USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 543 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 LYS NZ :NH3+ -129:sc= 1.19 (180deg=-1.26) USER MOD Set 1.2: A 60 HIS :FLIP no HD1:sc= -5.95! C(o=-10!,f=-4.8!) USER MOD Single : A 13 TYR OH : rot 30:sc= -0.0769 USER MOD Single : A 14 LYS NZ :NH3+ -170:sc= -0.352 (180deg=-0.757) USER MOD Single : A 15 SER OG : rot 180:sc= 0.00961 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -4.4 K(o=-4.4,f=-7.8!) USER MOD Single : A 21 TYR OH : rot -95:sc= -1.46! USER MOD Single : A 28 MET CE :methyl 158:sc= -0.0904 (180deg=-0.508) USER MOD Single : A 33 TYR OH : rot 90:sc= -0.691 USER MOD Single : A 36 SER OG : rot -162:sc= 1.08 USER MOD Single : A 37 LYS NZ :NH3+ -167:sc= -1.41 (180deg=-1.83) USER MOD Single : A 43 HIS :FLIP no HD1:sc= -0.414 F(o=-1,f=-0.41) USER MOD Single : A 44 ASN : amide:sc= -3.81 K(o=-3.8,f=-12!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl -116:sc= -1.64 (180deg=-4.07!) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 160:sc= -15.8! USER MOD Single : A 71 GLN : amide:sc= -0.114 K(o=-0.11,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 94 N ASP A 7 -4.576 9.828 6.946 1.00 0.00 N ATOM 95 CA ASP A 7 -5.461 10.139 5.825 1.00 0.00 C ATOM 96 C ASP A 7 -5.244 11.573 5.327 1.00 0.00 C ATOM 97 O ASP A 7 -5.589 11.907 4.195 1.00 0.00 O ATOM 98 CB ASP A 7 -6.921 9.954 6.240 1.00 0.00 C ATOM 99 CG ASP A 7 -7.294 10.809 7.435 1.00 0.00 C ATOM 100 OD1 ASP A 7 -7.008 10.391 8.577 1.00 0.00 O ATOM 101 OD2 ASP A 7 -7.872 11.897 7.230 1.00 0.00 O ATOM 0 HA ASP A 7 -5.224 9.453 5.011 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.569 10.205 5.400 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -7.098 8.905 6.477 1.00 0.00 H new ATOM 106 N GLU A 8 -4.687 12.418 6.195 1.00 0.00 N ATOM 107 CA GLU A 8 -4.438 13.822 5.877 1.00 0.00 C ATOM 108 C GLU A 8 -3.666 13.990 4.572 1.00 0.00 C ATOM 109 O GLU A 8 -4.123 14.660 3.645 1.00 0.00 O ATOM 110 CB GLU A 8 -3.629 14.457 7.007 1.00 0.00 C ATOM 111 CG GLU A 8 -4.294 14.348 8.370 1.00 0.00 C ATOM 112 CD GLU A 8 -3.489 15.017 9.467 1.00 0.00 C ATOM 113 OE1 GLU A 8 -2.994 16.141 9.239 1.00 0.00 O ATOM 114 OE2 GLU A 8 -3.353 14.417 10.554 1.00 0.00 O ATOM 0 H GLU A 8 -4.397 12.149 7.135 1.00 0.00 H new ATOM 0 HA GLU A 8 -5.406 14.309 5.763 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.649 13.982 7.052 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.463 15.509 6.776 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.285 14.800 8.324 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.435 13.296 8.618 1.00 0.00 H new ATOM 121 N GLU A 9 -2.488 13.398 4.502 1.00 0.00 N ATOM 122 CA GLU A 9 -1.670 13.510 3.309 1.00 0.00 C ATOM 123 C GLU A 9 -2.345 12.840 2.119 1.00 0.00 C ATOM 124 O GLU A 9 -2.112 13.217 0.971 1.00 0.00 O ATOM 125 CB GLU A 9 -0.290 12.894 3.547 1.00 0.00 C ATOM 126 CG GLU A 9 0.811 13.533 2.715 1.00 0.00 C ATOM 127 CD GLU A 9 2.007 13.948 3.549 1.00 0.00 C ATOM 128 OE1 GLU A 9 1.815 14.290 4.735 1.00 0.00 O ATOM 129 OE2 GLU A 9 3.137 13.932 3.016 1.00 0.00 O ATOM 0 H GLU A 9 -2.079 12.839 5.251 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.549 14.569 3.082 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.037 12.987 4.603 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.333 11.828 3.322 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.135 12.831 1.947 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.411 14.407 2.200 1.00 0.00 H new ATOM 136 N TRP A 10 -3.169 11.831 2.392 1.00 0.00 N ATOM 137 CA TRP A 10 -3.847 11.107 1.323 1.00 0.00 C ATOM 138 C TRP A 10 -5.137 11.768 0.846 1.00 0.00 C ATOM 139 O TRP A 10 -5.567 11.509 -0.273 1.00 0.00 O ATOM 140 CB TRP A 10 -4.145 9.660 1.699 1.00 0.00 C ATOM 141 CG TRP A 10 -4.478 8.845 0.488 1.00 0.00 C ATOM 142 CD1 TRP A 10 -5.722 8.585 -0.008 1.00 0.00 C ATOM 143 CD2 TRP A 10 -3.550 8.213 -0.400 1.00 0.00 C ATOM 144 NE1 TRP A 10 -5.625 7.828 -1.149 1.00 0.00 N ATOM 145 CE2 TRP A 10 -4.302 7.582 -1.408 1.00 0.00 C ATOM 146 CE3 TRP A 10 -2.156 8.117 -0.439 1.00 0.00 C ATOM 147 CZ2 TRP A 10 -3.705 6.868 -2.444 1.00 0.00 C ATOM 148 CZ3 TRP A 10 -1.566 7.407 -1.467 1.00 0.00 C ATOM 149 CH2 TRP A 10 -2.340 6.791 -2.457 1.00 0.00 C ATOM 0 H TRP A 10 -3.381 11.500 3.333 1.00 0.00 H new ATOM 0 HA TRP A 10 -3.135 11.131 0.498 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -3.282 9.228 2.206 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -4.977 9.628 2.403 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -6.648 8.925 0.433 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -6.410 7.502 -1.712 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -1.551 8.589 0.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -4.299 6.392 -3.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -0.490 7.326 -1.507 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -1.849 6.243 -3.248 1.00 0.00 H new ATOM 160 N VAL A 11 -5.773 12.603 1.669 1.00 0.00 N ATOM 161 CA VAL A 11 -7.011 13.233 1.251 1.00 0.00 C ATOM 162 C VAL A 11 -6.721 14.100 0.063 1.00 0.00 C ATOM 163 O VAL A 11 -7.451 14.086 -0.930 1.00 0.00 O ATOM 164 CB VAL A 11 -7.693 14.073 2.362 1.00 0.00 C ATOM 165 CG1 VAL A 11 -6.672 14.750 3.257 1.00 0.00 C ATOM 166 CG2 VAL A 11 -8.623 15.111 1.750 1.00 0.00 C ATOM 0 H VAL A 11 -5.455 12.850 2.606 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.715 12.438 1.005 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.278 13.390 2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.187 15.329 4.023 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.047 13.994 3.733 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.047 15.414 2.659 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.093 15.691 2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.050 15.777 1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.392 14.609 1.163 1.00 0.00 H new ATOM 176 N GLU A 12 -5.633 14.838 0.155 1.00 0.00 N ATOM 177 CA GLU A 12 -5.248 15.682 -0.940 1.00 0.00 C ATOM 178 C GLU A 12 -4.981 14.807 -2.161 1.00 0.00 C ATOM 179 O GLU A 12 -5.219 15.196 -3.304 1.00 0.00 O ATOM 180 CB GLU A 12 -4.014 16.514 -0.588 1.00 0.00 C ATOM 181 CG GLU A 12 -3.894 17.797 -1.394 1.00 0.00 C ATOM 182 CD GLU A 12 -5.005 18.782 -1.090 1.00 0.00 C ATOM 183 OE1 GLU A 12 -5.116 19.210 0.079 1.00 0.00 O ATOM 184 OE2 GLU A 12 -5.765 19.127 -2.019 1.00 0.00 O ATOM 0 H GLU A 12 -5.014 14.866 0.965 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.056 16.381 -1.158 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.045 16.763 0.473 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.121 15.910 -0.748 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.932 18.264 -1.185 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.907 17.557 -2.457 1.00 0.00 H new ATOM 191 N TYR A 13 -4.493 13.609 -1.869 1.00 0.00 N ATOM 192 CA TYR A 13 -4.179 12.600 -2.878 1.00 0.00 C ATOM 193 C TYR A 13 -5.435 11.920 -3.419 1.00 0.00 C ATOM 194 O TYR A 13 -5.484 11.527 -4.583 1.00 0.00 O ATOM 195 CB TYR A 13 -3.223 11.559 -2.300 1.00 0.00 C ATOM 196 CG TYR A 13 -1.788 12.033 -2.243 1.00 0.00 C ATOM 197 CD1 TYR A 13 -1.463 13.256 -1.669 1.00 0.00 C ATOM 198 CD2 TYR A 13 -0.758 11.263 -2.767 1.00 0.00 C ATOM 199 CE1 TYR A 13 -0.154 13.696 -1.618 1.00 0.00 C ATOM 200 CE2 TYR A 13 0.554 11.695 -2.719 1.00 0.00 C ATOM 201 CZ TYR A 13 0.850 12.912 -2.144 1.00 0.00 C ATOM 202 OH TYR A 13 2.154 13.346 -2.094 1.00 0.00 O ATOM 0 H TYR A 13 -4.301 13.305 -0.915 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.699 13.110 -3.713 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.551 11.293 -1.295 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.276 10.653 -2.903 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.247 13.873 -1.256 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.986 10.310 -3.220 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.081 14.649 -1.168 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.343 11.082 -3.130 1.00 0.00 H new ATOM 0 HH TYR A 13 2.280 13.913 -1.304 1.00 0.00 H new ATOM 212 N LYS A 14 -6.434 11.745 -2.555 1.00 0.00 N ATOM 213 CA LYS A 14 -7.674 11.067 -2.927 1.00 0.00 C ATOM 214 C LYS A 14 -8.240 11.608 -4.239 1.00 0.00 C ATOM 215 O LYS A 14 -8.595 10.838 -5.132 1.00 0.00 O ATOM 216 CB LYS A 14 -8.727 11.255 -1.826 1.00 0.00 C ATOM 217 CG LYS A 14 -8.486 10.450 -0.551 1.00 0.00 C ATOM 218 CD LYS A 14 -9.643 10.626 0.425 1.00 0.00 C ATOM 219 CE LYS A 14 -9.179 10.684 1.875 1.00 0.00 C ATOM 220 NZ LYS A 14 -7.989 9.824 2.126 1.00 0.00 N ATOM 0 H LYS A 14 -6.408 12.066 -1.587 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.440 10.010 -3.054 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.772 12.312 -1.566 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.703 10.984 -2.229 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.370 9.395 -0.798 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.556 10.772 -0.082 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.183 11.542 0.183 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.345 9.801 0.304 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.940 11.715 2.136 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.994 10.371 2.