USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 520 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 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.0022 X(o=-0.0022,f=-0.00062) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 1.51 K(o=1.5,f=-0.75) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0678 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0144 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -131:sc= -0.7 (180deg=-1.03) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 90:sc= 1.28 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 48 CYS SG : rot 60:sc= 0.122 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.0467 X(o=-0.047,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.0244 X(o=-0.024,f=-0.024) USER MOD Single : A 60 ASN : amide:sc= 0.902 K(o=0.9,f=-2.7) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 174:sc= 1.3 (180deg=1.15) USER MOD ----------------------------------------------------------------- ATOM 59 N TYR A 5 12.386 1.472 0.380 1.00 25.00 N ATOM 60 CA TYR A 5 13.458 0.516 0.547 1.00 25.00 C ATOM 61 C TYR A 5 13.156 -0.712 -0.297 1.00 25.00 C ATOM 62 O TYR A 5 12.104 -0.782 -0.921 1.00 25.00 O ATOM 63 CB TYR A 5 13.513 0.135 2.021 1.00 25.00 C ATOM 64 CG TYR A 5 14.215 1.168 2.860 1.00 25.00 C ATOM 65 CD1 TYR A 5 15.608 1.361 2.750 1.00 25.00 C ATOM 66 CD2 TYR A 5 13.495 1.967 3.764 1.00 25.00 C ATOM 67 CE1 TYR A 5 16.268 2.329 3.537 1.00 25.00 C ATOM 68 CE2 TYR A 5 14.150 2.943 4.545 1.00 25.00 C ATOM 69 CZ TYR A 5 15.536 3.111 4.428 1.00 25.00 C ATOM 70 OH TYR A 5 16.181 4.051 5.192 1.00 25.00 O ATOM 0 HA TYR A 5 14.414 0.935 0.233 1.00 25.00 H new ATOM 0 HB2 TYR A 5 12.498 -0.003 2.395 1.00 25.00 H new ATOM 0 HB3 TYR A 5 14.024 -0.822 2.126 1.00 25.00 H new ATOM 0 HD1 TYR A 5 16.176 0.761 2.055 1.00 25.00 H new ATOM 0 HD2 TYR A 5 12.428 1.833 3.862 1.00 25.00 H new ATOM 0 HE1 TYR A 5 17.336 2.463 3.449 1.00 25.00 H new ATOM 0 HE2 TYR A 5 13.585 3.558 5.230 1.00 25.00 H new ATOM 0 HH TYR A 5 15.530 4.513 5.761 1.00 25.00 H new ATOM 80 N LEU A 6 14.056 -1.686 -0.276 1.00 25.00 N ATOM 81 CA LEU A 6 13.854 -2.949 -0.986 1.00 25.00 C ATOM 82 C LEU A 6 12.646 -3.674 -0.394 1.00 25.00 C ATOM 83 O LEU A 6 11.848 -4.257 -1.119 1.00 25.00 O ATOM 84 CB LEU A 6 15.098 -3.844 -0.850 1.00 25.00 C ATOM 85 CG LEU A 6 16.452 -3.307 -1.330 1.00 25.00 C ATOM 86 CD1 LEU A 6 17.552 -4.326 -0.996 1.00 25.00 C ATOM 87 CD2 LEU A 6 16.460 -3.019 -2.823 1.00 25.00 C ATOM 0 H LEU A 6 14.941 -1.628 0.228 1.00 25.00 H new ATOM 0 HA LEU A 6 13.683 -2.737 -2.041 1.00 25.00 H new ATOM 0 HB2 LEU A 6 15.202 -4.107 0.203 1.00 25.00 H new ATOM 0 HB3 LEU A 6 14.899 -4.769 -1.391 1.00 25.00 H new ATOM 0 HG LEU A 6 16.637 -2.365 -0.814 1.00 25.00 H new ATOM 0 HD11 LEU A 6 18.515 -3.946 -1.336 1.00 25.00 H new ATOM 0 HD12 LEU A 6 17.585 -4.485 0.082 1.00 25.00 H new ATOM 0 HD13 LEU A 6 17.337 -5.270 -1.496 1.00 25.00 H new ATOM 0 HD21 LEU A 6 17.440 -2.641 -3.115 1.00 25.00 H new ATOM 0 HD22 LEU A 6 16.247 -3.936 -3.372 1.00 25.00 H new ATOM 0 HD23 LEU A 6 15.700 -2.273 -3.054 1.00 25.00 H new ATOM 99 N ASN A 7 12.528 -3.608 0.929 1.00 25.00 N ATOM 100 CA ASN A 7 11.403 -4.196 1.684 1.00 25.00 C ATOM 101 C ASN A 7 11.151 -5.678 1.344 1.00 25.00 C ATOM 102 O ASN A 7 10.029 -6.072 1.036 1.00 25.00 O ATOM 103 CB ASN A 7 10.123 -3.360 1.466 1.00 25.00 C ATOM 104 CG ASN A 7 10.198 -1.995 2.114 1.00 25.00 C ATOM 105 OD1 ASN A 7 10.149 -0.962 1.455 1.00 25.00 O ATOM 106 ND2 ASN A 7 10.291 -1.983 3.418 1.00 25.00 N ATOM 0 H ASN A 7 13.214 -3.141 1.523 1.00 25.00 H new ATOM 0 HA ASN A 7 11.681 -4.169 2.738 1.00 25.00 H new ATOM 0 HB2 ASN A 7 9.950 -3.241 0.396 1.00 25.00 H new ATOM 0 HB3 ASN A 7 9.267 -3.902 1.869 1.00 25.00 H new ATOM 0 HD21 ASN A 7 10.325 -1.095 3.919 1.00 25.00 H new ATOM 0 HD22 ASN A 7 10.330 -2.862 3.935 1.00 25.00 H new ATOM 113 N VAL A 8 12.193 -6.497 1.434 1.00 25.00 N ATOM 114 CA VAL A 8 12.098 -7.932 1.127 1.00 25.00 C ATOM 115 C VAL A 8 12.226 -8.704 2.437 1.00 25.00 C ATOM 116 O VAL A 8 12.705 -8.163 3.414 1.00 25.00 O ATOM 117 CB VAL A 8 13.200 -8.373 0.079 1.00 25.00 C ATOM 118 CG1 VAL A 8 13.760 -7.166 -0.671 1.00 25.00 C ATOM 119 CG2 VAL A 8 14.362 -9.125 0.723 1.00 25.00 C ATOM 0 H VAL A 8 13.124 -6.194 1.719 1.00 25.00 H new ATOM 0 HA VAL A 8 11.135 -8.150 0.665 1.00 25.00 H new ATOM 0 HB VAL A 8 12.695 -9.046 -0.614 1.00 25.00 H new ATOM 0 HG11 VAL A 8 14.515 -7.499 -1.384 1.00 25.00 H new ATOM 0 HG12 VAL A 8 12.954 -6.663 -1.204 1.00 25.00 H new ATOM 0 HG13 VAL A 8 14.212 -6.474 0.039 1.00 25.00 H new ATOM 0 HG21 VAL A 8 15.086 -9.402 -0.044 1.00 25.00 H new ATOM 0 HG22 VAL A 8 14.844 -8.486 1.463 1.00 25.00 H new ATOM 0 HG23 VAL A 8 13.987 -10.025 1.210 1.00 25.00 H new ATOM 129 N LEU A 9 11.822 -9.963 2.467 1.00 25.00 N ATOM 130 CA LEU A 9 11.973 -10.777 3.677 1.00 25.00 C ATOM 131 C LEU A 9 13.245 -11.620 3.597 1.00 25.00 C ATOM 132 O LEU A 9 13.597 -12.112 2.527 1.00 25.00 O ATOM 133 CB LEU A 9 10.768 -11.703 3.846 1.00 25.00 C ATOM 134 CG LEU A 9 9.395 -11.022 3.983 1.00 25.00 C ATOM 135 CD1 LEU A 9 8.313 -12.095 4.089 1.00 25.00 C ATOM 136 CD2 LEU A 9 9.335 -10.101 5.206 1.00 25.00 C ATOM 0 H LEU A 9 11.390 -10.446 1.679 1.00 25.00 H new ATOM 0 HA LEU A 9 12.038 -10.105 4.533 1.00 25.00 H new ATOM 0 HB2 LEU A 9 10.732 -12.376 2.989 1.00 25.00 H new ATOM 0 HB3 LEU A 9 10.933 -12.320 4.729 1.00 25.00 H new ATOM 0 HG LEU A 9 9.231 -10.405 3.100 1.00 25.00 H new ATOM 0 HD11 LEU A 9 7.337 -11.619 4.186 1.00 25.00 H new ATOM 0 HD12 LEU A 9 8.327 -12.715 3.193 1.00 25.00 H new ATOM 0 HD13 LEU A 9 8.502 -12.717 4.964 1.00 25.00 H new ATOM 0 HD21 LEU A 9 8.349 -9.640 5.266 1.00 25.00 H new ATOM 0 HD22 LEU A 9 9.519 -10.683 6.109 1.00 25.00 H new ATOM 0 HD23 LEU A 9 10.094 -9.324 5.114 1.00 25.00 H new ATOM 148 N ALA A 10 13.911 -11.823 4.725 1.00 25.00 N ATOM 149 CA ALA A 10 15.090 -12.686 4.776 1.00 25.00 C ATOM 150 C ALA A 10 15.061 -13.545 6.045 1.00 25.00 C ATOM 151 O ALA A 10 14.616 -13.081 7.091 1.00 25.00 O ATOM 152 CB ALA A 10 16.351 -11.840 4.733 1.00 25.00 C ATOM 0 H ALA A 10 13.657 -11.403 5.619 1.00 25.00 H new ATOM 0 HA ALA A 10 15.085 -13.349 3.911 1.00 25.00 H new ATOM 0 HB1 ALA A 10 17.226 -12.489 4.771 1.00 25.00 H new ATOM 0 HB2 ALA A 10 16.369 -11.261 3.810 1.00 25.00 H new ATOM 0 HB3 ALA A 10 16.364 -11.163 5.587 1.00 25.00 H new ATOM 158 N LYS A 11 15.533 -14.784 5.942 1.00 25.00 N ATOM 159 CA LYS A 11 15.578 -15.715 7.077 1.00 25.00 C ATOM 160 C LYS A 11 16.993 -15.888 7.607 1.00 25.00 C ATOM 161 O LYS A 11 17.938 -16.053 6.834 1.00 25.00 O ATOM 162 CB LYS A 11 15.042 -17.088 6.665 1.00 25.00 C ATOM 163 CG LYS A 11 15.110 -18.139 7.787 1.00 25.00 C ATOM 164 CD LYS A 11 14.287 -19.394 7.502 1.00 25.00 C ATOM 165 CE LYS A 11 12.789 -19.123 7.673 1.00 25.00 C ATOM 166 NZ LYS A 11 11.950 -20.359 7.608 1.00 25.00 N ATOM 0 H LYS A 11 15.896 -15.175 5.073 1.00 25.00 H new ATOM 0 HA LYS A 11 14.955 -15.288 7.863 1.00 25.00 H new ATOM 0 HB2 LYS A 11 14.007 -16.982 6.340 1.00 25.00 H new ATOM 0 HB3 LYS A 11 15.610 -17.448 5.807 1.00 25.00 H new ATOM 0 HG2 LYS A 11 16.150 -18.425 7.943 1.00 25.00 H new ATOM 0 HG3 LYS A 11 14.760 -17.689 8.716 1.00 25.00 H new ATOM 0 HD2 LYS A 11 14.484 -19.739 6.487 1.00 25.00 H new ATOM 0 HD3 LYS A 11 14.594 -20.194 8.175 1.00 25.00 H new ATOM 0 HE2 LYS A 11 12.624 -18.631 8.631 1.00 25.00 H new ATOM 0 HE3 LYS A 11 12.462 -18.430 6.898 