USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 656 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 81 THR OG1 : rot -69:sc= 0.628 USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= 0.193 USER MOD Set 2.1: A 17 TYR OH : rot 5:sc= 0.294 USER MOD Set 2.2: A 75 HIS : no HD1:sc= 0.273 K(o=0.57,f=-0.23) USER MOD Set 3.1: A 40 GLN : amide:sc= 0 X(o=0,f=-0.0064) USER MOD Set 3.2: A 41 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.17 X(o=-0.17,f=-0.0046) USER MOD Single : A 18 THR OG1 : rot 5:sc= 0.871 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.295 K(o=-0.29,f=0.52) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -4.22! K(o=-4.2!,f=-1.7) USER MOD Single : A 28 TYR OH : rot 180:sc= -1.41 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot -40:sc= -1.15! USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 149:sc= 0.384 USER MOD Single : A 76 CYS SG : rot -9:sc= -3.21! USER MOD Single : A 84 MET CE :methyl -151:sc= -3.05! (180deg=-4.64!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -1.32 K(o=-1.3,f=-0.4) USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ -171:sc= 1.25 (180deg=1.13) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 10 -3.721 2.698 7.696 1.00 0.00 N ATOM 100 CA LYS A 10 -3.660 1.257 7.488 1.00 0.00 C ATOM 101 C LYS A 10 -2.220 0.759 7.545 1.00 0.00 C ATOM 102 O LYS A 10 -1.282 1.516 7.298 1.00 0.00 O ATOM 103 CB LYS A 10 -4.285 0.889 6.140 1.00 0.00 C ATOM 104 CG LYS A 10 -4.903 -0.498 6.114 1.00 0.00 C ATOM 105 CD LYS A 10 -6.048 -0.580 5.118 1.00 0.00 C ATOM 106 CE LYS A 10 -6.418 -2.023 4.812 1.00 0.00 C ATOM 107 NZ LYS A 10 -7.182 -2.648 5.928 1.00 0.00 N ATOM 0 HA LYS A 10 -4.224 0.776 8.287 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.051 1.624 5.892 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.521 0.951 5.366 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.140 -1.232 5.854 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.266 -0.754 7.109 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.917 -0.057 5.517 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.766 -0.072 4.196 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.013 -2.060 3.899 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.511 -2.599 4.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.415 -3.631 5.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.605 -2.636 6.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.060 -2.114 6.090 1.00 0.00 H new ATOM 121 N GLU A 11 -2.052 -0.519 7.872 1.00 0.00 N ATOM 122 CA GLU A 11 -0.725 -1.116 7.960 1.00 0.00 C ATOM 123 C GLU A 11 -0.808 -2.639 7.898 1.00 0.00 C ATOM 124 O GLU A 11 -1.871 -3.222 8.107 1.00 0.00 O ATOM 125 CB GLU A 11 -0.033 -0.685 9.255 1.00 0.00 C ATOM 126 CG GLU A 11 -0.803 -1.057 10.510 1.00 0.00 C ATOM 127 CD GLU A 11 -2.128 -0.327 10.619 1.00 0.00 C ATOM 128 OE1 GLU A 11 -2.160 0.890 10.344 1.00 0.00 O ATOM 129 OE2 GLU A 11 -3.134 -0.975 10.979 1.00 0.00 O ATOM 0 H GLU A 11 -2.818 -1.160 8.080 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.140 -0.766 7.109 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.956 -1.141 9.297 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.114 0.395 9.236 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.983 -2.132 10.516 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.195 -0.831 11.386 1.00 0.00 H new ATOM 136 N GLY A 12 0.322 -3.277 7.608 1.00 0.00 N ATOM 137 CA GLY A 12 0.356 -4.725 7.522 1.00 0.00 C ATOM 138 C GLY A 12 1.347 -5.221 6.488 1.00 0.00 C ATOM 139 O GLY A 12 1.770 -4.467 5.612 1.00 0.00 O ATOM 0 H GLY A 12 1.215 -2.816 7.431 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.616 -5.138 8.497 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.639 -5.095 7.274 1.00 0.00 H new ATOM 143 N TRP A 13 1.719 -6.492 6.591 1.00 0.00 N ATOM 144 CA TRP A 13 2.669 -7.088 5.658 1.00 0.00 C ATOM 145 C TRP A 13 1.973 -7.514 4.370 1.00 0.00 C ATOM 146 O TRP A 13 0.997 -8.264 4.400 1.00 0.00 O ATOM 147 CB TRP A 13 3.360 -8.292 6.301 1.00 0.00 C ATOM 148 CG TRP A 13 4.365 -7.911 7.346 1.00 0.00 C ATOM 149 CD1 TRP A 13 4.105 -7.417 8.592 1.00 0.00 C ATOM 150 CD2 TRP A 13 5.790 -7.994 7.234 1.00 0.00 C ATOM 151 NE1 TRP A 13 5.283 -7.186 9.261 1.00 0.00 N ATOM 152 CE2 TRP A 13 6.331 -7.533 8.450 1.00 0.00 C ATOM 153 CE3 TRP A 13 6.662 -8.414 6.225 1.00 0.00 C ATOM 154 CZ2 TRP A 13 7.703 -7.480 8.682 1.00 0.00 C ATOM 155 CZ3 TRP A 13 8.023 -8.360 6.457 1.00 0.00 C ATOM 156 CH2 TRP A 13 8.533 -7.897 7.677 1.00 0.00 C ATOM 0 H TRP A 13 1.378 -7.129 7.311 1.00 0.00 H new ATOM 0 HA TRP A 13 3.419 -6.336 5.412 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.606 -8.938 6.751 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.856 -8.874 5.525 1.00 0.00 H new ATOM 0 HD1 TRP A 13 3.119 -7.235 8.993 1.00 0.00 H new ATOM 0 HE1 TRP A 13 5.364 -6.816 10.208 1.00 0.00 H new ATOM 0 HE3 TRP A 13 6.279 -8.774 5.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 8.098 -7.123 9.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 8.706 -8.680 5.684 1.00 0.00 H new ATOM 0 HH2 TRP A 13 9.602 -7.869 7.827 1.00 0.00 H new ATOM 167 N MET A 14 2.480 -7.030 3.241 1.00 0.00 N ATOM 168 CA MET A 14 1.906 -7.363 1.942 1.00 0.00 C ATOM 169 C MET A 14 3.001 -7.698 0.934 1.00 0.00 C ATOM 170 O MET A 14 4.163 -7.337 1.121 1.00 0.00 O ATOM 171 CB MET A 14 1.057 -6.202 1.423 1.00 0.00 C ATOM 172 CG MET A 14 0.122 -6.591 0.289 1.00 0.00 C ATOM 173 SD MET A 14 -1.010 -7.917 0.747 1.00 0.00 S ATOM 174 CE MET A 14 -2.542 -7.007 0.926 1.00 0.00 C ATOM 0 H MET A 14 3.286 -6.407 3.199 1.00 0.00 H new ATOM 0 HA MET A 14 1.271 -8.240 2.067 1.00 0.00 H new ATOM 0 HB2 MET A 14 0.468 -5.797 2.246 1.00 0.00 H new ATOM 0 HB3 MET A 14 1.717 -5.405 1.081 1.00 0.00 H new ATOM 0 HG2 MET A 14 -0.453 -5.718 -0.019 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.712 -6.904 -0.572 1.00 0.00 H new ATOM 0 HE1 MET A 14 -3.341 -7.692 1.208 1.00 0.00 H new ATOM 0 HE2 MET A 14 -2.426 -6.247 1.699 1.00 0.00 H new ATOM 0 HE3 MET A 14 -2.793 -6.527 -0.020 1.00 0.00 H new ATOM 184 N VAL A 15 2.622 -8.391 -0.136 1.00 0.00 N ATOM 185 CA VAL A 15 3.572 -8.774 -1.174 1.00 0.00 C ATOM 186 C VAL A 15 3.254 -8.078 -2.493 1.00 0.00 C ATOM 187 O VAL A 15 2.100 -8.026 -2.917 1.00 0.00 O ATOM 188 CB VAL A 15 3.575 -10.297 -1.398 1.00 0.00 C ATOM 189 CG1 VAL A 15 3.977 -11.024 -0.123 1.00 0.00 C ATOM 190 CG2 VAL A 15 2.211 -10.767 -1.880 1.00 0.00 C ATOM 0 H VAL A 15 1.664 -8.698 -0.306 1.00 0.00 H new ATOM 0 HA VAL A 15 4.559 -8.463 -0.831 1.00 0.00 H new ATOM 0 HB VAL A 15 4.309 -10.531 -2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.973 -12.099 -0.301 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.977 -10.709 0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.269 -10.785 0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.231 -11.846 -2.033 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.456 -10.521 -1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.967 -10.272 -2.820 1.00 0.00 H new ATOM 200 N HIS A 16 4.287 -7.543 -3.137 1.00 0.00 N ATOM 201 CA HIS A 16 4.119 -6.851 -4.410 1.00 0.00 C ATOM 202 C HIS A 16 5.296 -7.128 -5.339 1.00 0.00 C ATOM 203 O HIS A 16 6.316 -7.677 -4.919 1.00 0.00 O ATOM 204 CB HIS A 16 3.978 -5.346 -4.180 1.00 0.00 C ATOM 205 CG HIS A 16 5.288 -4.619 -4.154 1.00 0.00 C ATOM 206 ND1 HIS A 16 6.242 -4.823 -3.179 1.00 0.00 N ATOM 207 CD2 HIS A 16 5.800 -3.686 -4.990 1.00 0.00 C ATOM 208 CE1 HIS A 16 7.283 -4.046 -3.417 1.00 0.00 C ATOM 209 NE2 HIS A 16 7.041 -3.347 -4.510 1.00 0.00 N ATOM 0 H HIS A 16 5.249 -7.575 -2.798 1.00 0.00 H new ATOM 0 HA HIS A 16 3.211 -7.226 -4.883 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.353 -4.923 -4.967 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.460 -5.178 -3.236 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.322 -3.283 -5.871 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.180 -3.992 -2.819 1.00 0.00 H new ATOM 0 HE2 HIS A 16 7.673 -2.666 -4.930 1.00 0.00 H new ATOM 218 N TYR A 17 5.149 -6.746 -6.603 1.00 0.00 N ATOM 219 CA TYR A 17 6.199 -6.957 -7.592 1.00 0.00 C ATOM 220 C TYR A 17 6.120 -5.911 -8.701 1.00 0.00 C ATOM 221 O TYR A 17 5.069 -5.313 -8.934 1.00 0.00 O ATOM 222 CB TYR A 17 6.091 -8.360 -8.191 1.00 0.00 C ATOM 223 CG TYR A 17 4.788 -8.610 -8.917 1.00 0.00 C ATOM 224 CD1 TYR A 17 3.661 -9.047 -8.232 1.00 0.00 C ATOM 225 CD2 TYR A 17 4.685 -8.410 -10.288 1.00 0.00 C ATOM 226 CE1 TYR A 17 2.469 -9.277 -8.892 1.00 0.00 C ATOM 227 CE2 TYR A 17 3.497 -8.636 -10.956 1.00 0.00 C ATOM 228 CZ TYR A 17 2.392 -9.070 -10.253 1.00 0.00 C ATOM 229 OH TYR A 17 1.207 -9.298 -10.915 1.00 0.00 O ATOM 0 H TYR A 17 4.313 -6.289 -6.967 1.00 0.00 H new ATOM 0 HA TYR A 17 7.161 -6.857 -7.090 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.918 -8.515 -8.883 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.200 -9.096 -7.394 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.718 -9.210 -7.166 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.549 -8.072 -10.841 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.602 -9.617 -8.345 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.434 -8.474 -12.022 1.00 0.00 H new ATOM 0 HH TYR A 17 0.508 -9.524 -10.266 1.00 0.00 H new ATOM 239 N THR A 18 7.241 -5.696 -9.383 1.00 0.00 N ATOM 240 CA THR A 18 7.301 -4.724 -10.467 1.00 0.00 C ATOM 241 C THR A 18 7.097 -5.395 -11.820 1.00 0.00 C ATOM 242 O THR A 18 7.250 -6.610 -11.950 1.00 0.00 O ATOM 243 CB THR A 18 8.647 -3.975 -10.476 1.00 0.00 C ATOM 244 OG1 THR A 18 9.727 -4.910 -10.582 1.00 0.00 O ATOM 245 CG2 THR A 18 8.812 -3.143 -9.213 1.00 0.00 C ATOM 0 H THR A 18 8.119 -6.182 -9.203 1.00 0.00 H new ATOM 0 HA THR A 18 6.497 -4.009 -10.295 1.00 0.00 H new ATOM 0 HB THR A 18 8.660 -3.306 -11.337 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.367 -5.814 -10.696 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.770 -2.623 -9.242 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.005 -2.413 -9.150 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.780 -3.796 -8.341 1.00 0.00 H new ATOM 253 N SER A 19 6.752 -4.597 -12.825 1.00 0.00 N ATOM 254 CA SER A 19 6.524 -5.115 -14.169 1.00 0.00 C ATOM 255 C SER A 19 7.814 -5.673 -14.762 1.00 0.00 C ATOM 256 O SER A 19 7.850 -6.805 -15.246 1.00 0.00 O ATOM 257 CB SER A 19 5.966 -4.016 -15.075 1.00 0.00 C ATOM 258 OG SER A 19 5.464 -4.557 -16.285 1.00 0.00 O ATOM 0 H SER A 19 6.624 -3.589 -12.734 1.00 0.00 H new ATOM 0 HA SER A 19 5.796 -5.924 -14.101 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.171 -3.481 -14.555 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.748 -3.290 -15.295 1.00 0.00 H new ATOM 0 HG SER A 19 5.112 -3.834 -16.845 1.00 0.00 H new ATOM 264 N ARG A 20 8.872 -4.870 -14.722 1.00 0.00 N ATOM 265 CA ARG A 20 10.165 -5.282 -15.256 1.00 0.00 C ATOM 266 C ARG A 20 10.666 -6.541 -14.555 1.00 0.00 C ATOM 267 O ARG A 20 10.830 -7.588 -15.182 1.00 0.00 O ATOM 268 CB ARG A 20 11.188 -4.155 -15.098 1.00 0.00 C ATOM 269 CG ARG A 20 10.988 -3.009 -16.076 1.00 0.00 C ATOM 270 CD ARG A 20 11.680 -3.281 -17.402 1.00 0.00 C ATOM 271 NE ARG A 20 11.473 -2.198 -18.360 1.00 0.00 N ATOM 272 CZ ARG A 20 12.208 -2.034 -19.454 1.00 0.00 C ATOM 273 NH1 ARG A 20 13.193 -2.879 -19.728 1.00 0.00 N ATOM 274 NH2 ARG A 20 11.959 -1.024 -20.277 1.00 0.00 N ATOM 0 H ARG A 20 8.860 -3.930 -14.325 1.00 0.00 H new ATOM 0 HA ARG A 20 10.039 -5.503 -16.316 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.134 -3.767 -14.081 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.190 -4.564 -15.231 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.922 -2.856 -16.245 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.378 -2.088 -15.643 1.00 0.00 H new ATOM 0 HD2 ARG A 20 12.748 -3.416 -17.232 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.304 -4.214 -17.822 1.00 0.00 H new ATOM 0 HE ARG A 20 10.723 -1.531 -18.179 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.388 -3.657 -19.098 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.756 -2.751 -20.569 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.202 -0.372 -20.070 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.524 -0.899 -21.117 1.00 0.00 H new ATOM 288 N ASP A 21 10.909 -6.431 -13.254 1.00 0.00 N ATOM 289 CA ASP A 21 11.391 -7.561 -12.468 1.00 0.00 C ATOM 290 C ASP A 21 10.237 -8.263 -11.761 1.00 0.00 C ATOM 291 O ASP A 21 9.346 -7.616 -11.211 1.00 0.00 O ATOM 292 CB ASP A 21 12.424 -7.092 -11.442 1.00 0.00 C ATOM 293 CG ASP A 21 13.330 -6.005 -11.988 1.00 0.00 C ATOM 294 OD1 ASP A 21 13.954 -6.229 -13.045 1.00 0.00 O ATOM 295 OD2 ASP A 21 13.415 -4.930 -11.357 1.00 0.00 O ATOM 0 H ASP A 21 10.780 -5.571 -12.721 1.00 0.00 H new ATOM 0 HA ASP A 21 11.862 -8.270 -13.148 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.909 -6.721 -10.556 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.030 -7.941 -11.126 1.00 0.00 H new ATOM 300 N ASN A 22 10.259 -9.592 -11.780 1.00 0.00 N ATOM 301 CA ASN A 22 9.212 -10.383 -11.141 1.00 0.00 C ATOM 302 C ASN A 22 9.730 -11.043 -9.867 1.00 0.00 C ATOM 303 O ASN A 22 9.844 -12.267 -9.791 1.00 0.00 O ATOM 304 CB ASN A 22 8.690 -11.450 -12.106 1.00 0.00 C ATOM 305 CG ASN A 22 9.808 -12.144 -12.860 1.00 0.00 C ATOM 306 OD1 ASN A 22 10.519 -12.982 -12.305 1.00 0.00 O ATOM 307 ND2 ASN A 22 9.968 -11.798 -14.132 1.00 0.00 N ATOM 0 H ASN A 22 10.989 -10.144 -12.230 1.00 0.00 H new ATOM 0 HA ASN A 22 8.395 -9.712 -10.875 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.117 -12.191 -11.549 1.00 0.00 H new ATOM 0 HB3 ASN A 22 8.007 -10.988 -12.819 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.704 -12.232 -14.690 1.00 0.00 H new ATOM 0 HD22 ASN A 22 9.355 -11.099 -14.551 1.00 0.00 H new ATOM 314 N LEU A 23 10.043 -10.225 -8.869 1.00 0.00 N ATOM 315 CA LEU A 23 10.548 -10.729 -7.596 1.00 0.00 C ATOM 316 C LEU A 23 9.630 -10.326 -6.447 1.00 0.00 C ATOM 317 O LEU A 23 9.731 -9.219 -5.917 1.00 0.00 O ATOM 318 CB LEU A 23 11.962 -10.203 -7.342 1.00 0.00 C ATOM 319 CG LEU A 23 12.789 -10.971 -6.311 1.00 0.00 C ATOM 320 CD1 LEU A 23 13.098 -12.373 -6.813 1.00 0.00 C ATOM 321 CD2 LEU A 23 14.075 -10.222 -5.993 1.00 0.00 C ATOM 0 H LEU A 23 9.956 -9.210 -8.916 1.00 0.00 H new ATOM 0 HA LEU A 23 10.575 -11.817 -7.650 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.504 -10.205 -8.288 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.889 -9.165 -7.019 1.00 0.00 H new ATOM 0 HG LEU A 23 12.205 -11.055 -5.395 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.687 -12.905 -6.066 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.166 -12.910 -6.990 1.00 0.00 H new ATOM 0 HD13 LEU A 23 13.662 -12.310 -7.743 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.651 -10.784 -5.257 1.00 0.00 H new ATOM 0 HD22 LEU A 23 14.663 -10.107 -6.903 1.00 0.00 H new ATOM 0 HD23 LEU A 23 13.833 -9.238 -5.590 1.00 0.00 H new ATOM 333 N ARG A 24 8.735 -11.232 -6.066 1.00 0.00 N ATOM 334 CA ARG A 24 7.799 -10.971 -4.979 1.00 0.00 C ATOM 335 C ARG A 24 8.536 -10.496 -3.730 1.00 0.00 C ATOM 336 O ARG A 24 9.500 -11.122 -3.289 1.00 0.00 O ATOM 337 CB ARG A 24 6.991 -12.230 -4.660 1.00 0.00 C ATOM 338 CG ARG A 24 5.695 -11.950 -3.917 1.00 0.00 C ATOM 339 CD ARG A 24 4.869 -13.215 -3.742 1.00 0.00 C ATOM 340 NE ARG A 24 4.525 -13.825 -5.023 1.00 0.00 N ATOM 341 CZ ARG A 24 5.323 -14.660 -5.678 1.00 0.00 C ATOM 342 NH1 ARG A 24 6.507 -14.983 -5.175 1.00 0.00 N ATOM 343 NH2 ARG A 24 4.939 -15.175 -6.839 1.00 0.00 N ATOM 0 H ARG A 24 8.638 -12.153 -6.494 1.00 0.00 H new ATOM 0 HA ARG A 24 7.118 -10.183 -5.300 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.762 -12.750 -5.590 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.605 -12.903 -4.062 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.920 -11.523 -2.940 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.114 -11.207 -4.464 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.426 -13.931 -3.137 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.956 -12.979 -3.196 1.00 0.00 H new ATOM 0 HE ARG A 24 3.621 -13.597 -5.438 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.807 -14.590 -4.283 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.118 -15.625 -5.680 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.029 -14.930 -7.230 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.553 -15.816 -7.341 1.00 0.00 H new ATOM 357 N LYS A 25 8.075 -9.386 -3.163 1.00 0.00 N ATOM 358 CA LYS A 25 8.688 -8.827 -1.965 1.00 0.00 C ATOM 359 C LYS A 25 7.638 -8.562 -0.890 1.00 0.00 C ATOM 360 O LYS A 25 6.654 -7.862 -1.129 1.00 0.00 O ATOM 361 CB LYS A 25 9.426 -7.529 -2.302 1.00 0.00 C ATOM 362 CG LYS A 25 10.879 -7.740 -2.691 1.00 0.00 C ATOM 363 CD LYS A 25 11.498 -6.468 -3.246 1.00 0.00 C ATOM 364 CE LYS A 25 12.784 -6.759 -4.003 1.00 0.00 C ATOM 365 NZ LYS A 25 13.571 -5.520 -4.257 1.00 0.00 N ATOM 0 H LYS A 25 7.278 -8.856 -3.515 1.00 0.00 H new ATOM 0 HA LYS A 25 9.403 -9.554 -1.580 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.908 -7.028 -3.120 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.382 -6.862 -1.441 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.445 -8.071 -1.821 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.946 -8.533 -3.436 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.787 -5.976 -3.910 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.704 -5.776 -2.429 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.390 -7.463 -3.433 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.546 -7.239 -4.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.440 -5.761 -4.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.003 -4.858 -4.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.820 -5.075 -3.351 1.00 0.00 H new ATOM 379 N ARG A 26 7.856 -9.124 0.295 1.00 0.00 N ATOM 380 CA ARG A 26 6.928 -8.948 1.406 1.00 0.00 C ATOM 381 C ARG A 26 7.510 -8.004 2.454 1.00 0.00 C ATOM 382 O ARG A 26 8.569 -8.268 3.024 1.00 0.00 O ATOM 383 CB ARG A 26 6.603 -10.299 2.045 1.00 0.00 C ATOM 384 CG ARG A 26 5.423 -10.251 3.003 1.00 0.00 C ATOM 385 CD ARG A 26 5.562 -11.285 4.109 1.00 0.00 C ATOM 386 NE ARG A 26 5.642 -12.644 3.581 1.00 0.00 N ATOM 387 CZ ARG A 26 5.317 -13.725 4.282 1.00 0.00 C ATOM 388 NH1 ARG A 26 4.892 -13.605 5.533 1.00 0.00 N ATOM 389 NH2 ARG A 26 5.416 -14.928 3.732 1.00 0.00 N ATOM 0 H ARG A 26 8.667 -9.705 0.510 1.00 0.00 H new ATOM 0 HA ARG A 26 6.010 -8.509 1.015 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.392 -11.023 1.258 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.481 -10.659 2.581 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.349 -9.256 3.441 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.499 -10.427 2.453 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.456 -11.071 4.695 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.711 -11.209 4.786 1.00 0.00 H new ATOM 0 HE ARG A 26 5.965 -12.770 2.622 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.814 -12.681 5.959 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.643 -14.436 6.069 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.742 -15.024 2.770 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.166 -15.757 4.271 1.00 0.00 H new ATOM 403 N HIS A 27 6.809 -6.902 2.704 1.00 0.00 N ATOM 404 CA HIS A 27 7.256 -5.918 3.684 1.00 0.00 C ATOM 405 C HIS A 27 6.069 -5.327 4.440 1.00 0.00 C ATOM 406 O HIS A 27 4.928 -5.407 3.984 1.00 0.00 O ATOM 407 CB HIS A 27 8.044 -4.803 2.996 1.00 0.00 C ATOM 408 CG HIS A 27 9.156 -5.304 2.127 1.00 0.00 C ATOM 409 ND1 HIS A 27 9.375 -4.844 0.846 1.00 0.00 N ATOM 410 CD2 HIS A 27 10.116 -6.228 2.363 1.00 0.00 C ATOM 411 CE1 HIS A 27 10.420 -5.466 0.330 1.00 0.00 C ATOM 412 NE2 HIS A 27 10.888 -6.311 1.231 1.00 0.00 N ATOM 0 H HIS A 27 5.930 -6.668 2.242 1.00 0.00 H new ATOM 0 HA HIS A 27 7.905 -6.423 4.399 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.361 -4.207 2.391 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.458 -4.140 3.756 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.250 -6.795 3.273 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.823 -5.310 -0.660 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.692 -6.925 1.106 1.00 0.00 H new ATOM 421 N TYR A 28 6.346 -4.736 5.597 1.00 0.00 N ATOM 422 CA TYR A 28 5.301 -4.135 6.417 1.00 0.00 C ATOM 423 C TYR A 28 4.855 -2.797 5.837 1.00 0.00 C ATOM 424 O TYR A 28 5.352 -1.741 6.228 1.00 0.00 O ATOM 425 CB TYR A 28 5.798 -3.942 7.851 1.00 0.00 C ATOM 426 CG TYR A 28 4.762 -3.343 8.775 1.00 0.00 C ATOM 427 CD1 TYR A 28 3.706 -4.108 9.256 1.00 0.00 C ATOM 428 CD2 TYR A 28 4.838 -2.013 9.168 1.00 0.00 C ATOM 429 CE1 TYR A 28 2.757 -3.565 10.100 1.00 0.00 C ATOM 430 CE2 TYR A 28 3.894 -1.462 10.013 1.00 0.00 C ATOM 431 CZ TYR A 28 2.855 -2.242 10.476 1.00 0.00 C ATOM 432 OH TYR A 28 1.912 -1.698 11.317 1.00 0.00 O ATOM 0 H TYR A 28 7.285 -4.660 5.988 1.00 0.00 H new ATOM 0 HA TYR A 28 4.445 -4.810 6.423 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.115 -4.906 8.250 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.677 -3.298 7.838 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.626 -5.145 8.965 1.00 0.00 H new ATOM 0 HD2 TYR A 28 5.649 -1.399 8.807 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.942 -4.174 10.464 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.969 -0.426 10.309 1.00 0.00 H new ATOM 0 HH TYR A 28 2.127 -0.757 11.484 1.00 0.00 H new ATOM 442 N TRP A 29 3.914 -2.850 4.901 1.00 0.00 N ATOM 443 CA TRP A 29 3.398 -1.643 4.266 1.00 0.00 C ATOM 444 C TRP A 29 2.658 -0.771 5.274 1.00 0.00 C ATOM 445 O TRP A 29 1.777 -1.247 5.991 1.00 0.00 O ATOM 446 CB TRP A 29 2.468 -2.008 3.108 1.00 0.00 C ATOM 447 CG TRP A 29 3.198 -2.340 1.842 1.00 0.00 C ATOM 448 CD1 TRP A 29 4.307 -3.126 1.717 1.00 0.00 C ATOM 449 CD2 TRP A 29 2.870 -1.893 0.522 1.00 0.00 C ATOM 450 NE1 TRP A 29 4.689 -3.195 0.399 1.00 0.00 N ATOM 451 CE2 TRP A 29 3.823 -2.448 -0.355 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.863 -1.080 -0.006 1.00 0.00 C ATOM 453 CZ2 TRP A 29 3.798 -2.214 -1.727 1.00 0.00 C ATOM 454 CZ3 TRP A 29 1.839 -0.848 -1.368 1.00 0.00 C ATOM 455 CH2 TRP A 29 2.801 -1.414 -2.216 1.00 0.00 C ATOM 0 H TRP A 29 3.493 -3.716 4.565 1.00 0.00 H new ATOM 0 HA TRP A 29 4.245 -1.077 3.877 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.854 -2.860 3.399 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.789 -1.176 2.920 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.810 -3.621 2.534 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.488 -3.718 0.040 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.117 -0.641 0.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.539 -2.648 -2.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.066 -0.220 -1.786 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.755 -1.215 -3.276 1.00 0.00 H new ATOM 466 N ARG A 30 3.020 0.507 5.324 1.00 0.00 N ATOM 467 CA ARG A 30 2.389 1.444 6.245 1.00 0.00 C ATOM 468 C ARG A 30 1.803 2.635 5.493 1.00 0.00 C ATOM 469 O ARG A 30 2.485 3.271 4.687 1.00 0.00 O ATOM 470 CB ARG A 30 3.402 1.931 7.283 1.00 0.00 C ATOM 471 CG ARG A 30 2.852 2.995 8.219 1.00 0.00 C ATOM 472 CD ARG A 30 2.206 2.374 9.448 1.00 0.00 C ATOM 473 NE ARG A 30 2.122 3.320 10.558 1.00 0.00 N ATOM 474 CZ ARG A 30 1.144 4.207 10.695 1.00 0.00 C ATOM 475 NH1 ARG A 30 0.171 4.270 9.797 1.00 0.00 N ATOM 476 NH2 ARG A 30 1.137 5.034 11.733 1.00 0.00 N ATOM 0 H ARG A 30 3.747 0.917 4.737 1.00 0.00 H new ATOM 0 HA ARG A 30 1.578 0.924 6.754 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.742 1.080 7.874 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.275 2.330 6.767 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.657 3.662 8.527 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.119 3.604 7.689 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.206 2.023 9.194 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.781 1.501 9.758 1.00 0.00 H new ATOM 0 HE ARG A 30 2.855 3.298 11.267 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.172 3.636 8.998 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.579 4.953 9.905 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.884 4.988 12.426 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.385 5.715 11.837 1.00 0.00 H new ATOM 490 N LEU A 31 0.536 2.932 5.760 1.00 0.00 N ATOM 491 CA LEU A 31 -0.142 4.047 5.108 1.00 0.00 C ATOM 492 C LEU A 31 -0.684 5.032 6.139 1.00 0.00 C ATOM 493 O LEU A 31 -1.289 4.635 7.134 1.00 0.00 O ATOM 494 CB LEU A 31 -1.284 3.531 4.230 1.00 0.00 C ATOM 495 CG LEU A 31 -2.223 4.593 3.657 1.00 0.00 C ATOM 496 CD1 LEU A 31 -1.463 5.536 2.737 1.00 0.00 C ATOM 497 CD2 LEU A 31 -3.380 3.939 2.917 1.00 0.00 C ATOM 0 H LEU A 31 -0.042 2.416 6.423 1.00 0.00 H new ATOM 0 HA LEU A 31 0.584 4.566 4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.853 2.970 3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.877 2.828 4.816 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.630 5.175 4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.147 6.285 2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.670 6.031 3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.027 4.969 1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.038 4.710 2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.992 3.332 2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.940 3.306 3.605 1.00 0.00 H new ATOM 509 N ASP A 32 -0.464 6.319 5.891 1.00 0.00 N ATOM 510 CA ASP A 32 -0.932 7.363 6.796 1.00 0.00 C ATOM 511 C ASP A 32 -1.529 8.530 6.016 1.00 0.00 C ATOM 512 O ASP A 32 -1.495 8.550 4.786 1.00 0.00 O ATOM 513 CB ASP A 32 0.216 7.856 7.677 1.00 0.00 C ATOM 514 CG ASP A 32 1.237 6.771 7.960 1.00 0.00 C ATOM 515 OD1 ASP A 32 1.795 6.215 6.992 1.00 0.00 O ATOM 516 OD2 ASP A 32 1.476 6.478 9.151 1.00 0.00 O ATOM 0 H ASP A 32 0.035 6.664 5.071 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.710 6.938 7.431 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.709 8.697 7.189 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.187 8.226 8.620 1.00 0.00 H new ATOM 521 N SER A 33 -2.078 9.500 6.740 1.00 0.00 N ATOM 522 CA SER A 33 -2.687 10.668 6.116 1.00 0.00 C ATOM 523 C SER A 33 -1.625 11.563 5.485 1.00 0.00 C ATOM 524 O SER A 33 -1.939 12.591 4.885 1.00 0.00 O ATOM 525 CB SER A 33 -3.491 11.462 7.148 1.00 0.00 C ATOM 526 OG SER A 33 -2.694 11.793 8.272 1.00 0.00 O ATOM 0 H SER A 33 -2.113 9.500 7.759 1.00 0.00 H new ATOM 0 HA SER A 33 -3.358 10.321 5.330 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.876 12.373 6.690 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.353 10.878 7.469 1.00 0.00 H new ATOM 0 HG SER A 33 -3.231 12.301 8.915 1.00 0.00 H new ATOM 532 N LYS A 34 -0.365 11.164 5.624 1.00 0.00 N ATOM 533 CA LYS A 34 0.745 11.927 5.067 1.00 0.00 C ATOM 534 C LYS A 34 1.261 11.281 3.786 1.00 0.00 C ATOM 535 O LYS A 34 1.090 11.824 2.693 1.00 0.00 O ATOM 536 CB LYS A 34 1.880 12.035 6.089 1.00 0.00 C ATOM 537 CG LYS A 34 1.481 12.749 7.368 1.00 0.00 C ATOM 538 CD LYS A 34 1.679 14.251 7.254 1.00 0.00 C ATOM 539 CE LYS A 34 0.907 14.999 8.330 1.00 0.00 C ATOM 540 NZ LYS A 34 1.346 16.417 8.443 1.00 0.00 N ATOM 0 H LYS A 34 -0.087 10.316 6.118 1.00 0.00 H new ATOM 0 HA LYS A 34 0.382 12.927 4.828 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.231 11.033 6.337 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.718 12.563 5.634 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.436 12.535 7.594 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.072 12.365 8.199 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.740 14.486 7.336 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.353 14.588 6.270 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.158 14.966 8.102 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.044 14.499 9.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.796 16.892 9.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.357 16.449 8.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.192 16.901 7.536 1.00 0.00 H new ATOM 554 N CYS A 35 1.890 10.119 3.926 1.00 0.00 N ATOM 555 CA CYS A 35 2.429 9.399 2.778 1.00 0.00 C ATOM 556 C CYS A 35 2.554 7.909 3.081 1.00 0.00 C ATOM 557 O CYS A 35 2.546 7.498 4.242 1.00 0.00 O ATOM 558 CB CYS A 35 3.794 9.967 2.388 1.00 0.00 C ATOM 559 SG CYS A 35 3.985 11.732 2.736 1.00 0.00 S ATOM 0 H CYS A 35 2.039 9.656 4.822 1.00 0.00 H new ATOM 0 HA CYS A 35 1.739 9.526 1.944 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.570 9.417 2.920 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.956 9.798 1.323 1.00 0.00 H new ATOM 0 HG CYS A 35 2.880 12.353 2.446 1.00 0.00 H new ATOM 565 N LEU A 36 2.666 7.104 2.030 1.00 0.00 N ATOM 566 CA LEU A 36 2.790 5.659 2.183 1.00 0.00 C ATOM 567 C LEU A 36 4.242 5.260 2.432 1.00 0.00 C ATOM 568 O LEU A 36 5.085 5.354 1.539 1.00 0.00 O ATOM 569 CB LEU A 36 2.261 4.947 0.936 1.00 0.00 C ATOM 570 CG LEU A 36 2.407 3.425 0.919 1.00 0.00 C ATOM 571 CD1 LEU A 36 1.471 2.787 1.934 1.00 0.00 C ATOM 572 CD2 LEU A 36 2.137 2.879 -0.475 1.00 0.00 C ATOM 0 H LEU A 36 2.673 7.428 1.063 1.00 0.00 H new ATOM 0 HA LEU A 36 2.196 5.358 3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.205 5.192 0.823 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.777 5.351 0.065 1.00 0.00 H new ATOM 0 HG LEU A 36 3.432 3.175 1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.589 1.704 1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.712 3.154 2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.440 3.046 1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.245 1.794 -0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.123 3.140 -0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.849 3.310 -1.179 1.00 0.00 H new ATOM 584 N THR A 37 4.526 4.813 3.651 1.00 0.00 N ATOM 585 CA THR A 37 5.875 4.399 4.017 1.00 0.00 C ATOM 586 C THR A 37 5.967 2.883 4.150 1.00 0.00 C ATOM 587 O THR A 37 4.985 2.217 4.480 1.00 0.00 O ATOM 