USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 738 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 57 THR OG1 : rot -156:sc= 1.15 USER MOD Set 1.2: A 94 THR OG1 : rot 180:sc= 0.985 USER MOD Set 2.1: A 34 HIS : no HD1:sc= -0.511 X(o=-0.78,f=-0.69) USER MOD Set 2.2: A 81 HIS : no HE2:sc= -0.27 K(o=-0.78,f=-4.4!) USER MOD Single : A 15 MET CE :methyl 163:sc= -0.0502 (180deg=-0.418) USER MOD Single : A 20 ASN : amide:sc= -1.13! K(o=-1.1!,f=-0.26) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.067 X(o=-0.067,f=-0.56) USER MOD Single : A 28 SER OG : rot 160:sc= 0.0661 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -86:sc= 1.2 USER MOD Single : A 46 HIS : no HD1:sc= -0.0472 X(o=-0.047,f=0) USER MOD Single : A 48 GLN : amide:sc= -1.41! K(o=-1.4!,f=-0.066) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.377 X(o=-0.38,f=-0.58) USER MOD Single : A 78 SER OG : rot -14:sc= 0.473 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.00386 USER MOD Single : A 83 MET CE :methyl -174:sc= -0.0521 (180deg=-0.115) USER MOD Single : A 91 SER OG : rot 120:sc= -0.025 USER MOD Single : A 92 HIS : no HD1:sc= -0.087 X(o=-0.087,f=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0.157 USER MOD Single : A 96 ASN : amide:sc= -0.548 X(o=-0.55,f=-0.67) USER MOD Single : A 101 ASN : amide:sc= -0.346 K(o=-0.35,f=-9!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 72:sc= 1.88 USER MOD Single : A 115 ASN : amide:sc= -0.0832 X(o=-0.083,f=-0.39) USER MOD Single : A 116 THR OG1 : rot -66:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 128 N LEU A 13 5.249 -17.107 9.337 1.00 0.00 N ATOM 129 CA LEU A 13 5.011 -16.414 8.051 1.00 0.00 C ATOM 130 C LEU A 13 3.592 -16.400 7.445 1.00 0.00 C ATOM 131 O LEU A 13 2.977 -17.450 7.262 1.00 0.00 O ATOM 132 CB LEU A 13 5.980 -16.939 6.984 1.00 0.00 C ATOM 133 CG LEU A 13 7.448 -16.599 7.254 1.00 0.00 C ATOM 134 CD1 LEU A 13 8.335 -17.455 6.362 1.00 0.00 C ATOM 135 CD2 LEU A 13 7.765 -15.113 7.021 1.00 0.00 C ATOM 0 HA LEU A 13 5.176 -15.375 8.336 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.875 -18.022 6.914 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.695 -16.528 6.015 1.00 0.00 H new ATOM 0 HG LEU A 13 7.643 -16.808 8.306 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.381 -17.215 6.552 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.159 -18.509 6.578 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.101 -17.255 5.316 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.819 -14.929 7.227 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.547 -14.853 5.985 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.153 -14.502 7.685 1.00 0.00 H new ATOM 147 N PRO A 14 3.100 -15.229 6.982 1.00 0.00 N ATOM 148 CA PRO A 14 1.746 -15.108 6.461 1.00 0.00 C ATOM 149 C PRO A 14 1.607 -15.778 5.100 1.00 0.00 C ATOM 150 O PRO A 14 2.574 -15.846 4.336 1.00 0.00 O ATOM 151 CB PRO A 14 1.494 -13.613 6.296 1.00 0.00 C ATOM 152 CG PRO A 14 2.879 -13.062 6.004 1.00 0.00 C ATOM 153 CD PRO A 14 3.826 -13.982 6.754 1.00 0.00 C ATOM 0 HA PRO A 14 1.039 -15.588 7.137 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.799 -13.409 5.482 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.067 -13.174 7.198 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.089 -13.065 4.934 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.975 -12.031 6.345 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.732 -14.161 6.175 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.134 -13.534 7.699 1.00 0.00 H new ATOM 161 N MET A 15 0.374 -16.171 4.783 1.00 0.00 N ATOM 162 CA MET A 15 0.078 -17.165 3.763 1.00 0.00 C ATOM 163 C MET A 15 -0.626 -16.610 2.527 1.00 0.00 C ATOM 164 O MET A 15 -0.449 -17.165 1.443 1.00 0.00 O ATOM 165 CB MET A 15 -0.828 -18.229 4.388 1.00 0.00 C ATOM 166 CG MET A 15 -0.151 -19.016 5.513 1.00 0.00 C ATOM 167 SD MET A 15 -1.228 -20.267 6.262 1.00 0.00 S ATOM 168 CE MET A 15 -1.435 -21.398 4.862 1.00 0.00 C ATOM 0 H MET A 15 -0.459 -15.798 5.238 1.00 0.00 H new ATOM 0 HA MET A 15 1.035 -17.561 3.425 1.00 0.00 H new ATOM 0 HB2 MET A 15 -1.725 -17.748 4.779 1.00 0.00 H new ATOM 0 HB3 MET A 15 -1.151 -18.923 3.612 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.741 -19.503 5.120 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.179 -18.321 6.285 1.00 0.00 H new ATOM 0 HE1 MET A 15 -1.808 -22.357 5.221 1.00 0.00 H new ATOM 0 HE2 MET A 15 -2.147 -20.974 4.154 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.475 -21.544 4.367 1.00 0.00 H new ATOM 178 N VAL A 16 -1.491 -15.600 2.672 1.00 0.00 N ATOM 179 CA VAL A 16 -2.434 -15.194 1.621 1.00 0.00 C ATOM 180 C VAL A 16 -2.550 -13.661 1.561 1.00 0.00 C ATOM 181 O VAL A 16 -1.875 -12.940 2.304 1.00 0.00 O ATOM 182 CB VAL A 16 -3.796 -15.922 1.782 1.00 0.00 C ATOM 183 CG1 VAL A 16 -3.664 -17.455 1.837 1.00 0.00 C ATOM 184 CG2 VAL A 16 -4.605 -15.400 2.971 1.00 0.00 C ATOM 0 H VAL A 16 -1.558 -15.040 3.522 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.048 -15.506 0.651 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.351 -15.685 0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.652 -17.901 1.950 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.207 -17.814 0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.039 -17.736 2.685 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.547 -15.944 3.037 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.037 -15.546 3.890 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.808 -14.338 2.835 1.00 0.00 H new ATOM 194 N ALA A 17 -3.358 -13.171 0.622 1.00 0.00 N ATOM 195 CA ALA A 17 -3.557 -11.781 0.262 1.00 0.00 C ATOM 196 C ALA A 17 -5.027 -11.396 0.466 1.00 0.00 C ATOM 197 O ALA A 17 -5.914 -12.224 0.218 1.00 0.00 O ATOM 198 CB ALA A 17 -3.234 -11.624 -1.222 1.00 0.00 C ATOM 0 H ALA A 17 -3.933 -13.791 0.052 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.919 -11.148 0.879 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.377 -10.585 -1.517 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.199 -11.914 -1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.896 -12.262 -1.808 1.00 0.00 H new ATOM 204 N PRO A 18 -5.314 -10.148 0.868 1.00 0.00 N ATOM 205 CA PRO A 18 -6.677 -9.667 0.980 1.00 0.00 C ATOM 206 C PRO A 18 -7.253 -9.463 -0.420 1.00 0.00 C ATOM 207 O PRO A 18 -6.655 -8.787 -1.260 1.00 0.00 O ATOM 208 CB PRO A 18 -6.598 -8.379 1.789 1.00 0.00 C ATOM 209 CG PRO A 18 -5.184 -7.861 1.556 1.00 0.00 C ATOM 210 CD PRO A 18 -4.367 -9.072 1.109 1.00 0.00 C ATOM 0 HA PRO A 18 -7.344 -10.369 1.481 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.344 -7.657 1.457 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.782 -8.564 2.847 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.174 -7.080 0.796 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.772 -7.425 2.466 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.801 -8.845 0.206 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.645 -9.356 1.875 