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 10.949 -20.106 7.731 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 12.080 -20.819 6.684 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 12.237 -21.013 8.364 1.00 25.00 H new ATOM 180 N ALA A 12 17.119 -15.901 8.925 1.00 25.00 N ATOM 181 CA ALA A 12 18.391 -16.118 9.598 1.00 25.00 C ATOM 182 C ALA A 12 18.822 -17.595 9.503 1.00 25.00 C ATOM 183 O ALA A 12 18.068 -18.485 9.890 1.00 25.00 O ATOM 184 CB ALA A 12 18.239 -15.694 11.068 1.00 25.00 C ATOM 0 H ALA A 12 16.336 -15.760 9.563 1.00 25.00 H new ATOM 0 HA ALA A 12 19.166 -15.522 9.115 1.00 25.00 H new ATOM 0 HB1 ALA A 12 19.183 -15.849 11.591 1.00 25.00 H new ATOM 0 HB2 ALA A 12 17.966 -14.640 11.116 1.00 25.00 H new ATOM 0 HB3 ALA A 12 17.460 -16.292 11.541 1.00 25.00 H new ATOM 190 N LEU A 13 20.029 -17.857 9.015 1.00 25.00 N ATOM 191 CA LEU A 13 20.565 -19.228 8.970 1.00 25.00 C ATOM 192 C LEU A 13 21.282 -19.550 10.260 1.00 25.00 C ATOM 193 O LEU A 13 21.538 -20.709 10.560 1.00 25.00 O ATOM 194 CB LEU A 13 21.600 -19.399 7.856 1.00 25.00 C ATOM 195 CG LEU A 13 21.222 -19.277 6.383 1.00 25.00 C ATOM 196 CD1 LEU A 13 19.788 -19.719 6.084 1.00 25.00 C ATOM 197 CD2 LEU A 13 21.455 -17.876 5.906 1.00 25.00 C ATOM 0 H LEU A 13 20.659 -17.146 8.644 1.00 25.00 H new ATOM 0 HA LEU A 13 19.712 -19.885 8.800 1.00 25.00 H new ATOM 0 HB2 LEU A 13 22.387 -18.668 8.041 1.00 25.00 H new ATOM 0 HB3 LEU A 13 22.044 -20.386 7.987 1.00 25.00 H new ATOM 0 HG LEU A 13 21.869 -19.963 5.836 1.00 25.00 H new ATOM 0 HD11 LEU A 13 19.587 -19.606 5.019 1.00 25.00 H new ATOM 0 HD12 LEU A 13 19.663 -20.764 6.368 1.00 25.00 H new ATOM 0 HD13 LEU A 13 19.091 -19.103 6.652 1.00 25.00 H new ATOM 0 HD21 LEU A 13 21.182 -17.800 4.853 1.00 25.00 H new ATOM 0 HD22 LEU A 13 20.845 -17.187 6.490 1.00 25.00 H new ATOM 0 HD23 LEU A 13 22.508 -17.621 6.027 1.00 25.00 H new ATOM 209 N TYR A 14 21.636 -18.510 10.990 1.00 25.00 N ATOM 210 CA TYR A 14 22.366 -18.628 12.240 1.00 25.00 C ATOM 211 C TYR A 14 21.788 -17.543 13.111 1.00 25.00 C ATOM 212 O TYR A 14 21.205 -16.599 12.593 1.00 25.00 O ATOM 213 CB TYR A 14 23.855 -18.380 12.021 1.00 25.00 C ATOM 214 CG TYR A 14 24.478 -19.328 11.021 1.00 25.00 C ATOM 215 CD1 TYR A 14 24.966 -20.585 11.425 1.00 25.00 C ATOM 216 CD2 TYR A 14 24.569 -18.975 9.660 1.00 25.00 C ATOM 217 CE1 TYR A 14 25.541 -21.477 10.484 1.00 25.00 C ATOM 218 CE2 TYR A 14 25.128 -19.870 8.714 1.00 25.00 C ATOM 219 CZ TYR A 14 25.614 -21.111 9.137 1.00 25.00 C ATOM 220 OH TYR A 14 26.167 -21.972 8.226 1.00 25.00 O ATOM 0 H TYR A 14 21.423 -17.547 10.730 1.00 25.00 H new ATOM 0 HA TYR A 14 22.273 -19.621 12.679 1.00 25.00 H new ATOM 0 HB2 TYR A 14 23.999 -17.355 11.679 1.00 25.00 H new ATOM 0 HB3 TYR A 14 24.376 -18.474 12.974 1.00 25.00 H new ATOM 0 HD1 TYR A 14 24.902 -20.874 12.464 1.00 25.00 H new ATOM 0 HD2 TYR A 14 24.208 -18.011 9.334 1.00 25.00 H new ATOM 0 HE1 TYR A 14 25.921 -22.435 10.807 1.00 25.00 H new ATOM 0 HE2 TYR A 14 25.178 -19.595 7.671 1.00 25.00 H new ATOM 0 HH TYR A 14 26.140 -21.566 7.334 1.00 25.00 H new ATOM 230 N ASP A 15 21.950 -17.658 14.414 1.00 25.00 N ATOM 231 CA ASP A 15 21.512 -16.613 15.320 1.00 25.00 C ATOM 232 C ASP A 15 22.565 -15.511 15.306 1.00 25.00 C ATOM 233 O ASP A 15 23.662 -15.684 14.762 1.00 25.00 O ATOM 234 CB ASP A 15 21.317 -17.171 16.734 1.00 25.00 C ATOM 235 CG ASP A 15 22.575 -17.800 17.298 1.00 25.00 C ATOM 236 OD1 ASP A 15 22.997 -17.383 18.393 1.00 25.00 O ATOM 237 OD2 ASP A 15 23.042 -18.810 16.730 1.00 25.00 O ATOM 0 H ASP A 15 22.381 -18.463 14.869 1.00 25.00 H new ATOM 0 HA ASP A 15 20.551 -16.212 14.999 1.00 25.00 H new ATOM 0 HB2 ASP A 15 20.991 -16.368 17.395 1.00 25.00 H new ATOM 0 HB3 ASP A 15 20.520 -17.915 16.719 1.00 25.00 H new ATOM 242 N ASN A 16 22.225 -14.366 15.872 1.00 25.00 N ATOM 243 CA ASN A 16 23.135 -13.239 15.911 1.00 25.00 C ATOM 244 C ASN A 16 22.990 -12.496 17.215 1.00 25.00 C ATOM 245 O ASN A 16 21.877 -12.274 17.694 1.00 25.00 O ATOM 246 CB ASN A 16 22.858 -12.273 14.762 1.00 25.00 C ATOM 247 CG ASN A 16 23.992 -11.310 14.551 1.00 25.00 C ATOM 248 OD1 ASN A 16 25.134 -11.730 14.397 1.00 25.00 O ATOM 249 ND2 ASN A 16 23.712 -10.043 14.583 1.00 25.00 N ATOM 0 H ASN A 16 21.321 -14.194 16.312 1.00 25.00 H new ATOM 0 HA ASN A 16 24.149 -13.628 15.816 1.00 25.00 H new ATOM 0 HB2 ASN A 16 22.687 -12.839 13.846 1.00 25.00 H new ATOM 0 HB3 ASN A 16 21.944 -11.717 14.968 1.00 25.00 H new ATOM 0 HD21 ASN A 16 24.456 -9.353 14.478 1.00 25.00 H new ATOM 0 HD22 ASN A 16 22.748 -9.737 14.713 1.00 25.00 H new ATOM 256 N VAL A 17 24.116 -12.078 17.759 1.00 25.00 N ATOM 257 CA VAL A 17 24.148 -11.281 18.968 1.00 25.00 C ATOM 258 C VAL A 17 24.630 -9.925 18.509 1.00 25.00 C ATOM 259 O VAL A 17 25.649 -9.815 17.827 1.00 25.00 O ATOM 260 CB VAL A 17 25.098 -11.891 20.031 1.00 25.00 C ATOM 261 CG1 VAL A 17 25.154 -11.009 21.290 1.00 25.00 C ATOM 262 CG2 VAL A 17 24.622 -13.309 20.409 1.00 25.00 C ATOM 0 H VAL A 17 25.038 -12.283 17.373 1.00 25.00 H new ATOM 0 HA VAL A 17 23.173 -11.232 19.453 1.00 25.00 H new ATOM 0 HB VAL A 17 26.099 -11.945 19.603 1.00 25.00 H new ATOM 0 HG11 VAL A 17 25.827 -11.459 22.020 1.00 25.00 H new ATOM 0 HG12 VAL A 17 25.519 -10.017 21.023 1.00 25.00 H new ATOM 0 HG13 VAL A 17 24.156 -10.925 21.720 1.00 25.00 H new ATOM 0 HG21 VAL A 17 25.294 -13.731 21.156 1.00 25.00 H new ATOM 0 HG22 VAL A 17 23.613 -13.257 20.817 1.00 25.00 H new ATOM 0 HG23 VAL A 17 24.623 -13.942 19.521 1.00 25.00 H new ATOM 272 N ALA A 18 23.846 -8.910 18.821 1.00 25.00 N ATOM 273 CA ALA A 18 24.155 -7.552 18.427 1.00 25.00 C ATOM 274 C ALA A 18 25.259 -7.031 19.337 1.00 25.00 C ATOM 275 O ALA A 18 25.108 -7.017 20.556 1.00 25.00 O ATOM 276 CB ALA A 18 22.906 -6.694 18.538 1.00 25.00 C ATOM 0 H ALA A 18 22.981 -9.005 19.353 1.00 25.00 H new ATOM 0 HA ALA A 18 24.496 -7.518 17.392 1.00 25.00 H new ATOM 0 HB1 ALA A 18 23.139 -5.671 18.241 1.00 25.00 H new ATOM 0 HB2 ALA A 18 22.131 -7.094 17.884 1.00 25.00 H new ATOM 0 HB3 ALA A 18 22.551 -6.700 19.568 1.00 25.00 H new ATOM 282 N GLU A 19 26.370 -6.640 18.736 1.00 25.00 N ATOM 283 CA GLU A 19 27.523 -6.133 19.483 1.00 25.00 C ATOM 284 C GLU A 19 27.672 -4.644 19.209 1.00 25.00 C ATOM 285 O GLU A 19 28.170 -3.889 20.038 1.00 25.00 O ATOM 286 CB GLU A 19 28.782 -6.894 19.064 1.00 25.00 C ATOM 287 CG GLU A 19 28.713 -8.373 19.430 1.00 25.00 C ATOM 288 CD GLU A 19 29.939 -9.152 18.981 1.00 25.00 C ATOM 289 OE1 GLU A 19 30.558 -9.839 19.817 1.00 25.00 O ATOM 290 OE2 GLU A 19 30.228 -9.150 17.763 1.00 25.00 O ATOM 0 H GLU A 19 26.504 -6.662 17.725 1.00 25.00 H new ATOM 0 HA GLU A 19 27.375 -6.283 20.552 1.00 25.00 H new ATOM 0 HB2 GLU A 19 28.923 -6.795 17.988 1.00 25.00 H new ATOM 0 HB3 GLU A 19 29.652 -6.444 19.542 1.00 25.00 H new ATOM 0 HG2 GLU A 19 28.603 -8.470 20.510 1.00 25.00 H new ATOM 0 HG3 GLU A 19 27.824 -8.813 18.978 1.00 25.00 H new ATOM 297 N SER A 20 27.171 -4.222 18.060 1.00 25.00 N ATOM 298 CA SER A 20 27.112 -2.807 17.719 1.00 25.00 C ATOM 299 C SER A 20 25.739 -2.316 18.140 1.00 25.00 C ATOM 300 O SER A 20 24.757 -3.057 18.043 1.00 25.00 O ATOM 301 CB SER A 20 27.299 -2.623 16.211 1.00 25.00 C ATOM 302 OG SER A 20 26.999 -1.296 15.807 1.00 25.00 O ATOM 0 H SER A 20 26.797 -4.842 17.342 1.00 25.00 H new ATOM 0 HA SER A 20 27.900 -2.247 18.222 1.00 25.00 H new ATOM 0 HB2 SER A 20 28.327 -2.864 15.939 1.00 25.00 H new ATOM 0 HB3 SER A 20 26.656 -3.321 15.676 1.00 25.00 H new ATOM 0 HG SER A 20 27.130 -1.211 14.839 1.00 25.00 H new ATOM 308 N PRO A 21 25.632 -1.050 18.575 1.00 25.00 N ATOM 309 CA PRO A 21 24.307 -0.530 18.926 1.00 25.00 C ATOM 310 C PRO A 21 23.394 -0.395 17.709 1.00 25.00 C ATOM 311 O PRO A 21 22.178 -0.260 17.848 1.00 25.00 O ATOM 312 CB PRO A 21 24.633 0.837 19.531 1.00 25.00 C ATOM 313 CG PRO A 21 25.901 1.235 18.852 1.00 25.00 C ATOM 314 CD PRO A 21 26.678 -0.024 18.755 1.00 25.00 C ATOM 0 HA PRO A 21 23.761 -1.190 19.600 1.00 25.00 H new ATOM 0 HB2 PRO A 21 23.836 1.557 19.344 1.00 25.00 H new ATOM 0 HB3 PRO A 21 24.760 0.776 20.612 1.00 25.00 H new ATOM 0 HG2 PRO A 21 25.708 1.660 17.867 1.00 25.00 H new ATOM 0 HG3 PRO A 21 26.438 1.991 19.425 1.00 25.00 H new ATOM 0 HD2 PRO A 21 27.373 -0.005 17.915 1.00 25.00 H new ATOM 0 HD3 PRO A 21 27.268 -0.204 19.653 1.00 25.00 H new ATOM 322 N ASP A 22 23.972 -0.476 16.520 1.00 25.00 N ATOM 323 CA ASP A 22 23.217 -0.369 15.284 1.00 25.00 C ATOM 324 C ASP A 22 22.820 -1.743 14.784 1.00 25.00 C ATOM 325 O ASP A 22 22.183 -1.846 13.764 1.00 25.00 O ATOM 326 CB ASP A 22 24.083 0.297 14.206 1.00 25.00 C ATOM 327 CG ASP A 22 24.354 1.754 14.502 1.00 25.00 C ATOM 328 OD1 ASP A 22 23.566 2.380 15.244 1.00 25.00 O ATOM 329 OD2 ASP A 22 25.368 2.272 13.997 1.00 25.00 O ATOM 0 H ASP A 22 24.973 -0.617 16.386 1.00 25.00 H new ATOM 0 HA ASP A 22 22.324 0.225 15.481 1.00 25.00 H new ATOM 0 HB2 ASP A 22 25.030 -0.236 14.124 1.00 25.00 H new ATOM 0 HB3 ASP A 22 23.585 0.212 13.240 1.00 25.00 H new ATOM 334 N GLU A 23 23.238 -2.801 15.459 1.00 25.00 N ATOM 335 CA GLU A 23 23.026 -4.161 14.971 1.00 25.00 C ATOM 336 C GLU A 23 21.768 -4.805 15.567 1.00 25.00 C ATOM 337 O GLU A 23 21.342 -4.466 16.671 1.00 25.00 O ATOM 338 CB GLU A 23 24.273 -4.986 15.311 1.00 25.00 C ATOM 339 CG GLU A 23 24.364 -6.336 14.632 1.00 25.00 C ATOM 340 CD GLU A 23 25.644 -7.070 14.975 1.00 25.00 C ATOM 341 OE1 GLU A 23 26.398 -6.627 15.876 1.00 25.00 O ATOM 342 OE2 GLU A 23 25.883 -8.136 14.369 1.00 25.00 O ATOM 0 H GLU A 23 23.729 -2.747 16.351 1.00 25.00 H new ATOM 0 HA GLU A 23 22.868 -4.131 13.893 1.00 25.00 H new ATOM 0 HB2 GLU A 23 25.156 -4.405 15.046 1.00 25.00 H new ATOM 0 HB3 GLU A 23 24.304 -5.138 16.390 1.00 25.00 H new ATOM 0 HG2 GLU A 23 23.509 -6.945 14.925 1.00 25.00 H new ATOM 0 HG3 GLU A 23 24.304 -6.201 13.552 1.00 25.00 H new ATOM 349 N LEU A 24 21.186 -5.749 14.838 1.00 25.00 N ATOM 350 CA LEU A 24 20.036 -6.508 15.333 1.00 25.00 C ATOM 351 C LEU A 24 20.446 -7.856 15.892 1.00 25.00 C ATOM 352 O LEU A 24 21.302 -8.549 15.341 1.00 25.00 O ATOM 353 CB LEU A 24 19.020 -6.758 14.221 1.00 25.00 C ATOM 354 CG LEU A 24 18.262 -5.528 13.722 1.00 25.00 C ATOM 355 CD1 LEU A 24 17.347 -5.933 12.583 1.00 25.00 C ATOM 356 CD2 LEU A 24 17.449 -4.895 14.854 1.00 25.00 C ATOM 0 H LEU A 24 21.489 -6.010 13.900 1.00 25.00 H new ATOM 0 HA LEU A 24 19.593 -5.902 16.124 1.00 25.00 H new ATOM 0 HB2 LEU A 24 19.539 -7.209 13.375 1.00 25.00 H new ATOM 0 HB3 LEU A 24 18.294 -7.489 14.576 1.00 25.00 H new ATOM 0 HG LEU A 24 18.980 -4.788 13.368 1.00 25.00 H new ATOM 0 HD11 LEU A 24 16.804 -5.059 12.224 1.00 25.00 H new ATOM 0 HD12 LEU A 24 17.941 -6.351 11.770 1.00 25.00 H new ATOM 0 HD13 LEU A 24 16.637 -6.681 12.935 1.00 25.00 H new ATOM 0 HD21 LEU A 24 16.918 -4.021 14.476 1.00 25.00 H new ATOM 0 HD22 LEU A 24 16.730 -5.620 15.235 1.00 25.00 H new ATOM 0 HD23 LEU A 24 18.120 -4.592 15.658 1.00 25.00 H new ATOM 368 N SER A 25 19.771 -8.248 16.958 1.00 25.00 N ATOM 369 CA SER A 25 19.967 -9.543 17.575 1.00 25.00 C ATOM 370 C SER A 25 18.734 -10.370 17.265 1.00 25.00 C ATOM 371 O SER A 25 17.607 -9.898 17.398 1.00 25.00 O ATOM 372 CB SER A 25 20.139 -9.379 19.083 1.00 25.00 C ATOM 373 OG SER A 25 19.358 -8.291 19.554 1.00 25.00 O ATOM 0 H SER A 25 19.068 -7.672 17.421 1.00 25.00 H new ATOM 0 HA SER A 25 20.863 -10.032 17.192 1.00 25.00 H new ATOM 0 HB2 SER A 25 19.841 -10.296 19.591 1.00 25.00 H new ATOM 0 HB3 SER A 25 21.190 -9.210 19.320 1.00 25.00 H new ATOM 0 HG SER A 25 19.476 -8.198 20.522 1.00 25.00 H new ATOM 379 N PHE A 26 18.962 -11.586 16.802 1.00 25.00 N ATOM 380 CA PHE A 26 17.878 -12.494 16.411 1.00 25.00 C ATOM 381 C PHE A 26 18.316 -13.946 16.509 1.00 25.00 C ATOM 382 O PHE A 26 19.498 -14.239 16.688 1.00 25.00 O ATOM 383 CB PHE A 26 17.427 -12.192 14.982 1.00 25.00 C ATOM 384 CG PHE A 26 18.544 -12.147 13.993 1.00 25.00 C ATOM 385 CD1 PHE A 26 19.115 -13.333 13.495 1.00 25.00 C ATOM 386 CD2 PHE A 26 19.018 -10.912 13.528 1.00 25.00 C ATOM 387 CE1 PHE A 26 20.147 -13.285 12.533 1.00 25.00 C ATOM 388 CE2 PHE A 26 20.036 -10.855 12.572 1.00 25.00 C ATOM 389 CZ PHE A 26 20.600 -12.053 12.063 1.00 25.00 C ATOM 0 H PHE A 26 19.896 -11.978 16.684 1.00 25.00 H new ATOM 0 HA PHE A 26 17.046 -12.336 17.097 1.00 25.00 H new ATOM 0 HB2 PHE A 26 16.709 -12.950 14.670 1.00 25.00 H new ATOM 0 HB3 PHE A 26 16.906 -11.235 14.970 1.00 25.00 H new ATOM 0 HD1 PHE A 26 18.760 -14.289 13.852 1.00 25.00 H new ATOM 0 HD2 PHE A 26 18.593 -9.997 13.912 1.00 25.00 H new ATOM 0 HE1 PHE A 26 20.584 -14.200 12.162 1.00 25.00 H new ATOM 0 HE2 PHE A 26 20.393 -9.898 12.221 1.00 25.00 H new ATOM 0 HZ PHE A 26 21.377 -12.011 11.314 1.00 25.00 H new ATOM 399 N ARG A 27 17.365 -14.858 16.382 1.00 25.00 N ATOM 400 CA ARG A 27 17.627 -16.284 16.459 1.00 25.00 C ATOM 401 C ARG A 27 17.650 -16.908 15.065 1.00 25.00 C ATOM 402 O ARG A 27 17.084 -16.377 14.120 1.00 25.00 O ATOM 403 CB ARG A 27 16.521 -16.927 17.302 1.00 25.00 C ATOM 404 CG ARG A 27 16.942 -18.187 18.020 1.00 25.00 C ATOM 405 CD ARG A 27 17.808 -17.868 19.250 1.00 25.00 C ATOM 406 NE ARG A 27 18.411 -19.079 19.838 1.00 25.00 N ATOM 407 CZ ARG A 27 19.703 -19.247 20.113 1.00 25.00 C ATOM 408 NH1 ARG A 27 20.593 -18.312 19.896 1.00 25.00 N ATOM 409 NH2 ARG A 27 20.109 -20.381 20.609 1.00 25.00 N ATOM 0 H ARG A 27 16.385 -14.627 16.222 1.00 25.00 H new ATOM 0 HA ARG A 27 18.602 -16.453 16.916 1.00 25.00 H new ATOM 0 HB2 ARG A 27 16.173 -16.202 18.038 1.00 25.00 H new ATOM 0 HB3 ARG A 27 15.674 -17.157 16.655 1.00 25.00 H new ATOM 0 HG2 ARG A 27 16.058 -18.744 18.330 1.00 25.00 H new ATOM 0 HG3 ARG A 27 17.499 -18.828 17.337 1.00 25.00 H new ATOM 0 HD2 ARG A 27 18.598 -17.173 18.965 1.00 25.00 H new ATOM 0 HD3 ARG A 27 17.198 -17.367 20.001 1.00 25.00 H new ATOM 0 HE ARG A 27 17.784 -19.855 20.052 1.00 25.00 H new ATOM 0 HH11 ARG A 27 20.306 -17.416 19.503 1.00 25.00 H new ATOM 0 HH12 ARG A 27 21.574 -18.480 20.120 1.00 25.00 H new ATOM 0 HH21 ARG A 27 19.439 -21.130 20.783 1.00 25.00 H new ATOM 0 HH22 ARG A 27 21.097 -20.520 20.823 1.00 25.00 H new ATOM 423 N LYS A 28 18.284 -18.064 14.956 1.00 25.00 N ATOM 424 CA LYS A 28 18.291 -18.839 13.719 1.00 25.00 C ATOM 425 C LYS A 28 16.850 -19.198 13.380 1.00 25.00 C ATOM 426 O LYS A 28 16.127 -19.720 14.219 1.00 25.00 O ATOM 427 CB LYS A 28 19.133 -20.101 13.945 1.00 25.00 C ATOM 428 CG LYS A 28 19.159 -21.101 12.799 1.00 25.00 C ATOM 429 CD LYS A 28 20.234 -22.157 13.088 1.00 25.00 C ATOM 430 CE LYS A 28 20.291 -23.267 12.035 1.00 25.00 C ATOM 431 NZ LYS A 28 21.431 -24.211 12.341 1.00 25.00 N ATOM 0 H LYS A 28 18.808 -18.494 15.718 1.00 25.00 H new ATOM 0 HA LYS A 28 18.721 -18.274 12.892 1.00 25.00 H new ATOM 0 HB2 LYS A 28 20.158 -19.796 14.158 1.00 25.00 H new ATOM 0 HB3 LYS A 28 18.760 -20.608 14.835 1.00 25.00 H new ATOM 0 HG2 LYS A 28 18.184 -21.575 12.690 1.00 25.00 H new ATOM 0 HG3 