USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 489 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 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 17 GLN : amide:sc= -4.98! K(o=-5!,f=-3) USER MOD Single : A 18 ASN : amide:sc= -0.846 X(o=-0.85,f=-0.66) USER MOD Single : A 19 MET CE :methyl -162:sc= -0.168 (180deg=-0.71) USER MOD Single : A 26 LYS NZ :NH3+ -156:sc= -0.0904 (180deg=-0.507) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.625 USER MOD Single : A 37 SER OG : rot 180:sc= -0.0645 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.011 K(o=-0.011,f=-0.62) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0.61 K(o=0.61,f=0) USER MOD Single : A 49 HIS : no HE2:sc= 0.724 K(o=0.72,f=-3.6!) USER MOD Single : A 56 LYS NZ :NH3+ -171:sc=-0.00863 (180deg=-0.0884) USER MOD ----------------------------------------------------------------- ATOM 57 N ILE A 5 -11.733 -0.165 -0.392 1.00 0.04 N ATOM 58 CA ILE A 5 -10.489 0.603 -0.533 1.00 61.51 C ATOM 59 C ILE A 5 -9.254 -0.226 -0.138 1.00 23.10 C ATOM 60 O ILE A 5 -8.206 -0.139 -0.781 1.00 65.10 O ATOM 61 CB ILE A 5 -10.533 1.915 0.301 1.00 41.11 C ATOM 62 CG1 ILE A 5 -9.253 2.747 0.086 1.00 1.22 C ATOM 63 CG2 ILE A 5 -10.735 1.616 1.787 1.00 43.51 C ATOM 64 CD1 ILE A 5 -9.060 3.215 -1.344 1.00 60.53 C ATOM 0 HA ILE A 5 -10.403 0.862 -1.588 1.00 61.51 H new ATOM 0 HB ILE A 5 -11.384 2.500 -0.046 1.00 41.11 H new ATOM 0 HG12 ILE A 5 -9.282 3.617 0.742 1.00 1.22 H new ATOM 0 HG13 ILE A 5 -8.390 2.152 0.383 1.00 1.22 H new ATOM 0 HG21 ILE A 5 -10.762 2.551 2.346 1.00 43.51 H new ATOM 0 HG22 ILE A 5 -11.675 1.083 1.926 1.00 43.51 H new ATOM 0 HG23 ILE A 5 -9.912 1.000 2.149 1.00 43.51 H new ATOM 0 HD11 ILE A 5 -8.139 3.793 -1.416 1.00 60.53 H new ATOM 0 HD12 ILE A 5 -8.998 2.350 -2.005 1.00 60.53 H new ATOM 0 HD13 ILE A 5 -9.904 3.838 -1.640 1.00 60.53 H new ATOM 76 N VAL A 6 -9.388 -1.041 0.909 1.00 70.31 N ATOM 77 CA VAL A 6 -8.294 -1.914 1.356 1.00 45.10 C ATOM 78 C VAL A 6 -7.859 -2.869 0.232 1.00 15.15 C ATOM 79 O VAL A 6 -6.670 -3.022 -0.053 1.00 70.13 O ATOM 80 CB VAL A 6 -8.705 -2.747 2.600 1.00 43.03 C ATOM 81 CG1 VAL A 6 -7.536 -3.602 3.093 1.00 21.14 C ATOM 82 CG2 VAL A 6 -9.233 -1.841 3.715 1.00 32.43 C ATOM 0 H VAL A 6 -10.240 -1.117 1.464 1.00 70.31 H new ATOM 0 HA VAL A 6 -7.459 -1.267 1.625 1.00 45.10 H new ATOM 0 HB VAL A 6 -9.511 -3.419 2.306 1.00 43.03 H new ATOM 0 HG11 VAL A 6 -7.848 -4.177 3.965 1.00 21.14 H new ATOM 0 HG12 VAL A 6 -7.225 -4.284 2.302 1.00 21.14 H new ATOM 0 HG13 VAL A 6 -6.701 -2.956 3.364 1.00 21.14 H new ATOM 0 HG21 VAL A 6 -9.514 -2.449 4.575 1.00 32.43 H new ATOM 0 HG22 VAL A 6 -8.456 -1.134 4.008 1.00 32.43 H new ATOM 0 HG23 VAL A 6 -10.105 -1.294 3.357 1.00 32.43 H new ATOM 92 N THR A 7 -8.841 -3.498 -0.410 1.00 2.25 N ATOM 93 CA THR A 7 -8.585 -4.395 -1.542 1.00 15.44 C ATOM 94 C THR A 7 -7.922 -3.640 -2.701 1.00 70.22 C ATOM 95 O THR A 7 -7.012 -4.150 -3.353 1.00 22.21 O ATOM 96 CB THR A 7 -9.892 -5.049 -2.048 1.00 53.13 C ATOM 97 OG1 THR A 7 -10.586 -5.666 -0.951 1.00 53.11 O ATOM 98 CG2 THR A 7 -9.606 -6.093 -3.124 1.00 51.53 C ATOM 0 H THR A 7 -9.827 -3.404 -0.166 1.00 2.25 H new ATOM 0 HA THR A 7 -7.912 -5.175 -1.186 1.00 15.44 H new ATOM 0 HB THR A 7 -10.514 -4.267 -2.484 1.00 53.13 H new ATOM 0 HG1 THR A 7 -11.414 -6.077 -1.277 1.00 53.11 H new ATOM 0 HG21 THR A 7 -10.544 -6.535 -3.460 1.00 51.53 H new ATOM 0 HG22 THR A 7 -9.106 -5.618 -3.968 1.00 51.53 H new ATOM 0 HG23 THR A 7 -8.964 -6.872 -2.713 1.00 51.53 H new ATOM 106 N LYS A 8 -8.385 -2.411 -2.944 1.00 2.52 N ATOM 107 CA LYS A 8 -7.811 -1.561 -3.990 1.00 3.40 C ATOM 108 C LYS A 8 -6.329 -1.272 -3.709 1.00 14.54 C ATOM 109 O LYS A 8 -5.490 -1.389 -4.596 1.00 74.32 O ATOM 110 CB LYS A 8 -8.597 -0.248 -4.104 1.00 32.12 C ATOM 111 CG LYS A 8 -8.079 0.686 -5.193 1.00 54.42 C ATOM 112 CD LYS A 8 -8.944 1.933 -5.331 1.00 74.01 C ATOM 113 CE LYS A 8 -8.439 2.858 -6.434 1.00 63.22 C ATOM 114 NZ LYS A 8 -9.349 4.011 -6.646 1.00 1.02 N ATOM 0 H LYS A 8 -9.155 -1.983 -2.431 1.00 2.52 H new ATOM 0 HA LYS A 8 -7.881 -2.095 -4.938 1.00 3.40 H new ATOM 0 HB2 LYS A 8 -9.644 -0.478 -4.303 1.00 32.12 H new ATOM 0 HB3 LYS A 8 -8.561 0.271 -3.146 1.00 32.12 H new ATOM 0 HG2 LYS A 8 -7.054 0.979 -4.963 1.00 54.42 H new ATOM 0 HG3 LYS A 8 -8.053 0.155 -6.145 1.00 54.42 H new ATOM 0 HD2 LYS A 8 -9.972 1.640 -5.546 1.00 74.01 H new ATOM 0 HD3 LYS A 8 -8.958 2.472 -4.384 1.00 74.01 H new ATOM 0 HE2 LYS A 8 -7.445 3.222 -6.176 1.00 63.22 H new ATOM 0 HE3 LYS A 8 -8.341 2.296 -7.363 1.00 63.22 H new ATOM 0 HZ1 LYS A 8 -8.972 4.616 -7.403 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -10.291 3.664 -6.917 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -9.422 4.562 -5.767 1.00 1.02 H new ATOM 128 N ILE A 9 -6.020 -0.907 -2.464 1.00 54.03 N ATOM 129 CA ILE A 9 -4.635 -0.669 -2.041 1.00 75.50 C ATOM 130 C ILE A 9 -3.748 -1.891 -2.327 1.00 72.40 C ATOM 131 O ILE A 9 -2.676 -1.769 -2.923 1.00 13.51 O ATOM 132 CB ILE A 9 -4.566 -0.312 -0.532 1.00 11.32 C ATOM 133 CG1 ILE A 9 -5.284 1.022 -0.269 1.00 13.40 C ATOM 134 CG2 ILE A 9 -3.116 -0.256 -0.047 1.00 15.02 C ATOM 135 CD1 ILE A 9 -5.336 1.419 1.192 1.00 62.04 C ATOM 0 H ILE A 9 -6.711 -0.769 -1.727 1.00 54.03 H new ATOM 0 HA ILE A 9 -4.261 0.176 -2.619 1.00 75.50 H new ATOM 0 HB ILE A 9 -5.073 -1.096 0.031 1.00 11.32 H new ATOM 0 HG12 ILE A 9 -4.782 1.810 -0.831 1.00 13.40 H new ATOM 0 HG13 ILE A 9 -6.302 0.956 -0.653 1.00 13.40 H new ATOM 0 HG21 ILE A 9 -3.096 -0.004 1.013 1.00 15.02 H new ATOM 0 HG22 ILE A 9 -2.644 -1.227 -0.198 1.00 15.02 H new ATOM 0 HG23 ILE A 9 -2.573 0.503 -0.610 1.00 15.02 H new ATOM 0 HD11 ILE A 9 -5.858 2.370 1.292 1.00 62.04 H new ATOM 0 HD12 ILE A 9 -5.865 0.653 1.759 1.00 62.04 H new ATOM 0 HD13 ILE A 9 -4.322 1.520 1.578 1.00 62.04 H new ATOM 147 N ILE A 10 -4.211 -3.071 -1.916 1.00 30.44 N ATOM 148 CA ILE A 10 -3.497 -4.322 -2.199 1.00 61.14 C ATOM 149 C ILE A 10 -3.333 -4.534 -3.718 1.00 61.35 C ATOM 150 O ILE A 10 -2.276 -4.962 -4.192 1.00 23.31 O ATOM 151 CB ILE A 10 -4.233 -5.540 -1.579 1.00 10.14 C ATOM 152 CG1 ILE A 10 -4.381 -5.363 -0.055 1.00 52.14 C ATOM 153 CG2 ILE A 10 -3.500 -6.843 -1.902 1.00 74.43 C ATOM 154 CD1 ILE A 10 -5.164 -6.474 0.621 1.00 54.41 C ATOM 0 H ILE A 10 -5.075 -3.190 -1.387 1.00 30.44 H new ATOM 0 HA ILE A 10 -2.509 -4.241 -1.745 1.00 61.14 H new ATOM 0 HB ILE A 10 -5.229 -5.595 -2.018 1.00 10.14 H new ATOM 0 HG12 ILE A 10 -3.389 -5.307 0.392 1.00 52.14 H new ATOM 0 HG13 ILE A 10 -4.874 -4.412 0.144 1.00 52.14 H new ATOM 0 HG21 ILE A 10 -4.035 -7.682 -1.457 1.00 74.43 H new ATOM 0 HG22 ILE A 10 -3.453 -6.976 -2.983 1.00 74.43 H new ATOM 0 HG23 ILE A 10 -2.489 -6.802 -1.497 1.00 74.43 H new ATOM 0 HD11 ILE A 10 -5.224 -6.277 1.691 1.00 54.41 H new ATOM 0 HD12 ILE A 10 -6.170 -6.517 0.203 1.00 54.41 H new ATOM 0 HD13 ILE A 10 -4.661 -7.427 0.455 1.00 54.41 H new ATOM 166 N SER A 11 -4.384 -4.217 -4.476 1.00 53.25 N ATOM 167 CA SER A 11 -4.343 -4.308 -5.944 1.00 53.34 C ATOM 168 C SER A 11 -3.309 -3.336 -6.532 1.00 2.42 C ATOM 169 O SER A 11 -2.656 -3.642 -7.529 1.00 10.45 O ATOM 170 CB SER A 11 -5.729 -4.014 -6.539 1.00 32.54 C ATOM 171 OG SER A 11 -5.734 -4.157 -7.955 1.00 73.53 O ATOM 0 H SER A 11 -5.276 -3.894 -4.101 1.00 53.25 H new ATOM 0 HA SER A 11 -4.049 -5.324 -6.205 1.00 53.34 H new ATOM 0 HB2 SER A 11 -6.464 -4.690 -6.102 1.00 32.54 H new ATOM 0 HB3 SER A 11 -6.031 -3.001 -6.274 1.00 32.54 H new ATOM 0 HG SER A 11 -6.631 -3.964 -8.300 1.00 73.53 H new ATOM 177 N ILE A 12 -3.172 -2.164 -5.913 1.00 70.42 N ATOM 178 CA ILE A 12 -2.155 -1.182 -6.314 1.00 61.44 C ATOM 179 C ILE A 12 -0.746 -1.733 -6.055 1.00 2.45 C ATOM 180 O ILE A 12 0.151 -1.615 -6.893 1.00 34.21 O ATOM 181 CB ILE A 12 -2.333 0.157 -5.548 1.00 2.21 C ATOM 182 CG1 ILE A 12 -3.719 0.761 -5.837 1.00 73.31 C ATOM 183 CG2 ILE A 12 -1.225 1.145 -5.919 1.00 54.51 C ATOM 184 CD1 ILE A 12 -4.069 1.942 -4.952 1.00 24.40 C ATOM 0 H ILE A 12 -3.753 -1.867 -5.129 1.00 70.42 H new ATOM 0 HA ILE A 12 -2.282 -0.994 -7.380 1.00 61.44 H new ATOM 0 HB ILE A 12 -2.262 -0.046 -4.480 1.00 2.21 H new ATOM 0 HG12 ILE A 12 -3.757 1.076 -6.880 1.00 73.31 H new ATOM 0 HG13 ILE A 12 -4.476 -0.013 -5.710 1.00 73.31 H new ATOM 0 HG21 ILE A 12 -1.369 2.076 -5.371 1.00 54.51 H new ATOM 0 HG22 ILE A 12 -0.256 0.718 -5.661 1.00 54.51 H new ATOM 0 HG23 ILE A 12 -1.260 1.345 -6.990 1.00 54.51 H new ATOM 0 HD11 ILE A 12 -5.060 2.313 -5.215 1.00 24.40 H new ATOM 0 HD12 ILE A 12 -4.064 1.628 -3.908 1.00 24.40 H new ATOM 0 HD13 ILE A 12 -3.335 2.735 -5.096 1.00 24.40 H new ATOM 196 N VAL A 13 -0.566 -2.343 -4.885 1.00 0.42 N ATOM 197 CA VAL A 13 0.701 -2.993 -4.525 1.00 60.42 C ATOM 198 C VAL A 13 1.087 -4.065 -5.561 1.00 61.32 C ATOM 199 O VAL A 13 2.229 -4.120 -6.022 1.00 51.42 O ATOM 200 CB VAL A 13 0.621 -3.634 -3.111 1.00 24.53 C ATOM 201 CG1 VAL A 13 1.921 -4.348 -2.751 1.00 71.11 C ATOM 202 CG2 VAL A 13 0.279 -2.579 -2.062 1.00 73.42 C ATOM 0 H VAL A 13 -1.284 -2.403 -4.163 1.00 0.42 H new ATOM 0 HA VAL A 13 1.470 -2.221 -4.515 1.00 60.42 H new ATOM 0 HB VAL A 13 -0.175 -4.379 -3.127 1.00 24.53 H new ATOM 0 HG11 VAL A 13 1.833 -4.785 -1.757 1.00 71.11 H new ATOM 0 HG12 VAL A 13 2.117 -5.136 -3.478 1.00 71.11 H new ATOM 0 HG13 VAL A 13 2.744 -3.633 -2.761 1.00 71.11 H new ATOM 0 HG21 VAL A 13 0.227 -3.047 -1.079 1.00 73.42 H new ATOM 0 HG22 VAL A 13 1.049 -1.808 -2.057 1.00 73.42 H new ATOM 0 HG23 VAL A 13 -0.684 -2.128 -2.300 1.00 73.42 H new ATOM 212 N GLN A 14 0.120 -4.907 -5.925 1.00 15.10 N ATOM 213 CA GLN A 14 0.323 -5.936 -6.954 1.00 41.55 C ATOM 214 C GLN A 14 0.677 -5.296 -8.312 1.00 53.43 C ATOM 215 O GLN A 14 1.651 -5.684 -8.962 1.00 21.22 O ATOM 216 CB GLN A 14 -0.952 -6.788 -7.090 1.00 25.44 C ATOM 217 CG GLN A 14 -0.803 -8.003 -8.008 1.00 72.40 C ATOM 218 CD GLN A 14 -2.108 -8.762 -8.210 1.00 24.02 C ATOM 219 OE1 GLN A 14 -3.192 -8.185 -8.199 1.00 43.44 O ATOM 220 NE2 GLN A 14 -2.019 -10.065 -8.384 1.00 21.25 N ATOM 0 H GLN A 14 -0.817 -4.899 -5.522 1.00 15.10 H new ATOM 0 HA GLN A 14 1.156 -6.571 -6.651 1.00 41.55 H new ATOM 0 HB2 GLN A 14 -1.253 -7.130 -6.100 1.00 25.44 H new ATOM 0 HB3 GLN A 14 -1.757 -6.158 -7.468 1.00 25.44 H new ATOM 0 HG2 GLN A 14 -0.427 -7.675 -8.977 1.00 72.40 H new ATOM 0 HG3 GLN A 14 -0.058 -8.679 -7.589 1.00 72.40 H new ATOM 0 HE21 GLN A 14 -1.105 -10.518 -8.389 1.00 21.25 H new ATOM 0 HE22 GLN A 14 -2.864 -10.621 -8.514 1.00 21.25 H new ATOM 229 N GLU A 15 -0.118 -4.303 -8.713 1.00 63.23 N ATOM 230 CA GLU A 15 0.069 -3.589 -9.984 1.00 1.52 C ATOM 231 C GLU A 15 1.497 -3.018 -10.111 1.00 54.14 C ATOM 232 O GLU A 15 2.205 -3.282 -11.089 1.00 65.14 O ATOM 233 CB GLU A 15 -0.990 -2.468 -10.078 1.00 31.32 C ATOM 234 CG GLU A 15 -1.058 -1.727 -11.416 1.00 22.11 C ATOM 235 CD GLU A 15 -0.019 -0.621 -11.556 1.00 31.43 C ATOM 236 OE1 GLU A 15 -0.099 0.378 -10.811 1.00 64.33 O ATOM 237 OE2 GLU A 15 0.873 -0.736 -12.419 1.00 53.04 O ATOM 0 H GLU A 15 -0.912 -3.968 -8.167 1.00 63.23 H new ATOM 0 HA GLU A 15 -0.060 -4.288 -10.811 1.00 1.52 H new ATOM 0 HB2 GLU A 15 -1.969 -2.901 -9.874 1.00 31.32 H new ATOM 0 HB3 GLU A 15 -0.793 -1.740 -9.291 1.00 31.32 H new ATOM 0 HG2 GLU A 15 -0.924 -2.444 -12.226 1.00 22.11 H new ATOM 0 HG3 GLU A 15 -2.052 -1.296 -11.533 1.00 22.11 H new ATOM 244 N ARG A 16 1.917 -2.254 -9.105 1.00 31.11 N ATOM 245 CA ARG A 16 3.256 -1.648 -9.095 1.00 65.42 C ATOM 246 C ARG A 16 4.372 -2.702 -9.248 1.00 71.40 C ATOM 247 O ARG A 16 5.334 -2.489 -9.984 1.00 63.25 O ATOM 248 CB ARG A 16 3.468 -0.854 -7.799 1.00 22.41 C ATOM 249 CG ARG A 16 2.546 0.355 -7.627 1.00 13.20 C ATOM 250 CD ARG A 16 2.870 1.487 -8.599 1.00 42.31 C ATOM 251 NE ARG A 16 2.423 1.205 -9.964 1.00 35.12 N ATOM 252 CZ ARG A 16 2.844 1.846 -11.020 1.00 2.42 C ATOM 253 NH1 ARG A 16 3.802 2.713 -10.928 1.00 62.51 N ATOM 254 NH2 ARG A 16 2.334 1.579 -12.177 1.00 65.41 N ATOM 0 H ARG A 16 1.353 -2.037 -8.284 1.00 31.11 H new ATOM 0 HA ARG A 16 3.313 -0.977 -9.952 1.00 65.42 H new ATOM 0 HB2 ARG A 16 3.326 -1.525 -6.952 1.00 22.41 H new ATOM 0 HB3 ARG A 16 4.502 -0.512 -7.765 1.00 22.41 H new ATOM 0 HG2 ARG A 16 1.512 0.042 -7.772 1.00 13.20 H new ATOM 0 HG3 ARG A 16 2.626 0.725 -6.605 1.00 13.20 H new ATOM 0 HD2 ARG A 16 2.400 2.406 -8.250 1.00 42.31 H new ATOM 0 HD3 ARG A 16 3.946 1.661 -8.602 1.00 42.31 H new ATOM 0 HE ARG A 16 1.739 0.460 -10.098 1.00 35.12 H new ATOM 0 HH11 ARG A 16 4.235 2.900 -10.024 1.00 62.51 H new ATOM 0 HH12 ARG A 16 4.123 3.208 -11.760 1.00 62.51 H new ATOM 0 HH21 ARG A 16 1.606 0.870 -12.262 1.00 65.41 H new ATOM 0 HH22 ARG A 16 2.660 2.077 -13.005 1.00 65.41 H new ATOM 268 N GLN A 17 4.238 -3.837 -8.557 1.00 51.31 N ATOM 269 CA GLN A 17 5.242 -4.911 -8.636 1.00 52.22 C ATOM 270 C GLN A 17 5.221 -5.610 -10.008 1.00 55.12 C ATOM 271 O GLN A 17 6.250 -6.081 -10.489 1.00 45.22 O ATOM 272 CB GLN A 17 5.024 -5.930 -7.510 1.00 62.44 C ATOM 273 CG GLN A 17 5.182 -5.328 -6.118 1.00 22.02 C ATOM 274 CD GLN A 17 4.909 -6.318 -4.999 1.00 4.11 C ATOM 275 OE1 GLN A 17 5.163 -7.511 -5.117 1.00 71.30 O ATOM 276 NE2 GLN A 17 4.373 -5.827 -3.901 1.00 51.10 N ATOM 0 H GLN A 17 3.452 -4.039 -7.940 1.00 51.31 H new ATOM 0 HA GLN A 17 6.225 -4.455 -8.515 1.00 52.22 H new ATOM 0 HB2 GLN A 17 4.025 -6.357 -7.603 1.00 62.44 H new ATOM 0 HB3 GLN A 17 5.733 -6.749 -7.627 1.00 62.44 H new ATOM 0 HG2 GLN A 17 6.195 -4.940 -6.011 1.00 22.02 H new ATOM 0 HG3 GLN A 17 4.504 -4.481 -6.017 1.00 22.02 H new ATOM 0 HE21 GLN A 17 4.173 -4.829 -3.833 1.00 51.10 H new ATOM 0 HE22 GLN A 17 4.158 -6.445 -3.118 1.00 51.10 H new ATOM 285 N ASN A 18 4.044 -5.670 -10.637 1.00 40.43 N ATOM 286 CA ASN A 18 3.925 -6.190 -12.005 1.00 3.11 C ATOM 287 C ASN A 18 4.759 -5.347 -12.985 1.00 23.51 C ATOM 288 O ASN A 18 5.299 -5.860 -13.966 1.00 42.21 O ATOM 289 CB ASN A 18 2.455 -6.204 -12.446 1.00 33.35 C ATOM 290 CG ASN A 18 1.614 -7.190 -11.655 1.00 22.33 C ATOM 291 OD1 ASN A 18 2.082 -8.249 -11.249 1.00 32.34 O ATOM 292 ND2 ASN A 18 0.364 -6.847 -11.427 1.00 71.01 N ATOM 0 H ASN A 18 3.162 -5.367 -10.224 1.00 40.43 H new ATOM 0 HA ASN A 18 4.307 -7.211 -12.013 1.00 3.11 H new ATOM 0 HB2 ASN A 18 2.037 -5.204 -12.333 1.00 33.35 H new ATOM 0 HB3 ASN A 18 2.400 -6.454 -13.505 1.00 33.35 H new ATOM 0 HD21 ASN A 18 -0.247 -7.469 -10.898 1.00 71.01 H new ATOM 0 HD22 ASN A 18 0.007 -5.959 -11.779 1.00 71.01 H new ATOM 299 N MET A 19 4.849 -4.046 -12.707 1.00 74.20 N ATOM 300 CA MET A 19 5.665 -3.133 -13.519 1.00 31.21 C ATOM 301 C MET A 19 7.156 -3.520 -13.498 1.00 14.34 C ATOM 302 O MET A 19 7.861 -3.355 -14.498 1.00 61.43 O ATOM 303 CB MET A 19 5.493 -1.686 -13.036 1.00 52.44 C ATOM 304 CG MET A 19 4.095 -1.134 -13.268 1.00 70.45 C ATOM 305 SD MET A 19 3.647 -1.104 -15.019 1.00 11.35 S ATOM 306 CE MET A 19 4.913 -0.019 -15.679 1.00 31.54 C ATOM 0 H MET A 19 4.368 -3.598 -11.927 1.00 74.20 H new ATOM 0 HA MET A 19 5.314 -3.215 -14.548 1.00 31.21 H new ATOM 0 HB2 MET A 19 5.723 -1.636 -11.972 1.00 52.44 H new ATOM 0 HB3 MET A 19 6.216 -1.051 -13.549 1.00 52.44 H new ATOM 0 HG2 MET A 19 3.373 -1.740 -12.721 1.00 70.45 H new ATOM 0 HG3 MET A 19 4.034 -0.124 -12.863 1.00 70.45 H new ATOM 0 HE1 MET A 19 4.601 0.353 -16.655 1.00 31.54 H new ATOM 0 HE2 MET A 19 5.062 0.821 -15.001 1.00 31.54 H new ATOM 0 HE3 MET A 19 5.847 -0.571 -15.783 1.00 31.54 H new ATOM 316 N ASP A 20 7.630 -4.026 -12.360 1.00 63.55 N ATOM 317 CA ASP A 20 9.019 -4.487 -12.227 1.00 21.15 C ATOM 318 C ASP A 20 9.158 -5.456 -11.043 1.00 13.41 C ATOM 319 O ASP A 20 9.069 -5.053 -9.882 1.00 10.23 O ATOM 320 CB ASP A 20 9.975 -3.292 -12.050 1.00 44.24 C ATOM 321 CG ASP A 20 11.446 -3.654 -12.249 1.00 50.10 C ATOM 322 OD1 ASP A 20 11.816 -4.840 -12.098 1.00 15.42 O ATOM 323 OD2 ASP A 20 12.242 -2.750 -12.582 1.00 23.33 O ATOM 0 H ASP A 20 7.073 -4.129 -11.512 1.00 63.55 H new ATOM 0 HA ASP A 20 9.288 -5.015 -13.142 1.00 21.15 H new ATOM 0 HB2 ASP A 20 9.702 -2.510 -12.759 1.00 44.24 H new ATOM 0 HB3 ASP A 20 9.843 -2.876 -11.051 1.00 44.24 H new ATOM 328 N ASP A 21 9.392 -6.730 -11.351 1.00 51.44 N ATOM 329 CA ASP A 21 9.515 -7.778 -10.328 1.00 73.14 C ATOM 330 C ASP A 21 10.667 -7.506 -9.337 1.00 71.52 C ATOM 331 O ASP A 21 10.710 -8.085 -8.251 1.00 43.00 O ATOM 332 CB ASP A 21 9.704 -9.141 -11.010 1.00 22.01 C ATOM 333 CG ASP A 21 10.875 -9.147 -11.979 1.00 72.33 C ATOM 334 OD1 ASP A 21 10.709 -8.680 -13.127 1.00 70.15 O ATOM 335 OD2 ASP A 21 11.971 -9.615 -11.597 1.00 23.32 O ATOM 0 H ASP A 21 9.502 -7.068 -12.307 1.00 51.44 H new ATOM 0 HA ASP A 21 8.594 -7.780 -9.744 1.00 73.14 H new ATOM 0 HB2 ASP A 21 9.861 -9.906 -10.250 1.00 22.01 H new ATOM 0 HB3 ASP A 21 8.792 -9.406 -11.545 1.00 22.01 H new ATOM 340 N GLY A 22 11.593 -6.624 -9.716 1.00 72.14 N ATOM 341 CA GLY A 22 12.712 -6.285 -8.840 1.00 11.23 C ATOM 342 C GLY A 22 12.525 -4.957 -8.105 1.00 4.53 C ATOM 343 O GLY A 22 13.470 -4.435 -7.507 1.00 73.21 O ATOM 0 H GLY A 22 11.590 -6.137 -10.612 1.00 72.14 H new ATOM 0 HA2 GLY A 22 12.845 -7.082 -8.108 1.00 11.23 H new ATOM 0 HA3 GLY A 22 13.626 -6.239 -9.432 1.00 11.23 H new ATOM 347 N ALA A 23 11.307 -4.415 -8.132 1.00 64.41 N ATOM 348 CA ALA A 23 11.018 -3.118 -7.507 1.00 1.32 C ATOM 349 C ALA A 23 9.895 -3.216 -6.461 1.00 12.03 C ATOM 350 O ALA A 23 8.905 -3.919 -6.663 1.00 51.22 O ATOM 351 CB ALA A 23 10.644 -2.099 -8.577 1.00 54.55 C ATOM 0 H ALA A 23 10.502 -4.853 -8.580 1.00 64.41 H new ATOM 0 HA ALA A 23 11.921 -2.795 -6.988 1.00 1.32 H new ATOM 0 HB1 ALA A 23 10.431 -1.139 -8.107 1.00 54.55 H new ATOM 0 HB2 ALA A 23 11.473 -1.985 -9.276 1.00 54.55 H new ATOM 0 HB3 ALA A 23 9.761 -2.444 -9.115 1.00 54.55 H new ATOM 357 N PRO A 24 10.035 -2.509 -5.317 1.00 44.42 N ATOM 358 CA PRO A 24 8.997 -2.441 -4.290 1.00 71.43 C ATOM 359 C PRO A 24 7.993 -1.302 -4.542 1.00 43.42 C ATOM 360 O PRO A 24 8.163 -0.489 -5.457 1.00 42.51 O ATOM 361 CB PRO A 24 9.796 -2.188 -2.994 1.00 21.11 C ATOM 362 CG PRO A 24 11.204 -1.854 -3.415 1.00 71.24 C ATOM 363 CD PRO A 24 11.209 -1.727 -4.920 1.00 44.14 C ATOM 0 HA PRO A 24 8.390 -3.346 -4.262 1.00 71.43 H new ATOM 0 HB2 PRO A 24 9.358 -1.370 -2.422 1.00 21.11 H new ATOM 0 HB3 PRO A 24 9.782 -3.069 -2.352 1.00 21.11 H new ATOM 0 HG2 PRO A 24 11.533 -0.924 -2.951 1.00 71.24 H new ATOM 0 HG3 PRO A 24 11.895 -2.633 -3.094 1.00 71.24 H new ATOM 0 HD2 PRO A 24 11.129 -0.688 -5.238 1.00 44.14 H new ATOM 0 HD3 PRO A 24 12.126 -2.124 -5.356 1.00 44.14 H new ATOM 371 N VAL A 25 6.949 -1.242 -3.720 1.00 51.24 N ATOM 372 CA VAL A 25 5.910 -0.218 -3.861 1.00 32.12 C ATOM 373 C VAL A 25 6.093 0.907 -2.827 1.00 24.33 C ATOM 374 O VAL A 25 6.355 0.645 -1.658 1.00 50.51 O ATOM 375 CB VAL A 25 4.502 -0.839 -3.697 1.00 44.45 C ATOM 376 CG1 VAL A 25 3.416 0.175 -4.047 1.00 12.15 C ATOM 377 CG2 VAL A 25 4.369 -2.103 -4.545 1.00 3.50 C ATOM 0 H VAL A 25 6.797 -1.890 -2.947 1.00 51.24 H new ATOM 0 HA VAL A 25 6.004 0.204 -4.861 1.00 32.12 H new ATOM 0 HB VAL A 25 4.371 -1.119 -2.652 1.00 44.45 H new ATOM 0 HG11 VAL A 25 2.435 -0.285 -3.924 1.00 12.15 H new ATOM 0 HG12 VAL A 25 3.497 1.038 -3.386 1.00 12.15 H new ATOM 0 HG13 VAL A 25 3.539 0.497 -5.081 1.00 12.15 H new ATOM 0 HG21 VAL A 25 3.372 -2.525 -4.416 1.00 3.50 H new ATOM 0 HG22 VAL A 25 4.525 -1.855 -5.595 1.00 3.50 H new ATOM 0 HG23 VAL A 25 5.115 -2.833 -4.230 1.00 3.50 H new ATOM 387 N LYS A 26 5.957 2.156 -3.262 1.00 62.34 N ATOM 388 CA LYS A 26 6.115 3.308 -2.363 1.00 4.15 C ATOM 389 C LYS A 26 4.773 3.700 -1.729 1.00 5.45 C ATOM 390 O LYS A 26 3.729 3.646 -2.384 1.00 11.34 O ATOM 391 CB LYS A 26 6.669 4.534 -3.114 1.00 60.42 C ATOM 392 CG LYS A 26 8.027 4.338 -3.788 1.00 22.45 C ATOM 393 CD LYS A 26 7.945 3.388 -4.980 1.00 53.42 C ATOM 394 CE LYS A 26 9.121 3.563 -5.925 1.00 64.12 C ATOM 395 NZ LYS A 26 9.103 4.901 -6.578 1.00 63.34 N ATOM 0 H LYS A 26 5.738 2.402 -4.227 1.00 62.34 H new ATOM 0 HA LYS A 26 6.818 3.006 -1.587 1.00 4.15 H new ATOM 0 HB2 LYS A 26 5.946 4.829 -3.874 1.00 60.42 H new ATOM 0 HB3 LYS A 26 6.749 5.363 -2.411 1.00 60.42 H new ATOM 0 HG2 LYS A 26 8.409 5.303 -4.120 1.00 22.45 H new ATOM 0 HG3 LYS A 26 8.739 