1.00 0.00 H new ATOM 218 N GLY A 19 -8.401 -10.085 -0.675 1.00 0.00 N ATOM 219 CA GLY A 19 -9.111 -9.992 -1.938 1.00 0.00 C ATOM 220 C GLY A 19 -10.113 -8.860 -1.933 1.00 0.00 C ATOM 221 O GLY A 19 -10.156 -8.052 -0.999 1.00 0.00 O ATOM 0 H GLY A 19 -8.870 -10.679 0.008 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.396 -9.842 -2.747 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.625 -10.932 -2.137 1.00 0.00 H new ATOM 225 N ASN A 20 -10.905 -8.840 -3.008 1.00 0.00 N ATOM 226 CA ASN A 20 -12.060 -7.985 -3.244 1.00 0.00 C ATOM 227 C ASN A 20 -11.789 -6.565 -2.753 1.00 0.00 C ATOM 228 O ASN A 20 -12.455 -6.040 -1.859 1.00 0.00 O ATOM 229 CB ASN A 20 -13.299 -8.685 -2.671 1.00 0.00 C ATOM 230 CG ASN A 20 -14.573 -7.856 -2.625 1.00 0.00 C ATOM 231 OD1 ASN A 20 -15.049 -7.326 -3.633 1.00 0.00 O ATOM 232 ND2 ASN A 20 -15.218 -7.805 -1.474 1.00 0.00 N ATOM 0 H ASN A 20 -10.739 -9.471 -3.792 1.00 0.00 H new ATOM 0 HA ASN A 20 -12.262 -7.845 -4.306 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -13.493 -9.579 -3.263 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -13.068 -9.017 -1.659 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -16.116 -7.325 -1.413 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -14.818 -8.245 -0.645 1.00 0.00 H new ATOM 239 N VAL A 21 -10.734 -5.981 -3.323 1.00 0.00 N ATOM 240 CA VAL A 21 -10.285 -4.637 -3.031 1.00 0.00 C ATOM 241 C VAL A 21 -11.264 -3.686 -3.711 1.00 0.00 C ATOM 242 O VAL A 21 -11.760 -3.952 -4.807 1.00 0.00 O ATOM 243 CB VAL A 21 -8.815 -4.484 -3.479 1.00 0.00 C ATOM 244 CG1 VAL A 21 -8.189 -3.139 -3.101 1.00 0.00 C ATOM 245 CG2 VAL A 21 -7.949 -5.554 -2.789 1.00 0.00 C ATOM 0 H VAL A 21 -10.157 -6.452 -4.020 1.00 0.00 H new ATOM 0 HA VAL A 21 -10.284 -4.403 -1.966 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.836 -4.577 -4.565 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.157 -3.107 -3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.754 -2.331 -3.566 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.210 -3.019 -2.018 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.912 -5.444 -3.107 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.012 -5.431 -1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.309 -6.546 -3.063 1.00 0.00 H new ATOM 255 N ARG A 22 -11.563 -2.568 -3.068 1.00 0.00 N ATOM 256 CA ARG A 22 -12.528 -1.593 -3.581 1.00 0.00 C ATOM 257 C ARG A 22 -12.158 -0.204 -3.109 1.00 0.00 C ATOM 258 O ARG A 22 -12.383 0.149 -1.957 1.00 0.00 O ATOM 259 CB ARG A 22 -13.992 -1.943 -3.246 1.00 0.00 C ATOM 260 CG ARG A 22 -14.267 -2.591 -1.881 1.00 0.00 C ATOM 261 CD ARG A 22 -14.858 -3.986 -2.084 1.00 0.00 C ATOM 262 NE ARG A 22 -14.855 -4.758 -0.837 1.00 0.00 N ATOM 263 CZ ARG A 22 -15.840 -4.836 0.060 1.00 0.00 C ATOM 264 NH1 ARG A 22 -16.978 -4.166 -0.097 1.00 0.00 N ATOM 265 NH2 ARG A 22 -15.703 -5.630 1.109 1.00 0.00 N ATOM 0 H ARG A 22 -11.146 -2.306 -2.175 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.471 -1.624 -4.669 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.581 -1.028 -3.310 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.364 -2.615 -4.019 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.343 -2.657 -1.306 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.957 -1.973 -1.306 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.879 -3.899 -2.457 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.285 -4.518 -2.844 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.010 -5.292 -0.634 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -17.113 -3.576 -0.918 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.716 -4.243 0.603 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -14.850 -6.176 1.227 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.451 -5.696 1.800 1.00 0.00 H new ATOM 279 N VAL A 23 -11.529 0.564 -3.978 1.00 0.00 N ATOM 280 CA VAL A 23 -10.937 1.856 -3.676 1.00 0.00 C ATOM 281 C VAL A 23 -11.844 2.894 -4.320 1.00 0.00 C ATOM 282 O VAL A 23 -12.288 2.711 -5.454 1.00 0.00 O ATOM 283 CB VAL A 23 -9.452 1.902 -4.148 1.00 0.00 C ATOM 284 CG1 VAL A 23 -9.157 0.890 -5.260 1.00 0.00 C ATOM 285 CG2 VAL A 23 -8.925 3.285 -4.549 1.00 0.00 C ATOM 0 H VAL A 23 -11.411 0.295 -4.955 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.879 2.059 -2.607 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.904 1.623 -3.248 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.109 0.964 -5.551 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.363 -0.118 -4.899 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.789 1.102 -6.122 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.884 3.201 -4.860 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.520 3.676 -5.374 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.996 3.962 -3.698 1.00 0.00 H new ATOM 295 N ASN A 24 -12.154 3.954 -3.581 1.00 0.00 N ATOM 296 CA ASN A 24 -13.041 5.042 -3.978 1.00 0.00 C ATOM 297 C ASN A 24 -12.310 6.377 -3.861 1.00 0.00 C ATOM 298 O ASN A 24 -11.652 6.618 -2.853 1.00 0.00 O ATOM 299 CB ASN A 24 -14.282 5.022 -3.087 1.00 0.00 C ATOM 300 CG ASN A 24 -15.061 6.311 -3.260 1.00 0.00 C ATOM 301 OD1 ASN A 24 -15.429 6.653 -4.380 1.00 0.00 O ATOM 302 ND2 ASN A 24 -15.258 7.031 -2.173 1.00 0.00 N ATOM 0 H ASN A 24 -11.775 4.084 -2.643 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.347 4.913 -5.016 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -14.911 4.169 -3.343 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -13.990 4.900 -2.044 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -15.741 7.927 -2.236 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -14.928 6.692 -1.270 1.00 0.00 H new ATOM 309 N VAL A 25 -12.424 7.260 -4.850 1.00 0.00 N ATOM 310 CA VAL A 25 -11.749 8.546 -4.829 1.00 0.00 C ATOM 311 C VAL A 25 -12.658 9.596 -4.194 1.00 0.00 C ATOM 312 O VAL A 25 -13.588 10.104 -4.827 1.00 0.00 O ATOM 313 CB VAL A 25 -11.215 8.925 -6.213 1.00 0.00 C ATOM 314 CG1 VAL A 25 -10.463 10.248 -6.078 1.00 0.00 C ATOM 315 CG2 VAL A 25 -10.273 7.831 -6.731 1.00 0.00 C ATOM 0 H VAL A 25 -12.987 7.100 -5.685 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.860 8.484 -4.201 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.036 9.028 -6.922 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.070 10.544 -7.051 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.143 11.017 -5.712 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.639 10.128 -5.375 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.898 8.110 -7.716 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.435 7.717 -6.043 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.815 6.888 -6.803 1.00 0.00 H new ATOM 325 N VAL A 26 -12.354 9.902 -2.935 1.00 0.00 N ATOM 326 CA VAL A 26 -13.072 10.817 -2.065 1.00 0.00 C ATOM 327 C VAL A 26 -12.926 12.264 -2.545 1.00 0.00 C ATOM 328 O VAL A 26 -13.929 12.949 -2.782 1.00 0.00 O ATOM 329 CB VAL A 26 -12.538 10.609 -0.626 1.00 0.00 C ATOM 330 CG1 VAL A 26 -13.043 11.655 0.372 1.00 0.00 C ATOM 331 CG2 VAL A 26 -12.862 9.193 -0.132 1.00 0.00 C ATOM 0 H VAL A 26 -11.546 9.488 -2.470 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.142 10.610 -2.084 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.457 10.738 -0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.629 11.447 1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.729 12.648 0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.131 11.616 0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.479 9.064 0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -13.942 9.045 -0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.395 8.462 -0.792 1.00 0.00 H new ATOM 341 N ASN A 27 -11.680 12.726 -2.666 1.00 0.00 N ATOM 342 CA ASN A 27 -11.312 14.043 -3.171 1.00 0.00 C ATOM 343 C ASN A 27 -10.310 13.838 -4.300 1.00 0.00 C ATOM 344 O ASN A 27 -9.787 12.740 -4.495 1.00 0.00 O ATOM 345 CB ASN A 27 -10.640 14.923 -2.105 1.00 0.00 C ATOM 346 CG ASN A 27 -11.382 15.103 -0.793 1.00 0.00 C ATOM 347 OD1 ASN A 27 -12.602 15.015 -0.696 1.00 0.00 O ATOM 348 ND2 ASN A 27 -10.624 15.346 0.256 1.00 0.00 N ATOM 0 H ASN A 27 -10.869 12.167 -2.403 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.223 14.546 -3.494 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.660 14.500 -1.885 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.471 15.909 -2.537 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.049 15.466 1.176 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.612 15.414 0.149 1.00 0.00 H new ATOM 355 N SER A 28 -9.934 14.910 -4.992 1.00 0.00 N ATOM 356 CA SER A 28 -9.002 14.802 -6.111 1.00 0.00 C ATOM 357 C SER A 28 -7.643 14.237 -5.693 1.00 0.00 C ATOM 358 O SER A 28 -7.022 13.531 -6.485 1.00 0.00 O ATOM 359 CB SER A 28 -8.826 16.144 -6.815 1.00 0.00 C ATOM 360 OG SER A 28 -9.265 17.249 -6.057 1.00 0.00 O ATOM 0 H SER A 28 -10.258 15.858 -4.800 1.00 0.00 H new ATOM 0 HA SER A 28 -9.445 14.094 -6.811 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.772 16.279 -7.060 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.372 16.123 -7.758 1.00 0.00 H new ATOM 0 HG SER A 28 -8.848 18.067 -6.399 1.00 0.00 H new ATOM 366 N THR A 29 -7.215 14.476 -4.451 1.00 0.00 N ATOM 367 CA THR A 29 -5.909 14.078 -3.935 1.00 0.00 C ATOM 368 C THR A 29 -6.001 13.147 -2.720 1.00 0.00 C ATOM 369 O THR A 29 -4.988 12.904 -2.052 1.00 0.00 O ATOM 370 CB THR A 29 -5.106 15.348 -3.652 1.00 0.00 C ATOM 371 OG1 THR A 29 -5.774 16.156 -2.710 1.00 0.00 O ATOM 372 CG2 THR A 29 -4.943 16.183 -4.918 1.00 0.00 C ATOM 0 H THR A 29 -7.785 14.965 -3.760 1.00 0.00 H new ATOM 0 HA THR A 29 -5.392 13.481 -4.686 1.00 0.00 H new ATOM 0 HB THR A 29 -4.134 15.032 -3.274 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.246 16.964 -2.539 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.368 17.081 -4.690 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.419 15.599 -5.674 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.925 16.467 -5.296 1.00 0.00 H new ATOM 380 N LEU A 30 -7.201 12.645 -2.414 1.00 0.00 N ATOM 381 CA LEU A 30 -7.474 11.680 -1.377 1.00 0.00 C ATOM 382 C LEU A 30 -8.377 10.583 -1.925 1.00 0.00 C ATOM 383 O LEU A 30 -9.528 10.863 -2.258 1.00 0.00 O ATOM 384 CB LEU A 30 -8.156 12.411 -0.224 1.00 0.00 C ATOM 385 CG LEU A 30 -8.477 11.491 0.957 1.00 0.00 C ATOM 386 CD1 LEU A 30 -7.209 10.830 1.504 1.00 0.00 C ATOM 387 CD2 LEU A 30 -9.158 12.360 2.009 1.00 0.00 C ATOM 0 H LEU A 30 -8.044 12.924 -2.917 