588 CB THR A 37 6.321 5.046 5.342 1.00 0.00 C ATOM 589 OG1 THR A 37 5.906 6.416 5.381 1.00 0.00 O ATOM 590 CG2 THR A 37 7.831 4.963 5.503 1.00 0.00 C ATOM 0 H THR A 37 3.840 4.728 4.401 1.00 0.00 H new ATOM 0 HA THR A 37 6.536 4.733 3.217 1.00 0.00 H new ATOM 0 HB THR A 37 5.854 4.502 6.163 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.191 6.820 6.227 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.122 5.426 6.446 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.140 3.918 5.501 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.314 5.485 4.677 1.00 0.00 H new ATOM 598 N LEU A 38 7.153 2.343 3.890 1.00 0.00 N ATOM 599 CA LEU A 38 7.374 0.904 3.981 1.00 0.00 C ATOM 600 C LEU A 38 8.340 0.572 5.114 1.00 0.00 C ATOM 601 O LEU A 38 8.979 1.459 5.679 1.00 0.00 O ATOM 602 CB LEU A 38 7.920 0.367 2.656 1.00 0.00 C ATOM 603 CG LEU A 38 6.877 -0.089 1.636 1.00 0.00 C ATOM 604 CD1 LEU A 38 6.298 1.106 0.894 1.00 0.00 C ATOM 605 CD2 LEU A 38 7.488 -1.082 0.657 1.00 0.00 C ATOM 0 H LEU A 38 7.976 2.880 3.615 1.00 0.00 H new ATOM 0 HA LEU A 38 6.417 0.427 4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.532 1.143 2.197 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.580 -0.474 2.872 1.00 0.00 H new ATOM 0 HG LEU A 38 6.067 -0.586 2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.557 0.762 0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.824 1.782 1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.097 1.632 0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.732 -1.396 -0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.316 -0.610 0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.854 -1.952 1.202 1.00 0.00 H new ATOM 617 N PHE A 39 8.442 -0.713 5.440 1.00 0.00 N ATOM 618 CA PHE A 39 9.330 -1.162 6.505 1.00 0.00 C ATOM 619 C PHE A 39 9.854 -2.567 6.220 1.00 0.00 C ATOM 620 O PHE A 39 9.085 -3.526 6.162 1.00 0.00 O ATOM 621 CB PHE A 39 8.601 -1.141 7.850 1.00 0.00 C ATOM 622 CG PHE A 39 8.488 0.232 8.449 1.00 0.00 C ATOM 623 CD1 PHE A 39 7.536 1.127 7.989 1.00 0.00 C ATOM 624 CD2 PHE A 39 9.335 0.627 9.472 1.00 0.00 C ATOM 625 CE1 PHE A 39 7.429 2.391 8.538 1.00 0.00 C ATOM 626 CE2 PHE A 39 9.233 1.889 10.026 1.00 0.00 C ATOM 627 CZ PHE A 39 8.279 2.773 9.557 1.00 0.00 C ATOM 0 H PHE A 39 7.921 -1.461 4.982 1.00 0.00 H new ATOM 0 HA PHE A 39 10.178 -0.478 6.549 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.601 -1.555 7.719 1.00 0.00 H new ATOM 0 HB3 PHE A 39 9.126 -1.792 8.549 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.869 0.834 7.192 1.00 0.00 H new ATOM 0 HD2 PHE A 39 10.083 -0.059 9.841 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.682 3.079 8.171 1.00 0.00 H new ATOM 0 HE2 PHE A 39 9.898 2.184 10.824 1.00 0.00 H new ATOM 0 HZ PHE A 39 8.199 3.761 9.987 1.00 0.00 H new ATOM 637 N GLN A 40 11.166 -2.678 6.042 1.00 0.00 N ATOM 638 CA GLN A 40 11.792 -3.965 5.762 1.00 0.00 C ATOM 639 C GLN A 40 11.369 -5.011 6.787 1.00 0.00 C ATOM 640 O GLN A 40 10.896 -6.089 6.430 1.00 0.00 O ATOM 641 CB GLN A 40 13.315 -3.825 5.757 1.00 0.00 C ATOM 642 CG GLN A 40 14.039 -5.061 5.247 1.00 0.00 C ATOM 643 CD GLN A 40 15.530 -4.839 5.085 1.00 0.00 C ATOM 644 OE1 GLN A 40 16.319 -5.180 5.967 1.00 0.00 O ATOM 645 NE2 GLN A 40 15.924 -4.265 3.954 1.00 0.00 N ATOM 0 H GLN A 40 11.816 -1.893 6.087 1.00 0.00 H new ATOM 0 HA GLN A 40 11.461 -4.294 4.777 1.00 0.00 H new ATOM 0 HB2 GLN A 40 13.591 -2.971 5.138 1.00 0.00 H new ATOM 0 HB3 GLN A 40 13.655 -3.607 6.770 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.872 -5.887 5.939 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.613 -5.357 4.288 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.235 -3.999 3.250 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.915 -4.090 3.789 1.00 0.00 H new ATOM 654 N ASN A 41 11.542 -4.686 8.064 1.00 0.00 N ATOM 655 CA ASN A 41 11.179 -5.598 9.142 1.00 0.00 C ATOM 656 C ASN A 41 10.479 -4.852 10.274 1.00 0.00 C ATOM 657 O ASN A 41 10.551 -3.627 10.359 1.00 0.00 O ATOM 658 CB ASN A 41 12.424 -6.309 9.678 1.00 0.00 C ATOM 659 CG ASN A 41 13.655 -5.424 9.642 1.00 0.00 C ATOM 660 OD1 ASN A 41 13.656 -4.321 10.187 1.00 0.00 O ATOM 661 ND2 ASN A 41 14.711 -5.907 8.997 1.00 0.00 N ATOM 0 H ASN A 41 11.932 -3.797 8.378 1.00 0.00 H new ATOM 0 HA ASN A 41 10.490 -6.340 8.739 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.242 -6.632 10.703 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.608 -7.207 9.089 1.00 0.00 H new ATOM 0 HD21 ASN A 41 15.568 -5.358 8.939 1.00 0.00 H new ATOM 0 HD22 ASN A 41 14.665 -6.827 8.560 1.00 0.00 H new ATOM 755 N TYR A 48 11.802 1.401 3.817 1.00 0.00 N ATOM 756 CA TYR A 48 12.247 0.967 2.498 1.00 0.00 C ATOM 757 C TYR A 48 12.228 2.128 1.508 1.00 0.00 C ATOM 758 O TYR A 48 13.274 2.583 1.046 1.00 0.00 O ATOM 759 CB TYR A 48 11.361 -0.170 1.986 1.00 0.00 C ATOM 760 CG TYR A 48 11.674 -0.589 0.567 1.00 0.00 C ATOM 761 CD1 TYR A 48 12.665 -1.527 0.302 1.00 0.00 C ATOM 762 CD2 TYR A 48 10.980 -0.048 -0.508 1.00 0.00 C ATOM 763 CE1 TYR A 48 12.955 -1.913 -0.992 1.00 0.00 C ATOM 764 CE2 TYR A 48 11.262 -0.429 -1.805 1.00 0.00 C ATOM 765 CZ TYR A 48 12.251 -1.361 -2.043 1.00 0.00 C ATOM 766 OH TYR A 48 12.536 -1.743 -3.334 1.00 0.00 O ATOM 0 HA TYR A 48 13.272 0.607 2.588 1.00 0.00 H new ATOM 0 HB2 TYR A 48 11.474 -1.032 2.644 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.318 0.140 2.043 1.00 0.00 H new ATOM 0 HD1 TYR A 48 13.218 -1.961 1.122 1.00 0.00 H new ATOM 0 HD2 TYR A 48 10.206 0.683 -0.326 1.00 0.00 H new ATOM 0 HE1 TYR A 48 13.728 -2.643 -1.180 1.00 0.00 H new ATOM 0 HE2 TYR A 48 10.711 0.000 -2.629 1.00 0.00 H new ATOM 0 HH TYR A 48 11.950 -1.262 -3.955 1.00 0.00 H new ATOM 776 N LYS A 49 11.029 2.602 1.186 1.00 0.00 N ATOM 777 CA LYS A 49 10.870 3.711 0.253 1.00 0.00 C ATOM 778 C LYS A 49 9.576 4.471 0.526 1.00 0.00 C ATOM 779 O LYS A 49 8.522 3.868 0.725 1.00 0.00 O ATOM 780 CB LYS A 49 10.877 3.197 -1.188 1.00 0.00 C ATOM 781 CG LYS A 49 11.411 4.205 -2.191 1.00 0.00 C ATOM 782 CD LYS A 49 11.301 3.686 -3.615 1.00 0.00 C ATOM 783 CE LYS A 49 11.730 4.738 -4.627 1.00 0.00 C ATOM 784 NZ LYS A 49 11.070 4.540 -5.947 1.00 0.00 N ATOM 0 H LYS A 49 10.153 2.235 1.558 1.00 0.00 H new ATOM 0 HA LYS A 49 11.708 4.394 0.393 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.481 2.291 -1.239 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.862 2.919 -1.471 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.857 5.139 -2.099 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.453 4.429 -1.964 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.921 2.797 -3.728 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.273 3.385 -3.815 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.487 5.730 -4.245 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.812 4.701 -4.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.389 5.277 -6.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.322 3.604 -6.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.038 4.601 -5.832 1.00 0.00 H new ATOM 798 N GLU A 50 9.664 5.798 0.533 1.00 0.00 N ATOM 799 CA GLU A 50 8.498 6.638 0.781 1.00 0.00 C ATOM 800 C GLU A 50 7.733 6.904 -0.513 1.00 0.00 C ATOM 801 O GLU A 50 8.316 7.315 -1.517 1.00 0.00 O ATOM 802 CB GLU A 50 8.924 7.964 1.416 1.00 0.00 C ATOM 803 CG GLU A 50 7.790 8.697 2.112 1.00 0.00 C ATOM 804 CD GLU A 50 8.248 9.979 2.780 1.00 0.00 C ATOM 805 OE1 GLU A 50 8.767 10.866 2.071 1.00 0.00 O ATOM 806 OE2 GLU A 50 8.086 10.095 4.013 1.00 0.00 O ATOM 0 H GLU A 50 10.529 6.313 0.370 1.00 0.00 H new ATOM 0 HA GLU A 50 7.840 6.108 1.469 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.719 7.773 2.137 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.343 8.609 0.644 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.012 8.928 1.385 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.343 8.042 2.860 1.00 0.00 H new ATOM 813 N ILE A 51 6.427 6.665 -0.480 1.00 0.00 N ATOM 814 CA ILE A 51 5.582 6.879 -1.648 1.00 0.00 C ATOM 815 C ILE A 51 4.492 7.905 -1.359 1.00 0.00 C ATOM 816 O ILE A 51 3.541 7.646 -0.620 1.00 0.00 O ATOM 817 CB ILE A 51 4.926 5.567 -2.116 1.00 0.00 C ATOM 818 CG1 ILE A 51 5.997 4.535 -2.477 1.00 0.00 C ATOM 819 CG2 ILE A 51 4.011 5.826 -3.304 1.00 0.00 C ATOM 820 CD1 ILE A 51 5.527 3.104 -2.341 1.00 0.00 C ATOM 0 H ILE A 51 5.931 6.323 0.343 1.00 0.00 H new ATOM 0 HA ILE A 51 6.229 7.255 -2.440 1.00 0.00 H new ATOM 0 HB ILE A 51 4.325 5.168 -1.299 1.00 0.00 H new ATOM 0 HG12 ILE A 51 6.323 4.706 -3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.866 4.686 -1.837 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.555 4.889 -3.623 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.230 6.530 -3.015 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.592 6.245 -4.126 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.337 2.428 -2.613 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.228 2.916 -1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.677 2.936 -3.002 1.00 0.00 H new ATOM 832 N PRO A 52 4.629 9.099 -1.955 1.00 0.00 N ATOM 833 CA PRO A 52 3.664 10.187 -1.778 1.00 0.00 C ATOM 834 C PRO A 52 2.328 9.894 -2.453 1.00 0.00 C ATOM 835 O PRO A 52 2.285 9.485 -3.614 1.00 0.00 O ATOM 836 CB PRO A 52 4.349 11.382 -2.446 1.00 0.00 C ATOM 837 CG PRO A 52 5.274 10.777 -3.445 1.00 0.00 C ATOM 838 CD PRO A 52 5.737 9.477 -2.848 1.00 0.00 C ATOM 0 HA PRO A 52 3.422 10.349 -0.728 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.622 12.038 -2.925 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.892 11.985 -1.718 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.767 10.611 -4.396 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.118 11.437 -3.645 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.911 8.722 -3.615 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.672 9.596 -2.300 1.00 0.00 H new ATOM 846 N LEU A 53 1.241 10.105 -1.720 1.00 0.00 N ATOM 847 CA LEU A 53 -0.097 9.863 -2.249 1.00 0.00 C ATOM 848 C