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.815 9.763 3.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.163 8.871 1.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.157 10.237 1.657 1.00 0.00 H new ATOM 234 N SER A 15 -8.301 12.927 -4.365 1.00 0.00 N ATOM 235 CA SER A 15 -8.794 13.553 -5.572 1.00 0.00 C ATOM 236 C SER A 15 -7.761 13.415 -6.659 1.00 0.00 C ATOM 237 O SER A 15 -8.076 13.202 -7.830 1.00 0.00 O ATOM 238 CB SER A 15 -9.074 15.029 -5.325 1.00 0.00 C ATOM 239 OG SER A 15 -9.565 15.246 -4.013 1.00 0.00 O ATOM 0 H SER A 15 -8.012 13.582 -3.639 1.00 0.00 H new ATOM 0 HA SER A 15 -9.720 13.064 -5.874 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.161 15.605 -5.474 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.801 15.390 -6.052 1.00 0.00 H new ATOM 0 HG SER A 15 -9.735 16.202 -3.881 1.00 0.00 H new ATOM 245 N LYS A 16 -6.512 13.575 -6.247 1.00 0.00 N ATOM 246 CA LYS A 16 -5.401 13.507 -7.161 1.00 0.00 C ATOM 247 C LYS A 16 -5.136 12.085 -7.644 1.00 0.00 C ATOM 248 O LYS A 16 -4.309 11.867 -8.529 1.00 0.00 O ATOM 249 CB LYS A 16 -4.142 14.084 -6.513 1.00 0.00 C ATOM 250 CG LYS A 16 -4.301 15.522 -6.052 1.00 0.00 C ATOM 251 CD LYS A 16 -4.209 16.496 -7.217 1.00 0.00 C ATOM 252 CE LYS A 16 -3.381 17.719 -6.858 1.00 0.00 C ATOM 253 NZ LYS A 16 -3.503 18.793 -7.882 1.00 0.00 N ATOM 0 H LYS A 16 -6.250 13.754 -5.277 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.667 14.104 -8.033 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.867 13.466 -5.659 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.319 14.028 -7.225 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.263 15.641 -5.553 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.530 15.757 -5.318 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.765 15.995 -8.077 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.211 16.808 -7.512 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.702 18.103 -5.890 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.334 17.432 -6.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.923 19.609 -7.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.173 18.435 -8.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.498 19.086 -7.961 1.00 0.00 H new ATOM 267 N PHE A 17 -5.825 11.115 -7.051 1.00 0.00 N ATOM 268 CA PHE A 17 -5.631 9.714 -7.427 1.00 0.00 C ATOM 269 C PHE A 17 -6.931 9.053 -7.886 1.00 0.00 C ATOM 270 O PHE A 17 -6.922 7.903 -8.325 1.00 0.00 O ATOM 271 CB PHE A 17 -5.040 8.930 -6.250 1.00 0.00 C ATOM 272 CG PHE A 17 -3.551 8.729 -6.339 1.00 0.00 C ATOM 273 CD1 PHE A 17 -2.946 8.417 -7.547 1.00 0.00 C ATOM 274 CD2 PHE A 17 -2.757 8.851 -5.210 1.00 0.00 C ATOM 275 CE1 PHE A 17 -1.579 8.230 -7.626 1.00 0.00 C ATOM 276 CE2 PHE A 17 -1.389 8.666 -5.284 1.00 0.00 C ATOM 277 CZ PHE A 17 -0.800 8.355 -6.493 1.00 0.00 C ATOM 0 H PHE A 17 -6.516 11.268 -6.316 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.938 9.698 -8.268 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.271 9.455 -5.323 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.526 7.956 -6.194 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.550 8.319 -8.437 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.212 9.093 -4.261 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.121 7.986 -8.573 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.782 8.765 -4.396 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.269 8.210 -6.553 1.00 0.00 H new ATOM 287 N ASP A 18 -8.046 9.771 -7.780 1.00 0.00 N ATOM 288 CA ASP A 18 -9.345 9.233 -8.183 1.00 0.00 C ATOM 289 C ASP A 18 -9.799 8.114 -7.242 1.00 0.00 C ATOM 290 O ASP A 18 -10.805 7.450 -7.492 1.00 0.00 O ATOM 291 CB ASP A 18 -9.294 8.715 -9.624 1.00 0.00 C ATOM 292 CG ASP A 18 -8.769 9.754 -10.596 1.00 0.00 C ATOM 293 OD1 ASP A 18 -7.815 10.476 -10.238 1.00 0.00 O ATOM 294 OD2 ASP A 18 -9.312 9.845 -11.718 1.00 0.00 O ATOM 0 H ASP A 18 -8.078 10.725 -7.420 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.069 10.046 -8.125 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -8.660 7.829 -9.666 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.293 8.407 -9.931 1.00 0.00 H new ATOM 299 N LYS A 19 -9.061 7.922 -6.152 1.00 0.00 N ATOM 300 CA LYS A 19 -9.388 6.903 -5.162 1.00 0.00 C ATOM 301 C LYS A 19 -9.521 7.559 -3.795 1.00 0.00 C ATOM 302 O LYS A 19 -8.545 7.684 -3.055 1.00 0.00 O ATOM 303 CB LYS A 19 -8.305 5.824 -5.127 1.00 0.00 C ATOM 304 CG LYS A 19 -8.599 4.636 -6.027 1.00 0.00 C ATOM 305 CD LYS A 19 -7.822 3.404 -5.593 1.00 0.00 C ATOM 306 CE LYS A 19 -6.369 3.474 -6.037 1.00 0.00 C ATOM 307 NZ LYS A 19 -5.465 3.865 -4.919 1.00 0.00 N ATOM 0 H LYS A 19 -8.226 8.465 -5.932 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.332 6.429 -5.432 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.354 6.266 -5.423 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.188 5.472 -4.102 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.667 4.419 -6.008 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.342 4.886 -7.057 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.867 3.308 -4.508 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.289 2.512 -6.012 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.062 2.505 -6.430 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.272 4.193 -6.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.861 4.656 -5.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.034 4.158 -4.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.869 3.055 -4.655 1.00 0.00 H new ATOM 321 N ASN A 20 -10.726 8.020 -3.484 1.00 0.00 N ATOM 322 CA ASN A 20 -10.976 8.713 -2.229 1.00 0.00 C ATOM 323 C ASN A 20 -11.482 7.792 -1.122 1.00 0.00 C ATOM 324 O ASN A 20 -12.628 7.341 -1.146 1.00 0.00 O ATOM 325 CB ASN A 20 -11.983 9.844 -2.457 1.00 0.00 C ATOM 326 CG ASN A 20 -12.221 10.675 -1.212 1.00 0.00 C ATOM 327 OD1 ASN A 20 -12.485 10.141 -0.135 1.00 0.00 O ATOM 328 ND2 ASN A 20 -12.134 11.993 -1.356 1.00 0.00 N ATOM 0 H ASN A 20 -11.545 7.926 -4.085 1.00 0.00 H new ATOM 0 HA ASN A 20 -10.019 9.112 -1.894 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -11.622 10.491 -3.257 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -12.930 9.420 -2.792 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -12.289 12.605 -0.555 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -11.913 12.393 -2.268 1.00 0.00 H new ATOM 335 N TYR A 21 -10.632 7.570 -0.123 1.00 0.00 N ATOM 336 CA TYR A 21 -10.997 6.764 1.035 1.00 0.00 C ATOM 337 C TYR A 21 -10.498 7.458 2.305 1.00 0.00 C ATOM 338 O TYR A 21 -9.277 7.627 2.517 1.00 0.00 O ATOM 339 CB TYR A 21 -10.450 5.344 0.921 1.00 0.00 C ATOM 340 CG TYR A 21 -9.088 5.263 0.306 1.00 0.00 C ATOM 341 CD1 TYR A 21 -7.978 5.526 1.073 1.00 0.00 C ATOM 342 CD2 TYR A 21 -8.904 4.913 -1.025 1.00 0.00 C ATOM 343 CE1 TYR A 21 -6.720 5.448 0.548 1.00 0.00 C ATOM 344 CE2 TYR A 21 -7.635 4.831 -1.565 1.00 0.00 C ATOM 345 CZ TYR A 21 -6.544 5.100 -0.764 1.00 0.00 C ATOM 346 OH TYR A 21 -5.269 5.027 -1.273 1.00 0.00 O ATOM 0 H TYR A 21 -9.682 7.940 -0.094 1.00 0.00 H new ATOM 0 HA TYR A 21 -12.082 6.676 1.081 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -10.415 4.898 1.915 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -11.141 4.746 0.327 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.103 5.799 2.110 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.763 4.702 -1.645 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.862 5.661 1.169 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.499 