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.552 11.216 -1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.512 13.221 0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.078 12.867 -0.584 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.131 10.674 0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.469 10.183 2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.740 10.237 0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.514 11.599 1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.410 11.751 2.877 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.484 13.161 2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.068 12.790 1.592 1.00 0.00 H new ATOM 399 N ALA A 31 -7.905 9.341 -1.961 1.00 0.00 N ATOM 400 CA ALA A 31 -8.765 8.181 -2.167 1.00 0.00 C ATOM 401 C ALA A 31 -8.860 7.379 -0.873 1.00 0.00 C ATOM 402 O ALA A 31 -8.058 7.570 0.037 1.00 0.00 O ATOM 403 CB ALA A 31 -8.232 7.338 -3.330 1.00 0.00 C ATOM 0 H ALA A 31 -6.918 9.111 -1.848 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.772 8.504 -2.432 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.879 6.473 -3.479 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.216 7.940 -4.239 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.221 7.000 -3.101 1.00 0.00 H new ATOM 409 N GLU A 32 -9.812 6.461 -0.792 1.00 0.00 N ATOM 410 CA GLU A 32 -9.966 5.435 0.209 1.00 0.00 C ATOM 411 C GLU A 32 -9.755 4.090 -0.463 1.00 0.00 C ATOM 412 O GLU A 32 -10.088 3.957 -1.638 1.00 0.00 O ATOM 413 CB GLU A 32 -11.385 5.573 0.739 1.00 0.00 C ATOM 414 CG GLU A 32 -11.446 5.243 2.215 1.00 0.00 C ATOM 415 CD GLU A 32 -11.850 3.832 2.593 1.00 0.00 C ATOM 416 OE1 GLU A 32 -11.469 2.891 1.883 1.00 0.00 O ATOM 417 OE2 GLU A 32 -12.514 3.719 3.653 1.00 0.00 O ATOM 0 H GLU A 32 -10.556 6.418 -1.488 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.252 5.522 1.028 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.741 6.590 0.575 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.050 4.909 0.186 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.465 5.440 2.646 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.146 5.933 2.687 1.00 0.00 H new ATOM 424 N VAL A 33 -9.220 3.100 0.239 1.00 0.00 N ATOM 425 CA VAL A 33 -9.021 1.759 -0.258 1.00 0.00 C ATOM 426 C VAL A 33 -9.644 0.802 0.735 1.00 0.00 C ATOM 427 O VAL A 33 -9.102 0.674 1.827 1.00 0.00 O ATOM 428 CB VAL A 33 -7.518 1.474 -0.427 1.00 0.00 C ATOM 429 CG1 VAL A 33 -7.344 0.089 -1.042 1.00 0.00 C ATOM 430 CG2 VAL A 33 -6.805 2.497 -1.308 1.00 0.00 C ATOM 0 H VAL A 33 -8.904 3.220 1.202 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.489 1.637 -1.235 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.068 1.534 0.564 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.282 -0.123 -1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.789 -0.659 -0.386 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.836 0.058 -2.014 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.749 2.237 -1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.253 2.496 -2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.903 3.489 -0.866 1.00 0.00 H new ATOM 440 N HIS A 34 -10.691 0.085 0.325 1.00 0.00 N ATOM 441 CA HIS A 34 -11.200 -1.065 1.081 1.00 0.00 C ATOM 442 C HIS A 34 -10.541 -2.341 0.561 1.00 0.00 C ATOM 443 O HIS A 34 -10.127 -2.409 -0.599 1.00 0.00 O ATOM 444 CB HIS A 34 -12.736 -1.201 0.998 1.00 0.00 C ATOM 445 CG HIS A 34 -13.485 -0.603 2.150 1.00 0.00 C ATOM 446 ND1 HIS