LEU A 53 -0.246 10.456 -3.646 1.00 0.00 C ATOM 849 O LEU A 53 -1.119 10.052 -4.413 1.00 0.00 O ATOM 850 CB LEU A 53 -1.152 10.459 -1.315 1.00 0.00 C ATOM 851 CG LEU A 53 -1.205 9.875 0.097 1.00 0.00 C ATOM 852 CD1 LEU A 53 -1.993 10.788 1.023 1.00 0.00 C ATOM 853 CD2 LEU A 53 -1.814 8.481 0.075 1.00 0.00 C ATOM 0 H LEU A 53 1.259 10.443 -0.758 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.245 8.785 -2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.975 11.532 -1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.131 10.331 -1.777 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.186 9.799 0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.020 10.356 2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.514 11.766 1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.010 10.897 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.844 8.081 1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.827 8.533 -0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.208 7.829 -0.555 1.00 0.00 H new ATOM 865 N SER A 54 0.615 11.415 -3.971 1.00 0.00 N ATOM 866 CA SER A 54 0.579 12.065 -5.276 1.00 0.00 C ATOM 867 C SER A 54 0.982 11.091 -6.379 1.00 0.00 C ATOM 868 O SER A 54 0.196 10.799 -7.280 1.00 0.00 O ATOM 869 CB SER A 54 1.507 13.281 -5.290 1.00 0.00 C ATOM 870 OG SER A 54 1.149 14.208 -4.279 1.00 0.00 O ATOM 0 H SER A 54 1.346 11.759 -3.349 1.00 0.00 H new ATOM 0 HA SER A 54 -0.443 12.395 -5.462 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.537 12.958 -5.143 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.461 13.766 -6.265 1.00 0.00 H new ATOM 0 HG SER A 54 1.758 14.975 -4.308 1.00 0.00 H new ATOM 876 N GLU A 55 2.212 10.593 -6.300 1.00 0.00 N ATOM 877 CA GLU A 55 2.720 9.653 -7.293 1.00 0.00 C ATOM 878 C GLU A 55 1.606 8.738 -7.795 1.00 0.00 C ATOM 879 O GLU A 55 1.344 8.664 -8.996 1.00 0.00 O ATOM 880 CB GLU A 55 3.854 8.815 -6.700 1.00 0.00 C ATOM 881 CG GLU A 55 5.229 9.438 -6.879 1.00 0.00 C ATOM 882 CD GLU A 55 5.521 9.801 -8.322 1.00 0.00 C ATOM 883 OE1 GLU A 55 5.260 8.962 -9.209 1.00 0.00 O ATOM 884 OE2 GLU A 55 6.010 10.924 -8.564 1.00 0.00 O ATOM 0 H GLU A 55 2.875 10.824 -5.560 1.00 0.00 H new ATOM 0 HA GLU A 55 3.104 10.227 -8.137 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.667 8.667 -5.636 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.848 7.829 -7.165 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.302 10.333 -6.261 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.988 8.742 -6.522 1.00 0.00 H new ATOM 891 N ILE A 56 0.956 8.043 -6.868 1.00 0.00 N ATOM 892 CA ILE A 56 -0.129 7.134 -7.216 1.00 0.00 C ATOM 893 C ILE A 56 -1.183 7.836 -8.066 1.00 0.00 C ATOM 894 O ILE A 56 -2.089 8.485 -7.542 1.00 0.00 O ATOM 895 CB ILE A 56 -0.803 6.554 -5.959 1.00 0.00 C ATOM 896 CG1 ILE A 56 0.239 5.892 -5.055 1.00 0.00 C ATOM 897 CG2 ILE A 56 -1.884 5.558 -6.350 1.00 0.00 C ATOM 898 CD1 ILE A 56 -0.125 5.928 -3.587 1.00 0.00 C ATOM 0 H ILE A 56 1.162 8.092 -5.870 1.00 0.00 H new ATOM 0 HA ILE A 56 0.314 6.320 -7.789 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.271 7.369 -5.406 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.369 4.855 -5.363 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.199 6.389 -5.195 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.351 5.157 -5.451 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.637 6.059 -6.958 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.439 4.744 -6.922 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.658 5.441 -3.006 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.227 6.964 -3.263 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.069 5.405 -3.433 1.00 0.00 H new ATOM 910 N LEU A 57 -1.060 7.700 -9.382 1.00 0.00 N ATOM 911 CA LEU A 57 -2.003 8.320 -10.307 1.00 0.00 C ATOM 912 C LEU A 57 -3.367 7.643 -10.228 1.00 0.00 C ATOM 913 O LEU A 57 -4.396 8.309 -10.107 1.00 0.00 O ATOM 914 CB LEU A 57 -1.467 8.247 -11.738 1.00 0.00 C ATOM 915 CG LEU A 57 -0.064 8.813 -11.959 1.00 0.00 C ATOM 916 CD1 LEU A 57 0.489 8.362 -13.302 1.00 0.00 C ATOM 917 CD2 LEU A 57 -0.082 10.333 -11.871 1.00 0.00 C ATOM 0 H LEU A 57 -0.317 7.166 -9.833 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.119 9.366 -10.022 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.470 7.203 -12.053 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.159 8.779 -12.391 1.00 0.00 H new ATOM 0 HG LEU A 57 0.588 8.431 -11.174 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.488 8.775 -13.441 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.539 7.273 -13.328 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.164 8.714 -14.101 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.925 10.719 -12.031 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.749 10.734 -12.634 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.434 10.636 -10.885 1.00 0.00 H new ATOM 929 N ARG A 58 -3.368 6.316 -10.293 1.00 0.00 N ATOM 930 CA ARG A 58 -4.606 5.548 -10.228 1.00 0.00 C ATOM 931 C ARG A 58 -4.315 4.054 -10.127 1.00 0.00 C ATOM 932 O ARG A 58 -3.157 3.641 -10.058 1.00 0.00 O ATOM 933 CB ARG A 58 -5.471 5.829 -11.459 1.00 0.00 C ATOM 934 CG ARG A 58 -4.786 5.492 -12.773 1.00 0.00 C ATOM 935 CD ARG A 58 -5.792 5.075 -13.835 1.00 0.00 C ATOM 936 NE ARG A 58 -5.149 4.417 -14.969 1.00 0.00 N ATOM 937 CZ ARG A 58 -5.813 3.955 -16.023 1.00 0.00 C ATOM 938 NH1 ARG A 58 -7.132 4.079 -16.087 1.00 0.00 N ATOM 939 NH2 ARG A 58 -5.158 3.368 -17.016 1.00 0.00 N ATOM 0 H ARG A 58 -2.525 5.750 -10.391 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.148 5.856 -9.334 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.395 5.255 -11.383 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.750 6.883 -11.464 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.223 6.357 -13.123 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.068 4.687 -12.614 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.527 4.401 -13.394 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.335 5.953 -14.185 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.135 4.306 -14.951 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.639 4.530 -15.326 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.639 3.723 -16.897 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.144 3.271 -16.971 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.669 3.014 -17.825 1.00 0.00 H new ATOM 953 N ILE A 59 -5.373 3.250 -10.119 1.00 0.00 N ATOM 954 CA ILE A 59 -5.230 1.802 -10.028 1.00 0.00 C ATOM 955 C ILE A 59 -5.248 1.159 -11.410 1.00 0.00 C ATOM 956 O ILE A 59 -5.899 1.656 -12.329 1.00 0.00 O ATOM 957 CB ILE A 59 -6.348 1.179 -9.170 1.00 0.00 C ATOM 958 CG1 ILE A 59 -6.210 1.624 -7.713 1.00 0.00 C ATOM 959 CG2 ILE A 59 -6.311 -0.338 -9.273 1.00 0.00 C ATOM 960 CD1 ILE A 59 -4.883 1.250 -7.090 1.00 0.00 C ATOM 0 H ILE A 59 -6.338 3.576 -10.174 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.268 1.610 -9.553 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.311 1.525 -9.546 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.336 2.705 -7.658 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.015 1.179 -7.128 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.107 -0.764 -8.662 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.453 -0.636 -10.312 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.347 -0.703 -8.919 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.855 1.597 -6.057 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.763 0.167 -7.112 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.073 1.717 -7.651 1.00 0.00 H new ATOM 972 N SER A 60 -4.529 0.050 -11.551 1.00 0.00 N ATOM 973 CA SER A 60 -4.460 -0.661 -12.822 1.00 0.00 C ATOM 974 C SER A 60 -5.799 -1.312 -13.154 1.00 0.00 C ATOM 975 O SER A 60 -6.728 -1.292 -12.346 1.00 0.00 O ATOM 976 CB SER A 60 -3.360 -1.723 -12.777 1.00 0.00 C ATOM 977 OG SER A 60 -3.342 -2.489 -13.970 1.00 0.00 O ATOM 0 H SER A 60 -3.986 -0.376 -10.800 1.00 0.00 H new ATOM 0 HA SER A 60 -4.225 0.062 -13.603 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.392 -1.243 -12.635 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.519 -2.380 -11.922 1.00 0.00 H new ATOM 0 HG SER A 60 -2.425 -2.778 -14.159 1.00 0.00 H new ATOM 1185 N HIS A 75 -2.287 -11.205 -7.040 1.00 0.00 N ATOM 1186 CA HIS A 75 -2.576 -9.820 -6.686 1.00 0.00 C ATOM 1187 C HIS A 75 -4.034 -9.477 -6.980 1.00 0.00 C ATOM 1188 O HIS A 75 -4.707 -10.182 -7.732 1.00 0.00 O ATOM 1189 CB HIS A 75 -1.653 -8.872 -7.451 1.00 0.00 C ATOM 1190 CG HIS A 75 -1.907 -8.850 -8.927 1.00 0.00 C ATOM 1191 ND1 HIS A 75 -1.599 -9.904 -9.760 1.00 0.00 N ATOM 1192 CD2 HIS A 75 -2.446 -7.893 -9.718 1.00 0.00 C ATOM 1193 CE1 HIS A 75 -1.935 -9.597 -11.000 1.00 0.00 C ATOM 1194 NE2 HIS A 75 -2.452 -8.381 -11.002 1.00 0.00 N ATOM 0 HA HIS A 75 -2.401 -9.700 -5.617 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -1.773 -7.864 -7.055 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -0.618 -9.164 -7.273 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.805 -6.926 -9.399 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -1.809 -10.232 -11.865 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -2.799 -7.885 -11.823 1.00 0.00 H new ATOM 1203 N CYS A 76 -4.514 -8.392 -6.382 1.00 0.00 N ATOM 1204 CA CYS A 76 -5.892 -7.957 -6.578 1.00 0.00 C ATOM 1205 C CYS A 76 -5.939 -6.546 -7.155 1.00 0.00 C ATOM 1206 O CYS A 76 -6.950 -6.130 -7.722 1.00 0.00 O ATOM 1207 CB CYS A 76 -6.658 -8.007 -5.256 1.00 0.00 C ATOM 1208 SG CYS A 76 -6.559 -6.483 -4.288 1.00 0.00 S ATOM 0 H CYS A 76 -3.969 -7.798 -5.757 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.364 -8.636 -7.288 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.706 -8.226 -5.463 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.273 -8.832 -4.656 1.00 0.00 H new ATOM 0 HG CYS A 76 -5.691 -5.681 -4.829 1.00 0.00 H new ATOM 1214 N PHE A 77 -4.841 -5.814 -7.005 1.00 0.00 N ATOM 1215 CA PHE A 77 -4.758 -4.448 -7.508 1.00 0.00 C ATOM 1216 C PHE A 77 -3.313 -4.071 -7.822 1.00 0.00 C ATOM 1217 O PHE A 77 -2.386 -4.823 -7.525 1.00 0.00 O ATOM 1218 CB PHE A 77 -5.342 -3.469 -6.487 1.00 0.00 C ATOM 1219 CG PHE A 77 -4.479 -3.284 -5.272 1.00 0.00 C ATOM 1220 CD1 PHE A 77 -4.038 -4.379 -4.546 1.00 0.00 C ATOM 1221 CD2 PHE A 77 -4.108 -2.015 -4.856 1.00 0.00 C ATOM 1222 CE1 PHE A 77 -3.244 -4.212 -3.427 1.00 0.00 C ATOM 1223 CE2 PHE A 77 -3.314 -1.843 -3.738 1.00 0.00 C ATOM 1224 CZ PHE A 77 -2.882 -2.942 -3.023 1.00 0.00 C ATOM 0 H PHE A 77 -3.996 -6.144 -6.539 1.00 0.00 H new ATOM 0 HA PHE A 77 -5.338 -4.391 -8.429 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.491 -2.502 -6.967 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.324 -3.825 -6.175 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.318 -5.374 -4.858 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.443 -1.151 -5.411 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -2.907 -5.073 -2.869 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -3.032 -0.849 -3.424 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.262 -2.809 -2.149 1.00 0.00 H new ATOM 1234 N GLU A 78 -3.131 -2.900 -8.425 1.00 0.00 N ATOM 1235 CA GLU A 78 -1.800 -2.423 -8.780 1.00 0.00 C ATOM 1236 C GLU A 78 -1.678 -0.921 -8.543 1.00 0.00 C ATOM 1237 O GLU A 78 -2.624 -0.167 -8.774 1.00 0.00 O ATOM 1238 CB GLU A 78 -1.492 -2.747 -10.244 1.00 0.00 C ATOM 1239 CG GLU A 78 -2.061 -4.078 -10.706 1.00 0.00 C ATOM 1240 CD GLU A 78 -2.072 -4.215 -12.216 1.00 0.00 C ATOM 1241 OE1 GLU A 78 -1.353 -3.444 -12.886 1.00 0.00 O ATOM 1242 OE2 GLU A 78 -2.799 -5.092 -12.727 1.00 0.00 O ATOM 0 H GLU A 78 -3.888 -2.265 -8.678 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.078 -2.933 -8.143 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.891 -1.953 -10.875 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.411 -2.755 -10.386 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.474 -4.889 -10.276 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.078 -4.185 -10.328 1.00 0.00 H new ATOM 1249 N ILE A 79 -0.508 -0.493 -8.082 1.00 0.00 N ATOM 1250 CA ILE A 79 -0.262 0.919 -7.814 1.00 0.00 C ATOM 1251 C ILE A 79 0.592 1.545 -8.911 1.00 0.00 C ATOM 1252 O ILE A 79 1.813 1.382 -8.929 1.00 0.00 O ATOM 1253 CB ILE A 79 0.435 1.121 -6.456 1.00 0.00 C ATOM 1254 CG1 ILE A 79 -0.351 0.422 -5.345 1.00 0.00 C ATOM 1255 CG2 ILE A 79 0.584 2.605 -6.154 1.00 0.00 C ATOM 1256 CD1 ILE A 79 0.325 0.486 -3.994 1.00 0.00 C ATOM 0 H ILE A 79 0.285 -1.104 -7.886 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.235 1.411 -7.789 1.00 0.00 H new ATOM 0 HB ILE A 79 1.430 0.678 -6.505 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.339 0.876 -5.270 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.500 -0.623 -5.618 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.078 2.732 -5.191 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.182 3.077 -6.934 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.401 3.070 -6.121 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.289 -0.030 -3.255 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.302 0.006 -4.053 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.450 1.528 -3.699 1.00 0.00 H new ATOM 1268 N ILE A 80 -0.056 2.263 -9.821 1.00 0.00 N ATOM 1269 CA ILE A 80 0.645 2.917 -10.919 1.00 0.00 C ATOM 1270 C ILE A 80 1.098 4.319 -10.525 1.00 0.00 C ATOM 1271 O ILE A 80 0.279 5.222 -10.348 1.00 0.00 O ATOM 1272 CB ILE A 80 -0.240 3.010 -12.176 1.00 0.00 C ATOM 1273 CG1 ILE A 80 -0.697 1.616 -12.609 1.00 0.00 C ATOM 1274 CG2 ILE A 80 0.513 3.700 -13.304 1.00 0.00 C ATOM 1275 CD1 ILE A 80 -1.956 1.150 -11.912 1.00 0.00 C ATOM 0 H ILE A 80 -1.066 2.407 -9.820 1.00 0.00 H new ATOM 0 HA ILE A 80 1.519 2.305 -11.144 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.123 3.604 -11.938 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.866 1.616 -13.686 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.103 0.903 -12.412 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.126 3.758 -14.185 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.794 4.706 -12.992 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.411 3.131 -13.544 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.222 0.154 -12.268 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.785 1.117 -10.836 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.770 1.842 -12.130 1.00 0.00 H new ATOM 1287 N THR A 81 2.409 4.495 -10.390 1.00 0.00 N ATOM 1288 CA THR A 81 2.972 5.787 -10.018 1.00 0.00 C ATOM 1289 C THR A 81 3.459 6.549 -11.245 1.00 0.00 C ATOM 1290 O THR A 81 3.406 6.040 -12.365 1.00 0.00 O ATOM 1291 CB THR A 81 4.142 5.626 -9.030 1.00 0.00 C ATOM 1292 OG1 THR A 81 5.104 4.704 -9.555 1.00 0.00 O ATOM 1293 CG2 THR A 81 3.646 5.133 -7.679 1.00 0.00 C ATOM 0 H THR A 81 3.101 3.759 -10.533 1.00 0.00 H new ATOM 0 HA THR A 81 2.174 6.352 -9.536 1.00 0.00 H new ATOM 0 HB THR A 81 4.610 6.601 -8.894 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.724 3.801 -9.558 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.490 5.027 -6.998 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.936 5.851 -7.268 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.155 4.167 -7.802 1.00 0.00 H new ATOM 1301 N ASP A 82 3.934 7.770 -11.027 1.00 0.00 N ATOM 1302 CA ASP A 82 4.433 8.602 -12.116 1.00 0.00 C ATOM 1303 C ASP A 82 5.808 8.128 -12.576 1.00 0.00 C ATOM 1304 O ASP A 82 6.447 8.761 -13.417 1.00 0.00 O ATOM 1305 CB ASP A 82 4.505 10.065 -11.677 1.00 0.00 C ATOM 1306 CG ASP A 82 4.298 11.026 -12.831 1.00 0.00 C ATOM 1307 OD1 ASP A 82 3.171 11.076 -13.367 1.00 0.00 O ATOM 1308 OD2 ASP A 82 5.263 11.729 -13.199 1.00 0.00 O ATOM 0 H ASP A 82 3.984 8.206 -10.106 1.00 0.00 H new ATOM 0 HA ASP A 82 3.740 8.516 -12.953 1.00 0.00 H new ATOM 0 HB2 ASP A 82 3.749 10.250 -10.914 1.00 0.00 H new ATOM 0 HB3 ASP A 82 5.475 10.256 -11.218 1.00 0.00 H new ATOM 1313 N THR A 83 6.260 7.009 -12.017 1.00 0.00 N ATOM 1314 CA THR A 83 7.560 6.451 -12.368 1.00 0.00 C ATOM 1315 C THR A 83 7.422 5.032 -12.907 1.00 0.00 C ATOM 1316 O THR A 83 7.578 4.795 -14.105 1.00 0.00 O ATOM 1317 CB THR A 83 8.511 6.437 -11.156 1.00 0.00 C ATOM 1318 OG1 THR A 83 7.847 5.875 -10.019 1.00 0.00 O ATOM 1319 CG2 THR A 83 8.989 7.843 -10.826 1.00 0.00 C ATOM 0 H THR A 83 5.745 6.472 -11.320 1.00 0.00 H new ATOM 0 HA THR A 83 7.980 7.092 -13.143 1.00 0.00 H new ATOM 0 HB THR A 83 9.377 5.826 -11.410 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.459 5.868 -9.253 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.659 7.807 -9.967 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.520 8.257 -11.683 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.131 8.473 -10.591 1.00 0.00 H new ATOM 1327 N MET A 84 7.128 4.091 -12.016 1.00 0.00 N ATOM 1328 CA MET A 84 6.967 2.695 -12.405 1.00 0.00 C ATOM 1329 C MET A 84 5.676 2.117 -11.833 1.00 0.00 C ATOM 1330 O MET A 84 5.141 2.623 -10.846 1.00 0.00 O ATOM 1331 CB MET A 84 8.164 1.869 -11.929 1.00 0.00 C ATOM 1332 CG MET A 84 7.913 0.370 -11.943 1.00 0.00 C ATOM 1333 SD MET A 84 9.433 -0.590 -11.816 1.00 0.00 S ATOM 1334 CE MET A 84 9.182 -1.796 -13.116 1.00 0.00 C ATOM 0 H MET A 84 6.996 4.270 -11.020 1.00 0.00 H new ATOM 0 HA MET A 84 6.914 2.651 -13.493 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.023 2.091 -12.562 1.00 0.00 H new ATOM 0 HB3 MET A 84 8.427 2.176 -10.917 1.00 0.00 H new ATOM 0 HG2 MET A 84 7.253 0.108 -11.116 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.394 0.101 -12.863 1.00 0.00 H new ATOM 0 HE1 MET A 84 9.707 -2.717 -12.864 1.00 0.00 H new ATOM 0 HE2 MET A 84 8.117 -2.002 -13.220 1.00 0.00 H new ATOM 0 HE3 MET A 84 9.569 -1.403 -14.056 1.00 0.00 H new ATOM 1344 N VAL A 85 5.181 1.054 -12.459 1.00 0.00 N ATOM 1345 CA VAL A 85 3.953 0.407 -12.012 1.00 0.00 C ATOM 1346 C VAL A 85 4.251 -0.710 -11.017 1.00 0.00 C ATOM 1347 O VAL A 85 5.231 -1.441 -11.164 1.00 0.00 O ATOM 1348 CB VAL A 85 3.161 -0.175 -13.197 1.00 0.00 C ATOM 1349 CG1 VAL A 85 1.896 -0.863 -12.708 1.00 0.00 C ATOM 1350 CG2 VAL A 85 2.829 0.917 -14.203 1.00 0.00 C ATOM 0 H VAL A 85 5.611 0.623 -13.277 1.00 0.00 H new ATOM 0 HA VAL A 85 3.351 1.174 -11.524 1.00 0.00 H new ATOM 0 HB VAL A 85 3.781 -0.920 -13.695 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.350 -1.268 -13.560 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.162 -1.673 -12.029 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.269 -0.142 -12.184 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.269 0.488 -15.034 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.228 1.687 -13.719 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.752 1.360 -14.577 1.00 0.00 H new ATOM 1360 N TYR A 86 3.400 -0.836 -10.005 1.00 0.00 N ATOM 1361 CA TYR A 86 3.573 -1.863 -8.985 1.00 0.00 C ATOM 1362 C TYR A 86 2.309 -2.704 -8.839 1.00 0.00 C ATOM 1363 O TYR A 86 1.194 -2.205 -8.996 1.00 0.00 O ATOM 1364 CB TYR A 86 3.930 -1.222 -7.642 1.00 0.00 C ATOM 1365 CG TYR A 86 5.101 -0.269 -7.719 1.00 0.00 C ATOM 1366 CD1 TYR A 86 6.329 -0.686 -8.219 1.00 0.00 C ATOM 1367 CD2 TYR A 86 4.981 1.047 -7.290 1.00 0.00 C ATOM 1368 CE1 TYR A 86 7.403 0.181 -8.290 1.00 0.00 C ATOM 1369 CE2 TYR A 86 6.049 1.921 -7.359 1.00 0.00 C ATOM 1370 CZ TYR A 86 7.258 1.483 -7.859 1.00 0.00 C ATOM 1371 OH TYR A 86 8.324 2.350 -7.928 1.00 0.00 O ATOM 0 H TYR A 86 2.584 -0.240 -9.869 1.00 0.00 H new ATOM 0 HA TYR A 86 4.388 -2.516 -9.297 1.00 0.00 H new ATOM 0 HB2 TYR A 86 3.060 -0.686 -7.262 1.00 0.00 H new ATOM 0 HB3 TYR A 86 4.159 -2.008 -6.923 1.00 0.00 H new ATOM 0 HD1 TYR A 86 6.446 -1.705 -8.558 1.00 0.00 H new ATOM 0 HD2 TYR A 86 4.037 1.393 -6.896 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.351 -0.159 -8.681 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.938 2.941 -7.023 1.00 0.00 H new ATOM 0 HH TYR A 86 8.054 3.228 -7.586 1.00 0.00 H new ATOM 1381 N PHE A 87 2.491 -3.985 -8.536 1.00 0.00 N ATOM 1382 CA PHE A 87 1.366 -4.899 -8.369 1.00 0.00 C ATOM 1383 C PHE A 87 1.322 -5.453 -6.948 1.00 0.00 C ATOM 1384 O PHE A 87 2.201 -6.211 -6.538 1.00 0.00 O ATOM 1385 CB PHE A 87 1.461 -6.048 -9.374 1.00 0.00 C ATOM 1386 CG PHE A 87 1.453 -5.594 -10.806 1.00 0.00 C ATOM 1387 CD1 PHE A 87 2.529 -4.898 -11.332 1.00 0.00 C ATOM 1388 CD2 PHE A 87 0.370 -5.865 -11.626 1.00 0.00 C ATOM 1389 CE1 PHE A 87 2.524 -4.478 -12.649 1.00 0.00 C ATOM 1390 CE2 PHE A 87 0.360 -5.449 -12.945 1.00 0.00 C ATOM 1391 CZ PHE A 87 1.439 -4.755 -13.456 1.00 0.00 C ATOM 0 H PHE A 87 3.406 -4.414 -8.401 1.00 0.00 H new ATOM 0 HA PHE A 87 0.447 -4.342 -8.551 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.375 -6.611 -9.185 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.627 -6.731 -9.213 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.382 -4.681 -10.706 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.476 -6.407 -11.231 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.368 -3.934 -13.046 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.490 -5.667 -13.574 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.434 -4.429 -14.486 1.00 0.00 H new ATOM 1401 N VAL A 88 0.293 -5.068 -6.200 1.00 0.00 N ATOM 1402 CA VAL A 88 0.133 -5.526 -4.826 1.00 0.00 C ATOM 1403 C VAL A 88 -1.090 -6.426 -4.685 1.00 0.00 C ATOM 1404 O VAL A 88 -2.012 -6.370 -5.498 1.00 0.00 O ATOM 1405 CB VAL A 88 0.000 -4.341 -3.851 1.00 0.00 C ATOM 1406 CG1 VAL A 88 0.099 -4.820 -2.411 1.00 0.00 C ATOM 1407 CG2 VAL A 88 1.057 -3.288 -4.146 1.00 0.00 C ATOM 0 H VAL A 88 -0.443 -4.440 -6.523 1.00 0.00 H new ATOM 0 HA VAL A 88 1.029 -6.094 -4.576 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.981 -3.887 -3.990 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.003 -3.969 -1.737 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.699 -5.534 -2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.064 -5.301 -2.253 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.948 -2.458 -3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.049 -3.727 -4.036 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.933 -2.923 -5.166 1.00 0.00 H new ATOM 1417 N GLY A 89 -1.092 -7.255 -3.645 1.00 0.00 N ATOM 1418 CA GLY A 89 -2.207 -8.155 -3.416 1.00 0.00 C ATOM 1419 C GLY A 89 -1.757 -9.542 -3.003 1.00 0.00 C ATOM 1420 O GLY A 89 -0.930 -10.158 -3.675 1.00 0.00 O ATOM 0 H GLY A 89 -0.341 -7.319 -2.957 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.852 -7.740 -2.641 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.805 -8.226 -4.324 1.00 0.00 H new ATOM 1424 N GLU A 90 -2.302 -10.035 -1.895 1.00 0.00 N ATOM 1425 CA GLU A 90 -1.949 -11.358 -1.394 1.00 0.00 C ATOM 1426 C GLU A 90 -3.200 -12.180 -1.099 1.00 0.00 C ATOM 1427 O GLU A 90 -3.979 -11.846 -0.208 1.00 0.00 O ATOM 1428 CB GLU A 90 -1.096 -11.237 -0.129 1.00 0.00 C ATOM 1429 CG GLU A 90 -0.824 -12.568 0.551 1.00 0.00 C ATOM 1430 CD GLU A 90 0.421 -12.537 1.417 1.00 0.00 C ATOM 1431 OE1 GLU A 90 0.711 -11.471 2.000 1.00 0.00 O ATOM 1432 OE2 GLU A 90 1.105 -13.578 1.511 1.00 0.00 O ATOM 0 H GLU A 90 -2.989 -9.538 -1.328 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.373 -11.869 -2.166 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.146 -10.769 -0.385 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.598 -10.574 0.576 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.682 -12.840 1.165 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.716 -13.344 -0.207 1.00 0.00 H new ATOM 1439 N ASN A 91 -3.385 -13.256 -1.857 1.00 0.00 N ATOM 1440 CA ASN A 91 -4.542 -14.126 -1.679 1.00 0.00 C ATOM 1441 C ASN A 91 -4.106 -15.565 -1.420 1.00 0.00 C ATOM 1442 O ASN A 91 -3.128 -16.040 -1.994 1.00 0.00 O ATOM 1443 CB ASN A 91 -5.445 -14.068 -2.913 1.00 0.00 C ATOM 1444 CG ASN A 91 -6.809 -14.680 -2.661 1.00 0.00 C ATOM 1445 OD1 ASN A 91 -7.143 -15.729 -3.211 1.00 0.00 O ATOM 1446 ND2 ASN A 91 -7.606 -14.025 -1.824 1.00 0.00 N ATOM 0 H ASN A 91 -2.749 -13.546 -2.600 1.00 0.00 H new ATOM 0 HA ASN A 91 -5.101 -13.773 -0.812 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.567 -13.030 -3.222 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -4.962 -14.591 -3.738 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.536 -14.389 -1.615 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.288 -13.158 -1.390 1.00 0.00 H new ATOM 1646 N GLY A 107 -4.967 -12.234 2.367 1.00 0.00 N ATOM 1647 CA GLY A 107 -6.365 -12.366 2.001 1.00 0.00 C ATOM 1648 C GLY A 107 -6.815 -11.289 1.033 1.00 0.00 C ATOM 1649 O GLY A 107 -6.192 -10.231 0.937 1.00 0.00 O ATOM 0 HA2 GLY A 107 -6.529 -13.346 1.552 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -6.979 -12.321 2.901 1.00 0.00 H new ATOM 1653 N LEU A 108 -7.898 -11.558 0.313 1.00 0.00 N ATOM 1654 CA LEU A 108 -8.430 -10.605 -0.654 1.00 0.00 C ATOM 1655 C LEU A 108 -9.155 -9.462 0.050 1.00 0.00 C ATOM 1656 O LEU A 108 -8.791 -8.296 -0.102 1.00 0.00 O ATOM 1657 CB LEU A 108 -9.383 -11.308 -1.622 1.00 0.00 C ATOM 1658 CG LEU A 108 -10.144 -10.403 -2.592 1.00 0.00 C ATOM 1659 CD1 LEU A 108 -9.197 -9.815 -3.627 1.00 0.00 C ATOM 1660 CD2 LEU A 108 -11.268 -11.173 -3.270 1.00 0.00 C ATOM 0 H LEU A 108 -8.425 -12.429 0.381 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.593 -10.190 -1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -8.810 -12.030 -2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.109 -11.873 -1.038 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.584 -9.583 -2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.756 -9.174 -4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -8.428 -9.228 -3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.727 -10.621 -4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.799 -10.513 -3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.850 -12.014 -3.824 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.961 -11.545 -2.515 1.00 0.00 H new ATOM 1672 N ASP A 109 -10.180 -9.805 0.822 1.00 0.00 N ATOM 1673 CA ASP A 109 -10.954 -8.808 1.553 1.00 0.00 C ATOM 1674 C ASP A 109 -10.053 -7.687 2.061 1.00 0.00 C ATOM 1675 O ASP A 109 -10.249 -6.519 1.724 1.00 0.00 O ATOM 1676 CB ASP A 109 -11.687 -9.461 2.726 1.00 0.00 C ATOM 1677 CG ASP A 109 -12.673 -10.521 2.275 1.00 0.00 C ATOM 1678 OD1 ASP A 109 -13.140 -10.443 1.119 1.00 0.00 O ATOM 1679 OD2 ASP A 109 -12.977 -11.428 3.078 1.00 0.00 O ATOM 0 H ASP A 109 -10.494 -10.766 0.958 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.687 -8.379 0.870 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -10.959 -9.910 3.401 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -12.216 -8.694 3.292 1.00 0.00 H new ATOM 1684 N VAL A 110 -9.066 -8.049 2.874 1.00 0.00 N ATOM 1685 CA VAL A 110 -8.135 -7.073 3.429 1.00 0.00 C ATOM 1686 C VAL A 110 -7.486 -6.245 2.326 1.00 0.00 C ATOM 1687 O VAL A 110 -7.194 -5.064 2.513 1.00 0.00 O ATOM 1688 CB VAL A 110 -7.033 -7.758 4.258 1.00 0.00 C ATOM 1689 CG1 VAL A 110 -6.210 -8.693 3.384 1.00 0.00 C ATOM 1690 CG2 VAL A 110 -6.145 -6.718 4.924 1.00 0.00 C ATOM 0 H VAL A 110 -8.890 -9.011 3.163 1.00 0.00 H new ATOM 0 HA VAL A 110 -8.713 -6.417 4.079 1.00 0.00 H new ATOM 0 HB VAL A 110 -7.506 -8.353 5.039 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -5.436 -9.168 3.987 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.859 -9.458 2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.744 -8.123 2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -5.371 -7.219 5.506 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.679 -6.095 4.161 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -6.748 -6.093 5.583 1.00 0.00 H new ATOM 1700 N ALA A 111 -7.264 -6.872 1.175 1.00 0.00 N ATOM 1701 CA ALA A 111 -6.651 -6.191 0.041 1.00 0.00 C ATOM 1702 C ALA A 111 -7.526 -5.042 -0.447 1.00 0.00 C ATOM 1703 O ALA A 111 -7.050 -3.921 -0.628 1.00 0.00 O ATOM 1704 CB ALA A 111 -6.393 -7.177 -1.089 1.00 0.00 C ATOM 0 H ALA A 111 -7.499 -7.850 1.004 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.699 -5.774 0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.935 -6.655 -1.930 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.722 -7.962 -0.740 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.336 -7.620 -1.408 1.00 0.00 H new ATOM 1710 N GLN A 112 -8.807 -5.327 -0.660 1.00 0.00 N ATOM 1711 CA GLN A 112 -9.747 -4.316 -1.129 1.00 0.00 C ATOM 1712 C GLN A 112 -9.671 -3.061 -0.266 1.00 0.00 C ATOM 1713 O GLN A 112 -9.688 -1.942 -0.778 1.00 0.00 O ATOM 1714 CB GLN A 112 -11.172 -4.871 -1.119 1.00 0.00 C ATOM 1715 CG GLN A 112 -11.365 -6.068 -2.036 1.00 0.00 C ATOM 1716 CD GLN A 112 -12.789 -6.588 -2.025 1.00 0.00 C ATOM 1717 OE1 GLN A 112 -13.691 -5.950 -1.480 1.00 0.00 O ATOM 1718 NE2 GLN A 112 -12.999 -7.752 -2.628 1.00 0.00 N ATOM 0 H GLN A 112 -9.217 -6.250 -0.515 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.476 -4.049 -2.151 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.434 -5.158 -0.101 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -11.863 -4.082 -1.416 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -11.092 -5.789 -3.054 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -10.688 -6.867 -1.732 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.222 -8.246 -3.067 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -13.937 -8.152 -2.652 1.00 0.00 H new ATOM 1727 N SER A 113 -9.589 -3.255 1.046 1.00 0.00 N ATOM 1728 CA SER A 113 -9.515 -2.138 1.981 1.00 0.00 C ATOM 1729 C SER A 113 -8.306 -1.257 1.680 1.00 0.00 C ATOM 1730 O SER A 113 -8.336 -0.047 1.902 1.00 0.00 O ATOM 1731 CB SER A 113 -9.440 -2.653 3.419 1.00 0.00 C ATOM 1732 OG SER A 113 -10.688 -3.178 3.839 1.00 0.00 O ATOM 0 H SER A 113 -9.572 -4.175 1.486 1.00 0.00 H new ATOM 0 HA SER A 113 -10.418 -1.538 1.865 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.674 -3.425 3.493 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.141 -1.843 4.084 1.00 0.00 H new ATOM 0 HG SER A 113 -10.613 -3.502 4.761 1.00 0.00 H new ATOM 1738 N TRP A 114 -7.244 -1.874 1.176 1.00 0.00 N ATOM 1739 CA TRP A 114 -6.023 -1.147 0.845 1.00 0.00 C ATOM 1740 C TRP A 114 -6.210 -0.319 -0.422 1.00 0.00 C ATOM 1741 O TRP A 114 -5.990 0.891 -0.420 1.00 0.00 O ATOM 1742 CB TRP A 114 -4.858 -2.121 0.665 1.00 0.00 C ATOM 1743 CG TRP A 114 -4.169 -2.467 1.951 1.00 0.00 C ATOM 1744 CD1 TRP A 114 -4.343 -3.598 2.695 1.00 0.00 C ATOM 1745 CD2 TRP A 114 -3.199 -1.674 2.643 1.00 0.00 C ATOM 1746 NE1 TRP A 114 -3.539 -3.556 3.809 1.00 0.00 N ATOM 1747 CE2 TRP A 114 -2.827 -2.386 3.800 1.00 0.00 C ATOM 1748 CE3 TRP A 114 -2.606 -0.432 2.398 1.00 0.00 C ATOM 1749 CZ2 TRP A 114 -1.891 -1.896 4.707 1.00 0.00 C ATOM 1750 CZ3 TRP A 114 -1.678 0.053 3.299 1.00 0.00 C ATOM 1751 CH2 TRP A 114 -1.327 -0.678 4.441 1.00 0.00 C ATOM 0 H TRP A 114 -7.203 -2.876 0.987 1.00 0.00 H new ATOM 0 HA TRP A 114 -5.797 -0.470 1.669 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -5.227 -3.036 0.201 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -4.132 -1.685 -0.022 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -5.014 -4.407 2.445 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.482 -4.279 4.526 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -2.869 0.138 1.