USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 667 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 74 LYS NZ :NH3+ 162:sc= 1.74 (180deg=0.631) USER MOD Set 1.2: A 80 ASN : amide:sc= -2.7! C(o=-0.96!,f=-9!) USER MOD Set 2.1: A 36 MET CE :methyl -132:sc= -4.19! (180deg=-3.34!) USER MOD Set 2.2: A 40 ASN : amide:sc= -1.96 K(o=-6.1,f=-9.7!) USER MOD Single : A 15 HIS : no HD1:sc= -1.12 X(o=-1.1,f=-0.63) USER MOD Single : A 19 LYS NZ :NH3+ -160:sc= -0.0485 (180deg=-0.33) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.503 X(o=-0.5,f=-0.79) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.65 F(o=-4.7!,f=-0.65) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -72:sc= 1.27 USER MOD Single : A 48 MET CE :methyl 161:sc= -0.0167 (180deg=-0.225) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 80:sc= -0.92! USER MOD Single : A 59 HIS : no HD1:sc= -0.405 X(o=-0.4,f=-0.018) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.572 F(o=-1.2!,f=-0.57) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 61:sc= 0.0145 USER MOD Single : A 79 LYS NZ :NH3+ 173:sc= -0.0189 (180deg=-0.144) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 86 HIS : +bothHN:sc= 1.65 K(o=1.6,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 114 N VAL A 10 1.759 -11.032 -8.288 1.00 0.00 N ATOM 115 CA VAL A 10 0.466 -10.372 -8.212 1.00 0.00 C ATOM 116 C VAL A 10 0.605 -8.969 -7.641 1.00 0.00 C ATOM 117 O VAL A 10 1.059 -8.793 -6.508 1.00 0.00 O ATOM 118 CB VAL A 10 -0.524 -11.180 -7.344 1.00 0.00 C ATOM 119 CG1 VAL A 10 -1.883 -10.498 -7.296 1.00 0.00 C ATOM 120 CG2 VAL A 10 -0.653 -12.604 -7.862 1.00 0.00 C ATOM 0 HA VAL A 10 0.076 -10.309 -9.228 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.131 -11.221 -6.328 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.563 -11.085 -6.679 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.775 -9.501 -6.869 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.286 -10.418 -8.306 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.355 -13.156 -7.237 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.018 -12.586 -8.889 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.321 -13.092 -7.832 1.00 0.00 H new ATOM 130 N ASP A 11 0.219 -7.975 -8.428 1.00 0.00 N ATOM 131 CA ASP A 11 0.248 -6.591 -7.976 1.00 0.00 C ATOM 132 C ASP A 11 -1.115 -6.200 -7.430 1.00 0.00 C ATOM 133 O ASP A 11 -2.111 -6.228 -8.154 1.00 0.00 O ATOM 134 CB ASP A 11 0.607 -5.636 -9.123 1.00 0.00 C ATOM 135 CG ASP A 11 1.877 -6.017 -9.855 1.00 0.00 C ATOM 136 OD1 ASP A 11 1.784 -6.787 -10.836 1.00 0.00 O ATOM 137 OD2 ASP A 11 2.967 -5.544 -9.468 1.00 0.00 O ATOM 0 H ASP A 11 -0.118 -8.101 -9.382 1.00 0.00 H new ATOM 0 HA ASP A 11 1.008 -6.512 -7.199 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.218 -5.610 -9.834 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.716 -4.628 -8.724 1.00 0.00 H new ATOM 142 N VAL A 12 -1.163 -5.848 -6.160 1.00 0.00 N ATOM 143 CA VAL A 12 -2.380 -5.324 -5.564 1.00 0.00 C ATOM 144 C VAL A 12 -2.213 -3.829 -5.352 1.00 0.00 C ATOM 145 O VAL A 12 -1.311 -3.400 -4.637 1.00 0.00 O ATOM 146 CB VAL A 12 -2.709 -6.011 -4.222 1.00 0.00 C ATOM 147 CG1 VAL A 12 -4.051 -5.531 -3.691 1.00 0.00 C ATOM 148 CG2 VAL A 12 -2.701 -7.526 -4.372 1.00 0.00 C ATOM 0 H VAL A 12 -0.373 -5.915 -5.519 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.210 -5.525 -6.241 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.937 -5.739 -3.502 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.266 -6.026 -2.744 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.017 -4.453 -3.537 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.834 -5.770 -4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.936 -7.988 -3.413 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.447 -7.823 -5.110 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.715 -7.854 -4.701 1.00 0.00 H new ATOM 158 N GLU A 13 -3.070 -3.039 -5.972 1.00 0.00 N ATOM 159 CA GLU A 13 -2.844 -1.609 -6.040 1.00 0.00 C ATOM 160 C GLU A 13 -3.675 -0.875 -5.011 1.00 0.00 C ATOM 161 O GLU A 13 -4.905 -0.932 -5.029 1.00 0.00 O ATOM 162 CB GLU A 13 -3.158 -1.086 -7.437 1.00 0.00 C ATOM 163 CG GLU A 13 -2.528 -1.915 -8.541 1.00 0.00 C ATOM 164 CD GLU A 13 -2.636 -1.255 -9.892 1.00 0.00 C ATOM 165 OE1 GLU A 13 -3.736 -1.256 -10.478 1.00 0.00 O ATOM 166 OE2 GLU A 13 -1.615 -0.723 -10.371 1.00 0.00 O ATOM 0 H GLU A 13 -3.922 -3.361 -6.432 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.792 -1.426 -5.821 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.239 -1.068 -7.577 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.809 -0.057 -7.520 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.477 -2.087 -8.307 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.010 -2.892 -8.578 1.00 0.00 H new ATOM 173 N ILE A 14 -2.996 -0.189 -4.118 1.00 0.00 N ATOM 174 CA ILE A 14 -3.665 0.624 -3.129 1.00 0.00 C ATOM 175 C ILE A 14 -3.604 2.083 -3.560 1.00 0.00 C ATOM 176 O ILE A 14 -2.547 2.568 -3.960 1.00 0.00 O ATOM 177 CB ILE A 14 -3.029 0.488 -1.726 1.00 0.00 C ATOM 178 CG1 ILE A 14 -2.845 -0.988 -1.346 1.00 0.00 C ATOM 179 CG2 ILE A 14 -3.901 1.193 -0.701 1.00 0.00 C ATOM 180 CD1 ILE A 14 -2.247 -1.207 0.036 1.00 0.00 C ATOM 0 H ILE A 14 -1.978 -0.179 -4.057 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.696 0.277 -3.061 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.044 0.954 -1.743 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.813 -1.487 -1.394 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.203 -1.465 -2.087 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.451 1.096 0.287 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.985 2.249 -0.960 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.893 0.741 -0.694 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.151 -2.276 0.226 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.263 -0.740 0.085 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.898 -0.762 0.789 1.00 0.00 H new ATOM 192 N HIS A 15 -4.726 2.778 -3.500 1.00 0.00 N ATOM 193 CA HIS A 15 -4.767 4.176 -3.906 1.00 0.00 C ATOM 194 C HIS A 15 -5.018 5.081 -2.710 1.00 0.00 C ATOM 195 O HIS A 15 -6.096 5.075 -2.123 1.00 0.00 O ATOM 196 CB HIS A 15 -5.846 4.398 -4.968 1.00 0.00 C ATOM 197 CG HIS A 15 -5.530 3.783 -6.299 1.00 0.00 C ATOM 198 ND1 HIS A 15 -6.084 2.599 -6.732 1.00 0.00 N ATOM 199 CD2 HIS A 15 -4.721 4.205 -7.300 1.00 0.00 C ATOM 200 CE1 HIS A 15 -5.631 2.318 -7.939 1.00 0.00 C ATOM 201 NE2 HIS A 15 -4.803 3.275 -8.308 1.00 0.00 N ATOM 0 H HIS A 15 -5.617 2.402 -3.176 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.797 4.429 -4.334 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.788 3.988 -4.605 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.995 5.470 -5.101 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.123 5.104 -7.305 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -5.894 1.450 -8.526 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -4.305 3.318 -9.197 1.00 0.00 H new ATOM 210 N PHE A 16 -4.021 5.860 -2.355 1.00 0.00 N ATOM 211 CA PHE A 16 -4.127 6.774 -1.231 1.00 0.00 C ATOM 212 C PHE A 16 -4.257 8.205 -1.734 1.00 0.00 C ATOM 213 O PHE A 16 -3.801 8.518 -2.833 1.00 0.00 O ATOM 214 CB PHE A 16 -2.896 6.660 -0.338 1.00 0.00 C ATOM 215 CG PHE A 16 -2.773 5.360 0.406 1.00 0.00 C ATOM 216 CD1 PHE A 16 -3.848 4.835 1.100 1.00 0.00 C ATOM 217 CD2 PHE A 16 -1.566 4.682 0.433 1.00 0.00 C ATOM 218 CE1 PHE A 16 -3.723 3.656 1.807 1.00 0.00 C ATOM 219 CE2 PHE A 16 -1.436 3.499 1.135 1.00 0.00 C ATOM 220 CZ PHE A 16 -2.515 2.987 1.824 1.00 0.00 C ATOM 0 H PHE A 16 -3.119 5.881 -2.831 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.013 6.511 -0.653 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.006 6.796 -0.952 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.913 7.476 0.385 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.796 5.353 1.089 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.717 5.082 -0.101 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.569 3.257 2.346 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.491 2.976 1.144 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.416 2.064 2.376 1.00 0.00 H new ATOM 230 N PRO A 17 -4.886 9.092 -0.949 1.00 0.00 N ATOM 231 CA PRO A 17 -5.030 10.494 -1.319 1.00 0.00 C ATOM 232 C PRO A 17 -3.770 11.295 -0.996 1.00 0.00 C ATOM 233 O PRO A 17 -3.422 11.463 0.176 1.00 0.00 O ATOM 234 CB PRO A 17 -6.198 10.954 -0.455 1.00 0.00 C ATOM 235 CG PRO A 17 -6.084 10.135 0.781 1.00 0.00 C ATOM 236 CD PRO A 17 -5.511 8.805 0.358 1.00 0.00 C ATOM 0 HA PRO A 17 -5.193 10.635 -2.388 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.134 12.019 -0.234 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.152 10.789 -0.955 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.438 10.622 1.511 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.058 10.006 1.253 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -4.781 8.436 1.079 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.287 8.044 0.272 1.00 0.00 H new ATOM 244 N LEU A 18 -3.104 11.779 -2.041 1.00 0.00 N ATOM 245 CA LEU A 18 -1.772 12.389 -1.944 1.00 0.00 C ATOM 246 C LEU A 18 -1.646 13.335 -0.748 1.00 0.00 C ATOM 247 O LEU A 18 -0.702 13.222 0.037 1.00 0.00 O ATOM 248 CB LEU A 18 -1.451 13.126 -3.261 1.00 0.00 C ATOM 249 CG LEU A 18 -0.015 13.672 -3.440 1.00 0.00 C ATOM 250 CD1 LEU A 18 0.194 14.975 -2.678 1.00 0.00 C ATOM 251 CD2 LEU A 18 1.020 12.643 -3.015 1.00 0.00 C ATOM 0 H LEU A 18 -3.474 11.761 -2.991 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.048 11.590 -1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.658 12.445 -4.087 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.144 13.962 -3.356 1.00 0.00 H new ATOM 0 HG LEU A 18 0.116 13.879 -4.502 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.215 15.325 -2.830 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.506 15.727 -3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.022 14.806 -1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.020 13.055 -3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.872 12.391 -1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.911 11.745 -3.623 1.00 0.00 H new ATOM 263 N LYS A 19 -2.604 14.238 -0.591 1.00 0.00 N ATOM 264 CA LYS A 19 -2.491 15.279 0.425 1.00 0.00 C ATOM 265 C LYS A 19 -2.741 14.736 1.829 1.00 0.00 C ATOM 266 O LYS A 19 -2.148 15.216 2.798 1.00 0.00 O ATOM 267 CB LYS A 19 -3.464 16.435 0.153 1.00 0.00 C ATOM 268 CG LYS A 19 -3.085 17.343 -1.012 1.00 0.00 C ATOM 269 CD LYS A 19 -3.308 16.675 -2.358 1.00 0.00 C ATOM 270 CE LYS A 19 -3.280 17.673 -3.492 1.00 0.00 C ATOM 271 NZ LYS A 19 -4.444 18.599 -3.444 1.00 0.00 N ATOM 0 H LYS A 19 -3.459 14.273 -1.146 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.467 15.649 0.371 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.453 16.019 -0.039 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.543 17.042 1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.673 18.260 -0.962 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.038 17.630 -0.920 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.540 15.919 -2.520 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.268 16.158 -2.353 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.356 18.249 -3.446 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.278 17.141 -4.