3.946 -3.061 1.00 22.45 H new ATOM 0 HD2 LYS A 26 7.916 2.359 -4.623 1.00 53.42 H new ATOM 0 HD3 LYS A 26 7.015 3.564 -5.521 1.00 53.42 H new ATOM 0 HE2 LYS A 26 10.053 3.439 -5.374 1.00 64.12 H new ATOM 0 HE3 LYS A 26 9.095 2.785 -6.688 1.00 64.12 H new ATOM 0 HZ1 LYS A 26 9.630 4.857 -7.473 1.00 63.34 H new ATOM 0 HZ2 LYS A 26 8.120 5.181 -6.769 1.00 63.34 H new ATOM 0 HZ3 LYS A 26 9.546 5.600 -5.949 1.00 63.34 H new ATOM 409 N THR A 27 4.805 4.114 -0.465 1.00 22.53 N ATOM 410 CA THR A 27 3.607 4.646 0.205 1.00 32.33 C ATOM 411 C THR A 27 3.018 5.827 -0.586 1.00 0.42 C ATOM 412 O THR A 27 1.798 5.983 -0.687 1.00 42.30 O ATOM 413 CB THR A 27 3.923 5.108 1.650 1.00 11.22 C ATOM 414 OG1 THR A 27 4.489 4.020 2.403 1.00 54.04 O ATOM 415 CG2 THR A 27 2.668 5.616 2.359 1.00 41.22 C ATOM 0 H THR A 27 5.641 4.094 0.120 1.00 22.53 H new ATOM 0 HA THR A 27 2.878 3.837 0.247 1.00 32.33 H new ATOM 0 HB THR A 27 4.640 5.927 1.588 1.00 11.22 H new ATOM 0 HG1 THR A 27 4.687 4.321 3.314 1.00 54.04 H new ATOM 0 HG21 THR A 27 2.924 5.932 3.370 1.00 41.22 H new ATOM 0 HG22 THR A 27 2.256 6.461 1.808 1.00 41.22 H new ATOM 0 HG23 THR A 27 1.928 4.817 2.405 1.00 41.22 H new ATOM 423 N ARG A 28 3.903 6.647 -1.161 1.00 44.12 N ATOM 424 CA ARG A 28 3.494 7.782 -1.999 1.00 20.25 C ATOM 425 C ARG A 28 2.686 7.308 -3.224 1.00 4.33 C ATOM 426 O ARG A 28 1.556 7.749 -3.450 1.00 52.43 O ATOM 427 CB ARG A 28 4.729 8.566 -2.471 1.00 4.42 C ATOM 428 CG ARG A 28 5.597 9.133 -1.345 1.00 51.40 C ATOM 429 CD ARG A 28 4.841 10.138 -0.477 1.00 24.30 C ATOM 430 NE ARG A 28 4.227 11.207 -1.266 1.00 30.42 N ATOM 431 CZ ARG A 28 4.623 12.453 -1.270 1.00 41.25 C ATOM 432 NH1 ARG A 28 5.674 12.818 -0.607 1.00 33.25 N ATOM 433 NH2 ARG A 28 3.976 13.331 -1.962 1.00 65.34 N ATOM 0 H ARG A 28 4.913 6.546 -1.061 1.00 44.12 H new ATOM 0 HA ARG A 28 2.859 8.430 -1.395 1.00 20.25 H new ATOM 0 HB2 ARG A 28 5.343 7.912 -3.090 1.00 4.42 H new ATOM 0 HB3 ARG A 28 4.399 9.388 -3.106 1.00 4.42 H new ATOM 0 HG2 ARG A 28 5.957 8.315 -0.720 1.00 51.40 H new ATOM 0 HG3 ARG A 28 6.475 9.616 -1.774 1.00 51.40 H new ATOM 0 HD2 ARG A 28 4.068 9.617 0.087 1.00 24.30 H new ATOM 0 HD3 ARG A 28 5.527 10.574 0.249 1.00 24.30 H new ATOM 0 HE ARG A 28 3.432 10.962 -1.856 1.00 30.42 H new ATOM 0 HH11 ARG A 28 6.204 12.130 -0.073 1.00 33.25 H new ATOM 0 HH12 ARG A 28 5.971 13.794 -0.619 1.00 33.25 H new ATOM 0 HH21 ARG A 28 3.158 13.052 -2.504 1.00 65.34 H new ATOM 0 HH22 ARG A 28 4.283 14.304 -1.967 1.00 65.34 H new ATOM 447 N ASP A 29 3.284 6.406 -4.006 1.00 53.04 N ATOM 448 CA ASP A 29 2.647 5.843 -5.204 1.00 65.14 C ATOM 449 C ASP A 29 1.242 5.293 -4.895 1.00 71.54 C ATOM 450 O ASP A 29 0.284 5.540 -5.634 1.00 43.22 O ATOM 451 CB ASP A 29 3.535 4.732 -5.791 1.00 55.31 C ATOM 452 CG ASP A 29 4.912 5.234 -6.217 1.00 34.35 C ATOM 453 OD1 ASP A 29 5.365 6.280 -5.704 1.00 11.44 O ATOM 454 OD2 ASP A 29 5.555 4.576 -7.061 1.00 12.12 O ATOM 0 H ASP A 29 4.221 6.045 -3.829 1.00 53.04 H new ATOM 0 HA ASP A 29 2.534 6.644 -5.934 1.00 65.14 H new ATOM 0 HB2 ASP A 29 3.655 3.941 -5.051 1.00 55.31 H new ATOM 0 HB3 ASP A 29 3.033 4.289 -6.651 1.00 55.31 H new ATOM 459 N ILE A 30 1.124 4.557 -3.791 1.00 41.22 N ATOM 460 CA ILE A 30 -0.171 4.026 -3.354 1.00 43.52 C ATOM 461 C ILE A 30 -1.164 5.159 -3.045 1.00 21.12 C ATOM 462 O ILE A 30 -2.321 5.116 -3.466 1.00 73.21 O ATOM 463 CB ILE A 30 -0.014 3.120 -2.108 1.00 51.21 C ATOM 464 CG1 ILE A 30 0.921 1.942 -2.428 1.00 13.13 C ATOM 465 CG2 ILE A 30 -1.377 2.620 -1.623 1.00 2.41 C ATOM 466 CD1 ILE A 30 1.195 1.033 -1.248 1.00 14.31 C ATOM 0 H ILE A 30 1.906 4.314 -3.183 1.00 41.22 H new ATOM 0 HA ILE A 30 -0.565 3.429 -4.176 1.00 43.52 H new ATOM 0 HB ILE A 30 0.430 3.707 -1.304 1.00 51.21 H new ATOM 0 HG12 ILE A 30 0.483 1.352 -3.233 1.00 13.13 H new ATOM 0 HG13 ILE A 30 1.868 2.334 -2.799 1.00 13.13 H new ATOM 0 HG21 ILE A 30 -1.241 1.986 -0.747 1.00 2.41 H new ATOM 0 HG22 ILE A 30 -2.005 3.472 -1.361 1.00 2.41 H new ATOM 0 HG23 ILE A 30 -1.857 2.046 -2.416 1.00 2.41 H new ATOM 0 HD11 ILE A 30 1.862 0.228 -1.556 1.00 14.31 H new ATOM 0 HD12 ILE A 30 1.664 1.606 -0.448 1.00 14.31 H new ATOM 0 HD13 ILE A 30 0.257 0.610 -0.889 1.00 14.31 H new ATOM 478 N ALA A 31 -0.701 6.178 -2.322 1.00 1.33 N ATOM 479 CA ALA A 31 -1.534 7.344 -1.998 1.00 62.43 C ATOM 480 C ALA A 31 -2.008 8.073 -3.267 1.00 41.43 C ATOM 481 O ALA A 31 -3.098 8.651 -3.296 1.00 45.21 O ATOM 482 CB ALA A 31 -0.770 8.303 -1.090 1.00 2.34 C ATOM 0 H ALA A 31 0.247 6.223 -1.948 1.00 1.33 H new ATOM 0 HA ALA A 31 -2.419 6.984 -1.473 1.00 62.43 H new ATOM 0 HB1 ALA A 31 -1.399 9.163 -0.858 1.00 2.34 H new ATOM 0 HB2 ALA A 31 -0.499 7.791 -0.166 1.00 2.34 H new ATOM 0 HB3 ALA A 31 0.134 8.641 -1.596 1.00 2.34 H new ATOM 488 N ASP A 32 -1.181 8.041 -4.306 1.00 12.41 N ATOM 489 CA ASP A 32 -1.517 8.653 -5.595 1.00 12.42 C ATOM 490 C ASP A 32 -2.677 7.908 -6.285 1.00 62.00 C ATOM 491 O ASP A 32 -3.669 8.521 -6.690 1.00 61.11 O ATOM 492 CB ASP A 32 -0.273 8.666 -6.494 1.00 30.14 C ATOM 493 CG ASP A 32 -0.524 9.321 -7.842 1.00 74.00 C ATOM 494 OD1 ASP A 32 -0.681 10.560 -7.882 1.00 2.42 O ATOM 495 OD2 ASP A 32 -0.548 8.604 -8.867 1.00 41.41 O ATOM 0 H ASP A 32 -0.264 7.595 -4.284 1.00 12.41 H new ATOM 0 HA ASP A 32 -1.847 9.677 -5.418 1.00 12.42 H new ATOM 0 HB2 ASP A 32 0.532 9.194 -5.984 1.00 30.14 H new ATOM 0 HB3 ASP A 32 0.066 7.642 -6.651 1.00 30.14 H new ATOM 500 N ALA A 33 -2.553 6.588 -6.399 1.00 1.30 N ATOM 501 CA ALA A 33 -3.575 5.765 -7.063 1.00 13.41 C ATOM 502 C ALA A 33 -4.837 5.587 -6.193 1.00 43.04 C ATOM 503 O ALA A 33 -5.935 5.378 -6.712 1.00 74.12 O ATOM 504 CB ALA A 33 -2.990 4.407 -7.440 1.00 4.04 C ATOM 0 H ALA A 33 -1.757 6.060 -6.042 1.00 1.30 H new ATOM 0 HA ALA A 33 -3.882 6.290 -7.968 1.00 13.41 H new ATOM 0 HB1 ALA A 33 -3.755 3.805 -7.931 1.00 4.04 H new ATOM 0 HB2 ALA A 33 -2.149 4.549 -8.118 1.00 4.04 H new ATOM 0 HB3 ALA A 33 -2.648 3.896 -6.540 1.00 4.04 H new ATOM 510 N ALA A 34 -4.673 5.665 -4.872 1.00 14.03 N ATOM 511 CA ALA A 34 -5.800 5.520 -3.937 1.00 63.14 C ATOM 512 C ALA A 34 -6.521 6.857 -3.688 1.00 52.42 C ATOM 513 O ALA A 34 -7.715 6.882 -3.388 1.00 44.42 O ATOM 514 CB ALA A 34 -5.316 4.931 -2.614 1.00 30.14 C ATOM 0 H ALA A 34 -3.773 5.828 -4.421 1.00 14.03 H new ATOM 0 HA ALA A 34 -6.518 4.841 -4.396 1.00 63.14 H new ATOM 0 HB1 ALA A 34 -6.159 4.829 -1.931 1.00 30.14 H new ATOM 0 HB2 ALA A 34 -4.873 3.951 -2.792 1.00 30.14 H new ATOM 0 HB3 ALA A 34 -4.570 5.592 -2.173 1.00 30.14 H new ATOM 520 N GLY A 35 -5.788 7.962 -3.804 1.00 0.42 N ATOM 521 CA GLY A 35 -6.373 9.282 -3.576 1.00 41.22 C ATOM 522 C GLY A 35 -6.651 9.574 -2.102 1.00 0.15 C ATOM 523 O GLY A 35 -7.607 