USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 903 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 91 MET CE :methyl -159:sc= -1.53 (180deg=-3.37!) USER MOD Set 1.2: A 125 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 76 SER OG : rot 169:sc= -3.81! USER MOD Set 2.2: A 79 GLN : amide:sc= -6.78! C(o=-11!,f=-18!) USER MOD Set 3.1: A 30 ASN : amide:sc= -10.4! C(o=-15!,f=-4.4!) USER MOD Set 3.2: A 34 ASN : amide:sc= -4.62! C(o=-15!,f=-13!) USER MOD Set 4.1: A 19 ASN : amide:sc= 0.139 K(o=0.29,f=-1) USER MOD Set 4.2: A 22 LYS NZ :NH3+ -144:sc= 0.154 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 23:sc= 0.259 USER MOD Single : A 13 HIS : no HD1:sc= -0.496 X(o=-0.5,f=-0.64) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 72:sc= 0.752 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -164:sc=-0.00973 (180deg=-0.217) USER MOD Single : A 32 HIS : no HD1:sc= -2.1 K(o=-2.1,f=-5.1!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -5.94! C(o=-5.9!,f=-5.3!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0581 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.293 USER MOD Single : A 46 GLN : amide:sc= -4.61! K(o=-4.6!,f=-5.2) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.763 K(o=-0.76,f=-5.3!) USER MOD Single : A 85 SER OG : rot 99:sc= -1.28! USER MOD Single : A 92 GLN : amide:sc= -2.84! C(o=-2.8!,f=-4.4!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -135:sc= -2.86 (180deg=-5.76!) USER MOD Single : A 108 ASN : amide:sc= -4.7! C(o=-4.7!,f=-9!) USER MOD Single : A 109 CYS SG : rot 180:sc= -4.18! USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 119:sc= 0.216 USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.485 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 THR OG1 : rot 92:sc= 1.23 USER MOD Single : A 124 LYS NZ :NH3+ -120:sc= -7.93! (180deg=-9.83!) USER MOD Single : A 127 ASN : amide:sc= -1.68 K(o=-1.7,f=0.036) USER MOD ----------------------------------------------------------------- ATOM 137 N THR A 9 18.961 -6.617 0.608 1.00 1.61 N ATOM 138 CA THR A 9 19.680 -5.384 1.044 1.00 1.66 C ATOM 139 C THR A 9 18.830 -4.588 2.026 1.00 1.62 C ATOM 140 O THR A 9 19.335 -3.948 2.925 1.00 1.65 O ATOM 141 CB THR A 9 20.003 -4.518 -0.175 1.00 1.71 C ATOM 142 OG1 THR A 9 20.646 -5.313 -1.161 1.00 1.71 O ATOM 143 CG2 THR A 9 20.925 -3.371 0.241 1.00 1.78 C ATOM 0 HA THR A 9 20.605 -5.677 1.540 1.00 1.66 H new ATOM 0 HB THR A 9 19.080 -4.107 -0.585 1.00 1.71 H new ATOM 0 HG1 THR A 9 20.416 -6.255 -1.023 1.00 1.71 H new ATOM 0 HG21 THR A 9 21.154 -2.755 -0.628 1.00 1.78 H new ATOM 0 HG22 THR A 9 20.430 -2.762 0.997 1.00 1.78 H new ATOM 0 HG23 THR A 9 21.849 -3.778 0.651 1.00 1.78 H new ATOM 151 N LEU A 10 17.549 -4.612 1.862 1.00 1.55 N ATOM 152 CA LEU A 10 16.676 -3.837 2.788 1.00 1.52 C ATOM 153 C LEU A 10 16.682 -4.477 4.186 1.00 1.51 C ATOM 154 O LEU A 10 16.919 -3.818 5.179 1.00 1.54 O ATOM 155 CB LEU A 10 15.241 -3.805 2.227 1.00 1.44 C ATOM 156 CG LEU A 10 14.506 -2.530 2.701 1.00 1.43 C ATOM 157 CD1 LEU A 10 14.802 -1.367 1.747 1.00 1.48 C ATOM 158 CD2 LEU A 10 12.993 -2.780 2.726 1.00 1.36 C ATOM 0 H LEU A 10 17.061 -5.131 1.131 1.00 1.55 H new ATOM 0 HA LEU A 10 17.056 -2.819 2.873 1.00 1.52 H new ATOM 0 HB2 LEU A 10 15.269 -3.833 1.138 1.00 1.44 H new ATOM 0 HB3 LEU A 10 14.696 -4.690 2.555 1.00 1.44 H new ATOM 0 HG LEU A 10 14.855 -2.279 3.703 1.00 1.43 H new ATOM 0 HD11 LEU A 10 14.280 -0.474 2.089 1.00 1.48 H new ATOM 0 HD12 LEU A 10 15.875 -1.176 1.729 1.00 1.48 H new ATOM 0 HD13 LEU A 10 14.462 -1.624 0.744 1.00 1.48 H new ATOM 0 HD21 LEU A 10 12.481 -1.878 3.061 1.00 1.36 H new ATOM 0 HD22 LEU A 10 12.651 -3.041 1.725 1.00 1.36 H new ATOM 0 HD23 LEU A 10 12.771 -3.599 3.410 1.00 1.36 H new ATOM 170 N PHE A 11 16.403 -5.749 4.271 1.00 1.48 N ATOM 171 CA PHE A 11 16.363 -6.432 5.599 1.00 1.48 C ATOM 172 C PHE A 11 17.757 -6.909 6.010 1.00 1.55 C ATOM 173 O PHE A 11 17.962 -7.315 7.137 1.00 1.57 O ATOM 174 CB PHE A 11 15.415 -7.635 5.493 1.00 1.42 C ATOM 175 CG PHE A 11 14.003 -7.154 5.592 1.00 1.36 C ATOM 176 CD1 PHE A 11 13.419 -6.659 4.458 1.00 1.31 C ATOM 177 CD2 PHE A 11 13.310 -7.171 6.807 1.00 1.34 C ATOM 178 CE1 PHE A 11 12.117 -6.163 4.492 1.00 1.25 C ATOM 179 CE2 PHE A 11 11.998 -6.685 6.860 1.00 1.27 C ATOM 180 CZ PHE A 11 11.399 -6.177 5.699 1.00 1.23 C ATOM 0 H PHE A 11 16.199 -6.350 3.473 1.00 1.48 H new ATOM 0 HA PHE A 11 16.011 -5.731 6.356 1.00 1.48 H new ATOM 0 HB2 PHE A 11 15.570 -8.154 4.547 1.00 1.42 H new ATOM 0 HB3 PHE A 11 15.625 -8.351 6.288 1.00 1.42 H new ATOM 0 HD1 PHE A 11 13.971 -6.653 3.530 1.00 1.31 H new ATOM 0 HD2 PHE A 11 13.784 -7.556 7.698 1.00 1.34 H new ATOM 0 HE1 PHE A 11 11.662 -5.770 3.595 1.00 1.25 H new ATOM 0 HE2 PHE A 11 11.450 -6.701 7.791 1.00 1.27 H new ATOM 0 HZ PHE A 11 10.388 -5.798 5.733 1.00 1.23 H new ATOM 190 N ASP A 12 18.710 -6.877 5.114 1.00 1.58 N ATOM 191 CA ASP A 12 20.097 -7.350 5.467 1.00 1.65 C ATOM 192 C ASP A 12 21.091 -6.185 5.460 1.00 1.70 C ATOM 193 O ASP A 12 22.253 -6.367 5.763 1.00 1.75 O ATOM 194 CB ASP A 12 20.558 -8.403 4.455 1.00 1.68 C ATOM 195 CG ASP A 12 19.412 -9.375 4.166 1.00 1.63 C ATOM 196 OD1 ASP A 12 18.428 -9.329 4.886 1.00 1.65 O ATOM 197 OD2 ASP A 12 19.537 -10.148 3.231 1.00 1.58 O ATOM 0 H ASP A 12 18.596 -6.547 4.156 1.00 1.58 H new ATOM 0 HA ASP A 12 20.064 -7.781 6.468 1.00 1.65 H new ATOM 0 HB2 ASP A 12 20.879 -7.919 3.533 1.00 1.68 H new ATOM 0 HB3 ASP A 12 21.418 -8.946 4.846 1.00 1.68 H new ATOM 202 N HIS A 13 20.670 -4.994 5.112 1.00 1.70 N ATOM 203 CA HIS A 13 21.643 -3.853 5.094 1.00 1.76 C ATOM 204 C HIS A 13 20.951 -2.523 5.422 1.00 1.73 C ATOM 205 O HIS A 13 21.456 -1.469 5.092 1.00 1.77 O ATOM 206 CB HIS A 13 22.284 -3.765 3.705 1.00 1.80 C ATOM 207 CG HIS A 13 23.536 -2.930 3.772 1.00 1.86 C ATOM 208 ND1 HIS A 13 24.458 -3.062 4.798 1.00 1.87 N ATOM 209 CD2 HIS A 13 24.031 -1.952 2.946 1.00 1.91 C ATOM 210 CE1 HIS A 13 25.451 -2.184 4.566 1.00 1.93 C ATOM 211 NE2 HIS A 13 25.240 -1.482 3.449 1.00 1.95 N ATOM 0 H HIS A 13 19.713 -4.762 4.844 1.00 1.70 H new ATOM 0 HA HIS A 13 22.403 -4.035 5.854 1.00 1.76 H new ATOM 0 HB2 HIS A 13 22.522 -4.764 3.340 1.00 1.80 H new ATOM 0 HB3 HIS A 13 21.581 -3.326 2.997 1.00 1.80 H new ATOM 0 HD2 HIS A 13 23.554 -1.601 2.043 1.00 1.91 H new ATOM 0 HE1 HIS A 13 26.313 -2.062 5.205 1.00 1.93 H new ATOM 0 HE2 HIS A 13 25.837 -0.757 3.051 1.00 1.95 H new ATOM 219 N ALA A 14 19.819 -2.543 6.079 1.00 1.66 N ATOM 220 CA ALA A 14 19.150 -1.247 6.419 1.00 1.63 C ATOM 221 C ALA A 14 17.869 -1.481 7.234 1.00 1.56 C ATOM 222 O ALA A 14 16.784 -1.232 6.748 1.00 1.51 O ATOM 223 CB ALA A 14 18.807 -0.501 5.123 1.00 1.62 C ATOM 0 H ALA A 14 19.334 -3.384 6.391 1.00 1.66 H new ATOM 0 HA ALA A 14 19.834 -0.652 7.025 1.00 1.63 H new ATOM 0 HB1 ALA A 14 18.320 0.443 5.365 1.00 1.62 H new ATOM 0 HB2 ALA A 14 19.721 -0.305 4.563 1.00 1.62 H new ATOM 0 HB3 ALA A 14 18.136 -1.111 4.519 1.00 1.62 H new ATOM 229 N PRO A 15 18.026 -1.922 8.462 1.00 1.57 N ATOM 230 CA PRO A 15 16.878 -2.148 9.350 1.00 1.51 C ATOM 231 C PRO A 15 16.303 -0.787 9.782 1.00 1.50 C ATOM 232 O PRO A 15 15.216 -0.700 10.317 1.00 1.44 O ATOM 233 CB PRO A 15 17.468 -2.906 10.565 1.00 1.54 C ATOM 234 CG PRO A 15 19.006 -3.004 10.356 1.00 1.62 C ATOM 235 CD PRO A 15 19.340 -2.242 9.058 1.00 1.64 C ATOM 0 HA PRO A 15 16.071 -2.709 8.879 1.00 1.51 H new ATOM 0 HB2 PRO A 15 17.240 -2.380 11.492 1.00 1.54 H new ATOM 0 HB3 PRO A 15 17.028 -3.900 10.646 1.00 1.54 H new ATOM 0 HG2 PRO A 15 19.538 -2.571 11.204 1.00 1.62 H new ATOM 0 HG3 PRO A 15 19.318 -4.046 10.282 1.00 1.62 H new ATOM 0 HD2 PRO A 15 19.911 -1.337 9.266 1.00 1.64 H new ATOM 0 HD3 PRO A 15 19.942 -2.852 8.385 1.00 1.64 H new ATOM 243 N ASP A 16 17.047 0.272 9.573 1.00 1.55 N ATOM 244 CA ASP A 16 16.568 1.629 9.994 1.00 1.55 C ATOM 245 C ASP A 16 15.709 2.271 8.897 1.00 1.52 C ATOM 246 O ASP A 16 14.625 2.764 9.150 1.00 1.48 O ATOM 247 CB ASP A 16 17.776 2.524 10.274 1.00 1.63 C ATOM 248 CG ASP A 16 18.501 2.023 11.525 1.00 1.65 C ATOM 249 OD1 ASP A 16 18.058 2.351 12.613 1.00 1.64 O ATOM 250 OD2 ASP A 16 19.486 1.319 11.373 1.00 1.68 O ATOM 0 H ASP A 16 17.965 0.257 9.129 1.00 1.55 H new ATOM 0 HA ASP A 16 15.961 1.520 10.892 1.00 1.55 H new ATOM 0 HB2 ASP A 16 18.454 2.517 9.420 1.00 1.63 H new ATOM 0 HB3 ASP A 16 17.453 3.555 10.416 1.00 1.63 H new ATOM 255 N LYS A 17 16.181 2.272 7.683 1.00 1.55 N ATOM 256 CA LYS A 17 15.386 2.883 6.584 1.00 1.54 C ATOM 257 C LYS A 17 14.132 2.048 6.401 1.00 1.46 C ATOM 258 O LYS A 17 13.106 2.522 5.967 1.00 1.42 O ATOM 259 CB LYS A 17 16.195 2.894 5.286 1.00 1.59 C ATOM 260 CG LYS A 17 17.483 3.692 5.493 1.00 1.67 C ATOM 261 CD LYS A 17 18.205 3.852 4.154 1.00 1.72 C ATOM 262 CE LYS A 17 19.637 4.329 4.399 1.00 1.80 C ATOM 263 NZ LYS A 17 20.228 4.804 3.115 1.00 1.80 N ATOM 0 H LYS A 17 17.080 1.878 7.405 1.00 1.55 H new ATOM 0 HA LYS A 17 15.130 3.913 6.833 1.00 1.54 H new ATOM 0 HB2 LYS A 17 16.432 1.874 4.984 1.00 1.59 H new ATOM 0 HB3 LYS A 17 15.606 3.336 4.482 1.00 1.59 H new ATOM 0 HG2 LYS A 17 17.253 4.671 5.914 1.00 1.67 H new ATOM 0 HG3 LYS A 17 18.129 3.182 6.208 1.00 1.67 H new ATOM 0 HD2 LYS A 17 18.213 2.903 3.618 1.00 1.72 H new ATOM 0 HD3 LYS A 17 17.675 4.568 3.526 1.00 1.72 H new ATOM 0 HE2 LYS A 17 19.643 5.134 5.134 1.00 1.80 H new ATOM 0 HE3 LYS A 17 20.237 3.517 4.810 1.00 1.80 H new ATOM 0 HZ1 LYS A 17 21.202 5.129 3.280 1.00 1.80 H new ATOM 0 HZ2 LYS A 17 20.235 4.024 2.427 1.00 1.80 H new ATOM 0 HZ3 LYS A 17 19.660 5.591 2.741 1.00 1.80 H new ATOM 277 N LEU A 18 14.207 0.802 6.757 1.00 1.43 N ATOM 278 CA LEU A 18 13.021 -0.078 6.640 1.00 1.36 C ATOM 279 C LEU A 18 11.864 0.603 7.381 1.00 1.31 C ATOM 280 O LEU A 18 10.726 0.610 6.938 1.00 1.26 O ATOM 281 CB LEU A 18 13.368 -1.441 7.290 1.00 1.35 C ATOM 282 CG LEU A 18 12.896 -2.603 6.406 1.00 1.35 C ATOM 283 CD1 LEU A 18 13.432 -3.937 6.950 1.00 1.28 C ATOM 284 CD2 LEU A 18 11.367 -2.628 6.389 1.00 1.41 C ATOM 0 H LEU A 18 15.045 0.353 7.126 1.00 1.43 H new ATOM 0 HA LEU A 18 12.735 -0.246 5.602 1.00 1.36 H new ATOM 0 HB2 LEU A 18 14.445 -1.511 7.446 1.00 1.35 H new ATOM 0 HB3 LEU A 18 12.899 -1.511 8.271 1.00 1.35 H new ATOM 0 HG LEU A 18 13.275 -2.463 5.393 1.00 1.35 H new ATOM 0 HD11 LEU A 18 13.090 -4.753 6.314 1.00 1.28 H new ATOM 0 HD12 LEU A 18 14.522 -3.915 6.958 1.00 1.28 H new ATOM 0 HD13 LEU A 18 13.065 -4.090 7.965 1.00 1.28 H new ATOM 0 HD21 LEU A 18 11.024 -3.451 5.763 1.00 1.41 H new ATOM 0 HD22 LEU A 18 10.994 -2.764 7.404 1.00 1.41 H new ATOM 0 HD23 LEU A 18 10.992 -1.686 5.988 1.00 1.41 H new ATOM 296 N ASN A 19 12.168 1.198 8.501 1.00 1.33 N ATOM 297 CA ASN A 19 11.114 1.898 9.285 1.00 1.29 C ATOM 298 C ASN A 19 10.732 3.191 8.570 1.00 1.30 C ATOM 299 O ASN A 19 9.570 3.494 8.388 1.00 1.25 O ATOM 300 CB ASN A 19 11.645 2.222 10.684 1.00 1.32 C ATOM 301 CG ASN A 19 10.496 2.714 11.566 1.00 1.27 C ATOM 302 OD1 ASN A 19 9.505 2.031 11.730 1.00 1.29 O ATOM 303 ND2 ASN A 19 10.587 3.880 12.146 1.00 1.22 N ATOM 0 H ASN A 19 13.103 1.229 8.907 1.00 1.33 H new ATOM 0 HA ASN A 19 10.237 1.257 9.374 1.00 1.29 H new ATOM 0 HB2 ASN A 19 12.102 1.336 11.125 1.00 1.32 H new ATOM 0 HB3 ASN A 19 12.422 2.984 10.622 1.00 1.32 H new ATOM 0 HD21 ASN A 19 9.826 4.217 12.736 1.00 1.22 H new ATOM 0 HD22 ASN A 19 11.419 4.454 12.009 1.00 1.22 H new ATOM 310 N VAL A 20 11.703 3.957 8.158 1.00 1.36 N ATOM 311 CA VAL A 20 11.394 5.231 7.451 1.00 1.38 C ATOM 312 C VAL A 20 10.718 4.932 6.108 1.00 1.34 C ATOM 313 O VAL A 20 9.894 5.693 5.639 1.00 1.32 O ATOM 314 CB VAL A 20 12.689 6.003 7.202 1.00 1.46 C ATOM 315 CG1 VAL A 20 12.376 7.301 6.456 1.00 1.48 C ATOM 316 CG2 VAL A 20 13.353 6.332 8.541 1.00 1.50 C ATOM 0 H VAL A 20 12.696 3.757 8.280 1.00 1.36 H new ATOM 0 HA VAL A 20 10.722 5.827 8.068 1.00 1.38 H new ATOM 0 HB VAL A 20 13.364 5.393 6.601 1.00 1.46 H new ATOM 0 HG11 VAL A 20 13.300 7.851 6.279 1.00 1.48 H new ATOM 0 HG12 VAL A 20 11.904 7.067 5.502 1.00 1.48 H new ATOM 0 HG13 VAL A 20 11.700 7.911 7.055 1.00 1.48 H new ATOM 0 HG21 VAL A 20 14.277 6.883 8.363 1.00 1.50 H new ATOM 0 HG22 VAL A 20 12.678 6.941 9.142 1.00 1.50 H new ATOM 0 HG23 VAL A 20 13.578 5.407 9.072 1.00 1.50 H new ATOM 326 N VAL A 21 11.061 3.838 5.479 1.00 1.33 N ATOM 327 CA VAL A 21 10.434 3.518 4.165 1.00 1.30 C ATOM 328 C VAL A 21 8.933 3.268 4.356 1.00 1.22 C ATOM 329 O VAL A 21 8.126 3.760 3.592 1.00 1.19 O ATOM 330 CB VAL A 21 11.115 2.287 3.540 1.00 1.30 C ATOM 331 CG1 VAL A 21 10.315 1.808 2.319 1.00 1.26 C ATOM 332 CG2 VAL A 21 12.541 2.661 3.090 1.00 1.38 C ATOM 0 H VAL A 21 