USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 600 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 50 THR OG1 : rot -110:sc= 0.829 USER MOD Set 1.2: A 54 ASN : amide:sc= -4.58! C(o=-4.4!,f=-7.5!) USER MOD Set 1.3: A 69 CYS SG : rot 135:sc= -0.624! USER MOD Set 2.1: A 52 SER OG : rot 180:sc= 0.738 USER MOD Set 2.2: A 70 THR OG1 : rot 25:sc= 0.768 USER MOD Set 3.1: A 18 TYR OH : rot 180:sc= 0.328 USER MOD Set 3.2: A 71 LYS NZ :NH3+ -179:sc= 0.155 (180deg=-0.173) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0439 USER MOD Single : A 8 SER OG : rot 180:sc= 0.118 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0775 USER MOD Single : A 16 LYS NZ :NH3+ -150:sc= 2.32 (180deg=1.4) USER MOD Single : A 17 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0865) USER MOD Single : A 19 ASN : amide:sc= -0.151 K(o=-0.15,f=-5.2!) USER MOD Single : A 24 LYS NZ :NH3+ 159:sc= -1.11 (180deg=-1.84!) USER MOD Single : A 25 SER OG : rot -150:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -3.16! C(o=-3.2!,f=-6!) USER MOD Single : A 27 LYS NZ :NH3+ 146:sc= 2.03 (180deg=1.05) USER MOD Single : A 32 SER OG : rot -53:sc= 1.25 USER MOD Single : A 33 LYS NZ :NH3+ 167:sc= 0.693 (180deg=0.643) USER MOD Single : A 38 SER OG : rot -82:sc= 0.716 USER MOD Single : A 39 ASN : amide:sc= 1.24 K(o=1.2,f=-0.12) USER MOD Single : A 42 SER OG : rot 60:sc= 1.08 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.645 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 180:sc=-0.00385 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0.911 K(o=0.91,f=-10!) USER MOD Single : A 61 MET CE :methyl -137:sc= -0.09 (180deg=-0.531) USER MOD Single : A 62 ASN : amide:sc= -0.502 K(o=-0.5,f=-3.7!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN :FLIP amide:sc= -0.945 F(o=-5.6!,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 3 -20.109 -1.510 5.567 1.00 0.00 N ATOM 39 CA LYS A 3 -18.772 -1.092 5.185 1.00 0.00 C ATOM 40 C LYS A 3 -17.737 -1.806 6.033 1.00 0.00 C ATOM 41 O LYS A 3 -17.948 -2.026 7.226 1.00 0.00 O ATOM 42 CB LYS A 3 -18.616 0.423 5.325 1.00 0.00 C ATOM 43 CG LYS A 3 -19.450 1.212 4.336 1.00 0.00 C ATOM 44 CD LYS A 3 -19.085 2.681 4.357 1.00 0.00 C ATOM 45 CE LYS A 3 -19.819 3.450 3.275 1.00 0.00 C ATOM 46 NZ LYS A 3 -19.464 4.891 3.290 1.00 0.00 N ATOM 0 HA LYS A 3 -18.616 -1.357 4.139 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -18.894 0.717 6.337 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.566 0.686 5.193 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -19.302 0.813 3.333 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -20.507 1.094 4.573 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -19.326 3.103 5.333 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.010 2.792 4.218 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -19.579 3.026 2.300 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -20.894 3.338 3.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -19.985 5.385 2.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -19.716 5.301 4.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -18.442 4.998 3.132 1.00 0.00 H new ATOM 60 N ASP A 4 -16.630 -2.176 5.410 1.00 0.00 N ATOM 61 CA ASP A 4 -15.574 -2.911 6.096 1.00 0.00 C ATOM 62 C ASP A 4 -14.210 -2.404 5.636 1.00 0.00 C ATOM 63 O ASP A 4 -14.088 -1.866 4.540 1.00 0.00 O ATOM 64 CB ASP A 4 -15.714 -4.411 5.810 1.00 0.00 C ATOM 65 CG ASP A 4 -14.940 -5.274 6.787 1.00 0.00 C ATOM 66 OD1 ASP A 4 -15.401 -5.429 7.939 1.00 0.00 O ATOM 67 OD2 ASP A 4 -13.886 -5.822 6.408 1.00 0.00 O ATOM 0 H ASP A 4 -16.437 -1.980 4.428 1.00 0.00 H new ATOM 0 HA ASP A 4 -15.662 -2.752 7.171 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -16.768 -4.686 5.847 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -15.366 -4.616 4.798 1.00 0.00 H new ATOM 72 N ILE A 5 -13.202 -2.549 6.486 1.00 0.00 N ATOM 73 CA ILE A 5 -11.847 -2.117 6.150 1.00 0.00 C ATOM 74 C ILE A 5 -11.284 -2.935 4.990 1.00 0.00 C ATOM 75 O ILE A 5 -11.068 -4.141 5.108 1.00 0.00 O ATOM 76 CB ILE A 5 -10.898 -2.235 7.366 1.00 0.00 C ATOM 77 CG1 ILE A 5 -11.328 -1.277 8.479 1.00 0.00 C ATOM 78 CG2 ILE A 5 -9.456 -1.958 6.956 1.00 0.00 C ATOM 79 CD1 ILE A 5 -11.275 0.183 8.083 1.00 0.00 C ATOM 0 H ILE A 5 -13.295 -2.962 7.414 1.00 0.00 H new ATOM 0 HA ILE A 5 -11.910 -1.070 5.854 1.00 0.00 H new ATOM 0 HB ILE A 5 -10.957 -3.256 7.744 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -12.344 -1.524 8.786 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -10.687 -1.432 9.347 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.807 -2.047 7.827 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -9.148 -2.679 6.199 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.381 -0.950 6.549 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -11.594 0.800 8.923 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -10.255 0.448 7.805 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -11.938 0.354 7.235 1.00 0.00 H new ATOM 91 N PHE A 6 -11.058 -2.269 3.867 1.00 0.00 N ATOM 92 CA PHE A 6 -10.480 -2.917 2.701 1.00 0.00 C ATOM 93 C PHE A 6 -8.967 -3.039 2.856 1.00 0.00 C ATOM 94 O PHE A 6 -8.309 -2.138 3.382 1.00 0.00 O ATOM 95 CB PHE A 6 -10.825 -2.138 1.426 1.00 0.00 C ATOM 96 CG PHE A 6 -10.264 -2.742 0.167 1.00 0.00 C ATOM 97 CD1 PHE A 6 -10.695 -3.983 -0.278 1.00 0.00 C ATOM 98 CD2 PHE A 6 -9.307 -2.066 -0.575 1.00 0.00 C ATOM 99 CE1 PHE A 6 -10.182 -4.537 -1.436 1.00 0.00 C ATOM 100 CE2 PHE A 6 -8.792 -2.614 -1.734 1.00 0.00 C ATOM 101 CZ PHE A 6 -9.229 -3.852 -2.165 1.00 0.00 C ATOM 0 H PHE A 6 -11.267 -1.279 3.739 1.00 0.00 H new ATOM 0 HA PHE A 6 -10.903 -3.918 2.618 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -11.909 -2.074 1.334 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -10.453 -1.118 1.524 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -11.440 -4.523 0.287 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -8.960 -1.099 -0.243 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -10.526 -5.505 -1.771 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -8.049 -2.075 -2.303 1.00 0.00 H new ATOM 0 HZ PHE A 6 -8.827 -4.283 -3.070 1.00 0.00 H new ATOM 111 N THR A 7 -8.427 -4.169 2.422 1.00 0.00 N ATOM 112 CA THR A 7 -6.996 -4.416 2.481 1.00 0.00 C ATOM 113 C THR A 7 -6.582 -5.356 1.349 1.00 0.00 C ATOM 114 O THR A 7 -7.238 -6.367 1.100 1.00 0.00 O ATOM 115 CB THR A 7 -6.596 -5.025 3.843 1.00 0.00 C ATOM 116 OG1 THR A 7 -7.020 -4.157 4.907 1.00 0.00 O ATOM 117 CG2 THR A 7 -5.091 -5.238 3.937 1.00 0.00 C ATOM 0 H THR A 7 -8.967 -4.936 2.021 1.00 0.00 H new ATOM 0 HA THR A 7 -6.480 -3.463 2.367 1.00 0.00 H new ATOM 0 HB THR A 7 -7.086 -5.994 3.933 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.766 -4.548 5.769 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.844 -5.668 4.908 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.770 -5.917 3.147 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.580 -4.282 3.823 1.00 0.00 H new ATOM 125 N SER A 8 -5.509 -5.005 0.655 1.00 0.00 N ATOM 126 CA SER A 8 -5.014 -5.803 -0.457 1.00 0.00 C ATOM 127 C SER A 8 -3.501 -5.632 -0.565 1.00 0.00 C ATOM 128 O SER A 8 -2.885 -5.012 0.298 1.00 0.00 O ATOM 129 CB SER A 8 -5.698 -5.370 -1.759 1.00 0.00 C ATOM 130 OG SER A 8 -5.436 -6.283 -2.817 1.00 0.00 O ATOM 0 H SER A 8 -4.961 -4.166 0.845 1.00 0.00 H new ATOM 0 HA SER A 8 -5.243 -6.854 -0.283 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.774 -5.297 -1.599 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.350 -4.376 -2.041 1.00 0.00 H new ATOM 0 HG SER A 8 -5.888 -5.978 -3.631 1.00 0.00 H new ATOM 136 N VAL A 9 -2.906 -6.174 -1.614 1.00 0.00 N ATOM 137 CA VAL A 9 -1.473 -6.039 -1.832 1.00 0.00 C ATOM 138 C VAL A 9 -1.199 -5.456 -3.211 1.00 0.00 C ATOM 139 O VAL A 9 -1.854 -5.819 -4.189 1.00 0.00 O ATOM 140 CB VAL A 9 -0.729 -7.388 -1.680 1.00 0.00 C ATOM 141 CG1 VAL A 9 -0.754 -7.857 -0.233 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.330 -8.448 -2.594 1.00 0.00 C ATOM 0 H VAL A 9 -3.393 -6.713 -2.330 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.096 -5.362 -1.065 1.00 0.00 H new ATOM 0 HB VAL A 9 0.309 -7.233 -1.974 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.226 -8.807 -0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.267 -7.114 0.399 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.787 -7.987 0.090 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.789 -9.386 -2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.379 -8.597 -2.338 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.252 -8.121 -3.631 1.00 0.00 H new ATOM 152 N VAL A 10 -0.248 -4.541 -3.282 1.00 0.00 N ATOM 153 CA VAL A 10 0.117 -3.924 -4.546 1.00 0.00 C ATOM 154 C VAL A 10 1.579 -4.218 -4.864 1.00 0.00 C ATOM 155 O VAL A 10 2.398 -4.389 -3.956 1.00 0.00 O ATOM 156 CB VAL A 10 -0.135 -2.396 -4.528 1.00 0.00 C ATOM 157 CG1 VAL A 10 0.760 -1.700 -3.515 1.00 0.00 C ATOM 158 CG2 VAL