USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=17 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 22 HIS : no HE2:sc= -10.3! C(o=-11!,f=-14!) USER MOD Set 1.2: A 29 TYR OH : rot 180:sc= -0.421 USER MOD Set 2.1: A 21 MET CE :methyl 163:sc= -0.212 (180deg=0) USER MOD Set 2.2: A 32 ASN : amide:sc= -0.36 K(o=-0.57,f=-5.5!) USER MOD Single : A 1 ASN :FLIP amide:sc= 0.243 F(o=-5.4!,f=0.24) USER MOD Single : A 1 ASN N :NH3+ 173:sc= 1.08 (180deg=0.778) USER MOD Single : A 2 SER OG : rot 180:sc= 0.15 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= -0.0482 USER MOD Single : A 10 TYR OH : rot 180:sc= -1.59 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -2.74 X(o=-2.7,f=-2.6!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -52:sc= 0.146 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.469! USER MOD Single : A 37 TYR OH : rot -94:sc= 2.06 USER MOD Single : A 38 SER OG : rot 180:sc= -0.469 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 91:sc= 0.241 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -5.901 -0.253 2.837 1.00 6.55 N ATOM 2 CA ASN A 1 -4.698 0.532 2.462 1.00 4.63 C ATOM 3 C ASN A 1 -3.474 -0.004 3.201 1.00 3.35 C ATOM 4 O ASN A 1 -3.463 -0.080 4.413 1.00 2.90 O ATOM 5 CB ASN A 1 -4.888 2.005 2.850 1.00 6.98 C ATOM 6 CG ASN A 1 -6.171 2.544 2.209 1.00 8.35 C ATOM 7 OD1 ASN A 1 -7.288 1.887 2.367 1.00 9.73 O flip ATOM 8 ND2 ASN A 1 -6.169 3.573 1.564 1.00 8.20 N flip ATOM 0 H1 ASN A 1 -6.747 0.190 2.424 1.00 6.55 H new ATOM 0 H2 ASN A 1 -5.808 -1.224 2.477 1.00 6.55 H new ATOM 0 H3 ASN A 1 -5.992 -0.275 3.873 1.00 6.55 H new ATOM 0 HA ASN A 1 -4.554 0.445 1.385 1.00 4.63 H new ATOM 0 HB2 ASN A 1 -4.943 2.102 3.934 1.00 6.98 H new ATOM 0 HB3 ASN A 1 -4.031 2.592 2.521 1.00 6.98 H new ATOM 0 HD21 ASN A 1 -5.301 4.093 1.436 1.00 8.20 H new ATOM 0 HD22 ASN A 1 -7.036 3.918 1.151 1.00 8.20 H new ATOM 17 N SER A 2 -2.468 -0.368 2.454 1.00 3.20 N ATOM 18 CA SER A 2 -1.238 -0.900 3.102 1.00 2.29 C ATOM 19 C SER A 2 -0.793 0.013 4.241 1.00 1.69 C ATOM 20 O SER A 2 -0.001 -0.380 5.075 1.00 1.79 O ATOM 21 CB SER A 2 -0.119 -0.950 2.057 1.00 3.28 C ATOM 22 OG SER A 2 -0.673 -0.295 0.925 1.00 4.59 O ATOM 0 H SER A 2 -2.444 -0.321 1.435 1.00 3.20 H new ATOM 0 HA SER A 2 -1.448 -1.892 3.501 1.00 2.29 H new ATOM 0 HB2 SER A 2 0.779 -0.444 2.410 1.00 3.28 H new ATOM 0 HB3 SER A 2 0.164 -1.977 1.825 1.00 3.28 H new ATOM 0 HG SER A 2 -0.014 -0.281 0.200 1.00 4.59 H new ATOM 28 N TYR A 3 -1.307 1.214 4.251 1.00 1.48 N ATOM 29 CA TYR A 3 -0.922 2.166 5.330 1.00 0.91 C ATOM 30 C TYR A 3 -0.920 1.454 6.691 1.00 0.51 C ATOM 31 O TYR A 3 -1.549 0.427 6.847 1.00 0.66 O ATOM 32 CB TYR A 3 -1.973 3.287 5.375 1.00 1.24 C ATOM 33 CG TYR A 3 -1.459 4.524 4.629 1.00 1.66 C ATOM 34 CD1 TYR A 3 -0.971 4.416 3.344 1.00 1.97 C ATOM 35 CD2 TYR A 3 -1.521 5.774 5.218 1.00 1.82 C ATOM 36 CE1 TYR A 3 -0.555 5.537 2.656 1.00 2.38 C ATOM 37 CE2 TYR A 3 -1.105 6.894 4.530 1.00 2.25 C ATOM 38 CZ TYR A 3 -0.619 6.785 3.244 1.00 2.51 C ATOM 39 OH TYR A 3 -0.207 7.905 2.552 1.00 2.94 O ATOM 0 H TYR A 3 -1.971 1.574 3.565 1.00 1.48 H new ATOM 0 HA TYR A 3 0.074 2.561 5.128 1.00 0.91 H new ATOM 0 HB2 TYR A 3 -2.903 2.942 4.924 1.00 1.24 H new ATOM 0 HB3 TYR A 3 -2.197 3.544 6.410 1.00 1.24 H new ATOM 0 HD1 TYR A 3 -0.914 3.446 2.872 1.00 1.97 H new ATOM 0 HD2 TYR A 3 -1.898 5.873 6.225 1.00 1.82 H new ATOM 0 HE1 TYR A 3 -0.176 5.438 1.649 1.00 2.38 H new ATOM 0 HE2 TYR A 3 -1.160 7.864 5.002 1.00 2.25 H new ATOM 0 HH TYR A 3 -0.322 8.698 3.116 1.00 2.94 H new ATOM 49 N PRO A 4 -0.211 2.004 7.658 1.00 0.09 N ATOM 50 CA PRO A 4 -0.152 1.396 8.994 1.00 0.46 C ATOM 51 C PRO A 4 -1.554 1.247 9.582 1.00 0.45 C ATOM 52 O PRO A 4 -2.346 2.170 9.547 1.00 0.47 O ATOM 53 CB PRO A 4 0.667 2.383 9.841 1.00 0.80 C ATOM 54 CG PRO A 4 1.080 3.561 8.922 1.00 0.64 C ATOM 55 CD PRO A 4 0.579 3.246 7.508 1.00 0.18 C ATOM 0 HA PRO A 4 0.290 0.400 8.966 1.00 0.46 H new ATOM 0 HB2 PRO A 4 0.078 2.744 10.684 1.00 0.80 H new ATOM 0 HB3 PRO A 4 1.548 1.893 10.254 1.00 0.80 H new ATOM 0 HG2 PRO A 4 0.649 4.496 9.281 1.00 0.64 H new ATOM 0 HG3 PRO A 4 2.163 3.687 8.925 1.00 0.64 H new ATOM 0 HD2 PRO A 4 -0.031 4.059 7.114 1.00 0.18 H new ATOM 0 HD3 PRO A 4 1.409 3.106 6.816 1.00 0.18 H new ATOM 63 N GLY A 5 -1.834 0.093 10.117 1.00 0.53 N ATOM 64 CA GLY A 5 -3.181 -0.129 10.710 1.00 0.70 C ATOM 65 C GLY A 5 -3.105 -1.125 11.863 1.00 0.84 C ATOM 66 O GLY A 5 -2.425 -2.127 11.762 1.00 1.09 O ATOM 0 H GLY A 5 -1.195 -0.700 10.170 1.00 0.53 H new ATOM 0 HA2 GLY A 5 -3.587 0.817 11.067 1.00 0.70 H new ATOM 0 HA3 GLY A 5 -3.863 -0.501 9.946 1.00 0.70 H new ATOM 70 N CYS A 6 -3.802 -0.848 12.939 1.00 0.75 N ATOM 71 CA CYS A 6 -3.739 -1.808 14.071 1.00 0.89 C ATOM 72 C CYS A 6 -4.620 -1.400 15.273 1.00 0.87 C ATOM 73 O CYS A 6 -4.406 -0.347 15.841 1.00 0.63 O ATOM 74 CB CYS A 6 -2.295 -1.834 14.561 1.00 0.87 C ATOM 75 SG CYS A 6 -1.384 -0.272 14.525 1.00 0.70 S ATOM 0 H CYS A 6 -4.391 -0.027 13.076 1.00 0.75 H new ATOM 0 HA CYS A 6 -4.099 -2.770 13.708 1.00 0.89 H new ATOM 0 HB2 CYS A 6 -2.292 -2.203 15.586 1.00 0.87 H new ATOM 0 HB3 CYS A 6 -1.747 -2.559 13.960 1.00 0.87 H new ATOM 80 N PRO A 7 -5.600 -2.217 15.654 1.00 1.15 N ATOM 81 CA PRO A 7 -6.465 -1.879 16.798 1.00 1.17 C ATOM 82 C PRO A 7 -5.652 -1.539 18.034 1.00 1.00 C ATOM 83 O PRO A 7 -4.437 -1.512 17.993 1.00 0.93 O ATOM 84 CB PRO A 7 -7.293 -3.153 17.050 1.00 1.54 C ATOM 85 CG PRO A 7 -6.903 -4.183 15.957 1.00 2.00 C ATOM 86 CD PRO A 7 -5.964 -3.492 14.987 1.00 1.46 C ATOM 0 HA PRO A 7 -7.080 -1.004 16.586 1.00 1.17 H new