11.743 3.158 5.816 1.00 1.33 H new ATOM 0 HA VAL A 21 10.565 4.362 3.488 1.00 1.30 H new ATOM 0 HB VAL A 21 11.156 1.490 4.283 1.00 1.30 H new ATOM 0 HG11 VAL A 21 10.804 0.937 1.883 1.00 1.26 H new ATOM 0 HG12 VAL A 21 9.305 1.540 2.628 1.00 1.26 H new ATOM 0 HG13 VAL A 21 10.268 2.606 1.579 1.00 1.26 H new ATOM 0 HG21 VAL A 21 13.023 1.789 2.647 1.00 1.38 H new ATOM 0 HG22 VAL A 21 12.491 3.462 2.352 1.00 1.38 H new ATOM 0 HG23 VAL A 21 13.118 2.997 3.952 1.00 1.38 H new ATOM 342 N LYS A 22 8.529 2.532 5.365 1.00 1.19 N ATOM 343 CA LYS A 22 7.079 2.318 5.551 1.00 1.12 C ATOM 344 C LYS A 22 6.448 3.689 5.778 1.00 1.12 C ATOM 345 O LYS A 22 5.463 4.015 5.178 1.00 1.09 O ATOM 346 CB LYS A 22 6.848 1.373 6.750 1.00 1.09 C ATOM 347 CG LYS A 22 5.407 1.515 7.329 1.00 1.03 C ATOM 348 CD LYS A 22 5.447 1.431 8.862 1.00 1.03 C ATOM 349 CE LYS A 22 6.001 2.744 9.440 1.00 1.09 C ATOM 350 NZ LYS A 22 6.834 2.441 10.639 1.00 1.14 N ATOM 0 H LYS A 22 9.136 2.082 6.050 1.00 1.19 H new ATOM 0 HA LYS A 22 6.623 1.848 4.680 1.00 1.12 H new ATOM 0 HB2 LYS A 22 7.014 0.342 6.438 1.00 1.09 H new ATOM 0 HB3 LYS A 22 7.577 1.591 7.531 1.00 1.09 H new ATOM 0 HG2 LYS A 22 4.974 2.466 7.020 1.00 1.03 H new ATOM 0 HG3 LYS A 22 4.767 0.728 6.930 1.00 1.03 H new ATOM 0 HD2 LYS A 22 4.446 1.245 9.252 1.00 1.03 H new ATOM 0 HD3 LYS A 22 6.071 0.594 9.174 1.00 1.03 H new ATOM 0 HE2 LYS A 22 6.598 3.262 8.689 1.00 1.09 H new ATOM 0 HE3 LYS A 22 5.182 3.410 9.711 1.00 1.09 H new ATOM 0 HZ1 LYS A 22 6.710 3.193 11.347 1.00 1.14 H new ATOM 0 HZ2 LYS A 22 6.539 1.530 11.046 1.00 1.14 H new ATOM 0 HZ3 LYS A 22 7.835 2.388 10.362 1.00 1.14 H new ATOM 364 N LYS A 23 6.999 4.474 6.658 1.00 1.17 N ATOM 365 CA LYS A 23 6.413 5.824 6.944 1.00 1.18 C ATOM 366 C LYS A 23 6.289 6.664 5.662 1.00 1.20 C ATOM 367 O LYS A 23 5.452 7.543 5.567 1.00 1.20 O ATOM 368 CB LYS A 23 7.304 6.569 7.947 1.00 1.25 C ATOM 369 CG LYS A 23 7.303 5.837 9.301 1.00 1.23 C ATOM 370 CD LYS A 23 7.699 6.804 10.424 1.00 1.29 C ATOM 371 CE LYS A 23 9.153 7.242 10.238 1.00 1.36 C ATOM 372 NZ LYS A 23 9.586 8.039 11.421 1.00 1.39 N ATOM 0 H LYS A 23 7.834 4.244 7.197 1.00 1.17 H new ATOM 0 HA LYS A 23 5.416 5.677 7.359 1.00 1.18 H new ATOM 0 HB2 LYS A 23 8.321 6.636 7.562 1.00 1.25 H new ATOM 0 HB3 LYS A 23 6.944 7.590 8.076 1.00 1.25 H new ATOM 0 HG2 LYS A 23 6.314 5.423 9.499 1.00 1.23 H new ATOM 0 HG3 LYS A 23 7.999 4.999 9.270 1.00 1.23 H new ATOM 0 HD2 LYS A 23 7.043 7.674 10.416 1.00 1.29 H new ATOM 0 HD3 LYS A 23 7.576 6.321 11.393 1.00 1.29 H new ATOM 0 HE2 LYS A 23 9.795 6.369 10.119 1.00 1.36 H new ATOM 0 HE3 LYS A 23 9.252 7.836 9.330 1.00 1.36 H new ATOM 0 HZ1 LYS A 23 10.574 8.337 11.296 1.00 1.39 H new ATOM 0 HZ2 LYS A 23 8.980 8.879 11.514 1.00 1.39 H new ATOM 0 HZ3 LYS A 23 9.506 7.457 12.279 1.00 1.39 H new ATOM 386 N THR A 24 7.098 6.416 4.670 1.00 1.22 N ATOM 387 CA THR A 24 6.988 7.224 3.417 1.00 1.24 C ATOM 388 C THR A 24 5.870 6.637 2.568 1.00 1.18 C ATOM 389 O THR A 24 5.126 7.341 1.906 1.00 1.18 O ATOM 390 CB THR A 24 8.315 7.177 2.653 1.00 1.30 C ATOM 391 OG1 THR A 24 9.367 7.587 3.515 1.00 1.36 O ATOM 392 CG2 THR A 24 8.257 8.112 1.439 1.00 1.31 C ATOM 0 H THR A 24 7.823 5.699 4.668 1.00 1.22 H new ATOM 0 HA THR A 24 6.765 8.264 3.655 1.00 1.24 H new ATOM 0 HB THR A 24 8.494 6.158 2.309 1.00 1.30 H new ATOM 0 HG1 THR A 24 9.532 6.890 4.184 1.00 1.36 H new ATOM 0 HG21 THR A 24 9.205 8.071 0.903 1.00 1.31 H new ATOM 0 HG22 THR A 24 7.451 7.798 0.776 1.00 1.31 H new ATOM 0 HG23 THR A 24 8.073 9.133 1.774 1.00 1.31 H new ATOM 400 N LEU A 25 5.710 5.353 2.620 1.00 1.13 N ATOM 401 CA LEU A 25 4.613 4.729 1.862 1.00 1.07 C ATOM 402 C LEU A 25 3.316 5.233 2.488 1.00 1.03 C ATOM 403 O LEU A 25 2.321 5.440 1.817 1.00 0.99 O ATOM 404 CB LEU A 25 4.748 3.212 1.967 1.00 1.03 C ATOM 405 CG LEU A 25 5.988 2.770 1.175 1.00 1.08 C ATOM 406 CD1 LEU A 25 6.274 1.297 1.464 1.00 1.06 C ATOM 407 CD2 LEU A 25 5.768 2.976 -0.342 1.00 1.09 C ATOM 0 H LEU A 25 6.294 4.711 3.156 1.00 1.13 H new ATOM 0 HA LEU A 25 4.631 4.984 0.802 1.00 1.07 H new ATOM 0 HB2 LEU A 25 4.840 2.913 3.011 1.00 1.03 H new ATOM 0 HB3 LEU A 25 3.856 2.725 1.574 1.00 1.03 H new ATOM 0 HG LEU A 25 6.839 3.377 1.484 1.00 1.08 H new ATOM 0 HD11 LEU A 25 7.153 0.980 0.903 1.00 1.06 H new ATOM 0 HD12 LEU A 25 6.456 1.164 2.530 1.00 1.06 H new ATOM 0 HD13 LEU A 25 5.417 0.694 1.165 1.00 1.06 H new ATOM 0 HD21 LEU A 25 6.658 2.657 -0.885 1.00 1.09 H new ATOM 0 HD22 LEU A 25 4.912 2.386 -0.669 1.00 1.09 H new ATOM 0 HD23 LEU A 25 5.579 4.031 -0.542 1.00 1.09 H new ATOM 419 N ILE A 26 3.344 5.499 3.773 1.00 1.04 N ATOM 420 CA ILE A 26 2.142 6.058 4.432 1.00 1.01 C ATOM 421 C ILE A 26 1.845 7.371 3.732 1.00 1.05 C ATOM 422 O ILE A 26 0.781 7.577 3.239 1.00 1.02 O ATOM 423 CB ILE A 26 2.412 6.327 5.929 1.00 1.03 C ATOM 424 CG1 ILE A 26 2.700 5.008 6.647 1.00 0.99 C ATOM 425 CG2 ILE A 26 1.189 6.978 6.590 1.00 1.02 C ATOM 426 CD1 ILE A 26 2.857 5.249 8.153 1.00 1.01 C ATOM 0 H ILE A 26 4.148 5.351 4.383 1.00 1.04 H new ATOM 0 HA ILE A 26 1.308 5.360 4.366 1.00 1.01 H new ATOM 0 HB ILE A 26 3.268 6.997 6.004 1.00 1.03 H new ATOM 0 HG12 ILE A 26 1.889 4.303 6.467 1.00 0.99 H new ATOM 0 HG13 ILE A 26 3.609 4.558 6.247 1.00 0.99 H new ATOM 0 HG21 ILE A 26 1.399 7.160 7.644 1.00 1.02 H new ATOM 0 HG22 ILE A 26 0.969 7.924 6.096 1.00 1.02 H new ATOM 0 HG23 ILE A 26 0.330 6.313 6.500 1.00 1.02 H new ATOM 0 HD11 ILE A 26 3.062 4.303 8.654 1.00 1.01 H new ATOM 0 HD12 ILE A 26 3.684 5.938 8.327 1.00 1.01 H new ATOM 0 HD13 ILE A 26 1.937 5.678 8.551 1.00 1.01 H new ATOM 438 N THR A 27 2.796 8.261 3.693 1.00 1.11 N ATOM 439 CA THR A 27 2.567 9.581 3.031 1.00 1.15 C ATOM 440 C THR A 27 1.832 9.412 1.679 1.00 1.12 C ATOM 441 O THR A 27 0.926 10.163 1.367 1.00 1.12 O ATOM 442 CB THR A 27 3.930 10.269 2.825 1.00 1.23 C ATOM 443 OG1 THR A 27 4.389 10.769 4.073 1.00 1.27 O ATOM 444 CG2 THR A 27 3.801 11.430 1.834 1.00 1.27 C ATOM 0 H THR A 27 3.726 8.133 4.092 1.00 1.11 H new ATOM 0 HA THR A 27 1.932 10.197 3.667 1.00 1.15 H new ATOM 0 HB THR A 27 4.637 9.543 2.425 1.00 1.23 H new ATOM 0 HG1 THR A 27 5.257 11.207 3.951 1.00 1.27 H new ATOM 0 HG21 THR A 27 4.773 11.904 1.701 1.00 1.27 H new ATOM 0 HG22 THR A 27 3.447 11.052 0.875 1.00 1.27 H new ATOM 0 HG23 THR A 27 3.091 12.161 2.220 1.00 1.27 H new ATOM 452 N PHE A 28 2.208 8.454 0.871 1.00 1.10 N ATOM 453 CA PHE A 28 1.518 8.284 -0.455 1.00 1.07 C ATOM 454 C PHE A 28 0.016 8.000 -0.225 1.00 1.01 C ATOM 455 O PHE A 28 -0.854 8.665 -0.783 1.00 1.02 O ATOM 456 CB PHE A 28 2.226 7.147 -1.247 1.00 1.05 C ATOM 457 CG PHE A 28 1.279 6.416 -2.180 1.00 1.03 C ATOM 458 CD1 PHE A 28 0.729 7.080 -3.283 1.00 1.08 C ATOM 459 CD2 PHE A 28 0.943 5.076 -1.932 1.00 0.97 C ATOM 460 CE1 PHE A 28 -0.158 6.407 -4.129 1.00 1.06 C ATOM 461 CE2 PHE A 28 0.061 4.406 -2.786 1.00 0.96 C ATOM 462 CZ PHE A 28 -0.492 5.073 -3.882 1.00 1.00 C ATOM 0 H PHE A 28 2.954 7.786 1.064 1.00 1.10 H new ATOM 0 HA PHE A 28 1.584 9.196 -1.048 1.00 1.07 H new ATOM 0 HB2 PHE A 28 3.048 7.568 -1.825 1.00 1.05 H new ATOM 0 HB3 PHE A 28 2.661 6.436 -0.545 1.00 1.05 H new ATOM 0 HD1 PHE A 28 0.989 8.110 -3.480 1.00 1.08 H new ATOM 0 HD2 PHE A 28 1.366 4.562 -1.081 1.00 0.97 H new ATOM 0 HE1 PHE A 28 -0.587 6.921 -4.977 1.00 1.06 H new ATOM 0 HE2 PHE A 28 -0.193 3.373 -2.598 1.00 0.96 H new ATOM 0 HZ PHE A 28 -1.178 4.558 -4.538 1.00 1.00 H new ATOM 472 N VAL A 29 -0.309 7.046 0.603 1.00 0.97 N ATOM 473 CA VAL A 29 -1.752 6.766 0.860 1.00 0.92 C ATOM 474 C VAL A 29 -2.383 7.985 1.550 1.00 0.95 C ATOM 475 O VAL A 29 -3.477 8.395 1.226 1.00 0.94 O ATOM 476 CB VAL A 29 -1.889 5.530 1.755 1.00 0.86 C ATOM 477 CG1 VAL A 29 -3.321 4.988 1.676 1.00 0.81 C ATOM 478 CG2 VAL A 29 -0.911 4.450 1.282 1.00 0.85 C ATOM 0 H VAL A 29 0.351 6.454 1.107 1.00 0.97 H new ATOM 0 HA VAL A 29 -2.264 6.575 -0.083 1.00 0.92 H new ATOM 0 HB VAL A 29 -1.664 5.805 2.786 1.00 0.86 H new ATOM 0 HG11 VAL A 29 -3.413 4.109 2.314 1.00 0.81 H new ATOM 0 HG12 VAL A 29 -4.019 5.755 2.011 1.00 0.81 H new ATOM 0 HG13 VAL A 29 -3.550 4.714 0.646 1.00 0.81 H new ATOM 0 HG21 VAL A 29 -1.006 3.569 1.917 1.00 0.85 H new ATOM 0 HG22 VAL A 29 -1.138 4.180 0.251 1.00 0.85 H new ATOM 0 HG23 VAL A 29 0.108 4.831 1.341 1.00 0.85 H new ATOM 488 N ASN A 30 -1.681 8.568 2.487 1.00 0.99 N ATOM 489 CA ASN A 30 -2.192 9.766 3.210 1.00 1.03 C ATOM 490 C ASN A 30 -2.547 10.842 2.192 1.00 1.06 C ATOM 491 O ASN A 30 -3.315 11.721 2.455 1.00 1.09 O ATOM 492 CB ASN A 30 -1.093 10.300 4.145 1.00 1.08 C ATOM 493 CG ASN A 30 -1.711 10.907 5.407 1.00 1.08 C ATOM 494 OD1 ASN A 30 -1.764 12.111 5.559 1.00 1.11 O ATOM 495 ND2 ASN A 30 -2.183 10.110 6.321 1.00 1.06 N ATOM 0 H ASN A 30 -0.757 8.256 2.786 1.00 0.99 H new ATOM 0 HA ASN A 30 -3.073 9.500 3.794 1.00 1.03 H new ATOM 0 HB2 ASN A 30 -0.415 9.491 4.418 1.00 1.08 H new ATOM 0 HB3 ASN A 30 -0.499 11.052 3.626 1.00 1.08 H new ATOM 0 HD21 ASN A 30 -2.599 10.496 7.169 1.00 1.06 H new ATOM 0 HD22 ASN A 30 -2.137 9.100 6.190 1.00 1.06 H new ATOM 502 N LYS A 31 -1.975 10.771 1.036 1.00 1.07 N ATOM 503 CA LYS A 31 -2.255 11.791 -0.002 1.00 1.11 C ATOM 504 C LYS A 31 -3.607 11.492 -0.615 1.00 1.06 C ATOM 505 O LYS A 31 -4.490 12.333 -0.656 1.00 1.08 O ATOM 506 CB LYS A 31 -1.174 11.734 -1.083 1.00 1.13 C ATOM 507 CG LYS A 31 -1.294 12.959 -1.991 1.00 1.18 C ATOM 508 CD LYS A 31 -0.122 12.984 -2.973 1.00 1.19 C ATOM 509 CE LYS A 31 -0.242 14.210 -3.881 1.00 1.23 C ATOM 510 NZ LYS A 31 -1.377 14.017 -4.827 1.00 1.29 N ATOM 0 H LYS A 31 -1.317 10.043 0.759 1.00 1.07 H new ATOM 0 HA LYS A 31 -2.258 12.787 0.441 1.00 1.11 H new ATOM 0 HB2 LYS A 31 -0.186 11.705 -0.623 1.00 1.13 H new ATOM 0 HB3 LYS A 31 -1.280 10.822 -1.670 1.00 1.13 H new ATOM 0 HG2 LYS A 31 -2.238 12.930 -2.536 1.00 1.18 H new ATOM 0 HG3 LYS A 31 -1.300 13.870 -1.392 1.00 1.18 H new ATOM 0 HD2 LYS A 31 0.822 13.013 -2.428 1.00 1.19 H new ATOM 0 HD3 LYS A 31 -0.117 12.074 -3.572 1.00 1.19 H new ATOM 0 HE2 LYS A 31 -0.403 15.106 -3.281 1.00 1.23 H new ATOM 0 HE3 LYS A 31 0.685 14.359 -4.434 1.00 1.23 H new ATOM 0 HZ1 LYS A 31 -1.299 14.700 -5.607 1.00 1.29 H new ATOM 0 HZ2 LYS A 31 -1.350 13.050 -5.209 1.00 1.29 H new ATOM 0 HZ3 LYS A 31 -2.276 14.165 -4.326 1.00 1.29 H new ATOM 524 N HIS A 32 -3.802 10.288 -1.062 1.00 1.01 N ATOM 525 CA HIS A 32 -5.070 9.931 -1.626 1.00 0.97 C ATOM 526 C HIS A 32 -6.086 9.994 -0.489 1.00 0.95 C ATOM 527 O HIS A 32 -7.228 10.330 -0.670 1.00 0.95 O ATOM 528 CB HIS A 32 -4.885 8.508 -2.141 1.00 0.91 C ATOM 529 CG HIS A 32 -4.631 8.483 -3.626 1.00 0.93 C ATOM 530 ND1 HIS A 32 -4.816 7.336 -4.375 1.00 0.89 N ATOM 531 CD2 HIS A 32 -4.143 9.426 -4.497 1.00 0.98 C ATOM 532 CE1 HIS A 32 -4.435 7.604 -5.631 1.00 0.93 C ATOM 533 NE2 HIS A 32 -4.019 8.867 -5.765 1.00 0.98 N ATOM 0 H HIS A 32 -3.107 9.542 -1.048 1.00 1.01 H new ATOM 0 HA HIS A 32 -5.413 10.579 -2.433 1.00 0.97 H new ATOM 0 HB2 HIS A 32 -4.050 8.038 -1.621 1.00 0.91 H new ATOM 0 HB3 HIS A 32 -5.774 7.920 -1.914 1.00 0.91 H new ATOM 0 HD2 HIS A 32 -3.894 10.444 -4.238 1.00 0.98 H new ATOM 0 HE1 HIS A 32 -4.461 6.886 -6.438 1.00 0.93 H new ATOM 0 HE2 HIS A 32 -3.683 9.323 -6.614 1.00 0.98 H new ATOM 541 N LEU A 33 -5.648 9.705 0.699 1.00 0.95 N ATOM 542 CA LEU A 33 -6.561 9.762 1.859 1.00 0.94 C ATOM 543 C LEU A 33 -6.759 11.225 2.225 1.00 1.01 C ATOM 544 O LEU A 33 -7.870 11.687 2.391 1.00 1.02 O ATOM 545 CB LEU A 33 -5.930 8.984 3.012 1.00 0.92 C ATOM 546 CG LEU A 33 -6.278 7.485 2.923 1.00 0.85 C ATOM 547 CD1 LEU A 33 -5.394 6.716 3.906 1.00 0.82 C ATOM 548 CD2 LEU A 33 -7.762 7.241 3.272 1.00 0.84 C ATOM 0 H LEU A 33 -4.690 9.430 0.915 1.00 0.95 H new ATOM 0 HA LEU A 33 -7.530 9.317 1.633 1.00 0.94 H new ATOM 0 HB2 LEU A 33 -4.848 9.111 2.992 1.00 0.92 H new ATOM 0 HB3 LEU A 33 -6.281 9.387 3.962 1.00 0.92 H new ATOM 0 HG LEU A 33 -6.105 7.142 1.903 1.00 0.85 H new ATOM 0 HD11 LEU A 33 -5.630 5.653 3.853 1.00 0.82 H new ATOM 0 HD12 LEU A 33 -4.346 6.868 3.648 1.00 0.82 H new ATOM 0 HD13 LEU A 33 -5.575 7.078 4.918 1.00 0.82 H new ATOM 0 HD21 LEU A 33 -7.982 6.176 3.202 1.00 0.84 H new ATOM 0 HD22 LEU A 33 -7.959 7.586 4.287 1.00 0.84 H new ATOM 0 HD23 LEU A 33 -8.395 7.789 2.574 1.00 0.84 H new ATOM 560 N ASN A 34 -5.694 11.974 2.336 1.00 1.05 N ATOM 561 CA ASN A 34 -5.861 13.414 2.671 1.00 1.12 C ATOM 562 C ASN A 34 -6.886 14.041 1.716 1.00 1.14 C ATOM 563 O ASN A 34 -7.472 15.060 2.022 1.00 1.18 O ATOM 564 CB ASN A 34 -4.520 14.155 2.539 1.00 1.18 C ATOM 565 CG ASN A 34 -3.666 13.912 3.788 1.00 1.25 C ATOM 566 OD1 ASN A 34 -2.502 13.577 3.685 1.00 1.26 O ATOM 567 ND2 ASN