A 10 0.052 -1.797 -5.912 1.00 0.00 C ATOM 0 H VAL A 10 0.286 -4.208 -2.479 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.514 -4.352 -5.325 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.170 -2.237 -4.225 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.559 -0.629 -3.527 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.559 -2.096 -2.519 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.805 -1.876 -3.771 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.131 -0.723 -5.871 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.071 -1.979 -6.253 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.650 -2.259 -6.606 1.00 0.00 H new ATOM 168 N ARG A 11 1.898 -4.296 -6.147 1.00 0.00 N ATOM 169 CA ARG A 11 3.247 -4.614 -6.580 1.00 0.00 C ATOM 170 C ARG A 11 4.122 -3.372 -6.576 1.00 0.00 C ATOM 171 O ARG A 11 3.876 -2.415 -7.314 1.00 0.00 O ATOM 172 CB ARG A 11 3.230 -5.254 -7.968 1.00 0.00 C ATOM 173 CG ARG A 11 2.420 -6.536 -8.015 1.00 0.00 C ATOM 174 CD ARG A 11 2.509 -7.218 -9.366 1.00 0.00 C ATOM 175 NE ARG A 11 1.722 -8.446 -9.392 1.00 0.00 N ATOM 176 CZ ARG A 11 2.225 -9.647 -9.665 1.00 0.00 C ATOM 177 NH1 ARG A 11 3.496 -9.772 -10.022 1.00 0.00 N ATOM 178 NH2 ARG A 11 1.449 -10.718 -9.606 1.00 0.00 N ATOM 0 H ARG A 11 1.237 -4.142 -6.908 1.00 0.00 H new ATOM 0 HA ARG A 11 3.669 -5.331 -5.876 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.819 -4.544 -8.685 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.253 -5.465 -8.278 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.775 -7.217 -7.242 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.377 -6.314 -7.790 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.155 -6.540 -10.142 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.550 -7.446 -9.593 1.00 0.00 H new ATOM 0 HE ARG A 11 0.725 -8.380 -9.188 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.091 -8.946 -10.088 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.879 -10.694 -10.231 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.466 -10.622 -9.351 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.834 -11.639 -9.815 1.00 0.00 H new ATOM 192 N VAL A 12 5.141 -3.399 -5.738 1.00 0.00 N ATOM 193 CA VAL A 12 6.048 -2.280 -5.588 1.00 0.00 C ATOM 194 C VAL A 12 7.185 -2.395 -6.592 1.00 0.00 C ATOM 195 O VAL A 12 7.730 -3.478 -6.809 1.00 0.00 O ATOM 196 CB VAL A 12 6.627 -2.217 -4.160 1.00 0.00 C ATOM 197 CG1 VAL A 12 7.412 -0.938 -3.941 1.00 0.00 C ATOM 198 CG2 VAL A 12 5.518 -2.334 -3.135 1.00 0.00 C ATOM 0 H VAL A 12 5.362 -4.197 -5.143 1.00 0.00 H new ATOM 0 HA VAL A 12 5.485 -1.365 -5.772 1.00 0.00 H new ATOM 0 HB VAL A 12 7.311 -3.057 -4.039 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.807 -0.923 -2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.237 -0.891 -4.652 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.757 -0.079 -4.088 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.943 -2.288 -2.132 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.812 -1.514 -3.268 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.000 -3.284 -3.266 1.00 0.00 H new ATOM 208 N ARG A 13 7.536 -1.283 -7.200 1.00 0.00 N ATOM 209 CA ARG A 13 8.582 -1.249 -8.201 1.00 0.00 C ATOM 210 C ARG A 13 9.898 -0.777 -7.580 1.00 0.00 C ATOM 211 O ARG A 13 9.898 -0.050 -6.590 1.00 0.00 O ATOM 212 CB ARG A 13 8.142 -0.336 -9.351 1.00 0.00 C ATOM 213 CG ARG A 13 9.187 -0.139 -10.432 1.00 0.00 C ATOM 214 CD ARG A 13 8.580 0.470 -11.685 1.00 0.00 C ATOM 215 NE ARG A 13 7.777 1.665 -11.404 1.00 0.00 N ATOM 216 CZ ARG A 13 8.226 2.914 -11.532 1.00 0.00 C ATOM 217 NH1 ARG A 13 9.510 3.138 -11.782 1.00 0.00 N ATOM 218 NH2 ARG A 13 7.394 3.937 -11.384 1.00 0.00 N ATOM 0 H ARG A 13 7.105 -0.377 -7.015 1.00 0.00 H new ATOM 0 HA ARG A 13 8.752 -2.251 -8.596 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.242 -0.752 -9.804 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.872 0.638 -8.942 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.981 0.508 -10.059 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.645 -1.097 -10.676 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.378 0.729 -12.381 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.955 -0.274 -12.179 1.00 0.00 H new ATOM 0 HE ARG A 13 6.815 1.532 -11.091 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.155 2.354 -11.877 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.851 4.094 -11.880 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.411 3.768 -11.172 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.738 4.892 -11.482 1.00 0.00 H new ATOM 232 N GLY A 14 11.012 -1.243 -8.125 1.00 0.00 N ATOM 233 CA GLY A 14 12.310 -0.808 -7.648 1.00 0.00 C ATOM 234 C GLY A 14 13.165 -1.964 -7.171 1.00 0.00 C ATOM 235 O GLY A 14 12.670 -3.080 -7.019 1.00 0.00 O ATOM 0 H GLY A 14 11.041 -1.916 -8.891 1.00 0.00 H new ATOM 0 HA2 GLY A 14 12.830 -0.280 -8.447 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.175 -0.098 -6.832 1.00 0.00 H new ATOM 239 N SER A 15 14.439 -1.686 -6.917 1.00 0.00 N ATOM 240 CA SER A 15 15.398 -2.703 -6.495 1.00 0.00 C ATOM 241 C SER A 15 15.480 -2.806 -4.968 1.00 0.00 C ATOM 242 O SER A 15 16.502 -3.203 -4.409 1.00 0.00 O ATOM 243 CB SER A 15 16.765 -2.366 -7.091 1.00 0.00 C ATOM 244 OG SER A 15 16.896 -0.963 -7.276 1.00 0.00 O ATOM 0 H SER A 15 14.837 -0.750 -6.997 1.00 0.00 H new ATOM 0 HA SER A 15 15.065 -3.675 -6.858 1.00 0.00 H new ATOM 0 HB2 SER A 15 17.554 -2.727 -6.432 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.888 -2.878 -8.046 1.00 0.00 H new ATOM 0 HG SER A 15 17.777 -0.764 -7.656 1.00 0.00 H new ATOM 250 N LYS A 16 14.388 -2.455 -4.307 1.00 0.00 N ATOM 251 CA LYS A 16 14.279 -2.573 -2.853 1.00 0.00 C ATOM 252 C LYS A 16 14.187 -4.045 -2.440 1.00 0.00 C ATOM 253 O LYS A 16 14.061 -4.929 -3.289 1.00 0.00 O ATOM 254 CB LYS A 16 13.067 -1.767 -2.333 1.00 0.00 C ATOM 255 CG LYS A 16 11.679 -2.331 -2.675 1.00 0.00 C ATOM 256 CD LYS A 16 11.589 -2.810 -4.117 1.00 0.00 C ATOM 257 CE LYS A 16 10.178 -3.165 -4.542 1.00 0.00 C ATOM 258 NZ LYS A 16 10.182 -3.914 -5.832 1.00 0.00 N ATOM 0 H LYS A 16 13.553 -2.081 -4.757 1.00 0.00 H new ATOM 0 HA LYS A 16 15.178 -2.154 -2.400 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.147 -1.689 -1.249 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.133 -0.754 -2.731 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.451 -3.159 -2.004 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.925 -1.563 -2.502 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.975 -2.032 -4.776 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.230 -3.682 -4.244 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.702 -3.768 -3.769 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.586 -2.256 -4.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.303 -3.715 -6.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.998 -3.616 -6.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.248 -4.934 -5.641 1.00 0.00 H new ATOM 272 N LYS A 17 14.226 -4.307 -1.141 1.00 0.00 N ATOM 273 CA LYS A 17 14.306 -5.681 -0.641 1.00 0.00 C ATOM 274 C LYS A 17 12.929 -6.331 -0.503 1.00 0.00 C ATOM 275 O LYS A 17 12.744 -7.262 0.285 1.00 0.00 O ATOM 276 CB LYS A 17 15.049 -5.711 0.694 1.00 0.00 C ATOM 277 CG LYS A 17 16.518 -5.347 0.563 1.00 0.00 C ATOM 278 CD LYS A 17 17.255 -5.484 1.882 1.00 0.00 C ATOM 279 CE LYS A 17 18.748 -5.238 1.716 1.00 0.00 C ATOM 280 NZ LYS A 17 19.038 -3.860 1.237 1.00 0.00 N ATOM 0 H LYS A 17 14.204 -3.593 -0.413 1.00 0.00 H new ATOM 0 HA LYS A 17 14.860 -6.264 -1.376 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.569 -5.019 1.386 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.964 -6.707 1.129 1.00 0.00 H new ATOM 0 HG2 LYS A 17 16.986 -5.990 -0.183 1.00 0.00 H new ATOM 0 HG3 LYS A 17 16.607 -4.322 0.202 1.00 0.00 H new ATOM 0 HD2 LYS A 17 16.847 -4.776 2.603 1.00 0.00 H new ATOM 0 HD3 LYS A 17 17.093 -6.482 2.288 1.00 0.00 H new ATOM 0 HE2 LYS A 17 19.250 -5.403 2.669 1.00 0.00 H new ATOM 0 HE3 LYS A 17 19.158 -5.960 1.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 20.064 -3.691 1.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 18.698 -3.753 0.