ATOM 0 HB2 PRO A 7 -7.090 -3.552 18.044 1.00 1.54 H new ATOM 0 HB3 PRO A 7 -8.360 -2.933 17.007 1.00 1.54 H new ATOM 0 HG2 PRO A 7 -6.419 -5.051 16.405 1.00 2.00 H new ATOM 0 HG3 PRO A 7 -7.791 -4.545 15.438 1.00 2.00 H new ATOM 0 HD2 PRO A 7 -5.082 -4.101 14.789 1.00 1.46 H new ATOM 0 HD3 PRO A 7 -6.449 -3.312 14.028 1.00 1.46 H new ATOM 94 N SER A 8 -6.336 -1.285 19.114 1.00 0.96 N ATOM 95 CA SER A 8 -5.608 -0.941 20.352 1.00 0.84 C ATOM 96 C SER A 8 -5.286 -2.183 21.187 1.00 0.95 C ATOM 97 O SER A 8 -4.149 -2.599 21.261 1.00 0.82 O ATOM 98 CB SER A 8 -6.484 -0.001 21.191 1.00 0.84 C ATOM 99 OG SER A 8 -5.760 0.164 22.401 1.00 3.44 O ATOM 0 H SER A 8 -7.353 -1.302 19.187 1.00 0.96 H new ATOM 0 HA SER A 8 -4.668 -0.465 20.072 1.00 0.84 H new ATOM 0 HB2 SER A 8 -6.640 0.953 20.687 1.00 0.84 H new ATOM 0 HB3 SER A 8 -7.469 -0.431 21.372 1.00 0.84 H new ATOM 0 HG SER A 8 -6.256 0.760 23.000 1.00 3.44 H new ATOM 105 N SER A 9 -6.298 -2.739 21.804 1.00 1.58 N ATOM 106 CA SER A 9 -6.089 -3.957 22.647 1.00 2.02 C ATOM 107 C SER A 9 -5.050 -4.902 22.044 1.00 2.02 C ATOM 108 O SER A 9 -4.327 -5.570 22.760 1.00 2.31 O ATOM 109 CB SER A 9 -7.422 -4.708 22.750 1.00 2.75 C ATOM 110 OG SER A 9 -7.752 -5.030 21.407 1.00 2.43 O ATOM 0 H SER A 9 -7.260 -2.403 21.761 1.00 1.58 H new ATOM 0 HA SER A 9 -5.728 -3.635 23.624 1.00 2.02 H new ATOM 0 HB2 SER A 9 -7.326 -5.605 23.361 1.00 2.75 H new ATOM 0 HB3 SER A 9 -8.192 -4.089 23.211 1.00 2.75 H new ATOM 0 HG SER A 9 -8.601 -5.519 21.387 1.00 2.43 H new ATOM 116 N TYR A 10 -4.988 -4.936 20.744 1.00 2.07 N ATOM 117 CA TYR A 10 -4.015 -5.820 20.079 1.00 2.62 C ATOM 118 C TYR A 10 -2.728 -5.024 19.789 1.00 2.26 C ATOM 119 O TYR A 10 -2.049 -5.203 18.802 1.00 2.99 O ATOM 120 CB TYR A 10 -4.734 -6.316 18.810 1.00 3.49 C ATOM 121 CG TYR A 10 -3.810 -6.303 17.620 1.00 1.64 C ATOM 122 CD1 TYR A 10 -3.005 -7.379 17.366 1.00 1.50 C ATOM 123 CD2 TYR A 10 -3.765 -5.212 16.798 1.00 1.25 C ATOM 124 CE1 TYR A 10 -2.149 -7.374 16.291 1.00 0.99 C ATOM 125 CE2 TYR A 10 -2.925 -5.199 15.716 1.00 2.69 C ATOM 126 CZ TYR A 10 -2.098 -6.280 15.452 1.00 2.69 C ATOM 127 OH TYR A 10 -1.234 -6.256 14.377 1.00 4.55 O ATOM 0 H TYR A 10 -5.575 -4.385 20.118 1.00 2.07 H new ATOM 0 HA TYR A 10 -3.702 -6.673 20.681 1.00 2.62 H new ATOM 0 HB2 TYR A 10 -5.108 -7.327 18.972 1.00 3.49 H new ATOM 0 HB3 TYR A 10 -5.599 -5.684 18.609 1.00 3.49 H new ATOM 0 HD1 TYR A 10 -3.042 -8.241 18.016 1.00 1.50 H new ATOM 0 HD2 TYR A 10 -4.393 -4.358 17.002 1.00 1.25 H new ATOM 0 HE1 TYR A 10 -1.515 -8.228 16.103 1.00 0.99 H new ATOM 0 HE2 TYR A 10 -2.907 -4.339 15.063 1.00 2.69 H new ATOM 0 HH TYR A 10 -1.334 -5.408 13.896 1.00 4.55 H new ATOM 137 N ASP A 11 -2.406 -4.150 20.704 1.00 1.35 N ATOM 138 CA ASP A 11 -1.183 -3.327 20.531 1.00 1.38 C ATOM 139 C ASP A 11 0.005 -4.006 21.203 1.00 1.37 C ATOM 140 O ASP A 11 1.025 -4.232 20.580 1.00 2.85 O ATOM 141 CB ASP A 11 -1.419 -1.960 21.187 1.00 1.09 C ATOM 142 CG ASP A 11 -0.079 -1.249 21.370 1.00 1.64 C ATOM 143 OD1 ASP A 11 0.543 -0.994 20.353 1.00 2.42 O ATOM 144 OD2 ASP A 11 0.247 -0.996 22.518 1.00 1.31 O ATOM 0 H ASP A 11 -2.936 -3.973 21.558 1.00 1.35 H new ATOM 0 HA ASP A 11 -0.969 -3.209 19.469 1.00 1.38 H new ATOM 0 HB2 ASP A 11 -2.082 -1.356 20.568 1.00 1.09 H new ATOM 0 HB3 ASP A 11 -1.911 -2.087 22.151 1.00 1.09 H new ATOM 149 N GLY A 12 -0.144 -4.325 22.462 1.00 0.43 N ATOM 150 CA GLY A 12 0.979 -4.994 23.177 1.00 0.29 C ATOM 151 C GLY A 12 1.408 -6.224 22.385 1.00 0.78 C ATOM 152 O GLY A 12 2.484 -6.752 22.578 1.00 1.51 O ATOM 0 H GLY A 12 -0.982 -4.154 23.018 1.00 0.43 H new ATOM 0 HA2 GLY A 12 1.817 -4.306 23.288 1.00 0.29 H new ATOM 0 HA3 GLY A 12 0.668 -5.282 24.181 1.00 0.29 H new ATOM 156 N TYR A 13 0.526 -6.644 21.513 1.00 0.51 N ATOM 157 CA TYR A 13 0.786 -7.827 20.657 1.00 0.97 C ATOM 158 C TYR A 13 2.272 -8.041 20.383 1.00 1.23 C ATOM 159 O TYR A 13 2.842 -9.043 20.766 1.00 1.57 O ATOM 160 CB TYR A 13 0.085 -7.549 19.327 1.00 1.23 C ATOM 161 CG TYR A 13 -0.224 -8.853 18.630 1.00 0.17 C ATOM 162 CD1 TYR A 13 -1.284 -9.609 19.057 1.00 1.69 C ATOM 163 CD2 TYR A 13 0.506 -9.262 17.534 1.00 1.25 C ATOM 164 CE1 TYR A 13 -1.622 -10.770 18.396 1.00 2.61 C ATOM 165 CE2 TYR A 13 0.176 -10.412 16.870 1.00 1.95 C ATOM 166 CZ TYR A 13 -0.894 -11.184 17.292 1.00 2.50 C ATOM 167 OH TYR A 13 -1.238 -12.339 16.620 1.00 3.68 O ATOM 0 H TYR A 13 -0.381 -6.203 21.360 1.00 0.51 H new ATOM 0 HA TYR A 13 0.423 -8.723 21.161 1.00 0.97 H new ATOM 0 HB2 TYR A 13 -0.835 -6.991 19.500 1.00 1.23 H new ATOM 0 HB3 TYR A 13 0.719 -6.929 18.694 1.00 1.23 H new ATOM 0 HD1 TYR A 13 -1.858 -9.293 19.916 1.00 1.69 H new ATOM 0 HD2 TYR A 13 1.344 -8.670 17.197 1.00 1.25 H new ATOM 0 HE1 TYR A 13 -2.458 -11.360 18.740 1.00 2.61 H new ATOM 0 HE2 TYR A 13 0.754 -10.720 16.011 1.00 1.95 H new ATOM 0 HH TYR A 13 -0.622 -12.477 15.871 1.00 3.68 H new ATOM 177 N CYS A 14 2.871 -7.091 19.724 1.00 1.20 N ATOM 178 CA CYS A 14 4.316 -7.220 19.410 1.00 1.48 C ATOM 179 C CYS A 14 5.194 -6.875 20.617 1.00 1.38 C ATOM 180 O CYS A 14 4.784 -6.157 21.507 1.00 0.76 O ATOM 181 CB CYS A 14 4.636 -6.240 18.276 1.00 1.62 C ATOM 182 SG CYS A 14 3.237 -5.417 17.469 1.00 1.72 S ATOM 0 H CYS A 14 2.425 -6.236 19.392 1.00 1.20 H new ATOM 0 HA CYS A 14 4.524 -8.252 19.128 1.00 1.48 H new ATOM 0 HB2 CYS A 14 5.297 -5.470 18.672 1.00 1.62 H new ATOM 0 HB3 CYS A 14 5.196 -6.779 17.512 1.00 1.62 H new ATOM 187 N LEU A 15 6.386 -7.411 20.609 1.00 2.02 N ATOM 188 CA LEU A 15 7.343 -7.156 21.721 1.00 1.97 C ATOM 189 C LEU A 15 8.637 -6.611 21.133 1.00 1.90 C ATOM 