4.560 -2.601 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.042 5.875 -1.710 1.00 0.00 H new ATOM 356 N GLU A 22 -11.487 7.892 3.102 1.00 0.00 N ATOM 357 CA GLU A 22 -11.295 8.644 4.348 1.00 0.00 C ATOM 358 C GLU A 22 -10.779 7.818 5.524 1.00 0.00 C ATOM 359 O GLU A 22 -10.536 6.617 5.417 1.00 0.00 O ATOM 360 CB GLU A 22 -12.607 9.324 4.743 1.00 0.00 C ATOM 361 CG GLU A 22 -12.490 10.832 4.894 1.00 0.00 C ATOM 362 CD GLU A 22 -13.837 11.524 4.892 1.00 0.00 C ATOM 363 OE1 GLU A 22 -14.515 11.508 5.940 1.00 0.00 O ATOM 364 OE2 GLU A 22 -14.217 12.083 3.840 1.00 0.00 O ATOM 0 H GLU A 22 -12.470 7.723 2.889 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.515 9.374 4.133 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.363 9.100 3.991 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.958 8.899 5.684 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.970 11.061 5.824 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.881 11.229 4.082 1.00 0.00 H new ATOM 371 N ALA A 23 -10.600 8.524 6.647 1.00 0.00 N ATOM 372 CA ALA A 23 -10.090 7.958 7.895 1.00 0.00 C ATOM 373 C ALA A 23 -10.677 6.589 8.233 1.00 0.00 C ATOM 374 O ALA A 23 -9.951 5.709 8.700 1.00 0.00 O ATOM 375 CB ALA A 23 -10.354 8.923 9.040 1.00 0.00 C ATOM 0 H ALA A 23 -10.810 9.520 6.712 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.020 7.810 7.752 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.973 8.499 9.969 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.852 9.870 8.841 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.427 9.093 9.132 1.00 0.00 H new ATOM 381 N GLU A 24 -11.979 6.396 8.025 1.00 0.00 N ATOM 382 CA GLU A 24 -12.593 5.109 8.353 1.00 0.00 C ATOM 383 C GLU A 24 -11.820 3.967 7.700 1.00 0.00 C ATOM 384 O GLU A 24 -11.313 3.077 8.384 1.00 0.00 O ATOM 385 CB GLU A 24 -14.053 5.083 7.892 1.00 0.00 C ATOM 386 CG GLU A 24 -14.988 5.876 8.792 1.00 0.00 C ATOM 387 CD GLU A 24 -15.554 5.041 9.925 1.00 0.00 C ATOM 388 OE1 GLU A 24 -14.758 4.549 10.753 1.00 0.00 O ATOM 389 OE2 GLU A 24 -16.791 4.881 9.984 1.00 0.00 O ATOM 0 H GLU A 24 -12.616 7.094 7.641 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.562 4.979 9.435 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.113 5.481 6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.394 4.049 7.849 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.450 6.728 9.207 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.808 6.276 8.196 1.00 0.00 H new ATOM 396 N GLU A 25 -11.687 4.027 6.382 1.00 0.00 N ATOM 397 CA GLU A 25 -10.923 3.030 5.642 1.00 0.00 C ATOM 398 C GLU A 25 -9.431 3.284 5.834 1.00 0.00 C ATOM 399 O GLU A 25 -8.621 2.360 5.905 1.00 0.00 O ATOM 400 CB GLU A 25 -11.283 3.072 4.155 1.00 0.00 C ATOM 401 CG GLU A 25 -11.880 1.774 3.637 1.00 0.00 C ATOM 402 CD GLU A 25 -11.917 1.711 2.123 1.00 0.00 C ATOM 403 OE1 GLU A 25 -12.174 2.759 1.493 1.00 0.00 O ATOM 404 OE2 GLU A 25 -11.690 0.616 1.568 1.00 0.00 O ATOM 0 H GLU A 25 -12.099 4.757 5.801 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.170 2.039 6.024 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.992 3.882 3.984 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.387 3.306 3.579 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.299 0.934 4.018 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.892 1.663 4.026 1.00 0.00 H new ATOM 411 N ASP A 26 -9.095 4.570 5.889 1.00 0.00 N ATOM 412 CA ASP A 26 -7.721 5.035 6.039 1.00 0.00 C ATOM 413 C ASP A 26 -7.045 4.513 7.297 1.00 0.00 C ATOM 414 O ASP A 26 -5.827 4.410 7.345 1.00 0.00 O ATOM 415 CB ASP A 26 -7.706 6.552 6.097 1.00 0.00 C ATOM 416 CG ASP A 26 -7.679 7.197 4.727 1.00 0.00 C ATOM 417 OD1 ASP A 26 -7.057 6.619 3.812 1.00 0.00 O ATOM 418 OD2 ASP A 26 -8.270 8.285 4.573 1.00 0.00 O ATOM 0 H ASP A 26 -9.777 5.326 5.830 1.00 0.00 H new ATOM 0 HA ASP A 26 -7.171 4.655 5.178 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.587 6.898 6.638 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.835 6.880 6.664 1.00 0.00 H new ATOM 423 N LEU A 27 -7.823 4.233 8.330 1.00 0.00 N ATOM 424 CA LEU A 27 -7.260 3.779 9.594 1.00 0.00 C ATOM 425 C LEU A 27 -6.260 2.641 9.389 1.00 0.00 C ATOM 426 O LEU A 27 -5.085 2.744 9.777 1.00 0.00 O ATOM 427 CB LEU A 27 -8.405 3.335 10.490 1.00 0.00 C ATOM 428 CG LEU A 27 -8.200 3.624 11.973 1.00 0.00 C ATOM 429 CD1 LEU A 27 -9.428 4.300 12.565 1.00 0.00 C ATOM 430 CD2 LEU A 27 -7.873 2.346 12.731 1.00 0.00 C ATOM 0 H LEU A 27 -8.840 4.311 8.320 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.711 4.598 10.060 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.319 3.828 10.160 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.556 2.263 10.360 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.355 4.305 12.072 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.260 4.497 13.624 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.612 5.241 12.046 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.293 3.647 12.450 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.731 2.576 13.787 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.694 1.638 12.621 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.960 1.908 12.329 1.00 0.00 H new ATOM 442 N MET A 28 -6.700 1.587 8.725 1.00 0.00 N ATOM 443 CA MET A 28 -5.817 0.470 8.428 1.00 0.00 C ATOM 444 C MET A 28 -4.809 0.905 7.373 1.00 0.00 C ATOM 445 O MET A 28 -3.703 0.368 7.277 1.00 0.00 O ATOM 446 CB MET A 28 -6.615 -0.740 7.937 1.00 0.00 C ATOM 447 CG MET A 28 -7.296 -0.522 6.596 1.00 0.00 C ATOM 448 SD MET A 28 -8.741 -1.576 6.371 1.00 0.00 S ATOM 449 CE MET A 28 -9.887 -0.831 7.527 1.00 0.00 C ATOM 0 H MET A 28 -7.655 1.480 8.383 1.00 0.00 H new ATOM 0 HA MET A 28 -5.293 0.175 9.337 1.00 0.00 H new ATOM 0 HB2 MET A 28 -5.946 -1.597 7.859 1.00 0.00 H new ATOM 0 HB3 MET A 28 -7.371 -0.991 8.681 1.00 0.00 H new ATOM 0 HG2 MET A 28 -7.596 0.522 6.511 1.00 0.00 H new ATOM 0 HG3 MET A 28 -6.582 -0.715 5.795 1.00 0.00 H new ATOM 0 HE1 MET A 28 -10.908 -1.089 7.245 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.683 -1.202 8.531 1.00 0.00 H new ATOM 0 HE3 MET A 28 -9.769 0.252 7.510 1.00 0.00 H new ATOM 459 N ARG A 29 -5.209 1.901 6.589 1.00 0.00 N ATOM 460 CA ARG A 29 -4.368 2.442 5.543 1.00 0.00 C ATOM 461 C ARG A 29 -3.262 3.309 6.130 1.00 0.00 C ATOM 462 O ARG A 29 -2.174 3.402 5.573 1.00 0.00 O ATOM 463 CB ARG A 29 -5.198 3.277 4.593 1.00 0.00 C ATOM 464 CG ARG A 29 -5.901 2.482 3.495 1.00 0.00 C ATOM 465 CD ARG A 29 -7.237 3.101 3.105 1.00 0.00 C ATOM 466 NE ARG A 29 -7.692 2.608 1.804 1.00 0.00 N ATOM 467 CZ ARG A 29 -8.569 1.616 1.641 1.00 0.00 C ATOM 468 NH1 ARG A 29 -9.199 1.094 2.688 1.00 0.00 N ATOM 469 NH2 ARG A 29 -8.816 1.142 0.426 1.00 0.00 N ATOM 0 H ARG A 29 -6.122 2.350 6.665 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.917 1.607 5.006 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.949 3.819 5.168 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.553 4.022 4.127 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.257 2.429 2.617 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.061 1.459 3.835 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.983 2.870 3.865 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.142 4.186 3.072 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.314 3.052 0.967 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.014 1.452 3.625 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.868 0.336 2.555 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.335 1.536 -0.383 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.486 0.384 0.301 1.00 0.00 H new ATOM 483 N ARG A 30 -3.540 3.943 7.267 1.00 0.00 N ATOM 484 CA ARG A 30 -2.547 4.787 7.914 1.00 0.00 C ATOM 485 C ARG A 30 -1.263 3.993 8.057 1.00 0.00 C ATOM 486 O ARG A 30 -0.159 4.529 7.951 1.00 0.00 O ATOM 487 CB ARG A 30 -3.037 5.246 9.288 1.00 0.00 C ATOM 488 CG ARG A 30 -4.430 5.844 9.259 1.00 0.00 C ATOM 489 CD ARG A 30 -4.584 6.953 10.288 1.00 0.00 C ATOM 490 NE ARG A 30 -5.903 7.580 10.222 1.00 0.00 N ATOM 491 CZ ARG A 30 -6.435 8.294 11.211 1.00 0.00 C ATOM 492 NH1 ARG A 30 -5.768 8.473 12.344 1.00 0.00 N ATOM 493 NH2 ARG A 30 -7.640 8.828 11.067 1.00 0.00 N ATOM 0 H ARG A 30 -4.435 3.888 7.752 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.374 5.676 7.308 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.028 