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 18.555 -3.171 1.849 1.00 0.00 H new ATOM 294 N TYR A 18 11.978 -5.866 -1.296 1.00 0.00 N ATOM 295 CA TYR A 18 10.650 -6.463 -1.336 1.00 0.00 C ATOM 296 C TYR A 18 10.078 -6.406 -2.740 1.00 0.00 C ATOM 297 O TYR A 18 10.728 -5.918 -3.663 1.00 0.00 O ATOM 298 CB TYR A 18 9.696 -5.777 -0.354 1.00 0.00 C ATOM 299 CG TYR A 18 9.582 -6.488 0.976 1.00 0.00 C ATOM 300 CD1 TYR A 18 9.207 -7.826 1.039 1.00 0.00 C ATOM 301 CD2 TYR A 18 9.834 -5.823 2.166 1.00 0.00 C ATOM 302 CE1 TYR A 18 9.086 -8.477 2.252 1.00 0.00 C ATOM 303 CE2 TYR A 18 9.720 -6.469 3.382 1.00 0.00 C ATOM 304 CZ TYR A 18 9.346 -7.794 3.421 1.00 0.00 C ATOM 305 OH TYR A 18 9.213 -8.431 4.633 1.00 0.00 O ATOM 0 H TYR A 18 12.101 -5.072 -1.925 1.00 0.00 H new ATOM 0 HA TYR A 18 10.753 -7.506 -1.037 1.00 0.00 H new ATOM 0 HB2 TYR A 18 10.037 -4.756 -0.183 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.707 -5.711 -0.807 1.00 0.00 H new ATOM 0 HD1 TYR A 18 9.007 -8.365 0.125 1.00 0.00 H new ATOM 0 HD2 TYR A 18 10.124 -4.783 2.142 1.00 0.00 H new ATOM 0 HE1 TYR A 18 8.789 -9.515 2.284 1.00 0.00 H new ATOM 0 HE2 TYR A 18 9.924 -5.937 4.299 1.00 0.00 H new ATOM 0 HH TYR A 18 9.435 -7.808 5.356 1.00 0.00 H new ATOM 315 N ASN A 19 8.868 -6.915 -2.899 1.00 0.00 N ATOM 316 CA ASN A 19 8.209 -6.920 -4.197 1.00 0.00 C ATOM 317 C ASN A 19 6.784 -6.391 -4.098 1.00 0.00 C ATOM 318 O ASN A 19 6.299 -5.734 -5.013 1.00 0.00 O ATOM 319 CB ASN A 19 8.212 -8.326 -4.809 1.00 0.00 C ATOM 320 CG ASN A 19 7.504 -9.367 -3.955 1.00 0.00 C ATOM 321 OD1 ASN A 19 7.519 -9.305 -2.722 1.00 0.00 O ATOM 322 ND2 ASN A 19 6.875 -10.328 -4.608 1.00 0.00 N ATOM 0 H ASN A 19 8.320 -7.331 -2.146 1.00 0.00 H new ATOM 0 HA ASN A 19 8.773 -6.256 -4.851 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.735 -8.287 -5.788 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.243 -8.641 -4.969 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.378 -11.054 -4.092 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.886 -10.344 -5.628 1.00 0.00 H new ATOM 329 N VAL A 20 6.119 -6.672 -2.988 1.00 0.00 N ATOM 330 CA VAL A 20 4.745 -6.228 -2.787 1.00 0.00 C ATOM 331 C VAL A 20 4.555 -5.643 -1.392 1.00 0.00 C ATOM 332 O VAL A 20 5.242 -6.035 -0.447 1.00 0.00 O ATOM 333 CB VAL A 20 3.732 -7.380 -2.990 1.00 0.00 C ATOM 334 CG1 VAL A 20 3.708 -7.833 -4.442 1.00 0.00 C ATOM 335 CG2 VAL A 20 4.050 -8.548 -2.068 1.00 0.00 C ATOM 0 H VAL A 20 6.508 -7.206 -2.211 1.00 0.00 H new ATOM 0 HA VAL A 20 4.556 -5.458 -3.535 1.00 0.00 H new ATOM 0 HB VAL A 20 2.741 -7.005 -2.736 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.988 -8.643 -4.558 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.420 -6.997 -5.079 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.699 -8.184 -4.730 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.325 -9.346 -2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.052 -8.919 -2.284 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.001 -8.216 -1.031 1.00 0.00 H new ATOM 345 N VAL A 21 3.644 -4.686 -1.277 1.00 0.00 N ATOM 346 CA VAL A 21 3.275 -4.130 0.019 1.00 0.00 C ATOM 347 C VAL A 21 1.761 -4.219 0.231 1.00 0.00 C ATOM 348 O VAL A 21 0.978 -3.929 -0.678 1.00 0.00 O ATOM 349 CB VAL A 21 3.745 -2.657 0.173 1.00 0.00 C ATOM 350 CG1 VAL A 21 3.054 -1.735 -0.822 1.00 0.00 C ATOM 351 CG2 VAL A 21 3.525 -2.167 1.596 1.00 0.00 C ATOM 0 H VAL A 21 3.145 -4.277 -2.067 1.00 0.00 H new ATOM 0 HA VAL A 21 3.781 -4.724 0.780 1.00 0.00 H new ATOM 0 HB VAL A 21 4.813 -2.633 -0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.411 -0.715 -0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.279 -2.061 -1.837 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.976 -1.768 -0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.861 -1.134 1.681 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.464 -2.225 1.841 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.092 -2.791 2.287 1.00 0.00 H new ATOM 361 N PRO A 22 1.330 -4.682 1.417 1.00 0.00 N ATOM 362 CA PRO A 22 -0.085 -4.689 1.789 1.00 0.00 C ATOM 363 C PRO A 22 -0.608 -3.286 2.094 1.00 0.00 C ATOM 364 O PRO A 22 -0.104 -2.592 2.984 1.00 0.00 O ATOM 365 CB PRO A 22 -0.125 -5.570 3.041 1.00 0.00 C ATOM 366 CG PRO A 22 1.240 -5.462 3.625 1.00 0.00 C ATOM 367 CD PRO A 22 2.181 -5.270 2.466 1.00 0.00 C ATOM 0 HA PRO A 22 -0.718 -5.057 0.982 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.884 -5.225 3.743 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.368 -6.603 2.791 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.301 -4.623 4.318 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.494 -6.360 4.188 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.008 -4.610 2.727 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.617 -6.215 2.144 1.00 0.00 H new ATOM 375 N VAL A 23 -1.612 -2.874 1.345 1.00 0.00 N ATOM 376 CA VAL A 23 -2.222 -1.570 1.518 1.00 0.00 C ATOM 377 C VAL A 23 -3.593 -1.720 2.160 1.00 0.00 C ATOM 378 O VAL A 23 -4.336 -2.655 1.853 1.00 0.00 O ATOM 379 CB VAL A 23 -2.358 -0.817 0.175 1.00 0.00 C ATOM 380 CG1 VAL A 23 -0.989 -0.511 -0.407 1.00 0.00 C ATOM 381 CG2 VAL A 23 -3.187 -1.617 -0.819 1.00 0.00 C ATOM 0 H VAL A 23 -2.028 -3.433 0.600 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.570 -0.985 2.167 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.873 0.124 0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.106 0.019 -1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.428 0.110 0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.450 -1.443 -0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.267 -1.064 -1.755 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.706 -2.577 -1.005 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.184 -1.784 -0.410 1.00 0.00 H new ATOM 391 N LYS A 24 -3.918 -0.818 3.066 1.00 0.00 N ATOM 392 CA LYS A 24 -5.201 -0.860 3.743 1.00 0.00 C ATOM 393 C LYS A 24 -5.895 0.491 3.673 1.00 0.00 C ATOM 394 O LYS A 24 -5.293 1.498 3.293 1.00 0.00 O ATOM 395 CB LYS A 24 -5.040 -1.287 5.210 1.00 0.00 C ATOM 396 CG LYS A 24 -3.950 -0.531 5.966 1.00 0.00 C ATOM 397 CD LYS A 24 -4.308 -0.326 7.435 1.00 0.00 C ATOM 398 CE LYS A 24 -4.655 -1.631 8.137 1.00 0.00 C ATOM 399 NZ LYS A 24 -3.466 -2.503 8.334 1.00 0.00 N ATOM 0 H LYS A 24 -3.313 -0.048 3.350 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.817 -1.600 3.231 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.990 -1.143 5.725 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.817 -2.353 5.244 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.012 -1.081 5.895 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.787 0.438 5.494 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.470 0.147 7.947 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.153 0.358 7.508 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.105 -1.411 9.105 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.402 -2.167 7.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.657 -3.182 9.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.264 -3.019 7.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.645 -1.918 8.588 1.00 0.00 H new ATOM 413 N SER A 25 -7.158 0.506 4.053 1.00 0.00 N ATOM 414 CA SER A 25 -7.923 1.732 4.124 1.00 0.00 C ATOM 415 C SER A 25 -8.157 2.064 5.583 1.00 0.00 C ATOM 416 O SER A 25 -8.566 1.202 6.357 1.00 0.00 O ATOM 417 CB SER A 25 -9.254 1.558 3.404 1.00 0.00 C ATOM 418 OG SER A 25 -9.059 0.989 2.120 1.00 0.00 O ATOM 0 H SER A 25 -7.680 -0.329 4.320 1.00 0.00 H new ATOM 0 HA SER A 25 -7.377 2.543 3.642 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.911 0.920 3.994 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.750 2.524 3.308 1.00 0.00 H new ATOM 0 HG SER A 25 -9.761 1.303 1.513 1.00 0.00 H new ATOM 424 N ASN A 26 -7.884 3.299 5.968 1.00 0.00 N ATOM 425 CA ASN A 26 -7.932 3.650 7.386 1.00 0.00 C ATOM 426 C ASN A 26 -9.366 3.910 7.826 1.00 0.00 C ATOM 427 O ASN A 26 -9.661 4.006 9.019 1.00 0.00 O ATOM 428 CB ASN A 26 -7.025 4.848 7.704 1.00 0.00 C ATOM 429 CG ASN A 26 -7.594 6.185 7.269 1.00 0.00 C ATOM 430 OD1 ASN A 26 -8.290 6.848 8.032 1.00 0.00 O ATOM 431 ND2 ASN A 26 -7.288 6.602 6.050 1.00 0.00 N ATOM 0 H ASN A 26 -7.632 4.062 5.340 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.551 2.800 7.953 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.840 4.876 8.778 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.061 4.700 7.218 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.634 7.502 5.717 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.707 6.023 5.444 1.00 0.00 H new ATOM 438 N LYS A 27 -10.259 3.982 6.852 1.00 0.00 N ATOM 439 CA LYS A 27 -11.678 4.151 7.113 1.00 0.00 C ATOM 440 C LYS A 27 -12.471 3.123 6.309 1.00 0.00 C ATOM 441 O LYS A 27 -12.073 2.768 5.197 1.00 0.00 O ATOM 442 CB LYS A 27 -12.106 5.586 6.785 1.00 0.00 C ATOM 443 CG LYS A 27 -11.755 6.573 7.894 1.00 0.00 C ATOM 444 CD LYS A 27 -11.667 8.007 7.393 1.00 0.00 C ATOM 445 CE LYS A 27 -10.488 8.187 6.454 1.00 0.00 C ATOM 446 NZ LYS A 27 -10.112 9.614 6.280 1.00 0.00 N ATOM 0 H LYS A 27 -10.021 3.925 5.862 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.883 3.983 8.170 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.626 5.901 5.858 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.182 5.609 6.611 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.507 6.512 8.681 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.802 6.289 8.341 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.590 8.273 6.878 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.568 8.686 8.240 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.632 7.634 6.840 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.733 7.758 5.