190 O LEU A 15 9.658 -6.541 21.785 1.00 1.90 O ATOM 191 CB LEU A 15 7.637 -8.486 22.423 1.00 1.79 C ATOM 192 CG LEU A 15 6.380 -9.362 22.378 1.00 1.86 C ATOM 193 CD1 LEU A 15 6.276 -10.087 21.026 1.00 1.86 C ATOM 194 CD2 LEU A 15 6.460 -10.397 23.500 1.00 1.81 C ATOM 0 H LEU A 15 6.739 -8.020 19.871 1.00 2.02 H new ATOM 0 HA LEU A 15 6.924 -6.441 22.429 1.00 1.97 H new ATOM 0 HB2 LEU A 15 8.468 -8.994 21.934 1.00 1.79 H new ATOM 0 HB3 LEU A 15 7.936 -8.309 23.456 1.00 1.79 H new ATOM 0 HG LEU A 15 5.500 -8.731 22.505 1.00 1.86 H new ATOM 0 HD11 LEU A 15 5.378 -10.704 21.012 1.00 1.86 H new ATOM 0 HD12 LEU A 15 6.224 -9.352 20.222 1.00 1.86 H new ATOM 0 HD13 LEU A 15 7.153 -10.719 20.884 1.00 1.86 H new ATOM 0 HD21 LEU A 15 5.571 -11.027 23.478 1.00 1.81 H new ATOM 0 HD22 LEU A 15 7.346 -11.016 23.361 1.00 1.81 H new ATOM 0 HD23 LEU A 15 6.520 -9.887 24.462 1.00 1.81 H new ATOM 206 N ASN A 16 8.537 -6.244 19.891 1.00 2.14 N ATOM 207 CA ASN A 16 9.696 -5.690 19.155 1.00 2.08 C ATOM 208 C ASN A 16 9.254 -4.414 18.458 1.00 2.10 C ATOM 209 O ASN A 16 8.214 -3.883 18.797 1.00 2.17 O ATOM 210 CB ASN A 16 10.069 -6.728 18.096 1.00 1.95 C ATOM 211 CG ASN A 16 9.027 -7.848 18.115 1.00 2.41 C ATOM 212 OD1 ASN A 16 8.106 -7.871 17.323 1.00 3.24 O ATOM 213 ND2 ASN A 16 9.148 -8.805 19.001 1.00 2.24 N ATOM 0 H ASN A 16 7.679 -6.307 19.344 1.00 2.14 H new ATOM 0 HA ASN A 16 10.535 -5.474 19.816 1.00 2.08 H new ATOM 0 HB2 ASN A 16 10.107 -6.265 17.110 1.00 1.95 H new ATOM 0 HB3 ASN A 16 11.061 -7.132 18.297 1.00 1.95 H new ATOM 0 HD21 ASN A 16 8.470 -9.567 19.025 1.00 2.24 H new ATOM 0 HD22 ASN A 16 9.920 -8.789 19.667 1.00 2.24 H new ATOM 220 N GLY A 17 10.039 -3.914 17.526 1.00 2.09 N ATOM 221 CA GLY A 17 9.596 -2.666 16.837 1.00 2.09 C ATOM 222 C GLY A 17 8.133 -2.898 16.488 1.00 1.79 C ATOM 223 O GLY A 17 7.250 -2.187 16.924 1.00 2.43 O ATOM 0 H GLY A 17 10.933 -4.302 17.225 1.00 2.09 H new ATOM 0 HA2 GLY A 17 9.713 -1.797 17.484 1.00 2.09 H new ATOM 0 HA3 GLY A 17 10.189 -2.479 15.942 1.00 2.09 H new ATOM 227 N GLY A 18 7.925 -3.906 15.693 1.00 0.84 N ATOM 228 CA GLY A 18 6.551 -4.255 15.285 1.00 0.57 C ATOM 229 C GLY A 18 5.901 -3.205 14.415 1.00 0.52 C ATOM 230 O GLY A 18 5.251 -2.297 14.895 1.00 0.88 O ATOM 0 H GLY A 18 8.656 -4.504 15.309 1.00 0.84 H new ATOM 0 HA2 GLY A 18 6.569 -5.203 14.747 1.00 0.57 H new ATOM 0 HA3 GLY A 18 5.942 -4.406 16.176 1.00 0.57 H new ATOM 234 N VAL A 19 6.098 -3.350 13.148 1.00 0.69 N ATOM 235 CA VAL A 19 5.507 -2.399 12.227 1.00 0.75 C ATOM 236 C VAL A 19 4.086 -2.867 11.964 1.00 0.66 C ATOM 237 O VAL A 19 3.827 -3.671 11.095 1.00 0.62 O ATOM 238 CB VAL A 19 6.319 -2.390 10.946 1.00 0.76 C ATOM 239 CG1 VAL A 19 5.753 -1.301 10.038 1.00 0.97 C ATOM 240 CG2 VAL A 19 7.787 -2.097 11.294 1.00 0.82 C ATOM 0 H VAL A 19 6.648 -4.095 12.720 1.00 0.69 H new ATOM 0 HA VAL A 19 5.499 -1.387 12.631 1.00 0.75 H new ATOM 0 HB VAL A 19 6.266 -3.352 10.436 1.00 0.76 H new ATOM 0 HG11 VAL A 19 6.320 -1.272 9.107 1.00 0.97 H new ATOM 0 HG12 VAL A 19 4.707 -1.517 9.820 1.00 0.97 H new ATOM 0 HG13 VAL A 19 5.828 -0.335 10.538 1.00 0.97 H new ATOM 0 HG21 VAL A 19 8.382 -2.088 10.381 1.00 0.82 H new ATOM 0 HG22 VAL A 19 7.858 -1.126 11.784 1.00 0.82 H new ATOM 0 HG23 VAL A 19 8.163 -2.870 11.965 1.00 0.82 H new ATOM 250 N CYS A 20 3.208 -2.340 12.747 1.00 0.68 N ATOM 251 CA CYS A 20 1.768 -2.688 12.644 1.00 0.63 C ATOM 252 C CYS A 20 1.155 -2.476 11.265 1.00 0.60 C ATOM 253 O CYS A 20 1.389 -1.481 10.609 1.00 0.71 O ATOM 254 CB CYS A 20 1.053 -1.820 13.657 1.00 0.65 C ATOM 255 SG CYS A 20 -0.051 -0.531 13.034 1.00 0.65 S ATOM 0 H CYS A 20 3.428 -1.663 13.477 1.00 0.68 H new ATOM 0 HA CYS A 20 1.661 -3.756 12.832 1.00 0.63 H new ATOM 0 HB2 CYS A 20 0.471 -2.474 14.307 1.00 0.65 H new ATOM 0 HB3 CYS A 20 1.808 -1.341 14.280 1.00 0.65 H new ATOM 260 N MET A 21 0.371 -3.451 10.866 1.00 0.55 N ATOM 261 CA MET A 21 -0.303 -3.386 9.539 1.00 0.62 C ATOM 262 C MET A 21 -1.640 -4.116 9.581 1.00 0.78 C ATOM 263 O MET A 21 -1.925 -4.862 10.507 1.00 0.88 O ATOM 264 CB MET A 21 0.538 -4.123 8.490 1.00 0.62 C ATOM 265 CG MET A 21 2.029 -4.004 8.795 1.00 0.54 C ATOM 266 SD MET A 21 3.177 -4.565 7.515 1.00 0.59 S ATOM 267 CE MET A 21 3.041 -6.341 7.838 1.00 1.64 C ATOM 0 H MET A 21 0.171 -4.291 11.409 1.00 0.55 H new ATOM 0 HA MET A 21 -0.433 -2.332 9.293 1.00 0.62 H new ATOM 0 HB2 MET A 21 0.252 -5.175 8.464 1.00 0.62 H new ATOM 0 HB3 MET A 21 0.332 -3.713 7.501 1.00 0.62 H new ATOM 0 HG2 MET A 21 2.248 -2.958 9.012 1.00 0.54 H new ATOM 0 HG3 MET A 21 2.235 -4.568 9.705 1.00 0.54 H new ATOM 0 HE1 MET A 21 3.425 -6.897 6.983 1.00 1.64 H new ATOM 0 HE2 MET A 21 3.620 -6.595 8.726 1.00 1.64 H new ATOM 0 HE3 MET A 21 1.995 -6.602 8.000 1.00 1.64 H new ATOM 277 N HIS A 22 -2.408 -3.910 8.543 1.00 0.88 N ATOM 278 CA HIS A 22 -3.741 -4.559 8.448 1.00 1.05 C ATOM 279 C HIS A 22 -3.880 -5.264 7.100 1.00 0.79 C ATOM 280 O HIS A 22 -4.938 -5.744 6.748 1.00 0.42 O ATOM 281 CB HIS A 22 -4.813 -3.469 8.549 1.00 1.29 C ATOM 282 CG HIS A 22 -6.195 -4.099 8.366 1.00 2.09 C ATOM 283 ND1 HIS A 22 -6.579 -5.184 8.899 1.00 2.74 N ATOM 284 CD2 HIS A 22 -7.272 -3.671 7.615 1.00 2.84 C ATOM 285 CE1 HIS A 22 -7.778 -5.459 8.550 1.00 3.31 C ATOM 286 NE2 HIS A 22 -8.284 -4.545 7.736 1.00 3.48 N ATOM 0 H HIS A 22 -2.163 -3.314 7.752 1.00 0.88 H new ATOM 0 HA HIS A 22 -3.854 -5.290 9.249 1.00 1.05 H new ATOM 0 HB2 HIS A 22 -4.753 -2.972 9.517 1.00 1.29 H new ATOM 0 HB3 HIS A 22 -4.645 -2.706 7.789 1.00 1.29 H new ATOM 0 HD1 HIS A 22 -6.010 -5.758 9.521 1.00 2.74 H new ATOM 0 HD2 HIS