LYS A 28 19.373 -20.592 11.859 1.00 25.00 H new ATOM 0 HD2 LYS A 28 21.207 -21.669 13.144 1.00 25.00 H new ATOM 0 HD3 LYS A 28 20.043 -22.602 14.065 1.00 25.00 H new ATOM 0 HE2 LYS A 28 19.349 -23.814 12.020 1.00 25.00 H new ATOM 0 HE3 LYS A 28 20.423 -22.833 11.044 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 21.463 -24.961 11.622 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 22.328 -23.686 12.333 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 21.287 -24.636 13.279 1.00 25.00 H new ATOM 445 N GLY A 29 16.450 -18.902 12.152 1.00 25.00 N ATOM 446 CA GLY A 29 15.094 -19.160 11.699 1.00 25.00 C ATOM 447 C GLY A 29 14.221 -17.916 11.665 1.00 25.00 C ATOM 448 O GLY A 29 13.167 -17.939 11.024 1.00 25.00 O ATOM 0 H GLY A 29 17.053 -18.479 11.447 1.00 25.00 H new ATOM 0 HA2 GLY A 29 15.129 -19.597 10.701 1.00 25.00 H new ATOM 0 HA3 GLY A 29 14.634 -19.899 12.355 1.00 25.00 H new ATOM 452 N ASP A 30 14.649 -16.846 12.325 1.00 25.00 N ATOM 453 CA ASP A 30 13.850 -15.616 12.412 1.00 25.00 C ATOM 454 C ASP A 30 13.748 -14.940 11.058 1.00 25.00 C ATOM 455 O ASP A 30 14.592 -15.157 10.181 1.00 25.00 O ATOM 456 CB ASP A 30 14.478 -14.620 13.396 1.00 25.00 C ATOM 457 CG ASP A 30 14.285 -15.026 14.852 1.00 25.00 C ATOM 458 OD1 ASP A 30 13.724 -16.106 15.119 1.00 25.00 O ATOM 459 OD2 ASP A 30 14.719 -14.258 15.739 1.00 25.00 O ATOM 0 H ASP A 30 15.545 -16.799 12.810 1.00 25.00 H new ATOM 0 HA ASP A 30 12.858 -15.904 12.760 1.00 25.00 H new ATOM 0 HB2 ASP A 30 15.544 -14.533 13.186 1.00 25.00 H new ATOM 0 HB3 ASP A 30 14.040 -13.635 13.237 1.00 25.00 H new ATOM 464 N ILE A 31 12.731 -14.101 10.899 1.00 25.00 N ATOM 465 CA ILE A 31 12.511 -13.359 9.657 1.00 25.00 C ATOM 466 C ILE A 31 12.612 -11.873 9.930 1.00 25.00 C ATOM 467 O ILE A 31 11.937 -11.354 10.814 1.00 25.00 O ATOM 468 CB ILE A 31 11.093 -13.629 9.055 1.00 25.00 C ATOM 469 CG1 ILE A 31 10.893 -15.127 8.770 1.00 25.00 C ATOM 470 CG2 ILE A 31 10.882 -12.809 7.746 1.00 25.00 C ATOM 471 CD1 ILE A 31 11.924 -15.751 7.859 1.00 25.00 C ATOM 0 H ILE A 31 12.037 -13.914 11.622 1.00 25.00 H new ATOM 0 HA ILE A 31 13.270 -13.691 8.948 1.00 25.00 H new ATOM 0 HB ILE A 31 10.355 -13.312 9.792 1.00 25.00 H new ATOM 0 HG12 ILE A 31 10.896 -15.665 9.718 1.00 25.00 H new ATOM 0 HG13 ILE A 31 9.907 -15.268 8.327 1.00 25.00 H new ATOM 0 HG21 ILE A 31 9.889 -13.013 7.345 1.00 25.00 H new ATOM 0 HG22 ILE A 31 10.974 -11.745 7.964 1.00 25.00 H new ATOM 0 HG23 ILE A 31 11.635 -13.095 7.012 1.00 25.00 H new ATOM 0 HD11 ILE A 31 11.695 -16.808 7.720 1.00 25.00 H new ATOM 0 HD12 ILE A 31 11.909 -15.247 6.893 1.00 25.00 H new ATOM 0 HD13 ILE A 31 12.913 -15.650 8.306 1.00 25.00 H new ATOM 483 N MET A 32 13.411 -11.183 9.132 1.00 25.00 N ATOM 484 CA MET A 32 13.528 -9.734 9.220 1.00 25.00 C ATOM 485 C MET A 32 13.294 -9.136 7.850 1.00 25.00 C ATOM 486 O MET A 32 13.492 -9.792 6.823 1.00 25.00 O ATOM 487 CB MET A 32 14.902 -9.328 9.752 1.00 25.00 C ATOM 488 CG MET A 32 16.070 -9.923 8.999 1.00 25.00 C ATOM 489 SD MET A 32 17.342 -10.416 10.172 1.00 25.00 S ATOM 490 CE MET A 32 16.595 -11.936 10.884 1.00 25.00 C ATOM 0 H MET A 32 13.993 -11.607 8.410 1.00 25.00 H new ATOM 0 HA MET A 32 12.779 -9.357 9.917 1.00 25.00 H new ATOM 0 HB2 MET A 32 14.982 -8.241 9.721 1.00 25.00 H new ATOM 0 HB3 MET A 32 14.973 -9.623 10.799 1.00 25.00 H new ATOM 0 HG2 MET A 32 15.742 -10.784 8.417 1.00 25.00 H new ATOM 0 HG3 MET A 32 16.472 -9.196 8.293 1.00 25.00 H new ATOM 0 HE1 MET A 32 16.644 -11.890 11.972 1.00 25.00 H new ATOM 0 HE2 MET A 32 15.554 -12.011 10.570 1.00 25.00 H new ATOM 0 HE3 MET A 32 17.144 -12.810 10.533 1.00 25.00 H new ATOM 500 N THR A 33 12.851 -7.894 7.848 1.00 25.00 N ATOM 501 CA THR A 33 12.578 -7.163 6.612 1.00 25.00 C ATOM 502 C THR A 33 13.839 -6.443 6.169 1.00 25.00 C ATOM 503 O THR A 33 14.271 -5.522 6.834 1.00 25.00 O ATOM 504 CB THR A 33 11.474 -6.107 6.823 1.00 25.00 C ATOM 505 OG1 THR A 33 10.269 -6.759 7.231 1.00 25.00 O ATOM 506 CG2 THR A 33 11.185 -5.328 5.550 1.00 25.00 C ATOM 0 H THR A 33 12.669 -7.359 8.697 1.00 25.00 H new ATOM 0 HA THR A 33 12.250 -7.880 5.860 1.00 25.00 H new ATOM 0 HB THR A 33 11.825 -5.412 7.585 1.00 25.00 H new ATOM 0 HG1 THR A 33 9.566 -6.091 7.368 1.00 25.00 H new ATOM 0 HG21 THR A 33 10.402 -4.595 5.742 1.00 25.00 H new ATOM 0 HG22 THR A 33 12.090 -4.815 5.224 1.00 25.00 H new ATOM 0 HG23 THR A 33 10.856 -6.015 4.770 1.00 25.00 H new ATOM 514 N VAL A 34 14.425 -6.856 5.058 1.00 25.00 N ATOM 515 CA VAL A 34 15.620 -6.207 4.528 1.00 25.00 C ATOM 516 C VAL A 34 15.200 -4.913 3.872 1.00 25.00 C ATOM 517 O VAL A 34 14.344 -4.895 2.983 1.00 25.00 O ATOM 518 CB VAL A 34 16.343 -7.082 3.488 1.00 25.00 C ATOM 519 CG1 VAL A 34 17.655 -6.433 3.019 1.00 25.00 C ATOM 520 CG2 VAL A 34 16.632 -8.446 4.079 1.00 25.00 C ATOM 0 H VAL A 34 14.093 -7.643 4.500 1.00 25.00 H new ATOM 0 HA VAL A 34 16.312 -6.035 5.352 1.00 25.00 H new ATOM 0 HB VAL A 34 15.689 -7.184 2.622 1.00 25.00 H new ATOM 0 HG11 VAL A 34 18.138 -7.078 2.286 1.00 25.00 H new ATOM 0 HG12 VAL A 34 17.440 -5.465 2.565 1.00 25.00 H new ATOM 0 HG13 VAL A 34 18.318 -6.294 3.873 1.00 25.00 H new ATOM 0 HG21 VAL A 34 17.144 -9.062 3.340 1.00 25.00 H new ATOM 0 HG22 VAL A 34 17.265 -8.334 4.959 1.00 25.00 H new ATOM 0 HG23 VAL A 34 15.695 -8.925 4.364 1.00 25.00 H new ATOM 530 N LEU A 35 15.783 -3.829 4.334 1.00 25.00 N ATOM 531 CA LEU A 35 15.478 -2.512 3.830 1.00 25.00 C ATOM 532 C LEU A 35 16.493 -2.153 2.760 1.00 25.00 C ATOM 533 O LEU A 35 16.126 -1.792 1.652 1.00 25.00 O ATOM 534 CB LEU A 35 15.517 -1.517 4.985 1.00 25.00 C ATOM 535 CG LEU A 35 14.484 -1.805 6.084 1.00 25.00 C ATOM 536 CD1 LEU A 35 14.745 -0.896 7.243 1.00 25.00 C ATOM 537 CD2 LEU A 35 13.048 -1.613 5.590 1.00 25.00 C ATOM 0 H LEU A 35 16.485 -3.838 5.074 1.00 25.00 H new ATOM 0 HA LEU A 35 14.482 -2.486 3.388 1.00 25.00 H new ATOM 0 HB2 LEU A 35 16.514 -1.524 5.425 1.00 25.00 H new ATOM 0 HB3 LEU A 35 15.348 -0.514 4.594 1.00 25.00 H new ATOM 0 HG LEU A 35 14.587 -2.848 6.383 1.00 25.00 H new ATOM 0 HD11 LEU A 35 14.017 -1.092 8.030 1.00 25.00 H new ATOM 0 HD12 LEU A 35 15.750 -1.074 7.626 1.00 25.00 H new ATOM 0 HD13 LEU A 35 14.659 0.141 6.919 1.00 25.00 H new ATOM 0 HD21 LEU A 35 12.352 -1.828 6.401 1.00 25.00 H new ATOM 0 HD22 LEU A 35 12.912 -0.584 5.258 1.00 25.00 H new ATOM 0 HD23 LEU A 35 12.856 -2.291 4.758 1.00 25.00 H new ATOM 549 N GLU A 36 17.765 -2.340 3.054 1.00 25.00 N ATOM 550 CA GLU A 36 18.802 -2.157 2.044 1.00 25.00 C ATOM 551 C GLU A 36 19.963 -3.082 2.367 1.00 25.00 C ATOM 552 O GLU A 36 19.979 -3.721 3.416 1.00 25.00 O ATOM 553 CB GLU A 36 19.263 -0.694 1.954 1.00 25.00 C ATOM 554 CG GLU A 36 20.129 -0.223 3.050 1.00 25.00 C ATOM 555 CD GLU A 36 20.485 1.248 2.920 1.00 25.00 C ATOM 556 OE1 GLU A 36 20.655 1.907 3.968 1.00 25.00 O ATOM 557 OE2 GLU A 36 20.608 1.742 1.784 1.00 25.00 O ATOM 0 H GLU A 36 18.108 -2.616 3.974 1.00 25.00 H new ATOM 0 HA GLU A 36 18.393 -2.409 1.065 1.00 25.00 H new ATOM 0 HB2 GLU A 36 19.795 -0.558 1.012 1.00 25.00 H new ATOM 0 HB3 GLU A 36 18.380 -0.057 1.915 1.00 25.00 H new ATOM 0 HG2 GLU A 36 19.626 -0.389 4.003 1.00 25.00 H new ATOM 0 HG3 GLU A 36 21.044 -0.815 3.065 1.00 25.00 H new ATOM 564 N ARG A 37 20.931 -3.156 1.471 1.00 25.00 N ATOM 565 CA ARG A 37 22.116 -3.970 1.675 1.00 25.00 C ATOM 566 C ARG A 37 23.296 -3.053 1.514 1.00 25.00 C ATOM 567 O ARG A 37 23.194 -2.084 0.779 1.00 25.00 O ATOM 568 