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.585 19.029 -4.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.298 18.070 -3.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.264 19.346 -2.744 1.00 0.00 H new ATOM 285 N ARG A 20 -3.601 13.732 1.949 1.00 0.00 N ATOM 286 CA ARG A 20 -4.032 13.285 3.266 1.00 0.00 C ATOM 287 C ARG A 20 -3.227 12.080 3.749 1.00 0.00 C ATOM 288 O ARG A 20 -3.152 11.825 4.949 1.00 0.00 O ATOM 289 CB ARG A 20 -5.532 12.990 3.276 1.00 0.00 C ATOM 290 CG ARG A 20 -6.198 13.340 4.601 1.00 0.00 C ATOM 291 CD ARG A 20 -7.695 13.570 4.448 1.00 0.00 C ATOM 292 NE ARG A 20 -7.990 14.628 3.483 1.00 0.00 N ATOM 293 CZ ARG A 20 -8.993 15.499 3.598 1.00 0.00 C ATOM 294 NH1 ARG A 20 -9.796 15.466 4.654 1.00 0.00 N ATOM 295 NH2 ARG A 20 -9.187 16.410 2.655 1.00 0.00 N ATOM 0 H ARG A 20 -4.007 13.220 1.166 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.841 14.098 3.967 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.013 13.551 2.475 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.690 11.933 3.064 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.027 12.535 5.316 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.735 14.236 5.013 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.173 12.644 4.129 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.122 13.832 5.416 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.386 14.705 2.664 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.648 14.771 5.386 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.561 16.136 4.734 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.570 16.444 1.844 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.954 17.077 2.741 1.00 0.00 H new ATOM 309 N ILE A 21 -2.606 11.343 2.833 1.00 0.00 N ATOM 310 CA ILE A 21 -1.688 10.278 3.236 1.00 0.00 C ATOM 311 C ILE A 21 -0.403 10.896 3.785 1.00 0.00 C ATOM 312 O ILE A 21 0.270 10.312 4.630 1.00 0.00 O ATOM 313 CB ILE A 21 -1.358 9.298 2.080 1.00 0.00 C ATOM 314 CG1 ILE A 21 -0.367 8.218 2.544 1.00 0.00 C ATOM 315 CG2 ILE A 21 -0.803 10.043 0.874 1.00 0.00 C ATOM 316 CD1 ILE A 21 -0.891 7.329 3.653 1.00 0.00 C ATOM 0 H ILE A 21 -2.717 11.458 1.826 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.186 9.693 4.009 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.286 8.810 1.783 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.100 7.595 1.690 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.548 8.703 2.884 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.580 9.332 0.078 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.540 10.764 0.521 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.109 10.567 1.158 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.131 6.595 3.921 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.131 7.938 4.525 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.789 6.813 3.312 1.00 0.00 H new ATOM 328 N ALA A 22 -0.089 12.100 3.313 1.00 0.00 N ATOM 329 CA ALA A 22 1.049 12.855 3.823 1.00 0.00 C ATOM 330 C ALA A 22 0.699 13.499 5.157 1.00 0.00 C ATOM 331 O ALA A 22 1.562 14.030 5.856 1.00 0.00 O ATOM 332 CB ALA A 22 1.469 13.923 2.823 1.00 0.00 C ATOM 0 H ALA A 22 -0.610 12.574 2.575 1.00 0.00 H new ATOM 0 HA ALA A 22 1.882 12.167 3.971 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.320 14.478 3.219 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.750 13.450 1.882 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.638 14.607 2.651 1.00 0.00 H new ATOM 338 N ALA A 23 -0.575 13.427 5.507 1.00 0.00 N ATOM 339 CA ALA A 23 -1.083 14.072 6.700 1.00 0.00 C ATOM 340 C ALA A 23 -0.983 13.150 7.907 1.00 0.00 C ATOM 341 O ALA A 23 -0.964 11.925 7.779 1.00 0.00 O ATOM 342 CB ALA A 23 -2.522 14.503 6.481 1.00 0.00 C ATOM 0 H ALA A 23 -1.281 12.921 4.972 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.473 14.953 6.901 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.898 14.987 7.382 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.569 15.202 5.646 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.134 13.629 6.257 1.00 0.00 H new ATOM 348 N GLU A 24 -0.925 13.761 9.078 1.00 0.00 N ATOM 349 CA GLU A 24 -0.787 13.037 10.332 1.00 0.00 C ATOM 350 C GLU A 24 -2.144 12.561 10.835 1.00 0.00 C ATOM 351 O GLU A 24 -2.229 11.718 11.729 1.00 0.00 O ATOM 352 CB GLU A 24 -0.106 13.935 11.364 1.00 0.00 C ATOM 353 CG GLU A 24 -0.734 15.315 11.466 1.00 0.00 C ATOM 354 CD GLU A 24 0.088 16.275 12.296 1.00 0.00 C ATOM 355 OE1 GLU A 24 1.025 16.888 11.744 1.00 0.00 O ATOM 356 OE2 GLU A 24 -0.208 16.434 13.496 1.00 0.00 O ATOM 0 H GLU A 24 -0.972 14.774 9.187 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.170 12.154 10.168 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.147 13.451 12.340 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.947 14.041 11.105 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.862 15.726 10.464 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.729 15.225 11.903 1.00 0.00 H new ATOM 363 N GLY A 25 -3.199 13.111 10.255 1.00 0.00 N ATOM 364 CA GLY A 25 -4.542 12.660 10.552 1.00 0.00 C ATOM 365 C GLY A 25 -5.074 11.769 9.452 1.00 0.00 C ATOM 366 O GLY A 25 -6.223 11.896 9.033 1.00 0.00 O ATOM 0 H GLY A 25 -3.147 13.870 9.576 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.546 12.117 11.497 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.199 13.521 10.676 1.00 0.00 H new ATOM 370 N TYR A 26 -4.223 10.858 8.987 1.00 0.00 N ATOM 371 CA TYR A 26 -4.570 9.960 7.888 1.00 0.00 C ATOM 372 C TYR A 26 -5.783 9.093 8.230 1.00 0.00 C ATOM 373 O TYR A 26 -6.539 8.694 7.348 1.00 0.00 O ATOM 374 CB TYR A 26 -3.368 9.073 7.521 1.00 0.00 C ATOM 375 CG TYR A 26 -2.819 8.257 8.675 1.00 0.00 C ATOM 376 CD1 TYR A 26 -3.384 7.033 9.019 1.00 0.00 C ATOM 377 CD2 TYR A 26 -1.739 8.711 9.422 1.00 0.00 C ATOM 378 CE1 TYR A 26 -2.890 6.287 10.071 1.00 0.00 C ATOM 379 CE2 TYR A 26 -1.238 7.970 10.476 1.00 0.00 C ATOM 380 CZ TYR A 26 -1.818 6.759 10.797 1.00 0.00 C ATOM 381 OH TYR A 26 -1.326 6.021 11.849 1.00 0.00 O ATOM 0 H TYR A 26 -3.282 10.722 9.357 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.833 10.576 7.029 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.663 8.395 6.720 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.572 9.705 7.127 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.224 6.659 8.453 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.283 9.659 9.175 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -3.341 5.339 10.323 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.397 8.337 11.046 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.569 6.494 12.255 1.00 0.00 H new ATOM 391 N ALA A 27 -5.975 8.832 9.519 1.00 0.00 N ATOM 392 CA ALA A 27 -7.065 7.975 9.980 1.00 0.00 C ATOM 393 C ALA A 27 -8.427 8.630 9.762 1.00 0.00 C ATOM 394 O ALA A 27 -9.463 7.968 9.838 1.00 0.00 O ATOM 395 CB ALA A 27 -6.874 7.630 11.448 1.00 0.00 C ATOM 0 H ALA A 27 -5.388 9.203 10.266 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.041 7.059 9.390 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.692 6.991 11.781 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.928 7.105 11.578 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.865 8.546 12.039 1.00 0.00 H new ATOM 401 N GLU A 28 -8.419 9.927 9.489 1.00 0.00 N ATOM 402 CA GLU A 28 -9.650 10.675 9.265 1.00 0.00 C ATOM 403 C GLU A 28 -10.137 10.494 7.828 1.00 0.00 C ATOM 404 O GLU A 28 -11.304 10.742 7.515 1.00 0.00 O ATOM 405 CB GLU A 28 -9.415 12.164 9.536 1.00 0.00 C ATOM 406 CG GLU A 28 -10.678 13.007 9.479 1.00 0.00 C ATOM 407 CD GLU A 28 -10.392 14.460 9.174 1.00 0.00 C ATOM 408 OE1 GLU A 28 -9.876 15.170 10.058 1.00 0.00 O ATOM 409 OE2 GLU A 28 -10.670 14.898 8.036 1.00 0.00 O ATOM 0 H GLU A 28 -7.569 10.487 9.417 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.410 10.294 9.947 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.959 12.277 10.520 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.701 12.548 8.807 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.346 12.604 8.717 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.202 12.936 10.432 1.00 0.00 H new ATOM 416 N ASP A 29 -9.245 10.057 6.955 1.00 0.00 N ATOM 417 CA ASP A 29 -9.550 9.996 5.532 1.00 0.00 C ATOM 418 C ASP A 29 -10.274 8.705 5.169 1.00 0.00 C ATOM 419 O ASP A 29 -9.679 7.626 5.149 1.00 0.00 O ATOM 420 CB ASP A 29 -8.275 10.129 4.710 1.00 0.00 C ATOM 421 CG ASP A 29 -8.571 10.227 3.231 1.00 0.00 C ATOM 422 OD1 ASP A 29 -8.943 11.325 2.766 1.00 0.00 O ATOM 423 OD2 ASP A 29 -8.444 9.212 2.536 1.00 0.00 O ATOM 0 H ASP A 29 -8.308 9.740 7.203 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.214 10.829 5.301 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.726 11.014 5.031 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.631 9.270 4.896 1.00 0.00 