A 22 -7.297 -2.770 7.020 1.00 2.84 H new ATOM 0 HE1 HIS A 22 -8.316 -6.335 8.881 1.00 3.31 H new ATOM 294 N ILE A 23 -2.794 -5.311 6.375 1.00 1.22 N ATOM 295 CA ILE A 23 -2.816 -5.974 5.045 1.00 1.01 C ATOM 296 C ILE A 23 -3.969 -5.447 4.193 1.00 0.61 C ATOM 297 O ILE A 23 -3.798 -4.526 3.420 1.00 2.24 O ATOM 298 CB ILE A 23 -2.988 -7.487 5.240 1.00 1.08 C ATOM 299 CG1 ILE A 23 -1.778 -8.058 5.990 1.00 1.72 C ATOM 300 CG2 ILE A 23 -3.048 -8.154 3.852 1.00 0.98 C ATOM 301 CD1 ILE A 23 -1.812 -7.639 7.469 1.00 0.90 C ATOM 0 H ILE A 23 -1.894 -4.918 6.649 1.00 1.22 H new ATOM 0 HA ILE A 23 -1.877 -5.760 4.534 1.00 1.01 H new ATOM 0 HB ILE A 23 -3.898 -7.678 5.809 1.00 1.08 H new ATOM 0 HG12 ILE A 23 -1.776 -9.145 5.914 1.00 1.72 H new ATOM 0 HG13 ILE A 23 -0.856 -7.705 5.527 1.00 1.72 H new ATOM 0 HG21 ILE A 23 -3.170 -9.231 3.971 1.00 0.98 H new ATOM 0 HG22 ILE A 23 -3.892 -7.753 3.292 1.00 0.98 H new ATOM 0 HG23 ILE A 23 -2.124 -7.951 3.311 1.00 0.98 H new ATOM 0 HD11 ILE A 23 -0.946 -8.054 7.985 1.00 0.90 H new ATOM 0 HD12 ILE A 23 -1.790 -6.552 7.540 1.00 0.90 H new ATOM 0 HD13 ILE A 23 -2.724 -8.015 7.933 1.00 0.90 H new ATOM 313 N GLU A 24 -5.123 -6.039 4.350 1.00 2.05 N ATOM 314 CA GLU A 24 -6.288 -5.581 3.551 1.00 1.75 C ATOM 315 C GLU A 24 -7.598 -5.770 4.315 1.00 2.43 C ATOM 316 O GLU A 24 -7.752 -5.294 5.422 1.00 3.17 O ATOM 317 CB GLU A 24 -6.348 -6.422 2.271 1.00 2.57 C ATOM 318 CG GLU A 24 -7.353 -5.792 1.304 1.00 2.54 C ATOM 319 CD GLU A 24 -6.608 -5.275 0.071 1.00 2.25 C ATOM 320 OE1 GLU A 24 -6.348 -6.100 -0.787 1.00 2.07 O ATOM 321 OE2 GLU A 24 -6.337 -4.084 0.061 1.00 2.53 O ATOM 0 H GLU A 24 -5.305 -6.811 4.991 1.00 2.05 H new ATOM 0 HA GLU A 24 -6.167 -4.520 3.332 1.00 1.75 H new ATOM 0 HB2 GLU A 24 -5.362 -6.473 1.808 1.00 2.57 H new ATOM 0 HB3 GLU A 24 -6.643 -7.445 2.506 1.00 2.57 H new ATOM 0 HG2 GLU A 24 -8.102 -6.527 1.009 1.00 2.54 H new ATOM 0 HG3 GLU A 24 -7.883 -4.975 1.793 1.00 2.54 H new ATOM 328 N SER A 25 -8.517 -6.466 3.697 1.00 2.67 N ATOM 329 CA SER A 25 -9.830 -6.709 4.353 1.00 3.60 C ATOM 330 C SER A 25 -9.763 -7.896 5.308 1.00 2.71 C ATOM 331 O SER A 25 -10.564 -8.016 6.217 1.00 3.45 O ATOM 332 CB SER A 25 -10.853 -7.024 3.254 1.00 4.69 C ATOM 333 OG SER A 25 -11.997 -7.476 3.962 1.00 6.98 O ATOM 0 H SER A 25 -8.413 -6.875 2.768 1.00 2.67 H new ATOM 0 HA SER A 25 -10.110 -5.825 4.925 1.00 3.60 H new ATOM 0 HB2 SER A 25 -11.078 -6.142 2.655 1.00 4.69 H new ATOM 0 HB3 SER A 25 -10.481 -7.787 2.570 1.00 4.69 H new ATOM 0 HG SER A 25 -12.708 -7.700 3.326 1.00 6.98 H new ATOM 339 N LEU A 26 -8.811 -8.755 5.084 1.00 1.59 N ATOM 340 CA LEU A 26 -8.676 -9.939 5.967 1.00 1.61 C ATOM 341 C LEU A 26 -8.210 -9.543 7.362 1.00 1.82 C ATOM 342 O LEU A 26 -7.906 -8.395 7.622 1.00 2.00 O ATOM 343 CB LEU A 26 -7.630 -10.876 5.357 1.00 2.04 C ATOM 344 CG LEU A 26 -8.078 -11.276 3.949 1.00 2.96 C ATOM 345 CD1 LEU A 26 -6.977 -12.106 3.286 1.00 4.29 C ATOM 346 CD2 LEU A 26 -9.364 -12.106 4.034 1.00 1.91 C ATOM 0 H LEU A 26 -8.125 -8.688 4.332 1.00 1.59 H new ATOM 0 HA LEU A 26 -9.649 -10.423 6.051 1.00 1.61 H new ATOM 0 HB2 LEU A 26 -6.660 -10.381 5.317 1.00 2.04 H new ATOM 0 HB3 LEU A 26 -7.510 -11.763 5.980 1.00 2.04 H new ATOM 0 HG LEU A 26 -8.267 -10.380 3.358 1.00 2.96 H new ATOM 0 HD11 LEU A 26 -7.292 -12.393 2.283 1.00 4.29 H new ATOM 0 HD12 LEU A 26 -6.063 -11.515 3.224 1.00 4.29 H new ATOM 0 HD13 LEU A 26 -6.790 -13.002 3.878 1.00 4.29 H new ATOM 0 HD21 LEU A 26 -9.681 -12.390 3.030 1.00 1.91 H new ATOM 0 HD22 LEU A 26 -9.179 -13.004 4.623 1.00 1.91 H new ATOM 0 HD23 LEU A 26 -10.148 -11.515 4.509 1.00 1.91 H new ATOM 358 N ASP A 27 -8.161 -10.511 8.230 1.00 2.41 N ATOM 359 CA ASP A 27 -7.720 -10.238 9.620 1.00 2.67 C ATOM 360 C ASP A 27 -6.190 -10.178 9.675 1.00 2.45 C ATOM 361 O ASP A 27 -5.597 -9.148 9.418 1.00 2.44 O ATOM 362 CB ASP A 27 -8.238 -11.392 10.495 1.00 2.98 C ATOM 363 CG ASP A 27 -7.492 -11.428 11.829 1.00 4.81 C ATOM 364 OD1 ASP A 27 -7.256 -10.354 12.344 1.00 4.48 O ATOM 365 OD2 ASP A 27 -7.206 -12.533 12.258 1.00 6.83 O ATOM 0 H ASP A 27 -8.408 -11.481 8.035 1.00 2.41 H new ATOM 0 HA ASP A 27 -8.109 -9.283 9.974 1.00 2.67 H new ATOM 0 HB2 ASP A 27 -9.307 -11.271 10.672 1.00 2.98 H new ATOM 0 HB3 ASP A 27 -8.107 -12.340 9.973 1.00 2.98 H new ATOM 370 N SER A 28 -5.587 -11.284 9.993 1.00 2.39 N ATOM 371 CA SER A 28 -4.098 -11.338 10.076 1.00 2.18 C ATOM 372 C SER A 28 -3.467 -10.056 10.631 1.00 1.76 C ATOM 373 O SER A 28 -2.316 -9.785 10.350 1.00 1.48 O ATOM 374 CB SER A 28 -3.548 -11.567 8.661 1.00 2.39 C ATOM 375 OG SER A 28 -2.315 -12.241 8.874 1.00 2.35 O ATOM 0 H SER A 28 -6.062 -12.162 10.201 1.00 2.39 H new ATOM 0 HA SER A 28 -3.844 -12.145 10.763 1.00 2.18 H new ATOM 0 HB2 SER A 28 -4.231 -12.167 8.060 1.00 2.39 H new ATOM 0 HB3 SER A 28 -3.401 -10.625 8.133 1.00 2.39 H new ATOM 0 HG SER A 28 -1.771 -11.733 9.512 1.00 2.35 H new ATOM 381 N TYR A 29 -4.205 -9.280 11.391 1.00 1.73 N ATOM 382 CA TYR A 29 -3.588 -8.032 11.939 1.00 1.38 C ATOM 383 C TYR A 29 -2.222 -8.396 12.522 1.00 1.23 C ATOM 384 O TYR A 29 -2.129 -9.308 13.318 1.00 1.36 O ATOM 385 CB TYR A 29 -4.476 -7.497 13.075 1.00 1.41 C ATOM 386 CG TYR A 29 -5.620 -6.651 12.515 1.00 1.37 C ATOM 387 CD1 TYR A 29 -5.389 -5.374 12.044 1.00 1.40 C ATOM 388 CD2 TYR A 29 -6.904 -7.151 12.482 1.00 1.33 C ATOM 389 CE1 TYR A 29 -6.432 -4.615 11.544 1.00 1.40 C ATOM 390 CE2 TYR A 29 -7.941 -6.397 11.985 1.00 1.32 C ATOM 391 CZ TYR A 29 -7.717 -5.123 11.511 1.00 1.35 C ATOM 392 OH TYR A 29 -8.758 -4.376 11.002 1.00 1.36 O ATOM 0 H TYR A 29 -5.177 -9.449 11.649 1.00 1.73 H new ATOM 0 HA TYR A 29 -3.488 -7.280 11.156 1.00 1.38 H new ATOM 0 HB2 TYR A 29 -4.881 -8.330 13.650 1.00 1.41 H new ATOM 0 HB3 TYR A 29 -3.876 -6.898 13.761 1.00 1.41 H new ATOM 0 HD1 TYR A 29 -4.389 -4.966 12.066 1.00 1.40 H new ATOM 0 HD2 TYR A 29 -7.098 -8.147 12.851 1.00 1.33 H new ATOM 0 HE1 TYR A 29 -6.241 -3.618 11.177 1.00 1.40 H new ATOM 0 HE2 TYR A 29 -8.940 -6.807 11.966 1.00 1.32 H new ATOM 0 HH TYR A 29 -9.589 -4.892 11.058 1.00 1.36 H new ATOM 402 N THR A 30 -1.177 -7.708 12.137 1.00 1.04 N ATOM 403 CA THR A 30 0.146 -8.095 12.721 1.00 1.00 C ATOM 404 C THR A 30 1.165 -6.963 12.669 1.00 0.78 C ATOM 405 O THR A 30 0.875 -5.869 12.224 1.00 0.58 O ATOM 406 CB THR A 30 0.690 -9.256 11.878 1.00 1.06 C ATOM 407 OG1 THR A 30 1.962 -9.559 12.422 1.00 1.39 O ATOM 408 CG2 THR A 30 0.984 -8.794 10.441 1.00 0.62 C ATOM 0 H THR A 30 -1.175 -6.931 11.476 1.00 1.04 H new ATOM 0 HA THR A 30 -0.004 -8.358 13.768 1.00 1.00 H new ATOM 0 HB THR A 30 -0.026 -10.078 11.879 1.00 1.06 H new ATOM 0 HG1 THR A 30 2.363 -10.301 11.923 1.00 1.39 H new ATOM 0 HG21 THR A 30 1.369 -9.633 9.861 1.00 0.62 H new ATOM 0 HG22 THR A 30 0.066 -8.426 9.982 1.00 0.62 H new ATOM 0 HG23 THR A 30 1.726 -7.995 10.460 1.00 0.62 H new ATOM 416 N CYS A 31 2.347 -7.276 13.128 1.00 0.90 N ATOM 417 CA CYS A 31 3.447 -6.281 13.141 1.00 0.78 C ATOM 418 C CYS A 31 4.627 -6.804 12.314 1.00 0.80 C ATOM 419 O CYS A 31 5.318 -7.711 12.739 1.00 0.95 O ATOM 420 CB CYS A 31 3.905 -6.108 14.598 1.00 0.91 C ATOM 421 SG CYS A 31 2.763 -6.614 15.908 1.00 1.22 S ATOM 0 H CYS A 31 2.596 -8.193 13.499 1.00 0.90 H new ATOM 0 HA CYS A 31 3.104 -5.335 12.721 1.00 0.78 H new ATOM 0 HB2 CYS A 31 4.831 -6.668 14.727 1.00 0.91 H new ATOM 0 HB3 CYS A 31 4.145 -5.056 14.751 1.00 0.91 H new ATOM 426 N ASN A 32 4.827 -6.254 11.138 1.00 0.69 N ATOM 427 CA ASN A 32 5.969 -6.736 10.304 1.00 0.74 C ATOM 428 C ASN A 32 7.202 -6.899 11.184 1.00 0.79 C ATOM 429 O ASN A 32 7.589 -5.983 11.885 1.00 0.67 O ATOM 430 CB ASN A 32 6.251 -5.710 9.197 1.00 0.66 C ATOM 431 CG ASN A 32 6.418 -6.422 7.852 1.00 0.69 C ATOM 432 OD1 ASN A 32 5.813 -7.442 7.588 1.00 1.59 O ATOM 433 ND2 ASN A 32 7.225 -5.908 6.968 1.00 1.98 N ATOM 0 H ASN A 32 4.262 -5.510 10.729 1.00 0.69 H new ATOM 0 HA ASN A 32 5.721 -7.697 9.853 1.00 0.74 H new ATOM 0 HB2 ASN A 32 5.433 -4.992 9.138 1.00 0.66 H new ATOM 0 HB3 ASN A 32 7.153 -5.146 9.434 1.00 0.66 H new ATOM 0 HD21 ASN A 32 7.345 -6.362 6.062 1.00 1.98 H new ATOM 0 HD22 ASN A 32 7.737 -5.052 7.181 1.00 1.98 H new ATOM 440 N CYS A 33 7.800 -8.057 11.127 1.00 0.95 N ATOM 441 CA CYS A 33 9.004 -8.300 11.964 1.00 1.00 C ATOM 442 C CYS A 33 10.250 -7.564 11.490 1.00 1.10 C ATOM 443 O CYS A 33 10.149 -6.625 10.726 1.00 1.32 O ATOM 444 CB CYS A 33 9.242 -9.803 12.012 1.00 0.83 C ATOM 445 SG CYS A 33 8.575 -10.639 13.454 1.00 0.74 S ATOM 0 H CYS A 33 7.508 -8.839 10.541 1.00 0.95 H new ATOM 0 HA CYS A 33 8.810 -7.898 12.959 1.00 1.00 H new ATOM 0 HB2 CYS A 33 8.808 -10.252 11.119 1.00 0.83 H new ATOM 0 HB3 CYS A 33 10.316 -9.986 11.971 1.00 0.83 H new ATOM 450 N VAL A 34 11.415 -7.994 11.949 1.00 0.95 N ATOM 451 CA VAL A 34 12.635 -7.277 11.502 1.00 1.07 C ATOM 452 C VAL A 34 13.835 -8.184 11.310 1.00 0.93 C ATOM 453 O VAL A 34 13.763 -9.396 11.416 1.00 0.76 O ATOM 454 CB VAL A 34 12.992 -6.210 12.550 1.00 1.16 C ATOM 455 CG1 VAL A 34 12.874 -4.824 11.911 1.00 1.58 C ATOM 456 CG2 VAL A 34 12.033 -6.296 13.742 1.00 1.12 C ATOM 0 H VAL A 34 11.558 -8.778 12.586 1.00 0.95 H new ATOM 0 HA VAL A 34 12.407 -6.838 10.531 1.00 1.07 H new ATOM 0 HB VAL A 34 14.010 -6.379 12.900 1.00 1.16 H new ATOM 0 HG11 VAL A 34 13.126 -4.061 12.648 1.00 1.58 H new ATOM 0 HG12 VAL A 34 13.560 -4.753 11.067 1.00 1.58 H new ATOM 0 HG13 VAL A 34 11.853 -4.670 11.563 1.00 1.58 H new ATOM 0 HG21 VAL A 34 12.297 -5.535 14.477 1.00 1.12 H new ATOM 0 HG22 VAL A 34 11.011 -6.131 13.400 1.00 1.12 H new ATOM 0 HG23 VAL A 34 12.108 -7.283 14.199 1.00 1.12 H new ATOM 466 N ILE A 35 14.936 -7.532 11.101 1.00 1.05 N ATOM 467 CA ILE A 35 16.194 -8.230 10.886 1.00 1.06 C ATOM 468 C ILE A 35 16.744 -8.658 12.222 1.00 0.75 C ATOM 469 O ILE A 35 17.278 -7.853 12.960 1.00 0.64 O ATOM 470 CB ILE A 35 17.156 -7.232 10.237 1.00 1.38 C ATOM 471 CG1 ILE A 35 16.800 -6.981 8.759 1.00 1.72 C ATOM 472 CG2 ILE A 35 18.571 -7.788 10.351 1.00 1.47 C ATOM 473 CD1 ILE A 35 16.781 -8.286 7.947 1.00 1.71 C ATOM 0 H ILE A 35 15.003 -6.515 11.072 1.00 1.05 H new ATOM 0 HA ILE A 35 16.061 -9.108 10.254 1.00 1.06 H new ATOM 0 HB ILE A 35 17.079 -6.275 10.753 1.00 1.38 H new ATOM 0 HG12 ILE A 35 15.824 -6.500 8.697 1.00 1.72 H new ATOM 0 HG13 ILE A 35 17.523 -6.292 8.323 1.00 1.72 H new ATOM 0 HG21 ILE A 35 19.274 -7.091 9.894 1.00 1.47 H new ATOM 0 HG22 ILE A 35 18.825 -7.923 11.402 1.00 1.47 H new ATOM 0 HG23 ILE A 35 18.627 -8.748 9.838 1.00 1.47 H new ATOM 0 HD11 ILE A 35 16.526 -8.066 6.910 1.00 1.71 H new ATOM 0 HD12 ILE A 35 17.765 -8.754 7.987 1.00 1.71 H new ATOM 0 HD13 ILE A 35 16.039 -8.965 8.367 1.00 1.71 H new ATOM 485 N GLY A 36 16.572 -9.908 12.515 1.00 0.66 N ATOM 486 CA GLY A 36 17.077 -10.425 13.805 1.00 0.53 C ATOM 487 C GLY A 36 16.052 -11.285 14.479 1.00 0.43 C ATOM 488 O GLY A 36 16.383 -12.108 15.309 1.00 0.60 O ATOM 0 H GLY A 36 16.105 -10.592 11.920 1.00 0.66 H new ATOM 0 HA2 GLY A 36 17.987 -11.001 13.638 1.00 0.53 H new ATOM 0 HA3 GLY A 36 17.342 -9.592 14.456 1.00 0.53 H new ATOM 492 N TYR A 37 14.827 -11.088 14.126 1.00 0.31 N ATOM 493 CA TYR A 37 13.808 -11.909 14.769 1.00 0.23 C ATOM 494 C TYR A 37 12.545 -12.126 