -5.907 12.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -0.131 -3.196 10.199 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -2.185 -4.499 10.071 1.00 0.00 H new ATOM 712 N TRP A 50 2.393 -7.374 16.004 1.00 0.00 N ATOM 713 CA TRP A 50 1.948 -8.748 15.849 1.00 0.00 C ATOM 714 C TRP A 50 1.331 -9.198 17.174 1.00 0.00 C ATOM 715 O TRP A 50 0.115 -9.351 17.276 1.00 0.00 O ATOM 716 CB TRP A 50 3.097 -9.648 15.389 1.00 0.00 C ATOM 717 CG TRP A 50 3.233 -9.757 13.869 1.00 0.00 C ATOM 718 CD1 TRP A 50 4.100 -9.121 13.070 1.00 0.00 C ATOM 719 CD2 TRP A 50 2.435 -10.581 12.992 1.00 0.00 C ATOM 720 NE1 TRP A 50 3.922 -9.473 11.748 1.00 0.00 N ATOM 721 CE2 TRP A 50 2.877 -10.390 11.699 1.00 0.00 C ATOM 722 CE3 TRP A 50 1.376 -11.459 13.282 1.00 0.00 C ATOM 723 CZ2 TRP A 50 2.318 -11.041 10.593 1.00 0.00 C ATOM 724 CZ3 TRP A 50 0.829 -12.103 12.166 1.00 0.00 C ATOM 725 CH2 TRP A 50 1.262 -11.921 10.859 1.00 0.00 C ATOM 0 H TRP A 50 2.511 -7.071 16.971 1.00 0.00 H new ATOM 0 HA TRP A 50 1.190 -8.822 15.069 1.00 0.00 H new ATOM 0 HB2 TRP A 50 4.031 -9.266 15.800 1.00 0.00 H new ATOM 0 HB3 TRP A 50 2.951 -10.646 15.803 1.00 0.00 H new ATOM 0 HD1 TRP A 50 4.845 -8.420 13.417 1.00 0.00 H new ATOM 0 HE1 TRP A 50 4.458 -9.125 10.953 1.00 0.00 H new ATOM 0 HE3 TRP A 50 1.013 -11.624 14.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 2.681 -10.874 9.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 0.013 -12.790 12.333 1.00 0.00 H new ATOM 0 HH2 TRP A 50 0.786 -12.456 10.051 1.00 0.00 H new ATOM 736 N GLU A 51 2.197 -9.398 18.156 1.00 0.00 N ATOM 737 CA GLU A 51 1.767 -9.930 19.437 1.00 0.00 C ATOM 738 C GLU A 51 2.252 -9.030 20.576 1.00 0.00 C ATOM 739 O GLU A 51 3.231 -8.303 20.423 1.00 0.00 O ATOM 740 CB GLU A 51 2.256 -11.367 19.627 1.00 0.00 C ATOM 741 CG GLU A 51 2.577 -12.019 18.281 1.00 0.00 C ATOM 742 CD GLU A 51 2.813 -13.522 18.443 1.00 0.00 C ATOM 743 OE1 GLU A 51 1.872 -14.316 18.299 1.00 0.00 O ATOM 744 OE2 GLU A 51 4.026 -13.856 18.727 1.00 0.00 O ATOM 0 H GLU A 51 3.196 -9.201 18.090 1.00 0.00 H new ATOM 0 HA GLU A 51 0.677 -9.948 19.453 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.144 -11.372 20.259 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.493 -11.949 20.144 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.755 -11.849 17.585 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.462 -11.553 17.849 1.00 0.00 H new ATOM 752 N LEU A 52 1.544 -9.110 21.693 1.00 0.00 N ATOM 753 CA LEU A 52 1.890 -8.312 22.857 1.00 0.00 C ATOM 754 C LEU A 52 1.465 -9.056 24.125 1.00 0.00 C ATOM 755 O LEU A 52 0.342 -9.548 24.212 1.00 0.00 O ATOM 756 CB LEU A 52 1.296 -6.907 22.740 1.00 0.00 C ATOM 757 CG LEU A 52 1.609 -5.948 23.891 1.00 0.00 C ATOM 758 CD1 LEU A 52 1.967 -4.557 23.363 1.00 0.00 C ATOM 759 CD2 LEU A 52 0.455 -5.900 24.894 1.00 0.00 C ATOM 0 H LEU A 52 0.732 -9.715 21.817 1.00 0.00 H new ATOM 0 HA LEU A 52 2.969 -8.172 22.915 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.653 -6.459 21.813 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.213 -6.998 22.653 1.00 0.00 H new ATOM 0 HG LEU A 52 2.482 -6.326 24.423 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.185 -3.895 24.201 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.843 -4.627 22.718 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.128 -4.157 22.793 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.703 -5.211 25.702 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.450 -5.559 24.391 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.288 -6.896 25.305 1.00 0.00 H new ATOM 771 N ARG A 53 2.386 -9.114 25.075 1.00 0.00 N ATOM 772 CA ARG A 53 2.121 -9.791 26.334 1.00 0.00 C ATOM 773 C ARG A 53 1.311 -8.887 27.263 1.00 0.00 C ATOM 774 O ARG A 53 1.678 -7.735 27.490 1.00 0.00 O ATOM 775 CB ARG A 53 3.425 -10.190 27.028 1.00 0.00 C ATOM 776 CG ARG A 53 4.176 -11.249 26.219 1.00 0.00 C ATOM 777 CD ARG A 53 5.481 -11.644 26.912 1.00 0.00 C ATOM 778 NE ARG A 53 5.188 -12.362 28.174 1.00 0.00 N ATOM 779 CZ ARG A 53 6.083 -12.540 29.168 1.00 0.00 C ATOM 780 NH1 ARG A 53 7.306 -12.067 29.021 1.00 0.00 N ATOM 781 NH2 ARG A 53 5.731 -13.189 30.298 1.00 0.00 N ATOM 782 OXT ARG A 53 0.253 -9.428 27.765 1.00 0.00 O ATOM 0 H ARG A 53 3.317 -8.704 24.999 1.00 0.00 H new ATOM 0 HA ARG A 53 1.550 -10.693 26.113 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.056 -9.311 27.157 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.208 -10.575 28.024 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.546 -12.130 26.093 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.391 -10.865 25.222 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.075 -12.278 26.253 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.076 -10.754 27.120 1.00 0.00 H new ATOM 0 HE ARG A 53 4.251 -12.746 28.299 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.563 -11.575 28.165 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.994 -12.193 29.763 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.783 -13.549 30.405 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.413 -13.320 31.045 1.00 0.00 H new TER 796 ARG A 53