H new ATOM 428 N GLU A 30 -11.556 8.833 4.851 1.00 0.00 N ATOM 429 CA GLU A 30 -12.396 7.685 4.549 1.00 0.00 C ATOM 430 C GLU A 30 -11.904 6.990 3.292 1.00 0.00 C ATOM 431 O GLU A 30 -12.057 5.786 3.132 1.00 0.00 O ATOM 432 CB GLU A 30 -13.834 8.134 4.335 1.00 0.00 C ATOM 433 CG GLU A 30 -14.839 6.995 4.370 1.00 0.00 C ATOM 434 CD GLU A 30 -14.971 6.372 5.743 1.00 0.00 C ATOM 435 OE1 GLU A 30 -15.138 7.120 6.730 1.00 0.00 O ATOM 436 OE2 GLU A 30 -14.935 5.132 5.838 1.00 0.00 O ATOM 0 H GLU A 30 -12.039 9.730 4.796 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.348 6.993 5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.096 8.862 5.102 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.908 8.643 3.374 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.813 7.365 4.049 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.538 6.229 3.656 1.00 0.00 H new ATOM 443 N LEU A 31 -11.309 7.765 2.407 1.00 0.00 N ATOM 444 CA LEU A 31 -10.797 7.267 1.159 1.00 0.00 C ATOM 445 C LEU A 31 -9.670 6.273 1.461 1.00 0.00 C ATOM 446 O LEU A 31 -9.591 5.193 0.865 1.00 0.00 O ATOM 447 CB LEU A 31 -10.339 8.489 0.339 1.00 0.00 C ATOM 448 CG LEU A 31 -9.969 8.266 -1.124 1.00 0.00 C ATOM 449 CD1 LEU A 31 -8.542 7.790 -1.221 1.00 0.00 C ATOM 450 CD2 LEU A 31 -10.927 7.286 -1.790 1.00 0.00 C ATOM 0 H LEU A 31 -11.169 8.766 2.541 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.541 6.727 0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.135 9.233 0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.474 8.924 0.841 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.057 9.213 -1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.282 7.632 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.878 8.540 -0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.433 6.853 -0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.639 7.147 -2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.887 6.328 -1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.942 7.681 -1.744 1.00 0.00 H new ATOM 462 N LEU A 32 -8.856 6.621 2.454 1.00 0.00 N ATOM 463 CA LEU A 32 -7.802 5.766 2.953 1.00 0.00 C ATOM 464 C LEU A 32 -8.412 4.482 3.500 1.00 0.00 C ATOM 465 O LEU A 32 -7.931 3.374 3.248 1.00 0.00 O ATOM 466 CB LEU A 32 -7.074 6.505 4.076 1.00 0.00 C ATOM 467 CG LEU A 32 -5.605 6.173 4.237 1.00 0.00 C ATOM 468 CD1 LEU A 32 -4.761 7.088 3.371 1.00 0.00 C ATOM 469 CD2 LEU A 32 -5.188 6.267 5.694 1.00 0.00 C ATOM 0 H LEU A 32 -8.917 7.518 2.936 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.104 5.518 2.153 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.168 7.577 3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.581 6.289 5.016 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.444 5.146 3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.707 6.838 3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.042 6.961 2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.926 8.124 3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.129 6.024 5.786 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.361 7.280 6.057 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.774 5.564 6.286 1.00 0.00 H new ATOM 481 N LEU A 33 -9.496 4.666 4.242 1.00 0.00 N ATOM 482 CA LEU A 33 -10.225 3.576 4.869 1.00 0.00 C ATOM 483 C LEU A 33 -10.822 2.653 3.815 1.00 0.00 C ATOM 484 O LEU A 33 -10.738 1.436 3.931 1.00 0.00 O ATOM 485 CB LEU A 33 -11.326 4.166 5.757 1.00 0.00 C ATOM 486 CG LEU A 33 -11.897 3.243 6.839 1.00 0.00 C ATOM 487 CD1 LEU A 33 -12.582 4.063 7.920 1.00 0.00 C ATOM 488 CD2 LEU A 33 -12.879 2.244 6.248 1.00 0.00 C ATOM 0 H LEU A 33 -9.896 5.586 4.426 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.543 2.983 5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.931 5.058 6.243 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.146 4.488 5.115 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.068 2.688 7.278 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.984 3.396 8.683 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.860 4.741 8.375 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -13.394 4.640 7.479 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.267 1.603 7.040 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.704 2.779 5.778 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.371 1.632 5.502 1.00 0.00 H new ATOM 500 N ASN A 34 -11.420 3.237 2.787 1.00 0.00 N ATOM 501 CA ASN A 34 -12.035 2.461 1.713 1.00 0.00 C ATOM 502 C ASN A 34 -11.022 1.547 1.044 1.00 0.00 C ATOM 503 O ASN A 34 -11.311 0.377 0.779 1.00 0.00 O ATOM 504 CB ASN A 34 -12.684 3.375 0.667 1.00 0.00 C ATOM 505 CG ASN A 34 -14.073 3.839 1.067 1.00 0.00 C ATOM 506 OD1 ASN A 34 -15.069 3.182 0.770 1.00 0.00 O ATOM 507 ND2 ASN A 34 -14.153 4.976 1.737 1.00 0.00 N ATOM 0 H ASN A 34 -11.494 4.248 2.671 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.812 1.846 2.166 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.048 4.246 0.508 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -12.743 2.845 -0.284 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -15.063 5.335 2.025 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -13.305 5.494 1.966 1.00 0.00 H new ATOM 514 N GLN A 35 -9.827 2.067 0.783 1.00 0.00 N ATOM 515 CA GLN A 35 -8.790 1.261 0.149 1.00 0.00 C ATOM 516 C GLN A 35 -8.299 0.167 1.082 1.00 0.00 C ATOM 517 O GLN A 35 -8.191 -0.999 0.688 1.00 0.00 O ATOM 518 CB GLN A 35 -7.620 2.131 -0.286 1.00 0.00 C ATOM 519 CG GLN A 35 -7.748 2.662 -1.701 1.00 0.00 C ATOM 520 CD GLN A 35 -8.981 3.509 -1.917 1.00 0.00 C ATOM 521 OE1 GLN A 35 -8.848 4.808 -1.716 1.00 0.00 O flip ATOM 522 NE2 GLN A 35 -10.044 3.001 -2.272 1.00 0.00 N flip ATOM 0 H GLN A 35 -9.555 3.027 0.996 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.230 0.794 -0.732 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.529 2.972 0.401 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.699 1.553 -0.206 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.864 3.253 -1.940 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -7.767 1.822 -2.396 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.104 1.993 -2.416 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -10.865 3.588 -2.422 1.00 0.00 H new ATOM 531 N MET A 36 -8.054 0.532 2.332 1.00 0.00 N ATOM 532 CA MET A 36 -7.530 -0.420 3.295 1.00 0.00 C ATOM 533 C MET A 36 -8.657 -1.130 4.019 1.00 0.00 C ATOM 534 O MET A 36 -8.454 -1.747 5.058 1.00 0.00 O ATOM 535 CB MET A 36 -6.591 0.256 4.291 1.00 0.00 C ATOM 536 CG MET A 36 -5.383 0.902 3.632 1.00 0.00 C ATOM 537 SD MET A 36 -4.677 -0.113 2.316 1.00 0.00 S ATOM 538 CE MET A 36 -4.213 -1.604 3.196 1.00 0.00 C ATOM 0 H MET A 36 -8.208 1.471 2.699 1.00 0.00 H new ATOM 0 HA MET A 36 -6.953 -1.163 2.745 1.00 0.00 H new ATOM 0 HB2 MET A 36 -7.144 1.015 4.844 1.00 0.00 H new ATOM 0 HB3 MET A 36 -6.249 -0.482 5.017 1.00 0.00 H new ATOM 0 HG2 MET A 36 -5.673 1.870 3.222 1.00 0.00 H new ATOM 0 HG3 MET A 36 -4.620 1.091 4.388 1.00 0.00 H new ATOM 0 HE1 MET A 36 -3.193 -1.881 2.930 1.00 0.00 H new ATOM 0 HE2 MET A 36 -4.272 -1.426 4.270 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.891 -2.413 2.924 1.00 0.00 H new ATOM 548 N GLY A 37 -9.852 -0.988 3.487 1.00 0.00 N ATOM 549 CA GLY A 37 -10.950 -1.832 3.886 1.00 0.00 C ATOM 550 C GLY A 37 -11.145 -2.926 2.868 1.00 0.00 C ATOM 551 O GLY A 37 -11.430 -4.070 3.213 1.00 0.00 O ATOM 0 H GLY A 37 -10.085 -0.294 2.776 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.751 -2.265 4.866 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.861 -1.241 3.978 1.00 0.00 H new ATOM 555 N LYS A 38 -10.970 -2.558 1.602 1.00 0.00 N ATOM 556 CA LYS A 38 -11.016 -3.511 0.505 1.00 0.00 C ATOM 557 C LYS A 38 -9.891 -4.539 0.621 1.00 0.00 C ATOM 558 O LYS A 38 -10.142 -5.724 0.838 1.00 0.00 O ATOM 559 CB LYS A 38 -10.925 -2.776 -0.837 1.00 0.00 C ATOM 560 CG LYS A 38 -10.718 -3.691 -2.039 1.00 0.00 C ATOM 561 CD LYS A 38 -11.787 -4.771 -2.124 1.00 0.00 C ATOM 562 CE LYS A 38 -11.466 -5.784 -3.210 1.00 0.00 C ATOM 563 NZ LYS A 38 -12.428 -6.917 -3.214 1.00 0.00 N ATOM 0 H LYS A 38 -10.794 -1.596 1.312 1.00 0.00 H new ATOM 0 HA LYS A 38 -11.966 -4.042 0.557 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.839 -2.201 -0.986 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.103 -2.062 -0.792 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.729 -3.097 -2.953 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.735 -4.158 -1.974 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.870 -5.279 -1.163 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.755 -4.312 -2.327 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.482 -5.291 -4.182 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.456 -6.166 -3.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.174 -7.585 -3.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.395 -7.404 -2.