13.966 1.00 0.23 C ATOM 495 O TYR A 37 12.097 -11.258 13.199 1.00 0.38 O ATOM 496 CB TYR A 37 13.537 -11.385 16.121 1.00 0.27 C ATOM 497 CG TYR A 37 13.380 -9.894 16.277 1.00 0.20 C ATOM 498 CD1 TYR A 37 13.841 -8.947 15.375 1.00 0.37 C ATOM 499 CD2 TYR A 37 13.047 -9.510 17.528 1.00 0.31 C ATOM 500 CE1 TYR A 37 14.000 -7.650 15.768 1.00 0.55 C ATOM 501 CE2 TYR A 37 13.204 -8.245 17.945 1.00 0.52 C ATOM 502 CZ TYR A 37 13.682 -7.270 17.073 1.00 0.62 C ATOM 503 OH TYR A 37 13.832 -5.961 17.487 1.00 0.87 O ATOM 0 H TYR A 37 14.499 -10.411 13.437 1.00 0.31 H new ATOM 0 HA TYR A 37 14.223 -12.914 14.841 1.00 0.23 H new ATOM 0 HB2 TYR A 37 12.626 -11.858 16.487 1.00 0.27 H new ATOM 0 HB3 TYR A 37 14.348 -11.707 16.774 1.00 0.27 H new ATOM 0 HD1 TYR A 37 14.074 -9.236 14.361 1.00 0.37 H new ATOM 0 HD2 TYR A 37 12.643 -10.242 18.212 1.00 0.31 H new ATOM 0 HE1 TYR A 37 14.372 -6.916 15.068 1.00 0.55 H new ATOM 0 HE2 TYR A 37 12.958 -7.981 18.963 1.00 0.52 H new ATOM 0 HH TYR A 37 14.712 -5.848 17.903 1.00 0.87 H new ATOM 513 N SER A 38 11.969 -13.288 14.228 1.00 0.21 N ATOM 514 CA SER A 38 10.715 -13.677 13.516 1.00 0.23 C ATOM 515 C SER A 38 9.845 -14.662 14.313 1.00 0.26 C ATOM 516 O SER A 38 10.022 -14.849 15.504 1.00 0.52 O ATOM 517 CB SER A 38 11.126 -14.354 12.199 1.00 0.57 C ATOM 518 OG SER A 38 11.792 -13.333 11.472 1.00 0.65 O ATOM 0 H SER A 38 12.317 -13.972 14.900 1.00 0.21 H new ATOM 0 HA SER A 38 10.121 -12.776 13.364 1.00 0.23 H new ATOM 0 HB2 SER A 38 11.781 -15.207 12.378 1.00 0.57 H new ATOM 0 HB3 SER A 38 10.258 -14.727 11.656 1.00 0.57 H new ATOM 0 HG SER A 38 12.091 -13.688 10.609 1.00 0.65 H new ATOM 524 N GLY A 39 8.930 -15.292 13.616 1.00 0.24 N ATOM 525 CA GLY A 39 8.020 -16.270 14.283 1.00 0.41 C ATOM 526 C GLY A 39 6.736 -15.521 14.631 1.00 0.58 C ATOM 527 O GLY A 39 6.664 -14.899 15.666 1.00 2.19 O ATOM 0 H GLY A 39 8.776 -15.170 12.615 1.00 0.24 H new ATOM 0 HA2 GLY A 39 7.809 -17.112 13.623 1.00 0.41 H new ATOM 0 HA3 GLY A 39 8.484 -16.678 15.181 1.00 0.41 H new ATOM 531 N ASP A 40 5.754 -15.608 13.760 1.00 1.70 N ATOM 532 CA ASP A 40 4.464 -14.898 14.010 1.00 1.79 C ATOM 533 C ASP A 40 4.791 -13.405 14.057 1.00 1.76 C ATOM 534 O ASP A 40 4.489 -12.678 13.130 1.00 2.44 O ATOM 535 CB ASP A 40 3.819 -15.375 15.325 1.00 1.89 C ATOM 536 CG ASP A 40 3.624 -16.893 15.273 1.00 1.86 C ATOM 537 OD1 ASP A 40 2.681 -17.292 14.607 1.00 1.81 O ATOM 538 OD2 ASP A 40 4.420 -17.568 15.905 1.00 2.00 O ATOM 0 H ASP A 40 5.794 -16.140 12.890 1.00 1.70 H new ATOM 0 HA ASP A 40 3.740 -15.108 13.222 1.00 1.79 H new ATOM 0 HB2 ASP A 40 4.451 -15.107 16.171 1.00 1.89 H new ATOM 0 HB3 ASP A 40 2.860 -14.879 15.474 1.00 1.89 H new ATOM 543 N ARG A 41 5.396 -12.966 15.129 1.00 1.30 N ATOM 544 CA ARG A 41 5.750 -11.527 15.217 1.00 1.23 C ATOM 545 C ARG A 41 7.053 -11.342 16.017 1.00 1.04 C ATOM 546 O ARG A 41 7.102 -10.602 16.979 1.00 1.13 O ATOM 547 CB ARG A 41 4.595 -10.691 15.821 1.00 1.59 C ATOM 548 CG ARG A 41 4.200 -11.168 17.219 1.00 1.89 C ATOM 549 CD ARG A 41 3.208 -12.321 17.126 1.00 2.17 C ATOM 550 NE ARG A 41 3.560 -13.336 18.156 1.00 2.07 N ATOM 551 CZ ARG A 41 2.734 -14.318 18.396 1.00 2.23 C ATOM 552 NH1 ARG A 41 1.803 -14.587 17.521 1.00 1.98 N ATOM 553 NH2 ARG A 41 2.865 -14.998 19.504 1.00 3.08 N ATOM 0 H ARG A 41 5.656 -13.535 15.935 1.00 1.30 H new ATOM 0 HA ARG A 41 5.915 -11.159 14.204 1.00 1.23 H new ATOM 0 HB2 ARG A 41 4.894 -9.644 15.868 1.00 1.59 H new ATOM 0 HB3 ARG A 41 3.728 -10.745 15.163 1.00 1.59 H new ATOM 0 HG2 ARG A 41 5.087 -11.487 17.766 1.00 1.89 H new ATOM 0 HG3 ARG A 41 3.759 -10.344 17.780 1.00 1.89 H new ATOM 0 HD2 ARG A 41 2.192 -11.959 17.283 1.00 2.17 H new ATOM 0 HD3 ARG A 41 3.237 -12.766 16.131 1.00 2.17 H new ATOM 0 HE ARG A 41 4.438 -13.265 18.670 1.00 2.07 H new ATOM 0 HH11 ARG A 41 1.730 -14.034 16.667 1.00 1.98 H new ATOM 0 HH12 ARG A 41 1.148 -15.351 17.691 1.00 1.98 H new ATOM 0 HH21 ARG A 41 3.604 -14.758 20.165 1.00 3.08 H new ATOM 0 HH22 ARG A 41 2.228 -15.768 19.708 1.00 3.08 H new ATOM 567 N CYS A 42 8.093 -12.034 15.581 1.00 0.79 N ATOM 568 CA CYS A 42 9.417 -11.934 16.268 1.00 0.62 C ATOM 569 C CYS A 42 9.308 -12.356 17.711 1.00 0.81 C ATOM 570 O CYS A 42 10.177 -12.068 18.499 1.00 0.75 O ATOM 571 CB CYS A 42 9.931 -10.511 16.155 1.00 0.53 C ATOM 572 SG CYS A 42 9.046 -9.430 15.017 1.00 0.78 S ATOM 0 H CYS A 42 8.073 -12.662 14.777 1.00 0.79 H new ATOM 0 HA CYS A 42 10.124 -12.609 15.785 1.00 0.62 H new ATOM 0 HB2 CYS A 42 9.906 -10.058 17.146 1.00 0.53 H new ATOM 0 HB3 CYS A 42 10.976 -10.548 15.848 1.00 0.53 H new ATOM 577 N GLN A 43 8.236 -13.045 18.041 1.00 1.04 N ATOM 578 CA GLN A 43 8.091 -13.489 19.447 1.00 1.26 C ATOM 579 C GLN A 43 9.408 -14.152 19.796 1.00 1.24 C ATOM 580 O GLN A 43 9.813 -14.232 20.939 1.00 1.40 O ATOM 581 CB GLN A 43 6.946 -14.520 19.538 1.00 1.44 C ATOM 582 CG GLN A 43 7.231 -15.529 20.659 1.00 1.61 C ATOM 583 CD GLN A 43 5.956 -16.323 20.954 1.00 1.74 C ATOM 584 OE1 GLN A 43 5.164 -15.958 21.800 1.00 2.28 O ATOM 585 NE2 GLN A 43 5.724 -17.413 20.276 1.00 1.27 N ATOM 0 H GLN A 43 7.480 -13.308 17.409 1.00 1.04 H new ATOM 0 HA GLN A 43 7.861 -12.665 20.122 1.00 1.26 H new ATOM 0 HB2 GLN A 43 6.002 -14.010 19.729 1.00 1.44 H new ATOM 0 HB3 GLN A 43 6.840 -15.042 18.587 1.00 1.44 H new ATOM 0 HG2 GLN A 43 8.034 -16.204 20.362 1.00 1.61 H new ATOM 0 HG3 GLN A 43 7.566 -15.009 21.556 1.00 1.61 H new ATOM 0 HE21 GLN A 43 6.387 -17.722 19.565 1.00 1.27 H new ATOM 0 HE22 GLN A 43 4.880 -17.956 20.457 1.00 1.27 H new ATOM 594 N THR A 44 10.043 -14.619 18.751 1.00 1.07 