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -1.620 -2.457 5.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -1.215 1.012 3.120 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -0.597 -0.272 5.125 1.00 0.00 H new ATOM 1762 N GLU A 115 -6.615 -0.980 -1.502 1.00 0.00 N ATOM 1763 CA GLU A 115 -6.830 -0.303 -2.775 1.00 0.00 C ATOM 1764 C GLU A 115 -7.770 0.887 -2.607 1.00 0.00 C ATOM 1765 O GLU A 115 -7.439 2.013 -2.980 1.00 0.00 O ATOM 1766 CB GLU A 115 -7.403 -1.278 -3.806 1.00 0.00 C ATOM 1767 CG GLU A 115 -7.834 -0.610 -5.101 1.00 0.00 C ATOM 1768 CD GLU A 115 -8.854 -1.429 -5.869 1.00 0.00 C ATOM 1769 OE1 GLU A 115 -9.725 -2.047 -5.222 1.00 0.00 O ATOM 1770 OE2 GLU A 115 -8.781 -1.452 -7.115 1.00 0.00 O ATOM 0 H GLU A 115 -6.801 -1.983 -1.521 1.00 0.00 H new ATOM 0 HA GLU A 115 -5.867 0.064 -3.129 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -6.654 -2.038 -4.031 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.259 -1.793 -3.370 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -8.255 0.370 -4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -6.959 -0.445 -5.729 1.00 0.00 H new ATOM 1777 N LYS A 116 -8.945 0.630 -2.042 1.00 0.00 N ATOM 1778 CA LYS A 116 -9.935 1.678 -1.823 1.00 0.00 C ATOM 1779 C LYS A 116 -9.333 2.839 -1.037 1.00 0.00 C ATOM 1780 O LYS A 116 -9.487 4.000 -1.413 1.00 0.00 O ATOM 1781 CB LYS A 116 -11.146 1.116 -1.075 1.00 0.00 C ATOM 1782 CG LYS A 116 -12.226 0.567 -1.992 1.00 0.00 C ATOM 1783 CD LYS A 116 -11.699 -0.562 -2.861 1.00 0.00 C ATOM 1784 CE LYS A 116 -12.796 -1.151 -3.735 1.00 0.00 C ATOM 1785 NZ LYS A 116 -12.326 -2.350 -4.483 1.00 0.00 N ATOM 0 H LYS A 116 -9.235 -0.296 -1.727 1.00 0.00 H new ATOM 0 HA LYS A 116 -10.257 2.049 -2.796 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -10.813 0.324 -0.405 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -11.574 1.901 -0.452 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -13.063 0.207 -1.394 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -12.608 1.367 -2.626 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -10.890 -0.191 -3.491 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -11.277 -1.343 -2.228 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -13.649 -1.422 -3.113 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -13.143 -0.396 -4.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -13.047 -2.631 -5.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -11.439 -2.125 -4.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -12.163 -3.133 -3.818 1.00 0.00 H new ATOM 1799 N ALA A 117 -8.647 2.516 0.054 1.00 0.00 N ATOM 1800 CA ALA A 117 -8.019 3.532 0.890 1.00 0.00 C ATOM 1801 C ALA A 117 -6.942 4.288 0.120 1.00 0.00 C ATOM 1802 O ALA A 117 -7.103 5.467 -0.195 1.00 0.00 O ATOM 1803 CB ALA A 117 -7.429 2.896 2.140 1.00 0.00 C ATOM 0 H ALA A 117 -8.512 1.559 0.380 1.00 0.00 H new ATOM 0 HA ALA A 117 -8.786 4.247 1.187 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.963 3.666 2.755 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -8.221 2.408 2.708 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -6.680 2.158 1.854 1.00 0.00 H new ATOM 1809 N ILE A 118 -5.844 3.602 -0.180 1.00 0.00 N ATOM 1810 CA ILE A 118 -4.741 4.209 -0.914 1.00 0.00 C ATOM 1811 C ILE A 118 -5.253 5.194 -1.960 1.00 0.00 C ATOM 1812 O ILE A 118 -4.790 6.333 -2.034 1.00 0.00 O ATOM 1813 CB ILE A 118 -3.874 3.144 -1.610 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -3.215 2.233 -0.572 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -2.820 3.808 -2.485 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -2.583 0.995 -1.169 1.00 0.00 C ATOM 0 H ILE A 118 -5.695 2.625 0.074 1.00 0.00 H new ATOM 0 HA ILE A 118 -4.131 4.741 -0.184 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.515 2.534 -2.246 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -2.452 2.798 -0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -3.962 1.932 0.162 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -2.215 3.042 -2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -3.309 4.419 -3.244 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -2.180 4.439 -1.868 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -2.135 0.396 -0.376 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -3.346 0.408 -1.680 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -1.812 1.288 -1.882 1.00 0.00 H new ATOM 1828 N ARG A 119 -6.212 4.749 -2.765 1.00 0.00 N ATOM 1829 CA ARG A 119 -6.788 5.592 -3.806 1.00 0.00 C ATOM 1830 C ARG A 119 -7.559 6.759 -3.196 1.00 0.00 C ATOM 1831 O ARG A 119 -7.347 7.914 -3.563 1.00 0.00 O ATOM 1832 CB ARG A 119 -7.713 4.769 -4.704 1.00 0.00 C ATOM 1833 CG ARG A 119 -8.477 5.604 -5.719 1.00 0.00 C ATOM 1834 CD ARG A 119 -8.791 4.805 -6.974 1.00 0.00 C ATOM 1835 NE ARG A 119 -9.947 5.339 -7.688 1.00 0.00 N ATOM 1836 CZ ARG A 119 -10.377 4.864 -8.852 1.00 0.00 C ATOM 1837 NH1 ARG A 119 -9.749 3.848 -9.429 1.00 0.00 N ATOM 1838 NH2 ARG A 119 -11.436 5.404 -9.440 1.00 0.00 N ATOM 0 H ARG A 119 -6.607 3.810 -2.716 1.00 0.00 H new ATOM 0 HA ARG A 119 -5.972 5.993 -4.407 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -7.122 4.021 -5.233 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -8.425 4.229 -4.080 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -9.405 5.962 -5.273 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -7.890 6.484 -5.984 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -7.923 4.810 -7.634 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -8.980 3.766 -6.704 1.00 0.00 H new ATOM 0 HE ARG A 119 -10.453 6.120 -7.270 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -8.935 3.430 -8.979 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -10.081 3.485 -10.323 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -11.921 6.185 -8.999 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -11.765 5.038 -10.334 1.00 0.00 H new ATOM 1852 N GLN A 120 -8.455 6.447 -2.265 1.00 0.00 N ATOM 1853 CA GLN A 120 -9.259 7.470 -1.606 1.00 0.00 C ATOM 1854 C GLN A 120 -8.402 8.673 -1.224 1.00 0.00 C ATOM 1855 O GLN A 120 -8.769 9.817 -1.489 1.00 0.00 O ATOM 1856 CB GLN A 120 -9.934 6.894 -0.361 1.00 0.00 C ATOM 1857 CG GLN A 120 -11.096 7.733 0.145 1.00 0.00 C ATOM 1858 CD GLN A 120 -11.592 7.285 1.506 1.00 0.00 C ATOM 1859 OE1 GLN A 120 -12.705 6.775 1.637 1.00 0.00 O ATOM 1860 NE2 GLN A 120 -10.766 7.474 2.528 1.00 0.00 N ATOM 0 H GLN A 120 -8.642 5.495 -1.950 1.00 0.00 H new ATOM 0 HA GLN A 120 -10.026 7.801 -2.306 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -10.293 5.889 -0.584 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -9.193 6.799 0.433 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -10.788 8.777 0.201 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -11.916 7.680 -0.571 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -9.852 7.901 2.373 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -11.045 7.193 3.468 1.00 0.00 H new ATOM 1869 N ALA A 121 -7.260 8.405 -0.599 1.00 0.00 N ATOM 1870 CA ALA A 121 -6.351 9.466 -0.182 1.00 0.00 C ATOM 1871 C ALA A 121 -6.143 10.482 -1.300 1.00 0.00 C ATOM 1872 O ALA A 121 -6.130 11.690 -1.060 1.00 0.00 O ATOM 1873 CB ALA A 121 -5.017 8.876 0.253 1.00 0.00 C ATOM 0 H ALA A 121 -6.942 7.463 -0.370 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.801 9.985 0.665 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -4.348 9.679 0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.176 8.194 1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -4.571 8.332 -0.580 1.00 0.00 H new ATOM 1879 N LEU A 122 -5.982 9.986 -2.521 1.00 0.00 N ATOM 1880 CA LEU A 122 -5.774 10.851 -3.677 1.00 0.00 C ATOM 1881 C LEU A 122 -6.778 11.999 -3.686 1.00 0.00 C ATOM 1882 O LEU A 122 -6.398 13.169 -3.657 1.00 0.00 O ATOM 1883 CB LEU A 122 -5.894 10.044 -4.971 1.00 0.00 C ATOM 1884 CG LEU A 122 -4.988 8.818 -5.084 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -5.097 8.198 -6.468 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -3.545 9.190 -4.777 1.00 0.00 C ATOM 0 H LEU A 122 -5.991 8.989 -2.737 1.00 0.00 H new ATOM 0 HA LEU A 122 -4.770 11.271 -3.609 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -6.928 9.717 -5.077 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -5.681 10.707 -5.810 1.00 0.00 H new ATOM 0 HG LEU A 122 -5.316 8.081 -4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -4.445 7.327 -6.529 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -6.128 7.893 -6.650 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -4.797 8.929 -7.219 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -2.915 8.305 -4.862 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.206 9.946 -5.485 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -3.479 9.586 -3.764 1.00 0.00 H new