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.389 -6.556 -3.380 1.00 0.00 H new ATOM 577 N VAL A 39 -8.650 -4.089 0.484 1.00 0.00 N ATOM 578 CA VAL A 39 -7.523 -5.008 0.522 1.00 0.00 C ATOM 579 C VAL A 39 -6.997 -5.143 1.953 1.00 0.00 C ATOM 580 O VAL A 39 -5.901 -4.695 2.298 1.00 0.00 O ATOM 581 CB VAL A 39 -6.404 -4.589 -0.469 1.00 0.00 C ATOM 582 CG1 VAL A 39 -5.926 -3.166 -0.221 1.00 0.00 C ATOM 583 CG2 VAL A 39 -5.239 -5.568 -0.420 1.00 0.00 C ATOM 0 H VAL A 39 -8.402 -3.109 0.348 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.872 -5.988 0.196 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.835 -4.616 -1.470 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.143 -2.915 -0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.761 -2.476 -0.340 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.531 -3.086 0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.468 -5.252 -1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.824 -5.589 0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.589 -6.564 -0.689 1.00 0.00 H new ATOM 593 N ASN A 40 -7.805 -5.760 2.801 1.00 0.00 N ATOM 594 CA ASN A 40 -7.450 -5.882 4.203 1.00 0.00 C ATOM 595 C ASN A 40 -8.184 -7.029 4.883 1.00 0.00 C ATOM 596 O ASN A 40 -8.141 -7.159 6.105 1.00 0.00 O ATOM 597 CB ASN A 40 -7.771 -4.584 4.922 1.00 0.00 C ATOM 598 CG ASN A 40 -6.583 -4.027 5.669 1.00 0.00 C ATOM 599 OD1 ASN A 40 -6.714 -3.539 6.789 1.00 0.00 O ATOM 600 ND2 ASN A 40 -5.425 -4.048 5.031 1.00 0.00 N ATOM 0 H ASN A 40 -8.700 -6.179 2.546 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.382 -6.093 4.255 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.118 -3.847 4.197 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.589 -4.753 5.622 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.595 -3.648 5.468 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.362 -4.464 4.102 1.00 0.00 H new ATOM 607 N ASP A 41 -8.857 -7.855 4.105 1.00 0.00 N ATOM 608 CA ASP A 41 -9.561 -9.000 4.666 1.00 0.00 C ATOM 609 C ASP A 41 -8.972 -10.294 4.120 1.00 0.00 C ATOM 610 O ASP A 41 -8.853 -11.286 4.835 1.00 0.00 O ATOM 611 CB ASP A 41 -11.066 -8.926 4.368 1.00 0.00 C ATOM 612 CG ASP A 41 -11.393 -9.083 2.896 1.00 0.00 C ATOM 613 OD1 ASP A 41 -11.335 -8.079 2.159 1.00 0.00 O ATOM 614 OD2 ASP A 41 -11.703 -10.215 2.467 1.00 0.00 O ATOM 0 H ASP A 41 -8.933 -7.760 3.092 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.434 -8.982 5.748 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.580 -9.704 4.932 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.453 -7.969 4.719 1.00 0.00 H new ATOM 619 N THR A 42 -8.587 -10.266 2.849 1.00 0.00 N ATOM 620 CA THR A 42 -7.968 -11.415 2.202 1.00 0.00 C ATOM 621 C THR A 42 -6.854 -10.973 1.247 1.00 0.00 C ATOM 622 O THR A 42 -6.904 -11.254 0.050 1.00 0.00 O ATOM 623 CB THR A 42 -9.019 -12.236 1.427 1.00 0.00 C ATOM 624 OG1 THR A 42 -9.963 -11.349 0.801 1.00 0.00 O ATOM 625 CG2 THR A 42 -9.752 -13.202 2.346 1.00 0.00 C ATOM 0 H THR A 42 -8.694 -9.453 2.243 1.00 0.00 H new ATOM 0 HA THR A 42 -7.533 -12.039 2.983 1.00 0.00 H new ATOM 0 HB THR A 42 -8.501 -12.819 0.665 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.543 -10.953 1.485 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.486 -13.766 1.770 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.036 -13.891 2.795 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.260 -12.642 3.132 1.00 0.00 H new ATOM 633 N PRO A 43 -5.826 -10.275 1.764 1.00 0.00 N ATOM 634 CA PRO A 43 -4.764 -9.706 0.949 1.00 0.00 C ATOM 635 C PRO A 43 -3.539 -10.614 0.841 1.00 0.00 C ATOM 636 O PRO A 43 -2.414 -10.119 0.732 1.00 0.00 O ATOM 637 CB PRO A 43 -4.421 -8.444 1.733 1.00 0.00 C ATOM 638 CG PRO A 43 -4.631 -8.819 3.168 1.00 0.00 C ATOM 639 CD PRO A 43 -5.607 -9.977 3.189 1.00 0.00 C ATOM 0 HA PRO A 43 -5.069 -9.544 -0.085 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.392 -8.132 1.552 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.062 -7.611 1.443 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.687 -9.103 3.634 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -5.024 -7.974 3.733 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.197 -10.837 3.719 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.537 -9.708 3.689 1.00 0.00 H new ATOM 647 N GLU A 44 -3.764 -11.933 0.904 1.00 0.00 N ATOM 648 CA GLU A 44 -2.696 -12.941 0.803 1.00 0.00 C ATOM 649 C GLU A 44 -1.862 -12.990 2.088 1.00 0.00 C ATOM 650 O GLU A 44 -1.589 -14.063 2.628 1.00 0.00 O ATOM 651 CB GLU A 44 -1.790 -12.669 -0.408 1.00 0.00 C ATOM 652 CG GLU A 44 -0.770 -13.765 -0.681 1.00 0.00 C ATOM 653 CD GLU A 44 -1.395 -15.009 -1.277 1.00 0.00 C ATOM 654 OE1 GLU A 44 -1.512 -15.077 -2.518 1.00 0.00 O ATOM 655 OE2 GLU A 44 -1.772 -15.923 -0.516 1.00 0.00 O ATOM 0 H GLU A 44 -4.694 -12.334 1.027 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.173 -13.911 0.664 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.414 -12.540 -1.293 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.263 -11.728 -0.249 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.007 -13.385 -1.361 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.266 -14.027 0.249 1.00 0.00 H new ATOM 662 N GLU A 45 -1.456 -11.821 2.557 1.00 0.00 N ATOM 663 CA GLU A 45 -0.670 -11.697 3.773 1.00 0.00 C ATOM 664 C GLU A 45 -1.533 -11.839 5.029 1.00 0.00 C ATOM 665 O GLU A 45 -1.767 -12.947 5.502 1.00 0.00 O ATOM 666 CB GLU A 45 0.058 -10.357 3.769 1.00 0.00 C ATOM 667 CG GLU A 45 1.517 -10.449 3.375 1.00 0.00 C ATOM 668 CD GLU A 45 2.382 -10.976 4.496 1.00 0.00 C ATOM 669 OE1 GLU A 45 2.113 -12.091 4.984 1.00 0.00 O ATOM 670 OE2 GLU A 45 3.329 -10.264 4.907 1.00 0.00 O ATOM 0 H GLU A 45 -1.663 -10.931 2.104 1.00 0.00 H new ATOM 0 HA GLU A 45 0.057 -12.509 3.795 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.451 -9.681 3.082 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.012 -9.914 4.763 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.616 -11.100 2.506 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.873 -9.463 3.077 1.00 0.00 H new ATOM 677 N GLU A 46 -2.016 -10.720 5.556 1.00 0.00 N ATOM 678 CA GLU A 46 -2.788 -10.732 6.796 1.00 0.00 C ATOM 679 C GLU A 46 -4.093 -9.954 6.646 1.00 0.00 C ATOM 680 O GLU A 46 -5.107 -10.508 6.229 1.00 0.00 O ATOM 681 CB GLU A 46 -1.962 -10.146 7.942 1.00 0.00 C ATOM 682 CG GLU A 46 -0.738 -10.968 8.309 1.00 0.00 C ATOM 683 CD GLU A 46 -1.040 -12.053 9.319 1.00 0.00 C ATOM 684 OE1 GLU A 46 -1.759 -13.014 8.983 1.00 0.00 O ATOM 685 OE2 GLU A 46 -0.554 -11.945 10.465 1.00 0.00 O ATOM 0 H GLU A 46 -1.888 -9.795 5.147 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.034 -11.769 7.024 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.642 -9.141 7.668 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.598 -10.049 8.822 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.327 -11.422 7.407 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.030 -10.307 8.711 1.00 0.00 H new ATOM 692 N GLY A 47 -4.055 -8.665 6.966 1.00 0.00 N ATOM 693 CA GLY A 47 -5.239 -7.839 6.843 1.00 0.00 C ATOM 694 C GLY A 47 -5.100 -6.511 7.561 1.00 0.00 C ATOM 695 O GLY A 47 -4.429 -5.603 7.076 1.00 0.00 O ATOM 0 H GLY A 47 -3.226 -8.179 7.308 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.443 -7.658 5.788 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.097 -8.378 7.246 1.00 0.00 H new ATOM 699 N MET A 48 -5.714 -6.399 8.728 1.00 0.00 N ATOM 700 CA MET A 48 -5.682 -5.152 9.493 1.00 0.00 C ATOM 701 C MET A 48 -4.247 -4.648 9.728 1.00 0.00 C ATOM 702 O MET A 48 -3.971 -3.458 9.536 1.00 0.00 O ATOM 703 CB MET A 48 -6.403 -5.308 10.830 1.00 0.00 C ATOM 704 CG MET A 48 -6.668 -3.976 11.520 1.00 0.00 C ATOM 705 SD MET A 48 -6.595 -4.086 13.317 1.00 0.00 S ATOM 706 CE MET A 48 -4.829 -4.298 13.566 1.00 0.00 C ATOM 0 H MET A 48 -6.241 -7.152 9.170 1.00 0.00 H new ATOM 0 HA MET A 48 -6.203 -4.407 8.892 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.350 -5.822 10.668 1.00 0.00 H new ATOM 0 HB3 MET A 48 -5.806 -5.940 11.488 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.937 -3.244 11.177 1.00 0.00 H new ATOM 0 HG3 MET A 48 -7.651 -3.609 11.224 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.574 -4.048 14.596 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.555 -5.334 13.366 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.284 -3.641 12.888 1.00 0.00 H new ATOM 716 N PRO A 49 -3.303 -5.531 10.140 1.00 0.00 N ATOM 717 CA PRO A 49 -1.903 -5.139 10.320 1.00 0.00 C ATOM 718 C PRO A 49 -1.301 -4.648 9.013 1.00 0.00 C ATOM 719 O PRO A 49 -0.415 -3.799 9.006 1.00 0.00 O ATOM 720 CB PRO A 49 -1.209 -6.424 10.784 1.00 0.00 C ATOM 721 CG PRO A 49 -2.129 -7.525 10.390 1.00 0.00 C ATOM 722 CD PRO A 49 -3.509 -6.953 10.459 1.00 0.00 C ATOM 0 HA PRO A 49 -1.791 -4.320 11.031 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.233 -6.538 10.312 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.043 -6.415 11.861 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.904 -7.881 9.385 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.026 -8.378 11.060 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.179 -7.432 9.745 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.950 -7.084 11.447 1.00 0.00 H new ATOM 730 N LEU A 50 -1.801 -5.192 7.905 1.00 0.00 N ATOM 731 CA LEU A 50 -1.378 -4.758 6.581 1.00 0.00 C ATOM 732 C LEU A 50 -1.657 -3.292 6.399 1.00 0.00 C ATOM 733 O LEU A 50 -0.811 -2.545 5.934 1.00 0.00 O ATOM 734 CB LEU A 50 -2.103 -5.520 5.486 1.00 0.00 C ATOM 735 CG LEU A 50 -1.716 -6.978 5.296 1.00 0.00 C ATOM 736 CD1 LEU A 50 -1.355 -7.171 3.848 1.00 0.00 C ATOM 737 CD2 LEU A 50 -0.561 -7.396 6.195 1.00 0.00 C ATOM 0 H LEU A 50 -2.500 -5.935 7.901 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.308 -4.955 6.506 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.172 -5.476 5.692 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.938 -4.999 4.543 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.560 -7.609 5.576 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.072 -8.210 3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.213 -6.922 3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.519 -6.521 3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.325 -8.446 6.020 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.314 -6.785 5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.844 -7.257 7.239 1.00 0.00 H new ATOM 749 N ARG A 51 -2.852 -2.890 6.787 1.00 0.00 N ATOM 750 CA ARG A 51 -3.242 -1.495 6.715 1.00 0.00 C ATOM 751 C ARG A 51 -2.317 -0.644 7.560 1.00 0.00 C ATOM 752 O ARG A 51 -1.782 0.354 7.092 1.00 0.00 O ATOM 753 CB ARG A 51 -4.690 -1.344 7.161 1.00 0.00 C ATOM 754 CG ARG A 51 -5.107 0.071 7.516 1.00 0.00 C ATOM 755 CD ARG A 51 -6.399 0.091 8.322 1.00 0.00 C ATOM 756 NE ARG A 51 -7.496 -0.621 7.660 1.00 0.00 N ATOM 757 CZ ARG A 51 -8.759 -0.610 8.093 1.00 0.00 C ATOM 758 NH1 ARG A 51 -9.087 0.091 9.173 1.00 0.00 N ATOM 759 NH2 ARG A 51 -9.694 -1.293 7.445 1.00 0.00 N ATOM 0 H ARG A 51 -3.571 -3.512 7.156 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.160 -1.151 5.684 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.339 -1.709 6.366 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.856 -1.984 8.028 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.313 0.552 