A 34 -4.197 14.067 4.969 1.00 1.29 N ATOM 0 H ASN A 34 -4.733 11.657 2.211 1.00 1.05 H new ATOM 0 HA ASN A 34 -6.210 13.499 3.700 1.00 1.12 H new ATOM 0 HB2 ASN A 34 -3.989 13.810 1.652 1.00 1.18 H new ATOM 0 HB3 ASN A 34 -4.696 15.223 2.410 1.00 1.18 H new ATOM 0 HD21 ASN A 34 -3.636 13.907 5.806 1.00 1.29 H new ATOM 0 HD22 ASN A 34 -5.174 14.348 5.056 1.00 1.29 H new ATOM 574 N LYS A 35 -7.119 13.458 0.558 1.00 1.11 N ATOM 575 CA LYS A 35 -8.117 14.081 -0.364 1.00 1.13 C ATOM 576 C LYS A 35 -9.457 14.182 0.371 1.00 1.11 C ATOM 577 O LYS A 35 -9.959 15.262 0.611 1.00 1.16 O ATOM 578 CB LYS A 35 -8.256 13.219 -1.640 1.00 1.10 C ATOM 579 CG LYS A 35 -8.035 14.076 -2.901 1.00 0.97 C ATOM 580 CD LYS A 35 -6.533 14.370 -3.076 1.00 1.01 C ATOM 581 CE LYS A 35 -5.835 13.187 -3.769 1.00 1.10 C ATOM 582 NZ LYS A 35 -5.803 13.427 -5.240 1.00 1.15 N ATOM 0 H LYS A 35 -6.674 12.604 0.223 1.00 1.11 H new ATOM 0 HA LYS A 35 -7.791 15.078 -0.662 1.00 1.13 H new ATOM 0 HB2 LYS A 35 -7.532 12.405 -1.616 1.00 1.10 H new ATOM 0 HB3 LYS A 35 -9.246 12.764 -1.672 1.00 1.10 H new ATOM 0 HG2 LYS A 35 -8.417 13.554 -3.778 1.00 0.97 H new ATOM 0 HG3 LYS A 35 -8.591 15.010 -2.819 1.00 0.97 H new ATOM 0 HD2 LYS A 35 -6.399 15.277 -3.666 1.00 1.01 H new ATOM 0 HD3 LYS A 35 -6.075 14.552 -2.104 1.00 1.01 H new ATOM 0 HE2 LYS A 35 -4.821 13.073 -3.385 1.00 1.10 H new ATOM 0 HE3 LYS A 35 -6.365 12.259 -3.552 1.00 1.10 H new ATOM 0 HZ1 LYS A 35 -5.332 12.629 -5.712 1.00 1.15 H new ATOM 0 HZ2 LYS A 35 -6.775 13.516 -5.598 1.00 1.15 H new ATOM 0 HZ3 LYS A 35 -5.280 14.304 -5.437 1.00 1.15 H new ATOM 596 N LEU A 36 -10.028 13.073 0.760 1.00 1.04 N ATOM 597 CA LEU A 36 -11.313 13.153 1.510 1.00 1.02 C ATOM 598 C LEU A 36 -10.979 13.657 2.917 1.00 1.05 C ATOM 599 O LEU A 36 -11.832 13.852 3.754 1.00 1.03 O ATOM 600 CB LEU A 36 -11.971 11.766 1.554 1.00 0.95 C ATOM 601 CG LEU A 36 -13.239 11.778 2.426 1.00 0.94 C ATOM 602 CD1 LEU A 36 -14.161 12.932 2.010 1.00 0.97 C ATOM 603 CD2 LEU A 36 -13.976 10.446 2.248 1.00 0.89 C ATOM 0 H LEU A 36 -9.668 12.133 0.595 1.00 1.04 H new ATOM 0 HA LEU A 36 -12.018 13.832 1.030 1.00 1.02 H new ATOM 0 HB2 LEU A 36 -12.225 11.449 0.543 1.00 0.95 H new ATOM 0 HB3 LEU A 36 -11.263 11.037 1.948 1.00 0.95 H new ATOM 0 HG LEU A 36 -12.957 11.915 3.470 1.00 0.94 H new ATOM 0 HD11 LEU A 36 -15.054 12.928 2.635 1.00 0.97 H new ATOM 0 HD12 LEU A 36 -13.636 13.879 2.133 1.00 0.97 H new ATOM 0 HD13 LEU A 36 -14.449 12.809 0.966 1.00 0.97 H new ATOM 0 HD21 LEU A 36 -14.877 10.444 2.862 1.00 0.89 H new ATOM 0 HD22 LEU A 36 -14.250 10.319 1.201 1.00 0.89 H new ATOM 0 HD23 LEU A 36 -13.326 9.627 2.555 1.00 0.89 H new ATOM 615 N ASN A 37 -9.716 13.897 3.146 1.00 1.11 N ATOM 616 CA ASN A 37 -9.236 14.417 4.446 1.00 1.16 C ATOM 617 C ASN A 37 -9.328 13.343 5.538 1.00 1.11 C ATOM 618 O ASN A 37 -10.279 13.228 6.283 1.00 1.12 O ATOM 619 CB ASN A 37 -9.993 15.719 4.774 1.00 1.22 C ATOM 620 CG ASN A 37 -11.166 15.511 5.742 1.00 1.19 C ATOM 621 OD1 ASN A 37 -12.310 15.477 5.336 1.00 1.16 O ATOM 622 ND2 ASN A 37 -10.927 15.396 7.021 1.00 1.21 N ATOM 0 H ASN A 37 -8.978 13.747 2.458 1.00 1.11 H new ATOM 0 HA ASN A 37 -8.177 14.667 4.390 1.00 1.16 H new ATOM 0 HB2 ASN A 37 -9.296 16.437 5.207 1.00 1.22 H new ATOM 0 HB3 ASN A 37 -10.368 16.156 3.849 1.00 1.22 H new ATOM 0 HD21 ASN A 37 -11.700 15.278 7.676 1.00 1.21 H new ATOM 0 HD22 ASN A 37 -9.967 15.424 7.365 1.00 1.21 H new ATOM 629 N LEU A 38 -8.299 12.550 5.624 1.00 1.06 N ATOM 630 CA LEU A 38 -8.239 11.470 6.659 1.00 1.02 C ATOM 631 C LEU A 38 -6.797 11.379 7.175 1.00 1.02 C ATOM 632 O LEU A 38 -6.048 12.333 7.101 1.00 1.06 O ATOM 633 CB LEU A 38 -8.663 10.124 6.047 1.00 0.98 C ATOM 634 CG LEU A 38 -10.202 10.075 5.807 1.00 0.97 C ATOM 635 CD1 LEU A 38 -10.525 10.346 4.334 1.00 0.96 C ATOM 636 CD2 LEU A 38 -10.747 8.686 6.175 1.00 1.02 C ATOM 0 H LEU A 38 -7.483 12.601 5.014 1.00 1.06 H new ATOM 0 HA LEU A 38 -8.919 11.702 7.479 1.00 1.02 H new ATOM 0 HB2 LEU A 38 -8.140 9.970 5.103 1.00 0.98 H new ATOM 0 HB3 LEU A 38 -8.370 9.311 6.711 1.00 0.98 H new ATOM 0 HG LEU A 38 -10.666 10.839 6.431 1.00 0.97 H new ATOM 0 HD11 LEU A 38 -11.604 10.308 4.185 1.00 0.96 H new ATOM 0 HD12 LEU A 38 -10.155 11.333 4.056 1.00 0.96 H new ATOM 0 HD13 LEU A 38 -10.046 9.590 3.711 1.00 0.96 H new ATOM 0 HD21 LEU A 38 -11.823 8.660 6.004 1.00 1.02 H new ATOM 0 HD22 LEU A 38 -10.263 7.930 5.557 1.00 1.02 H new ATOM 0 HD23 LEU A 38 -10.541 8.481 7.226 1.00 1.02 H new ATOM 648 N GLU A 39 -6.397 10.252 7.699 1.00 1.02 N ATOM 649 CA GLU A 39 -5.004 10.128 8.216 1.00 1.03 C ATOM 650 C GLU A 39 -4.667 8.655 8.486 1.00 0.98 C ATOM 651 O GLU A 39 -5.274 8.011 9.318 1.00 0.95 O ATOM 652 CB GLU A 39 -4.872 10.926 9.516 1.00 1.08 C ATOM 653 CG GLU A 39 -3.401 10.987 9.931 1.00 1.11 C ATOM 654 CD GLU A 39 -3.260 11.834 11.198 1.00 1.16 C ATOM 655 OE1 GLU A 39 -4.079 11.674 12.088 1.00 1.13 O ATOM 656 OE2 GLU A 39 -2.336 12.628 11.255 1.00 1.24 O ATOM 0 H GLU A 39 -6.972 9.415 7.791 1.00 1.02 H new ATOM 0 HA GLU A 39 -4.312 10.519 7.470 1.00 1.03 H new ATOM 0 HB2 GLU A 39 -5.264 11.934 9.378 1.00 1.08 H new ATOM 0 HB3 GLU A 39 -5.464 10.459 10.303 1.00 1.08 H new ATOM 0 HG2 GLU A 39 -3.021 9.981 10.110 1.00 1.11 H new ATOM 0 HG3 GLU A 39 -2.803 11.415 9.127 1.00 1.11 H new ATOM 663 N VAL A 40 -3.695 8.124 7.789 1.00 0.98 N ATOM 664 CA VAL A 40 -3.293 6.693 7.991 1.00 0.94 C ATOM 665 C VAL A 40 -2.015 6.647 8.837 1.00 0.95 C ATOM 666 O VAL A 40 -1.286 7.615 8.926 1.00 0.99 O ATOM 667 CB VAL A 40 -3.042 6.056 6.619 1.00 0.91 C ATOM 668 CG1 VAL A 40 -2.152 6.984 5.771 1.00 0.94 C ATOM 669 CG2 VAL A 40 -2.371 4.685 6.791 1.00 0.89 C ATOM 0 H VAL A 40 -3.156 8.623 7.081 1.00 0.98 H new ATOM 0 HA VAL A 40 -4.081 6.144 8.507 1.00 0.94 H new ATOM 0 HB VAL A 40 -3.995 5.916 6.108 1.00 0.91 H new ATOM 0 HG11 VAL A 40 -1.976 6.528 4.797 1.00 0.94 H new ATOM 0 HG12 VAL A 40 -2.650 7.944 5.638 1.00 0.94 H new ATOM 0 HG13 VAL A 40 -1.199 7.137 6.278 1.00 0.94 H new ATOM 0 HG21 VAL A 40 -2.197 4.240 5.811 1.00 0.89 H new ATOM 0 HG22 VAL A 40 -1.420 4.808 7.308 1.00 0.89 H new ATOM 0 HG23 VAL A 40 -3.020 4.033 7.375 1.00 0.89 H new ATOM 679 N THR A 41 -1.743 5.531 9.471 1.00 0.93 N ATOM 680 CA THR A 41 -0.516 5.429 10.324 1.00 0.95 C ATOM 681 C THR A 41 0.089 4.024 10.226 1.00 0.91 C ATOM 682 O THR A 41 1.283 3.848 10.366 1.00 0.96 O ATOM 683 CB THR A 41 -0.898 5.699 11.786 1.00 1.01 C ATOM 684 OG1 THR A 41 -1.859 6.744 11.837 1.00 1.12 O ATOM 685 CG2 THR A 41 0.344 6.106 12.584 1.00 1.20 C ATOM 0 H THR A 41 -2.316 4.688 9.435 1.00 0.93 H new ATOM 0 HA THR A 41 0.215 6.159 9.978 1.00 0.95 H new ATOM 0 HB THR A 41 -1.319 4.792 12.220 1.00 1.01 H new ATOM 0 HG1 THR A 41 -2.105 6.917 12.770 1.00 1.12 H new ATOM 0 HG21 THR A 41 0.065 6.296 13.620 1.00 1.20 H new ATOM 0 HG22 THR A 41 1.079 5.302 12.548 1.00 1.20 H new ATOM 0 HG23 THR A 41 0.774 7.010 12.153 1.00 1.20 H new ATOM 693 N GLU A 42 -0.726 3.020 10.009 1.00 0.86 N ATOM 694 CA GLU A 42 -0.201 1.617 9.926 1.00 0.83 C ATOM 695 C GLU A 42 -0.333 1.102 8.501 1.00 0.81 C ATOM 696 O GLU A 42 -1.258 0.393 8.172 1.00 0.88 O ATOM 697 CB GLU A 42 -1.016 0.722 10.861 1.00 0.78 C ATOM 698 CG GLU A 42 -0.643 1.024 12.315 1.00 0.77 C ATOM 699 CD GLU A 42 0.749 0.463 12.617 1.00 0.78 C ATOM 700 OE1 GLU A 42 1.210 -0.372 11.857 1.00 0.83 O ATOM 701 OE2 GLU A 42 1.330 0.880 13.606 1.00 0.84 O ATOM 0 H GLU A 42 -1.734 3.110 9.885 1.00 0.86 H new ATOM 0 HA GLU A 42 0.849 1.605 10.219 1.00 0.83 H new ATOM 0 HB2 GLU A 42 -2.082 0.891 10.706 1.00 0.78 H new ATOM 0 HB3 GLU A 42 -0.824 -0.327 10.636 1.00 0.78 H new ATOM 0 HG2 GLU A 42 -0.658 2.100 12.488 1.00 0.77 H new ATOM 0 HG3 GLU A 42 -1.378 0.583 12.988 1.00 0.77 H new ATOM 708 N LEU A 43 0.594 1.431 7.651 1.00 0.80 N ATOM 709 CA LEU A 43 0.509 0.942 6.257 1.00 0.78 C ATOM 710 C LEU A 43 0.417 -0.586 6.296 1.00 0.74 C ATOM 711 O LEU A 43 -0.384 -1.201 5.618 1.00 0.70 O ATOM 712 CB LEU A 43 1.760 1.440 5.506 1.00 0.86 C ATOM 713 CG LEU A 43 2.086 0.607 4.249 1.00 0.83 C ATOM 714 CD1 LEU A 43 2.719 -0.759 4.623 1.00 0.85 C ATOM 715 CD2 LEU A 43 0.820 0.415 3.375 1.00 0.90 C ATOM 0 H LEU A 43 1.403 2.015 7.862 1.00 0.80 H new ATOM 0 HA LEU A 43 -0.371 1.317 5.734 1.00 0.78 H new ATOM 0 HB2 LEU A 43 1.612 2.480 5.216 1.00 0.86 H new ATOM 0 HB3 LEU A 43 2.615 1.416 6.182 1.00 0.86 H new ATOM 0 HG LEU A 43 2.822 1.159 3.664 1.00 0.83 H new ATOM 0 HD11 LEU A 43 2.936 -1.320 3.714 1.00 0.85 H new ATOM 0 HD12 LEU A 43 3.643 -0.592 5.176 1.00 0.85 H new ATOM 0 HD13 LEU A 43 2.023 -1.325 5.242 1.00 0.85 H new ATOM 0 HD21 LEU A 43 1.072 -0.175 2.494 1.00 0.90 H new ATOM 0 HD22 LEU A 43 0.055 -0.104 3.952 1.00 0.90 H new ATOM 0 HD23 LEU A 43 0.442 1.389 3.064 1.00 0.90 H new ATOM 727 N GLU A 44 1.229 -1.206 7.093 1.00 0.79 N ATOM 728 CA GLU A 44 1.192 -2.696 7.175 1.00 0.77 C ATOM 729 C GLU A 44 -0.250 -3.209 7.410 1.00 0.69 C ATOM 730 O GLU A 44 -0.815 -3.951 6.620 1.00 0.70 O ATOM 731 CB GLU A 44 2.095 -3.161 8.344 1.00 0.83 C ATOM 732 CG GLU A 44 2.988 -2.014 8.811 1.00 0.84 C ATOM 733 CD GLU A 44 3.972 -2.524 9.866 1.00 0.99 C ATOM 734 OE1 GLU A 44 3.624 -3.459 10.568 1.00 1.11 O ATOM 735 OE2 GLU A 44 5.055 -1.970 9.953 1.00 1.14 O ATOM 0 H GLU A 44 1.918 -0.753 7.693 1.00 0.79 H new ATOM 0 HA GLU A 44 1.551 -3.103 6.230 1.00 0.77 H new ATOM 0 HB2 GLU A 44 1.479 -3.511 9.172 1.00 0.83 H new ATOM 0 HB3 GLU A 44 2.709 -4.003 8.025 1.00 0.83 H new ATOM 0 HG2 GLU A 44 3.532 -1.596 7.964 1.00 0.84 H new ATOM 0 HG3 GLU A 44 2.378 -1.211 9.226 1.00 0.84 H new ATOM 742 N THR A 45 -0.828 -2.839 8.510 1.00 0.65 N ATOM 743 CA THR A 45 -2.198 -3.318 8.843 1.00 0.60 C ATOM 744 C THR A 45 -3.254 -2.607 8.000 1.00 0.58 C ATOM 745 O THR A 45 -4.429 -2.888 8.110 1.00 0.58 O ATOM 746 CB THR A 45 -2.475 -3.054 10.331 1.00 0.65 C ATOM 747 OG1 THR A 45 -2.809 -1.683 10.504 1.00 0.84 O ATOM 748 CG2 THR A 45 -1.232 -3.388 11.183 1.00 0.64 C ATOM 0 H THR A 45 -0.409 -2.219 9.203 1.00 0.65 H new ATOM 0 HA THR A 45 -2.252 -4.385 8.629 1.00 0.60 H new ATOM 0 HB THR A 45 -3.301 -3.688 10.655 1.00 0.65 H new ATOM 0 HG1 THR A 45 -2.989 -1.507 11.451 1.00 0.84 H new ATOM 0 HG21 THR A 45 -1.448 -3.194 12.234 1.00 0.64 H new ATOM 0 HG22 THR A 45 -0.974 -4.439 11.053 1.00 0.64 H new ATOM 0 HG23 THR A 45 -0.395 -2.767 10.864 1.00 0.64 H new ATOM 756 N GLN A 46 -2.872 -1.701 7.150 1.00 0.59 N ATOM 757 CA GLN A 46 -3.892 -1.019 6.332 1.00 0.59 C ATOM 758 C GLN A 46 -4.363 -1.987 5.264 1.00 0.54 C ATOM 759 O GLN A 46 -5.435 -1.841 4.712 1.00 0.58 O ATOM 760 CB GLN A 46 -3.311 0.250 5.699 1.00 0.65 C ATOM 761 CG GLN A 46 -3.346 1.407 6.727 1.00 0.66 C ATOM 762 CD GLN A 46 -4.558 2.314 6.472 1.00 0.78 C ATOM 763 OE1 GLN A 46 -4.508 3.196 5.637 1.00 0.81 O ATOM 764 NE2 GLN A 46 -5.651 2.132 7.160 1.00 1.04 N ATOM 0 H GLN A 46 -1.908 -1.409 6.991 1.00 0.59 H new ATOM 0 HA GLN A 46 -4.734 -0.717 6.955 1.00 0.59 H new ATOM 0 HB2 GLN A 46 -2.286 0.070 5.374 1.00 0.65 H new ATOM 0 HB3 GLN A 46 -3.884 0.521 4.812 1.00 0.65 H new ATOM 0 HG2 GLN A 46 -3.393 1.002 7.738 1.00 0.66 H new ATOM 0 HG3 GLN A 46 -2.427 1.990 6.659 1.00 0.66 H new ATOM 0 HE21 GLN A 46 -5.695 1.392 7.861 1.00 1.04 H new ATOM 0 HE22 GLN A 46 -6.462 2.729 6.997 1.00 1.04 H new ATOM 773 N PHE A 47 -3.584 -3.007 4.991 1.00 0.50 N ATOM 774 CA PHE A 47 -4.004 -4.004 3.994 1.00 0.49 C ATOM 775 C PHE A 47 -4.661 -5.125 4.760 1.00 0.46 C ATOM 776 O PHE A 47 -5.376 -5.934 4.214 1.00 0.49 O ATOM 777 CB PHE A 47 -2.789 -4.523 3.234 1.00 0.54 C ATOM 778 CG PHE A 47 -2.409 -3.532 2.155 1.00 0.63 C ATOM 779 CD1 PHE A 47 -1.888 -2.282 2.510 1.00 0.75 C ATOM 780 CD2 PHE A 47 -2.583 -3.859 0.805 1.00 0.71 C ATOM 781 CE1 PHE A 47 -1.540 -1.360 1.516 1.00 0.87 C ATOM 782 CE2 PHE A 47 -2.234 -2.937 -0.190 1.00 0.83 C ATOM 783 CZ PHE A 47 -1.713 -1.688 0.166 1.00 0.89 C ATOM 0 H PHE A 47 -2.677 -3.180 5.424 1.00 0.50 H new ATOM 0 HA PHE A 47 -4.691 -3.573 3.265 1.00 0.49 H new ATOM 0 HB2 PHE A 47 -1.954 -4.670 3.919 1.00 0.54 H new ATOM 0 HB3 PHE A 47 -3.011 -5.493 2.790 1.00 0.54 H new ATOM 0 HD1 PHE A 47 -1.755 -2.029 3.551 1.00 0.75 H new ATOM 0 HD2 PHE A 47 -2.986 -4.822 0.531 1.00 0.71 H new ATOM 0 HE1 PHE A 47 -1.138 -0.396 1.790 1.00 0.87 H new ATOM 0 HE2 PHE A 47 -2.367 -3.190 -1.232 1.00 0.83 H new ATOM 0 HZ PHE A 47 -1.444 -0.977 -0.601 1.00 0.89 H new ATOM 793 N ALA A 48 -4.450 -5.141 6.042 1.00 0.42 N ATOM 794 CA ALA A 48 -5.084 -6.183 6.899 1.00 0.40 C ATOM 795 C ALA A 48 -6.589 -5.986 6.878 1.00 0.36 C ATOM 796 O ALA A 48 -7.293 -6.345 7.798 1.00 0.36 O ATOM 797 CB ALA A 48 -4.567 -6.090 8.336 1.00 0.42 