CB ARG A 37 22.207 -5.058 0.617 1.00 25.00 C ATOM 569 CG ARG A 37 21.025 -6.007 0.587 1.00 25.00 C ATOM 570 CD ARG A 37 21.277 -7.153 -0.399 1.00 25.00 C ATOM 571 NE ARG A 37 21.383 -6.668 -1.792 1.00 25.00 N ATOM 572 CZ ARG A 37 22.520 -6.380 -2.429 1.00 25.00 C ATOM 573 NH1 ARG A 37 23.697 -6.529 -1.879 1.00 25.00 N ATOM 574 NH2 ARG A 37 22.466 -5.918 -3.646 1.00 25.00 N ATOM 0 H ARG A 37 20.918 -2.654 0.583 1.00 25.00 H new ATOM 0 HA ARG A 37 22.086 -4.443 2.656 1.00 25.00 H new ATOM 0 HB2 ARG A 37 22.304 -4.588 -0.362 1.00 25.00 H new ATOM 0 HB3 ARG A 37 23.116 -5.635 0.785 1.00 25.00 H new ATOM 0 HG2 ARG A 37 20.850 -6.410 1.584 1.00 25.00 H new ATOM 0 HG3 ARG A 37 20.124 -5.465 0.300 1.00 25.00 H new ATOM 0 HD2 ARG A 37 22.195 -7.673 -0.125 1.00 25.00 H new ATOM 0 HD3 ARG A 37 20.466 -7.878 -0.328 1.00 25.00 H new ATOM 0 HE ARG A 37 20.513 -6.543 -2.310 1.00 25.00 H new ATOM 0 HH11 ARG A 37 23.773 -6.879 -0.924 1.00 25.00 H new ATOM 0 HH12 ARG A 37 24.539 -6.296 -2.405 1.00 25.00 H new ATOM 0 HH21 ARG A 37 21.563 -5.781 -4.100 1.00 25.00 H new ATOM 0 HH22 ARG A 37 23.327 -5.694 -4.145 1.00 25.00 H new ATOM 588 N ASP A 38 24.389 -3.387 2.181 1.00 25.00 N ATOM 589 CA ASP A 38 25.657 -2.660 2.082 1.00 25.00 C ATOM 590 C ASP A 38 25.425 -1.200 2.502 1.00 25.00 C ATOM 591 O ASP A 38 25.962 -0.239 1.948 1.00 25.00 O ATOM 592 CB ASP A 38 26.243 -2.854 0.676 1.00 25.00 C ATOM 593 CG ASP A 38 26.227 -4.337 0.251 1.00 25.00 C ATOM 594 OD1 ASP A 38 25.687 -4.646 -0.841 1.00 25.00 O ATOM 595 OD2 ASP A 38 26.609 -5.210 1.079 1.00 25.00 O ATOM 0 H ASP A 38 24.427 -4.183 2.818 1.00 25.00 H new ATOM 0 HA ASP A 38 26.412 -3.049 2.765 1.00 25.00 H new ATOM 0 HB2 ASP A 38 25.672 -2.264 -0.041 1.00 25.00 H new ATOM 0 HB3 ASP A 38 27.267 -2.480 0.654 1.00 25.00 H new ATOM 600 N THR A 39 24.557 -1.082 3.497 1.00 25.00 N ATOM 601 CA THR A 39 24.100 0.198 4.038 1.00 25.00 C ATOM 602 C THR A 39 25.253 0.956 4.677 1.00 25.00 C ATOM 603 O THR A 39 26.149 0.354 5.232 1.00 25.00 O ATOM 604 CB THR A 39 23.001 -0.036 5.102 1.00 25.00 C ATOM 605 OG1 THR A 39 22.608 1.203 5.697 1.00 25.00 O ATOM 606 CG2 THR A 39 23.436 -0.983 6.177 1.00 25.00 C ATOM 0 H THR A 39 24.140 -1.888 3.963 1.00 25.00 H new ATOM 0 HA THR A 39 23.698 0.787 3.214 1.00 25.00 H new ATOM 0 HB THR A 39 22.155 -0.485 4.582 1.00 25.00 H new ATOM 0 HG1 THR A 39 21.873 1.595 5.181 1.00 25.00 H new ATOM 0 HG21 THR A 39 22.628 -1.112 6.897 1.00 25.00 H new ATOM 0 HG22 THR A 39 23.684 -1.947 5.734 1.00 25.00 H new ATOM 0 HG23 THR A 39 24.313 -0.580 6.684 1.00 25.00 H new ATOM 614 N GLN A 40 25.219 2.281 4.575 1.00 25.00 N ATOM 615 CA GLN A 40 26.264 3.175 5.113 1.00 25.00 C ATOM 616 C GLN A 40 27.659 2.888 4.540 1.00 25.00 C ATOM 617 O GLN A 40 28.662 3.337 5.079 1.00 25.00 O ATOM 618 CB GLN A 40 26.316 3.125 6.651 1.00 25.00 C ATOM 619 CG GLN A 40 24.961 3.056 7.327 1.00 25.00 C ATOM 620 CD GLN A 40 25.039 3.389 8.803 1.00 25.00 C ATOM 621 OE1 GLN A 40 25.358 4.501 9.179 1.00 25.00 O ATOM 622 NE2 GLN A 40 24.758 2.425 9.641 1.00 25.00 N ATOM 0 H GLN A 40 24.459 2.780 4.112 1.00 25.00 H new ATOM 0 HA GLN A 40 25.979 4.178 4.795 1.00 25.00 H new ATOM 0 HB2 GLN A 40 26.903 2.258 6.953 1.00 25.00 H new ATOM 0 HB3 GLN A 40 26.843 4.008 7.012 1.00 25.00 H new ATOM 0 HG2 GLN A 40 24.277 3.748 6.836 1.00 25.00 H new ATOM 0 HG3 GLN A 40 24.546 2.056 7.204 1.00 25.00 H new ATOM 0 HE21 GLN A 40 24.494 1.505 9.290 1.00 25.00 H new ATOM 0 HE22 GLN A 40 24.803 2.594 10.646 1.00 25.00 H new ATOM 631 N GLY A 41 27.714 2.120 3.456 1.00 25.00 N ATOM 632 CA GLY A 41 28.987 1.737 2.872 1.00 25.00 C ATOM 633 C GLY A 41 29.602 0.565 3.615 1.00 25.00 C ATOM 634 O GLY A 41 30.778 0.255 3.441 1.00 25.00 O ATOM 0 H GLY A 41 26.895 1.755 2.970 1.00 25.00 H new ATOM 0 HA2 GLY A 41 28.844 1.472 1.824 1.00 25.00 H new ATOM 0 HA3 GLY A 41 29.671 2.585 2.896 1.00 25.00 H new ATOM 638 N LEU A 42 28.811 -0.086 4.458 1.00 25.00 N ATOM 639 CA LEU A 42 29.272 -1.218 5.233 1.00 25.00 C ATOM 640 C LEU A 42 29.017 -2.469 4.413 1.00 25.00 C ATOM 641 O LEU A 42 27.974 -3.104 4.528 1.00 25.00 O ATOM 642 CB LEU A 42 28.514 -1.281 6.556 1.00 25.00 C ATOM 643 CG LEU A 42 28.598 -0.043 7.451 1.00 25.00 C ATOM 644 CD1 LEU A 42 27.532 -0.146 8.522 1.00 25.00 C ATOM 645 CD2 LEU A 42 29.955 0.081 8.085 1.00 25.00 C ATOM 0 H LEU A 42 27.834 0.159 4.620 1.00 25.00 H new ATOM 0 HA LEU A 42 30.335 -1.128 5.459 1.00 25.00 H new ATOM 0 HB2 LEU A 42 27.464 -1.474 6.338 1.00 25.00 H new ATOM 0 HB3 LEU A 42 28.885 -2.136 7.121 1.00 25.00 H new ATOM 0 HG LEU A 42 28.437 0.847 6.842 1.00 25.00 H new ATOM 0 HD11 LEU A 42 27.580 0.730 9.168 1.00 25.00 H new ATOM 0 HD12 LEU A 42 26.549 -0.198 8.053 1.00 25.00 H new ATOM 0 HD13 LEU A 42 27.699 -1.044 9.116 1.00 25.00 H new ATOM 0 HD21 LEU A 42 29.983 0.970 8.715 1.00 25.00 H new ATOM 0 HD22 LEU A 42 30.154 -0.801 8.694 1.00 25.00 H new ATOM 0 HD23 LEU A 42 30.714 0.164 7.307 1.00 25.00 H new ATOM 657 N ASP A 43 29.957 -2.795 3.549 1.00 25.00 N ATOM 658 CA ASP A 43 29.815 -3.958 2.675 1.00 25.00 C ATOM 659 C ASP A 43 29.551 -5.209 3.501 1.00 25.00 C ATOM 660 O ASP A 43 30.247 -5.496 4.481 1.00 25.00 O ATOM 661 CB ASP A 43 31.072 -4.181 1.844 1.00 25.00 C ATOM 662 CG ASP A 43 31.145 -3.271 0.632 1.00 25.00 C ATOM 663 OD1 ASP A 43 30.147 -3.192 -0.116 1.00 25.00 O ATOM 664 OD2 ASP A 43 32.224 -2.687 0.390 1.00 25.00 O ATOM 0 H ASP A 43 30.827 -2.277 3.428 1.00 25.00 H new ATOM 0 HA ASP A 43 28.975 -3.764 2.008 1.00 25.00 H new ATOM 0 HB2 ASP A 43 31.949 -4.016 2.469 1.00 25.00 H new ATOM 0 HB3 ASP A 43 31.105 -5.220 1.515 1.00 25.00 H new ATOM 669 N GLY A 44 28.525 -5.951 3.113 1.00 25.00 N ATOM 670 CA GLY A 44 28.170 -7.170 3.819 1.00 25.00 C ATOM 671 C GLY A 44 27.177 -6.965 4.948 1.00 25.00 C ATOM 672 O GLY A 44 26.576 -7.940 5.402 1.00 25.00 O ATOM 0 H GLY A 44 27.927 -5.731 2.317 1.00 25.00 H new ATOM 0 HA2 GLY A 44 27.752 -7.881 3.107 1.00 25.00 H new ATOM 0 HA3 GLY A 44 29.077 -7.620 4.224 1.00 25.00 H new ATOM 676 N TRP A 45 26.967 -5.734 5.391 1.00 25.00 N ATOM 677 CA TRP A 45 25.984 -5.445 6.419 1.00 25.00 C ATOM 678 C TRP A 45 24.677 -5.073 5.728 1.00 25.00 C ATOM 679 O TRP A 45 24.657 -4.241 4.835 1.00 25.00 O ATOM 680 CB TRP A 45 26.495 -4.276 7.255 1.00 25.00 C ATOM 681 CG TRP A 45 27.550 -4.690 8.248 1.00 25.00 C ATOM 682 CD1 TRP A 45 28.887 -4.457 8.187 1.00 25.00 C ATOM 683 CD2 TRP A 45 27.347 -5.411 9.472 1.00 25.00 C ATOM 684 NE1 TRP A 45 29.536 -4.948 9.279 1.00 25.00 N ATOM 685 CE2 TRP A 45 28.621 -5.549 10.098 1.00 25.00 C ATOM 686 CE3 TRP A 45 26.217 -5.945 10.109 1.00 25.00 C ATOM 687 CZ2 TRP A 45 28.777 -6.203 11.336 1.00 25.00 C ATOM 688 CZ3 TRP A 45 26.369 -6.591 11.352 1.00 25.00 C ATOM 689 CH2 TRP A 45 27.647 -6.715 11.951 1.00 25.00 C ATOM 0 H TRP A 45 27.470 -4.915 5.050 1.00 25.00 H new ATOM 0 HA TRP A 45 25.820 -6.305 7.069 1.00 25.00 H new ATOM 0 HB2 TRP A 45 26.904 -3.513 6.593 1.00 25.00 H new ATOM 0 HB3 TRP A 45 25.659 -3.822 7.787 1.00 25.00 H new ATOM 0 HD1 TRP A 45 29.376 -3.945 7.372 1.00 25.00 H new ATOM 0 HE1 TRP A 45 30.538 -4.879 9.456 1.00 25.00 H new ATOM 0 HE3 TRP A 45 25.242 -5.862 9.652 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 29.751 -6.302 11.793 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 25.502 -6.996 11.853 1.00 25.00 H new ATOM 0 HH2 TRP A 45 27.741 -7.217 12.903 1.00 25.00 H new ATOM 700 N TRP A 46 23.580 -5.696 6.125 1.00 25.00 N ATOM 701 CA TRP A 46 22.284 -5.433 5.500 1.00 25.00 C ATOM 702 C TRP A 46 21.376 -4.764 6.516 1.00 25.00 C ATOM 703 O TRP A 46 21.200 -5.272 7.615 1.00 25.00 O ATOM 704 CB TRP A 46 21.644 -6.740 4.993 1.00 25.00 C ATOM 705 CG TRP A 46 22.442 -7.441 3.899 1.00 25.00 C ATOM 706 CD1 TRP A 46 23.593 -7.010 3.308 1.00 25.00 C ATOM 707 CD2 TRP A 46 22.156 -8.714 3.278 1.00 25.00 C ATOM 708 NE1 TRP A 46 24.048 -7.894 2.381 1.00 25.00 N ATOM 709 CE2 TRP A 46 23.200 -8.965 2.334 1.00 25.00 C ATOM 710 CE3 TRP A 46 21.128 -9.674 3.424 1.00 25.00 C ATOM 711 CZ2 TRP A 46 23.243 -10.140 1.552 1.00 25.00 C ATOM 712 CZ3 TRP A 46 21.185 -10.863 2.653 1.00 25.00 C ATOM 713 CH2 TRP A 46 22.238 -11.076 1.722 1.00 25.00 C ATOM 0 H TRP A 46 23.555 -6.387 6.875 1.00 25.00 H new ATOM 0 HA TRP A 46 22.426 -4.776 4.642 1.00 25.00 H new ATOM 0 HB2 TRP A 46 21.523 -7.423 5.834 1.00 25.00 H new ATOM 0 HB3 TRP A 46 20.645 -6.520 4.615 1.00 25.00 H new ATOM 0 HD1 TRP A 46 24.084 -6.078 3.548 1.00 25.00 H new ATOM 0 HE1 TRP A 46 24.887 -7.777 1.812 1.00 25.00 H new ATOM 0 HE3 TRP A 46 20.313 -9.504 4.112 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 24.039 -10.304 0.840 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 20.420 -11.615 2.775 1.00 25.00 H new ATOM 0 HH2 TRP A 46 22.254 -11.984 1.137 1.00 25.00 H new ATOM 724 N LEU A 47 20.809 -3.625 6.156 1.00 25.00 N ATOM 725 CA LEU A 47 19.895 -2.913 7.036 1.00 25.00 C ATOM 726 C LEU A 47 18.591 -3.666 7.021 1.00 25.00 C ATOM 727 O LEU A 47 17.994 -3.842 5.966 1.00 25.00 O ATOM 728 CB LEU A 47 19.653 -1.494 6.523 1.00 25.00 C ATOM 729 CG LEU A 47 18.667 -0.628 7.317 1.00 25.00 C ATOM 730 CD1 LEU A 47 19.087 -0.478 8.768 1.00 25.00 C ATOM 731 CD2 LEU A 47 18.542 0.746 6.665 1.00 25.00 C ATOM 0 H LEU A 47 20.966 -3.171 5.256 1.00 25.00 H new ATOM 0 HA LEU A 47 20.314 -2.849 8.040 1.00 25.00 H new ATOM 0 HB2 LEU A 47 20.612 -0.976 6.493 1.00 25.00 H new ATOM 0 HB3 LEU A 47 19.295 -1.561 5.496 1.00 25.00 H new ATOM 0 HG LEU A 47 17.700 -1.130 7.304 1.00 25.00 H new ATOM 0 HD11 LEU A 47 18.362 0.142 9.294 1.00 25.00 H new ATOM 0 HD12 LEU A 47 19.132 -1.461 9.237 1.00 25.00 H new ATOM 0 HD13 LEU A 47 20.069 -0.008 8.816 1.00 25.00 H new ATOM 0 HD21 LEU A 47 17.840 1.356 7.234 1.00 25.00 H new ATOM 0 HD22 LEU A 47 19.517 1.232 6.651 1.00 25.00 H new ATOM 0 HD23 LEU A 47 18.179 0.632 5.644 1.00 25.00 H new ATOM 743 N CYS A 48 18.149 -4.118 8.177 1.00 25.00 N ATOM 744 CA CYS A 48 16.900 -4.838 8.279 1.00 25.00 C ATOM 745 C CYS A 48 16.071 -4.308 9.428 1.00 25.00 C ATOM 746 O CYS A 48 16.540 -3.513 10.237 1.00 25.00 O ATOM 747 CB CYS A 48 17.166 -6.339 8.462 1.00 25.00 C ATOM 748 SG CYS A 48 18.344 -7.033 7.270 1.00 25.00 S ATOM 0 H CYS A 48 18.641 -3.998 9.062 1.00 25.00 H new ATOM 0 HA CYS A 48 16.341 -4.690 7.355 1.00 25.00 H new ATOM 0 HB2 CYS A 48 17.543 -6.510 9.470 1.00 25.00 H new ATOM 0 HB3 CYS A 48 16.222 -6.877 8.379 1.00 25.00 H new ATOM 0 HG CYS A 48 19.485 -6.420 7.381 1.00 25.00 H new ATOM 754 N SER A 49 14.835 -4.763 9.491 1.00 25.00 N ATOM 755 CA SER A 49 13.926 -4.407 10.563 1.00 25.00 C ATOM 756 C SER A 49 13.345 -5.692 11.141 1.00 25.00 C ATOM 757 O SER A 49 12.917 -6.588 10.402 1.00 25.00 O ATOM 758 CB SER A 49 12.843 -3.463 10.032 1.00 25.00 C ATOM 759 OG SER A 49 11.567 -4.080 9.971 1.00 25.00 O ATOM 0 H SER A 49 14.431 -5.393 8.797 1.00 25.00 H new ATOM 0 HA SER A 49 14.446 -3.875 11.360 1.00 25.00 H new ATOM 0 HB2 SER A 49 12.787 -2.583 10.672 1.00 25.00 H new ATOM 0 HB3 SER A 49 13.123 -3.116 9.037 1.00 25.00 H new ATOM 0 HG SER A 49 10.910 -3.439 9.628 1.00 25.00 H new ATOM 765 N LEU A 50 13.406 -5.809 12.457 1.00 25.00 N ATOM 766 CA LEU A 50 12.964 -6.999 13.173 1.00 25.00 C ATOM 767 C LEU A 50 12.329 -6.543 14.473 1.00 25.00 C ATOM 768 O LEU A 50 12.906 -5.727 15.176 1.00 25.00 O ATOM 769 CB LEU A 50 14.168 -7.889 13.486 1.00 25.00 C ATOM 770 CG LEU A 50 13.839 -9.197 14.212 1.00 25.00 C ATOM 771 CD1 LEU A 50 14.033 -10.367 13.298 1.00 25.00 C ATOM 772 CD2 LEU A 50 14.711 -9.337 15.447 1.00 25.00 C ATOM 0 H LEU A 50 13.767 -5.075 13.066 1.00 25.00 H new ATOM 0 HA LEU A 50 12.254 -7.565 12.570 1.00 25.00 H new ATOM 0 HB2 LEU A 50 14.676 -8.128 12.552 1.00 25.00 H new ATOM 0 HB3 LEU A 50 14.871 -7.321 14.095 1.00 25.00 H new ATOM 0 HG LEU A 50 12.794 -9.175 14.520 1.00 25.00 H new ATOM 0 HD11 LEU A 50 13.795 -11.288 13.830 1.00 25.00 H new ATOM 0 HD12 LEU A 50 13.376 -10.267 12.434 1.00 25.00 H new ATOM 0 HD13 LEU A 50 15.070 -10.399 12.963 1.00 25.00 H new ATOM 0 HD21 LEU A 50 14.471 -10.269 15.958 1.00 25.00 H new ATOM 0 HD22 LEU A 50 15.760 -9.344 15.153 1.00 25.00 H new ATOM 0 HD23 LEU A 50 14.528 -8.498 16.118 1.00 25.00 H new ATOM 784 N HIS A 51 11.124 -7.028 14.754 1.00 25.00 N ATOM 785 CA HIS A 51 10.377 -6.681 15.977 1.00 25.00 C ATOM 786 C HIS A 51 10.194 -5.159 16.132 1.00 25.00 C ATOM 787 O HIS A 51 10.137 -4.641 17.239 1.00 25.00 O ATOM 788 CB HIS A 51 11.083 -7.247 17.227 1.00 25.00 C ATOM 789 CG HIS A 51 11.302 -8.730 17.182 1.00 25.00 C ATOM 790 ND1 HIS A 51 12.190 -9.403 17.984 1.00 25.00 N ATOM 791 CD2 HIS A 51 10.728 -9.695 16.409 1.00 25.00 C ATOM 792 CE1 HIS A 51 12.133 -10.697 17.677 1.00 25.00 C ATOM 793 NE2 HIS A 51 11.253 -10.931 16.725 1.00 25.00 N ATOM 0 H HIS A 51 10.628 -7.677 14.142 1.00 25.00 H new ATOM 0 HA HIS A 51 9.389 -7.132 15.882 1.00 25.00 H new ATOM 0 HB2 HIS A 51 12.046 -6.751 17.344 1.00 25.00 H new ATOM 0 HB3 HIS A 51 10.490 -7.004 18.109 1.00 25.00 H new ATOM 0 HD2 HIS A 51 9.972 -9.518 15.658 1.00 25.00 H new ATOM 0 HE1 HIS A 51 12.734 -11.460 18.150 1.00 25.00 H new ATOM 0 HE2 HIS A 51 11.012 -11.831 16.311 1.00 25.00 H new ATOM 801 N GLY A 52 10.115 -4.447 15.012 1.00 25.00 N ATOM 802 CA GLY A 52 9.948 -3.000 15.047 1.00 25.00 C ATOM 803 C GLY A 52 11.225 -2.223 15.327 1.00 25.00 C ATOM 804 O GLY A 52 11.185 -1.010 15.506 1.00 25.00 O ATOM 0 H GLY A 52 10.164 -4.846 14.075 1.00 25.00 H new ATOM 0 HA2 GLY A 52 9.540 -2.671 14.091 1.00 25.00 H new ATOM 0 HA3 GLY A 52 9.211 -2.751 15.811 1.00 25.00 H new ATOM 808 N ARG A 53 12.361 -2.906 15.347 1.00 25.00 N ATOM 809 CA ARG A 53 13.653 -2.280 15.607 1.00 25.00 C ATOM 810 C ARG A 53 14.422 -2.387 14.316 1.00 25.00 C ATOM 811 O ARG A 53 14.378 -3.415 13.659 1.00 25.00 O ATOM 812 CB ARG A 53 14.379 -3.035 16.731 1.00 25.00 C ATOM 813 CG ARG A 53 15.261 -2.177 17.647 1.00 25.00 C ATOM 814 CD ARG A 53 16.607 -1.816 17.019 1.00 25.00 C ATOM 815 NE ARG A 53 17.572 -1.386 18.042 1.00 25.00 N ATOM 816 CZ ARG A 53 18.838 -1.046 17.814 1.00 25.00 C ATOM 817 NH1 ARG A 53 19.367 -1.023 16.618 1.00 25.00 N ATOM 818 NH2 ARG A 53 19.588 -0.721 18.821 1.00 25.00 N ATOM 0 H ARG A 53 12.414 -3.911 15.183 1.00 25.00 H new ATOM 0 HA ARG A 53 13.551 -1.242 15.925 1.00 25.00 H new ATOM 0 HB2 ARG A 53 13.633 -3.540 17.345 1.00 25.00 H new ATOM 0 HB3 ARG A 53 15.000 -3.810 16.281 1.00 25.00 H new ATOM 0 HG2 ARG A 53 14.728 -1.261 17.900 1.00 25.00 H new ATOM 0 HG3 ARG A 53 15.435 -2.713 18.580 1.00 25.00 H new ATOM 0 HD2 ARG A 53 17.003 -2.677 16.481 1.00 25.00 H new ATOM 0 HD3 ARG A 53 16.468 -1.019 16.288 1.00 25.00 H new ATOM 0 HE ARG A 53 17.243 -1.345 19.007 1.00 25.00 H new ATOM 0 HH11 ARG A 53 18.803 -1.273 15.806 1.00 25.00 H new ATOM 0 HH12 ARG A 53 20.344 -0.755 16.497 1.00 25.00 H new ATOM 0 HH21 ARG A 53 19.205 -0.729 19.766 1.00 25.00 H new ATOM 0 HH22 ARG A 53 20.561 -0.457 18.668 1.00 25.00 H new ATOM 832 N GLN A 54 15.107 -1.327 13.943 1.00 25.00 N