8.088 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.238 0.652 6.603 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.219 -0.358 9.299 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.697 1.125 8.496 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.282 -1.157 6.819 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.374 0.622 9.673 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.052 0.098 9.502 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.449 -1.829 6.613 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.658 -1.282 7.779 1.00 0.00 H new ATOM 773 N ALA A 52 -2.102 -1.070 8.790 1.00 0.00 N ATOM 774 CA ALA A 52 -1.235 -0.345 9.697 1.00 0.00 C ATOM 775 C ALA A 52 0.189 -0.239 9.143 1.00 0.00 C ATOM 776 O ALA A 52 0.752 0.857 9.080 1.00 0.00 O ATOM 777 CB ALA A 52 -1.233 -1.016 11.064 1.00 0.00 C ATOM 0 H ALA A 52 -2.516 -1.915 9.184 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.622 0.669 9.802 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.579 -0.464 11.739 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.246 -1.025 11.467 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.873 -2.040 10.966 1.00 0.00 H new ATOM 783 N TRP A 53 0.762 -1.362 8.698 1.00 0.00 N ATOM 784 CA TRP A 53 2.144 -1.353 8.233 1.00 0.00 C ATOM 785 C TRP A 53 2.259 -0.647 6.889 1.00 0.00 C ATOM 786 O TRP A 53 3.175 0.147 6.681 1.00 0.00 O ATOM 787 CB TRP A 53 2.756 -2.778 8.198 1.00 0.00 C ATOM 788 CG TRP A 53 2.582 -3.576 6.936 1.00 0.00 C ATOM 789 CD1 TRP A 53 1.747 -4.633 6.777 1.00 0.00 C ATOM 790 CD2 TRP A 53 3.288 -3.437 5.689 1.00 0.00 C ATOM 791 NE1 TRP A 53 1.846 -5.133 5.503 1.00 0.00 N ATOM 792 CE2 TRP A 53 2.786 -4.421 4.819 1.00 0.00 C ATOM 793 CE3 TRP A 53 4.276 -2.571 5.219 1.00 0.00 C ATOM 794 CZ2 TRP A 53 3.237 -4.565 3.513 1.00 0.00 C ATOM 795 CZ3 TRP A 53 4.724 -2.715 3.922 1.00 0.00 C ATOM 796 CH2 TRP A 53 4.204 -3.707 3.081 1.00 0.00 C ATOM 0 H TRP A 53 0.298 -2.269 8.652 1.00 0.00 H new ATOM 0 HA TRP A 53 2.732 -0.786 8.955 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.824 -2.690 8.396 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.325 -3.350 9.020 1.00 0.00 H new ATOM 0 HD1 TRP A 53 1.096 -5.026 7.544 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.304 -5.912 5.128 1.00 0.00 H new ATOM 0 HE3 TRP A 53 4.683 -1.802 5.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.836 -5.329 2.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.489 -2.051 3.549 1.00 0.00 H new ATOM 0 HH2 TRP A 53 4.576 -3.794 2.071 1.00 0.00 H new ATOM 807 N VAL A 54 1.315 -0.908 5.993 1.00 0.00 N ATOM 808 CA VAL A 54 1.385 -0.376 4.643 1.00 0.00 C ATOM 809 C VAL A 54 1.169 1.137 4.647 1.00 0.00 C ATOM 810 O VAL A 54 1.896 1.871 3.977 1.00 0.00 O ATOM 811 CB VAL A 54 0.385 -1.089 3.695 1.00 0.00 C ATOM 812 CG1 VAL A 54 -0.970 -0.404 3.656 1.00 0.00 C ATOM 813 CG2 VAL A 54 0.963 -1.212 2.296 1.00 0.00 C ATOM 0 H VAL A 54 0.494 -1.484 6.179 1.00 0.00 H new ATOM 0 HA VAL A 54 2.386 -0.573 4.258 1.00 0.00 H new ATOM 0 HB VAL A 54 0.225 -2.088 4.100 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.631 -0.944 2.978 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.403 -0.397 4.656 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.849 0.621 3.306 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.245 -1.715 1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.174 -0.218 1.901 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.886 -1.791 2.333 1.00 0.00 H new ATOM 823 N ILE A 55 0.191 1.604 5.425 1.00 0.00 N ATOM 824 CA ILE A 55 -0.062 3.030 5.550 1.00 0.00 C ATOM 825 C ILE A 55 1.122 3.749 6.184 1.00 0.00 C ATOM 826 O ILE A 55 1.557 4.783 5.683 1.00 0.00 O ATOM 827 CB ILE A 55 -1.345 3.295 6.361 1.00 0.00 C ATOM 828 CG1 ILE A 55 -2.560 2.822 5.566 1.00 0.00 C ATOM 829 CG2 ILE A 55 -1.481 4.770 6.720 1.00 0.00 C ATOM 830 CD1 ILE A 55 -3.864 2.979 6.308 1.00 0.00 C ATOM 0 H ILE A 55 -0.434 1.013 5.974 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.201 3.426 4.544 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.285 2.736 7.295 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.613 3.381 4.632 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.425 1.773 5.302 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.396 4.922 7.292 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.624 5.079 7.318 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.520 5.365 5.807 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.683 2.623 5.683 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.831 2.397 7.229 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.021 4.030 6.549 1.00 0.00 H new ATOM 842 N LYS A 56 1.660 3.200 7.268 1.00 0.00 N ATOM 843 CA LYS A 56 2.779 3.841 7.952 1.00 0.00 C ATOM 844 C LYS A 56 4.037 3.847 7.087 1.00 0.00 C ATOM 845 O LYS A 56 4.745 4.852 7.026 1.00 0.00 O ATOM 846 CB LYS A 56 3.056 3.170 9.295 1.00 0.00 C ATOM 847 CG LYS A 56 2.004 3.487 10.346 1.00 0.00 C ATOM 848 CD LYS A 56 2.345 2.866 11.689 1.00 0.00 C ATOM 849 CE LYS A 56 1.350 3.286 12.758 1.00 0.00 C ATOM 850 NZ LYS A 56 1.679 2.704 14.085 1.00 0.00 N ATOM 0 H LYS A 56 1.346 2.325 7.688 1.00 0.00 H new ATOM 0 HA LYS A 56 2.496 4.877 8.136 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.105 2.091 9.152 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.033 3.488 9.659 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.915 4.568 10.457 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.034 3.120 10.012 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.349 1.780 11.600 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.350 3.165 11.986 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.336 4.373 12.833 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.348 2.973 12.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.976 3.016 14.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.668 1.666 14.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.624 3.022 14.379 1.00 0.00 H new ATOM 864 N CYS A 57 4.309 2.740 6.407 1.00 0.00 N ATOM 865 CA CYS A 57 5.481 2.661 5.543 1.00 0.00 C ATOM 866 C CYS A 57 5.346 3.613 4.357 1.00 0.00 C ATOM 867 O CYS A 57 6.287 4.336 4.027 1.00 0.00 O ATOM 868 CB CYS A 57 5.709 1.228 5.060 1.00 0.00 C ATOM 869 SG CYS A 57 6.056 0.056 6.394 1.00 0.00 S ATOM 0 H CYS A 57 3.741 1.893 6.436 1.00 0.00 H new ATOM 0 HA CYS A 57 6.350 2.964 6.128 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.826 0.893 4.515 1.00 0.00 H new ATOM 0 HB3 CYS A 57 6.541 1.220 4.356 1.00 0.00 H new ATOM 0 HG CYS A 57 4.942 -0.295 6.964 1.00 0.00 H new ATOM 875 N ALA A 58 4.170 3.625 3.735 1.00 0.00 N ATOM 876 CA ALA A 58 3.900 4.536 2.628 1.00 0.00 C ATOM 877 C ALA A 58 3.934 5.988 3.099 1.00 0.00 C ATOM 878 O ALA A 58 4.389 6.872 2.378 1.00 0.00 O ATOM 879 CB ALA A 58 2.559 4.219 1.984 1.00 0.00 C ATOM 0 H ALA A 58 3.390 3.015 3.979 1.00 0.00 H new ATOM 0 HA ALA A 58 4.682 4.399 1.881 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.378 4.910 1.161 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.570 3.197 1.604 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.766 4.322 2.725 1.00 0.00 H new ATOM 885 N HIS A 59 3.453 6.218 4.318 1.00 0.00 N ATOM 886 CA HIS A 59 3.470 7.547 4.922 1.00 0.00 C ATOM 887 C HIS A 59 4.905 8.057 5.019 1.00 0.00 C ATOM 888 O HIS A 59 5.206 9.176 4.603 1.00 0.00 O ATOM 889 CB HIS A 59 2.830 7.496 6.317 1.00 0.00 C ATOM 890 CG HIS A 59 2.486 8.834 6.903 1.00 0.00 C ATOM 891 ND1 HIS A 59 1.950 8.983 8.164 1.00 0.00 N ATOM 892 CD2 HIS A 59 2.575 10.084 6.390 1.00 0.00 C ATOM 893 CE1 HIS A 59 1.720 10.260 8.397 1.00 0.00 C ATOM 894 NE2 HIS A 59 2.091 10.950 7.338 1.00 0.00 N ATOM 0 H HIS A 59 3.044 5.495 4.910 1.00 0.00 H new ATOM 0 HA HIS A 59 2.896 8.230 4.296 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.922 6.895 6.263 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.512 6.983 6.995 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.956 10.350 5.415 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.299 10.671 9.303 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.029 11.963 7.239 1.00 0.00 H new ATOM 903 N GLU A 60 5.784 7.217 5.553 1.00 0.00 N ATOM 904 CA GLU A 60 7.196 7.561 5.685 1.00 0.00 C ATOM 905 C GLU A 60 7.848 7.737 4.315 1.00 0.00 C ATOM 906 O GLU A 60 8.628 8.668 4.106 1.00 0.00 O ATOM 907 CB GLU A 60 7.933 6.481 6.479 1.00 0.00 C ATOM 908 CG GLU A 60 7.491 6.377 7.929 1.00 0.00 C ATOM 909 CD GLU A 60 7.766 7.643 8.713 1.00 0.00 C ATOM 910 OE1 GLU A 60 8.933 7.875 9.080 1.00 0.00 O ATOM 911 OE2 GLU A 60 6.818 8.419 8.960 1.00 0.00 O ATOM 0 H GLU A 60 5.543 6.290 5.903 1.00 0.00 H new ATOM 0 HA GLU A 60 7.263 8.508 6.221 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.780 5.518 5.992 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.003 6.687 6.449 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.424 6.156 7.965 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.006 5.541 8.403 1.00 0.00 H new ATOM 918 N ALA A 61 7.511 6.846 3.388 1.00 0.00 N ATOM 919 CA ALA A 61 8.079 6.874 2.045 1.00 0.00 C ATOM 920 C ALA A 61 7.675 8.140 1.300 1.00 0.00 C ATOM 921 O ALA A 61 8.485 8.751 0.603 1.00 0.00 O ATOM 922 CB ALA A 61 7.648 5.644 1.259 1.00 0.00 C ATOM 0 H ALA A 61 6.843 6.091 3.544 1.00 0.00 H new ATOM 0 HA ALA A 61 9.165 6.870 2.143 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.081 5.681 0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.993 4.746 1.771 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.561 5.623 1.183 1.00 0.00 H new ATOM 928 N LEU A 62 6.418 8.534 1.458 1.00 0.00 N ATOM 929 CA LEU A 62 5.896 9.709 0.783 1.00 0.00 C ATOM 930 C LEU A 62 6.509 10.984 1.347 1.00 0.00 C ATOM 931 O LEU A 62 6.954 11.840 0.596 1.00 0.00 O ATOM 932 CB LEU A 62 4.378 9.775 0.915 1.00 0.00 C ATOM 933 CG LEU A 62 3.723 10.951 0.195 1.00 0.00 C ATOM 934 CD1 LEU A 62 3.603 10.673 -1.291 1.00 0.00 C ATOM 935 CD2 LEU A 62 2.364 11.239 0.788 1.00 0.00 C ATOM 0 H LEU A 62 5.741 8.053 2.050 1.00 0.00 H new ATOM 0 HA LEU A 62 6.163 9.627 -0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.953 8.849 