4.397 9.972 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.341 5.984 9.687 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.637 6.239 8.264 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.166 5.063 9.452 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.425 6.546 11.287 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.815 7.708 10.126 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.448 7.463 9.368 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.842 8.062 12.461 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.182 9.021 13.098 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.158 8.691 10.199 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.049 9.375 11.824 1.00 0.00 H new ATOM 507 N ARG A 31 -1.433 2.691 8.269 1.00 0.00 N ATOM 508 CA ARG A 31 -0.302 1.782 8.394 1.00 0.00 C ATOM 509 C ARG A 31 0.387 1.574 7.041 1.00 0.00 C ATOM 510 O ARG A 31 1.619 1.446 6.970 1.00 0.00 O ATOM 511 CB ARG A 31 -0.759 0.429 8.950 1.00 0.00 C ATOM 512 CG ARG A 31 -1.856 0.528 10.001 1.00 0.00 C ATOM 513 CD ARG A 31 -1.440 -0.131 11.306 1.00 0.00 C ATOM 514 NE ARG A 31 -1.218 -1.565 11.147 1.00 0.00 N ATOM 515 CZ ARG A 31 -2.194 -2.451 10.964 1.00 0.00 C ATOM 516 NH1 ARG A 31 -3.460 -2.054 10.915 1.00 0.00 N ATOM 517 NH2 ARG A 31 -1.906 -3.738 10.828 1.00 0.00 N ATOM 0 H ARG A 31 -2.345 2.243 8.358 1.00 0.00 H new ATOM 0 HA ARG A 31 0.411 2.232 9.085 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.115 -0.189 8.126 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.100 -0.082 9.384 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.094 1.576 10.182 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.764 0.055 9.627 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.528 0.338 11.675 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.211 0.035 12.058 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.258 -1.908 11.178 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.689 -1.065 11.018 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.204 -2.738 10.774 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.936 -4.050 10.864 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.655 -4.416 10.688 1.00 0.00 H new ATOM 531 N ILE A 32 -0.396 1.577 5.955 1.00 0.00 N ATOM 532 CA ILE A 32 0.179 1.403 4.629 1.00 0.00 C ATOM 533 C ILE A 32 0.740 2.717 4.174 1.00 0.00 C ATOM 534 O ILE A 32 1.753 2.785 3.495 1.00 0.00 O ATOM 535 CB ILE A 32 -0.829 0.808 3.624 1.00 0.00 C ATOM 536 CG1 ILE A 32 -0.620 1.360 2.242 1.00 0.00 C ATOM 537 CG2 ILE A 32 -2.243 1.008 4.055 1.00 0.00 C ATOM 538 CD1 ILE A 32 0.737 1.068 1.714 1.00 0.00 C ATOM 0 H ILE A 32 -1.409 1.696 5.973 1.00 0.00 H new ATOM 0 HA ILE A 32 0.986 0.672 4.682 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.641 -0.265 3.599 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.367 0.939 1.569 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.776 2.439 2.257 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.914 0.572 3.315 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.402 0.524 5.019 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.448 2.075 4.147 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.836 1.488 0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.486 1.512 2.370 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.886 -0.011 1.671 1.00 0.00 H new ATOM 550 N TYR A 33 0.087 3.764 4.577 1.00 0.00 N ATOM 551 CA TYR A 33 0.542 5.079 4.245 1.00 0.00 C ATOM 552 C TYR A 33 1.911 5.356 4.861 1.00 0.00 C ATOM 553 O TYR A 33 2.710 6.119 4.312 1.00 0.00 O ATOM 554 CB TYR A 33 -0.446 6.151 4.690 1.00 0.00 C ATOM 555 CG TYR A 33 -0.405 7.378 3.811 1.00 0.00 C ATOM 556 CD1 TYR A 33 0.484 7.457 2.743 1.00 0.00 C ATOM 557 CD2 TYR A 33 -1.255 8.446 4.037 1.00 0.00 C ATOM 558 CE1 TYR A 33 0.517 8.565 1.927 1.00 0.00 C ATOM 559 CE2 TYR A 33 -1.226 9.560 3.224 1.00 0.00 C ATOM 560 CZ TYR A 33 -0.343 9.615 2.167 1.00 0.00 C ATOM 561 OH TYR A 33 -0.313 10.725 1.355 1.00 0.00 O ATOM 0 H TYR A 33 -0.765 3.733 5.138 1.00 0.00 H new ATOM 0 HA TYR A 33 0.623 5.119 3.159 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.454 5.737 4.683 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.227 6.438 5.719 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.159 6.636 2.551 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.951 8.407 4.862 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.213 8.611 1.103 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.894 10.387 3.415 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.934 10.600 0.607 1.00 0.00 H new ATOM 571 N ALA A 34 2.173 4.740 6.013 1.00 0.00 N ATOM 572 CA ALA A 34 3.438 4.938 6.709 1.00 0.00 C ATOM 573 C ALA A 34 4.628 4.616 5.825 1.00 0.00 C ATOM 574 O ALA A 34 5.558 5.414 5.693 1.00 0.00 O ATOM 575 CB ALA A 34 3.478 4.110 7.984 1.00 0.00 C ATOM 0 H ALA A 34 1.528 4.103 6.480 1.00 0.00 H new ATOM 0 HA ALA A 34 3.506 5.994 6.972 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.429 4.269 8.492 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.662 4.412 8.640 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.372 3.054 7.736 1.00 0.00 H new ATOM 581 N GLU A 35 4.583 3.457 5.211 1.00 0.00 N ATOM 582 CA GLU A 35 5.652 3.028 4.313 1.00 0.00 C ATOM 583 C GLU A 35 5.829 4.002 3.152 1.00 0.00 C ATOM 584 O GLU A 35 6.925 4.143 2.616 1.00 0.00 O ATOM 585 CB GLU A 35 5.335 1.658 3.753 1.00 0.00 C ATOM 586 CG GLU A 35 3.888 1.538 3.342 1.00 0.00 C ATOM 587 CD GLU A 35 3.209 0.367 4.022 1.00 0.00 C ATOM 588 OE1 GLU A 35 3.048 0.414 5.260 1.00 0.00 O ATOM 589 OE2 GLU A 35 2.852 -0.604 3.322 1.00 0.00 O ATOM 0 H GLU A 35 3.820 2.787 5.311 1.00 0.00 H new ATOM 0 HA GLU A 35 6.576 2.998 4.891 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.974 1.461 2.892 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.564 0.899 4.501 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.361 2.459 3.591 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.825 1.417 2.261 1.00 0.00 H new ATOM 596 N SER A 36 4.735 4.644 2.740 1.00 0.00 N ATOM 597 CA SER A 36 4.774 5.562 1.603 1.00 0.00 C ATOM 598 C SER A 36 5.923 6.552 1.735 1.00 0.00 C ATOM 599 O SER A 36 6.759 6.647 0.843 1.00 0.00 O ATOM 600 CB SER A 36 3.444 6.309 1.476 1.00 0.00 C ATOM 601 OG SER A 36 3.527 7.614 2.025 1.00 0.00 O ATOM 0 H SER A 36 3.817 4.546 3.174 1.00 0.00 H new ATOM 0 HA SER A 36 4.937 4.973 0.701 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.160 6.372 0.426 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.660 5.748 1.985 1.00 0.00 H new ATOM 0 HG SER A 36 2.624 7.956 2.193 1.00 0.00 H new ATOM 607 N LYS A 37 5.989 7.266 2.849 1.00 0.00 N ATOM 608 CA LYS A 37 7.086 8.207 3.056 1.00 0.00 C ATOM 609 C LYS A 37 8.409 7.471 2.941 1.00 0.00 C ATOM 610 O LYS A 37 9.342 7.949 2.299 1.00 0.00 O ATOM 611 CB LYS A 37 6.973 8.861 4.414 1.00 0.00 C ATOM 612 CG LYS A 37 6.198 10.174 4.413 1.00 0.00 C ATOM 613 CD LYS A 37 4.928 10.088 3.576 1.00 0.00 C ATOM 614 CE LYS A 37 4.511 11.454 3.055 1.00 0.00 C ATOM 615 NZ LYS A 37 3.191 11.406 2.365 1.00 0.00 N ATOM 0 H LYS A 37 5.312 7.216 3.611 1.00 0.00 H new ATOM 0 HA LYS A 37 7.035 8.986 2.295 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.488 8.166 5.100 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.975 9.044 4.801 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.939 10.443 5.437 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.834 10.970 4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.089 9.411 2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.123 9.665 4.177 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.462 12.159 3.885 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.268 11.826 2.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.043 12.290 1.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.173 10.602 1.