10.276 -1.767 1.00 42.45 O ATOM 0 H GLY A 35 -4.799 7.971 -4.052 1.00 0.42 H new ATOM 0 HA2 GLY A 35 -5.699 10.043 -3.969 1.00 41.22 H new ATOM 0 HA3 GLY A 35 -7.304 9.361 -4.137 1.00 41.22 H new ATOM 527 N LEU A 36 -5.810 9.031 -1.222 1.00 73.20 N ATOM 528 CA LEU A 36 -5.954 9.235 0.229 1.00 53.44 C ATOM 529 C LEU A 36 -4.755 10.008 0.799 1.00 2.31 C ATOM 530 O LEU A 36 -3.725 10.161 0.135 1.00 1.42 O ATOM 531 CB LEU A 36 -6.087 7.882 0.948 1.00 25.14 C ATOM 532 CG LEU A 36 -7.281 7.012 0.512 1.00 32.13 C ATOM 533 CD1 LEU A 36 -7.284 5.684 1.266 1.00 62.01 C ATOM 534 CD2 LEU A 36 -8.598 7.757 0.718 1.00 74.33 C ATOM 0 H LEU A 36 -5.018 8.444 -1.484 1.00 73.20 H new ATOM 0 HA LEU A 36 -6.857 9.822 0.397 1.00 53.44 H new ATOM 0 HB2 LEU A 36 -5.170 7.315 0.789 1.00 25.14 H new ATOM 0 HB3 LEU A 36 -6.167 8.066 2.019 1.00 25.14 H new ATOM 0 HG LEU A 36 -7.177 6.798 -0.552 1.00 32.13 H new ATOM 0 HD11 LEU A 36 -8.135 5.084 0.943 1.00 62.01 H new ATOM 0 HD12 LEU A 36 -6.360 5.145 1.057 1.00 62.01 H new ATOM 0 HD13 LEU A 36 -7.359 5.874 2.337 1.00 62.01 H new ATOM 0 HD21 LEU A 36 -9.427 7.124 0.403 1.00 74.33 H new ATOM 0 HD22 LEU A 36 -8.713 8.008 1.772 1.00 74.33 H new ATOM 0 HD23 LEU A 36 -8.595 8.672 0.125 1.00 74.33 H new ATOM 546 N SER A 37 -4.888 10.495 2.030 1.00 63.53 N ATOM 547 CA SER A 37 -3.796 11.223 2.695 1.00 3.12 C ATOM 548 C SER A 37 -2.641 10.282 3.060 1.00 72.31 C ATOM 549 O SER A 37 -2.862 9.131 3.442 1.00 3.21 O ATOM 550 CB SER A 37 -4.303 11.932 3.960 1.00 63.31 C ATOM 551 OG SER A 37 -4.754 11.004 4.933 1.00 71.15 O ATOM 0 H SER A 37 -5.735 10.402 2.590 1.00 63.53 H new ATOM 0 HA SER A 37 -3.427 11.970 1.992 1.00 3.12 H new ATOM 0 HB2 SER A 37 -3.504 12.542 4.381 1.00 63.31 H new ATOM 0 HB3 SER A 37 -5.116 12.609 3.697 1.00 63.31 H new ATOM 0 HG SER A 37 -5.068 11.488 5.725 1.00 71.15 H new ATOM 557 N ILE A 38 -1.407 10.781 2.952 1.00 5.11 N ATOM 558 CA ILE A 38 -0.203 9.973 3.208 1.00 53.13 C ATOM 559 C ILE A 38 -0.286 9.202 4.542 1.00 75.41 C ATOM 560 O ILE A 38 -0.055 7.990 4.587 1.00 73.31 O ATOM 561 CB ILE A 38 1.075 10.854 3.217 1.00 31.34 C ATOM 562 CG1 ILE A 38 1.219 11.627 1.891 1.00 13.54 C ATOM 563 CG2 ILE A 38 2.319 10.002 3.477 1.00 12.33 C ATOM 564 CD1 ILE A 38 1.335 10.740 0.663 1.00 62.05 C ATOM 0 H ILE A 38 -1.211 11.746 2.688 1.00 5.11 H new ATOM 0 HA ILE A 38 -0.147 9.251 2.393 1.00 53.13 H new ATOM 0 HB ILE A 38 0.978 11.578 4.026 1.00 31.34 H new ATOM 0 HG12 ILE A 38 0.358 12.284 1.771 1.00 13.54 H new ATOM 0 HG13 ILE A 38 2.101 12.265 1.949 1.00 13.54 H new ATOM 0 HG21 ILE A 38 3.203 10.640 3.479 1.00 12.33 H new ATOM 0 HG22 ILE A 38 2.226 9.508 4.444 1.00 12.33 H new ATOM 0 HG23 ILE A 38 2.416 9.251 2.693 1.00 12.33 H new ATOM 0 HD11 ILE A 38 1.433 11.362 -0.227 1.00 62.05 H new ATOM 0 HD12 ILE A 38 2.213 10.101 0.757 1.00 62.05 H new ATOM 0 HD13 ILE A 38 0.443 10.120 0.576 1.00 62.05 H new ATOM 576 N TYR A 39 -0.628 9.907 5.620 1.00 33.50 N ATOM 577 CA TYR A 39 -0.698 9.299 6.952 1.00 71.22 C ATOM 578 C TYR A 39 -1.769 8.195 7.010 1.00 34.23 C ATOM 579 O TYR A 39 -1.539 7.124 7.574 1.00 4.30 O ATOM 580 CB TYR A 39 -0.983 10.374 8.011 1.00 43.54 C ATOM 581 CG TYR A 39 -0.842 9.870 9.436 1.00 24.45 C ATOM 582 CD1 TYR A 39 0.401 9.843 10.062 1.00 22.23 C ATOM 583 CD2 TYR A 39 -1.945 9.420 10.156 1.00 31.24 C ATOM 584 CE1 TYR A 39 0.541 9.378 11.355 1.00 42.11 C ATOM 585 CE2 TYR A 39 -1.812 8.953 11.449 1.00 64.23 C ATOM 586 CZ TYR A 39 -0.567 8.936 12.045 1.00 73.33 C ATOM 587 OH TYR A 39 -0.430 8.469 13.334 1.00 53.44 O ATOM 0 H TYR A 39 -0.861 10.900 5.599 1.00 33.50 H new ATOM 0 HA TYR A 39 0.267 8.839 7.162 1.00 71.22 H new ATOM 0 HB2 TYR A 39 -0.301 11.211 7.861 1.00 43.54 H new ATOM 0 HB3 TYR A 39 -1.994 10.756 7.867 1.00 43.54 H new ATOM 0 HD1 TYR A 39 1.272 10.192 9.527 1.00 22.23 H new ATOM 0 HD2 TYR A 39 -2.922 9.436 9.696 1.00 31.24 H new ATOM 0 HE1 TYR A 39 1.514 9.361 11.823 1.00 42.11 H new ATOM 0 HE2 TYR A 39 -2.678 8.603 11.991 1.00 64.23 H new ATOM 0 HH TYR A 39 -1.306 8.197 13.678 1.00 53.44 H new ATOM 597 N GLN A 40 -2.932 8.455 6.415 1.00 31.13 N ATOM 598 CA GLN A 40 -4.033 7.483 6.404 1.00 53.21 C ATOM 599 C GLN A 40 -3.642 6.212 5.627 1.00 53.24 C ATOM 600 O GLN A 40 -3.899 5.089 6.076 1.00 31.12 O ATOM 601 CB GLN A 40 -5.292 8.121 5.803 1.00 74.50 C ATOM 602 CG GLN A 40 -6.536 7.245 5.881 1.00 31.25 C ATOM 603 CD GLN A 40 -7.785 7.971 5.414 1.00 70.11 C ATOM 604 OE1 GLN A 40 -8.139 7.941 4.241 1.00 14.34 O ATOM 605 NE2 GLN A 40 -8.450 8.648 6.328 1.00 62.01 N ATOM 0 H GLN A 40 -3.140 9.330 5.933 1.00 31.13 H new ATOM 0 HA GLN A 40 -4.245 7.191 7.433 1.00 53.21 H new ATOM 0 HB2 GLN A 40 -5.491 9.061 6.318 1.00 74.50 H new ATOM 0 HB3 GLN A 40 -5.098 8.365 4.758 1.00 74.50 H new ATOM 0 HG2 GLN A 40 -6.388 6.353 5.272 1.00 31.25 H new ATOM 0 HG3 GLN A 40 -6.677 6.909 6.908 1.00 31.25 H new ATOM 0 HE21 GLN A 40 -8.127 8.651 7.296 1.00 62.01 H new ATOM 0 HE22 GLN A 40 -9.288 9.169 6.068 1.00 62.01 H new ATOM 614 N VAL A 41 -3.006 6.399 4.470 1.00 45.05 N ATOM 615 CA VAL A 41 -2.487 5.276 3.680 1.00 60.21 C ATOM 616 C VAL A 41 -1.496 4.443 4.512 1.00 63.33 C ATOM 617 O VAL A 41 -1.538 3.210 4.502 1.00 13.22 O ATOM 618 CB VAL A 41 -1.793 5.764 2.380 1.00 41.41 C ATOM 619 CG1 VAL A 41 -1.237 4.588 1.578 1.00 54.35 C ATOM 620 CG2 VAL A 41 -2.762 6.585 1.531 1.00 61.13 C ATOM 0 H VAL A 41 -2.837 7.316 4.057 1.00 45.05 H new ATOM 0 HA VAL A 41 -3.338 4.655 3.401 1.00 60.21 H new ATOM 0 HB VAL A 41 -0.956 6.402 2.664 1.00 41.41 H new ATOM 0 HG11 VAL A 41 -0.757 4.960 0.673 1.00 54.35 H new ATOM 0 HG12 VAL A 41 -0.507 4.049 2.181 1.00 54.35 H new ATOM 0 HG13 VAL A 41 -2.051 3.915 1.307 1.00 54.35 H new ATOM 0 HG21 VAL A 41 -2.258 6.919 0.624 1.00 61.13 H new ATOM 0 HG22 VAL A 41 -3.622 5.971 1.264 1.00 61.13 H new ATOM 0 HG23 VAL A 41 -3.098 7.452 2.099 1.00 61.13 H new ATOM 630 N ARG A 42 -0.623 5.135 5.249 1.00 70.51 N ATOM 631 CA ARG A 42 0.318 4.477 6.167 1.00 72.43 C ATOM 632 C ARG A 42 -0.417 3.586 7.181 1.00 51.20 C ATOM 633 O ARG A 42 0.038 2.487 7.491 1.00 64.04 O ATOM 634 CB ARG A 42 1.162 5.523 6.914 1.00 31.30 C ATOM 635 CG ARG A 42 2.166 6.264 6.032 1.00 42.33 C ATOM 636 CD ARG A 42 2.887 7.366 6.806 1.00 35.15 C ATOM 637 NE ARG A 42 3.490 6.864 8.044 1.00 45.21 N ATOM 638 CZ ARG A 42 4.141 7.608 8.899 1.00 43.04 C ATOM 639 NH1 ARG A 42 4.341 8.866 8.666 1.00 32.23 N ATOM 640 NH2 ARG A 42 4.593 7.089 9.993 1.00 73.43 N ATOM 0 H ARG A 42 -0.546 6.152 5.230 1.00 70.51 H new ATOM 0 HA ARG A 42 0.974 3.846 5.567 1.00 72.43 H new ATOM 0 HB2 ARG A 42 0.494 6.251 7.375 1.00 31.30 H new ATOM 0 HB3 ARG A 42 1.701 5.029 7.722 1.00 31.30 H new ATOM 0 HG2 ARG A 42 2.896 5.557 