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.082 9.689 6.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.588 9.998 5.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.403 10.154 7.120 1.00 0.00 H new ATOM 460 N PRO A 28 -13.578 2.612 6.879 1.00 0.00 N ATOM 461 CA PRO A 28 -14.358 1.514 6.284 1.00 0.00 C ATOM 462 C PRO A 28 -14.810 1.793 4.853 1.00 0.00 C ATOM 463 O PRO A 28 -15.253 2.895 4.521 1.00 0.00 O ATOM 464 CB PRO A 28 -15.568 1.390 7.214 1.00 0.00 C ATOM 465 CG PRO A 28 -15.102 1.952 8.511 1.00 0.00 C ATOM 466 CD PRO A 28 -14.160 3.062 8.156 1.00 0.00 C ATOM 0 HA PRO A 28 -13.761 0.605 6.205 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.424 1.943 6.827 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.881 0.351 7.321 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.940 2.323 9.101 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.602 1.191 9.111 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -14.681 4.014 8.048 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -13.395 3.202 8.920 1.00 0.00 H new ATOM 474 N VAL A 29 -14.700 0.768 4.021 1.00 0.00 N ATOM 475 CA VAL A 29 -15.016 0.869 2.607 1.00 0.00 C ATOM 476 C VAL A 29 -16.331 0.166 2.298 1.00 0.00 C ATOM 477 O VAL A 29 -16.640 -0.869 2.890 1.00 0.00 O ATOM 478 CB VAL A 29 -13.896 0.235 1.761 1.00 0.00 C ATOM 479 CG1 VAL A 29 -14.127 0.465 0.279 1.00 0.00 C ATOM 480 CG2 VAL A 29 -12.540 0.771 2.192 1.00 0.00 C ATOM 0 H VAL A 29 -14.388 -0.159 4.310 1.00 0.00 H new ATOM 0 HA VAL A 29 -15.107 1.926 2.359 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.911 -0.842 1.930 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.319 0.005 -0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -15.077 0.019 -0.015 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -14.150 1.536 0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.758 0.314 1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.517 1.853 2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.371 0.531 3.242 1.00 0.00 H new ATOM 490 N GLU A 30 -17.102 0.735 1.383 1.00 0.00 N ATOM 491 CA GLU A 30 -18.360 0.140 0.961 1.00 0.00 C ATOM 492 C GLU A 30 -18.081 -1.142 0.175 1.00 0.00 C ATOM 493 O GLU A 30 -17.161 -1.187 -0.647 1.00 0.00 O ATOM 494 CB GLU A 30 -19.151 1.145 0.116 1.00 0.00 C ATOM 495 CG GLU A 30 -20.655 1.107 0.349 1.00 0.00 C ATOM 496 CD GLU A 30 -21.300 -0.158 -0.165 1.00 0.00 C ATOM 497 OE1 GLU A 30 -21.507 -0.266 -1.389 1.00 0.00 O ATOM 498 OE2 GLU A 30 -21.611 -1.046 0.644 1.00 0.00 O ATOM 0 H GLU A 30 -16.876 1.613 0.917 1.00 0.00 H new ATOM 0 HA GLU A 30 -18.959 -0.115 1.835 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -18.786 2.150 0.330 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -18.953 0.952 -0.938 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -20.854 1.202 1.416 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -21.115 1.967 -0.139 1.00 0.00 H new ATOM 505 N ILE A 31 -18.892 -2.168 0.406 1.00 0.00 N ATOM 506 CA ILE A 31 -18.606 -3.510 -0.095 1.00 0.00 C ATOM 507 C ILE A 31 -18.894 -3.666 -1.591 1.00 0.00 C ATOM 508 O ILE A 31 -18.920 -4.785 -2.109 1.00 0.00 O ATOM 509 CB ILE A 31 -19.380 -4.583 0.694 1.00 0.00 C ATOM 510 CG1 ILE A 31 -20.882 -4.276 0.704 1.00 0.00 C ATOM 511 CG2 ILE A 31 -18.837 -4.679 2.114 1.00 0.00 C ATOM 512 CD1 ILE A 31 -21.705 -5.299 1.460 1.00 0.00 C ATOM 0 H ILE A 31 -19.758 -2.097 0.940 1.00 0.00 H new ATOM 0 HA ILE A 31 -17.536 -3.655 0.052 1.00 0.00 H new ATOM 0 HB ILE A 31 -19.241 -5.545 0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -21.041 -3.294 1.149 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -21.240 -4.222 -0.324 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -19.390 -5.440 2.664 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -17.782 -4.949 2.082 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -18.950 -3.716 2.613 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -22.757 -5.017 1.425 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -21.577 -6.280 1.002 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -21.374 -5.337 2.498 1.00 0.00 H new ATOM 524 N SER A 32 -19.098 -2.557 -2.288 1.00 0.00 N ATOM 525 CA SER A 32 -19.201 -2.590 -3.741 1.00 0.00 C ATOM 526 C SER A 32 -18.261 -1.560 -4.367 1.00 0.00 C ATOM 527 O SER A 32 -18.129 -1.480 -5.588 1.00 0.00 O ATOM 528 CB SER A 32 -20.644 -2.336 -4.193 1.00 0.00 C ATOM 529 OG SER A 32 -21.082 -1.041 -3.820 1.00 0.00 O ATOM 0 H SER A 32 -19.195 -1.629 -1.875 1.00 0.00 H new ATOM 0 HA SER A 32 -18.907 -3.584 -4.079 1.00 0.00 H new ATOM 0 HB2 SER A 32 -20.713 -2.447 -5.275 1.00 0.00 H new ATOM 0 HB3 SER A 32 -21.302 -3.085 -3.753 1.00 0.00 H new ATOM 0 HG SER A 32 -20.943 -0.913 -2.858 1.00 0.00 H new ATOM 535 N LYS A 33 -17.585 -0.788 -3.521 1.00 0.00 N ATOM 536 CA LYS A 33 -16.731 0.291 -3.996 1.00 0.00 C ATOM 537 C LYS A 33 -15.265 -0.145 -4.010 1.00 0.00 C ATOM 538 O LYS A 33 -14.420 0.493 -4.640 1.00 0.00 O ATOM 539 CB LYS A 33 -16.917 1.534 -3.117 1.00 0.00 C ATOM 540 CG LYS A 33 -16.184 2.772 -3.620 1.00 0.00 C ATOM 541 CD LYS A 33 -16.656 3.185 -5.006 1.00 0.00 C ATOM 542 CE LYS A 33 -15.860 4.367 -5.539 1.00 0.00 C ATOM 543 NZ LYS A 33 -16.319 4.795 -6.890 1.00 0.00 N ATOM 0 H LYS A 33 -17.613 -0.891 -2.507 1.00 0.00 H new ATOM 0 HA LYS A 33 -17.019 0.539 -5.018 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -17.981 1.759 -3.047 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -16.572 1.306 -2.108 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.340 3.595 -2.923 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -15.112 2.575 -3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -16.559 2.342 -5.690 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.714 3.445 -4.968 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -15.948 5.204 -4.846 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -14.804 4.100 -5.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -15.909 5.723 -7.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -16.012 4.098 -7.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -17.357 4.864 -6.899 1.00 0.00 H new ATOM 557 N TRP A 34 -14.968 -1.244 -3.323 1.00 0.00 N ATOM 558 CA TRP A 34 -13.604 -1.775 -3.282 1.00 0.00 C ATOM 559 C TRP A 34 -13.167 -2.243 -4.668 1.00 0.00 C ATOM 560 O TRP A 34 -11.973 -2.357 -4.953 1.00 0.00 O ATOM 561 CB TRP A 34 -13.493 -2.927 -2.273 1.00 0.00 C ATOM 562 CG TRP A 34 -14.365 -4.104 -2.595 1.00 0.00 C ATOM 563 CD1 TRP A 34 -15.660 -4.287 -2.212 1.00 0.00 C ATOM 564 CD2 TRP A 34 -14.002 -5.263 -3.357 1.00 0.00 C ATOM 565 NE1 TRP A 34 -16.130 -5.482 -2.696 1.00 0.00 N ATOM 566 CE2 TRP A 34 -15.132 -6.101 -3.401 1.00 0.00 C ATOM 567 CE3 TRP A 34 -12.836 -5.671 -4.013 1.00 0.00 C ATOM 568 CZ2 TRP A 34 -15.129 -7.322 -4.070 1.00 0.00 C ATOM 569 CZ3 TRP A 34 -12.833 -6.884 -4.676 1.00 0.00 C ATOM 570 CH2 TRP A 34 -13.974 -7.696 -4.701 1.00 0.00 C ATOM 0 H TRP A 34 -15.648 -1.784 -2.788 1.00 0.00 H new ATOM 0 HA TRP A 34 -12.941 -0.972 -2.960 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -12.455 -3.258 -2.227 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -13.753 -2.555 -1.282 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -16.233 -3.593 -1.615 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -17.071 -5.850 -2.554 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -11.953 -5.049 -4.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -16.007 -7.951 -4.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -11.937 -7.211 -5.183 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -13.941 -8.637 -5.230 1.00 0.00 H new ATOM 581 N ILE A 35 -14.148 -2.509 -5.526 1.00 0.00 N ATOM 582 CA ILE A 35 -13.887 -2.906 -6.902 1.00 0.00 C ATOM 583 C ILE A 35 -13.170 -1.782 -7.645 1.00 0.00 C ATOM 584 O ILE A 35 -12.196 -2.013 -8.362 1.00 0.00 O ATOM 585 CB ILE A 35 -15.197 -3.258 -7.638 1.00 0.00 C ATOM 586 CG1 ILE A 35 -15.938 -4.371 -6.890 1.00 0.00 C ATOM 587 CG2 ILE A 35 -14.910 -3.680 -9.074 1.00 0.00 C ATOM 588 CD1 ILE A 35 -17.297 -4.703 -7.472 1.00 0.00 C ATOM 0 H ILE A 35 -15.138 -2.455 -5.287 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.253 -3.793 -6.881 1.00 0.00 H new ATOM 0 HB ILE A 35 -15.830 -2.371 -7.664 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -15.322 -5.270 -6.894 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -16.062 -4.075 -5.848 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -15.846 -3.924 -9.576 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.418 -2.863 -9.602 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -14.260 -4.555 -9.073 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -17.758 -5.499 -6.888 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -17.932 -3.817 -7.443 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -17.180 -5.031 -8.505 1.00 0.00 H new ATOM 600 N ASP A 36 -13.654 -0.563 -7.447 1.00 0.00 N ATOM 601 CA ASP A 36 -13.033 0.620 -8.027 1.00 0.00 C ATOM 602 C ASP A 36 -11.592 0.730 -7.558 1.00 0.00 C ATOM 603 O ASP A 36 -10.670 0.880 -8.358 1.00 0.00 O ATOM 604 CB ASP A 36 -13.790 1.889 -7.607 1.00 0.00 C ATOM 605 CG ASP A 36 -15.245 1.894 -8.029 1.00 0.00 C ATOM 606 OD1 ASP A 36 -16.000 1.005 -7.592 1.00 0.00 O ATOM 607 OD2 ASP A 36 -15.652 2.810 -8.775 1.00 0.00 O ATOM 0 H ASP A 36 -14.482 -0.367 -6.884 1.00 0.00 H new ATOM 0 HA ASP A 36 -13.065 0.524 -9.112 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -13.734 1.994 -6.523 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.292 2.758 -8.037 1.00 0.00 H new ATOM 612 N PHE A 37 -11.411 0.628 -6.248 1.00 0.00 N ATOM 613 CA PHE A 37 -10.109 0.821 -5.630 1.00 0.00 C ATOM 614 C PHE A 37 -9.095 -0.220 -6.091 1.00 0.00 C ATOM 615 O PHE A 37 -7.954 0.120 -6.387 1.00 0.00 O ATOM 616 CB PHE A 37 -10.235 0.802 -4.108 1.00 0.00 C ATOM 617 CG PHE A 37 -11.122 1.890 -3.577 1.00 0.00 C ATOM 618 CD1 PHE A 37 -10.957 3.199 -3.998 1.00 0.00 C ATOM 619 CD2 PHE A 37 -12.121 1.608 -2.664 1.00 0.00 C ATOM 620 CE1 PHE A 37 -11.771 4.204 -3.517 1.00 0.00 C ATOM 621 CE2 PHE A 37 -12.938 2.611 -2.178 1.00 0.00 C ATOM 622 CZ PHE A 37 -12.763 3.909 -2.606 1.00 0.00 C ATOM 0 H PHE A 37 -12.158 0.411 -5.589 1.00 0.00 H new ATOM 0 HA PHE A 37 -9.740 1.797 -5.947 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -10.628 -0.165 -3.794 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -9.244 0.902 -3.666 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -10.182 3.436 -4.712 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -12.265 0.592 -2.327 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -11.631 5.221 -3.854 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -13.713 2.378 -1.463 1.00 0.00 H new ATOM 0 HZ PHE A 37 -13.402 4.694 -2.229 1.00 0.00 H new ATOM 632 N SER A 38 -9.509 -1.478 -6.164 1.00 0.00 N ATOM 633 CA SER A 38 -8.606 -2.548 -6.580 1.00 0.00 C ATOM 634 C SER A 38 -8.126 -2.333 -8.017 1.00 0.00 C ATOM 635 O SER A 38 -6.964 -2.593 -8.342 1.00 0.00 O ATOM 636 CB SER A 38 -9.284 -3.913 -6.425 1.00 0.00 C ATOM 637 OG SER A 38 -10.604 -3.891 -6.937 1.00 0.00 O ATOM 0 H SER A 38 -10.457 -1.783 -5.943 1.00 0.00 H new ATOM 0 HA SER A 38 -7.730 -2.527 -5.932 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.702 -4.672 -6.947 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.304 -4.194 -5.372 1.00 0.00 H new ATOM 0 HG SER A 38 -11.209 -3.511 -6.266 1.00 0.00 H new ATOM 643 N ASN A 39 -9.015 -1.828 -8.869 1.00 0.00 N ATOM 644 CA ASN A 39 -8.655 -1.520 -10.251 1.00 0.00 C ATOM 645 C ASN A 39 -7.652 -0.373 -10.306 1.00 0.00 C ATOM 646 O ASN A 39 -6.747 -0.364 -11.143 1.00 0.00 O ATOM 647 CB ASN A 39 -9.896 -1.176 -11.081 1.00 0.00 C ATOM 648 CG ASN A 39 -10.616 -2.411 -11.591 1.00 0.00 C ATOM 649 OD1 ASN A 39 -10.342 -2.894 -12.689 1.00 0.00 O ATOM 650 ND2 ASN A 39 -11.544 -2.928 -10.807 1.00 0.00 N ATOM 0 H ASN A 39 -9.985 -1.624 -8.629 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.192 -2.409 -10.678 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.582 -0.584 -10.475 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.602 -0.555 -11.928 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.061 -3.755 -11.105 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.744 -2.500 -9.903 1.00 0.00 H new ATOM 657 N VAL A 40 -7.811 0.589 -9.405 1.00 0.00 N ATOM 658 CA VAL A 40 -6.873 1.699 -9.301 1.00 0.00 C ATOM 659 C VAL A 40 -5.528 1.211 -8.766 1.00 0.00 C ATOM 660 O VAL A 40 -4.474 1.581 -9.282 1.00 0.00 O ATOM 661 CB VAL A 40 -7.414 2.821 -8.386 1.00 0.00 C ATOM 662 CG1 VAL A 40 -6.406 3.956 -8.263 1.00 0.00 C ATOM 663 CG2 VAL A 40 -8.738 3.343 -8.918 1.00 0.00 C ATOM 0 H VAL A 40 -8.580 0.622 -8.736 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.743 2.108 -10.303 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.576 2.403 -7.393 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.810 4.733 -7.614 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.478 3.574 -7.837 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.207 4.374 -9.250 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.107 4.133 -8.264 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.595 3.741 -9.922 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.463 2.530 -8.950 1.00 0.00 H new ATOM 673 N LEU A 41 -5.577 0.354 -7.747 1.00 0.00 N ATOM 674 CA LEU A 41 -4.369 -0.203 -7.135 1.00 0.00 C ATOM 675 C LEU A 41 -3.568 -1.025 -8.140 1.00 0.00 C ATOM 676 O LEU A 41 -2.358 -1.192 -7.995 1.00 0.00 O ATOM 677 CB LEU A 41 -4.731 -1.070 -5.924 1.00 0.00 C ATOM 678 CG LEU A 41 -5.421 -0.333 -4.773 1.00 0.00 C ATOM 679 CD1 LEU A 41 -5.788 -1.303 -3.660 1.00 0.00 C ATOM 680 CD2 LEU A 41 -4.530 0.778 -4.238 1.00 0.00 C ATOM 0 H LEU A 41 -6.446 0.028 -7.325 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.751 0.632 -6.805 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.382 -1.878 -6.258 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.820 -1.532 -5.543 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.338 0.115 -5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.277 -0.760 -2.851 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.465 -2.063 -4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.885 -1.781 -3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.038 1.290 -3.421 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.595 0.351 -3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.317 1.490 -5.036 1.00 0.00 H new ATOM 692 N SER A 42 -4.245 -1.526 -9.164 1.00 0.00 N ATOM 693 CA SER A 42 -3.587 -2.290 -10.217 1.00 0.00 C ATOM 694 C SER A 42 -2.619 -1.407 -11.011 1.00 0.00 C ATOM 695 O SER A 42 -1.733 -1.905 -11.701 1.00 0.00 O ATOM 696 CB SER A 42 -4.632 -2.902 -11.151 1.00 0.00 C ATOM 697 OG SER A 42 -5.535 -3.737 -10.437 1.00 0.00 O ATOM 0 H SER A 42 -5.251 -1.417 -9.289 1.00 0.00 H new ATOM 0 HA SER A 42 -3.012 -3.091 -9.752 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.186 -2.108 -11.651 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.134 -3.482 -11.928 1.00 0.00 H new ATOM 0 HG SER A 42 -5.994 -3.210 -9.750 1.00 0.00 H new ATOM 703 N ARG A 43 -2.791 -0.092 -10.902 1.00 0.00 N ATOM 704 CA ARG A 43 -1.930 0.861 -11.594 1.00 0.00 C ATOM 705 C ARG A 43 -0.939 1.498 -10.628 1.00 0.00 C ATOM 706 O ARG A 43 -0.092 2.296 -11.031 1.00 0.00 O ATOM 707 CB ARG A 43 -2.766 1.972 -12.229 1.00 0.00 C ATOM 708 CG ARG A 43 -3.717 1.502 -13.315 1.00 0.00 C ATOM 709 CD ARG A 43 -2.973 1.019 -14.550 1.00 0.00 C ATOM 710 NE ARG A 43 -3.843 1.016 -15.721 1.00 0.00 N ATOM 711 CZ ARG A 43 -3.779 0.129 -16.710 1.00 0.00 C ATOM 712 NH1 ARG A 43 -2.858 -0.830 -16.702 1.00 0.00 N ATOM 713 NH2 ARG A 43 -4.631 0.224 -17.722 1.00 0.00 N ATOM 0 H ARG A 43 -3.523 0.339 -10.338 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.388 0.314 -12.365 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.343 2.467 -11.448 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.094 2.719 -12.651 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.340 0.696 -12.928 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.386 2.318 -13.590 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.112 1.662 -14.734 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.588 0.014 -14.377 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.552 1.747 -15.786 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.192 -0.891 -15.932 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.818 -1.505 -17.466 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.325 0.971 -17.736 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.592 -0.450 -18.486 1.00 0.00 H new ATOM 727 N LEU A 44 -1.037 1.136 -9.355 1.00 0.00 N ATOM 728 CA LEU A 44 -0.278 1.812 -8.309 1.00 0.00 C ATOM 729 C LEU A 44 1.136 1.238 -8.189 1.00 0.00 C ATOM 730 O LEU A 44 1.574 0.841 -7.110 1.00 0.00 O ATOM 731 CB LEU A 44 -1.021 1.709 -6.973 1.00 0.00 C ATOM 732 CG LEU A 44 -0.491 2.609 -5.857 1.00 0.00 C ATOM 733 CD1 LEU A 44 -0.668 4.074 -6.229 1.00 0.00 C ATOM 734 CD2 LEU A 44 -1.194 2.300 -4.544 1.00 0.00 C ATOM 0 H LEU A 44 -1.634 0.379 -9.022 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.183 2.864 -8.580 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.071 1.948 -7.141 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.980 0.674 -6.633 1.00 0.00 H new ATOM 0 HG LEU A 44 0.573 2.413 -5.729 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.286 4.702 -5.424 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.119 4.285 -7.147 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.726 4.285 -6.383 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.804 2.950 -3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.265 2.469 -4.656 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.017 1.259 -4.273 1.00 0.00 H new ATOM 746 N TYR A 45 1.848 1.205 -9.305 1.00 0.00 N ATOM 747 CA