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.435 11.292 3.070 1.00 0.00 H new ATOM 629 N ALA A 38 8.466 6.272 3.525 1.00 0.00 N ATOM 630 CA ALA A 38 9.664 5.447 3.428 1.00 0.00 C ATOM 631 C ALA A 38 10.023 5.324 1.965 1.00 0.00 C ATOM 632 O ALA A 38 11.182 5.441 1.562 1.00 0.00 O ATOM 633 CB ALA A 38 9.429 4.076 4.048 1.00 0.00 C ATOM 0 H ALA A 38 7.705 5.858 4.063 1.00 0.00 H new ATOM 0 HA ALA A 38 10.485 5.909 3.977 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.337 3.478 3.964 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.167 4.192 5.100 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.615 3.575 3.525 1.00 0.00 H new ATOM 639 N ARG A 39 8.980 5.134 1.183 1.00 0.00 N ATOM 640 CA ARG A 39 9.071 5.039 -0.254 1.00 0.00 C ATOM 641 C ARG A 39 9.367 6.408 -0.835 1.00 0.00 C ATOM 642 O ARG A 39 10.040 6.539 -1.842 1.00 0.00 O ATOM 643 CB ARG A 39 7.767 4.503 -0.797 1.00 0.00 C ATOM 644 CG ARG A 39 7.223 3.354 0.036 1.00 0.00 C ATOM 645 CD ARG A 39 7.298 2.030 -0.709 1.00 0.00 C ATOM 646 NE ARG A 39 6.049 1.277 -0.614 1.00 0.00 N ATOM 647 CZ ARG A 39 5.761 0.219 -1.369 1.00 0.00 C ATOM 648 NH1 ARG A 39 6.630 -0.217 -2.273 1.00 0.00 N ATOM 649 NH2 ARG A 39 4.601 -0.406 -1.219 1.00 0.00 N ATOM 0 H ARG A 39 8.029 5.040 1.538 1.00 0.00 H new ATOM 0 HA ARG A 39 9.878 4.361 -0.534 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.031 5.307 -0.828 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.914 4.167 -1.823 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.787 3.280 0.966 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.188 3.560 0.307 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.530 2.217 -1.758 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.114 1.432 -0.304 1.00 0.00 H new ATOM 0 HE ARG A 39 5.357 1.580 0.071 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.524 0.259 -2.392 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.404 -1.028 -2.848 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.930 -0.076 -0.525 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.380 -1.217 -1.797 1.00 0.00 H new ATOM 663 N ILE A 40 8.855 7.444 -0.190 1.00 0.00 N ATOM 664 CA ILE A 40 9.097 8.795 -0.657 1.00 0.00 C ATOM 665 C ILE A 40 10.571 9.104 -0.488 1.00 0.00 C ATOM 666 O ILE A 40 11.196 9.772 -1.309 1.00 0.00 O ATOM 667 CB ILE A 40 8.173 9.781 0.064 1.00 0.00 C ATOM 668 CG1 ILE A 40 6.717 9.452 -0.316 1.00 0.00 C ATOM 669 CG2 ILE A 40 8.515 11.224 -0.283 1.00 0.00 C ATOM 670 CD1 ILE A 40 6.562 8.435 -1.451 1.00 0.00 C ATOM 0 H ILE A 40 8.277 7.375 0.647 1.00 0.00 H new ATOM 0 HA ILE A 40 8.860 8.894 -1.716 1.00 0.00 H new ATOM 0 HB ILE A 40 8.307 9.678 1.141 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.203 9.071 0.567 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.214 10.375 -0.604 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.839 11.896 0.247 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.542 11.436 0.013 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.408 11.375 -1.357 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.503 8.267 -1.647 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.042 8.819 -2.351 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.031 7.494 -1.163 1.00 0.00 H new ATOM 682 N GLU A 41 11.123 8.514 0.550 1.00 0.00 N ATOM 683 CA GLU A 41 12.546 8.594 0.836 1.00 0.00 C ATOM 684 C GLU A 41 13.299 7.789 -0.228 1.00 0.00 C ATOM 685 O GLU A 41 14.491 7.982 -0.463 1.00 0.00 O ATOM 686 CB GLU A 41 12.847 8.047 2.233 1.00 0.00 C ATOM 687 CG GLU A 41 12.928 9.123 3.303 1.00 0.00 C ATOM 688 CD GLU A 41 11.597 9.809 3.541 1.00 0.00 C ATOM 689 OE1 GLU A 41 11.223 10.676 2.723 1.00 0.00 O ATOM 690 OE2 GLU A 41 10.929 9.481 4.543 1.00 0.00 O ATOM 0 H GLU A 41 10.597 7.961 1.226 1.00 0.00 H new ATOM 0 HA GLU A 41 12.869 9.635 0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.073 7.330 2.508 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.791 7.502 2.205 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.275 8.678 4.235 1.00 0.00 H new ATOM 0 HG3 GLU A 41 13.669 9.867 3.010 1.00 0.00 H new ATOM 697 N GLU A 42 12.571 6.831 -0.803 1.00 0.00 N ATOM 698 CA GLU A 42 13.085 5.877 -1.788 1.00 0.00 C ATOM 699 C GLU A 42 13.795 6.509 -2.989 1.00 0.00 C ATOM 700 O GLU A 42 14.996 6.316 -3.185 1.00 0.00 O ATOM 701 CB GLU A 42 11.841 5.179 -2.360 1.00 0.00 C ATOM 702 CG GLU A 42 12.107 4.201 -3.487 1.00 0.00 C ATOM 703 CD GLU A 42 11.511 2.831 -3.230 1.00 0.00 C ATOM 704 OE1 GLU A 42 10.507 2.750 -2.491 1.00 0.00 O ATOM 705 OE2 GLU A 42 12.047 1.839 -3.767 1.00 0.00 O ATOM 0 H GLU A 42 11.583 6.693 -0.592 1.00 0.00 H new ATOM 0 HA GLU A 42 13.812 5.241 -1.283 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.339 4.648 -1.551 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.150 5.942 -2.718 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.697 4.602 -4.414 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.183 4.103 -3.630 1.00 0.00 H new ATOM 712 N HIS A 43 13.049 7.237 -3.795 1.00 0.00 N ATOM 713 CA HIS A 43 13.597 7.855 -4.991 1.00 0.00 C ATOM 714 C HIS A 43 14.304 9.159 -4.691 1.00 0.00 C ATOM 715 O HIS A 43 15.231 9.555 -5.397 1.00 0.00 O ATOM 716 CB HIS A 43 12.479 8.092 -5.989 1.00 0.00 C ATOM 717 CG HIS A 43 12.010 6.845 -6.674 1.00 0.00 C ATOM 718 ND1 HIS A 43 10.928 6.062 -6.447 1.00 0.00 N flip ATOM 719 CD2 HIS A 43 12.683 6.268 -7.730 1.00 0.00 C flip ATOM 720 CE1 HIS A 43 10.968 5.039 -7.361 1.00 0.00 C flip ATOM 721 NE2 HIS A 43 12.035 5.186 -8.124 1.00 0.00 N flip ATOM 0 H HIS A 43 12.056 7.417 -3.645 1.00 0.00 H new ATOM 0 HA HIS A 43 14.339 7.175 -5.408 1.00 0.00 H new ATOM 0 HB2 HIS A 43 11.636 8.552 -5.474 1.00 0.00 H new ATOM 0 HB3 HIS A 43 12.820 8.803 -6.741 1.00 0.00 H new ATOM 0 HD2 HIS A 43 13.597 6.642 -8.167 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.243 4.242 -7.443 1.00 0.00 H new ATOM 0 HE2 HIS A 43 12.312 4.569 -8.888 1.00 0.00 H new ATOM 730 N ASN A 44 13.838 9.838 -3.663 1.00 0.00 N ATOM 731 CA ASN A 44 14.401 11.116 -3.295 1.00 0.00 C ATOM 732 C ASN A 44 15.839 10.982 -2.836 1.00 0.00 C ATOM 733 O ASN A 44 16.629 11.905 -3.010 1.00 0.00 O ATOM 734 CB ASN A 44 13.537 11.776 -2.235 1.00 0.00 C ATOM 735 CG ASN A 44 12.725 12.904 -2.828 1.00 0.00 C ATOM 736 OD1 ASN A 44 11.666 12.676 -3.419 1.00 0.00 O ATOM 737 ND2 ASN A 44 13.241 14.120 -2.708 1.00 0.00 N ATOM 0 H ASN A 44 13.071 9.524 -3.069 1.00 0.00 H new ATOM 0 HA ASN A 44 14.413 11.754 -4.179 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.870 11.037 -1.791 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.168 12.159 -1.433 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.758 14.921 -3.115 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.120 14.254 -2.209 1.00 0.00 H new ATOM 744 N ARG A 45 16.169 9.829 -2.266 1.00 0.00 N ATOM 745 CA ARG A 45 17.526 9.557 -1.803 1.00 0.00 C ATOM 746 C ARG A 45 18.376 8.951 -2.928 1.00 0.00 C ATOM 747 O ARG A 45 19.602 8.886 -2.838 1.00 0.00 O ATOM 748 CB ARG A 45 17.481 8.600 -0.614 1.00 0.00 C ATOM 749 CG ARG A 45 17.313 9.301 0.725 1.00 0.00 C ATOM 750 CD ARG A 45 18.543 10.119 1.083 1.00 0.00 C ATOM 751 NE ARG A 45 19.753 9.302 1.123 1.00 0.00 N ATOM 752 CZ ARG A 45 20.034 8.441 2.098 1.00 0.00 C ATOM 753 NH1 ARG A 45 19.196 8.285 3.117 1.00 0.00 N ATOM 754 NH2 ARG A 45 21.155 7.735 2.058 1.00 0.00 N ATOM 0 H ARG A 45 15.512 9.064 -2.113 1.00 0.00 H new ATOM 0 HA ARG A 45 17.983 10.498 -1.497 1.00 0.00 H new ATOM 0 HB2 ARG A 45 16.658 7.899 -0.753 1.00 0.00 H new ATOM 0 HB3 ARG A 45 18.400 8.014 -0.595 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.439 9.952 0.689 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.127 8.561 1.504 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.670 10.919 0.354 1.00 0.00 H new ATOM 0 HD3 ARG A 45 18.393 10.592 2.053 1.00 0.00 H new ATOM 0 HE ARG A 45 20.422 9.397 0.359 1.00 0.00 H new ATOM 0 HH11 ARG A 45 18.332 8.827 3.155 1.00 0.00 H new ATOM 0 HH12 ARG A 45 19.416 7.624 3.862 1.00 0.00 H new ATOM 0 HH21 ARG A 45 21.803 7.851 1.279 1.00 0.00 H new ATOM 0 HH22 ARG A 45 21.369 7.075 2.806 1.00 0.00 H new ATOM 768 N LYS A 46 17.690 8.466 -3.957 1.00 0.00 N ATOM 769 CA LYS A 46 18.319 7.798 -5.102 1.00 0.00 C ATOM 770 C LYS A 46 19.147 8.730 -6.006 1.00 0.00 C ATOM 771 O LYS A 46 20.362 8.555 -6.137 1.00 0.00 O ATOM 772 CB LYS A 46 17.189 7.187 -5.899 1.00 0.00 C ATOM 773 CG LYS A 46 17.237 5.670 -5.988 1.00 0.00 C ATOM 774 CD LYS A 46 15.933 5.102 -6.528 1.00 0.00 C ATOM 775 CE LYS A 46 15.171 4.334 -5.459 1.00 0.00 C ATOM 776 NZ LYS A 46 15.280 2.862 -5.648 1.00 0.00 N ATOM 0 H LYS A 46 16.674 8.523 -4.025 1.00 0.00 H new ATOM 0 HA LYS A 46 19.033 7.064 -4.729 1.00 0.00 H new ATOM 0 HB2 LYS A 46 16.241 7.483 -5.450 1.00 0.00 H new ATOM 0 HB3 LYS A 46 17.207 7.600 -6.908 1.00 0.00 H new ATOM 0 HG2 LYS A 46 18.062 5.368 -6.634 1.00 0.00 H new ATOM 0 HG3 LYS A 46 17.436 5.253 -5.001 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.311 5.913 -6.907 1.00 0.00 H new ATOM 0 HD3 LYS A 46 16.144 4.443 -7.370 1.00 0.00 H new ATOM 0 HE2 LYS A 46 15.556 4.603 -4.475 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.121 4.626 -5.