C ATOM 0 H ALA A 48 -3.861 -4.473 6.540 1.00 0.42 H new ATOM 0 HA ALA A 48 -4.831 -7.169 6.510 1.00 0.40 H new ATOM 0 HB1 ALA A 48 -5.043 -6.859 8.944 1.00 0.42 H new ATOM 0 HB2 ALA A 48 -3.487 -6.237 8.344 1.00 0.42 H new ATOM 0 HB3 ALA A 48 -4.803 -5.107 8.745 1.00 0.42 H new ATOM 803 N ASP A 49 -7.079 -5.408 5.826 1.00 0.34 N ATOM 804 CA ASP A 49 -8.534 -5.169 5.710 1.00 0.32 C ATOM 805 C ASP A 49 -8.836 -4.725 4.268 1.00 0.31 C ATOM 806 O ASP A 49 -9.967 -4.727 3.827 1.00 0.31 O ATOM 807 CB ASP A 49 -8.919 -4.064 6.714 1.00 0.32 C ATOM 808 CG ASP A 49 -10.248 -4.389 7.408 1.00 0.33 C ATOM 809 OD1 ASP A 49 -10.443 -5.540 7.763 1.00 0.34 O ATOM 810 OD2 ASP A 49 -11.045 -3.480 7.574 1.00 0.36 O ATOM 0 H ASP A 49 -6.525 -5.087 5.032 1.00 0.34 H new ATOM 0 HA ASP A 49 -9.108 -6.069 5.931 1.00 0.32 H new ATOM 0 HB2 ASP A 49 -8.132 -3.956 7.460 1.00 0.32 H new ATOM 0 HB3 ASP A 49 -9.000 -3.109 6.195 1.00 0.32 H new ATOM 815 N GLY A 50 -7.817 -4.354 3.536 1.00 0.32 N ATOM 816 CA GLY A 50 -8.016 -3.905 2.121 1.00 0.33 C ATOM 817 C GLY A 50 -9.157 -2.871 2.019 1.00 0.33 C ATOM 818 O GLY A 50 -9.528 -2.451 0.935 1.00 0.34 O ATOM 0 H GLY A 50 -6.849 -4.342 3.858 1.00 0.32 H new ATOM 0 HA2 GLY A 50 -7.092 -3.469 1.742 1.00 0.33 H new ATOM 0 HA3 GLY A 50 -8.244 -4.766 1.492 1.00 0.33 H new ATOM 822 N VAL A 51 -9.717 -2.445 3.121 1.00 0.33 N ATOM 823 CA VAL A 51 -10.819 -1.438 3.044 1.00 0.36 C ATOM 824 C VAL A 51 -10.218 -0.078 2.703 1.00 0.40 C ATOM 825 O VAL A 51 -10.511 0.516 1.677 1.00 0.42 O ATOM 826 CB VAL A 51 -11.516 -1.338 4.400 1.00 0.37 C ATOM 827 CG1 VAL A 51 -12.732 -0.413 4.294 1.00 0.43 C ATOM 828 CG2 VAL A 51 -11.973 -2.729 4.852 1.00 0.36 C ATOM 0 H VAL A 51 -9.463 -2.746 4.062 1.00 0.33 H new ATOM 0 HA VAL A 51 -11.538 -1.740 2.282 1.00 0.36 H new ATOM 0 HB VAL A 51 -10.815 -0.931 5.129 1.00 0.37 H new ATOM 0 HG11 VAL A 51 -13.224 -0.346 5.264 1.00 0.43 H new ATOM 0 HG12 VAL A 51 -12.408 0.580 3.983 1.00 0.43 H new ATOM 0 HG13 VAL A 51 -13.431 -0.813 3.560 1.00 0.43 H new ATOM 0 HG21 VAL A 51 -12.469 -2.652 5.819 1.00 0.36 H new ATOM 0 HG22 VAL A 51 -12.668 -3.140 4.119 1.00 0.36 H new ATOM 0 HG23 VAL A 51 -11.107 -3.386 4.939 1.00 0.36 H new ATOM 838 N TYR A 52 -9.358 0.412 3.551 1.00 0.41 N ATOM 839 CA TYR A 52 -8.717 1.719 3.279 1.00 0.47 C ATOM 840 C TYR A 52 -8.070 1.647 1.900 1.00 0.47 C ATOM 841 O TYR A 52 -7.663 2.640 1.331 1.00 0.51 O ATOM 842 CB TYR A 52 -7.649 1.992 4.340 1.00 0.49 C ATOM 843 CG TYR A 52 -8.258 1.828 5.714 1.00 0.51 C ATOM 844 CD1 TYR A 52 -9.108 2.816 6.225 1.00 0.48 C ATOM 845 CD2 TYR A 52 -7.975 0.687 6.476 1.00 0.57 C ATOM 846 CE1 TYR A 52 -9.674 2.664 7.496 1.00 0.51 C ATOM 847 CE2 TYR A 52 -8.541 0.535 7.747 1.00 0.60 C ATOM 848 CZ TYR A 52 -9.391 1.524 8.257 1.00 0.57 C ATOM 849 OH TYR A 52 -9.950 1.374 9.510 1.00 0.60 O ATOM 0 H TYR A 52 -9.074 -0.040 4.420 1.00 0.41 H new ATOM 0 HA TYR A 52 -9.454 2.522 3.308 1.00 0.47 H new ATOM 0 HB2 TYR A 52 -6.812 1.305 4.216 1.00 0.49 H new ATOM 0 HB3 TYR A 52 -7.253 3.001 4.223 1.00 0.49 H new ATOM 0 HD1 TYR A 52 -9.327 3.696 5.638 1.00 0.48 H new ATOM 0 HD2 TYR A 52 -7.320 -0.076 6.082 1.00 0.57 H new ATOM 0 HE1 TYR A 52 -10.329 3.427 7.890 1.00 0.51 H new ATOM 0 HE2 TYR A 52 -8.322 -0.345 8.334 1.00 0.60 H new ATOM 0 HH TYR A 52 -9.652 0.527 9.902 1.00 0.60 H new ATOM 859 N LEU A 53 -7.969 0.460 1.364 1.00 0.43 N ATOM 860 CA LEU A 53 -7.332 0.298 0.027 1.00 0.44 C ATOM 861 C LEU A 53 -8.307 0.690 -1.090 1.00 0.45 C ATOM 862 O LEU A 53 -8.015 1.573 -1.875 1.00 0.50 O ATOM 863 CB LEU A 53 -6.868 -1.152 -0.147 1.00 0.41 C ATOM 864 CG LEU A 53 -5.871 -1.277 -1.315 1.00 0.44 C ATOM 865 CD1 LEU A 53 -4.596 -0.446 -1.046 1.00 0.44 C ATOM 866 CD2 LEU A 53 -5.490 -2.754 -1.476 1.00 0.46 C ATOM 0 H LEU A 53 -8.300 -0.403 1.795 1.00 0.43 H new ATOM 0 HA LEU A 53 -6.468 0.959 -0.036 1.00 0.44 H new ATOM 0 HB2 LEU A 53 -6.400 -1.501 0.774 1.00 0.41 H new ATOM 0 HB3 LEU A 53 -7.730 -1.794 -0.330 1.00 0.41 H new ATOM 0 HG LEU A 53 -6.339 -0.899 -2.224 1.00 0.44 H new ATOM 0 HD11 LEU A 53 -3.909 -0.552 -1.886 1.00 0.44 H new ATOM 0 HD12 LEU A 53 -4.864 0.604 -0.927 1.00 0.44 H new ATOM 0 HD13 LEU A 53 -4.114 -0.803 -0.136 1.00 0.44 H new ATOM 0 HD21 LEU A 53 -4.784 -2.860 -2.300 1.00 0.46 H new ATOM 0 HD22 LEU A 53 -5.030 -3.114 -0.555 1.00 0.46 H new ATOM 0 HD23 LEU A 53 -6.385 -3.340 -1.687 1.00 0.46 H new ATOM 878 N VAL A 54 -9.467 0.084 -1.204 1.00 0.43 N ATOM 879 CA VAL A 54 -10.351 0.538 -2.312 1.00 0.46 C ATOM 880 C VAL A 54 -10.601 2.037 -2.140 1.00 0.51 C ATOM 881 O VAL A 54 -10.887 2.745 -3.085 1.00 0.55 O ATOM 882 CB VAL A 54 -11.671 -0.211 -2.304 1.00 0.44 C ATOM 883 CG1 VAL A 54 -12.518 0.267 -3.489 1.00 0.49 C ATOM 884 CG2 VAL A 54 -11.399 -1.713 -2.432 1.00 0.41 C ATOM 0 H VAL A 54 -9.822 -0.665 -0.610 1.00 0.43 H new ATOM 0 HA VAL A 54 -9.865 0.337 -3.267 1.00 0.46 H new ATOM 0 HB VAL A 54 -12.205 -0.022 -1.373 1.00 0.44 H new ATOM 0 HG11 VAL A 54 -13.470 -0.264 -3.494 1.00 0.49 H new ATOM 0 HG12 VAL A 54 -12.701 1.338 -3.397 1.00 0.49 H new ATOM 0 HG13 VAL A 54 -11.987 0.068 -4.420 1.00 0.49 H new ATOM 0 HG21 VAL A 54 -12.344 -2.256 -2.427 1.00 0.41 H new ATOM 0 HG22 VAL A 54 -10.873 -1.909 -3.366 1.00 0.41 H new ATOM 0 HG23 VAL A 54 -10.786 -2.044 -1.594 1.00 0.41 H new ATOM 894 N LEU A 55 -10.458 2.528 -0.936 1.00 0.52 N ATOM 895 CA LEU A 55 -10.646 3.988 -0.693 1.00 0.58 C ATOM 896 C LEU A 55 -9.528 4.726 -1.453 1.00 0.62 C ATOM 897 O LEU A 55 -9.766 5.682 -2.157 1.00 0.66 O ATOM 898 CB LEU A 55 -10.538 4.238 0.829 1.00 0.59 C ATOM 899 CG LEU A 55 -11.948 4.288 1.487 1.00 0.60 C ATOM 900 CD1 LEU A 55 -11.915 3.645 2.880 1.00 0.58 C ATOM 901 CD2 LEU A 55 -12.400 5.746 1.624 1.00 0.67 C ATOM 0 H LEU A 55 -10.219 1.979 -0.110 1.00 0.52 H new ATOM 0 HA LEU A 55 -11.617 4.344 -1.038 1.00 0.58 H new ATOM 0 HB2 LEU A 55 -9.945 3.448 1.290 1.00 0.59 H new ATOM 0 HB3 LEU A 55 -10.014 5.176 1.011 1.00 0.59 H new ATOM 0 HG LEU A 55 -12.644 3.737 0.854 1.00 0.60 H new ATOM 0 HD11 LEU A 55 -12.909 3.689 3.325 1.00 0.58 H new ATOM 0 HD12 LEU A 55 -11.602 2.604 2.793 1.00 0.58 H new ATOM 0 HD13 LEU A 55 -11.210 4.184 3.513 1.00 0.58 H new ATOM 0 HD21 LEU A 55 -13.387 5.779 2.085 1.00 0.67 H new ATOM 0 HD22 LEU A 55 -11.690 6.290 2.247 1.00 0.67 H new ATOM 0 HD23 LEU A 55 -12.444 6.207 0.637 1.00 0.67 H new ATOM 913 N LEU A 56 -8.313 4.254 -1.333 1.00 0.62 N ATOM 914 CA LEU A 56 -7.161 4.877 -2.064 1.00 0.66 C ATOM 915 C LEU A 56 -7.561 5.067 -3.528 1.00 0.67 C ATOM 916 O LEU A 56 -7.485 6.148 -4.084 1.00 0.72 O ATOM 917 CB LEU A 56 -5.971 3.892 -1.972 1.00 0.65 C ATOM 918 CG LEU A 56 -4.765 4.347 -2.823 1.00 0.69 C ATOM 919 CD1 LEU A 56 -3.968 5.425 -2.076 1.00 0.72 C ATOM 920 CD2 LEU A 56 -3.859 3.134 -3.100 1.00 0.66 C ATOM 0 H LEU A 56 -8.064 3.453 -0.753 1.00 0.62 H new ATOM 0 HA LEU A 56 -6.890 5.842 -1.637 1.00 0.66 H new ATOM 0 HB2 LEU A 56 -5.662 3.795 -0.931 1.00 0.65 H new ATOM 0 HB3 LEU A 56 -6.294 2.904 -2.302 1.00 0.65 H new ATOM 0 HG LEU A 56 -5.124 4.764 -3.764 1.00 0.69 H new ATOM 0 HD11 LEU A 56 -3.120 5.738 -2.685 1.00 0.72 H new ATOM 0 HD12 LEU A 56 -4.611 6.283 -1.881 1.00 0.72 H new ATOM 0 HD13 LEU A 56 -3.606 5.020 -1.131 1.00 0.72 H new ATOM 0 HD21 LEU A 56 -3.005 3.447 -3.701 1.00 0.66 H new ATOM 0 HD22 LEU A 56 -3.506 2.720 -2.155 1.00 0.66 H new ATOM 0 HD23 LEU A 56 -4.423 2.374 -3.641 1.00 0.66 H new ATOM 932 N MET A 57 -7.964 4.003 -4.153 1.00 0.62 N ATOM 933 CA MET A 57 -8.351 4.064 -5.596 1.00 0.63 C ATOM 934 C MET A 57 -9.383 5.173 -5.855 1.00 0.68 C ATOM 935 O MET A 57 -9.214 6.006 -6.728 1.00 0.72 O ATOM 936 CB MET A 57 -8.953 2.718 -6.008 1.00 0.58 C ATOM 937 CG MET A 57 -7.886 1.621 -5.921 1.00 0.55 C ATOM 938 SD MET A 57 -6.841 1.677 -7.398 1.00 0.60 S ATOM 939 CE MET A 57 -7.820 0.539 -8.411 1.00 0.57 C ATOM 0 H MET A 57 -8.045 3.080 -3.726 1.00 0.62 H new ATOM 0 HA MET A 57 -7.458 4.284 -6.181 1.00 0.63 H new ATOM 0 HB2 MET A 57 -9.794 2.472 -5.359 1.00 0.58 H new ATOM 0 HB3 MET A 57 -9.342 2.779 -7.024 1.00 0.58 H new ATOM 0 HG2 MET A 57 -7.278 1.760 -5.027 1.00 0.55 H new ATOM 0 HG3 MET A 57 -8.360 0.643 -5.835 1.00 0.55 H new ATOM 0 HE1 MET A 57 -7.349 0.424 -9.387 1.00 0.57 H new ATOM 0 HE2 MET A 57 -7.875 -0.431 -7.918 1.00 0.57 H new ATOM 0 HE3 MET A 57 -8.826 0.939 -8.539 1.00 0.57 H new ATOM 949 N GLY A 58 -10.466 5.176 -5.137 1.00 0.67 N ATOM 950 CA GLY A 58 -11.508 6.210 -5.387 1.00 0.73 C ATOM 951 C GLY A 58 -10.952 7.610 -5.187 1.00 0.79 C ATOM 952 O GLY A 58 -11.101 8.471 -6.032 1.00 0.84 O ATOM 0 H GLY A 58 -10.677 4.513 -4.391 1.00 0.67 H new ATOM 0 HA2 GLY A 58 -11.888 6.109 -6.404 1.00 0.73 H new ATOM 0 HA3 GLY A 58 -12.351 6.051 -4.714 1.00 0.73 H new ATOM 956 N LEU A 59 -10.323 7.858 -4.087 1.00 0.79 N ATOM 957 CA LEU A 59 -9.774 9.215 -3.851 1.00 0.86 C ATOM 958 C LEU A 59 -8.900 9.585 -5.044 1.00 0.88 C ATOM 959 O LEU A 59 -8.741 10.744 -5.373 1.00 0.94 O ATOM 960 CB LEU A 59 -8.997 9.243 -2.523 1.00 0.86 C ATOM 961 CG LEU A 59 -9.912 8.669 -1.399 1.00 0.82 C ATOM 962 CD1 LEU A 59 -9.095 8.071 -0.234 1.00 0.82 C ATOM 963 CD2 LEU A 59 -10.837 9.782 -0.875 1.00 0.87 C ATOM 0 H LEU A 59 -10.163 7.184 -3.339 1.00 0.79 H new ATOM 0 HA LEU A 59 -10.572 9.952 -3.762 1.00 0.86 H new ATOM 0 HB2 LEU A 59 -8.084 8.653 -2.606 1.00 0.86 H new ATOM 0 HB3 LEU A 59 -8.696 10.263 -2.282 1.00 0.86 H new ATOM 0 HG LEU A 59 -10.504 7.861 -1.829 1.00 0.82 H new ATOM 0 HD11 LEU A 59 -9.774 7.683 0.525 1.00 0.82 H new ATOM 0 HD12 LEU A 59 -8.468 7.261 -0.607 1.00 0.82 H new ATOM 0 HD13 LEU A 59 -8.465 8.845 0.204 1.00 0.82 H new ATOM 0 HD21 LEU A 59 -11.478 9.383 -0.089 1.00 0.87 H new ATOM 0 HD22 LEU A 59 -10.235 10.597 -0.473 1.00 0.87 H new ATOM 0 HD23 LEU A 59 -11.455 10.156 -1.691 1.00 0.87 H new ATOM 975 N LEU A 60 -8.386 8.605 -5.743 1.00 0.84 N ATOM 976 CA LEU A 60 -7.593 8.928 -6.964 1.00 0.87 C ATOM 977 C LEU A 60 -8.552 9.602 -7.941 1.00 0.91 C ATOM 978 O LEU A 60 -8.364 10.730 -8.353 1.00 0.96 O ATOM 979 CB LEU A 60 -7.050 7.642 -7.606 1.00 0.82 C ATOM 980 CG LEU A 60 -5.878 7.963 -8.550 1.00 0.87 C ATOM 981 CD1 LEU A 60 -5.350 6.657 -9.172 1.00 0.83 C ATOM 982 CD2 LEU A 60 -6.342 8.912 -9.667 1.00 0.91 C ATOM 0 H LEU A 60 -8.479 7.613 -5.526 1.00 0.84 H new ATOM 0 HA LEU A 60 -6.748 9.569 -6.713 1.00 0.87 H new ATOM 0 HB2 LEU A 60 -6.720 6.952 -6.829 1.00 0.82 H new ATOM 0 HB3 LEU A 60 -7.844 7.142 -8.160 1.00 0.82 H new ATOM 0 HG LEU A 60 -5.084 8.447 -7.981 1.00 0.87 H new ATOM 0 HD11 LEU A 60 -4.520 6.882 -9.841 1.00 0.83 H new ATOM 0 HD12 LEU A 60 -5.008 5.990 -8.381 1.00 0.83 H new ATOM 0 HD13 LEU A 60 -6.148 6.173 -9.735 1.00 0.83 H new ATOM 0 HD21 LEU A 60 -5.504 9.132 -10.329 1.00 0.91 H new ATOM 0 HD22 LEU A 60 -7.141 8.439 -10.238 1.00 0.91 H new ATOM 0 HD23 LEU A 60 -6.710 9.839 -9.227 1.00 0.91 H new ATOM 994 N GLU A 61 -9.595 8.902 -8.300 1.00 0.87 N ATOM 995 CA GLU A 61 -10.596 9.475 -9.243 1.00 0.91 C ATOM 996 C GLU A 61 -11.033 10.850 -8.736 1.00 0.96 C ATOM 997 O GLU A 61 -11.056 11.819 -9.469 1.00 1.00 O ATOM 998 CB GLU A 61 -11.813 8.543 -9.313 1.00 0.86 C ATOM 999 CG GLU A 61 -12.595 8.805 -10.604 1.00 0.82 C ATOM 1000 CD GLU A 61 -13.802 7.867 -10.668 1.00 0.77 C ATOM 1001 OE1 GLU A 61 -13.603 6.696 -10.948 1.00 0.77 O ATOM 1002 OE2 GLU A 61 -14.904 8.335 -10.435 1.00 0.74 O ATOM 0 H GLU A 61 -9.796 7.955 -7.979 1.00 0.87 H new ATOM 0 HA GLU A 61 -10.156 9.575 -10.235 1.00 0.91 H new ATOM 0 HB2 GLU A 61 -11.488 7.503 -9.279 1.00 0.86 H new ATOM 0 HB3 GLU A 61 -12.456 8.705 -8.448 1.00 0.86 H new ATOM 0 HG2 GLU A 61 -12.925 9.843 -10.637 1.00 0.82 H new ATOM 0 HG3 GLU A 61 -11.952 8.647 -11.470 1.00 0.82 H new ATOM 1009 N GLY A 62 -11.386 10.935 -7.481 1.00 0.95 N ATOM 1010 CA GLY A 62 -11.833 12.239 -6.902 1.00 1.01 C ATOM 1011 C GLY A 62 -13.358 12.271 -6.851 1.00 1.00 C ATOM 1012 O GLY A 62 -14.002 13.032 -7.545 1.00 1.03 O ATOM 0 H GLY A 62 -11.384 10.153 -6.827 1.00 0.95 H new ATOM 0 HA2 GLY A 62 -11.421 12.366 -5.901 1.00 1.01 H new ATOM 0 HA3 GLY A 62 -11.460 13.066 -7.507 1.00 1.01 H new ATOM 1207 N PRO A 74 -14.393 -6.818 5.857 1.00 0.42 N ATOM 1208 CA PRO A 74 -13.711 -8.096 6.154 1.00 0.35 C ATOM 1209 C PRO A 74 -13.952 -8.472 7.619 1.00 0.35 C ATOM 1210 O PRO A 74 -14.000 -7.621 8.486 1.00 0.40 O ATOM 1211 CB PRO A 74 -12.218 -7.824 5.857 1.00 0.37 C ATOM 1212 CG PRO A 74 -12.135 -6.452 5.130 1.00 0.45 C ATOM 1213 CD PRO A 74 -13.517 -5.779 5.261 1.00 0.47 C ATOM 0 HA PRO A 74 -14.077 -8.934 5.560 1.00 0.35 H new ATOM 0 HB2 PRO A 74 -11.639 -7.805 6.781 1.00 0.37 H new ATOM 0 HB3 PRO A 74 -11.799 -8.615 5.235 1.00 0.37 