TYR A 45 3.231 0.752 -9.314 1.00 0.00 C ATOM 748 C TYR A 45 4.160 1.842 -8.798 1.00 0.00 C ATOM 749 O TYR A 45 4.830 2.530 -9.575 1.00 0.00 O ATOM 750 CB TYR A 45 3.655 0.315 -10.718 1.00 0.00 C ATOM 751 CG TYR A 45 3.304 -1.119 -11.039 1.00 0.00 C ATOM 752 CD1 TYR A 45 1.995 -1.496 -11.324 1.00 0.00 C ATOM 753 CD2 TYR A 45 4.287 -2.101 -11.052 1.00 0.00 C ATOM 754 CE1 TYR A 45 1.679 -2.811 -11.614 1.00 0.00 C ATOM 755 CE2 TYR A 45 3.978 -3.415 -11.340 1.00 0.00 C ATOM 756 CZ TYR A 45 2.674 -3.765 -11.621 1.00 0.00 C ATOM 757 OH TYR A 45 2.366 -5.078 -11.905 1.00 0.00 O ATOM 0 H TYR A 45 1.490 1.487 -10.218 1.00 0.00 H new ATOM 0 HA TYR A 45 3.304 -0.109 -8.650 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.182 0.969 -11.451 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.732 0.448 -10.821 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.214 -0.750 -11.319 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.310 -1.832 -10.833 1.00 0.00 H new ATOM 0 HE1 TYR A 45 0.659 -3.089 -11.834 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.754 -4.166 -11.345 1.00 0.00 H new ATOM 0 HH TYR A 45 3.181 -5.620 -11.869 1.00 0.00 H new ATOM 767 N VAL A 46 4.168 2.014 -7.486 1.00 0.00 N ATOM 768 CA VAL A 46 5.045 2.980 -6.848 1.00 0.00 C ATOM 769 C VAL A 46 6.403 2.351 -6.579 1.00 0.00 C ATOM 770 O VAL A 46 6.502 1.145 -6.367 1.00 0.00 O ATOM 771 CB VAL A 46 4.445 3.517 -5.529 1.00 0.00 C ATOM 772 CG1 VAL A 46 3.191 4.327 -5.806 1.00 0.00 C ATOM 773 CG2 VAL A 46 4.141 2.379 -4.561 1.00 0.00 C ATOM 0 H VAL A 46 3.574 1.494 -6.840 1.00 0.00 H new ATOM 0 HA VAL A 46 5.159 3.823 -7.529 1.00 0.00 H new ATOM 0 HB VAL A 46 5.185 4.168 -5.063 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.782 4.697 -4.866 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.438 5.170 -6.452 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.452 3.696 -6.300 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.720 2.786 -3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.425 1.695 -5.017 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.061 1.841 -4.332 1.00 0.00 H new ATOM 783 N GLY A 47 7.445 3.163 -6.604 1.00 0.00 N ATOM 784 CA GLY A 47 8.779 2.640 -6.412 1.00 0.00 C ATOM 785 C GLY A 47 9.460 3.226 -5.204 1.00 0.00 C ATOM 786 O GLY A 47 10.598 3.682 -5.278 1.00 0.00 O ATOM 0 H GLY A 47 7.393 4.171 -6.753 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.729 1.556 -6.307 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.378 2.847 -7.299 1.00 0.00 H new ATOM 790 N VAL A 48 8.755 3.219 -4.093 1.00 0.00 N ATOM 791 CA VAL A 48 9.271 3.782 -2.856 1.00 0.00 C ATOM 792 C VAL A 48 9.082 2.804 -1.701 1.00 0.00 C ATOM 793 O VAL A 48 7.952 2.466 -1.349 1.00 0.00 O ATOM 794 CB VAL A 48 8.570 5.116 -2.504 1.00 0.00 C ATOM 795 CG1 VAL A 48 9.146 5.711 -1.227 1.00 0.00 C ATOM 796 CG2 VAL A 48 8.680 6.109 -3.653 1.00 0.00 C ATOM 0 H VAL A 48 7.816 2.828 -4.018 1.00 0.00 H new ATOM 0 HA VAL A 48 10.333 3.972 -3.009 1.00 0.00 H new ATOM 0 HB VAL A 48 7.514 4.904 -2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.637 6.648 -1.000 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.003 5.012 -0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 48 10.211 5.900 -1.362 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.179 7.038 -3.380 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.731 6.310 -3.860 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.208 5.690 -4.542 1.00 0.00 H new ATOM 806 N PRO A 49 10.187 2.301 -1.131 1.00 0.00 N ATOM 807 CA PRO A 49 10.148 1.509 0.098 1.00 0.00 C ATOM 808 C PRO A 49 9.597 2.328 1.262 1.00 0.00 C ATOM 809 O PRO A 49 10.282 3.197 1.806 1.00 0.00 O ATOM 810 CB PRO A 49 11.613 1.135 0.351 1.00 0.00 C ATOM 811 CG PRO A 49 12.306 1.351 -0.952 1.00 0.00 C ATOM 812 CD PRO A 49 11.554 2.447 -1.651 1.00 0.00 C ATOM 0 HA PRO A 49 9.499 0.638 0.007 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.047 1.755 1.135 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.704 0.099 0.677 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.348 1.632 -0.797 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.307 0.438 -1.548 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.969 3.429 -1.423 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.587 2.331 -2.734 1.00 0.00 H new ATOM 820 N THR A 50 8.352 2.069 1.617 1.00 0.00 N ATOM 821 CA THR A 50 7.667 2.858 2.622 1.00 0.00 C ATOM 822 C THR A 50 7.737 2.225 4.006 1.00 0.00 C ATOM 823 O THR A 50 8.219 1.111 4.167 1.00 0.00 O ATOM 824 CB THR A 50 6.194 3.052 2.240 1.00 0.00 C ATOM 825 OG1 THR A 50 5.606 1.789 1.895 1.00 0.00 O ATOM 826 CG2 THR A 50 6.054 4.024 1.078 1.00 0.00 C ATOM 0 H THR A 50 7.793 1.314 1.221 1.00 0.00 H new ATOM 0 HA THR A 50 8.177 3.820 2.661 1.00 0.00 H new ATOM 0 HB THR A 50 5.672 3.471 3.100 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.425 1.764 0.932 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.000 4.143 0.828 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.471 4.991 1.360 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.591 3.636 0.212 1.00 0.00 H new ATOM 834 N LYS A 51 7.247 2.957 4.995 1.00 0.00 N ATOM 835 CA LYS A 51 7.145 2.462 6.360 1.00 0.00 C ATOM 836 C LYS A 51 5.732 1.952 6.607 1.00 0.00 C ATOM 837 O LYS A 51 5.100 1.396 5.715 1.00 0.00 O ATOM 838 CB LYS A 51 7.485 3.590 7.340 1.00 0.00 C ATOM 839 CG LYS A 51 8.879 4.175 7.149 1.00 0.00 C ATOM 840 CD LYS A 51 9.967 3.141 7.392 1.00 0.00 C ATOM 841 CE LYS A 51 11.354 3.762 7.315 1.00 0.00 C ATOM 842 NZ LYS A 51 12.422 2.785 7.655 1.00 0.00 N ATOM 0 H LYS A 51 6.909 3.912 4.874 1.00 0.00 H new ATOM 0 HA LYS A 51 7.848 1.643 6.510 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.749 4.387 7.231 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.397 3.212 8.359 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.972 4.568 6.137 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.017 5.014 7.831 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.825 2.686 8.372 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.883 2.343 6.654 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.523 4.148 6.310 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.409 4.611 7.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.350 3.249 7.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.277 2.435 8.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.387 1.987 6.989 1.00 0.00 H new ATOM 856 N SER A 52 5.258 2.098 7.818 1.00 0.00 N ATOM 857 CA SER A 52 3.855 1.836 8.116 1.00 0.00 C ATOM 858 C SER A 52 3.073 3.144 8.237 1.00 0.00 C ATOM 859 O SER A 52 3.497 4.075 8.923 1.00 0.00 O ATOM 860 CB SER A 52 3.704 1.022 9.405 1.00 0.00 C ATOM 861 OG SER A 52 2.349 0.657 9.627 1.00 0.00 O ATOM 0 H SER A 52 5.814 2.396 8.619 1.00 0.00 H new ATOM 0 HA SER A 52 3.448 1.254 7.289 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.320 0.125 9.346 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.070 1.604 10.251 1.00 0.00 H new ATOM 0 HG SER A 52 2.282 0.137 10.455 1.00 0.00 H new ATOM 867 N GLY A 53 1.938 3.215 7.555 1.00 0.00 N ATOM 868 CA GLY A 53 1.062 4.366 7.678 1.00 0.00 C ATOM 869 C GLY A 53 1.363 5.438 6.653 1.00 0.00 C ATOM 870 O GLY A 53 1.105 6.619 6.884 1.00 0.00 O ATOM 0 H GLY A 53 1.606 2.493 6.916 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.027 4.043 7.568 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.160 4.787 8.679 1.00 0.00 H new ATOM 874 N ASN A 54 1.910 5.029 5.520 1.00 0.00 N ATOM 875 CA ASN A 54 2.229 5.966 4.448 1.00 0.00 C ATOM 876 C ASN A 54 1.010 6.148 3.572 1.00 0.00 C ATOM 877 O ASN A 54 0.581 5.207 2.903 1.00 0.00 O ATOM 878 CB ASN A 54 3.385 5.464 3.587 1.00 0.00 C ATOM 879 CG ASN A 54 4.346 4.606 4.363 1.00 0.00 C ATOM 880 OD1 ASN A 54 5.318 5.086 4.941 1.00 0.00 O ATOM 881 ND2 ASN A 54 4.076 3.318 4.366 1.00 0.00 N ATOM 0 H ASN A 54 2.143 4.057 5.316 1.00 0.00 H new ATOM 0 HA ASN A 54 2.526 6.911 4.902 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.988 4.893 2.748 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.920 6.317 3.168 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.687 2.670 4.864 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.256 2.968 3.871 1.00 0.00 H new ATOM 888 N VAL A 55 0.432 7.336 3.594 1.00 0.00 N ATOM 889 CA VAL A 55 -0.727 7.611 2.767 1.00 0.00 C ATOM 890 C VAL A 55 -0.303 7.746 1.311 1.00 0.00 C ATOM 891 O VAL A 55 0.314 8.739 0.926 1.00 0.00 O ATOM 892 CB VAL A 55 -1.468 8.900 3.199 1.00 0.00 C ATOM 893 CG1 VAL A 55 -2.717 9.112 2.356 1.00 0.00 C ATOM 894 CG2 VAL A 55 -1.822 8.857 4.675 1.00 0.00 C ATOM 0 H VAL A 55 0.743 8.118 4.170 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.413 6.773 2.890 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.796 9.743 3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.222 10.023 2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.437 9.203 1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.388 