5.638 1.00 42.33 H new ATOM 0 HG3 ARG A 42 1.649 6.698 5.176 1.00 42.33 H new ATOM 0 HD2 ARG A 42 3.662 7.803 6.177 1.00 35.15 H new ATOM 0 HD3 ARG A 42 2.182 8.163 7.043 1.00 35.15 H new ATOM 0 HE ARG A 42 3.396 5.870 8.252 1.00 45.21 H new ATOM 0 HH11 ARG A 42 3.989 9.288 7.807 1.00 32.23 H new ATOM 0 HH12 ARG A 42 4.851 9.435 9.342 1.00 32.23 H new ATOM 0 HH21 ARG A 42 4.442 6.099 10.189 1.00 73.43 H new ATOM 0 HH22 ARG A 42 5.101 7.669 10.661 1.00 73.43 H new ATOM 654 N LEU A 43 -1.553 4.063 7.691 1.00 44.40 N ATOM 655 CA LEU A 43 -2.355 3.294 8.653 1.00 43.33 C ATOM 656 C LEU A 43 -2.804 1.949 8.053 1.00 33.20 C ATOM 657 O LEU A 43 -2.730 0.907 8.711 1.00 12.13 O ATOM 658 CB LEU A 43 -3.578 4.106 9.096 1.00 50.34 C ATOM 659 CG LEU A 43 -3.263 5.439 9.797 1.00 64.15 C ATOM 660 CD1 LEU A 43 -4.545 6.206 10.095 1.00 71.41 C ATOM 661 CD2 LEU A 43 -2.463 5.201 11.079 1.00 15.14 C ATOM 0 H LEU A 43 -1.941 4.977 7.457 1.00 44.40 H new ATOM 0 HA LEU A 43 -1.730 3.088 9.522 1.00 43.33 H new ATOM 0 HB2 LEU A 43 -4.194 4.311 8.220 1.00 50.34 H new ATOM 0 HB3 LEU A 43 -4.176 3.493 9.770 1.00 50.34 H new ATOM 0 HG LEU A 43 -2.654 6.042 9.124 1.00 64.15 H new ATOM 0 HD11 LEU A 43 -4.300 7.145 10.591 1.00 71.41 H new ATOM 0 HD12 LEU A 43 -5.070 6.414 9.163 1.00 71.41 H new ATOM 0 HD13 LEU A 43 -5.184 5.608 10.745 1.00 71.41 H new ATOM 0 HD21 LEU A 43 -2.251 6.157 11.558 1.00 15.14 H new ATOM 0 HD22 LEU A 43 -3.042 4.575 11.758 1.00 15.14 H new ATOM 0 HD23 LEU A 43 -1.525 4.702 10.835 1.00 15.14 H new ATOM 673 N TYR A 44 -3.271 1.984 6.805 1.00 52.13 N ATOM 674 CA TYR A 44 -3.672 0.761 6.097 1.00 51.43 C ATOM 675 C TYR A 44 -2.476 -0.170 5.844 1.00 40.41 C ATOM 676 O TYR A 44 -2.505 -1.346 6.209 1.00 51.54 O ATOM 677 CB TYR A 44 -4.350 1.105 4.765 1.00 11.21 C ATOM 678 CG TYR A 44 -5.757 1.647 4.918 1.00 32.23 C ATOM 679 CD1 TYR A 44 -6.833 0.783 5.082 1.00 22.22 C ATOM 680 CD2 TYR A 44 -6.012 3.016 4.894 1.00 62.52 C ATOM 681 CE1 TYR A 44 -8.120 1.263 5.221 1.00 42.13 C ATOM 682 CE2 TYR A 44 -7.298 3.502 5.034 1.00 24.34 C ATOM 683 CZ TYR A 44 -8.349 2.620 5.194 1.00 3.53 C ATOM 684 OH TYR A 44 -9.634 3.098 5.336 1.00 53.52 O ATOM 0 H TYR A 44 -3.382 2.841 6.262 1.00 52.13 H new ATOM 0 HA TYR A 44 -4.381 0.236 6.738 1.00 51.43 H new ATOM 0 HB2 TYR A 44 -3.742 1.841 4.238 1.00 11.21 H new ATOM 0 HB3 TYR A 44 -4.380 0.211 4.142 1.00 11.21 H new ATOM 0 HD1 TYR A 44 -6.659 -0.283 5.101 1.00 22.22 H new ATOM 0 HD2 TYR A 44 -5.193 3.708 4.764 1.00 62.52 H new ATOM 0 HE1 TYR A 44 -8.944 0.577 5.350 1.00 42.13 H new ATOM 0 HE2 TYR A 44 -7.480 4.566 5.018 1.00 24.34 H new ATOM 0 HH TYR A 44 -9.625 4.077 5.296 1.00 53.52 H new ATOM 694 N LEU A 45 -1.428 0.361 5.221 1.00 23.13 N ATOM 695 CA LEU A 45 -0.226 -0.424 4.903 1.00 1.33 C ATOM 696 C LEU A 45 0.389 -1.059 6.163 1.00 52.44 C ATOM 697 O LEU A 45 0.860 -2.198 6.137 1.00 63.25 O ATOM 698 CB LEU A 45 0.804 0.469 4.203 1.00 34.14 C ATOM 699 CG LEU A 45 0.321 1.093 2.884 1.00 40.25 C ATOM 700 CD1 LEU A 45 1.369 2.037 2.308 1.00 4.22 C ATOM 701 CD2 LEU A 45 -0.043 0.006 1.877 1.00 32.02 C ATOM 0 H LEU A 45 -1.381 1.335 4.923 1.00 23.13 H new ATOM 0 HA LEU A 45 -0.519 -1.235 4.237 1.00 1.33 H new ATOM 0 HB2 LEU A 45 1.093 1.270 4.884 1.00 34.14 H new ATOM 0 HB3 LEU A 45 1.700 -0.119 4.004 1.00 34.14 H new ATOM 0 HG LEU A 45 -0.574 1.678 3.095 1.00 40.25 H new ATOM 0 HD11 LEU A 45 1.001 2.464 1.375 1.00 4.22 H new ATOM 0 HD12 LEU A 45 1.568 2.838 3.020 1.00 4.22 H new ATOM 0 HD13 LEU A 45 2.289 1.485 2.116 1.00 4.22 H new ATOM 0 HD21 LEU A 45 -0.383 0.468 0.950 1.00 32.02 H new ATOM 0 HD22 LEU A 45 0.833 -0.611 1.675 1.00 32.02 H new ATOM 0 HD23 LEU A 45 -0.839 -0.616 2.285 1.00 32.02 H new ATOM 713 N GLU A 46 0.365 -0.311 7.263 1.00 12.24 N ATOM 714 CA GLU A 46 0.898 -0.777 8.546 1.00 33.25 C ATOM 715 C GLU A 46 0.137 -2.024 9.040 1.00 13.45 C ATOM 716 O GLU A 46 0.739 -3.063 9.322 1.00 2.11 O ATOM 717 CB GLU A 46 0.812 0.364 9.579 1.00 73.44 C ATOM 718 CG GLU A 46 1.683 0.191 10.826 1.00 63.24 C ATOM 719 CD GLU A 46 1.204 -0.903 11.768 1.00 51.41 C ATOM 720 OE1 GLU A 46 0.072 -0.792 12.289 1.00 30.34 O ATOM 721 OE2 GLU A 46 1.956 -1.872 11.996 1.00 11.21 O ATOM 0 H GLU A 46 -0.022 0.632 7.293 1.00 12.24 H new ATOM 0 HA GLU A 46 1.942 -1.062 8.415 1.00 33.25 H new ATOM 0 HB2 GLU A 46 1.091 1.296 9.089 1.00 73.44 H new ATOM 0 HB3 GLU A 46 -0.226 0.468 9.894 1.00 73.44 H new ATOM 0 HG2 GLU A 46 2.704 -0.032 10.516 1.00 63.24 H new ATOM 0 HG3 GLU A 46 1.714 1.136 11.369 1.00 63.24 H new ATOM 728 N GLN A 47 -1.192 -1.925 9.121 1.00 23.33 N ATOM 729 CA GLN A 47 -2.016 -3.038 9.617 1.00 73.32 C ATOM 730 C GLN A 47 -2.001 -4.237 8.649 1.00 31.42 C ATOM 731 O GLN A 47 -1.948 -5.390 9.084 1.00 41.22 O ATOM 732 CB GLN A 47 -3.452 -2.568 9.907 1.00 14.04 C ATOM 733 CG GLN A 47 -4.181 -1.973 8.707 1.00 12.35 C ATOM 734 CD GLN A 47 -5.490 -1.306 9.094 1.00 25.35 C ATOM 735 OE1 GLN A 47 -6.542 -1.934 9.126 1.00 60.32 O ATOM 736 NE2 GLN A 47 -5.429 -0.026 9.404 1.00 24.11 N ATOM 0 H GLN A 47 -1.720 -1.095 8.853 1.00 23.33 H new ATOM 0 HA GLN A 47 -1.578 -3.381 10.554 1.00 73.32 H new ATOM 0 HB2 GLN A 47 -4.028 -3.414 10.282 1.00 14.04 H new ATOM 0 HB3 GLN A 47 -3.423 -1.824 10.703 1.00 14.04 H new ATOM 0 HG2 GLN A 47 -3.535 -1.243 8.219 1.00 12.35 H new ATOM 0 HG3 GLN A 47 -4.379 -2.760 7.979 1.00 12.35 H new ATOM 0 HE21 GLN A 47 -4.536 0.466 9.367 1.00 24.11 H new ATOM 0 HE22 GLN A 47 -6.275 0.472 9.681 1.00 24.11 H new ATOM 745 N LEU A 48 -2.029 -3.967 7.339 1.00 21.20 N ATOM 746 CA LEU A 48 -1.886 -5.027 6.330 1.00 74.20 C ATOM 747 C LEU A 48 -0.529 -5.732 6.469 1.00 45.23 C ATOM 748 O LEU A 48 -0.413 -6.941 6.260 1.00 13.32 O ATOM 749 CB LEU A 48 -2.043 -4.454 4.912 1.00 23.02 C ATOM 750 CG LEU A 48 -3.454 -3.952 4.560 1.00 73.10 C ATOM 751 CD1 LEU A 48 -3.473 -3.323 3.168 1.00 42.02 C ATOM 752 CD2 LEU A 48 -4.466 -5.091 4.656 1.00 4.21 C ATOM 0 H LEU A 48 -2.148 -3.031 6.953 1.00 21.20 H new ATOM 0 HA LEU A 48 -2.676 -5.759 6.498 1.00 74.20 H new ATOM 0 HB2 LEU A 48 -1.341 -3.629 4.791 1.00 23.02 H new ATOM 0 HB3 LEU A 48 -1.759 -5.223 4.193 1.00 23.02 H new ATOM 0 HG LEU A 48 -3.735 -3.184 5.280 1.00 73.10 H new ATOM 0 HD11 LEU A 48 -4.480 -2.975 2.940 1.00 42.02 H new ATOM 0 HD12 LEU A 48 -2.783 -2.480 3.140 1.00 42.02 H new ATOM 0 HD13 LEU A 48 -3.169 -4.065 2.429 1.00 42.02 H new ATOM 0 HD21 LEU A 48 -5.459 -4.718 4.404 1.00 4.21 H new ATOM 0 HD22 LEU A 48 -4.189 -5.884 3.961 1.00 4.21 H new ATOM 0 HD23 LEU A 48 -4.474 -5.486 5.672 1.00 4.21 H new ATOM 764 N HIS A 49 0.496 -4.968 6.834 1.00 12.33 N ATOM 765 CA HIS A 49 1.820 -5.529 7.112 1.00 50.55 C ATOM 766 C HIS A 49 1.805 -6.413 8.369 1.00 11.41 C