0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.121 9.826 1.973 1.00 0.00 H new ATOM 0 HG LEU A 62 4.355 11.829 0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.133 11.524 -1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.595 10.512 -1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.994 9.783 -1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.909 12.080 0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.728 10.360 0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.473 11.485 1.844 1.00 0.00 H new ATOM 947 N GLU A 63 6.540 11.098 2.670 1.00 0.00 N ATOM 948 CA GLU A 63 7.056 12.303 3.320 1.00 0.00 C ATOM 949 C GLU A 63 8.550 12.481 3.060 1.00 0.00 C ATOM 950 O GLU A 63 9.066 13.599 3.109 1.00 0.00 O ATOM 951 CB GLU A 63 6.794 12.282 4.827 1.00 0.00 C ATOM 952 CG GLU A 63 5.320 12.308 5.198 1.00 0.00 C ATOM 953 CD GLU A 63 5.104 12.616 6.667 1.00 0.00 C ATOM 954 OE1 GLU A 63 5.344 11.726 7.511 1.00 0.00 O ATOM 955 OE2 GLU A 63 4.702 13.755 6.985 1.00 0.00 O ATOM 0 H GLU A 63 6.216 10.376 3.313 1.00 0.00 H new ATOM 0 HA GLU A 63 6.523 13.148 2.885 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.250 11.388 5.252 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.288 13.140 5.283 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.808 13.056 4.593 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.870 11.344 4.961 1.00 0.00 H new ATOM 962 N LYS A 64 9.243 11.374 2.815 1.00 0.00 N ATOM 963 CA LYS A 64 10.665 11.416 2.492 1.00 0.00 C ATOM 964 C LYS A 64 10.884 12.210 1.210 1.00 0.00 C ATOM 965 O LYS A 64 11.803 13.028 1.107 1.00 0.00 O ATOM 966 CB LYS A 64 11.210 9.998 2.320 1.00 0.00 C ATOM 967 CG LYS A 64 12.712 9.937 2.076 1.00 0.00 C ATOM 968 CD LYS A 64 13.502 10.425 3.282 1.00 0.00 C ATOM 969 CE LYS A 64 13.290 9.527 4.490 1.00 0.00 C ATOM 970 NZ LYS A 64 14.003 10.029 5.691 1.00 0.00 N ATOM 0 H LYS A 64 8.843 10.436 2.834 1.00 0.00 H new ATOM 0 HA LYS A 64 11.195 11.902 3.311 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.973 9.418 3.212 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.697 9.521 1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.001 8.912 1.843 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.964 10.545 1.207 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.563 10.458 3.034 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.201 11.443 3.527 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.224 9.456 4.705 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.636 8.520 4.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.831 9.387 6.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.024 10.073 5.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.655 10.980 5.929 1.00 0.00 H new ATOM 984 N ASN A 65 10.014 11.970 0.245 1.00 0.00 N ATOM 985 CA ASN A 65 10.072 12.646 -1.036 1.00 0.00 C ATOM 986 C ASN A 65 8.659 13.007 -1.494 1.00 0.00 C ATOM 987 O ASN A 65 8.094 12.376 -2.387 1.00 0.00 O ATOM 988 CB ASN A 65 10.817 11.776 -2.071 1.00 0.00 C ATOM 989 CG ASN A 65 10.410 10.305 -2.076 1.00 0.00 C ATOM 990 OD1 ASN A 65 9.118 10.034 -2.071 1.00 0.00 O flip ATOM 991 ND2 ASN A 65 11.262 9.416 -2.125 1.00 0.00 N flip ATOM 0 H ASN A 65 9.248 11.301 0.329 1.00 0.00 H new ATOM 0 HA ASN A 65 10.635 13.574 -0.935 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.646 12.190 -3.065 1.00 0.00 H new ATOM 0 HB3 ASN A 65 11.888 11.842 -1.878 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.253 9.659 -2.127 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.976 8.438 -2.163 1.00 0.00 H new ATOM 998 N PRO A 66 8.068 14.046 -0.875 1.00 0.00 N ATOM 999 CA PRO A 66 6.659 14.409 -1.085 1.00 0.00 C ATOM 1000 C PRO A 66 6.417 15.077 -2.439 1.00 0.00 C ATOM 1001 O PRO A 66 5.766 16.117 -2.538 1.00 0.00 O ATOM 1002 CB PRO A 66 6.383 15.376 0.070 1.00 0.00 C ATOM 1003 CG PRO A 66 7.698 16.018 0.337 1.00 0.00 C ATOM 1004 CD PRO A 66 8.734 14.956 0.076 1.00 0.00 C ATOM 0 HA PRO A 66 6.002 13.539 -1.097 1.00 0.00 H new ATOM 0 HB2 PRO A 66 5.628 16.114 -0.201 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.012 14.849 0.949 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.851 16.881 -0.311 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.756 16.377 1.365 1.00 0.00 H new ATOM 0 HD2 PRO A 66 9.645 15.380 -0.346 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.018 14.439 0.993 1.00 0.00 H new ATOM 1012 N LYS A 67 6.962 14.458 -3.473 1.00 0.00 N ATOM 1013 CA LYS A 67 6.819 14.922 -4.842 1.00 0.00 C ATOM 1014 C LYS A 67 6.601 13.732 -5.767 1.00 0.00 C ATOM 1015 O LYS A 67 6.505 13.881 -6.985 1.00 0.00 O ATOM 1016 CB LYS A 67 8.067 15.702 -5.271 1.00 0.00 C ATOM 1017 CG LYS A 67 8.255 17.015 -4.522 1.00 0.00 C ATOM 1018 CD LYS A 67 9.484 17.775 -4.996 1.00 0.00 C ATOM 1019 CE LYS A 67 10.768 17.014 -4.710 1.00 0.00 C ATOM 1020 NZ LYS A 67 11.969 17.796 -5.096 1.00 0.00 N ATOM 0 H LYS A 67 7.522 13.610 -3.384 1.00 0.00 H new ATOM 0 HA LYS A 67 5.957 15.586 -4.904 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.946 15.077 -5.117 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.006 15.909 -6.339 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.371 17.638 -4.656 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.344 16.813 -3.455 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.404 17.962 -6.067 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.521 18.747 -4.504 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.818 16.771 -3.649 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.759 16.069 -5.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.825 17.244 -4.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.934 18.006 -6.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.991 18.686 -4.559 1.00 0.00 H new ATOM 1034 N ILE A 68 6.524 12.547 -5.172 1.00 0.00 N ATOM 1035 CA ILE A 68 6.304 11.324 -5.930 1.00 0.00 C ATOM 1036 C ILE A 68 4.820 11.096 -6.156 1.00 0.00 C ATOM 1037 O ILE A 68 3.984 11.885 -5.715 1.00 0.00 O ATOM 1038 CB ILE A 68 6.882 10.085 -5.218 1.00 0.00 C ATOM 1039 CG1 ILE A 68 6.269 9.927 -3.821 1.00 0.00 C ATOM 1040 CG2 ILE A 68 8.398 10.174 -5.148 1.00 0.00 C ATOM 1041 CD1 ILE A 68 6.493 8.561 -3.212 1.00 0.00 C ATOM 0 H ILE A 68 6.611 12.409 -4.165 1.00 0.00 H new ATOM 0 HA ILE A 68 6.819 11.454 -6.882 1.00 0.00 H new ATOM 0 HB ILE A 68 6.622 9.198 -5.796 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.692 10.684 -3.160 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.197 10.118 -3.880 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.791 9.292 -4.643 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.806 10.226 -6.157 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.685 11.068 -4.594 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.032 8.523 -2.225 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.046 7.800 -3.851 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.563 8.375 -3.120 1.00 0.00 H new ATOM 1053 N ARG A 69 4.501 10.000 -6.825 1.00 0.00 N ATOM 1054 CA ARG A 69 3.122 9.717 -7.199 1.00 0.00 C ATOM 1055 C ARG A 69 2.738 8.276 -6.900 1.00 0.00 C ATOM 1056 O ARG A 69 1.553 7.952 -6.839 1.00 0.00 O ATOM 1057 CB ARG A 69 2.895 10.009 -8.683 1.00 0.00 C ATOM 1058 CG ARG A 69 2.996 11.482 -9.038 1.00 0.00 C ATOM 1059 CD ARG A 69 2.657 11.715 -10.496 1.00 0.00 C ATOM 1060 NE ARG A 69 2.845 13.108 -10.889 1.00 0.00 N ATOM 1061 CZ ARG A 69 2.861 13.521 -12.153 1.00 0.00 C ATOM 1062 NH1 ARG A 69 2.645 12.657 -13.139 1.00 0.00 N ATOM 1063 NH2 ARG A 69 3.071 14.802 -12.430 1.00 0.00 N ATOM 0 H ARG A 69 5.174 9.293 -7.120 1.00 0.00 H new ATOM 0 HA ARG A 69 2.488 10.370 -6.599 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.626 9.452 -9.270 1.00 0.00 H new ATOM 0 HB3 ARG A 69 1.910 9.642 -8.970 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.319 12.059 -8.407 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.005 11.840 -8.834 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.282 11.076 -11.119 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.622 11.424 -10.678 1.00 0.00 H new ATOM 0 HE ARG A 69 2.971 13.803 -10.153 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.467 11.675 -12.927 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.658 12.975 -14.108 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.220 15.470 -11.673 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.083 15.119 -13.399 1.00 0.00 H new ATOM 1077 N GLU A 70 3.724 7.403 -6.750 1.00 0.00 N ATOM 1078 CA GLU A 70 3.458 6.015 -6.411 1.00 0.00 C ATOM 1079 C GLU A 70 4.724 5.297 -5.947 1.00 0.00 C ATOM 1080 O GLU A 70 5.841 5.691 -6.291 1.00 0.00 O ATOM 1081 CB GLU A 70 2.820 5.291 -7.598 1.00 0.00 C ATOM 1082 CG GLU A 70 3.635 5.369 -8.880 1.00 0.00 C ATOM 1083 CD GLU A 70 3.045 4.530 -9.992 1.00 0.00 C ATOM 1084 OE1 GLU A 70 2.117 5.009 -10.680 1.00 0.00 O ATOM 1085 OE2 GLU A 70 3.501 3.382 -10.178 1.00 0.00 O ATOM 0 H GLU A 70 4.712 7.632 -6.858 1.00 0.00 H new ATOM 0 HA GLU A 70 2.755 6.001 -5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.674 4.243 -7.336 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.832 5.715 -7.781 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.696 6.407 -9.206 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.654 5.037 -8.680 1.00 0.00 H new ATOM 1092 N VAL A 71 4.532 4.245 -5.162 1.00 0.00 N ATOM 1093 CA VAL A 71 5.622 3.467 -4.603 1.00 0.00 C ATOM 1094 C VAL A 71 5.417 1.986 -4.927 1.00 0.00 C ATOM 1095 O VAL A 71 4.283 1.533 -5.104 1.00 0.00 O ATOM 1096 CB VAL A 71 5.690 3.659 -3.064 1.00 0.00 C ATOM 1097 CG1 VAL A 71 6.805 2.834 -2.445 1.00 0.00 C ATOM 1098 CG2 VAL A 71 5.873 5.125 -2.716 1.00 0.00 C ATOM 0 H VAL A 71 3.607 3.908 -4.895 1.00 0.00 H new ATOM 0 HA VAL A 71 6.559 3.810 -5.042 1.00 0.00 H new ATOM 0 HB VAL A 71 4.744 3.310 -2.650 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.821 2.995 -1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.634 1.778 -2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.761 3.137 -2.871 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.918 5.239 -1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.799 