H new ATOM 0 HG2 PRO A 74 -11.360 -5.828 5.575 1.00 0.45 H new ATOM 0 HG3 PRO A 74 -11.872 -6.588 4.081 1.00 0.45 H new ATOM 0 HD2 PRO A 74 -13.467 -4.894 5.895 1.00 0.47 H new ATOM 0 HD3 PRO A 74 -13.892 -5.455 4.290 1.00 0.47 H new ATOM 1221 N ASP A 75 -14.126 -9.743 7.894 1.00 0.34 N ATOM 1222 CA ASP A 75 -14.390 -10.198 9.296 1.00 0.38 C ATOM 1223 C ASP A 75 -13.323 -11.206 9.710 1.00 0.36 C ATOM 1224 O ASP A 75 -12.833 -11.183 10.822 1.00 0.36 O ATOM 1225 CB ASP A 75 -15.787 -10.859 9.342 1.00 0.46 C ATOM 1226 CG ASP A 75 -16.556 -10.412 10.594 1.00 0.82 C ATOM 1227 OD1 ASP A 75 -17.161 -9.354 10.547 1.00 1.34 O ATOM 1228 OD2 ASP A 75 -16.526 -11.137 11.575 1.00 0.82 O ATOM 0 H ASP A 75 -14.096 -10.491 7.201 1.00 0.34 H new ATOM 0 HA ASP A 75 -14.360 -9.351 9.982 1.00 0.38 H new ATOM 0 HB2 ASP A 75 -16.351 -10.593 8.448 1.00 0.46 H new ATOM 0 HB3 ASP A 75 -15.682 -11.944 9.341 1.00 0.46 H new ATOM 1233 N SER A 76 -12.968 -12.095 8.819 1.00 0.38 N ATOM 1234 CA SER A 76 -11.938 -13.122 9.136 1.00 0.41 C ATOM 1235 C SER A 76 -10.750 -12.947 8.203 1.00 0.39 C ATOM 1236 O SER A 76 -10.743 -12.107 7.327 1.00 0.37 O ATOM 1237 CB SER A 76 -12.541 -14.521 8.966 1.00 0.51 C ATOM 1238 OG SER A 76 -13.485 -14.503 7.910 1.00 0.54 O ATOM 0 H SER A 76 -13.353 -12.152 7.876 1.00 0.38 H new ATOM 0 HA SER A 76 -11.604 -13.004 10.167 1.00 0.41 H new ATOM 0 HB2 SER A 76 -11.754 -15.244 8.752 1.00 0.51 H new ATOM 0 HB3 SER A 76 -13.021 -14.837 9.892 1.00 0.51 H new ATOM 0 HG SER A 76 -13.740 -15.422 7.683 1.00 0.54 H new ATOM 1244 N PHE A 77 -9.746 -13.731 8.413 1.00 0.42 N ATOM 1245 CA PHE A 77 -8.514 -13.637 7.585 1.00 0.44 C ATOM 1246 C PHE A 77 -8.829 -13.819 6.126 1.00 0.48 C ATOM 1247 O PHE A 77 -8.559 -12.975 5.321 1.00 0.49 O ATOM 1248 CB PHE A 77 -7.546 -14.733 8.020 1.00 0.50 C ATOM 1249 CG PHE A 77 -6.298 -14.745 7.148 1.00 0.59 C ATOM 1250 CD1 PHE A 77 -5.559 -13.568 6.927 1.00 0.63 C ATOM 1251 CD2 PHE A 77 -5.865 -15.951 6.577 1.00 0.74 C ATOM 1252 CE1 PHE A 77 -4.397 -13.605 6.139 1.00 0.80 C ATOM 1253 CE2 PHE A 77 -4.709 -15.983 5.790 1.00 0.87 C ATOM 1254 CZ PHE A 77 -3.975 -14.812 5.572 1.00 0.90 C ATOM 0 H PHE A 77 -9.720 -14.450 9.136 1.00 0.42 H new ATOM 0 HA PHE A 77 -8.073 -12.650 7.725 1.00 0.44 H new ATOM 0 HB2 PHE A 77 -7.263 -14.580 9.061 1.00 0.50 H new ATOM 0 HB3 PHE A 77 -8.041 -15.702 7.964 1.00 0.50 H new ATOM 0 HD1 PHE A 77 -5.886 -12.636 7.364 1.00 0.63 H new ATOM 0 HD2 PHE A 77 -6.426 -16.858 6.746 1.00 0.74 H new ATOM 0 HE1 PHE A 77 -3.829 -12.702 5.971 1.00 0.80 H new ATOM 0 HE2 PHE A 77 -4.382 -16.914 5.350 1.00 0.87 H new ATOM 0 HZ PHE A 77 -3.082 -14.840 4.965 1.00 0.90 H new ATOM 1264 N GLU A 78 -9.386 -14.916 5.784 1.00 0.51 N ATOM 1265 CA GLU A 78 -9.706 -15.169 4.355 1.00 0.56 C ATOM 1266 C GLU A 78 -10.423 -13.956 3.760 1.00 0.53 C ATOM 1267 O GLU A 78 -10.186 -13.581 2.633 1.00 0.59 O ATOM 1268 CB GLU A 78 -10.598 -16.431 4.263 1.00 0.63 C ATOM 1269 CG GLU A 78 -9.959 -17.477 3.344 1.00 1.05 C ATOM 1270 CD GLU A 78 -10.872 -18.701 3.247 1.00 1.14 C ATOM 1271 OE1 GLU A 78 -11.221 -19.238 4.285 1.00 1.45 O ATOM 1272 OE2 GLU A 78 -11.207 -19.080 2.137 1.00 1.04 O ATOM 0 H GLU A 78 -9.642 -15.665 6.427 1.00 0.51 H new ATOM 0 HA GLU A 78 -8.790 -15.333 3.788 1.00 0.56 H new ATOM 0 HB2 GLU A 78 -10.744 -16.853 5.257 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -11.583 -16.160 3.884 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -9.795 -17.054 2.353 1.00 1.05 H new ATOM 0 HG3 GLU A 78 -8.983 -17.769 3.732 1.00 1.05 H new ATOM 1279 N GLN A 79 -11.296 -13.350 4.499 1.00 0.46 N ATOM 1280 CA GLN A 79 -12.029 -12.193 3.978 1.00 0.45 C ATOM 1281 C GLN A 79 -11.072 -11.040 3.688 1.00 0.40 C ATOM 1282 O GLN A 79 -11.209 -10.355 2.694 1.00 0.41 O ATOM 1283 CB GLN A 79 -13.048 -11.810 5.034 1.00 0.49 C ATOM 1284 CG GLN A 79 -13.909 -13.034 5.350 1.00 0.49 C ATOM 1285 CD GLN A 79 -14.950 -12.667 6.407 1.00 0.46 C ATOM 1286 OE1 GLN A 79 -15.212 -11.504 6.636 1.00 0.47 O ATOM 1287 NE2 GLN A 79 -15.564 -13.615 7.061 1.00 0.45 N ATOM 0 H GLN A 79 -11.532 -13.616 5.455 1.00 0.46 H new ATOM 0 HA GLN A 79 -12.526 -12.431 3.038 1.00 0.45 H new ATOM 0 HB2 GLN A 79 -12.545 -11.459 5.935 1.00 0.49 H new ATOM 0 HB3 GLN A 79 -13.672 -10.991 4.677 1.00 0.49 H new ATOM 0 HG2 GLN A 79 -14.403 -13.387 4.445 1.00 0.49 H new ATOM 0 HG3 GLN A 79 -13.282 -13.850 5.710 1.00 0.49 H new ATOM 0 HE21 GLN A 79 -15.344 -14.592 6.869 1.00 0.45 H new ATOM 0 HE22 GLN A 79 -16.264 -13.379 7.764 1.00 0.45 H new ATOM 1296 N LYS A 80 -10.095 -10.819 4.520 1.00 0.39 N ATOM 1297 CA LYS A 80 -9.145 -9.712 4.234 1.00 0.38 C ATOM 1298 C LYS A 80 -8.227 -10.160 3.090 1.00 0.39 C ATOM 1299 O LYS A 80 -7.988 -9.428 2.155 1.00 0.40 O ATOM 1300 CB LYS A 80 -8.323 -9.367 5.493 1.00 0.41 C ATOM 1301 CG LYS A 80 -9.140 -9.677 6.765 1.00 0.50 C ATOM 1302 CD LYS A 80 -8.745 -8.723 7.898 1.00 0.51 C ATOM 1303 CE LYS A 80 -9.290 -9.252 9.226 1.00 0.51 C ATOM 1304 NZ LYS A 80 -8.977 -8.281 10.312 1.00 1.03 N ATOM 0 H LYS A 80 -9.915 -11.348 5.373 1.00 0.39 H new ATOM 0 HA LYS A 80 -9.689 -8.813 3.944 1.00 0.38 H new ATOM 0 HB2 LYS A 80 -7.396 -9.940 5.499 1.00 0.41 H new ATOM 0 HB3 LYS A 80 -8.046 -8.313 5.478 1.00 0.41 H new ATOM 0 HG2 LYS A 80 -10.205 -9.580 6.554 1.00 0.50 H new ATOM 0 HG3 LYS A 80 -8.969 -10.708 7.073 1.00 0.50 H new ATOM 0 HD2 LYS A 80 -7.660 -8.632 7.949 1.00 0.51 H new ATOM 0 HD3 LYS A 80 -9.140 -7.726 7.702 1.00 0.51 H new ATOM 0 HE2 LYS A 80 -10.367 -9.401 9.156 1.00 0.51 H new ATOM 0 HE3 LYS A 80 -8.848 -10.222 9.452 1.00 0.51 H new ATOM 0 HZ1 LYS A 80 -9.347 -8.639 11.215 1.00 1.03 H new ATOM 0 HZ2 LYS A 80 -7.946 -8.160 10.383 1.00 1.03 H new ATOM 0 HZ3 LYS A 80 -9.419 -7.365 10.096 1.00 1.03 H new ATOM 1318 N VAL A 81 -7.726 -11.368 3.151 1.00 0.44 N ATOM 1319 CA VAL A 81 -6.846 -11.869 2.057 1.00 0.47 C ATOM 1320 C VAL A 81 -7.574 -11.687 0.731 1.00 0.45 C ATOM 1321 O VAL A 81 -6.967 -11.541 -0.309 1.00 0.46 O ATOM 1322 CB VAL A 81 -6.564 -13.359 2.274 1.00 0.54 C ATOM 1323 CG1 VAL A 81 -5.631 -13.879 1.175 1.00 0.60 C ATOM 1324 CG2 VAL A 81 -5.902 -13.561 3.640 1.00 0.56 C ATOM 0 H VAL A 81 -7.890 -12.027 3.912 1.00 0.44 H new ATOM 0 HA VAL A 81 -5.905 -11.319 2.051 1.00 0.47 H new ATOM 0 HB VAL A 81 -7.504 -13.909 2.238 1.00 0.54 H new ATOM 0 HG11 VAL A 81 -5.435 -14.939 1.336 1.00 0.60 H new ATOM 0 HG12 VAL A 81 -6.102 -13.741 0.202 1.00 0.60 H new ATOM 0 HG13 VAL A 81 -4.691 -13.328 1.205 1.00 0.60 H new ATOM 0 HG21 VAL A 81 -5.702 -14.621 3.794 1.00 0.56 H new ATOM 0 HG22 VAL A 81 -4.965 -13.006 3.676 1.00 0.56 H new ATOM 0 HG23 VAL A 81 -6.568 -13.200 4.424 1.00 0.56 H new ATOM 1334 N LEU A 82 -8.877 -11.703 0.763 1.00 0.44 N ATOM 1335 CA LEU A 82 -9.657 -11.541 -0.492 1.00 0.44 C ATOM 1336 C LEU A 82 -9.800 -10.065 -0.801 1.00 0.38 C ATOM 1337 O LEU A 82 -9.726 -9.652 -1.933 1.00 0.38 O ATOM 1338 CB LEU A 82 -11.042 -12.181 -0.319 1.00 0.47 C ATOM 1339 CG LEU A 82 -11.690 -12.428 -1.694 1.00 0.49 C ATOM 1340 CD1 LEU A 82 -11.106 -13.691 -2.353 1.00 0.53 C ATOM 1341 CD2 LEU A 82 -13.203 -12.609 -1.518 1.00 0.54 C ATOM 0 H LEU A 82 -9.436 -11.822 1.608 1.00 0.44 H new ATOM 0 HA LEU A 82 -9.140 -12.032 -1.317 1.00 0.44 H new ATOM 0 HB2 LEU A 82 -10.950 -13.123 0.222 1.00 0.47 H new ATOM 0 HB3 LEU A 82 -11.679 -11.530 0.280 1.00 0.47 H new ATOM 0 HG LEU A 82 -11.484 -11.570 -2.334 1.00 0.49 H new ATOM 0 HD11 LEU A 82 -11.578 -13.847 -3.323 1.00 0.53 H new ATOM 0 HD12 LEU A 82 -10.031 -13.567 -2.488 1.00 0.53 H new ATOM 0 HD13 LEU A 82 -11.295 -14.555 -1.715 1.00 0.53 H new ATOM 0 HD21 LEU A 82 -13.664 -12.784 -2.490 1.00 0.54 H new ATOM 0 HD22 LEU A 82 -13.394 -13.462 -0.867 1.00 0.54 H new ATOM 0 HD23 LEU A 82 -13.628 -11.710 -1.072 1.00 0.54 H new ATOM 1353 N ASN A 83 -9.995 -9.265 0.189 1.00 0.35 N ATOM 1354 CA ASN A 83 -10.121 -7.821 -0.064 1.00 0.32 C ATOM 1355 C ASN A 83 -8.821 -7.333 -0.721 1.00 0.31 C ATOM 1356 O ASN A 83 -8.821 -6.426 -1.533 1.00 0.30 O ATOM 1357 CB ASN A 83 -10.360 -7.108 1.284 1.00 0.31 C ATOM 1358 CG ASN A 83 -11.392 -5.994 1.114 1.00 0.33 C ATOM 1359 OD1 ASN A 83 -11.096 -4.830 1.300 1.00 0.35 O ATOM 1360 ND2 ASN A 83 -12.601 -6.318 0.764 1.00 0.36 N ATOM 0 H ASN A 83 -10.073 -9.548 1.166 1.00 0.35 H new ATOM 0 HA ASN A 83 -10.957 -7.604 -0.729 1.00 0.32 H new ATOM 0 HB2 ASN A 83 -10.707 -7.826 2.027 1.00 0.31 H new ATOM 0 HB3 ASN A 83 -9.423 -6.693 1.656 1.00 0.31 H new ATOM 0 HD21 ASN A 83 -13.309 -5.593 0.644 1.00 0.36 H new ATOM 0 HD22 ASN A 83 -12.842 -7.297 0.610 1.00 0.36 H new ATOM 1367 N VAL A 84 -7.709 -7.941 -0.385 1.00 0.34 N ATOM 1368 CA VAL A 84 -6.410 -7.508 -0.994 1.00 0.37 C ATOM 1369 C VAL A 84 -6.190 -8.221 -2.313 1.00 0.39 C ATOM 1370 O VAL A 84 -5.692 -7.649 -3.246 1.00 0.41 O ATOM 1371 CB VAL A 84 -5.228 -7.799 -0.061 1.00 0.41 C ATOM 1372 CG1 VAL A 84 -3.961 -7.169 -0.651 1.00 0.47 C ATOM 1373 CG2 VAL A 84 -5.507 -7.190 1.320 1.00 0.40 C ATOM 0 H VAL A 84 -7.643 -8.712 0.279 1.00 0.34 H new ATOM 0 HA VAL A 84 -6.466 -6.432 -1.158 1.00 0.37 H new ATOM 0 HB VAL A 84 -5.092 -8.876 0.040 1.00 0.41 H new ATOM 0 HG11 VAL A 84 -3.115 -7.371 0.006 1.00 0.47 H new ATOM 0 HG12 VAL A 84 -3.767 -7.596 -1.635 1.00 0.47 H new ATOM 0 HG13 VAL A 84 -4.100 -6.092 -0.744 1.00 0.47 H new ATOM 0 HG21 VAL A 84 -4.668 -7.396 1.985 1.00 0.40 H new ATOM 0 HG22 VAL A 84 -5.637 -6.112 1.223 1.00 0.40 H new ATOM 0 HG23 VAL A 84 -6.414 -7.629 1.735 1.00 0.40 H new ATOM 1383 N SER A 85 -6.553 -9.459 -2.408 1.00 0.41 N ATOM 1384 CA SER A 85 -6.355 -10.172 -3.696 1.00 0.46 C ATOM 1385 C SER A 85 -7.207 -9.474 -4.753 1.00 0.42 C ATOM 1386 O SER A 85 -6.929 -9.502 -5.936 1.00 0.45 O ATOM 1387 CB SER A 85 -6.804 -11.627 -3.553 1.00 0.50 C ATOM 1388 OG SER A 85 -6.144 -12.216 -2.440 1.00 0.53 O ATOM 0 H SER A 85 -6.975 -10.008 -1.659 1.00 0.41 H new ATOM 0 HA SER A 85 -5.303 -10.157 -3.982 1.00 0.46 H new ATOM 0 HB2 SER A 85 -7.884 -11.674 -3.416 1.00 0.50 H new ATOM 0 HB3 SER A 85 -6.573 -12.182 -4.462 1.00 0.50 H new ATOM 0 HG SER A 85 -6.742 -12.207 -1.663 1.00 0.53 H new ATOM 1394 N PHE A 86 -8.249 -8.845 -4.313 1.00 0.38 N ATOM 1395 CA PHE A 86 -9.164 -8.143 -5.240 1.00 0.36 C ATOM 1396 C PHE A 86 -8.535 -6.827 -5.675 1.00 0.34 C ATOM 1397 O PHE A 86 -8.358 -6.554 -6.839 1.00 0.35 O ATOM 1398 CB PHE A 86 -10.472 -7.874 -4.498 1.00 0.35 C ATOM 1399 CG PHE A 86 -11.339 -6.879 -5.242 1.00 0.32 C ATOM 1400 CD1 PHE A 86 -11.360 -6.849 -6.643 1.00 0.31 C ATOM 1401 CD2 PHE A 86 -12.143 -5.996 -4.514 1.00 0.32 C ATOM 1402 CE1 PHE A 86 -12.186 -5.937 -7.311 1.00 0.31 C ATOM 1403 CE2 PHE A 86 -12.965 -5.082 -5.181 1.00 0.32 C ATOM 1404 CZ PHE A 86 -12.988 -5.053 -6.579 1.00 0.32 C ATOM 0 H PHE A 86 -8.511 -8.786 -3.329 1.00 0.38 H new ATOM 0 HA PHE A 86 -9.352 -8.750 -6.126 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -11.018 -8.809 -4.370 1.00 0.35 H new ATOM 0 HB3 PHE A 86 -10.254 -7.493 -3.500 1.00 0.35 H new ATOM 0 HD1 PHE A 86 -10.739 -7.529 -7.207 1.00 0.31 H new ATOM 0 HD2 PHE A 86 -12.129 -6.020 -3.434 1.00 0.32 H new ATOM 0 HE1 PHE A 86 -12.205 -5.915 -8.391 1.00 0.31 H new ATOM 0 HE2 PHE A 86 -13.582 -4.399 -4.616 1.00 0.32 H new ATOM 0 HZ PHE A 86 -13.624 -4.349 -7.094 1.00 0.32 H new ATOM 1414 N ALA A 87 -8.180 -6.008 -4.744 1.00 0.32 N ATOM 1415 CA ALA A 87 -7.542 -4.721 -5.119 1.00 0.33 C ATOM 1416 C ALA A 87 -6.325 -5.055 -5.972 1.00 0.38 C ATOM 1417 O ALA A 87 -5.951 -4.333 -6.872 1.00 0.39 O ATOM 1418 CB ALA A 87 -7.094 -3.988 -3.860 1.00 0.35 C ATOM 0 H ALA A 87 -8.300 -6.166 -3.743 1.00 0.32 H new ATOM 0 HA ALA A 87 -8.239 -4.085 -5.664 1.00 0.33 H new ATOM 0 HB1 ALA A 87 -6.626 -3.043 -4.136 1.00 0.35 H new ATOM 0 HB2 ALA A 87 -7.959 -3.793 -3.226 1.00 0.35 H new ATOM 0 HB3 ALA A 87 -6.377 -4.603 -3.317 1.00 0.35 H new ATOM 1424 N PHE A 88 -5.730 -6.178 -5.694 1.00 0.41 N ATOM 1425 CA PHE A 88 -4.554 -6.629 -6.454 1.00 0.48 C ATOM 1426 C PHE A 88 -5.034 -7.091 -7.812 1.00 0.48 C ATOM 1427 O PHE A 88 -4.279 -7.175 -8.749 1.00 0.53 O ATOM 1428 CB PHE A 88 -3.906 -7.797 -5.712 1.00 0.52 C ATOM 1429 CG PHE A 88 -2.890 -8.484 -6.595 1.00 0.59 C ATOM 1430 CD1 PHE A 88 -3.324 -9.361 -7.594 1.00 0.61 C ATOM 1431 CD2 PHE A 88 -1.522 -8.249 -6.415 1.00 0.66 C ATOM 1432 CE1 PHE A 88 -2.394 -10.005 -8.415 1.00 0.69 C ATOM 1433 CE2 PHE A 88 -0.590 -8.893 -7.237 1.00 0.73 C ATOM 1434 CZ PHE A 88 -1.027 -9.771 -8.238 1.00 0.74 C ATOM 0 H PHE A 88 -6.024 -6.812 -4.951 1.00 0.41 H new ATOM 0 HA PHE A 88 -3.825 -5.826 -6.564 1.00 0.48 H new ATOM 0 HB2 PHE A 88 -3.423 -7.436 -4.804 1.00 0.52 H new ATOM 0 HB3 PHE A 88 -4.671 -8.510 -5.404 1.00 0.52 