N ATOM 595 CA THR A 44 11.340 -15.285 18.893 1.00 1.12 C ATOM 596 C THR A 44 12.422 -14.247 18.604 1.00 0.84 C ATOM 597 O THR A 44 12.875 -14.095 17.467 1.00 0.75 O ATOM 598 CB THR A 44 11.420 -16.425 17.866 1.00 1.17 C ATOM 599 OG1 THR A 44 10.083 -16.865 17.689 1.00 1.42 O ATOM 600 CG2 THR A 44 12.145 -17.639 18.454 1.00 1.83 C ATOM 0 H THR A 44 9.697 -14.558 17.793 1.00 1.07 H new ATOM 0 HA THR A 44 11.471 -15.696 19.894 1.00 1.12 H new ATOM 0 HB THR A 44 11.926 -16.075 16.966 1.00 1.17 H new ATOM 0 HG1 THR A 44 9.668 -16.364 16.956 1.00 1.42 H new ATOM 0 HG21 THR A 44 12.189 -18.433 17.708 1.00 1.83 H new ATOM 0 HG22 THR A 44 13.157 -17.354 18.741 1.00 1.83 H new ATOM 0 HG23 THR A 44 11.605 -17.995 19.332 1.00 1.83 H new ATOM 608 N ARG A 45 12.749 -13.496 19.633 1.00 0.71 N ATOM 609 CA ARG A 45 13.792 -12.451 19.483 1.00 0.39 C ATOM 610 C ARG A 45 15.139 -13.076 19.719 1.00 0.39 C ATOM 611 O ARG A 45 15.291 -13.871 20.626 1.00 0.58 O ATOM 612 CB ARG A 45 13.602 -11.334 20.539 1.00 0.42 C ATOM 613 CG ARG A 45 12.120 -11.136 20.872 1.00 2.47 C ATOM 614 CD ARG A 45 11.947 -9.895 21.752 1.00 1.98 C ATOM 615 NE ARG A 45 13.235 -9.568 22.424 1.00 1.24 N ATOM 616 CZ ARG A 45 13.285 -9.529 23.727 1.00 0.36 C ATOM 617 NH1 ARG A 45 12.856 -8.460 24.346 1.00 0.64 N ATOM 618 NH2 ARG A 45 13.751 -10.564 24.370 1.00 0.51 N ATOM 0 H ARG A 45 12.335 -13.568 20.563 1.00 0.71 H new ATOM 0 HA ARG A 45 13.717 -12.026 18.482 1.00 0.39 H new ATOM 0 HB2 ARG A 45 14.151 -11.589 21.446 1.00 0.42 H new ATOM 0 HB3 ARG A 45 14.022 -10.400 20.165 1.00 0.42 H new ATOM 0 HG2 ARG A 45 11.543 -11.025 19.954 1.00 2.47 H new ATOM 0 HG3 ARG A 45 11.733 -12.015 21.387 1.00 2.47 H new ATOM 0 HD2 ARG A 45 11.619 -9.051 21.145 1.00 1.98 H new ATOM 0 HD3 ARG A 45 11.172 -10.072 22.498 1.00 1.98 H new ATOM 0 HE ARG A 45 14.070 -9.376 21.871 1.00 1.24 H new ATOM 0 HH11 ARG A 45 12.489 -7.673 23.810 1.00 0.64 H new ATOM 0 HH12 ARG A 45 12.888 -8.413 25.364 1.00 0.64 H new ATOM 0 HH21 ARG A 45 14.068 -11.385 23.854 1.00 0.51 H new ATOM 0 HH22 ARG A 45 13.798 -10.553 25.389 1.00 0.51 H new ATOM 632 N ASP A 46 16.093 -12.757 18.894 1.00 0.34 N ATOM 633 CA ASP A 46 17.416 -13.369 19.132 1.00 0.58 C ATOM 634 C ASP A 46 18.113 -12.683 20.321 1.00 0.84 C ATOM 635 O ASP A 46 19.304 -12.444 20.332 1.00 1.18 O ATOM 636 CB ASP A 46 18.266 -13.293 17.853 1.00 0.56 C ATOM 637 CG ASP A 46 18.442 -14.703 17.287 1.00 0.58 C ATOM 638 OD1 ASP A 46 19.312 -15.386 17.800 1.00 0.74 O ATOM 639 OD2 ASP A 46 17.700 -15.014 16.372 1.00 0.43 O ATOM 0 H ASP A 46 16.018 -12.125 18.097 1.00 0.34 H new ATOM 0 HA ASP A 46 17.289 -14.421 19.387 1.00 0.58 H new ATOM 0 HB2 ASP A 46 17.783 -12.650 17.118 1.00 0.56 H new ATOM 0 HB3 ASP A 46 19.238 -12.852 18.073 1.00 0.56 H new ATOM 644 N LEU A 47 17.305 -12.414 21.308 1.00 0.76 N ATOM 645 CA LEU A 47 17.756 -11.754 22.561 1.00 1.05 C ATOM 646 C LEU A 47 18.565 -10.482 22.383 1.00 1.25 C ATOM 647 O LEU A 47 19.721 -10.493 22.014 1.00 2.45 O ATOM 648 CB LEU A 47 18.588 -12.753 23.367 1.00 1.32 C ATOM 649 CG LEU A 47 17.645 -13.686 24.124 1.00 1.29 C ATOM 650 CD1 LEU A 47 18.338 -15.032 24.324 1.00 1.82 C ATOM 651 CD2 LEU A 47 17.320 -13.069 25.483 1.00 1.18 C ATOM 0 H LEU A 47 16.309 -12.635 21.294 1.00 0.76 H new ATOM 0 HA LEU A 47 16.843 -11.448 23.072 1.00 1.05 H new ATOM 0 HB2 LEU A 47 19.234 -13.328 22.703 1.00 1.32 H new ATOM 0 HB3 LEU A 47 19.237 -12.226 24.066 1.00 1.32 H new ATOM 0 HG LEU A 47 16.723 -13.829 23.560 1.00 1.29 H new ATOM 0 HD11 LEU A 47 17.674 -15.707 24.864 1.00 1.82 H new ATOM 0 HD12 LEU A 47 18.582 -15.463 23.353 1.00 1.82 H new ATOM 0 HD13 LEU A 47 19.253 -14.888 24.898 1.00 1.82 H new ATOM 0 HD21 LEU A 47 16.647 -13.729 26.031 1.00 1.18 H new ATOM 0 HD22 LEU A 47 18.240 -12.936 26.052 1.00 1.18 H new ATOM 0 HD23 LEU A 47 16.841 -12.101 25.338 1.00 1.18 H new ATOM 663 N ARG A 48 17.887 -9.435 22.742 1.00 1.66 N ATOM 664 CA ARG A 48 18.396 -8.043 22.691 1.00 1.89 C ATOM 665 C ARG A 48 19.514 -7.733 21.681 1.00 1.88 C ATOM 666 O ARG A 48 20.118 -6.683 21.774 1.00 2.91 O ATOM 667 CB ARG A 48 18.908 -7.710 24.101 1.00 2.11 C ATOM 668 CG ARG A 48 17.772 -7.096 24.938 1.00 2.11 C ATOM 669 CD ARG A 48 16.647 -8.118 25.123 1.00 2.11 C ATOM 670 NE ARG A 48 16.229 -8.113 26.557 1.00 2.21 N ATOM 671 CZ ARG A 48 15.154 -7.468 26.925 1.00 2.04 C ATOM 672 NH1 ARG A 48 14.619 -6.596 26.110 1.00 1.79 N ATOM 673 NH2 ARG A 48 14.648 -7.714 28.103 1.00 3.17 N ATOM 0 H ARG A 48 16.932 -9.497 23.094 1.00 1.66 H new ATOM 0 HA ARG A 48 17.559 -7.436 22.346 1.00 1.89 H new ATOM 0 HB2 ARG A 48 19.281 -8.613 24.585 1.00 2.11 H new ATOM 0 HB3 ARG A 48 19.744 -7.013 24.039 1.00 2.11 H new ATOM 0 HG2 ARG A 48 18.154 -6.783 25.910 1.00 2.11 H new ATOM 0 HG3 ARG A 48 17.387 -6.204 24.444 1.00 2.11 H new ATOM 0 HD2 ARG A 48 15.801 -7.870 24.482 1.00 2.11 H new ATOM 0 HD3 ARG A 48 16.987 -9.112 24.832 1.00 2.11 H new ATOM 0 HE ARG A 48 16.784 -8.614 27.251 1.00 2.21 H new ATOM 0 HH11 ARG A 48 15.041 -6.425 25.197 1.00 1.79 H new ATOM 0 HH12 ARG A 48 13.780 -6.087 26.387 1.00 1.79 H new ATOM 0 HH21 ARG A 48 15.091 -8.398 28.716 1.00 3.17 H new ATOM 0 HH22 ARG A 48 13.809 -7.222 28.411 1.00 3.17 H new ATOM 687 N TRP A 49 19.794 -8.583 20.733 1.00 1.95 N ATOM 688 CA TRP A 49 20.887 -8.199 19.797 1.00 1.72 C ATOM 689 C TRP A 49 20.533 -6.845 19.197 1.00 2.12 C ATOM 690 O TRP A 49 21.166 -5.846 19.471 1.00 2.93 O ATOM 691 CB TRP A 49 21.092 -9.318 18.737 1.00 1.05 C ATOM 692 CG TRP A 49 20.148 -9.270 17.509 1.00 1.00 C ATOM 693 CD1 TRP A 49 19.193 -10.210 17.248 1.00 0.83 C ATOM 