ATOM 833 CA GLN A 54 15.896 -1.317 12.718 1.00 25.00 C ATOM 834 C GLN A 54 17.366 -1.452 13.071 1.00 25.00 C ATOM 835 O GLN A 54 17.795 -0.970 14.116 1.00 25.00 O ATOM 836 CB GLN A 54 15.661 -0.012 11.967 1.00 25.00 C ATOM 837 CG GLN A 54 14.960 -0.211 10.658 1.00 25.00 C ATOM 838 CD GLN A 54 14.659 1.091 9.949 1.00 25.00 C ATOM 839 OE1 GLN A 54 13.511 1.427 9.723 1.00 25.00 O ATOM 840 NE2 GLN A 54 15.684 1.814 9.579 1.00 25.00 N ATOM 0 H GLN A 54 15.137 -0.454 14.470 1.00 25.00 H new ATOM 0 HA GLN A 54 15.597 -2.150 12.082 1.00 25.00 H new ATOM 0 HB2 GLN A 54 15.071 0.659 12.591 1.00 25.00 H new ATOM 0 HB3 GLN A 54 16.619 0.477 11.790 1.00 25.00 H new ATOM 0 HG2 GLN A 54 15.577 -0.837 10.013 1.00 25.00 H new ATOM 0 HG3 GLN A 54 14.028 -0.750 10.829 1.00 25.00 H new ATOM 0 HE21 GLN A 54 16.632 1.499 9.787 1.00 25.00 H new ATOM 0 HE22 GLN A 54 15.536 2.693 9.083 1.00 25.00 H new ATOM 849 N GLY A 55 18.133 -2.090 12.204 1.00 25.00 N ATOM 850 CA GLY A 55 19.558 -2.226 12.436 1.00 25.00 C ATOM 851 C GLY A 55 20.260 -3.052 11.381 1.00 25.00 C ATOM 852 O GLY A 55 19.607 -3.665 10.541 1.00 25.00 O ATOM 0 H GLY A 55 17.796 -2.518 11.341 1.00 25.00 H new ATOM 0 HA2 GLY A 55 20.010 -1.235 12.471 1.00 25.00 H new ATOM 0 HA3 GLY A 55 19.718 -2.684 13.412 1.00 25.00 H new ATOM 856 N ILE A 56 21.584 -3.053 11.401 1.00 25.00 N ATOM 857 CA ILE A 56 22.375 -3.800 10.431 1.00 25.00 C ATOM 858 C ILE A 56 22.478 -5.259 10.866 1.00 25.00 C ATOM 859 O ILE A 56 22.309 -5.593 12.043 1.00 25.00 O ATOM 860 CB ILE A 56 23.794 -3.169 10.240 1.00 25.00 C ATOM 861 CG1 ILE A 56 24.600 -3.252 11.554 1.00 25.00 C ATOM 862 CG2 ILE A 56 23.638 -1.699 9.810 1.00 25.00 C ATOM 863 CD1 ILE A 56 25.997 -2.657 11.481 1.00 25.00 C ATOM 0 H ILE A 56 22.139 -2.540 12.085 1.00 25.00 H new ATOM 0 HA ILE A 56 21.872 -3.753 9.465 1.00 25.00 H new ATOM 0 HB ILE A 56 24.333 -3.721 9.470 1.00 25.00 H new ATOM 0 HG12 ILE A 56 24.043 -2.741 12.339 1.00 25.00 H new ATOM 0 HG13 ILE A 56 24.680 -4.298 11.850 1.00 25.00 H new ATOM 0 HG21 ILE A 56 24.623 -1.253 9.675 1.00 25.00 H new ATOM 0 HG22 ILE A 56 23.086 -1.651 8.871 1.00 25.00 H new ATOM 0 HG23 ILE A 56 23.094 -1.151 10.579 1.00 25.00 H new ATOM 0 HD11 ILE A 56 26.488 -2.760 12.449 1.00 25.00 H new ATOM 0 HD12 ILE A 56 26.577 -3.182 10.722 1.00 25.00 H new ATOM 0 HD13 ILE A 56 25.929 -1.601 11.219 1.00 25.00 H new ATOM 875 N VAL A 57 22.698 -6.124 9.894 1.00 25.00 N ATOM 876 CA VAL A 57 22.778 -7.567 10.114 1.00 25.00 C ATOM 877 C VAL A 57 23.867 -8.124 9.205 1.00 25.00 C ATOM 878 O VAL A 57 23.963 -7.713 8.050 1.00 25.00 O ATOM 879 CB VAL A 57 21.443 -8.252 9.713 1.00 25.00 C ATOM 880 CG1 VAL A 57 21.519 -9.741 9.843 1.00 25.00 C ATOM 881 CG2 VAL A 57 20.282 -7.692 10.533 1.00 25.00 C ATOM 0 H VAL A 57 22.828 -5.849 8.920 1.00 25.00 H new ATOM 0 HA VAL A 57 22.987 -7.756 11.167 1.00 25.00 H new ATOM 0 HB VAL A 57 21.264 -8.029 8.661 1.00 25.00 H new ATOM 0 HG11 VAL A 57 20.565 -10.181 9.553 1.00 25.00 H new ATOM 0 HG12 VAL A 57 22.307 -10.123 9.194 1.00 25.00 H new ATOM 0 HG13 VAL A 57 21.741 -10.005 10.877 1.00 25.00 H new ATOM 0 HG21 VAL A 57 19.356 -8.185 10.237 1.00 25.00 H new ATOM 0 HG22 VAL A 57 20.465 -7.871 11.592 1.00 25.00 H new ATOM 0 HG23 VAL A 57 20.195 -6.620 10.356 1.00 25.00 H new ATOM 891 N PRO A 58 24.682 -9.075 9.689 1.00 25.00 N ATOM 892 CA PRO A 58 25.662 -9.662 8.776 1.00 25.00 C ATOM 893 C PRO A 58 24.970 -10.505 7.698 1.00 25.00 C ATOM 894 O PRO A 58 24.281 -11.491 7.986 1.00 25.00 O ATOM 895 CB PRO A 58 26.535 -10.502 9.712 1.00 25.00 C ATOM 896 CG PRO A 58 25.638 -10.875 10.828 1.00 25.00 C ATOM 897 CD PRO A 58 24.741 -9.692 11.026 1.00 25.00 C ATOM 0 HA PRO A 58 26.242 -8.929 8.216 1.00 25.00 H new ATOM 0 HB2 PRO A 58 26.924 -11.385 9.205 1.00 25.00 H new ATOM 0 HB3 PRO A 58 27.395 -9.934 10.068 1.00 25.00 H new ATOM 0 HG2 PRO A 58 25.063 -11.769 10.588 1.00 25.00 H new ATOM 0 HG3 PRO A 58 26.205 -11.094 11.732 1.00 25.00 H new ATOM 0 HD2 PRO A 58 23.752 -9.992 11.373 1.00 25.00 H new ATOM 0 HD3 PRO A 58 25.144 -9.003 11.768 1.00 25.00 H new ATOM 905 N GLY A 59 25.121 -10.092 6.449 1.00 25.00 N ATOM 906 CA GLY A 59 24.423 -10.728 5.342 1.00 25.00 C ATOM 907 C GLY A 59 24.797 -12.175 5.126 1.00 25.00 C ATOM 908 O GLY A 59 24.011 -12.955 4.608 1.00 25.00 O ATOM 0 H GLY A 59 25.724 -9.316 6.176 1.00 25.00 H new ATOM 0 HA2 GLY A 59 23.349 -10.664 5.519 1.00 25.00 H new ATOM 0 HA3 GLY A 59 24.629 -10.170 4.428 1.00 25.00 H new ATOM 912 N ASN A 60 25.982 -12.567 5.570 1.00 25.00 N ATOM 913 CA ASN A 60 26.425 -13.956 5.430 1.00 25.00 C ATOM 914 C ASN A 60 25.761 -14.902 6.441 1.00 25.00 C ATOM 915 O ASN A 60 25.948 -16.114 6.368 1.00 25.00 O ATOM 916 CB ASN A 60 27.959 -14.051 5.504 1.00 25.00 C ATOM 917 CG ASN A 60 28.515 -13.714 6.868 1.00 25.00 C ATOM 918 OD1 ASN A 60 27.820 -13.227 7.744 1.00 25.00 O ATOM 919 ND2 ASN A 60 29.784 -13.934 7.033 1.00 25.00 N ATOM 0 H ASN A 60 26.654 -11.951 6.028 1.00 25.00 H new ATOM 0 HA ASN A 60 26.103 -14.289 4.443 1.00 25.00 H new ATOM 0 HB2 ASN A 60 28.267 -15.061 5.234 1.00 25.00 H new ATOM 0 HB3 ASN A 60 28.394 -13.377 4.766 1.00 25.00 H new ATOM 0 HD21 ASN A 60 30.232 -13.698 7.919 1.00 25.00 H new ATOM 0 HD22 ASN A 60 30.333 -14.343 6.277 1.00 25.00 H new ATOM 926 N ARG A 61 24.929 -14.366 7.331 1.00 25.00 N ATOM 927 CA ARG A 61 24.109 -15.192 8.222 1.00 25.00 C ATOM 928 C ARG A 61 22.645 -15.094 7.810 1.00 25.00 C ATOM 929 O ARG A 61 21.766 -15.621 8.499 1.00 25.00 O ATOM 930 CB ARG A 61 24.268 -14.744 9.678 1.00 25.00 C ATOM 931 CG ARG A 61 25.681 -14.894 10.214 1.00 25.00 C ATOM 932 CD ARG A 61 25.703 -14.660 11.713 1.00 25.00 C ATOM 933 NE ARG A 61 27.051 -14.843 12.273 1.00 25.00 N ATOM 934 CZ ARG A 61 27.351 -14.853 13.567 1.00 25.00 C ATOM 935 NH1 ARG A 61 26.452 -14.721 14.503 1.00 25.00 N ATOM 936 NH2 ARG A 61 28.594 -15.017 13.920 1.00 25.00 N ATOM 0 H ARG A 61 24.803 -13.362 7.457 1.00 25.00 H new ATOM 0 HA ARG A 61 24.443 -16.226 8.141 1.00 25.00 H new ATOM 0 HB2 ARG A 61 23.966 -13.700 9.762 1.00 25.00 H new ATOM 0 HB3 ARG A 61 23.589 -15.324 10.303 1.00 25.00 H new ATOM 0 HG2 ARG A 61 26.059 -15.892 9.989 1.00 25.00 H new ATOM 0 HG3 ARG A 61 26.343 -14.184 9.718 1.00 25.00 H new ATOM 0 HD2 ARG A 61 25.353 -13.650 11.929 1.00 25.00 H new ATOM 0 HD3 ARG A 61 25.011 -15.348 12.199 1.00 25.00 H new ATOM 0 HE ARG A 61 27.818 -14.973 11.614 1.00 25.00 H new ATOM 0 HH11 ARG A 61 25.470 -14.604 14.254 1.00 25.00 H new ATOM 0 HH12 ARG A 61 26.731 -14.735 15.484 1.00 25.00 H new ATOM 0 HH21 ARG A 61 29.315 -15.135 13.208 1.00 25.00 H new ATOM 0 HH22 ARG A 61 28.846 -15.028 14.908 1.00 25.00 H new ATOM 950 N LEU A 62 22.384 -14.431 6.690 1.00 25.00 N ATOM 951 CA LEU A 62 21.024 -14.241 6.198 1.00 25.00 C ATOM 952 C LEU A 62 20.802 -14.848 4.833 1.00 25.00 C ATOM 953 O LEU A 62 21.707 -14.964 4.018 1.00 25.00 O ATOM 954 CB LEU A 62 20.695 -12.757 6.088 1.00 25.00 C ATOM 955 CG LEU A 62 19.973 -12.138 7.282 1.00 25.00 C ATOM 956 CD1 LEU A 62 19.722 -10.682 6.966 1.00 25.00 C ATOM 957 CD2 LEU A 62 18.653 -12.830 7.607 1.00 25.00 C ATOM 0 H LEU A 62 23.103 -14.012 6.100 1.00 25.00 H new ATOM 0 HA LEU A 62 20.379 -14.741 6.921 1.00 25.00 H new ATOM 0 HB2 LEU A 62 21.625 -12.211 5.928 1.00 25.00 H new ATOM 0 HB3 LEU A 62 20.081 -12.607 5.200 1.00 25.00 H new ATOM 0 HG LEU A 62 20.605 -12.256 8.162 1.00 25.00 H new ATOM 0 HD11 LEU A 62 19.206 -10.212 7.803 1.00 25.00 H new ATOM 0 HD12 LEU A 