ATOM 767 O HIS A 49 2.343 -7.522 8.367 1.00 31.15 O ATOM 768 CB HIS A 49 2.849 -4.398 7.272 1.00 62.21 C ATOM 769 CG HIS A 49 4.129 -4.827 7.928 1.00 71.44 C ATOM 770 ND1 HIS A 49 4.874 -5.902 7.495 1.00 50.01 N ATOM 771 CD2 HIS A 49 4.780 -4.342 9.014 1.00 53.33 C ATOM 772 CE1 HIS A 49 5.919 -6.059 8.280 1.00 15.50 C ATOM 773 NE2 HIS A 49 5.890 -5.127 9.211 1.00 5.30 N ATOM 0 H HIS A 49 0.438 -3.956 6.945 1.00 12.33 H new ATOM 0 HA HIS A 49 2.102 -6.156 6.267 1.00 50.55 H new ATOM 0 HB2 HIS A 49 3.077 -3.986 6.289 1.00 62.21 H new ATOM 0 HB3 HIS A 49 2.403 -3.595 7.859 1.00 62.21 H new ATOM 0 HD1 HIS A 49 4.650 -6.487 6.690 1.00 50.01 H new ATOM 0 HD2 HIS A 49 4.481 -3.495 9.614 1.00 53.33 H new ATOM 0 HE1 HIS A 49 6.674 -6.824 8.178 1.00 15.50 H new ATOM 782 N ASP A 50 1.185 -5.917 9.434 1.00 53.55 N ATOM 783 CA ASP A 50 1.200 -6.598 10.731 1.00 51.22 C ATOM 784 C ASP A 50 0.445 -7.943 10.694 1.00 53.03 C ATOM 785 O ASP A 50 0.904 -8.935 11.268 1.00 73.12 O ATOM 786 CB ASP A 50 0.595 -5.683 11.800 1.00 14.12 C ATOM 787 CG ASP A 50 0.992 -6.097 13.205 1.00 1.21 C ATOM 788 OD1 ASP A 50 2.154 -5.847 13.587 1.00 33.24 O ATOM 789 OD2 ASP A 50 0.151 -6.669 13.932 1.00 73.34 O ATOM 0 H ASP A 50 0.662 -5.041 9.428 1.00 53.55 H new ATOM 0 HA ASP A 50 2.239 -6.819 10.976 1.00 51.22 H new ATOM 0 HB2 ASP A 50 0.917 -4.657 11.621 1.00 14.12 H new ATOM 0 HB3 ASP A 50 -0.491 -5.696 11.713 1.00 14.12 H new ATOM 794 N VAL A 51 -0.708 -7.974 10.022 1.00 4.33 N ATOM 795 CA VAL A 51 -1.521 -9.199 9.930 1.00 11.51 C ATOM 796 C VAL A 51 -0.867 -10.264 9.027 1.00 34.01 C ATOM 797 O VAL A 51 -1.213 -11.445 9.092 1.00 55.41 O ATOM 798 CB VAL A 51 -2.955 -8.894 9.419 1.00 21.54 C ATOM 799 CG1 VAL A 51 -3.677 -7.951 10.382 1.00 45.42 C ATOM 800 CG2 VAL A 51 -2.916 -8.308 8.008 1.00 53.02 C ATOM 0 H VAL A 51 -1.103 -7.170 9.534 1.00 4.33 H new ATOM 0 HA VAL A 51 -1.583 -9.599 10.942 1.00 11.51 H new ATOM 0 HB VAL A 51 -3.511 -9.831 9.377 1.00 21.54 H new ATOM 0 HG11 VAL A 51 -4.681 -7.748 10.008 1.00 45.42 H new ATOM 0 HG12 VAL A 51 -3.743 -8.416 11.366 1.00 45.42 H new ATOM 0 HG13 VAL A 51 -3.123 -7.016 10.460 1.00 45.42 H new ATOM 0 HG21 VAL A 51 -3.932 -8.102 7.671 1.00 53.02 H new ATOM 0 HG22 VAL A 51 -2.341 -7.382 8.014 1.00 53.02 H new ATOM 0 HG23 VAL A 51 -2.447 -9.021 7.331 1.00 53.02 H new ATOM 810 N GLY A 52 0.083 -9.841 8.193 1.00 74.32 N ATOM 811 CA GLY A 52 0.809 -10.785 7.342 1.00 33.23 C ATOM 812 C GLY A 52 0.402 -10.744 5.867 1.00 13.50 C ATOM 813 O GLY A 52 0.481 -11.756 5.174 1.00 13.21 O ATOM 0 H GLY A 52 0.365 -8.866 8.088 1.00 74.32 H new ATOM 0 HA2 GLY A 52 1.876 -10.578 7.418 1.00 33.23 H new ATOM 0 HA3 GLY A 52 0.652 -11.794 7.722 1.00 33.23 H new ATOM 817 N VAL A 53 -0.043 -9.585 5.387 1.00 75.12 N ATOM 818 CA VAL A 53 -0.346 -9.406 3.959 1.00 74.32 C ATOM 819 C VAL A 53 0.856 -8.803 3.215 1.00 54.10 C ATOM 820 O VAL A 53 1.280 -9.311 2.174 1.00 75.31 O ATOM 821 CB VAL A 53 -1.579 -8.486 3.744 1.00 3.42 C ATOM 822 CG1 VAL A 53 -1.862 -8.280 2.256 1.00 33.10 C ATOM 823 CG2 VAL A 53 -2.811 -9.051 4.451 1.00 2.52 C ATOM 0 H VAL A 53 -0.203 -8.756 5.959 1.00 75.12 H new ATOM 0 HA VAL A 53 -0.569 -10.395 3.560 1.00 74.32 H new ATOM 0 HB VAL A 53 -1.347 -7.515 4.181 1.00 3.42 H new ATOM 0 HG11 VAL A 53 -2.730 -7.632 2.137 1.00 33.10 H new ATOM 0 HG12 VAL A 53 -0.996 -7.818 1.782 1.00 33.10 H new ATOM 0 HG13 VAL A 53 -2.061 -9.243 1.787 1.00 33.10 H new ATOM 0 HG21 VAL A 53 -3.661 -8.389 4.286 1.00 2.52 H new ATOM 0 HG22 VAL A 53 -3.038 -10.040 4.052 1.00 2.52 H new ATOM 0 HG23 VAL A 53 -2.614 -9.128 5.520 1.00 2.52 H new ATOM 833 N LEU A 54 1.403 -7.718 3.762 1.00 72.21 N ATOM 834 CA LEU A 54 2.530 -7.015 3.137 1.00 63.33 C ATOM 835 C LEU A 54 3.818 -7.141 3.971 1.00 3.30 C ATOM 836 O LEU A 54 3.793 -7.043 5.199 1.00 22.24 O ATOM 837 CB LEU A 54 2.184 -5.529 2.951 1.00 75.31 C ATOM 838 CG LEU A 54 0.953 -5.238 2.075 1.00 4.33 C ATOM 839 CD1 LEU A 54 0.697 -3.733 1.984 1.00 30.22 C ATOM 840 CD2 LEU A 54 1.122 -5.844 0.684 1.00 53.43 C ATOM 0 H LEU A 54 1.085 -7.304 4.638 1.00 72.21 H new ATOM 0 HA LEU A 54 2.709 -7.480 2.168 1.00 63.33 H new ATOM 0 HB2 LEU A 54 2.021 -5.086 3.934 1.00 75.31 H new ATOM 0 HB3 LEU A 54 3.046 -5.026 2.514 1.00 75.31 H new ATOM 0 HG LEU A 54 0.085 -5.703 2.543 1.00 4.33 H new ATOM 0 HD11 LEU A 54 -0.178 -3.550 1.360 1.00 30.22 H new ATOM 0 HD12 LEU A 54 0.521 -3.333 2.982 1.00 30.22 H new ATOM 0 HD13 LEU A 54 1.565 -3.242 1.545 1.00 30.22 H new ATOM 0 HD21 LEU A 54 0.240 -5.626 0.082 1.00 53.43 H new ATOM 0 HD22 LEU A 54 2.003 -5.416 0.205 1.00 53.43 H new ATOM 0 HD23 LEU A 54 1.244 -6.924 0.770 1.00 53.43 H new ATOM 852 N GLU A 55 4.943 -7.351 3.293 1.00 61.01 N ATOM 853 CA GLU A 55 6.257 -7.387 3.944 1.00 64.13 C ATOM 854 C GLU A 55 6.893 -5.985 3.934 1.00 22.13 C ATOM 855 O GLU A 55 6.698 -5.214 2.992 1.00 4.24 O ATOM 856 CB GLU A 55 7.171 -8.395 3.231 1.00 31.21 C ATOM 857 CG GLU A 55 8.521 -8.599 3.912 1.00 21.40 C ATOM 858 CD GLU A 55 9.447 -9.510 3.123 1.00 61.22 C ATOM 859 OE1 GLU A 55 9.315 -10.747 3.232 1.00 22.21 O ATOM 860 OE2 GLU A 55 10.316 -8.988 2.389 1.00 55.01 O ATOM 0 H GLU A 55 4.974 -7.500 2.284 1.00 61.01 H new ATOM 0 HA GLU A 55 6.130 -7.703 4.979 1.00 64.13 H new ATOM 0 HB2 GLU A 55 6.658 -9.355 3.170 1.00 31.21 H new ATOM 0 HB3 GLU A 55 7.339 -8.057 2.208 1.00 31.21 H new ATOM 0 HG2 GLU A 55 9.003 -7.631 4.051 1.00 21.40 H new ATOM 0 HG3 GLU A 55 8.362 -9.021 4.904 1.00 21.40 H new ATOM 867 N LYS A 56 7.652 -5.658 4.979 1.00 74.41 N ATOM 868 CA LYS A 56 8.205 -4.303 5.137 1.00 30.41 C ATOM 869 C LYS A 56 9.560 -4.143 4.428 1.00 63.54 C ATOM 870 O LYS A 56 10.406 -5.040 4.471 1.00 32.11 O ATOM 871 CB LYS A 56 8.367 -3.965 6.631 1.00 43.52 C ATOM 872 CG LYS A 56 9.498 -4.729 7.319 1.00 3.00 C ATOM 873 CD LYS A 56 9.593 -4.403 8.806 1.00 0.51 C ATOM 874 CE LYS A 56 10.839 -5.014 9.440 1.00 21.12 C ATOM 875 NZ LYS A 56 10.928 -6.484 9.208 1.00 71.43 N ATOM 0 H LYS A 56 7.900 -6.305 5.728 1.00 74.41 H new ATOM 0 HA LYS A 56 7.500 -3.613 4.673 1.00 30.41 H new ATOM 0 HB2 LYS A 56 8.549 -2.895 6.734 1.00 43.52 H new ATOM 0 HB3 LYS A 56 7.431 -4.180 7.146 1.00 43.52 H new ATOM 0 HG2 LYS A 56 9.340 -5.800 7.193 1.00 3.00 H new ATOM 0 HG3 LYS A 56 10.444 -4.488 6.835 1.00 3.00 H new ATOM 0 HD2 LYS A 56 9.609 -3.322 8.941 1.00 0.51 H new ATOM 0 HD3 LYS A 56 8.705 -4.775 9.317 1.00 0.51 H new ATOM 0 HE2 LYS A 56 11.726 -4.530 9.032 1.00 21.12 H new ATOM 0 HE3 LYS A 56 10.832 -4.817 10.512 1.00 21.12 H new ATOM 0 HZ1 LYS A 56 11.701 -6.880 9.780 1.00 71.43 H new ATOM 0 HZ2 LYS A 56 10.031 -6.933 9.481 1.00 71.43 H new ATOM 0 HZ3 LYS A 56 11.114 -6.666 8.201 1.00 71.43 H new ATOM 889 N VAL A 57 