694 CD2 TRP A 49 20.401 -8.583 16.380 1.00 1.14 C ATOM 695 NE1 TRP A 49 18.966 -10.065 15.948 1.00 0.70 N ATOM 696 CE2 TRP A 49 19.665 -9.091 15.332 1.00 0.84 C ATOM 697 CE3 TRP A 49 21.231 -7.504 16.156 1.00 1.64 C ATOM 698 CZ2 TRP A 49 19.783 -8.550 14.066 1.00 0.95 C ATOM 699 CZ3 TRP A 49 21.346 -6.958 14.894 1.00 1.82 C ATOM 700 CH2 TRP A 49 20.621 -7.482 13.849 1.00 1.46 C ATOM 0 H TRP A 49 19.341 -9.482 20.569 1.00 1.95 H new ATOM 0 HA TRP A 49 21.844 -8.098 20.310 1.00 1.72 H new ATOM 0 HB2 TRP A 49 22.121 -9.270 18.381 1.00 1.05 H new ATOM 0 HB3 TRP A 49 20.969 -10.283 19.228 1.00 1.05 H new ATOM 0 HD1 TRP A 49 18.733 -10.905 17.935 1.00 0.83 H new ATOM 0 HE1 TRP A 49 18.303 -10.655 15.446 1.00 0.70 H new ATOM 0 HE3 TRP A 49 21.795 -7.083 16.975 1.00 1.64 H new ATOM 0 HZ2 TRP A 49 19.216 -8.967 13.246 1.00 0.95 H new ATOM 0 HZ3 TRP A 49 22.005 -6.119 14.727 1.00 1.82 H new ATOM 0 HH2 TRP A 49 20.710 -7.056 12.861 1.00 1.46 H new ATOM 711 N TRP A 50 19.537 -6.859 18.397 1.00 1.64 N ATOM 712 CA TRP A 50 19.052 -5.639 17.741 1.00 1.92 C ATOM 713 C TRP A 50 19.050 -4.490 18.722 1.00 2.19 C ATOM 714 O TRP A 50 19.195 -3.334 18.378 1.00 2.12 O ATOM 715 CB TRP A 50 17.598 -5.966 17.423 1.00 2.18 C ATOM 716 CG TRP A 50 16.951 -6.679 18.663 1.00 2.10 C ATOM 717 CD1 TRP A 50 17.230 -7.949 19.046 1.00 2.64 C ATOM 718 CD2 TRP A 50 16.057 -6.156 19.535 1.00 2.36 C ATOM 719 NE1 TRP A 50 16.496 -8.149 20.113 1.00 2.53 N ATOM 720 CE2 TRP A 50 15.759 -7.120 20.491 1.00 2.08 C ATOM 721 CE3 TRP A 50 15.468 -4.909 19.675 1.00 3.38 C ATOM 722 CZ2 TRP A 50 14.931 -6.891 21.538 1.00 2.21 C ATOM 723 CZ3 TRP A 50 14.616 -4.659 20.748 1.00 3.84 C ATOM 724 CH2 TRP A 50 14.349 -5.656 21.680 1.00 3.08 C ATOM 0 H TRP A 50 19.013 -7.701 18.157 1.00 1.64 H new ATOM 0 HA TRP A 50 19.659 -5.362 16.879 1.00 1.92 H new ATOM 0 HB2 TRP A 50 17.050 -5.054 17.185 1.00 2.18 H new ATOM 0 HB3 TRP A 50 17.540 -6.610 16.546 1.00 2.18 H new ATOM 0 HD1 TRP A 50 17.909 -8.644 18.575 1.00 2.64 H new ATOM 0 HE1 TRP A 50 16.494 -9.036 20.616 1.00 2.53 H new ATOM 0 HE3 TRP A 50 15.670 -4.132 18.953 1.00 3.38 H new ATOM 0 HZ2 TRP A 50 14.730 -7.673 22.255 1.00 2.21 H new ATOM 0 HZ3 TRP A 50 14.160 -3.686 20.857 1.00 3.84 H new ATOM 0 HH2 TRP A 50 13.687 -5.460 22.511 1.00 3.08 H new ATOM 735 N GLU A 51 18.874 -4.875 19.935 1.00 3.19 N ATOM 736 CA GLU A 51 18.832 -3.922 21.050 1.00 3.92 C ATOM 737 C GLU A 51 20.224 -3.635 21.618 1.00 3.46 C ATOM 738 O GLU A 51 21.135 -4.425 21.462 1.00 3.15 O ATOM 739 CB GLU A 51 17.980 -4.641 22.085 1.00 5.34 C ATOM 740 CG GLU A 51 16.963 -3.682 22.718 1.00 6.55 C ATOM 741 CD GLU A 51 17.689 -2.717 23.655 1.00 6.77 C ATOM 742 OE1 GLU A 51 17.993 -3.153 24.754 1.00 8.18 O ATOM 743 OE2 GLU A 51 17.894 -1.596 23.224 1.00 5.78 O ATOM 0 H GLU A 51 18.753 -5.850 20.210 1.00 3.19 H new ATOM 0 HA GLU A 51 18.439 -2.951 20.747 1.00 3.92 H new ATOM 0 HB2 GLU A 51 17.457 -5.474 21.616 1.00 5.34 H new ATOM 0 HB3 GLU A 51 18.620 -5.062 22.860 1.00 5.34 H new ATOM 0 HG2 GLU A 51 16.439 -3.126 21.941 1.00 6.55 H new ATOM 0 HG3 GLU A 51 16.211 -4.245 23.270 1.00 6.55 H new ATOM 750 N LEU A 52 20.357 -2.504 22.267 1.00 3.80 N ATOM 751 CA LEU A 52 21.676 -2.133 22.858 1.00 4.08 C ATOM 752 C LEU A 52 21.495 -1.567 24.266 1.00 5.24 C ATOM 753 O LEU A 52 22.456 -1.344 24.974 1.00 7.01 O ATOM 754 CB LEU A 52 22.306 -1.041 21.971 1.00 3.60 C ATOM 755 CG LEU A 52 23.836 -1.182 21.945 1.00 3.54 C ATOM 756 CD1 LEU A 52 24.256 -1.834 20.626 1.00 3.99 C ATOM 757 CD2 LEU A 52 24.468 0.206 22.027 1.00 4.12 C ATOM 0 H LEU A 52 19.610 -1.825 22.412 1.00 3.80 H new ATOM 0 HA LEU A 52 22.309 -3.019 22.912 1.00 4.08 H new ATOM 0 HB2 LEU A 52 21.911 -1.115 20.958 1.00 3.60 H new ATOM 0 HB3 LEU A 52 22.032 -0.056 22.348 1.00 3.60 H new ATOM 0 HG LEU A 52 24.163 -1.793 22.787 1.00 3.54 H new ATOM 0 HD11 LEU A 52 25.341 -1.937 20.600 1.00 3.99 H new ATOM 0 HD12 LEU A 52 23.796 -2.819 20.544 1.00 3.99 H new ATOM 0 HD13 LEU A 52 23.931 -1.211 19.793 1.00 3.99 H new ATOM 0 HD21 LEU A 52 25.554 0.113 22.009 1.00 4.12 H new ATOM 0 HD22 LEU A 52 24.141 0.805 21.177 1.00 4.12 H new ATOM 0 HD23 LEU A 52 24.161 0.692 22.953 1.00 4.12 H new ATOM 769 N ARG A 53 20.262 -1.344 24.638 1.00 4.40 N ATOM 770 CA ARG A 53 19.984 -0.793 25.994 1.00 5.53 C ATOM 771 C ARG A 53 19.480 -1.888 26.931 1.00 7.02 C ATOM 772 O ARG A 53 19.025 -1.520 28.001 1.00 7.71 O ATOM 773 CB ARG A 53 18.901 0.291 25.863 1.00 3.81 C ATOM 774 CG ARG A 53 19.538 1.666 26.103 1.00 5.65 C ATOM 775 CD ARG A 53 18.562 2.766 25.678 1.00 4.86 C ATOM 776 NE ARG A 53 18.585 3.854 26.699 1.00 4.34 N ATOM 777 CZ ARG A 53 18.960 5.054 26.348 1.00 4.27 C ATOM 778 NH1 ARG A 53 20.227 5.278 26.130 1.00 4.51 N ATOM 779 NH2 ARG A 53 18.058 5.991 26.228 1.00 4.02 N ATOM 780 OXT ARG A 53 19.585 -3.034 26.526 1.00 7.69 O ATOM 0 H ARG A 53 19.438 -1.519 24.062 1.00 4.40 H new ATOM 0 HA ARG A 53 20.903 -0.379 26.408 1.00 5.53 H new ATOM 0 HB2 ARG A 53 18.449 0.253 24.872 1.00 3.81 H new ATOM 0 HB3 ARG A 53 18.103 0.115 26.584 1.00 3.81 H new ATOM 0 HG2 ARG A 53 19.794 1.780 27.156 1.00 5.65 H new ATOM 0 HG3 ARG A 53 20.466 1.751 25.538 1.00 5.65 H new ATOM 0 HD2 ARG A 53 18.841 3.160 24.701 1.00 4.86 H new ATOM 0 HD3 ARG A 53 17.555 2.360 25.582 1.00 4.86 H new ATOM 0 HE ARG A 53 18.310 3.662 27.662 1.00 4.34 H new ATOM 0 HH11 ARG A 53 20.904 4.522 26.235 1.00 4.51 H new ATOM 0 HH12 ARG A 53 20.540 6.209 25.855 1.00 4.51 H new ATOM 0 HH21 ARG A 53 17.076 5.780 26.408 1.00 4.02 H new ATOM 0 HH22 ARG A 53 18.335 6.934 25.955 1.00 4.02 H new TER 794 ARG A 53