H new ATOM 0 HD1 PHE A 88 -4.380 -9.541 -7.731 1.00 0.61 H new ATOM 0 HD2 PHE A 88 -1.186 -7.572 -5.643 1.00 0.66 H new ATOM 0 HE1 PHE A 88 -2.731 -10.683 -9.185 1.00 0.69 H new ATOM 0 HE2 PHE A 88 0.466 -8.713 -7.100 1.00 0.73 H new ATOM 0 HZ PHE A 88 -0.308 -10.267 -8.873 1.00 0.74 H new ATOM 1444 N GLU A 89 -6.284 -7.432 -7.918 1.00 0.44 N ATOM 1445 CA GLU A 89 -6.797 -7.913 -9.229 1.00 0.46 C ATOM 1446 C GLU A 89 -7.061 -6.701 -10.126 1.00 0.43 C ATOM 1447 O GLU A 89 -6.656 -6.665 -11.276 1.00 0.47 O ATOM 1448 CB GLU A 89 -8.081 -8.733 -8.994 1.00 0.46 C ATOM 1449 CG GLU A 89 -7.717 -10.206 -8.775 1.00 0.51 C ATOM 1450 CD GLU A 89 -7.456 -10.882 -10.124 1.00 0.58 C ATOM 1451 OE1 GLU A 89 -8.393 -11.005 -10.895 1.00 0.60 O ATOM 1452 OE2 GLU A 89 -6.322 -11.265 -10.362 1.00 0.63 O ATOM 0 H GLU A 89 -6.968 -7.400 -7.162 1.00 0.44 H new ATOM 0 HA GLU A 89 -6.068 -8.556 -9.723 1.00 0.46 H new ATOM 0 HB2 GLU A 89 -8.617 -8.348 -8.127 1.00 0.46 H new ATOM 0 HB3 GLU A 89 -8.748 -8.636 -9.850 1.00 0.46 H new ATOM 0 HG2 GLU A 89 -6.832 -10.281 -8.143 1.00 0.51 H new ATOM 0 HG3 GLU A 89 -8.526 -10.716 -8.253 1.00 0.51 H new ATOM 1459 N LEU A 90 -7.696 -5.689 -9.606 1.00 0.38 N ATOM 1460 CA LEU A 90 -7.941 -4.479 -10.430 1.00 0.37 C ATOM 1461 C LEU A 90 -6.612 -3.770 -10.639 1.00 0.41 C ATOM 1462 O LEU A 90 -6.464 -2.953 -11.524 1.00 0.42 O ATOM 1463 CB LEU A 90 -8.910 -3.533 -9.714 1.00 0.34 C ATOM 1464 CG LEU A 90 -10.238 -4.244 -9.427 1.00 0.33 C ATOM 1465 CD1 LEU A 90 -11.185 -3.271 -8.707 1.00 0.33 C ATOM 1466 CD2 LEU A 90 -10.880 -4.714 -10.745 1.00 0.36 C ATOM 0 H LEU A 90 -8.053 -5.649 -8.651 1.00 0.38 H new ATOM 0 HA LEU A 90 -8.379 -4.769 -11.385 1.00 0.37 H new ATOM 0 HB2 LEU A 90 -8.467 -3.186 -8.780 1.00 0.34 H new ATOM 0 HB3 LEU A 90 -9.088 -2.651 -10.329 1.00 0.34 H new ATOM 0 HG LEU A 90 -10.054 -5.113 -8.796 1.00 0.33 H new ATOM 0 HD11 LEU A 90 -12.131 -3.771 -8.500 1.00 0.33 H new ATOM 0 HD12 LEU A 90 -10.732 -2.949 -7.769 1.00 0.33 H new ATOM 0 HD13 LEU A 90 -11.364 -2.402 -9.340 1.00 0.33 H new ATOM 0 HD21 LEU A 90 -11.823 -5.218 -10.531 1.00 0.36 H new ATOM 0 HD22 LEU A 90 -11.066 -3.853 -11.386 1.00 0.36 H new ATOM 0 HD23 LEU A 90 -10.206 -5.405 -11.252 1.00 0.36 H new ATOM 1478 N MET A 91 -5.630 -4.086 -9.836 1.00 0.43 N ATOM 1479 CA MET A 91 -4.302 -3.425 -10.009 1.00 0.49 C ATOM 1480 C MET A 91 -3.521 -4.199 -11.058 1.00 0.54 C ATOM 1481 O MET A 91 -2.984 -3.636 -11.992 1.00 0.58 O ATOM 1482 CB MET A 91 -3.538 -3.421 -8.687 1.00 0.52 C ATOM 1483 CG MET A 91 -4.146 -2.384 -7.731 1.00 0.48 C ATOM 1484 SD MET A 91 -3.440 -0.755 -8.086 1.00 0.55 S ATOM 1485 CE MET A 91 -4.140 0.109 -6.658 1.00 0.60 C ATOM 0 H MET A 91 -5.688 -4.765 -9.077 1.00 0.43 H new ATOM 0 HA MET A 91 -4.438 -2.391 -10.326 1.00 0.49 H new ATOM 0 HB2 MET A 91 -3.575 -4.411 -8.233 1.00 0.52 H new ATOM 0 HB3 MET A 91 -2.488 -3.191 -8.865 1.00 0.52 H new ATOM 0 HG2 MET A 91 -5.229 -2.357 -7.847 1.00 0.48 H new ATOM 0 HG3 MET A 91 -3.944 -2.663 -6.697 1.00 0.48 H new ATOM 0 HE1 MET A 91 -4.156 1.181 -6.853 1.00 0.60 H new ATOM 0 HE2 MET A 91 -5.157 -0.243 -6.482 1.00 0.60 H new ATOM 0 HE3 MET A 91 -3.530 -0.090 -5.777 1.00 0.60 H new ATOM 1495 N GLN A 92 -3.484 -5.495 -10.932 1.00 0.56 N ATOM 1496 CA GLN A 92 -2.773 -6.318 -11.942 1.00 0.62 C ATOM 1497 C GLN A 92 -3.294 -5.901 -13.310 1.00 0.61 C ATOM 1498 O GLN A 92 -2.589 -5.935 -14.299 1.00 0.69 O ATOM 1499 CB GLN A 92 -3.066 -7.804 -11.695 1.00 0.64 C ATOM 1500 CG GLN A 92 -2.575 -8.650 -12.884 1.00 0.66 C ATOM 1501 CD GLN A 92 -3.630 -8.656 -13.996 1.00 0.68 C ATOM 1502 OE1 GLN A 92 -4.814 -8.608 -13.726 1.00 0.72 O ATOM 1503 NE2 GLN A 92 -3.247 -8.712 -15.242 1.00 0.67 N ATOM 0 H GLN A 92 -3.917 -6.019 -10.171 1.00 0.56 H new ATOM 0 HA GLN A 92 -1.695 -6.169 -11.881 1.00 0.62 H new ATOM 0 HB2 GLN A 92 -2.574 -8.131 -10.779 1.00 0.64 H new ATOM 0 HB3 GLN A 92 -4.136 -7.952 -11.552 1.00 0.64 H new ATOM 0 HG2 GLN A 92 -1.636 -8.247 -13.264 1.00 0.66 H new ATOM 0 HG3 GLN A 92 -2.374 -9.670 -12.557 1.00 0.66 H new ATOM 0 HE21 GLN A 92 -2.253 -8.752 -15.469 1.00 0.67 H new ATOM 0 HE22 GLN A 92 -3.941 -8.715 -15.989 1.00 0.67 H new ATOM 1512 N ASP A 93 -4.532 -5.478 -13.362 1.00 0.54 N ATOM 1513 CA ASP A 93 -5.107 -5.023 -14.655 1.00 0.54 C ATOM 1514 C ASP A 93 -4.715 -3.564 -14.852 1.00 0.55 C ATOM 1515 O ASP A 93 -4.126 -3.187 -15.845 1.00 0.62 O ATOM 1516 CB ASP A 93 -6.641 -5.159 -14.602 1.00 0.50 C ATOM 1517 CG ASP A 93 -7.193 -5.512 -15.988 1.00 0.61 C ATOM 1518 OD1 ASP A 93 -7.185 -6.684 -16.327 1.00 0.75 O ATOM 1519 OD2 ASP A 93 -7.614 -4.603 -16.686 1.00 0.80 O ATOM 0 H ASP A 93 -5.165 -5.430 -12.564 1.00 0.54 H new ATOM 0 HA ASP A 93 -4.732 -5.625 -15.483 1.00 0.54 H new ATOM 0 HB2 ASP A 93 -6.920 -5.931 -13.885 1.00 0.50 H new ATOM 0 HB3 ASP A 93 -7.084 -4.226 -14.254 1.00 0.50 H new ATOM 1524 N GLY A 94 -5.034 -2.749 -13.895 1.00 0.54 N ATOM 1525 CA GLY A 94 -4.679 -1.311 -13.994 1.00 0.61 C ATOM 1526 C GLY A 94 -3.157 -1.170 -14.079 1.00 0.73 C ATOM 1527 O GLY A 94 -2.636 -0.075 -14.156 1.00 0.82 O ATOM 0 H GLY A 94 -5.528 -3.016 -13.043 1.00 0.54 H new ATOM 0 HA2 GLY A 94 -5.146 -0.869 -14.874 1.00 0.61 H new ATOM 0 HA3 GLY A 94 -5.058 -0.771 -13.127 1.00 0.61 H new ATOM 1531 N GLY A 95 -2.435 -2.273 -14.076 1.00 0.80 N ATOM 1532 CA GLY A 95 -0.935 -2.201 -14.168 1.00 0.94 C ATOM 1533 C GLY A 95 -0.286 -3.077 -13.088 1.00 0.92 C ATOM 1534 O GLY A 95 -0.558 -4.257 -12.983 1.00 0.91 O ATOM 0 H GLY A 95 -2.819 -3.216 -14.014 1.00 0.80 H new ATOM 0 HA2 GLY A 95 -0.609 -2.530 -15.155 1.00 0.94 H new ATOM 0 HA3 GLY A 95 -0.607 -1.168 -14.052 1.00 0.94 H new ATOM 1538 N LEU A 96 0.585 -2.504 -12.292 1.00 0.92 N ATOM 1539 CA LEU A 96 1.272 -3.288 -11.224 1.00 0.91 C ATOM 1540 C LEU A 96 2.132 -4.380 -11.864 1.00 0.94 C ATOM 1541 O LEU A 96 3.340 -4.274 -11.944 1.00 0.95 O ATOM 1542 CB LEU A 96 0.219 -3.909 -10.291 1.00 0.89 C ATOM 1543 CG LEU A 96 0.840 -4.226 -8.912 1.00 0.87 C ATOM 1544 CD1 LEU A 96 0.783 -2.987 -8.009 1.00 0.93 C ATOM 1545 CD2 LEU A 96 0.060 -5.366 -8.243 1.00 0.86 C ATOM 0 H LEU A 96 0.849 -1.520 -12.339 1.00 0.92 H new ATOM 0 HA LEU A 96 1.918 -2.632 -10.640 1.00 0.91 H new ATOM 0 HB2 LEU A 96 -0.619 -3.223 -10.170 1.00 0.89 H new ATOM 0 HB3 LEU A 96 -0.178 -4.821 -10.736 1.00 0.89 H new ATOM 0 HG LEU A 96 1.879 -4.522 -9.057 1.00 0.87 H new ATOM 0 HD11 LEU A 96 1.223 -3.222 -7.040 1.00 0.93 H new ATOM 0 HD12 LEU A 96 1.340 -2.173 -8.473 1.00 0.93 H new ATOM 0 HD13 LEU A 96 -0.255 -2.684 -7.872 1.00 0.93 H new ATOM 0 HD21 LEU A 96 0.501 -5.587 -7.271 1.00 0.86 H new ATOM 0 HD22 LEU A 96 -0.980 -5.067 -8.111 1.00 0.86 H new ATOM 0 HD23 LEU A 96 0.104 -6.255 -8.872 1.00 0.86 H new ATOM 1557 N GLU A 97 1.511 -5.414 -12.327 1.00 0.96 N ATOM 1558 CA GLU A 97 2.259 -6.527 -12.983 1.00 1.00 C ATOM 1559 C GLU A 97 3.471 -6.944 -12.137 1.00 0.99 C ATOM 1560 O GLU A 97 3.677 -6.475 -11.036 1.00 0.99 O ATOM 1561 CB GLU A 97 2.740 -6.069 -14.361 1.00 1.05 C ATOM 1562 CG GLU A 97 1.563 -5.494 -15.150 1.00 1.13 C ATOM 1563 CD GLU A 97 2.050 -5.017 -16.520 1.00 1.25 C ATOM 1564 OE1 GLU A 97 2.828 -5.732 -17.130 1.00 1.27 O ATOM 1565 OE2 GLU A 97 1.639 -3.947 -16.934 1.00 1.37 O ATOM 0 H GLU A 97 0.501 -5.546 -12.283 1.00 0.96 H new ATOM 0 HA GLU A 97 1.592 -7.383 -13.082 1.00 1.00 H new ATOM 0 HB2 GLU A 97 3.521 -5.316 -14.253 1.00 1.05 H new ATOM 0 HB3 GLU A 97 3.178 -6.908 -14.902 1.00 1.05 H new ATOM 0 HG2 GLU A 97 0.788 -6.251 -15.271 1.00 1.13 H new ATOM 0 HG3 GLU A 97 1.115 -4.665 -14.603 1.00 1.13 H new ATOM 1572 N LYS A 98 4.269 -7.834 -12.669 1.00 1.02 N ATOM 1573 CA LYS A 98 5.484 -8.327 -11.950 1.00 1.01 C ATOM 1574 C LYS A 98 5.225 -8.507 -10.443 1.00 1.00 C ATOM 1575 O LYS A 98 5.823 -7.820 -9.638 1.00 1.04 O ATOM 1576 CB LYS A 98 6.625 -7.327 -12.150 1.00 1.08 C ATOM 1577 CG LYS A 98 6.654 -6.872 -13.612 1.00 1.09 C ATOM 1578 CD LYS A 98 7.994 -6.196 -13.914 1.00 1.13 C ATOM 1579 CE LYS A 98 8.211 -5.028 -12.948 1.00 1.16 C ATOM 1580 NZ LYS A 98 9.284 -4.140 -13.479 1.00 1.18 N ATOM 0 H LYS A 98 4.127 -8.248 -13.590 1.00 1.02 H new ATOM 0 HA LYS A 98 5.748 -9.301 -12.363 1.00 1.01 H new ATOM 0 HB2 LYS A 98 6.489 -6.468 -11.493 1.00 1.08 H new ATOM 0 HB3 LYS A 98 7.577 -7.786 -11.882 1.00 1.08 H new ATOM 0 HG2 LYS A 98 6.510 -7.727 -14.272 1.00 1.09 H new ATOM 0 HG3 LYS A 98 5.835 -6.179 -13.804 1.00 1.09 H new ATOM 0 HD2 LYS A 98 8.806 -6.917 -13.817 1.00 1.13 H new ATOM 0 HD3 LYS A 98 8.008 -5.837 -14.943 1.00 1.13 H new ATOM 0 HE2 LYS A 98 7.285 -4.466 -12.826 1.00 1.16 H new ATOM 0 HE3 LYS A 98 8.488 -5.403 -11.963 1.00 1.16 H new ATOM 0 HZ1 LYS A 98 9.433 -3.346 -12.824 1.00 1.18 H new ATOM 0 HZ2 LYS A 98 10.167 -4.681 -13.574 1.00 1.18 H new ATOM 0 HZ3 LYS A 98 9.002 -3.773 -14.410 1.00 1.18 H new ATOM 1594 N PRO A 99 4.363 -9.440 -10.094 1.00 0.93 N ATOM 1595 CA PRO A 99 4.053 -9.726 -8.679 1.00 0.91 C ATOM 1596 C PRO A 99 5.200 -10.519 -8.039 1.00 0.98 C ATOM 1597 O PRO A 99 6.035 -11.083 -8.717 1.00 1.02 O ATOM 1598 CB PRO A 99 2.776 -10.590 -8.723 1.00 0.84 C ATOM 1599 CG PRO A 99 2.547 -10.998 -10.210 1.00 0.82 C ATOM 1600 CD PRO A 99 3.613 -10.269 -11.062 1.00 0.88 C ATOM 0 HA PRO A 99 3.920 -8.817 -8.093 1.00 0.91 H new ATOM 0 HB2 PRO A 99 2.887 -11.473 -8.094 1.00 0.84 H new ATOM 0 HB3 PRO A 99 1.921 -10.033 -8.341 1.00 0.84 H new ATOM 0 HG2 PRO A 99 2.634 -12.078 -10.329 1.00 0.82 H new ATOM 0 HG3 PRO A 99 1.543 -10.722 -10.533 1.00 0.82 H new ATOM 0 HD2 PRO A 99 4.268 -10.978 -11.568 1.00 0.88 H new ATOM 0 HD3 PRO A 99 3.150 -9.655 -11.835 1.00 0.88 H new ATOM 1608 N LYS A 100 5.222 -10.588 -6.734 1.00 0.98 N ATOM 1609 CA LYS A 100 6.285 -11.369 -6.042 1.00 1.05 C ATOM 1610 C LYS A 100 5.750 -11.951 -4.706 1.00 1.02 C ATOM 1611 O LYS A 100 5.911 -13.133 -4.477 1.00 1.04 O ATOM 1612 CB LYS A 100 7.541 -10.482 -5.822 1.00 1.11 C ATOM 1613 CG LYS A 100 8.783 -11.129 -6.478 1.00 1.18 C ATOM 1614 CD LYS A 100 10.073 -10.535 -5.903 1.00 1.25 C ATOM 1615 CE LYS A 100 10.104 -9.015 -6.109 1.00 1.22 C ATOM 1616 NZ LYS A 100 11.514 -8.573 -6.299 1.00 1.30 N ATOM 0 H LYS A 100 4.547 -10.135 -6.117 1.00 0.98 H new ATOM 0 HA LYS A 100 6.577 -12.211 -6.670 1.00 1.05 H new ATOM 0 HB2 LYS A 100 7.373 -9.492 -6.246 1.00 1.11 H new ATOM 0 HB3 LYS A 100 7.715 -10.347 -4.755 1.00 1.11 H new ATOM 0 HG2 LYS A 100 8.768 -12.206 -6.312 1.00 1.18 H new ATOM 0 HG3 LYS A 100 8.754 -10.972 -7.556 1.00 1.18 H new ATOM 0 HD2 LYS A 100 10.144 -10.765 -4.840 1.00 1.25 H new ATOM 0 HD3 LYS A 100 10.937 -10.991 -6.386 1.00 1.25 H new ATOM 0 HE2 LYS A 100 9.505 -8.742 -6.978 1.00 1.22 H new ATOM 0 HE3 LYS A 100 9.665 -8.511 -5.248 1.00 1.22 H new ATOM 0 HZ1 LYS A 100 11.691 -7.723 -5.727 1.00 1.30 H new ATOM 0 HZ2 LYS A 100 12.159 -9.332 -6.001 1.00 1.30 H new ATOM 0 HZ3 LYS A 100 11.677 -8.355 -7.303 1.00 1.30 H new ATOM 1630 N PRO A 101 5.129 -11.146 -3.851 1.00 0.97 N ATOM 1631 CA PRO A 101 4.603 -11.657 -2.572 1.00 0.95 C ATOM 1632 C PRO A 101 3.186 -12.202 -2.823 1.00 0.89 C ATOM 1633 O PRO A 101 2.854 -12.543 -3.940 1.00 0.89 O ATOM 1634 CB PRO A 101 4.608 -10.414 -1.674 1.00 0.92 C ATOM 1635 CG PRO A 101 4.550 -9.189 -2.608 1.00 0.92 C ATOM 1636 CD PRO A 101 4.895 -9.692 -4.036 1.00 0.95 C ATOM 0 HA PRO A 101 5.171 -12.471 -2.121 1.00 0.95 H new ATOM 0 HB2 PRO A 101 3.755 -10.424 -0.996 1.00 0.92 H new ATOM 0 HB3 PRO A 101 5.506 -10.387 -1.056 1.00 0.92 H new ATOM 0 HG2 PRO A 101 3.559 -8.735 -2.588 1.00 0.92 H new ATOM 0 HG3 PRO A 101 5.258 -8.425 -2.287 1.00 0.92 H new ATOM 0 HD2 PRO A 101 4.080 -9.504 -4.735 1.00 0.95 H new ATOM 0 HD3 PRO A 101 5.778 -9.192 -4.434 1.00 0.95 H new ATOM 1644 N ARG A 102 2.351 -12.305 -1.814 1.00 0.84 N ATOM 1645 CA ARG A 102 0.967 -12.850 -2.031 1.00 0.79 C ATOM 1646 C ARG A 102 -0.054 -12.039 -1.197 1.00 0.71 C ATOM 1647 O ARG A 102 0.291 -11.573 -0.133 1.00 0.71 O ATOM 1648 CB ARG A 102 0.957 -14.312 -1.580 1.00 0.83 C ATOM 1649 CG ARG A 102 2.261 -14.964 -2.027 1.00 0.92 C ATOM 1650 CD ARG A 102 2.175 -16.479 -1.838 1.00 0.96 C ATOM 1651 NE ARG A 102 1.347 -17.071 -2.925 1.00 1.05 N ATOM 1652 CZ ARG A 102 1.392 -18.355 -3.152 1.00 1.11 C ATOM 1653 NH1 ARG A 102 2.165 -19.118 -2.428 1.00 1.09 N ATOM 1654 NH2 ARG A 102 0.665 -18.876 -4.103 1.00 1.18 N ATOM 0 H ARG A 102 2.565 -12.037 -0.853 1.00 0.84 H new ATOM 0 HA ARG A 102 0.693 -12.776 -3.083 1.00 0.79 H new ATOM 0 HB2 ARG A 102 0.854 -14.374 -0.497 1.00 0.83 H new ATOM 0 HB3 ARG A 102 0.104 -14.836 -2.011 1.00 0.83 H new ATOM 0 HG2 ARG A 102 2.455 -14.729 -3.074 1.00 0.92 H new ATOM 0 HG3 ARG A 102 3.095 -14.563 -1.450 1.00 0.92 H new ATOM 0 