8.262 2.480 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.342 9.774 4.951 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.469 8.001 4.869 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.910 8.764 5.265 1.00 0.00 H new ATOM 904 N VAL A 56 -0.614 6.737 0.517 1.00 0.00 N ATOM 905 CA VAL A 56 -0.280 6.754 -0.896 1.00 0.00 C ATOM 906 C VAL A 56 -1.290 7.605 -1.653 1.00 0.00 C ATOM 907 O VAL A 56 -0.925 8.448 -2.476 1.00 0.00 O ATOM 908 CB VAL A 56 -0.260 5.329 -1.493 1.00 0.00 C ATOM 909 CG1 VAL A 56 0.256 5.353 -2.923 1.00 0.00 C ATOM 910 CG2 VAL A 56 0.578 4.394 -0.631 1.00 0.00 C ATOM 0 H VAL A 56 -1.098 5.894 0.827 1.00 0.00 H new ATOM 0 HA VAL A 56 0.719 7.179 -0.997 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.282 4.951 -1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.262 4.340 -3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.393 5.981 -3.533 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.269 5.755 -2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.578 3.396 -1.070 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.601 4.767 -0.578 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.156 4.348 0.373 1.00 0.00 H new ATOM 920 N CYS A 57 -2.562 7.383 -1.359 1.00 0.00 N ATOM 921 CA CYS A 57 -3.638 8.135 -1.980 1.00 0.00 C ATOM 922 C CYS A 57 -4.603 8.663 -0.925 1.00 0.00 C ATOM 923 O CYS A 57 -5.326 7.888 -0.296 1.00 0.00 O ATOM 924 CB CYS A 57 -4.389 7.253 -2.979 1.00 0.00 C ATOM 925 SG CYS A 57 -3.334 6.508 -4.244 1.00 0.00 S ATOM 0 H CYS A 57 -2.875 6.681 -0.688 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.204 8.983 -2.509 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.900 6.459 -2.434 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.158 7.850 -3.468 1.00 0.00 H new ATOM 0 HG CYS A 57 -4.059 5.779 -5.040 1.00 0.00 H new ATOM 931 N LYS A 58 -4.595 9.972 -0.716 1.00 0.00 N ATOM 932 CA LYS A 58 -5.525 10.602 0.210 1.00 0.00 C ATOM 933 C LYS A 58 -6.843 10.894 -0.492 1.00 0.00 C ATOM 934 O LYS A 58 -6.853 11.492 -1.570 1.00 0.00 O ATOM 935 CB LYS A 58 -4.931 11.888 0.791 1.00 0.00 C ATOM 936 CG LYS A 58 -5.929 12.711 1.594 1.00 0.00 C ATOM 937 CD LYS A 58 -5.240 13.707 2.511 1.00 0.00 C ATOM 938 CE LYS A 58 -4.412 12.996 3.568 1.00 0.00 C ATOM 939 NZ LYS A 58 -3.957 13.924 4.635 1.00 0.00 N ATOM 0 H LYS A 58 -3.954 10.619 -1.176 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.709 9.914 1.035 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.086 11.632 1.430 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.541 12.499 -0.023 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.591 13.244 0.912 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.554 12.044 2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.599 14.364 1.923 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.986 14.338 2.993 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.002 12.194 4.012 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.545 12.531 3.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.396 13.399 5.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.373 14.675 4.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.784 14.349 5.102 1.00 0.00 H new ATOM 953 N ASN A 59 -7.942 10.468 0.130 1.00 0.00 N ATOM 954 CA ASN A 59 -9.275 10.586 -0.454 1.00 0.00 C ATOM 955 C ASN A 59 -9.289 9.956 -1.841 1.00 0.00 C ATOM 956 O ASN A 59 -9.379 10.650 -2.860 1.00 0.00 O ATOM 957 CB ASN A 59 -9.732 12.049 -0.527 1.00 0.00 C ATOM 958 CG ASN A 59 -11.147 12.188 -1.065 1.00 0.00 C ATOM 959 OD1 ASN A 59 -11.983 11.307 -0.876 1.00 0.00 O ATOM 960 ND2 ASN A 59 -11.419 13.284 -1.754 1.00 0.00 N ATOM 0 H ASN A 59 -7.932 10.032 1.052 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.975 10.055 0.191 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -9.679 12.493 0.467 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -9.047 12.609 -1.164 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -12.349 13.420 -2.150 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.698 13.993 -1.890 1.00 0.00 H new ATOM 967 N ILE A 60 -9.172 8.639 -1.882 1.00 0.00 N ATOM 968 CA ILE A 60 -9.042 7.952 -3.157 1.00 0.00 C ATOM 969 C ILE A 60 -10.395 7.812 -3.853 1.00 0.00 C ATOM 970 O ILE A 60 -11.362 7.325 -3.267 1.00 0.00 O ATOM 971 CB ILE A 60 -8.363 6.571 -2.999 1.00 0.00 C ATOM 972 CG1 ILE A 60 -8.278 5.852 -4.352 1.00 0.00 C ATOM 973 CG2 ILE A 60 -9.100 5.724 -1.976 1.00 0.00 C ATOM 974 CD1 ILE A 60 -7.507 4.549 -4.305 1.00 0.00 C ATOM 0 H ILE A 60 -9.164 8.032 -1.062 1.00 0.00 H new ATOM 0 HA ILE A 60 -8.398 8.567 -3.786 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.347 6.727 -2.636 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -9.288 5.653 -4.711 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.807 6.516 -5.077 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.606 4.757 -1.880 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.094 6.231 -1.011 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -10.130 5.575 -2.301 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -7.491 4.100 -5.298 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -6.486 4.742 -3.977 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.989 3.866 -3.606 1.00 0.00 H new ATOM 986 N MET A 61 -10.452 8.290 -5.099 1.00 0.00 N ATOM 987 CA MET A 61 -11.651 8.196 -5.941 1.00 0.00 C ATOM 988 C MET A 61 -12.818 8.996 -5.364 1.00 0.00 C ATOM 989 O MET A 61 -13.965 8.768 -5.739 1.00 0.00 O ATOM 990 CB MET A 61 -12.071 6.736 -6.149 1.00 0.00 C ATOM 991 CG MET A 61 -11.061 5.909 -6.932 1.00 0.00 C ATOM 992 SD MET A 61 -10.817 6.513 -8.615 1.00 0.00 S ATOM 993 CE MET A 61 -12.446 6.246 -9.315 1.00 0.00 C ATOM 0 H MET A 61 -9.667 8.755 -5.555 1.00 0.00 H new ATOM 0 HA MET A 61 -11.389 8.628 -6.907 1.00 0.00 H new ATOM 0 HB2 MET A 61 -12.229 6.272 -5.176 1.00 0.00 H new ATOM 0 HB3 MET A 61 -13.027 6.714 -6.672 1.00 0.00 H new ATOM 0 HG2 MET A 61 -10.106 5.917 -6.406 1.00 0.00 H new ATOM 0 HG3 MET A 61 -11.397 4.873 -6.968 1.00 0.00 H new ATOM 0 HE1 MET A 61 -12.347 5.827 -10.317 1.00 0.00 H new ATOM 0 HE2 MET A 61 -13.004 5.553 -8.685 1.00 0.00 H new ATOM 0 HE3 MET A 61 -12.979 7.195 -9.370 1.00 0.00 H new ATOM 1003 N ASN A 62 -12.509 9.940 -4.472 1.00 0.00 N ATOM 1004 CA ASN A 62 -13.516 10.815 -3.859 1.00 0.00 C ATOM 1005 C ASN A 62 -14.486 10.019 -2.987 1.00 0.00 C ATOM 1006 O ASN A 62 -15.438 9.416 -3.483 1.00 0.00 O ATOM 1007 CB ASN A 62 -14.297 11.595 -4.926 1.00 0.00 C ATOM 1008 CG ASN A 62 -15.206 12.671 -4.343 1.00 0.00 C ATOM 1009 OD1 ASN A 62 -15.602 12.620 -3.177 1.00 0.00 O ATOM 1010 ND2 ASN A 62 -15.568 13.642 -5.162 1.00 0.00 N ATOM 0 H ASN A 62 -11.557 10.121 -4.154 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.982 11.525 -3.227 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.592 12.060 -5.615 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.899 10.897 -5.508 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -16.193 14.379 -4.835 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.222 13.655 -6.122 1.00 0.00 H new ATOM 1017 N THR A 63 -14.238 10.028 -1.686 1.00 0.00 N ATOM 1018 CA THR A 63 -15.113 9.362 -0.733 1.00 0.00 C ATOM 1019 C THR A 63 -14.707 9.710 0.700 1.00 0.00 C ATOM 1020 O THR A 63 -15.559 9.865 1.579 1.00 0.00 O ATOM 1021 CB THR A 63 -15.124 7.824 -0.936 1.00 0.00 C ATOM 1022 OG1 THR A 63 -15.988 7.194 0.021 1.00 0.00 O ATOM 1023 CG2 THR A 63 -13.724 7.236 -0.827 1.00 0.00 C ATOM 0 H THR A 63 -13.433 10.492 -1.264 1.00 0.00 H new ATOM 0 HA THR A 63 -16.126 9.723 -0.911 1.00 0.00 H new ATOM 0 HB THR A 63 -15.499 7.632 -1.941 1.00 0.00 H new ATOM 0 HG1 THR A 63 -15.984 6.225 -0.123 1.00 0.00 H new ATOM 0 HG21 THR A 63 -13.770 6.157 -0.974 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.083 7.679 -1.589 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.315 7.450 0.161 1.00 0.00 H new ATOM 1031 N GLY A 64 -13.409 9.869 0.926 1.00 0.00 N ATOM 1032 CA GLY A 64 -12.933 10.253 2.238 1.00 0.00 C ATOM 1033 C GLY A 64 -11.846 9.342 2.767 1.00 0.00 C ATOM 1034 O GLY A 64 -11.126 9.711 3.688 1.00 0.00 O ATOM 0 H GLY A 64 -12.680 9.739 0.225 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.554 11.274 2.196 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.770 10.253 2.936 1.00 0.00 H new ATOM 1038 N VAL A 65 -11.718 8.151 2.195 1.00 0.00 N ATOM 1039 CA VAL A 65 -10.737 7.191 2.683 1.00 0.00 C ATOM 1040 C VAL A 65 -9.347 7.462 2.125 1.00 0.00 C ATOM 1041 O VAL A 65 -9.187 7.855 0.969 1.00 0.00 O ATOM 1042 CB VAL A 65 -11.118 5.728 2.372 1.00 0.00 C ATOM 1043 CG1 VAL A 65 -12.446 5.363 3.012 1.00 0.00 C ATOM 1044 CG2 VAL A 65 -11.148 5.462 0.879 1.00 0.00 C ATOM 0 H VAL A 65 -12.274 7.830 1.402 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.729 7.324 3.765 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.345 5.092 2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -12.691 4.327 