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.747 2.375 -4.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.890 2.601 -6.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 16.280 2.579 -5.601 1.00 0.00 H new ATOM 790 N PHE A 47 18.519 9.765 -6.565 1.00 0.00 N ATOM 791 CA PHE A 47 19.249 10.738 -7.373 1.00 0.00 C ATOM 792 C PHE A 47 20.138 11.432 -6.416 1.00 0.00 C ATOM 793 O PHE A 47 21.282 11.779 -6.694 1.00 0.00 O ATOM 794 CB PHE A 47 18.347 11.749 -8.061 1.00 0.00 C ATOM 795 CG PHE A 47 17.460 12.521 -7.140 1.00 0.00 C ATOM 796 CD1 PHE A 47 17.872 13.721 -6.586 1.00 0.00 C ATOM 797 CD2 PHE A 47 16.202 12.051 -6.855 1.00 0.00 C ATOM 798 CE1 PHE A 47 17.031 14.438 -5.756 1.00 0.00 C ATOM 799 CE2 PHE A 47 15.354 12.756 -6.027 1.00 0.00 C ATOM 800 CZ PHE A 47 15.767 13.954 -5.477 1.00 0.00 C ATOM 0 H PHE A 47 17.520 9.949 -6.474 1.00 0.00 H new ATOM 0 HA PHE A 47 19.780 10.233 -8.180 1.00 0.00 H new ATOM 0 HB2 PHE A 47 18.968 12.450 -8.618 1.00 0.00 H new ATOM 0 HB3 PHE A 47 17.726 11.226 -8.788 1.00 0.00 H new ATOM 0 HD1 PHE A 47 18.859 14.100 -6.804 1.00 0.00 H new ATOM 0 HD2 PHE A 47 15.872 11.117 -7.285 1.00 0.00 H new ATOM 0 HE1 PHE A 47 17.360 15.373 -5.327 1.00 0.00 H new ATOM 0 HE2 PHE A 47 14.368 12.372 -5.809 1.00 0.00 H new ATOM 0 HZ PHE A 47 15.104 14.511 -4.831 1.00 0.00 H new ATOM 810 N GLU A 48 19.579 11.540 -5.232 1.00 0.00 N ATOM 811 CA GLU A 48 20.249 12.079 -4.104 1.00 0.00 C ATOM 812 C GLU A 48 21.597 11.364 -3.954 1.00 0.00 C ATOM 813 O GLU A 48 22.491 11.817 -3.240 1.00 0.00 O ATOM 814 CB GLU A 48 19.352 11.830 -2.901 1.00 0.00 C ATOM 815 CG GLU A 48 18.886 13.103 -2.212 1.00 0.00 C ATOM 816 CD GLU A 48 19.976 13.747 -1.378 1.00 0.00 C ATOM 817 OE1 GLU A 48 21.165 13.563 -1.711 1.00 0.00 O ATOM 818 OE2 GLU A 48 19.640 14.438 -0.393 1.00 0.00 O ATOM 0 H GLU A 48 18.622 11.244 -5.038 1.00 0.00 H new ATOM 0 HA GLU A 48 20.442 13.147 -4.203 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.480 11.260 -3.221 1.00 0.00 H new ATOM 0 HB3 GLU A 48 19.889 11.213 -2.180 1.00 0.00 H new ATOM 0 HG2 GLU A 48 18.541 13.813 -2.964 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.032 12.875 -1.574 1.00 0.00 H new ATOM 825 N LYS A 49 21.714 10.230 -4.667 1.00 0.00 N ATOM 826 CA LYS A 49 22.914 9.416 -4.671 1.00 0.00 C ATOM 827 C LYS A 49 23.737 9.665 -5.926 1.00 0.00 C ATOM 828 O LYS A 49 24.571 8.838 -6.294 1.00 0.00 O ATOM 829 CB LYS A 49 22.541 7.933 -4.584 1.00 0.00 C ATOM 830 CG LYS A 49 23.413 7.140 -3.625 1.00 0.00 C ATOM 831 CD LYS A 49 23.458 5.666 -3.997 1.00 0.00 C ATOM 832 CE LYS A 49 22.750 4.806 -2.962 1.00 0.00 C ATOM 833 NZ LYS A 49 23.665 4.394 -1.863 1.00 0.00 N ATOM 0 H LYS A 49 20.967 9.862 -5.256 1.00 0.00 H new ATOM 0 HA LYS A 49 23.514 9.691 -3.804 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.500 7.847 -4.271 1.00 0.00 H new ATOM 0 HB3 LYS A 49 22.613 7.490 -5.577 1.00 0.00 H new ATOM 0 HG2 LYS A 49 24.424 7.548 -3.630 1.00 0.00 H new ATOM 0 HG3 LYS A 49 23.030 7.248 -2.610 1.00 0.00 H new ATOM 0 HD2 LYS A 49 22.992 5.522 -4.972 1.00 0.00 H new ATOM 0 HD3 LYS A 49 24.496 5.345 -4.090 1.00 0.00 H new ATOM 0 HE2 LYS A 49 21.908 5.359 -2.545 1.00 0.00 H new ATOM 0 HE3 LYS A 49 22.341 3.919 -3.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 23.144 3.809 -1.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 24.455 3.845 -2.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 24.036 5.240 -1.385 1.00 0.00 H new ATOM 847 N GLY A 50 23.480 10.786 -6.611 1.00 0.00 N ATOM 848 CA GLY A 50 24.201 11.061 -7.848 1.00 0.00 C ATOM 849 C GLY A 50 24.115 9.847 -8.739 1.00 0.00 C ATOM 850 O GLY A 50 25.043 9.504 -9.471 1.00 0.00 O ATOM 0 H GLY A 50 22.799 11.494 -6.337 1.00 0.00 H new ATOM 0 HA2 GLY A 50 23.773 11.929 -8.350 1.00 0.00 H new ATOM 0 HA3 GLY A 50 25.243 11.299 -7.633 1.00 0.00 H new ATOM 854 N GLU A 51 22.985 9.172 -8.591 1.00 0.00 N ATOM 855 CA GLU A 51 22.691 7.938 -9.275 1.00 0.00 C ATOM 856 C GLU A 51 21.959 8.164 -10.603 1.00 0.00 C ATOM 857 O GLU A 51 22.453 7.805 -11.672 1.00 0.00 O ATOM 858 CB GLU A 51 21.834 7.103 -8.315 1.00 0.00 C ATOM 859 CG GLU A 51 22.445 5.756 -7.968 1.00 0.00 C ATOM 860 CD GLU A 51 21.798 4.612 -8.724 1.00 0.00 C ATOM 861 OE1 GLU A 51 21.780 4.658 -9.971 1.00 0.00 O ATOM 862 OE2 GLU A 51 21.306 3.669 -8.066 1.00 0.00 O ATOM 0 H GLU A 51 22.233 9.481 -7.975 1.00 0.00 H new ATOM 0 HA GLU A 51 23.618 7.427 -9.536 1.00 0.00 H new ATOM 0 HB2 GLU A 51 21.677 7.668 -7.397 1.00 0.00 H new ATOM 0 HB3 GLU A 51 20.853 6.943 -8.763 1.00 0.00 H new ATOM 0 HG2 GLU A 51 23.512 5.777 -8.190 1.00 0.00 H new ATOM 0 HG3 GLU A 51 22.346 5.581 -6.897 1.00 0.00 H new ATOM 869 N VAL A 52 20.779 8.756 -10.510 1.00 0.00 N ATOM 870 CA VAL A 52 19.932 9.053 -11.646 1.00 0.00 C ATOM 871 C VAL A 52 19.032 10.137 -11.205 1.00 0.00 C ATOM 872 O VAL A 52 19.013 10.450 -10.027 1.00 0.00 O ATOM 873 CB VAL A 52 19.032 7.852 -12.048 1.00 0.00 C ATOM 874 CG1 VAL A 52 19.396 6.625 -11.246 1.00 0.00 C ATOM 875 CG2 VAL A 52 17.541 8.151 -11.867 1.00 0.00 C ATOM 0 H VAL A 52 20.377 9.049 -9.619 1.00 0.00 H new ATOM 0 HA VAL A 52 20.558 9.306 -12.501 1.00 0.00 H new ATOM 0 HB VAL A 52 19.211 7.670 -13.108 1.00 0.00 H new ATOM 0 HG11 VAL A 52 18.755 5.794 -11.541 1.00 0.00 H new ATOM 0 HG12 VAL A 52 20.438 6.364 -11.433 1.00 0.00 H new ATOM 0 HG13 VAL A 52 19.258 6.830 -10.184 1.00 0.00 H new ATOM 0 HG21 VAL A 52 16.957 7.279 -12.162 1.00 0.00 H new ATOM 0 HG22 VAL A 52 17.341 8.385 -10.821 1.00 0.00 H new ATOM 0 HG23 VAL A 52 17.262 9.002 -12.489 1.00 0.00 H new ATOM 885 N THR A 53 18.203 10.639 -12.074 1.00 0.00 N ATOM 886 CA THR A 53 17.255 11.576 -11.587 1.00 0.00 C ATOM 887 C THR A 53 15.879 10.927 -11.613 1.00 0.00 C ATOM 888 O THR A 53 15.162 10.945 -12.613 1.00 0.00 O ATOM 889 CB THR A 53 17.354 12.836 -12.412 1.00 0.00 C ATOM 890 OG1 THR A 53 16.648 13.904 -11.805 1.00 0.00 O ATOM 891 CG2 THR A 53 16.852 12.681 -13.831 1.00 0.00 C ATOM 0 H THR A 53 18.167 10.426 -13.071 1.00 0.00 H new ATOM 0 HA THR A 53 17.449 11.863 -10.554 1.00 0.00 H new ATOM 0 HB THR A 53 18.421 13.055 -12.456 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.730 14.708 -12.360 1.00 0.00 H new ATOM 0 HG21 THR A 53 16.956 13.629 -14.359 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.435 11.915 -14.342 1.00 0.00 H new ATOM 0 HG23 THR A 53 15.802 12.388 -13.816 1.00 0.00 H new ATOM 899 N TRP A 54 15.535 10.374 -10.456 1.00 0.00 N ATOM 900 CA TRP A 54 14.248 9.712 -10.226 1.00 0.00 C ATOM 901 C TRP A 54 13.698 10.053 -8.842 1.00 0.00 C ATOM 902 O TRP A 54 14.375 9.868 -7.834 1.00 0.00 O ATOM 903 CB TRP A 54 14.351 8.184 -10.378 1.00 0.00 C ATOM 904 CG TRP A 54 15.582 7.561 -9.779 1.00 0.00 C ATOM 905 CD1 TRP A 54 16.542 8.168 -9.018 1.00 0.00 C ATOM 906 CD2 TRP A 54 15.979 6.188 -9.897 1.00 0.00 C ATOM 907 NE1 TRP A 54 17.527 7.267 -8.690 1.00 0.00 N ATOM 908 CE2 TRP A 54 17.196 6.040 -9.203 1.00 0.00 C ATOM 909 CE3 TRP A 54 15.424 5.070 -10.526 1.00 0.00 C ATOM 910 CZ2 TRP A 54 17.865 4.822 -9.123 1.00 0.00 C ATOM 911 CZ3 TRP A 54 16.088 3.861 -10.443 1.00 0.00 C ATOM 912 CH2 TRP A 54 17.297 3.745 -9.746 1.00 0.00 C ATOM 0 H TRP A 54 16.146 10.370 -9.639 1.00 0.00 H new ATOM 0 HA TRP A 54 13.563 10.084 -10.987 1.00 0.00 H new ATOM 0 HB2 TRP A 54 13.473 7.730 -9.918 1.00 0.00 H new ATOM 0 HB3 TRP A 54 14.319 7.938 -11.439 1.00 0.00 H new ATOM 0 HD1 TRP A 54 16.528 9.205 -8.718 1.00 0.00 H new ATOM 0 HE1 TRP A 54 18.368 7.477 -8.152 1.00 0.00 H new ATOM 0 HE3 TRP A 54 14.493 5.150 -11.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 18.799 4.731 -8.