5.491 -3.158 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.033 5.699 -3.106 1.00 0.00 H new ATOM 1108 N TYR A 72 6.508 1.241 -5.010 1.00 0.00 N ATOM 1109 CA TYR A 72 6.437 -0.191 -5.247 1.00 0.00 C ATOM 1110 C TYR A 72 6.855 -0.909 -3.993 1.00 0.00 C ATOM 1111 O TYR A 72 7.988 -0.782 -3.529 1.00 0.00 O ATOM 1112 CB TYR A 72 7.329 -0.593 -6.425 1.00 0.00 C ATOM 1113 CG TYR A 72 7.122 0.258 -7.656 1.00 0.00 C ATOM 1114 CD1 TYR A 72 6.120 -0.039 -8.570 1.00 0.00 C ATOM 1115 CD2 TYR A 72 7.927 1.363 -7.901 1.00 0.00 C ATOM 1116 CE1 TYR A 72 5.927 0.741 -9.692 1.00 0.00 C ATOM 1117 CE2 TYR A 72 7.740 2.148 -9.021 1.00 0.00 C ATOM 1118 CZ TYR A 72 6.739 1.834 -9.913 1.00 0.00 C ATOM 1119 OH TYR A 72 6.551 2.615 -11.030 1.00 0.00 O ATOM 0 H TYR A 72 7.456 1.606 -4.916 1.00 0.00 H new ATOM 0 HA TYR A 72 5.414 -0.467 -5.503 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.373 -0.527 -6.119 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.136 -1.636 -6.677 1.00 0.00 H new ATOM 0 HD1 TYR A 72 5.482 -0.894 -8.400 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.713 1.612 -7.203 1.00 0.00 H new ATOM 0 HE1 TYR A 72 5.144 0.497 -10.394 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.375 3.004 -9.197 1.00 0.00 H new ATOM 0 HH TYR A 72 5.652 3.005 -11.009 1.00 0.00 H new ATOM 1129 N LEU A 73 5.917 -1.640 -3.437 1.00 0.00 N ATOM 1130 CA LEU A 73 6.067 -2.167 -2.109 1.00 0.00 C ATOM 1131 C LEU A 73 5.815 -3.674 -2.077 1.00 0.00 C ATOM 1132 O LEU A 73 4.942 -4.182 -2.774 1.00 0.00 O ATOM 1133 CB LEU A 73 5.088 -1.418 -1.209 1.00 0.00 C ATOM 1134 CG LEU A 73 5.206 -1.700 0.270 1.00 0.00 C ATOM 1135 CD1 LEU A 73 6.619 -1.426 0.766 1.00 0.00 C ATOM 1136 CD2 LEU A 73 4.195 -0.865 1.042 1.00 0.00 C ATOM 0 H LEU A 73 5.037 -1.882 -3.892 1.00 0.00 H new ATOM 0 HA LEU A 73 7.088 -2.023 -1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.224 -0.348 -1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.074 -1.661 -1.526 1.00 0.00 H new ATOM 0 HG LEU A 73 4.992 -2.755 0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.677 -1.637 1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.322 -2.064 0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.871 -0.380 0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.288 -1.075 2.108 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.385 0.193 0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.187 -1.114 0.709 1.00 0.00 H new ATOM 1148 N LYS A 74 6.593 -4.387 -1.274 1.00 0.00 N ATOM 1149 CA LYS A 74 6.456 -5.833 -1.156 1.00 0.00 C ATOM 1150 C LYS A 74 6.287 -6.208 0.320 1.00 0.00 C ATOM 1151 O LYS A 74 7.084 -5.801 1.163 1.00 0.00 O ATOM 1152 CB LYS A 74 7.687 -6.517 -1.780 1.00 0.00 C ATOM 1153 CG LYS A 74 7.517 -8.011 -2.034 1.00 0.00 C ATOM 1154 CD LYS A 74 7.776 -8.830 -0.785 1.00 0.00 C ATOM 1155 CE LYS A 74 7.004 -10.128 -0.792 1.00 0.00 C ATOM 1156 NZ LYS A 74 7.216 -10.876 0.469 1.00 0.00 N ATOM 0 H LYS A 74 7.329 -3.986 -0.692 1.00 0.00 H new ATOM 0 HA LYS A 74 5.572 -6.175 -1.695 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.921 -6.025 -2.724 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.543 -6.368 -1.122 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.506 -8.206 -2.392 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.201 -8.325 -2.822 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.842 -9.042 -0.705 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.500 -8.248 0.094 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.942 -9.923 -0.924 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.318 -10.738 -1.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.467 -11.588 0.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.142 -11.349 0.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.189 -10.216 1.273 1.00 0.00 H new ATOM 1170 N PRO A 75 5.221 -6.973 0.649 1.00 0.00 N ATOM 1171 CA PRO A 75 4.865 -7.300 2.038 1.00 0.00 C ATOM 1172 C PRO A 75 5.909 -8.122 2.788 1.00 0.00 C ATOM 1173 O PRO A 75 6.856 -8.637 2.193 1.00 0.00 O ATOM 1174 CB PRO A 75 3.566 -8.095 1.921 1.00 0.00 C ATOM 1175 CG PRO A 75 3.506 -8.563 0.509 1.00 0.00 C ATOM 1176 CD PRO A 75 4.268 -7.558 -0.309 1.00 0.00 C ATOM 0 HA PRO A 75 4.782 -6.382 2.619 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.559 -8.937 2.613 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.704 -7.474 2.165 1.00 0.00 H new ATOM 0 HG2 PRO A 75 3.945 -9.556 0.411 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.473 -8.636 0.169 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.782 -8.031 -1.146 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.607 -6.800 -0.728 1.00 0.00 H new ATOM 1184 N ARG A 76 5.699 -8.276 4.087 1.00 0.00 N ATOM 1185 CA ARG A 76 6.720 -8.813 4.976 1.00 0.00 C ATOM 1186 C ARG A 76 7.023 -10.269 4.667 1.00 0.00 C ATOM 1187 O ARG A 76 8.154 -10.612 4.315 1.00 0.00 O ATOM 1188 CB ARG A 76 6.275 -8.695 6.430 1.00 0.00 C ATOM 1189 CG ARG A 76 5.298 -7.554 6.675 1.00 0.00 C ATOM 1190 CD ARG A 76 5.174 -7.215 8.149 1.00 0.00 C ATOM 1191 NE ARG A 76 6.403 -6.617 8.668 1.00 0.00 N ATOM 1192 CZ ARG A 76 6.451 -5.462 9.329 1.00 0.00 C ATOM 1193 NH1 ARG A 76 5.333 -4.804 9.611 1.00 0.00 N ATOM 1194 NH2 ARG A 76 7.617 -4.970 9.716 1.00 0.00 N ATOM 0 H ARG A 76 4.824 -8.035 4.552 1.00 0.00 H new ATOM 0 HA ARG A 76 7.626 -8.228 4.817 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.811 -9.632 6.737 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.153 -8.553 7.060 1.00 0.00 H new ATOM 0 HG2 ARG A 76 5.627 -6.671 6.127 1.00 0.00 H new ATOM 0 HG3 ARG A 76 4.318 -7.826 6.282 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.343 -6.525 8.296 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.942 -8.119 8.713 1.00 0.00 H new ATOM 0 HE ARG A 76 7.279 -7.116 8.514 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.431 -5.183 9.321 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.376 -3.920 10.118 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.478 -5.475 9.508 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.654 -4.085 10.222 1.00 0.00 H new ATOM 1208 N ALA A 77 6.007 -11.116 4.794 1.00 0.00 N ATOM 1209 CA ALA A 77 6.188 -12.552 4.660 1.00 0.00 C ATOM 1210 C ALA A 77 6.817 -12.907 3.326 1.00 0.00 C ATOM 1211 O ALA A 77 6.256 -12.643 2.267 1.00 0.00 O ATOM 1212 CB ALA A 77 4.865 -13.276 4.816 1.00 0.00 C ATOM 0 H ALA A 77 5.048 -10.829 4.990 1.00 0.00 H new ATOM 0 HA ALA A 77 6.863 -12.872 5.453 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.023 -14.349 4.712 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.448 -13.064 5.801 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.171 -12.936 4.047 1.00 0.00 H new ATOM 1218 N VAL A 78 7.990 -13.500 3.390 1.00 0.00 N ATOM 1219 CA VAL A 78 8.691 -13.944 2.193 1.00 0.00 C ATOM 1220 C VAL A 78 8.014 -15.191 1.617 1.00 0.00 C ATOM 1221 O VAL A 78 8.304 -15.617 0.500 1.00 0.00 O ATOM 1222 CB VAL A 78 10.181 -14.236 2.497 1.00 0.00 C ATOM 1223 CG1 VAL A 78 10.962 -14.524 1.222 1.00 0.00 C ATOM 1224 CG2 VAL A 78 10.806 -13.072 3.252 1.00 0.00 C ATOM 0 H VAL A 78 8.485 -13.689 4.262 1.00 0.00 H new ATOM 0 HA VAL A 78 8.646 -13.142 1.456 1.00 0.00 H new ATOM 0 HB VAL A 78 10.226 -15.127 3.123 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.004 -14.725 1.471 1.00 0.00 H new ATOM 0 HG12 VAL A 78 10.535 -15.393 0.722 1.00 0.00 H new ATOM 0 HG13 VAL A 78 10.907 -13.661 0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.853 -13.293 3.458 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.738 -12.168 2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.275 -12.921 4.192 1.00 0.00 H new ATOM 1234 N LYS A 79 7.081 -15.750 2.383 1.00 0.00 N ATOM 1235 CA LYS A 79 6.348 -16.950 1.984 1.00 0.00 C ATOM 1236 C LYS A 79 5.590 -16.747 0.670 1.00 0.00 C ATOM 1237 O LYS A 79 5.546 -17.645 -0.172 1.00 0.00 O ATOM 1238 CB LYS A 79 5.365 -17.352 3.084 1.00 0.00 C ATOM 1239 CG LYS A 79 6.037 -17.762 4.386 1.00 0.00 C ATOM 1240 CD LYS A 79 5.020 -18.089 5.471 1.00 0.00 C ATOM 1241 CE LYS A 79 4.080 -19.211 5.052 1.00 0.00 C ATOM 1242 NZ LYS A 79 4.810 -20.461 4.720 1.00 0.00 N ATOM 0 H LYS A 79 6.811 -15.385 3.297 1.00 0.00 H new ATOM 0 HA LYS A 79 7.079 -17.743 1.830 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.692 -16.517 3.280 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.752 -18.179 2.726 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.671 -18.631 4.209 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.687 -16.957 4.728 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.543 -18.376 6.383 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.439 -17.197 5.704 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.372 -19.409 5.857 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.499 -18.891 4.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.128 -21.228 4.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.378 -20.314 3.