9.756 -3.004 3.769 1.00 3.20 N ATOM 890 CA VAL A 57 11.054 -2.653 3.182 1.00 53.51 C ATOM 891 C VAL A 57 11.439 -1.207 3.550 1.00 72.43 C ATOM 892 O VAL A 57 10.833 -0.248 3.068 1.00 31.01 O ATOM 893 CB VAL A 57 11.054 -2.812 1.637 1.00 13.21 C ATOM 894 CG1 VAL A 57 12.427 -2.476 1.053 1.00 13.15 C ATOM 895 CG2 VAL A 57 10.624 -4.221 1.228 1.00 23.52 C ATOM 0 H VAL A 57 9.030 -2.302 3.626 1.00 3.20 H new ATOM 0 HA VAL A 57 11.789 -3.344 3.594 1.00 53.51 H new ATOM 0 HB VAL A 57 10.329 -2.107 1.231 1.00 13.21 H new ATOM 0 HG11 VAL A 57 12.401 -2.595 -0.030 1.00 13.15 H new ATOM 0 HG12 VAL A 57 12.685 -1.446 1.299 1.00 13.15 H new ATOM 0 HG13 VAL A 57 13.176 -3.147 1.474 1.00 13.15 H new ATOM 0 HG21 VAL A 57 10.633 -4.303 0.141 1.00 23.52 H new ATOM 0 HG22 VAL A 57 11.314 -4.950 1.653 1.00 23.52 H new ATOM 0 HG23 VAL A 57 9.617 -4.416 1.598 1.00 23.52 H new ATOM 1002 N LEU A 66 8.622 1.516 1.789 1.00 65.44 N ATOM 1003 CA LEU A 66 8.569 0.569 0.673 1.00 62.20 C ATOM 1004 C LEU A 66 7.882 -0.733 1.111 1.00 2.44 C ATOM 1005 O LEU A 66 8.214 -1.307 2.150 1.00 5.00 O ATOM 1006 CB LEU A 66 9.977 0.275 0.142 1.00 15.31 C ATOM 1007 CG LEU A 66 10.748 1.491 -0.403 1.00 3.43 C ATOM 1008 CD1 LEU A 66 12.156 1.092 -0.836 1.00 2.33 C ATOM 1009 CD2 LEU A 66 9.988 2.139 -1.562 1.00 12.04 C ATOM 0 HA LEU A 66 7.987 1.020 -0.131 1.00 62.20 H new ATOM 0 HB2 LEU A 66 10.562 -0.174 0.944 1.00 15.31 H new ATOM 0 HB3 LEU A 66 9.899 -0.469 -0.651 1.00 15.31 H new ATOM 0 HG LEU A 66 10.836 2.224 0.399 1.00 3.43 H new ATOM 0 HD11 LEU A 66 12.681 1.968 -1.217 1.00 2.33 H new ATOM 0 HD12 LEU A 66 12.698 0.687 0.018 1.00 2.33 H new ATOM 0 HD13 LEU A 66 12.095 0.336 -1.619 1.00 2.33 H new ATOM 0 HD21 LEU A 66 10.551 2.996 -1.932 1.00 12.04 H new ATOM 0 HD22 LEU A 66 9.862 1.413 -2.366 1.00 12.04 H new ATOM 0 HD23 LEU A 66 9.009 2.470 -1.215 1.00 12.04 H new ATOM 1021 N TRP A 67 6.921 -1.192 0.321 1.00 31.41 N ATOM 1022 CA TRP A 67 6.125 -2.366 0.681 1.00 61.43 C ATOM 1023 C TRP A 67 6.097 -3.404 -0.447 1.00 73.11 C ATOM 1024 O TRP A 67 6.130 -3.063 -1.630 1.00 51.01 O ATOM 1025 CB TRP A 67 4.690 -1.942 1.026 1.00 15.25 C ATOM 1026 CG TRP A 67 4.622 -0.841 2.046 1.00 42.12 C ATOM 1027 CD1 TRP A 67 4.495 0.497 1.803 1.00 11.24 C ATOM 1028 CD2 TRP A 67 4.696 -0.983 3.470 1.00 62.21 C ATOM 1029 NE1 TRP A 67 4.473 1.192 2.987 1.00 1.44 N ATOM 1030 CE2 TRP A 67 4.595 0.307 4.024 1.00 1.44 C ATOM 1031 CE3 TRP A 67 4.834 -2.077 4.332 1.00 41.43 C ATOM 1032 CZ2 TRP A 67 4.629 0.533 5.398 1.00 22.54 C ATOM 1033 CZ3 TRP A 67 4.867 -1.850 5.695 1.00 4.44 C ATOM 1034 CH2 TRP A 67 4.765 -0.555 6.217 1.00 74.10 C ATOM 0 H TRP A 67 6.671 -0.772 -0.574 1.00 31.41 H new ATOM 0 HA TRP A 67 6.594 -2.827 1.550 1.00 61.43 H new ATOM 0 HB2 TRP A 67 4.187 -1.616 0.116 1.00 15.25 H new ATOM 0 HB3 TRP A 67 4.143 -2.808 1.400 1.00 15.25 H new ATOM 0 HD1 TRP A 67 4.422 0.943 0.822 1.00 11.24 H new ATOM 0 HE1 TRP A 67 4.381 2.204 3.079 1.00 1.44 H new ATOM 0 HE3 TRP A 67 4.913 -3.080 3.939 1.00 41.43 H new ATOM 0 HZ2 TRP A 67 4.551 1.531 5.803 1.00 22.54 H new ATOM 0 HZ3 TRP A 67 4.973 -2.687 6.369 1.00 4.44 H new ATOM 0 HH2 TRP A 67 4.794 -0.412 7.287 1.00 74.10 H new ATOM 1045 N ARG A 68 6.042 -4.673 -0.066 1.00 2.42 N ATOM 1046 CA ARG A 68 5.896 -5.770 -1.026 1.00 50.42 C ATOM 1047 C ARG A 68 4.915 -6.813 -0.485 1.00 72.13 C ATOM 1048 O ARG A 68 4.493 -6.738 0.666 1.00 13.21 O ATOM 1049 CB ARG A 68 7.256 -6.422 -1.318 1.00 73.30 C ATOM 1050 CG ARG A 68 7.938 -6.998 -0.080 1.00 1.52 C ATOM 1051 CD ARG A 68 9.222 -7.745 -0.425 1.00 70.24 C ATOM 1052 NE ARG A 68 8.975 -8.924 -1.259 1.00 51.02 N ATOM 1053 CZ ARG A 68 9.574 -10.077 -1.095 1.00 64.23 C ATOM 1054 NH1 ARG A 68 10.360 -10.274 -0.081 1.00 45.14 N ATOM 1055 NH2 ARG A 68 9.352 -11.047 -1.922 1.00 14.31 N ATOM 0 H ARG A 68 6.096 -4.974 0.907 1.00 2.42 H new ATOM 0 HA ARG A 68 5.504 -5.363 -1.958 1.00 50.42 H new ATOM 0 HB2 ARG A 68 7.118 -7.218 -2.050 1.00 73.30 H new ATOM 0 HB3 ARG A 68 7.914 -5.682 -1.773 1.00 73.30 H new ATOM 0 HG2 ARG A 68 8.165 -6.191 0.616 1.00 1.52 H new ATOM 0 HG3 ARG A 68 7.252 -7.675 0.429 1.00 1.52 H new ATOM 0 HD2 ARG A 68 9.903 -7.071 -0.946 1.00 70.24 H new ATOM 0 HD3 ARG A 68 9.719 -8.052 0.495 1.00 70.24 H new ATOM 0 HE ARG A 68 8.294 -8.842 -2.014 1.00 51.02 H new ATOM 0 HH11 ARG A 68 10.515 -9.527 0.596 1.00 45.14 H new ATOM 0 HH12 ARG A 68 10.822 -11.175 0.038 1.00 45.14 H new ATOM 0 HH21 ARG A 68 8.710 -10.914 -2.703 1.00 14.31 H new ATOM 0 HH22 ARG A 68 9.819 -11.944 -1.793 1.00 14.31 H new ATOM 1069 N LEU A 69 4.556 -7.790 -1.305 1.00 24.32 N ATOM 1070 CA LEU A 69 3.655 -8.861 -0.864 1.00 71.13 C ATOM 1071 C LEU A 69 4.415 -10.187 -0.711 1.00 32.45 C ATOM 1072 O LEU A 69 5.570 -10.301 -1.126 1.00 32.03 O ATOM 1073 CB LEU A 69 2.446 -8.992 -1.817 1.00 12.44 C ATOM 1074 CG LEU A 69 2.742 -8.883 -3.326 1.00 74.24 C ATOM 1075 CD1 LEU A 69 3.539 -10.081 -3.827 1.00 23.42 C ATOM 1076 CD2 LEU A 69 1.445 -8.731 -4.119 1.00 50.14 C ATOM 0 H LEU A 69 4.868 -7.869 -2.273 1.00 24.32 H new ATOM 0 HA LEU A 69 3.263 -8.599 0.119 1.00 71.13 H new ATOM 0 HB2 LEU A 69 1.969 -9.954 -1.632 1.00 12.44 H new ATOM 0 HB3 LEU A 69 1.721 -8.221 -1.555 1.00 12.44 H new ATOM 0 HG LEU A 69 3.351 -7.992 -3.480 1.00 74.24 H new ATOM 0 HD11 LEU A 69 3.730 -9.971 -4.895 1.00 23.42 H new ATOM 0 HD12 LEU A 69 4.488 -10.136 -3.293 1.00 23.42 H new ATOM 0 HD13 LEU A 69 2.971 -10.995 -3.652 1.00 23.42 H new ATOM 0 HD21 LEU A 69 1.675 -8.656 -5.182 1.00 50.14 H new ATOM 0 HD22 LEU A 69 0.809 -9.599 -3.946 1.00 50.14 H new ATOM 0 HD23 LEU A 69 0.924 -7.830 -3.796 1.00 50.14 H new ATOM 1088 N LEU A 70 3.773 -11.179 -0.104 1.00 61.05 N ATOM 1089 CA LEU A 70 4.419 -12.469 0.152 1.00 61.55 C ATOM 1090 C LEU A 70 4.658 -13.255 -1.151 1.00 43.30 C ATOM 1091 O LEU A 70 3.903 -14.168 -1.491 1.00 61.11 O ATOM 1092 CB LEU A 70 3.573 -13.300 1.127 1.00 25.12 C ATOM 1093 CG LEU A 70 3.244 -12.608 2.463 1.00 34.31 C ATOM 1094 CD1 LEU A 70 2.390 -13.513 3.346 1.00 63.41 C ATOM 1095 CD2 LEU A 70 4.525 -12.194 3.190 1.00 43.31 C ATOM 0 H LEU A 70 2.808 -11.119 0.221 1.00 61.05 H new ATOM 0 HA LEU A 70 5.392 -12.270 0.600 1.00 61.55 H new ATOM 0 HB2 LEU A 70 2.638 -13.568 0.635 1.00 25.12 H new ATOM 0 HB3 LEU A 70 4.100 -14.231 1.338 1.00 25.12 H new ATOM 0 HG LEU A 70 2.671 -11.707 2.245 1.00 34.31 H new ATOM 0 HD11 LEU A 70 2.170 -13.004 4.284 1.00 63.41 H new ATOM 0 HD12 LEU A 70 1.457 -13.747 2.833 1.00 63.41 H new ATOM 0 HD13 LEU A 70 2.932 -14.436 3.553 1.00 63.41 H new ATOM 0 HD21 LEU A 70 4.268 -11.707 4.131 1.00 43.31 H new ATOM 0 HD22 LEU A 70 5.131 -13.078 3.392 1.00 43.31 H new ATOM 0 HD23 LEU A 70 5.090 -11.502 2.566 1.00 43.31 H new