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 15.667 2.990 -10.924 1.00 0.00 H new ATOM 0 HH2 TRP A 54 17.791 2.786 -9.699 1.00 0.00 H new ATOM 923 N LYS A 55 12.464 10.542 -8.800 1.00 0.00 N ATOM 924 CA LYS A 55 11.815 10.904 -7.537 1.00 0.00 C ATOM 925 C LYS A 55 10.658 10.002 -7.217 1.00 0.00 C ATOM 926 O LYS A 55 10.057 9.367 -8.084 1.00 0.00 O ATOM 927 CB LYS A 55 11.309 12.336 -7.474 1.00 0.00 C ATOM 928 CG LYS A 55 11.285 13.020 -8.818 1.00 0.00 C ATOM 929 CD LYS A 55 11.239 14.533 -8.679 1.00 0.00 C ATOM 930 CE LYS A 55 12.624 15.114 -8.449 1.00 0.00 C ATOM 931 NZ LYS A 55 12.737 16.506 -8.967 1.00 0.00 N ATOM 0 H LYS A 55 11.888 10.699 -9.627 1.00 0.00 H new ATOM 0 HA LYS A 55 12.613 10.790 -6.803 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.303 12.340 -7.054 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.941 12.908 -6.794 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.169 12.734 -9.388 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.417 12.680 -9.384 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.805 14.969 -9.579 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.587 14.803 -7.848 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.849 15.104 -7.382 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.367 14.484 -8.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.697 16.865 -8.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.548 16.512 -9.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.045 17.114 -8.483 1.00 0.00 H new ATOM 945 N MET A 56 10.362 9.978 -5.943 1.00 0.00 N ATOM 946 CA MET A 56 9.270 9.182 -5.412 1.00 0.00 C ATOM 947 C MET A 56 7.953 9.670 -6.020 1.00 0.00 C ATOM 948 O MET A 56 7.944 10.660 -6.753 1.00 0.00 O ATOM 949 CB MET A 56 9.182 9.380 -3.905 1.00 0.00 C ATOM 950 CG MET A 56 9.772 10.688 -3.408 1.00 0.00 C ATOM 951 SD MET A 56 9.048 12.120 -4.233 1.00 0.00 S ATOM 952 CE MET A 56 7.319 11.915 -3.811 1.00 0.00 C ATOM 0 H MET A 56 10.870 10.510 -5.236 1.00 0.00 H new ATOM 0 HA MET A 56 9.445 8.133 -5.651 1.00 0.00 H new ATOM 0 HB2 MET A 56 8.135 9.331 -3.605 1.00 0.00 H new ATOM 0 HB3 MET A 56 9.694 8.554 -3.412 1.00 0.00 H new ATOM 0 HG2 MET A 56 9.612 10.771 -2.333 1.00 0.00 H new ATOM 0 HG3 MET A 56 10.850 10.684 -3.571 1.00 0.00 H new ATOM 0 HE1 MET A 56 6.741 11.743 -4.719 1.00 0.00 H new ATOM 0 HE2 MET A 56 7.206 11.062 -3.142 1.00 0.00 H new ATOM 0 HE3 MET A 56 6.956 12.815 -3.315 1.00 0.00 H new ATOM 962 N GLY A 57 6.842 9.002 -5.712 1.00 0.00 N ATOM 963 CA GLY A 57 5.574 9.435 -6.245 1.00 0.00 C ATOM 964 C GLY A 57 4.403 8.980 -5.405 1.00 0.00 C ATOM 965 O GLY A 57 3.252 9.180 -5.792 1.00 0.00 O ATOM 0 H GLY A 57 6.804 8.180 -5.110 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.566 10.523 -6.314 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.460 9.051 -7.259 1.00 0.00 H new ATOM 969 N ILE A 58 4.681 8.370 -4.245 1.00 0.00 N ATOM 970 CA ILE A 58 3.618 7.909 -3.377 1.00 0.00 C ATOM 971 C ILE A 58 2.755 6.956 -4.147 1.00 0.00 C ATOM 972 O ILE A 58 1.866 7.379 -4.888 1.00 0.00 O ATOM 973 CB ILE A 58 2.756 9.083 -2.938 1.00 0.00 C ATOM 974 CG1 ILE A 58 3.578 10.088 -2.121 1.00 0.00 C ATOM 975 CG2 ILE A 58 1.528 8.610 -2.165 1.00 0.00 C ATOM 976 CD1 ILE A 58 3.646 9.772 -0.639 1.00 0.00 C ATOM 0 H ILE A 58 5.624 8.191 -3.899 1.00 0.00 H new ATOM 0 HA ILE A 58 4.052 7.427 -2.501 1.00 0.00 H new ATOM 0 HB ILE A 58 2.400 9.592 -3.834 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.591 10.123 -2.521 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.150 11.082 -2.250 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.932 9.472 -1.865 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.928 7.957 -2.799 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.845 8.062 -1.278 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.245 10.529 -0.133 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.639 9.767 -0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.103 8.793 -0.496 1.00 0.00 H new ATOM 988 N ASN A 59 3.036 5.686 -4.034 1.00 0.00 N ATOM 989 CA ASN A 59 2.282 4.743 -4.799 1.00 0.00 C ATOM 990 C ASN A 59 0.817 4.701 -4.364 1.00 0.00 C ATOM 991 O ASN A 59 0.482 5.050 -3.232 1.00 0.00 O ATOM 992 CB ASN A 59 2.909 3.350 -4.740 1.00 0.00 C ATOM 993 CG ASN A 59 4.195 3.260 -5.539 1.00 0.00 C ATOM 994 OD1 ASN A 59 5.269 3.607 -5.048 1.00 0.00 O ATOM 995 ND2 ASN A 59 4.090 2.794 -6.778 1.00 0.00 N ATOM 0 H ASN A 59 3.762 5.292 -3.436 1.00 0.00 H new ATOM 0 HA ASN A 59 2.307 5.080 -5.835 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.111 3.089 -3.701 1.00 0.00 H new ATOM 0 HB3 ASN A 59 2.197 2.618 -5.120 1.00 0.00 H new ATOM 0 HD21 ASN A 59 4.921 2.712 -7.364 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.179 2.518 -7.144 1.00 0.00 H new ATOM 1002 N HIS A 60 -0.050 4.274 -5.281 1.00 0.00 N ATOM 1003 CA HIS A 60 -1.486 4.185 -5.016 1.00 0.00 C ATOM 1004 C HIS A 60 -1.769 3.384 -3.746 1.00 0.00 C ATOM 1005 O HIS A 60 -2.408 3.869 -2.798 1.00 0.00 O ATOM 1006 CB HIS A 60 -2.196 3.533 -6.206 1.00 0.00 C ATOM 1007 CG HIS A 60 -3.078 4.469 -6.973 1.00 0.00 C ATOM 1008 ND1 HIS A 60 -3.833 5.515 -6.563 1.00 0.00 N flip ATOM 1009 CD2 HIS A 60 -3.266 4.376 -8.336 1.00 0.00 C flip ATOM 1010 CE1 HIS A 60 -4.457 6.028 -7.674 1.00 0.00 C flip ATOM 1011 NE2 HIS A 60 -4.097 5.323 -8.731 1.00 0.00 N flip ATOM 0 H HIS A 60 0.219 3.982 -6.221 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.865 5.197 -4.871 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.447 3.120 -6.881 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.796 2.697 -5.845 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -2.805 3.642 -8.981 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -5.132 6.871 -7.682 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.408 5.483 -9.689 1.00 0.00 H new ATOM 1020 N LEU A 61 -1.303 2.146 -3.715 1.00 0.00 N ATOM 1021 CA LEU A 61 -1.542 1.333 -2.548 1.00 0.00 C ATOM 1022 C LEU A 61 -0.751 1.813 -1.368 1.00 0.00 C ATOM 1023 O LEU A 61 -0.928 1.278 -0.288 1.00 0.00 O ATOM 1024 CB LEU A 61 -1.244 -0.152 -2.765 1.00 0.00 C ATOM 1025 CG LEU A 61 0.228 -0.588 -2.885 1.00 0.00 C ATOM 1026 CD1 LEU A 61 0.682 -0.563 -4.335 1.00 0.00 C ATOM 1027 CD2 LEU A 61 1.173 0.236 -2.016 1.00 0.00 C ATOM 0 H LEU A 61 -0.774 1.698 -4.463 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.609 1.437 -2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.689 -0.705 -1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.759 -0.466 -3.673 1.00 0.00 H new ATOM 0 HG LEU A 61 0.274 -1.611 -2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.725 -0.875 -4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.065 -1.244 -4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.582 0.448 -4.730 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.194 -0.123 -2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.116 1.284 -2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.885 0.136 -0.969 1.00 0.00 H new ATOM 1039 N ALA A 62 0.132 2.805 -1.541 1.00 0.00 N ATOM 1040 CA ALA A 62 0.913 3.252 -0.405 1.00 0.00 C ATOM 1041 C ALA A 62 0.022 3.751 0.701 1.00 0.00 C ATOM 1042 O ALA A 62 0.502 4.130 1.760 1.00 0.00 O ATOM 1043 CB ALA A 62 1.948 4.292 -0.727 1.00 0.00 C ATOM 0 H ALA A 62 0.312 3.289 -2.421 1.00 0.00 H new ATOM 0 HA ALA A 62 1.460 2.367 -0.079 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.483 4.566 0.182 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.652 3.891 -1.456 1.00 0.00 H new ATOM 0 HB3 ALA A 62 1.460 5.174 -1.141 1.00 0.00 H new ATOM 1049 N ASP A 63 -1.278 3.694 0.477 1.00 0.00 N ATOM 1050 CA ASP A 63 -2.229 4.075 1.470 1.00 0.00 C ATOM 1051 C ASP A 63 -3.057 2.875 1.744 1.00 0.00 C ATOM 1052 O ASP A 63 -3.529 2.687 2.845 1.00 0.00 O ATOM 1053 CB ASP A 63 -3.076 5.227 0.966 1.00 0.00 C ATOM 1054 CG ASP A 63 -3.657 6.108 2.071 1.00 0.00 C ATOM 1055 OD1 ASP A 63 -2.943 6.352 3.068 1.00 0.00 O ATOM 1056 OD2 ASP A 63 -4.835 6.554 1.938 1.00 0.00 O ATOM 0 H ASP A 63 -1.690 3.381 -0.402 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.742 4.417 2.383 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.470 5.846 0.304 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.895 4.827 0.368 1.00 0.00 H new ATOM 1061 N LEU A 64 -3.179 2.023 0.739 1.00 0.00 N ATOM 1062 CA LEU A 64 -3.902 0.800 0.918 1.00 0.00 C ATOM 1063 C LEU A 64 -3.160 -0.365 0.302 1.00 0.00 C ATOM 1064 O LEU A 64 -3.293 -0.681 -0.867 1.00 0.00 O ATOM 1065 CB LEU A 64 -5.247 0.903 0.280 1.00 0.00 C ATOM 1066 CG LEU A 64 -5.170 1.285 -1.193 1.00 0.00 C ATOM 1067 CD1 LEU A 64 -5.167 0.064 -2.076 1.00 0.00 C ATOM 1068 CD2 LEU A 64 -6.285 2.238 -1.581 1.00 0.00 C ATOM 0 H LEU A 64 -2.788 2.163 -0.193 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.007 0.629 1.989 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.765 -0.051 0.377 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.842 