62 20.673 -10.177 6.796 1.00 25.00 H new ATOM 0 HD13 LEU A 62 19.106 -10.605 6.070 1.00 25.00 H new ATOM 0 HD21 LEU A 62 18.189 -12.344 8.465 1.00 25.00 H new ATOM 0 HD22 LEU A 62 17.986 -12.764 6.747 1.00 25.00 H new ATOM 0 HD23 LEU A 62 18.840 -13.878 7.841 1.00 25.00 H new ATOM 969 N LYS A 63 19.552 -15.186 4.579 1.00 25.00 N ATOM 970 CA LYS A 63 19.133 -15.685 3.274 1.00 25.00 C ATOM 971 C LYS A 63 17.928 -14.915 2.816 1.00 25.00 C ATOM 972 O LYS A 63 16.888 -14.942 3.465 1.00 25.00 O ATOM 973 CB LYS A 63 18.784 -17.173 3.368 1.00 25.00 C ATOM 974 CG LYS A 63 18.180 -17.771 2.092 1.00 25.00 C ATOM 975 CD LYS A 63 17.997 -19.283 2.214 1.00 25.00 C ATOM 976 CE LYS A 63 16.968 -19.664 3.288 1.00 25.00 C ATOM 977 NZ LYS A 63 16.869 -21.151 3.434 1.00 25.00 N ATOM 0 H LYS A 63 18.799 -15.125 5.264 1.00 25.00 H new ATOM 0 HA LYS A 63 19.947 -15.557 2.561 1.00 25.00 H new ATOM 0 HB2 LYS A 63 19.687 -17.729 3.621 1.00 25.00 H new ATOM 0 HB3 LYS A 63 18.081 -17.316 4.188 1.00 25.00 H new ATOM 0 HG2 LYS A 63 17.217 -17.302 1.890 1.00 25.00 H new ATOM 0 HG3 LYS A 63 18.827 -17.549 1.243 1.00 25.00 H new ATOM 0 HD2 LYS A 63 17.680 -19.687 1.252 1.00 25.00 H new ATOM 0 HD3 LYS A 63 18.955 -19.744 2.453 1.00 25.00 H new ATOM 0 HE2 LYS A 63 17.252 -19.220 4.242 1.00 25.00 H new ATOM 0 HE3 LYS A 63 15.993 -19.255 3.023 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 16.167 -21.382 4.166 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 16.576 -21.570 2.528 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 17.795 -21.535 3.709 1.00 25.00 H new ATOM 991 N ILE A 64 18.063 -14.256 1.681 1.00 25.00 N ATOM 992 CA ILE A 64 16.967 -13.499 1.098 1.00 25.00 C ATOM 993 C ILE A 64 15.916 -14.493 0.619 1.00 25.00 C ATOM 994 O ILE A 64 16.233 -15.439 -0.100 1.00 25.00 O ATOM 995 CB ILE A 64 17.461 -12.654 -0.107 1.00 25.00 C ATOM 996 CG1 ILE A 64 18.584 -11.677 0.307 1.00 25.00 C ATOM 997 CG2 ILE A 64 16.312 -11.869 -0.715 1.00 25.00 C ATOM 998 CD1 ILE A 64 18.175 -10.589 1.322 1.00 25.00 C ATOM 0 H ILE A 64 18.927 -14.229 1.139 1.00 25.00 H new ATOM 0 HA ILE A 64 16.554 -12.819 1.843 1.00 25.00 H new ATOM 0 HB ILE A 64 17.860 -13.349 -0.846 1.00 25.00 H new ATOM 0 HG12 ILE A 64 19.406 -12.254 0.730 1.00 25.00 H new ATOM 0 HG13 ILE A 64 18.966 -11.188 -0.589 1.00 25.00 H new ATOM 0 HG21 ILE A 64 16.678 -11.283 -1.558 1.00 25.00 H new ATOM 0 HG22 ILE A 64 15.542 -12.559 -1.060 1.00 25.00 H new ATOM 0 HG23 ILE A 64 15.890 -11.201 0.036 1.00 25.00 H new ATOM 0 HD11 ILE A 64 19.035 -9.958 1.545 1.00 25.00 H new ATOM 0 HD12 ILE A 64 17.377 -9.979 0.900 1.00 25.00 H new ATOM 0 HD13 ILE A 64 17.824 -11.061 2.240 1.00 25.00 H new ATOM 1010 N LEU A 65 14.675 -14.295 1.033 1.00 25.00 N ATOM 1011 CA LEU A 65 13.592 -15.188 0.651 1.00 25.00 C ATOM 1012 C LEU A 65 12.880 -14.656 -0.583 1.00 25.00 C ATOM 1013 O LEU A 65 11.928 -13.895 -0.487 1.00 25.00 O ATOM 1014 CB LEU A 65 12.591 -15.332 1.800 1.00 25.00 C ATOM 1015 CG LEU A 65 13.173 -15.846 3.121 1.00 25.00 C ATOM 1016 CD1 LEU A 65 12.066 -15.891 4.154 1.00 25.00 C ATOM 1017 CD2 LEU A 65 13.808 -17.230 2.970 1.00 25.00 C ATOM 0 H LEU A 65 14.392 -13.522 1.635 1.00 25.00 H new ATOM 0 HA LEU A 65 14.017 -16.166 0.424 1.00 25.00 H new ATOM 0 HB2 LEU A 65 12.129 -14.361 1.980 1.00 25.00 H new ATOM 0 HB3 LEU A 65 11.797 -16.009 1.485 1.00 25.00 H new ATOM 0 HG LEU A 65 13.963 -15.166 3.438 1.00 25.00 H new ATOM 0 HD11 LEU A 65 12.466 -16.255 5.100 1.00 25.00 H new ATOM 0 HD12 LEU A 65 11.658 -14.890 4.294 1.00 25.00 H new ATOM 0 HD13 LEU A 65 11.276 -16.560 3.812 1.00 25.00 H new ATOM 0 HD21 LEU A 65 14.207 -17.554 3.931 1.00 25.00 H new ATOM 0 HD22 LEU A 65 13.054 -17.941 2.632 1.00 25.00 H new ATOM 0 HD23 LEU A 65 14.615 -17.182 2.239 1.00 25.00 H new ATOM 1327 N PRO A 89 29.262 -18.280 10.559 1.00 25.00 N ATOM 1328 CA PRO A 89 30.413 -17.568 9.995 1.00 25.00 C ATOM 1329 C PRO A 89 30.644 -16.228 10.690 1.00 25.00 C ATOM 1330 O PRO A 89 29.731 -15.679 11.329 1.00 25.00 O ATOM 1331 CB PRO A 89 30.013 -17.378 8.532 1.00 25.00 C ATOM 1332 CG PRO A 89 28.531 -17.297 8.566 1.00 25.00 C ATOM 1333 CD PRO A 89 28.120 -18.286 9.625 1.00 25.00 C ATOM 0 HA PRO A 89 31.351 -18.109 10.118 1.00 25.00 H new ATOM 0 HB2 PRO A 89 30.452 -16.472 8.114 1.00 25.00 H new ATOM 0 HB3 PRO A 89 30.352 -18.210 7.915 1.00 25.00 H new ATOM 0 HG2 PRO A 89 28.195 -16.290 8.812 1.00 25.00 H new ATOM 0 HG3 PRO A 89 28.098 -17.550 7.598 1.00 25.00 H new ATOM 0 HD2 PRO A 89 27.196 -17.986 10.118 1.00 25.00 H new ATOM 0 HD3 PRO A 89 27.950 -19.277 9.205 1.00 25.00 H new ATOM 1341 N PRO A 90 31.867 -15.683 10.593 1.00 25.00 N ATOM 1342 CA PRO A 90 32.104 -14.419 11.298 1.00 25.00 C ATOM 1343 C PRO A 90 31.404 -13.251 10.616 1.00 25.00 C ATOM 1344 O PRO A 90 31.223 -13.249 9.401 1.00 25.00 O ATOM 1345 CB PRO A 90 33.627 -14.276 11.242 1.00 25.00 C ATOM 1346 CG PRO A 90 34.015 -14.970 9.987 1.00 25.00 C ATOM 1347 CD PRO A 90 33.069 -16.145 9.871 1.00 25.00 C ATOM 0 HA PRO A 90 31.710 -14.417 12.314 1.00 25.00 H new ATOM 0 HB2 PRO A 90 33.928 -13.228 11.227 1.00 25.00 H new ATOM 0 HB3 PRO A 90 34.102 -14.731 12.111 1.00 25.00 H new ATOM 0 HG2 PRO A 90 33.925 -14.307 9.127 1.00 25.00 H new ATOM 0 HG3 PRO A 90 35.052 -15.303 10.026 1.00 25.00 H new ATOM 0 HD2 PRO A 90 32.847 -16.382 8.830 1.00 25.00 H new ATOM 0 HD3 PRO A 90 33.488 -17.045 10.321 1.00 25.00 H new ATOM 1355 N LYS A 91 30.998 -12.266 11.401 1.00 25.00 N ATOM 1356 CA LYS A 91 30.363 -11.069 10.855 1.00 25.00 C ATOM 1357 C LYS A 91 31.464 -10.218 10.215 1.00 25.00 C ATOM 1358 O LYS A 91 32.621 -10.288 10.640 1.00 25.00 O ATOM 1359 CB LYS A 91 29.636 -10.290 11.969 1.00 25.00 C ATOM 1360 CG LYS A 91 30.511 -9.928 13.182 1.00 25.00 C ATOM 1361 CD LYS A 91 29.754 -9.110 14.244 1.00 25.00 C ATOM 1362 CE LYS A 91 28.635 -9.914 14.930 1.00 25.00 C ATOM 1363 NZ LYS A 91 28.002 -9.106 16.023 1.00 25.00 N ATOM 0 H LYS A 91 31.095 -12.268 12.416 1.00 25.00 H new ATOM 0 HA LYS A 91 29.614 -11.334 10.109 1.00 25.00 H new ATOM 0 HB2 LYS A 91 29.230 -9.372 11.545 1.00 25.00 H new ATOM 0 HB3 LYS A 91 28.789 -10.883 12.314 1.00 25.00 H new ATOM 0 HG2 LYS A 91 30.889 -10.843 13.637 1.00 25.00 H new ATOM 0 HG3 LYS A 91 31.377 -9.360 12.842 1.00 25.00 H new ATOM 0 HD2 LYS A 91 30.459 -8.761 14.998 1.00 25.00 H new ATOM 0 HD3 LYS A 91 29.324 -8.224 13.776 1.00 25.00 H new ATOM 0 HE2 LYS A 91 27.881 -10.198 14.196 1.00 25.00 H new ATOM 0 HE3 LYS A 91 29.043 -10.837 15.342 1.00 25.00 H new ATOM 0 HZ1 LYS A 91 27.185 -9.622 16.407 1.00 25.00 H new ATOM 0 HZ2 LYS A 91 28.696 -8.943 16.780 1.00 25.00 H new ATOM 0 HZ3 LYS A 91 27.686 -8.192 15.640 1.00 25.00 H new ATOM 1377 N PRO A 92 31.129 -9.426 9.181 1.00 25.00 N ATOM 1378 CA PRO A 92 32.162 -8.547 8.623 1.00 25.00 C ATOM 1379 C PRO A 92 32.528 -7.449 9.631 1.00 25.00 C ATOM 1380 O PRO A 92 31.786 -7.212 10.589 1.00 25.00 O ATOM 1381 CB PRO A 92 31.501 -8.000 7.350 1.00 25.00 C ATOM 1382 CG PRO A 92 30.058 -8.054 7.614 1.00 25.00 C ATOM 1383 CD PRO A 92 29.833 -9.246 8.497 1.00 25.00 C ATOM 0 HA PRO A 92 33.107 -9.045 8.404 1.00 25.00 H new ATOM 0 HB2 PRO A 92 31.826 -6.980 7.144 1.00 25.00 H new ATOM 0 HB3 PRO A 92 31.765 -8.601 6.480 1.00 25.00 H new ATOM 0 HG2 PRO A 92 29.718 -7.140 8.101 1.00 25.00 H new ATOM 0 HG3 PRO A 92 29.496 -8.148 6.685 1.00 25.00 H new ATOM 0 HD2 PRO A 92 29.026 -9.070 9.208 1.00 25.00 H new ATOM 0 HD3 PRO A 92 29.561 -10.128 7.917 1.00 25.00 H new