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.436 -20.718 5.510 1.00 0.00 H new ATOM 1256 N ASN A 80 5.001 -15.570 0.492 1.00 0.00 N ATOM 1257 CA ASN A 80 4.232 -15.286 -0.721 1.00 0.00 C ATOM 1258 C ASN A 80 5.143 -15.077 -1.923 1.00 0.00 C ATOM 1259 O ASN A 80 4.731 -15.288 -3.066 1.00 0.00 O ATOM 1260 CB ASN A 80 3.325 -14.079 -0.547 1.00 0.00 C ATOM 1261 CG ASN A 80 3.987 -12.991 0.242 1.00 0.00 C ATOM 1262 OD1 ASN A 80 4.819 -12.241 -0.269 1.00 0.00 O ATOM 1263 ND2 ASN A 80 3.602 -12.878 1.488 1.00 0.00 N ATOM 0 H ASN A 80 5.038 -14.802 1.162 1.00 0.00 H new ATOM 0 HA ASN A 80 3.607 -16.160 -0.903 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.040 -13.695 -1.527 1.00 0.00 H new ATOM 0 HB3 ASN A 80 2.407 -14.384 -0.045 1.00 0.00 H new ATOM 0 HD21 ASN A 80 3.995 -12.145 2.079 1.00 0.00 H new ATOM 0 HD22 ASN A 80 2.909 -13.523 1.868 1.00 0.00 H new ATOM 1270 N SER A 81 6.371 -14.628 -1.658 1.00 0.00 N ATOM 1271 CA SER A 81 7.417 -14.533 -2.674 1.00 0.00 C ATOM 1272 C SER A 81 7.195 -13.362 -3.633 1.00 0.00 C ATOM 1273 O SER A 81 7.969 -12.405 -3.639 1.00 0.00 O ATOM 1274 CB SER A 81 7.534 -15.847 -3.460 1.00 0.00 C ATOM 1275 OG SER A 81 7.725 -16.953 -2.589 1.00 0.00 O ATOM 0 H SER A 81 6.667 -14.320 -0.732 1.00 0.00 H new ATOM 0 HA SER A 81 8.352 -14.348 -2.146 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.633 -16.000 -4.054 1.00 0.00 H new ATOM 0 HB3 SER A 81 8.368 -15.783 -4.158 1.00 0.00 H new ATOM 0 HG SER A 81 7.794 -17.776 -3.116 1.00 0.00 H new ATOM 1281 N SER A 82 6.140 -13.423 -4.435 1.00 0.00 N ATOM 1282 CA SER A 82 5.974 -12.463 -5.515 1.00 0.00 C ATOM 1283 C SER A 82 4.625 -11.738 -5.479 1.00 0.00 C ATOM 1284 O SER A 82 4.128 -11.300 -6.516 1.00 0.00 O ATOM 1285 CB SER A 82 6.169 -13.168 -6.859 1.00 0.00 C ATOM 1286 OG SER A 82 7.430 -13.822 -6.909 1.00 0.00 O ATOM 0 H SER A 82 5.397 -14.117 -4.359 1.00 0.00 H new ATOM 0 HA SER A 82 6.734 -11.693 -5.381 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.371 -13.895 -7.012 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.099 -12.442 -7.669 1.00 0.00 H new ATOM 0 HG SER A 82 7.533 -14.268 -7.776 1.00 0.00 H new ATOM 1292 N VAL A 83 4.026 -11.601 -4.301 1.00 0.00 N ATOM 1293 CA VAL A 83 2.878 -10.712 -4.166 1.00 0.00 C ATOM 1294 C VAL A 83 3.390 -9.329 -3.795 1.00 0.00 C ATOM 1295 O VAL A 83 4.289 -9.193 -2.959 1.00 0.00 O ATOM 1296 CB VAL A 83 1.830 -11.194 -3.125 1.00 0.00 C ATOM 1297 CG1 VAL A 83 2.337 -11.042 -1.706 1.00 0.00 C ATOM 1298 CG2 VAL A 83 0.518 -10.439 -3.294 1.00 0.00 C ATOM 0 H VAL A 83 4.307 -12.081 -3.446 1.00 0.00 H new ATOM 0 HA VAL A 83 2.355 -10.700 -5.122 1.00 0.00 H new ATOM 0 HB VAL A 83 1.657 -12.255 -3.308 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.575 -11.390 -1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.243 -11.634 -1.578 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.558 -9.993 -1.509 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.202 -10.791 -2.556 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.691 -9.372 -3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.125 -10.612 -4.296 1.00 0.00 H new ATOM 1308 N GLN A 84 2.866 -8.308 -4.442 1.00 0.00 N ATOM 1309 CA GLN A 84 3.342 -6.959 -4.221 1.00 0.00 C ATOM 1310 C GLN A 84 2.186 -5.994 -4.070 1.00 0.00 C ATOM 1311 O GLN A 84 1.098 -6.217 -4.604 1.00 0.00 O ATOM 1312 CB GLN A 84 4.237 -6.514 -5.375 1.00 0.00 C ATOM 1313 CG GLN A 84 5.493 -7.352 -5.528 1.00 0.00 C ATOM 1314 CD GLN A 84 6.352 -6.900 -6.683 1.00 0.00 C ATOM 1315 OE1 GLN A 84 6.379 -5.718 -7.031 1.00 0.00 O ATOM 1316 NE2 GLN A 84 7.064 -7.836 -7.284 1.00 0.00 N ATOM 0 H GLN A 84 2.112 -8.387 -5.124 1.00 0.00 H new ATOM 0 HA GLN A 84 3.920 -6.956 -3.297 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.667 -6.556 -6.303 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.521 -5.473 -5.223 1.00 0.00 H new ATOM 0 HG2 GLN A 84 6.073 -7.303 -4.607 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.214 -8.396 -5.673 1.00 0.00 H new ATOM 0 HE21 GLN A 84 7.011 -8.803 -6.962 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.667 -7.592 -8.070 1.00 0.00 H new ATOM 1325 N PHE A 85 2.427 -4.928 -3.336 1.00 0.00 N ATOM 1326 CA PHE A 85 1.453 -3.877 -3.192 1.00 0.00 C ATOM 1327 C PHE A 85 1.911 -2.652 -3.953 1.00 0.00 C ATOM 1328 O PHE A 85 2.967 -2.078 -3.679 1.00 0.00 O ATOM 1329 CB PHE A 85 1.211 -3.528 -1.726 1.00 0.00 C ATOM 1330 CG PHE A 85 0.509 -4.617 -0.963 1.00 0.00 C ATOM 1331 CD1 PHE A 85 -0.814 -4.930 -1.243 1.00 0.00 C ATOM 1332 CD2 PHE A 85 1.167 -5.334 0.022 1.00 0.00 C ATOM 1333 CE1 PHE A 85 -1.464 -5.934 -0.553 1.00 0.00 C ATOM 1334 CE2 PHE A 85 0.519 -6.339 0.715 1.00 0.00 C ATOM 1335 CZ PHE A 85 -0.796 -6.640 0.427 1.00 0.00 C ATOM 0 H PHE A 85 3.297 -4.770 -2.828 1.00 0.00 H new ATOM 0 HA PHE A 85 0.508 -4.232 -3.604 1.00 0.00 H new ATOM 0 HB2 PHE A 85 2.167 -3.317 -1.247 1.00 0.00 H new ATOM 0 HB3 PHE A 85 0.618 -2.615 -1.670 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.341 -4.382 -2.010 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.197 -5.106 0.251 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.494 -6.167 -0.780 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.043 -6.889 1.483 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.302 -7.427 0.967 1.00 0.00 H new ATOM 1345 N HIS A 86 1.111 -2.266 -4.917 1.00 0.00 N ATOM 1346 CA HIS A 86 1.411 -1.118 -5.737 1.00 0.00 C ATOM 1347 C HIS A 86 0.718 0.088 -5.135 1.00 0.00 C ATOM 1348 O HIS A 86 -0.487 0.267 -5.295 1.00 0.00 O ATOM 1349 CB HIS A 86 0.936 -1.366 -7.174 1.00 0.00 C ATOM 1350 CG HIS A 86 1.432 -0.371 -8.177 1.00 0.00 C ATOM 1351 ND1 HIS A 86 0.799 -0.141 -9.379 1.00 0.00 N ATOM 1352 CD2 HIS A 86 2.520 0.433 -8.170 1.00 0.00 C ATOM 1353 CE1 HIS A 86 1.477 0.756 -10.065 1.00 0.00 C ATOM 1354 NE2 HIS A 86 2.524 1.123 -9.356 1.00 0.00 N ATOM 0 H HIS A 86 0.238 -2.736 -5.154 1.00 0.00 H new ATOM 0 HA HIS A 86 2.486 -0.939 -5.769 1.00 0.00 H new ATOM 0 HB2 HIS A 86 1.256 -2.362 -7.481 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -0.154 -1.363 -7.188 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -0.060 -0.595 -9.689 1.00 0.00 H new ATOM 0 HD2 HIS A 86 3.250 0.516 -7.378 1.00 0.00 H new ATOM 0 HE1 HIS A 86 1.218 1.128 -11.045 1.00 0.00 H new ATOM 0 HE2 HIS A 86 3.224 1.808 -9.642 1.00 0.00 H new ATOM 1363 N VAL A 87 1.477 0.910 -4.439 1.00 0.00 N ATOM 1364 CA VAL A 87 0.902 2.027 -3.719 1.00 0.00 C ATOM 1365 C VAL A 87 0.891 3.254 -4.605 1.00 0.00 C ATOM 1366 O VAL A 87 1.936 3.790 -4.950 1.00 0.00 O ATOM 1367 CB VAL A 87 1.688 2.327 -2.424 1.00 0.00 C ATOM 1368 CG1 VAL A 87 1.064 3.489 -1.671 1.00 0.00 C ATOM 1369 CG2 VAL A 87 1.756 1.092 -1.540 1.00 0.00 C ATOM 0 H VAL A 87 2.490 0.826 -4.357 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.118 1.762 -3.442 1.00 0.00 H new ATOM 0 HB VAL A 87 2.704 2.607 -2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.634 3.682 -0.762 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.074 4.378 -2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.035 3.242 -1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.314 1.324 -0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.746 0.778 -1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.257 0.287 -2.078 1.00 0.00 H new ATOM 1379 N ILE A 88 -0.296 3.683 -4.980 1.00 0.00 N ATOM 1380 CA ILE A 88 -0.449 4.808 -5.874 1.00 0.00 C ATOM 1381 C ILE A 88 -1.100 5.974 -5.155 1.00 0.00 C ATOM 1382 O ILE A 88 -2.027 5.794 -4.363 1.00 0.00 O ATOM 1383 CB ILE A 88 -1.277 4.414 -7.108 1.00 0.00 C ATOM 1384 CG1 ILE A 88 -0.564 3.293 -7.866 1.00 0.00 C ATOM 1385 CG2 ILE A 88 -1.505 5.616 -8.012 1.00 0.00 C ATOM 1386 CD1 ILE A 88 -1.382 2.705 -8.988 1.00 0.00 C ATOM 0 H ILE A 88 -1.175 3.264 -4.676 1.00 0.00 H new ATOM 0 HA ILE A 88 0.543 5.114 -6.208 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.253 4.056 -6.780 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.371 3.679 -8.273 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.303 2.501 -7.164 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.093 5.313 -8.878 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.041 6.389 -7.461 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.544 6.008 -8.345 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.812 1.917 -9.479 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.305 2.288 -8.585 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.621 3.485 -9.711 1.00 0.00 H new ATOM 1398 N PHE A 89 -0.600 7.162 -5.428 1.00 0.00 N ATOM 1399 CA PHE A 89 -1.051 8.354 -4.753 1.00 0.00 C ATOM 1400 C PHE A 89 -1.894 9.223 -5.675 1.00 0.00 C ATOM 1401 O PHE A 89 -1.371 9.858 -6.590 1.00 0.00 O ATOM 1402 CB PHE A 89 0.157 9.126 -4.254 1.00 0.00 C ATOM 1403 CG PHE A 89 0.862 8.380 -3.180 1.00 0.00 C ATOM 1404 CD1 PHE A 89 0.188 8.052 -2.022 1.00 0.00 C ATOM 1405 CD2 PHE A 89 2.174 7.971 -3.334 1.00 0.00 C ATOM 1406 CE1 PHE A 89 0.803 7.327 -1.036 1.00 0.00 C ATOM 1407 CE2 PHE A 89 2.800 7.250 -2.341 1.00 0.00 C ATOM 1408 CZ PHE A 89 2.106 6.928 -1.192 1.00 0.00 C ATOM 0 H PHE A 89 0.129 7.324 -6.123 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.679 8.067 -3.909 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.841 9.311 -5.082 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.159 10.099 -3.878 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.836 8.370 -1.891 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.711 8.218 -4.238 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.263 7.070 -0.137 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.827 6.939 -2.461 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.591 6.359 -0.412 1.00 0.00 H new ATOM 1418 N ASP A 90 -3.198 9.241 -5.444 1.00 0.00 N ATOM 1419 CA ASP A 90 -4.094 10.088 -6.224 1.00 0.00 C ATOM 1420 C ASP A 90 -4.171 11.468 -5.604 1.00 0.00 C ATOM 1421 O ASP A 90 -4.446 11.605 -4.412 1.00 0.00 O ATOM 1422 CB ASP A 90 -5.506 9.500 -6.315 1.00 0.00 C ATOM 1423 CG ASP A 90 -5.562 8.202 -7.095 1.00 0.00 C ATOM 1424 OD1 ASP A 90 -5.304 8.225 -8.320 1.00 0.00 O ATOM 1425 OD2 ASP A 90 -5.876 7.155 -6.492 1.00 0.00 O ATOM 0 H ASP A 90 -3.660 8.682 -4.727 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.685 10.149 -7.233 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.887 9.328 -5.308 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.166 10.228 -6.786 1.00 0.00 H new ATOM 1430 N GLU A 91 -3.931 12.489 -6.408 1.00 0.00 N ATOM 1431 CA GLU A 91 -3.985 13.858 -5.927 1.00 0.00 C ATOM 1432 C GLU A 91 -5.416 14.360 -5.932 1.00 0.00 C ATOM 1433 O GLU A 91 -6.036 14.486 -6.990 1.00 0.00 O ATOM 1434 CB GLU A 91 -3.126 14.772 -6.798 1.00 0.00 C ATOM 1435 CG GLU A 91 -1.646 14.457 -6.748 1.00 0.00 C ATOM 1436 CD GLU A 91 -0.843 15.377 -7.640 1.00 0.00 C ATOM 1437 OE1 GLU A 91 -0.859 16.601 -7.400 1.00 0.00 O ATOM 1438 OE2 GLU A 91 -0.196 14.884 -8.584 1.00 0.00 O ATOM 0 H GLU A 91 -3.697 12.396 -7.396 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.598 13.873 -4.908 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -3.468 14.699 -7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.278 15.805 -6.484 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.291 14.545 -5.721 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.484 13.423 -7.053 1.00 0.00 H new