HD2 ARG A 102 3.174 -16.915 -1.850 1.00 0.96 H new ATOM 0 HD3 ARG A 102 1.738 -16.710 -0.867 1.00 0.96 H new ATOM 0 HE ARG A 102 0.745 -16.473 -3.492 1.00 1.05 H new ATOM 0 HH11 ARG A 102 2.733 -18.710 -1.685 1.00 1.09 H new ATOM 0 HH12 ARG A 102 2.201 -20.122 -2.605 1.00 1.09 H new ATOM 0 HH21 ARG A 102 0.062 -18.279 -4.669 1.00 1.18 H new ATOM 0 HH22 ARG A 102 0.700 -19.880 -4.280 1.00 1.18 H new ATOM 1668 N PRO A 103 -1.286 -11.906 -1.684 1.00 0.66 N ATOM 1669 CA PRO A 103 -2.347 -11.160 -0.964 1.00 0.59 C ATOM 1670 C PRO A 103 -2.268 -11.436 0.536 1.00 0.59 C ATOM 1671 O PRO A 103 -2.612 -10.604 1.352 1.00 0.55 O ATOM 1672 CB PRO A 103 -3.654 -11.681 -1.583 1.00 0.57 C ATOM 1673 CG PRO A 103 -3.272 -12.301 -2.954 1.00 0.61 C ATOM 1674 CD PRO A 103 -1.737 -12.491 -2.960 1.00 0.67 C ATOM 0 HA PRO A 103 -2.259 -10.078 -1.064 1.00 0.59 H new ATOM 0 HB2 PRO A 103 -4.121 -12.425 -0.937 1.00 0.57 H new ATOM 0 HB3 PRO A 103 -4.374 -10.872 -1.709 1.00 0.57 H new ATOM 0 HG2 PRO A 103 -3.778 -13.255 -3.099 1.00 0.61 H new ATOM 0 HG3 PRO A 103 -3.582 -11.649 -3.771 1.00 0.61 H new ATOM 0 HD2 PRO A 103 -1.468 -13.545 -3.030 1.00 0.67 H new ATOM 0 HD3 PRO A 103 -1.278 -11.988 -3.811 1.00 0.67 H new ATOM 1682 N GLU A 104 -1.796 -12.589 0.904 1.00 0.64 N ATOM 1683 CA GLU A 104 -1.667 -12.910 2.344 1.00 0.65 C ATOM 1684 C GLU A 104 -0.474 -12.144 2.889 1.00 0.67 C ATOM 1685 O GLU A 104 -0.588 -11.356 3.802 1.00 0.65 O ATOM 1686 CB GLU A 104 -1.420 -14.411 2.512 1.00 0.71 C ATOM 1687 CG GLU A 104 -2.645 -15.188 2.035 1.00 0.71 C ATOM 1688 CD GLU A 104 -2.399 -16.687 2.211 1.00 0.78 C ATOM 1689 OE1 GLU A 104 -2.420 -17.143 3.342 1.00 0.81 O ATOM 1690 OE2 GLU A 104 -2.193 -17.355 1.210 1.00 0.82 O ATOM 0 H GLU A 104 -1.493 -13.325 0.266 1.00 0.64 H new ATOM 0 HA GLU A 104 -2.577 -12.635 2.877 1.00 0.65 H new ATOM 0 HB2 GLU A 104 -0.541 -14.711 1.941 1.00 0.71 H new ATOM 0 HB3 GLU A 104 -1.215 -14.641 3.557 1.00 0.71 H new ATOM 0 HG2 GLU A 104 -3.525 -14.884 2.602 1.00 0.71 H new ATOM 0 HG3 GLU A 104 -2.847 -14.962 0.988 1.00 0.71 H new ATOM 1697 N ASP A 105 0.665 -12.370 2.300 1.00 0.73 N ATOM 1698 CA ASP A 105 1.916 -11.689 2.723 1.00 0.78 C ATOM 1699 C ASP A 105 1.627 -10.216 3.020 1.00 0.73 C ATOM 1700 O ASP A 105 2.318 -9.577 3.789 1.00 0.77 O ATOM 1701 CB ASP A 105 2.922 -11.800 1.572 1.00 0.83 C ATOM 1702 CG ASP A 105 3.036 -13.260 1.122 1.00 0.88 C ATOM 1703 OD1 ASP A 105 2.155 -14.037 1.448 1.00 0.94 O ATOM 1704 OD2 ASP A 105 4.012 -13.577 0.462 1.00 0.86 O ATOM 0 H ASP A 105 0.783 -13.017 1.521 1.00 0.73 H new ATOM 0 HA ASP A 105 2.317 -12.152 3.625 1.00 0.78 H new ATOM 0 HB2 ASP A 105 2.603 -11.176 0.737 1.00 0.83 H new ATOM 0 HB3 ASP A 105 3.897 -11.431 1.892 1.00 0.83 H new ATOM 1709 N ILE A 106 0.594 -9.685 2.432 1.00 0.67 N ATOM 1710 CA ILE A 106 0.228 -8.259 2.692 1.00 0.64 C ATOM 1711 C ILE A 106 -0.643 -8.220 3.951 1.00 0.59 C ATOM 1712 O ILE A 106 -0.231 -7.761 4.998 1.00 0.61 O ATOM 1713 CB ILE A 106 -0.554 -7.687 1.488 1.00 0.61 C ATOM 1714 CG1 ILE A 106 -0.105 -8.372 0.190 1.00 0.64 C ATOM 1715 CG2 ILE A 106 -0.313 -6.178 1.369 1.00 0.62 C ATOM 1716 CD1 ILE A 106 1.399 -8.167 -0.035 1.00 0.72 C ATOM 0 H ILE A 106 -0.017 -10.176 1.779 1.00 0.67 H new ATOM 0 HA ILE A 106 1.125 -7.656 2.833 1.00 0.64 H new ATOM 0 HB ILE A 106 -1.616 -7.874 1.648 1.00 0.61 H new ATOM 0 HG12 ILE A 106 -0.329 -9.438 0.238 1.00 0.64 H new ATOM 0 HG13 ILE A 106 -0.663 -7.967 -0.654 1.00 0.64 H new ATOM 0 HG21 ILE A 106 -0.869 -5.787 0.517 1.00 0.62 H new ATOM 0 HG22 ILE A 106 -0.649 -5.683 2.280 1.00 0.62 H new ATOM 0 HG23 ILE A 106 0.751 -5.990 1.225 1.00 0.62 H new ATOM 0 HD11 ILE A 106 1.699 -8.660 -0.960 1.00 0.72 H new ATOM 0 HD12 ILE A 106 1.614 -7.101 -0.105 1.00 0.72 H new ATOM 0 HD13 ILE A 106 1.953 -8.595 0.800 1.00 0.72 H new ATOM 1728 N VAL A 107 -1.845 -8.732 3.850 1.00 0.54 N ATOM 1729 CA VAL A 107 -2.762 -8.769 5.028 1.00 0.51 C ATOM 1730 C VAL A 107 -1.978 -9.289 6.233 1.00 0.53 C ATOM 1731 O VAL A 107 -2.283 -8.989 7.370 1.00 0.50 O ATOM 1732 CB VAL A 107 -3.897 -9.771 4.706 1.00 0.49 C ATOM 1733 CG1 VAL A 107 -4.711 -10.170 5.957 1.00 0.48 C ATOM 1734 CG2 VAL A 107 -4.836 -9.168 3.662 1.00 0.46 C ATOM 0 H VAL A 107 -2.232 -9.129 2.994 1.00 0.54 H new ATOM 0 HA VAL A 107 -3.166 -7.780 5.242 1.00 0.51 H new ATOM 0 HB VAL A 107 -3.426 -10.675 4.320 1.00 0.49 H new ATOM 0 HG11 VAL A 107 -5.493 -10.874 5.673 1.00 0.48 H new ATOM 0 HG12 VAL A 107 -4.050 -10.637 6.687 1.00 0.48 H new ATOM 0 HG13 VAL A 107 -5.165 -9.281 6.395 1.00 0.48 H new ATOM 0 HG21 VAL A 107 -5.634 -9.876 3.438 1.00 0.46 H new ATOM 0 HG22 VAL A 107 -5.268 -8.246 4.051 1.00 0.46 H new ATOM 0 HG23 VAL A 107 -4.277 -8.951 2.752 1.00 0.46 H new ATOM 1744 N ASN A 108 -0.987 -10.095 5.982 1.00 0.59 N ATOM 1745 CA ASN A 108 -0.188 -10.682 7.092 1.00 0.63 C ATOM 1746 C ASN A 108 0.457 -9.572 7.936 1.00 0.63 C ATOM 1747 O ASN A 108 1.346 -9.828 8.724 1.00 0.66 O ATOM 1748 CB ASN A 108 0.911 -11.580 6.490 1.00 0.69 C ATOM 1749 CG ASN A 108 1.322 -12.654 7.505 1.00 1.07 C ATOM 1750 OD1 ASN A 108 2.256 -12.471 8.258 1.00 1.33 O ATOM 1751 ND2 ASN A 108 0.655 -13.774 7.555 1.00 1.35 N ATOM 0 H ASN A 108 -0.693 -10.375 5.046 1.00 0.59 H new ATOM 0 HA ASN A 108 -0.842 -11.269 7.737 1.00 0.63 H new ATOM 0 HB2 ASN A 108 0.548 -12.051 5.576 1.00 0.69 H new ATOM 0 HB3 ASN A 108 1.776 -10.976 6.216 1.00 0.69 H new ATOM 0 HD21 ASN A 108 0.919 -14.495 8.227 1.00 1.35 H new ATOM 0 HD22 ASN A 108 -0.130 -13.929 6.923 1.00 1.35 H new ATOM 1758 N CYS A 109 0.016 -8.347 7.794 1.00 0.61 N ATOM 1759 CA CYS A 109 0.605 -7.245 8.600 1.00 0.63 C ATOM 1760 C CYS A 109 2.134 -7.308 8.508 1.00 0.70 C ATOM 1761 O CYS A 109 2.833 -6.609 9.213 1.00 0.85 O ATOM 1762 CB CYS A 109 0.148 -7.415 10.052 1.00 0.62 C ATOM 1763 SG CYS A 109 -1.424 -6.551 10.297 1.00 0.66 S ATOM 0 H CYS A 109 -0.727 -8.067 7.154 1.00 0.61 H new ATOM 0 HA CYS A 109 0.276 -6.276 8.225 1.00 0.63 H new ATOM 0 HB2 CYS A 109 0.034 -8.473 10.287 1.00 0.62 H new ATOM 0 HB3 CYS A 109 0.903 -7.018 10.731 1.00 0.62 H new ATOM 0 HG CYS A 109 -1.812 -6.698 11.529 1.00 0.66 H new ATOM 1769 N ASP A 110 2.664 -8.131 7.638 1.00 0.72 N ATOM 1770 CA ASP A 110 4.135 -8.209 7.514 1.00 0.79 C ATOM 1771 C ASP A 110 4.616 -6.984 6.766 1.00 0.81 C ATOM 1772 O ASP A 110 3.867 -6.309 6.088 1.00 0.80 O ATOM 1773 CB ASP A 110 4.560 -9.463 6.753 1.00 0.84 C ATOM 1774 CG ASP A 110 4.025 -10.702 7.469 1.00 0.85 C ATOM 1775 OD1 ASP A 110 3.611 -10.570 8.609 1.00 0.88 O ATOM 1776 OD2 ASP A 110 4.038 -11.763 6.866 1.00 0.98 O ATOM 0 H ASP A 110 2.138 -8.745 7.016 1.00 0.72 H new ATOM 0 HA ASP A 110 4.573 -8.254 8.511 1.00 0.79 H new ATOM 0 HB2 ASP A 110 4.180 -9.428 5.732 1.00 0.84 H new ATOM 0 HB3 ASP A 110 5.647 -9.510 6.687 1.00 0.84 H new ATOM 1781 N LEU A 111 5.862 -6.697 6.896 1.00 0.89 N ATOM 1782 CA LEU A 111 6.453 -5.525 6.222 1.00 0.93 C ATOM 1783 C LEU A 111 7.132 -5.984 4.938 1.00 0.97 C ATOM 1784 O LEU A 111 6.858 -5.511 3.877 1.00 0.96 O ATOM 1785 CB LEU A 111 7.492 -4.906 7.163 1.00 1.02 C ATOM 1786 CG LEU A 111 6.793 -4.065 8.238 1.00 1.06 C ATOM 1787 CD1 LEU A 111 5.959 -4.973 9.150 1.00 1.09 C ATOM 1788 CD2 LEU A 111 7.850 -3.335 9.071 1.00 1.12 C ATOM 0 H LEU A 111 6.519 -7.239 7.457 1.00 0.89 H new ATOM 0 HA LEU A 111 5.685 -4.790 5.980 1.00 0.93 H new ATOM 0 HB2 LEU A 111 8.083 -5.692 7.632 1.00 1.02 H new ATOM 0 HB3 LEU A 111 8.183 -4.283 6.595 1.00 1.02 H new ATOM 0 HG LEU A 111 6.135 -3.340 7.760 1.00 1.06 H new ATOM 0 HD11 LEU A 111 5.465 -4.369 9.911 1.00 1.09 H new ATOM 0 HD12 LEU A 111 5.208 -5.494 8.556 1.00 1.09 H new ATOM 0 HD13 LEU A 111 6.610 -5.702 9.631 1.00 1.09 H new ATOM 0 HD21 LEU A 111 7.359 -2.735 9.837 1.00 1.12 H new ATOM 0 HD22 LEU A 111 8.506 -4.064 9.546 1.00 1.12 H new ATOM 0 HD23 LEU A 111 8.439 -2.685 8.423 1.00 1.12 H new ATOM 1800 N LYS A 112 8.035 -6.897 5.065 1.00 1.00 N ATOM 1801 CA LYS A 112 8.814 -7.413 3.902 1.00 1.04 C ATOM 1802 C LYS A 112 8.054 -7.378 2.572 1.00 1.02 C ATOM 1803 O LYS A 112 8.292 -6.550 1.704 1.00 1.04 O ATOM 1804 CB LYS A 112 9.153 -8.865 4.227 1.00 1.06 C ATOM 1805 CG LYS A 112 10.013 -9.464 3.108 1.00 1.12 C ATOM 1806 CD LYS A 112 10.890 -10.605 3.656 1.00 1.15 C ATOM 1807 CE LYS A 112 11.975 -10.057 4.605 1.00 1.20 C ATOM 1808 NZ LYS A 112 13.192 -10.912 4.501 1.00 1.17 N ATOM 0 H LYS A 112 8.281 -7.328 5.956 1.00 1.00 H new ATOM 0 HA LYS A 112 9.687 -6.774 3.766 1.00 1.04 H new ATOM 0 HB2 LYS A 112 9.687 -8.919 5.176 1.00 1.06 H new ATOM 0 HB3 LYS A 112 8.237 -9.444 4.343 1.00 1.06 H new ATOM 0 HG2 LYS A 112 9.372 -9.840 2.310 1.00 1.12 H new ATOM 0 HG3 LYS A 112 10.644 -8.690 2.672 1.00 1.12 H new ATOM 0 HD2 LYS A 112 10.267 -11.325 4.186 1.00 1.15 H new ATOM 0 HD3 LYS A 112 11.360 -11.138 2.829 1.00 1.15 H new ATOM 0 HE2 LYS A 112 12.216 -9.026 4.345 1.00 1.20 H new ATOM 0 HE3 LYS A 112 11.608 -10.049 5.631 1.00 1.20 H new ATOM 0 HZ1 LYS A 112 13.928 -10.547 5.139 1.00 1.17 H new ATOM 0 HZ2 LYS A 112 12.954 -11.888 4.769 1.00 1.17 H new ATOM 0 HZ3 LYS A 112 13.544 -10.897 3.522 1.00 1.17 H new ATOM 1822 N SER A 113 7.176 -8.290 2.398 1.00 0.98 N ATOM 1823 CA SER A 113 6.411 -8.379 1.134 1.00 0.96 C ATOM 1824 C SER A 113 5.638 -7.080 0.871 1.00 0.92 C ATOM 1825 O SER A 113 5.792 -6.418 -0.143 1.00 0.94 O ATOM 1826 CB SER A 113 5.423 -9.515 1.340 1.00 0.92 C ATOM 1827 OG SER A 113 5.097 -9.596 2.721 1.00 0.90 O ATOM 0 H SER A 113 6.942 -9.002 3.090 1.00 0.98 H new ATOM 0 HA SER A 113 7.073 -8.544 0.284 1.00 0.96 H new ATOM 0 HB2 SER A 113 4.523 -9.344 0.750 1.00 0.92 H new ATOM 0 HB3 SER A 113 5.854 -10.456 0.998 1.00 0.92 H new ATOM 0 HG SER A 113 4.136 -9.442 2.840 1.00 0.90 H new ATOM 1833 N THR A 114 4.797 -6.751 1.790 1.00 0.88 N ATOM 1834 CA THR A 114 3.950 -5.532 1.689 1.00 0.85 C ATOM 1835 C THR A 114 4.781 -4.359 1.133 1.00 0.89 C ATOM 1836 O THR A 114 4.325 -3.587 0.314 1.00 0.89 O ATOM 1837 CB THR A 114 3.375 -5.254 3.111 1.00 0.81 C ATOM 1838 OG1 THR A 114 1.967 -5.099 3.022 1.00 0.76 O ATOM 1839 CG2 THR A 114 3.968 -3.996 3.756 1.00 0.84 C ATOM 0 H THR A 114 4.650 -7.292 2.642 1.00 0.88 H new ATOM 0 HA THR A 114 3.121 -5.667 0.995 1.00 0.85 H new ATOM 0 HB THR A 114 3.642 -6.104 3.738 1.00 0.81 H new ATOM 0 HG1 THR A 114 1.600 -4.926 3.914 1.00 0.76 H new ATOM 0 HG21 THR A 114 3.531 -3.853 4.744 1.00 0.84 H new ATOM 0 HG22 THR A 114 5.048 -4.110 3.850 1.00 0.84 H new ATOM 0 HG23 THR A 114 3.748 -3.129 3.133 1.00 0.84 H new ATOM 1847 N LEU A 115 5.995 -4.242 1.575 1.00 0.95 N ATOM 1848 CA LEU A 115 6.893 -3.149 1.119 1.00 1.00 C ATOM 1849 C LEU A 115 7.208 -3.324 -0.358 1.00 1.02 C ATOM 1850 O LEU A 115 7.274 -2.376 -1.101 1.00 1.02 O ATOM 1851 CB LEU A 115 8.204 -3.228 1.923 1.00 1.06 C ATOM 1852 CG LEU A 115 8.064 -2.469 3.258 1.00 1.04 C ATOM 1853 CD1 LEU A 115 9.038 -3.048 4.288 1.00 1.09 C ATOM 1854 CD2 LEU A 115 8.390 -0.983 3.045 1.00 1.06 C ATOM 0 H LEU A 115 6.416 -4.876 2.254 1.00 0.95 H new ATOM 0 HA LEU A 115 6.407 -2.185 1.271 1.00 1.00 H new ATOM 0 HB2 LEU A 115 8.458 -4.271 2.115 1.00 1.06 H new ATOM 0 HB3 LEU A 115 9.021 -2.803 1.340 1.00 1.06 H new ATOM 0 HG LEU A 115 7.041 -2.575 3.619 1.00 1.04 H new ATOM 0 HD11 LEU A 115 8.935 -2.508 5.229 1.00 1.09 H new ATOM 0 HD12 LEU A 115 8.814 -4.103 4.448 1.00 1.09 H new ATOM 0 HD13 LEU A 115 10.059 -2.946 3.921 1.00 1.09 H new ATOM 0 HD21 LEU A 115 8.290 -0.449 3.990 1.00 1.06 H new ATOM 0 HD22 LEU A 115 9.412 -0.884 2.678 1.00 1.06 H new ATOM 0 HD23 LEU A 115 7.700 -0.560 2.315 1.00 1.06 H new ATOM 1866 N ARG A 116 7.438 -4.525 -0.781 1.00 1.03 N ATOM 1867 CA ARG A 116 7.787 -4.743 -2.213 1.00 1.05 C ATOM 1868 C ARG A 116 6.650 -4.247 -3.132 1.00 1.01 C ATOM 1869 O ARG A 116 6.882 -3.533 -4.088 1.00 1.04 O ATOM 1870 CB ARG A 116 8.039 -6.248 -2.409 1.00 1.04 C ATOM 1871 CG ARG A 116 9.229 -6.511 -3.354 1.00 1.10 C ATOM 1872 CD ARG A 116 8.829 -6.156 -4.789 1.00 1.10 C ATOM 1873 NE ARG A 116 10.037 -6.194 -5.663 1.00 1.16 N ATOM 1874 CZ ARG A 116 9.906 -6.187 -6.961 1.00 1.17 C ATOM 1875 NH1 ARG A 116 8.717 -6.139 -7.497 1.00 1.13 N ATOM 1876 NH2 ARG A 116 10.965 -6.229 -7.724 1.00 1.23 N ATOM 0 H ARG A 116 7.401 -5.366 -0.206 1.00 1.03 H new ATOM 0 HA ARG A 116 8.681 -4.177 -2.477 1.00 1.05 H new ATOM 0 HB2 ARG A 116 8.233 -6.713 -1.442 1.00 1.04 H new ATOM 0 HB3 ARG A 116 7.142 -6.717 -2.814 1.00 1.04 H new ATOM 0 HG2 ARG A 116 10.089 -5.916 -3.047 1.00 1.10 H new ATOM 0 HG3 ARG A 116 9.528 -7.558 -3.297 1.00 1.10 H new ATOM 0 HD2 ARG A 116 8.080 -6.859 -5.154 1.00 1.10 H new ATOM 0 HD3 ARG A 116 8.377 -5.165 -4.818 1.00 1.10 H new ATOM 0 HE ARG A 116 10.967 -6.226 -5.245 1.00 1.16 H new ATOM 0 HH11 ARG A 116 7.890 -6.107 -6.901 1.00 1.13 H new ATOM 0 HH12 ARG A 116 8.615 -6.134 -8.512 1.00 1.13 H new ATOM 0 HH21 ARG A 116 11.894 -6.267 -7.305 1.00 1.23 H new ATOM 0 HH22 ARG A 116 10.863 -6.224 -8.739 1.00 1.23 H new ATOM 1890 N VAL A 117 5.432 -4.626 -2.859 1.00 0.95 N ATOM 1891 CA VAL A 117 4.297 -4.192 -3.727 1.00 0.91 C ATOM 1892 C VAL A 117 4.070 -2.687 -3.593 1.00 0.92 C ATOM 1893 O VAL A 117 3.833 -1.996 -4.566 1.00 0.94 O ATOM 1894 CB VAL A 117 3.025 -4.961 -3.318 1.00 0.85 C ATOM 1895 CG1 VAL A 117 1.772 -4.268 -3.871 1.00 0.82 C ATOM 1896 CG2 VAL A 117 3.093 -6.383 -3.879 1.00 0.85 C ATOM 0 H VAL A 117 5.172 -5.219 -2.071 1.00 0.95 H new ATOM 0 HA VAL A 117 4.535 -4.410 -4.768 1.00 0.91 H new ATOM 0 HB VAL A 117 2.967 -4.984 -2.230 1.00 0.85 H new ATOM 0 HG11 VAL A 117 0.885 -4.826 -3.571 1.00 0.82 H new ATOM 0 HG12 VAL A 117 1.713 -3.254 -3.476 1.00 0.82 H new ATOM 0 HG13 VAL A 117 1.827 -4.231 -4.959 1.00 0.82 H new ATOM 0 HG21 VAL A 117 2.195 -6.931 -3.592 1.00 0.85 H new ATOM 0 HG22 VAL A 117 3.161 -6.342 -4.966 1.00 0.85 H new ATOM 0 HG23 VAL A 117 3.971 -6.890 -3.479 1.00 0.85 H new ATOM 1906 N LEU A 118 4.128 -2.170 -2.407 1.00 0.91 N ATOM 1907 CA LEU A 118 3.902 -0.721 -2.242 1.00 0.92 C ATOM 1908 C LEU A 118 4.967 0.038 -3.000 1.00 0.98 C ATOM 1909 O LEU A 118 4.673 0.963 -3.712 1.00 1.00 O ATOM 1910 CB LEU A 118 3.955 -0.363 -0.772 1.00 0.92 C ATOM 1911 CG LEU A 118 2.805 -1.062 -0.031 1.00 0.86 C ATOM 1912 CD1 LEU A 118 3.142 -1.119 1.450 1.00 0.86 C ATOM 1913 CD2 LEU A 118 1.493 -0.285 -0.214 1.00 0.81 C ATOM 0 H LEU A 118 4.321 -2.686 -1.549 1.00 0.91 H new ATOM 0 HA LEU A 118 2.921 -0.454 -2.635 1.00 0.92 H new ATOM 0 HB2 LEU A 118 4.912 -0.666 -0.348 1.00 0.92 H new ATOM 0 HB3 LEU A 118 3.879 0.717 -0.647 1.00 0.92 H new ATOM 0 HG LEU A 118 2.679 -2.066 -0.436 1.00 0.86 H new ATOM 0 HD11 LEU A 118 2.333 -1.613 1.988 1.00 0.86 H new ATOM 0 HD12 LEU A 118 4.067 -1.678 1.591 1.00 0.86 H new ATOM 0 HD13 LEU A 118 3.268 -0.107 1.834 1.00 0.86 H new ATOM 0 HD21 LEU A 118 0.690 -0.796 0.318 1.00 0.81 H new ATOM 0 HD22 LEU A 118 1.608 0.723 0.184 1.00 0.81 H new ATOM 0 HD23 LEU A 118 1.248 -0.230 -1.275 1.00 0.81 H new ATOM 1925 N TYR A 119 6.201 -0.356 -2.887 1.00 1.03 N ATOM 1926 CA TYR A 119 7.267 0.345 -3.651 1.00 1.09 C ATOM 1927 C TYR A 119 6.798 0.446 -5.089 1.00 1.08 C ATOM 1928 O TYR A 119 6.752 1.499 -5.687 1.00 1.11 O ATOM 1929 CB TYR A 119 8.536 -0.492 -3.613 1.00 1.13 C ATOM 1930 CG TYR A 119 9.652 0.272 -4.269 1.00 1.20 C ATOM 1931 CD1 TYR A 119 10.251 1.340 -3.600 1.00 1.24 C ATOM 1932 CD2 TYR A 119 10.080 -0.086 -5.547 1.00 1.24 C ATOM 1933 CE1 TYR A 119 11.288 2.055 -4.213 1.00 1.31 C ATOM 1934 CE2 TYR A 119 11.116 0.624 -6.164 1.00 1.31 C ATOM 1935 CZ TYR A 119 11.721 1.695 -5.496 1.00 1.34 C ATOM 1936 OH TYR A 119 12.743 2.398 -6.101 1.00 1.41 O ATOM 0 H TYR A 119 6.518 -1.129 -2.302 1.00 1.03 H new ATOM 0 HA TYR A 119 7.465 1.330 -3.228 1.00 1.09 H new ATOM 0 HB2 TYR A 119 8.799 -0.729 -2.582 1.00 1.13 H new ATOM 0 HB3 TYR A 119 8.376 -1.440 -4.127 1.00 1.13 H new ATOM 0 HD1 TYR A 119 9.916 1.615 -2.611 1.00 1.24 H new ATOM 0 HD2 TYR A 119 9.611 -0.912 -6.061 1.00 1.24 H new ATOM 0 HE1 TYR A 119 11.753 2.882 -3.698 1.00 1.31 H new ATOM 0 HE2 TYR A 119 11.448 0.346 -7.153 1.00 1.31 H new ATOM 0 HH TYR A 119 12.921 2.019 -6.987 1.00 1.41 H new ATOM 1946 N ASN A 120 6.418 -0.671 -5.615 1.00 1.06 N ATOM 1947 CA ASN A 120 5.901 -0.730 -7.002 1.00 1.05 C ATOM 1948 C ASN A 120 4.898 0.427 -7.223 1.00 1.03 C ATOM 1949 O ASN A 120 4.897 1.089 -8.252 1.00 1.05 O ATOM 1950 CB ASN A 120 5.200 -2.101 -7.173 1.00 1.01 C ATOM 1951 CG ASN A 120 5.546 -2.715 -8.536 1.00 1.04 C ATOM 1952 OD1 ASN A 120 6.589 -3.317 -8.697 1.00 1.06 O ATOM 1953 ND2 ASN A 120 4.710 -2.584 -9.529 1.00 1.06 N ATOM 0 H ASN A 120 6.443 -1.569 -5.133 1.00 1.06 H new ATOM 0 HA ASN A 120 6.704 -0.626 -7.732 1.00 1.05 H new ATOM 0 HB2 ASN A 120 5.508 -2.776 -6.375 1.00 1.01 H new ATOM 0 HB3 ASN A 120 4.120 -1.977 -7.087 1.00 1.01 H new ATOM 0 HD21 ASN A 120 4.932 -2.987 -10.439 1.00 1.06 H new ATOM 0 HD22 ASN A 120 3.834 -2.079 -9.395 1.00 1.06 H new ATOM 1960 N LEU A 121 4.047 0.677 -6.261 1.00 0.99 N ATOM 1961 CA LEU A 121 3.055 1.770 -6.415 1.00 0.97 C ATOM 1962 C LEU A 121 3.750 3.123 -6.316 1.00 1.03 C ATOM 1963 O LEU A 121 3.741 3.878 -7.250 1.00 1.05 O ATOM 1964 CB LEU A 121 2.005 1.673 -5.313 1.00 0.92 C ATOM 1965 CG LEU A 121 0.991 0.558 -5.634 1.00 0.87 C ATOM 1966 CD1 LEU A 121 0.246 0.164 -4.353 1.00 0.86 C ATOM 1967 CD2 LEU A 121 -0.025 1.032 -6.691 1.00 0.87 C ATOM 0 H LEU A 121 4.000 0.169 -5.378 1.00 0.99 H new ATOM 0 HA LEU A 121 2.578 1.674 -7.390 1.00 0.97 H new ATOM 0 HB2 LEU A 121 2.489 1.469 -4.358 1.00 0.92 H new ATOM 0 HB3 LEU A 121 1.487 2.626 -5.211 1.00 0.92 H new ATOM 0 HG LEU A 121 1.532 -0.301 -6.031 1.00 0.87 H new ATOM 0 HD11 LEU A 121 -0.472 -0.625 -4.578 1.00 0.86 H new ATOM 0 HD12 LEU A 121 0.960 -0.196 -3.613 1.00 0.86 H new ATOM 0 HD13 LEU A 121 -0.281 1.032 -3.957 1.00 0.86 H new ATOM 0 HD21 LEU A 121 -0.731 0.229 -6.903 1.00 0.87 H new ATOM 0 HD22 LEU A 121 -0.565 1.900 -6.313 1.00 0.87 H new ATOM 0 HD23 LEU A 121 0.502 1.302 -7.606 1.00 0.87 H new ATOM 1979 N PHE A 122 4.347 3.433 -5.190 1.00 1.05 N ATOM 1980 CA PHE A 122 5.036 4.744 -5.022 1.00 1.11 C ATOM 1981 C PHE A 122 5.759 5.098 -6.289 1.00 1.16 C ATOM 1982 O PHE A 122 5.952 6.240 -6.633 1.00 1.20 O ATOM 1983 CB PHE A 122 6.077 4.572 -3.901 1.00 1.14 C ATOM 1984 CG PHE A 122 6.220 5.832 -3.107 1.00 1.18 C ATOM 1985 CD1 PHE A 122 5.364 6.031 -2.049 1.00 1.16 C ATOM 1986 CD2 PHE A 122 7.213 6.769 -3.411 1.00 1.25 C ATOM 1987 CE1 PHE A 122 5.479 7.184 -1.260 1.00 1.20 C ATOM 1988 CE2 PHE A 122 7.333 7.927 -2.636 1.00 1.29 C ATOM 1989 CZ PHE A 122 6.465 8.135 -1.557 1.00 1.27 C ATOM 0 H PHE A 122 4.384 2.824 -4.373 1.00 1.05 H new ATOM 0 HA PHE A 122 4.315 5.527 -4.785 1.00 1.11 H new ATOM 0 HB2 PHE A 122 5.778 3.755 -3.244 1.00 1.14 H new ATOM 0 HB3 PHE A 122 7.040 4.298 -4.332 1.00 1.14 H new ATOM 0 HD1 PHE A 122 4.603 5.298 -1.826 1.00 1.16 H new ATOM 0 HD2 PHE A 122 7.884 6.599 -4.240 1.00 1.25 H new ATOM 0 HE1 PHE A 122 4.810 7.339 -0.426 1.00 1.20 H new ATOM 0 HE2 PHE A 122 8.093 8.658 -2.869 1.00 1.29 H new ATOM 0 HZ PHE A 122 6.555 9.027 -0.955 1.00 1.27 H new ATOM 1999 N THR A 123 6.146 4.106 -6.968 1.00 1.15 N ATOM 2000 CA THR A 123 6.878 4.327 -8.233 1.00 1.20 C ATOM 2001 C THR A 123 5.927 4.868 -9.293 1.00 1.18 C ATOM 2002 O THR A 123 6.184 5.873 -9.924 1.00 1.22 O ATOM 2003 CB THR A 123 7.479 3.004 -8.714 1.00 1.21 C ATOM 2004 OG1 THR A 123 8.149 2.369 -7.634 1.00 1.22 O ATOM 2005 CG2 THR A 123 8.472 3.276 -9.845 1.00 1.27 C ATOM 0 H THR A 123 5.995 3.129 -6.715 1.00 1.15 H new ATOM 0 HA THR A 123 7.676 5.050 -8.064 1.00 1.20 H new ATOM 0 HB THR A 123 6.684 2.354 -9.080 1.00 1.21 H new ATOM 0 HG1 THR A 123 7.532 1.757 -7.181 1.00 1.22 H new ATOM 0 HG21 THR A 123 8.900 2.334 -10.188 1.00 1.27 H new ATOM 0 HG22 THR A 123 7.956 3.763 -10.673 1.00 1.27 H new ATOM 0 HG23 THR A 123 9.268 3.926 -9.482 1.00 1.27 H new ATOM 2013 N LYS A 124 4.845 4.192 -9.510 1.00 1.12 N ATOM 2014 CA LYS A 124 3.892 4.631 -10.575 1.00 1.10 C ATOM 2015 C LYS A 124 2.987 5.786 -10.135 1.00 1.10 C ATOM 2016 O LYS A 124 2.353 6.411 -10.963 1.00 1.11 O ATOM 2017 CB LYS A 124 3.011 3.452 -10.962 1.00 1.04 C ATOM 2018 CG LYS A 124 3.873 2.268 -11.395 1.00 1.04 C ATOM 2019 CD LYS A 124 3.017 0.981 -11.393 1.00 0.99 C ATOM 2020 CE LYS A 124 3.386 0.130 -12.607 1.00 0.98 C ATOM 2021 NZ LYS A 124 2.559 -1.104 -12.630 1.00 0.92 N ATOM 0 H LYS A 124 4.571 3.352 -9.000 1.00 1.12 H new ATOM 0 HA LYS A 124 4.491 4.985 -11.414 1.00 1.10 H new ATOM 0 HB2 LYS A 124 2.384 3.165 -10.118 1.00 1.04 H new ATOM 0 HB3 LYS A 124 2.342 3.740 -11.773 1.00 1.04 H new ATOM 0 HG2 LYS A 124 4.280 2.445 -12.390 1.00 1.04 H new ATOM 0 HG3 LYS A 124 4.721 2.155 -10.719 1.00 1.04 H new ATOM 0 HD2 LYS A 124 3.187 0.419 -10.475 1.00 0.99 H new ATOM 0 HD3 LYS A 124 1.957 1.235 -11.420 1.00 0.99 H new ATOM 0 HE2 LYS A 124 3.230 0.700 -13.523 1.00 0.98 H new ATOM 0 HE3 LYS A 124 4.444 -0.131 -12.571 1.00 0.98 H new ATOM 0 HZ1 LYS A 124 3.179 -1.938 -12.586 1.00 0.92 H new ATOM 0 HZ2 LYS A 124 1.916 -1.106 -11.812 1.00 0.92 H new ATOM 0 HZ3 LYS A 124 2.002 -1.133 -13.508 1.00 0.92 H new ATOM 2035 N TYR A 125 2.882 6.066 -8.863 1.00 1.10 N ATOM 2036 CA TYR A 125 1.974 7.164 -8.412 1.00 1.11 C ATOM 2037 C TYR A 125 2.792 8.397 -8.033 1.00 1.17 C ATOM 2038 O TYR A 125 2.291 9.502 -7.993 1.00 1.20 O ATOM 2039 CB TYR A 125 1.179 6.670 -7.208 1.00 1.06 C ATOM 2040 CG TYR A 125 0.102 5.700 -7.673 1.00 1.00 C ATOM 2041 CD1 TYR A 125 0.451 4.464 -8.256 1.00 0.97 C ATOM 2042 CD2 TYR A 125 -1.251 6.035 -7.525 1.00 0.99 C ATOM 2043 CE1 TYR A 125 -0.550 3.582 -8.680 1.00 0.92 C ATOM 2044 CE2 TYR A 125 -2.244 5.148 -7.950 1.00 0.94 C ATOM 2045 CZ TYR A 125 -1.896 3.923 -8.526 1.00 0.90 C ATOM 2046 OH TYR A 125 -2.881 3.052 -8.945 1.00 0.86 O ATOM 0 H TYR A 125 3.384 5.584 -8.117 1.00 1.10 H new ATOM 0 HA TYR A 125 1.293 7.439 -9.218 1.00 1.11 H new ATOM 0 HB2 TYR A 125 1.843 6.179 -6.497 1.00 1.06 H new ATOM 0 HB3 TYR A 125 0.724 7.513 -6.689 1.00 1.06 H new ATOM 0 HD1 TYR A 125 1.491 4.198 -8.375 1.00 0.97 H new ATOM 0 HD2 TYR A 125 -1.527 6.980 -7.082 1.00 0.99 H new ATOM 0 HE1 TYR A 125 -0.281 2.636 -9.127 1.00 0.92 H new ATOM 0 HE2 TYR A 125 -3.285 5.410 -7.833 1.00 0.94 H new ATOM 0 HH TYR A 125 -3.761 3.442 -8.764 1.00 0.86 H new ATOM 2056 N ARG A 126 4.046 8.216 -7.762 1.00 1.20 N ATOM 2057 CA ARG A 126 4.913 9.360 -7.393 1.00 1.27 C ATOM 2058 C ARG A 126 4.670 10.539 -8.349 1.00 1.31 C ATOM 2059 O ARG A 126 4.786 11.688 -7.972 1.00 1.35 O ATOM 2060 CB ARG A 126 6.377 8.863 -7.447 1.00 1.31 C ATOM 2061 CG ARG A 126 7.305 9.930 -8.034 1.00 1.38 C ATOM 2062 CD ARG A 126 8.787 9.496 -7.922 1.00 1.42 C ATOM 2063 NE ARG A 126 9.620 10.643 -7.433 1.00 1.49 N ATOM 2064 CZ ARG A 126 9.499 11.840 -7.948 1.00 1.52 C ATOM 2065 NH1 ARG A 126 8.716 12.043 -8.972 1.00 1.50 N ATOM 2066 NH2 ARG A 126 10.187 12.831 -7.452 1.00 1.59 N ATOM 0 H ARG A 126 4.515 7.311 -7.780 1.00 1.20 H new ATOM 0 HA ARG A 126 4.688 9.721 -6.390 1.00 1.27 H new ATOM 0 HB2 ARG A 126 6.711 8.599 -6.444 1.00 1.31 H new ATOM 0 HB3 ARG A 126 6.434 7.957 -8.050 1.00 1.31 H new ATOM 0 HG2 ARG A 126 7.051 10.103 -9.080 1.00 1.38 H new ATOM 0 HG3 ARG A 126 7.158 10.874 -7.509 1.00 1.38 H new ATOM 0 HD2 ARG A 126 8.877 8.652 -7.238 1.00 1.42 H new ATOM 0 HD3 ARG A 126 9.151 9.159 -8.893 1.00 1.42 H new ATOM 0 HE ARG A 126 10.295 10.487 -6.684 1.00 1.49 H new ATOM 0 HH11 ARG A 126 8.193 11.266 -9.376 1.00 1.50 H new ATOM 0 HH12 ARG A 126 8.627 12.979 -9.368 1.00 1.50 H new ATOM 0 HH21 ARG A 126 10.817 12.672 -6.666 1.00 1.59 H new ATOM 0 HH22 ARG A 126 10.095 13.765 -7.851 1.00 1.59 H new ATOM 2080 N ASN A 127 4.362 10.258 -9.582 1.00 1.30 N ATOM 2081 CA ASN A 127 4.139 11.342 -10.583 1.00 1.33 C ATOM 2082 C ASN A 127 2.642 11.533 -10.798 1.00 1.29 C ATOM 2083 O ASN A 127 2.180 12.591 -11.176 1.00 1.31 O ATOM 2084 CB ASN A 127 4.816 10.912 -11.901 1.00 1.35 C ATOM 2085 CG ASN A 127 6.155 11.641 -12.086 1.00 1.43 C ATOM 2086 OD1 ASN A 127 6.237 12.608 -12.817 1.00 1.46 O ATOM 2087 ND2 ASN A 127 7.210 11.214 -11.448 1.00 1.46 N ATOM 0 H ASN A 127 4.253 9.311 -9.946 1.00 1.30 H new ATOM 0 HA ASN A 127 4.561 12.285 -10.235 1.00 1.33 H new ATOM 0 HB2 ASN A 127 4.980 9.834 -11.897 1.00 1.35 H new ATOM 0 HB3 ASN A 127 4.158 11.131 -12.742 1.00 1.35 H new ATOM 0 HD21 ASN A 127 8.104 11.692 -11.563 1.00 1.46 H new ATOM 0 HD22 ASN A 127 7.141 10.402 -10.834 1.00 1.46 H new ATOM 2094 N VAL A 128 1.896 10.505 -10.564 1.00 1.23 N ATOM 2095 CA VAL A 128 0.415 10.569 -10.749 1.00 1.18 C ATOM 2096 C VAL A 128 -0.255 10.683 -9.384 1.00 1.15 C ATOM 2097 O VAL A 128 0.032 9.950 -8.459 1.00 1.11 O ATOM 2098 CB VAL A 128 -0.043 9.300 -11.484 1.00 1.14 C ATOM 2099 CG1 VAL A 128 -1.550 9.081 -11.298 1.00 1.09 C ATOM 2100 CG2 VAL A 128 0.261 9.443 -12.978 1.00 1.17 C ATOM 0 H VAL A 128 2.247 9.602 -10.246 1.00 1.23 H new ATOM 0 HA VAL A 128 0.136 11.440 -11.342 1.00 1.18 H new ATOM 0 HB VAL A 128 0.492 8.445 -11.070 1.00 1.14 H new ATOM 0 HG11 VAL A 128 -1.854 8.177 -11.826 1.00 1.09 H new ATOM 0 HG12 VAL A 128 -1.774 8.974 -10.237 1.00 1.09 H new ATOM 0 HG13 VAL A 128 -2.094 9.936 -11.699 1.00 1.09 H new ATOM 0 HG21 VAL A 128 -0.063 8.544 -13.503 1.00 1.17 H new ATOM 0 HG22 VAL A 128 -0.271 10.307 -13.376 1.00 1.17 H new ATOM 0 HG23 VAL A 128 1.333 9.580 -13.120 1.00 1.17 H new