1.645 0.813 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.225 1.807 -1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.111 0.371 -3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.305 -0.558 -1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.082 -0.505 -1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.198 2.488 -2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.249 1.763 -1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.210 3.148 -0.985 1.00 0.00 H new ATOM 1080 N THR A 65 -2.407 -1.009 1.126 1.00 0.00 N ATOM 1081 CA THR A 65 -1.637 -2.183 0.730 1.00 0.00 C ATOM 1082 C THR A 65 -2.312 -3.409 1.311 1.00 0.00 C ATOM 1083 O THR A 65 -3.301 -3.266 2.013 1.00 0.00 O ATOM 1084 CB THR A 65 -0.186 -2.135 1.235 1.00 0.00 C ATOM 1085 OG1 THR A 65 -0.030 -1.183 2.244 1.00 0.00 O ATOM 1086 CG2 THR A 65 0.825 -1.842 0.155 1.00 0.00 C ATOM 0 H THR A 65 -2.294 -0.750 2.106 1.00 0.00 H new ATOM 0 HA THR A 65 -1.605 -2.213 -0.359 1.00 0.00 H new ATOM 0 HB THR A 65 0.006 -3.138 1.617 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.779 -1.382 2.760 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.825 -1.824 0.588 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.775 -2.616 -0.610 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.607 -0.873 -0.294 1.00 0.00 H new ATOM 1094 N PRO A 66 -1.766 -4.627 1.107 1.00 0.00 N ATOM 1095 CA PRO A 66 -2.302 -5.855 1.712 1.00 0.00 C ATOM 1096 C PRO A 66 -2.859 -5.572 3.100 1.00 0.00 C ATOM 1097 O PRO A 66 -3.824 -6.196 3.538 1.00 0.00 O ATOM 1098 CB PRO A 66 -1.049 -6.746 1.803 1.00 0.00 C ATOM 1099 CG PRO A 66 0.061 -5.816 1.443 1.00 0.00 C ATOM 1100 CD PRO A 66 -0.541 -4.949 0.394 1.00 0.00 C ATOM 0 HA PRO A 66 -3.121 -6.301 1.148 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.920 -7.158 2.804 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.105 -7.590 1.116 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.393 -5.234 2.303 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.931 -6.355 1.068 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.064 -4.072 0.163 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.717 -5.472 -0.546 1.00 0.00 H new ATOM 1108 N GLU A 67 -2.264 -4.579 3.770 1.00 0.00 N ATOM 1109 CA GLU A 67 -2.734 -4.166 5.086 1.00 0.00 C ATOM 1110 C GLU A 67 -4.190 -3.817 4.955 1.00 0.00 C ATOM 1111 O GLU A 67 -5.074 -4.370 5.608 1.00 0.00 O ATOM 1112 CB GLU A 67 -2.030 -2.858 5.514 1.00 0.00 C ATOM 1113 CG GLU A 67 -0.693 -2.593 4.853 1.00 0.00 C ATOM 1114 CD GLU A 67 0.223 -3.804 4.843 1.00 0.00 C ATOM 1115 OE1 GLU A 67 0.061 -4.677 5.722 1.00 0.00 O ATOM 1116 OE2 GLU A 67 1.100 -3.879 3.957 1.00 0.00 O ATOM 0 H GLU A 67 -1.462 -4.053 3.421 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.542 -4.965 5.803 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.694 -2.021 5.300 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.884 -2.881 6.594 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.861 -2.265 3.827 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.195 -1.774 5.372 1.00 0.00 H new ATOM 1123 N GLU A 68 -4.390 -2.900 4.034 1.00 0.00 N ATOM 1124 CA GLU A 68 -5.695 -2.413 3.663 1.00 0.00 C ATOM 1125 C GLU A 68 -6.405 -3.415 2.767 1.00 0.00 C ATOM 1126 O GLU A 68 -7.562 -3.767 2.971 1.00 0.00 O ATOM 1127 CB GLU A 68 -5.547 -1.085 2.948 1.00 0.00 C ATOM 1128 CG GLU A 68 -6.863 -0.528 2.463 1.00 0.00 C ATOM 1129 CD GLU A 68 -7.293 -1.174 1.165 1.00 0.00 C ATOM 1130 OE1 GLU A 68 -6.394 -1.530 0.370 1.00 0.00 O ATOM 1131 OE2 GLU A 68 -8.512 -1.329 0.945 1.00 0.00 O ATOM 0 H GLU A 68 -3.630 -2.464 3.512 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.295 -2.278 4.563 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.080 -0.366 3.621 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.876 -1.209 2.098 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.629 -0.688 3.222 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.774 0.549 2.323 1.00 0.00 H new ATOM 1138 N PHE A 69 -5.669 -3.825 1.742 1.00 0.00 N ATOM 1139 CA PHE A 69 -6.143 -4.747 0.726 1.00 0.00 C ATOM 1140 C PHE A 69 -6.725 -6.020 1.342 1.00 0.00 C ATOM 1141 O PHE A 69 -7.824 -6.446 0.985 1.00 0.00 O ATOM 1142 CB PHE A 69 -4.967 -5.088 -0.202 1.00 0.00 C ATOM 1143 CG PHE A 69 -4.895 -4.258 -1.459 1.00 0.00 C ATOM 1144 CD1 PHE A 69 -5.780 -4.501 -2.497 1.00 0.00 C ATOM 1145 CD2 PHE A 69 -3.933 -3.249 -1.621 1.00 0.00 C ATOM 1146 CE1 PHE A 69 -5.722 -3.768 -3.666 1.00 0.00 C ATOM 1147 CE2 PHE A 69 -3.881 -2.519 -2.793 1.00 0.00 C ATOM 1148 CZ PHE A 69 -4.773 -2.778 -3.814 1.00 0.00 C ATOM 0 H PHE A 69 -4.708 -3.518 1.594 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.947 -4.273 0.162 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -4.037 -4.964 0.352 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.035 -6.140 -0.481 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.526 -5.275 -2.390 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.231 -3.042 -0.827 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.420 -3.970 -4.465 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.139 -1.743 -2.911 1.00 0.00 H new ATOM 0 HZ PHE A 69 -4.728 -2.206 -4.729 1.00 0.00 H new ATOM 1158 N ALA A 70 -5.981 -6.627 2.257 1.00 0.00 N ATOM 1159 CA ALA A 70 -6.420 -7.855 2.911 1.00 0.00 C ATOM 1160 C ALA A 70 -7.377 -7.582 4.071 1.00 0.00 C ATOM 1161 O ALA A 70 -8.167 -8.449 4.446 1.00 0.00 O ATOM 1162 CB ALA A 70 -5.215 -8.645 3.399 1.00 0.00 C ATOM 0 H ALA A 70 -5.069 -6.289 2.564 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.966 -8.441 2.172 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.553 -9.560 3.886 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.579 -8.899 2.551 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.649 -8.043 4.110 1.00 0.00 H new ATOM 1168 N GLN A 71 -7.295 -6.387 4.651 1.00 0.00 N ATOM 1169 CA GLN A 71 -8.153 -6.033 5.781 1.00 0.00 C ATOM 1170 C GLN A 71 -9.388 -5.245 5.343 1.00 0.00 C ATOM 1171 O GLN A 71 -10.285 -4.995 6.148 1.00 0.00 O ATOM 1172 CB GLN A 71 -7.363 -5.225 6.812 1.00 0.00 C ATOM 1173 CG GLN A 71 -7.993 -5.223 8.196 1.00 0.00 C ATOM 1174 CD GLN A 71 -7.938 -6.584 8.863 1.00 0.00 C ATOM 1175 OE1 GLN A 71 -7.011 -7.362 8.636 1.00 0.00 O ATOM 1176 NE2 GLN A 71 -8.933 -6.877 9.692 1.00 0.00 N ATOM 0 H GLN A 71 -6.649 -5.652 4.361 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.497 -6.965 6.229 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.353 -5.630 6.882 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.271 -4.197 6.462 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.481 -4.494 8.824 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.032 -4.902 8.118 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.681 -6.201 9.850 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.950 -7.778 10.171 1.00 0.00 H new ATOM 1185 N ARG A 72 -9.443 -4.867 4.069 1.00 0.00 N ATOM 1186 CA ARG A 72 -10.583 -4.128 3.547 1.00 0.00 C ATOM 1187 C ARG A 72 -11.646 -5.102 3.071 1.00 0.00 C ATOM 1188 O ARG A 72 -12.845 -4.843 3.177 1.00 0.00 O ATOM 1189 CB ARG A 72 -10.161 -3.195 2.407 1.00 0.00 C ATOM 1190 CG ARG A 72 -9.712 -3.922 1.147 1.00 0.00 C ATOM 1191 CD ARG A 72 -10.699 -3.725 0.007 1.00 0.00 C ATOM 1192 NE ARG A 72 -10.175 -4.223 -1.264 1.00 0.00 N ATOM 1193 CZ ARG A 72 -9.344 -3.536 -2.045 1.00 0.00 C ATOM 1194 NH1 ARG A 72 -8.934 -2.324 -1.689 1.00 0.00 N ATOM 1195 NH2 ARG A 72 -8.921 -4.062 -3.186 1.00 0.00 N ATOM 0 H ARG A 72 -8.713 -5.060 3.383 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.993 -3.510 4.346 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.996 -2.541 2.158 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.349 -2.557 2.755 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.730 -3.558 0.846 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.606 -4.986 1.358 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.631 -4.240 0.241 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.935 -2.665 -0.089 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.463 -5.152 -1.571 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.256 -1.914 -0.812 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.297 -1.803 -2.292 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -9.232 -4.992 -3.465 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.284 -3.536 -3.785 1.00 0.00 H new