2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -12.374 5.483 4.093 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -13.228 6.017 2.626 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.420 4.422 0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.882 6.115 0.408 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.163 5.658 0.455 1.00 0.00 H new ATOM 1054 N ASP A 66 -8.351 7.252 2.969 1.00 0.00 N ATOM 1055 CA ASP A 66 -6.958 7.370 2.572 1.00 0.00 C ATOM 1056 C ASP A 66 -6.358 5.979 2.514 1.00 0.00 C ATOM 1057 O ASP A 66 -6.530 5.189 3.451 1.00 0.00 O ATOM 1058 CB ASP A 66 -6.166 8.209 3.581 1.00 0.00 C ATOM 1059 CG ASP A 66 -6.947 9.389 4.122 1.00 0.00 C ATOM 1060 OD1 ASP A 66 -7.837 9.170 4.973 1.00 0.00 O ATOM 1061 OD2 ASP A 66 -6.658 10.534 3.725 1.00 0.00 O ATOM 0 H ASP A 66 -8.485 6.995 3.947 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.908 7.861 1.600 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.860 7.573 4.412 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.255 8.572 3.105 1.00 0.00 H new ATOM 1066 N ILE A 67 -5.670 5.673 1.428 1.00 0.00 N ATOM 1067 CA ILE A 67 -5.055 4.366 1.273 1.00 0.00 C ATOM 1068 C ILE A 67 -3.633 4.401 1.802 1.00 0.00 C ATOM 1069 O ILE A 67 -2.772 5.103 1.264 1.00 0.00 O ATOM 1070 CB ILE A 67 -5.063 3.892 -0.197 1.00 0.00 C ATOM 1071 CG1 ILE A 67 -6.501 3.810 -0.718 1.00 0.00 C ATOM 1072 CG2 ILE A 67 -4.366 2.543 -0.334 1.00 0.00 C ATOM 1073 CD1 ILE A 67 -7.415 2.944 0.131 1.00 0.00 C ATOM 0 H ILE A 67 -5.523 6.308 0.644 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.644 3.652 1.848 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.515 4.618 -0.797 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -6.916 4.817 -0.770 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.487 3.418 -1.735 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.384 2.229 -1.378 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.333 2.632 0.001 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.883 1.803 0.277 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.415 2.936 -0.303 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.026 1.926 0.163 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.461 3.347 1.143 1.00 0.00 H new ATOM 1085 N ILE A 68 -3.399 3.660 2.870 1.00 0.00 N ATOM 1086 CA ILE A 68 -2.114 3.673 3.537 1.00 0.00 C ATOM 1087 C ILE A 68 -1.461 2.303 3.481 1.00 0.00 C ATOM 1088 O ILE A 68 -2.110 1.280 3.718 1.00 0.00 O ATOM 1089 CB ILE A 68 -2.243 4.114 5.015 1.00 0.00 C ATOM 1090 CG1 ILE A 68 -3.201 3.193 5.776 1.00 0.00 C ATOM 1091 CG2 ILE A 68 -2.720 5.553 5.094 1.00 0.00 C ATOM 1092 CD1 ILE A 68 -3.302 3.504 7.251 1.00 0.00 C ATOM 0 H ILE A 68 -4.088 3.039 3.294 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.490 4.395 3.010 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.260 4.043 5.481 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.193 3.267 5.330 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.872 2.161 5.653 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.807 5.851 6.139 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.004 6.202 4.590 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.693 5.641 4.610 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.998 2.810 7.722 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.320 3.402 7.713 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.661 4.525 7.384 1.00 0.00 H new ATOM 1104 N CYS A 69 -0.187 2.278 3.145 1.00 0.00 N ATOM 1105 CA CYS A 69 0.576 1.041 3.213 1.00 0.00 C ATOM 1106 C CYS A 69 1.158 0.890 4.615 1.00 0.00 C ATOM 1107 O CYS A 69 1.695 1.845 5.177 1.00 0.00 O ATOM 1108 CB CYS A 69 1.668 1.003 2.138 1.00 0.00 C ATOM 1109 SG CYS A 69 2.553 2.563 1.921 1.00 0.00 S ATOM 0 H CYS A 69 0.341 3.090 2.825 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.085 0.198 3.014 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.386 0.224 2.394 1.00 0.00 H new ATOM 0 HB3 CYS A 69 1.216 0.720 1.187 1.00 0.00 H new ATOM 0 HG CYS A 69 3.829 2.330 1.837 1.00 0.00 H new ATOM 1115 N THR A 70 1.035 -0.301 5.184 1.00 0.00 N ATOM 1116 CA THR A 70 1.319 -0.503 6.602 1.00 0.00 C ATOM 1117 C THR A 70 2.463 -1.497 6.826 1.00 0.00 C ATOM 1118 O THR A 70 2.648 -2.015 7.928 1.00 0.00 O ATOM 1119 CB THR A 70 0.038 -0.984 7.321 1.00 0.00 C ATOM 1120 OG1 THR A 70 0.240 -1.083 8.739 1.00 0.00 O ATOM 1121 CG2 THR A 70 -0.421 -2.327 6.769 1.00 0.00 C ATOM 0 H THR A 70 0.741 -1.142 4.688 1.00 0.00 H new ATOM 0 HA THR A 70 1.640 0.451 7.020 1.00 0.00 H new ATOM 0 HB THR A 70 -0.738 -0.241 7.135 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.964 -0.481 9.009 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.324 -2.645 7.290 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.632 -2.230 5.704 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.364 -3.069 6.917 1.00 0.00 H new ATOM 1129 N LYS A 71 3.242 -1.749 5.793 1.00 0.00 N ATOM 1130 CA LYS A 71 4.388 -2.631 5.925 1.00 0.00 C ATOM 1131 C LYS A 71 5.666 -1.856 5.651 1.00 0.00 C ATOM 1132 O LYS A 71 5.756 -1.134 4.662 1.00 0.00 O ATOM 1133 CB LYS A 71 4.260 -3.828 4.984 1.00 0.00 C ATOM 1134 CG LYS A 71 5.420 -4.808 5.077 1.00 0.00 C ATOM 1135 CD LYS A 71 5.107 -6.113 4.362 1.00 0.00 C ATOM 1136 CE LYS A 71 6.283 -7.074 4.402 1.00 0.00 C ATOM 1137 NZ LYS A 71 6.701 -7.398 5.790 1.00 0.00 N ATOM 0 H LYS A 71 3.106 -1.360 4.860 1.00 0.00 H new ATOM 0 HA LYS A 71 4.425 -3.015 6.945 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.332 -4.355 5.206 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.184 -3.466 3.959 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.313 -4.359 4.642 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.643 -5.010 6.124 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.239 -6.582 4.825 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.842 -5.905 3.325 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.015 -7.994 3.882 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.125 -6.637 3.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.517 -8.043 5.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.966 -6.523 6.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.913 -7.855 6.292 1.00 0.00 H new ATOM 1151 N ASN A 72 6.636 -1.995 6.539 1.00 0.00 N ATOM 1152 CA ASN A 72 7.883 -1.251 6.431 1.00 0.00 C ATOM 1153 C ASN A 72 8.825 -1.960 5.464 1.00 0.00 C ATOM 1154 O ASN A 72 9.332 -3.042 5.768 1.00 0.00 O ATOM 1155 CB ASN A 72 8.573 -1.110 7.798 1.00 0.00 C ATOM 1156 CG ASN A 72 7.796 -0.256 8.789 1.00 0.00 C ATOM 1157 OD1 ASN A 72 6.482 -0.425 8.834 1.00 0.00 O flip ATOM 1158 ND2 ASN A 72 8.383 0.539 9.529 1.00 0.00 N flip ATOM 0 H ASN A 72 6.585 -2.618 7.345 1.00 0.00 H new ATOM 0 HA ASN A 72 7.646 -0.254 6.060 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.721 -2.102 8.225 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.562 -0.674 7.653 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.396 0.642 9.466 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.855 1.093 10.204 1.00 0.00 H new ATOM 1165 N LEU A 73 9.039 -1.370 4.297 1.00 0.00 N ATOM 1166 CA LEU A 73 9.945 -1.955 3.311 1.00 0.00 C ATOM 1167 C LEU A 73 11.370 -1.467 3.536 1.00 0.00 C ATOM 1168 O LEU A 73 11.598 -0.273 3.725 1.00 0.00 O ATOM 1169 CB LEU A 73 9.523 -1.614 1.873 1.00 0.00 C ATOM 1170 CG LEU A 73 8.273 -2.325 1.346 1.00 0.00 C ATOM 1171 CD1 LEU A 73 7.014 -1.726 1.941 1.00 0.00 C ATOM 1172 CD2 LEU A 73 8.226 -2.258 -0.172 1.00 0.00 C ATOM 0 H LEU A 73 8.603 -0.494 4.008 1.00 0.00 H new ATOM 0 HA LEU A 73 9.898 -3.036 3.441 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.357 -0.539 1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.355 -1.847 1.208 1.00 0.00 H new ATOM 0 HG LEU A 73 8.325 -3.371 1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.142 -2.250 1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.041 -1.826 3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.953 -0.671 1.676 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.332 -2.768 -0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.202 -1.216 -0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.111 -2.743 -0.585 1.00 0.00 H new ATOM 1184 N PRO A 74 12.345 -2.387 3.549 1.00 0.00 N ATOM 1185 CA PRO A 74 13.762 -2.028 3.595 1.00 0.00 C ATOM 1186 C PRO A 74 14.189 -1.297 2.326 1.00 0.00 C ATOM 1187 O PRO A 74 13.946 -1.770 1.209 1.00 0.00 O ATOM 1188 CB PRO A 74 14.488 -3.375 3.704 1.00 0.00 C ATOM 1189 CG PRO A 74 13.441 -4.357 4.111 1.00 0.00 C ATOM 1190 CD PRO A 74 12.148 -3.843 3.546 1.00 0.00 C ATOM 0 HA PRO A 74 13.987 -1.355 4.422 1.00 0.00 H new ATOM 0 HB2 PRO A 74 14.941 -3.655 2.753 1.00 0.00 H new ATOM 0 HB3 PRO A 74 15.292 -3.330 4.439 1.00 0.00 H new ATOM 0 HG2 PRO A 74 13.667 -5.351 3.725 1.00 0.00 H new ATOM 0 HG3 PRO A 74 13.386 -4.441 5.196 1.00 0.00 H new ATOM 0 HD2 PRO A 74 11.966 -4.224 2.541 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.295 -4.137 4.157 1.00 0.00 H new