A 34 -14.124 -1.300 3.155 1.00 0.00 N ATOM 447 CD2 HIS A 34 -13.646 0.734 2.377 1.00 0.00 C ATOM 448 CE1 HIS A 34 -14.695 -0.400 3.968 1.00 0.00 C ATOM 449 NE2 HIS A 34 -14.427 0.851 3.547 1.00 0.00 N ATOM 0 H HIS A 34 -11.208 0.281 -0.532 1.00 0.00 H new ATOM 0 HA HIS A 34 -10.951 -0.904 2.130 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -13.079 -0.730 0.077 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -12.989 -2.259 0.928 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -13.253 1.543 1.779 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -15.287 -0.644 4.838 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -14.731 1.718 3.990 1.00 0.00 H new ATOM 457 N TRP A 35 -10.518 -3.381 1.389 1.00 0.00 N ATOM 458 CA TRP A 35 -10.162 -4.757 1.065 1.00 0.00 C ATOM 459 C TRP A 35 -10.935 -5.716 1.976 1.00 0.00 C ATOM 460 O TRP A 35 -11.698 -5.280 2.845 1.00 0.00 O ATOM 461 CB TRP A 35 -8.641 -4.929 1.185 1.00 0.00 C ATOM 462 CG TRP A 35 -8.029 -4.620 2.522 1.00 0.00 C ATOM 463 CD1 TRP A 35 -7.983 -5.437 3.601 1.00 0.00 C ATOM 464 CD2 TRP A 35 -7.413 -3.370 2.949 1.00 0.00 C ATOM 465 NE1 TRP A 35 -7.385 -4.772 4.657 1.00 0.00 N ATOM 466 CE2 TRP A 35 -7.016 -3.490 4.312 1.00 0.00 C ATOM 467 CE3 TRP A 35 -7.191 -2.129 2.325 1.00 0.00 C ATOM 468 CZ2 TRP A 35 -6.432 -2.428 5.021 1.00 0.00 C ATOM 469 CZ3 TRP A 35 -6.585 -1.063 3.008 1.00 0.00 C ATOM 470 CH2 TRP A 35 -6.187 -1.216 4.350 1.00 0.00 C ATOM 0 H TRP A 35 -10.765 -3.276 2.373 1.00 0.00 H new ATOM 0 HA TRP A 35 -10.440 -4.993 0.038 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.394 -5.959 0.928 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -8.167 -4.292 0.439 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -8.355 -6.450 3.632 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -7.235 -5.181 5.579 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -7.494 -1.993 1.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -6.175 -2.540 6.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -6.423 -0.122 2.503 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.694 -0.404 4.864 1.00 0.00 H new ATOM 481 N ASP A 36 -10.760 -7.025 1.770 1.00 0.00 N ATOM 482 CA ASP A 36 -11.466 -8.061 2.526 1.00 0.00 C ATOM 483 C ASP A 36 -10.533 -8.713 3.561 1.00 0.00 C ATOM 484 O ASP A 36 -9.419 -9.119 3.203 1.00 0.00 O ATOM 485 CB ASP A 36 -12.034 -9.142 1.584 1.00 0.00 C ATOM 486 CG ASP A 36 -13.435 -8.827 1.047 1.00 0.00 C ATOM 487 OD1 ASP A 36 -13.968 -7.711 1.225 1.00 0.00 O ATOM 488 OD2 ASP A 36 -14.059 -9.735 0.454 1.00 0.00 O ATOM 0 H ASP A 36 -10.120 -7.397 1.069 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.294 -7.582 3.048 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.354 -9.270 0.742 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.065 -10.093 2.116 1.00 0.00 H new ATOM 493 N PRO A 37 -10.982 -8.896 4.818 1.00 0.00 N ATOM 494 CA PRO A 37 -10.192 -9.419 5.923 1.00 0.00 C ATOM 495 C PRO A 37 -9.903 -10.899 5.723 1.00 0.00 C ATOM 496 O PRO A 37 -10.804 -11.735 5.865 1.00 0.00 O ATOM 497 CB PRO A 37 -11.031 -9.210 7.187 1.00 0.00 C ATOM 498 CG PRO A 37 -12.469 -9.223 6.676 1.00 0.00 C ATOM 499 CD PRO A 37 -12.354 -8.690 5.252 1.00 0.00 C ATOM 0 HA PRO A 37 -9.231 -8.910 5.993 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.859 -10.001 7.917 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.789 -8.267 7.676 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.891 -10.228 6.694 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -13.116 -8.594 7.287 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -13.047 -9.210 4.591 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.613 -7.632 5.217 1.00 0.00 H new ATOM 507 N VAL A 38 -8.654 -11.232 5.404 1.00 0.00 N ATOM 508 CA VAL A 38 -8.233 -12.618 5.218 1.00 0.00 C ATOM 509 C VAL A 38 -8.516 -13.440 6.489 1.00 0.00 C ATOM 510 O VAL A 38 -8.593 -12.859 7.582 1.00 0.00 O ATOM 511 CB VAL A 38 -6.764 -12.697 4.760 1.00 0.00 C ATOM 512 CG1 VAL A 38 -6.598 -12.110 3.364 1.00 0.00 C ATOM 513 CG2 VAL A 38 -5.792 -11.936 5.651 1.00 0.00 C ATOM 0 H VAL A 38 -7.908 -10.550 5.268 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.822 -13.063 4.416 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.530 -13.761 4.798 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.553 -12.177 3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.215 -12.667 2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.907 -11.065 3.370 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.780 -12.042 5.260 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.065 -10.881 5.669 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.834 -12.339 6.663 1.00 0.00 H new ATOM 523 N PRO A 39 -8.676 -14.771 6.374 1.00 0.00 N ATOM 524 CA PRO A 39 -8.931 -15.638 7.514 1.00 0.00 C ATOM 525 C PRO A 39 -7.769 -15.498 8.489 1.00 0.00 C ATOM 526 O PRO A 39 -6.616 -15.600 8.066 1.00 0.00 O ATOM 527 CB PRO A 39 -9.025 -17.071 6.963 1.00 0.00 C ATOM 528 CG PRO A 39 -9.112 -16.906 5.446 1.00 0.00 C ATOM 529 CD PRO A 39 -8.430 -15.567 5.184 1.00 0.00 C ATOM 0 HA PRO A 39 -9.851 -15.382 8.040 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.153 -17.661 7.247 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.901 -17.588 7.355 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.607 -17.720 4.926 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -10.147 -16.901 5.103 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.362 -15.697 5.012 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.839 -15.084 4.297 1.00 0.00 H new ATOM 537 N LEU A 40 -8.027 -15.295 9.781 1.00 0.00 N ATOM 538 CA LEU A 40 -6.992 -15.019 10.767 1.00 0.00 C ATOM 539 C LEU A 40 -5.900 -16.101 10.779 1.00 0.00 C ATOM 540 O LEU A 40 -4.724 -15.787 10.952 1.00 0.00 O ATOM 541 CB LEU A 40 -7.691 -14.817 12.113 1.00 0.00 C ATOM 542 CG LEU A 40 -6.739 -14.250 13.170 1.00 0.00 C ATOM 543 CD1 LEU A 40 -7.505 -13.327 14.114 1.00 0.00 C ATOM 544 CD2 LEU A 40 -6.055 -15.333 14.005 1.00 0.00 C ATOM 0 H LEU A 40 -8.969 -15.318 10.172 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.446 -14.110 10.516 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.536 -14.141 11.985 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.094 -15.769 12.460 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.965 -13.708 12.627 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.823 -12.926 14.864 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.942 -12.506 13.545 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.298 -13.889 14.608 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.394 -14.866 14.735 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.810 -15.923 14.524 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.473 -15.983 13.352 1.00 0.00 H new ATOM 556 N LYS A 41 -6.262 -17.359 10.501 1.00 0.00 N ATOM 557 CA LYS A 41 -5.331 -18.478 10.340 1.00 0.00 C ATOM 558 C LYS A 41 -4.187 -18.136 9.382 1.00 0.00 C ATOM 559 O LYS A 41 -3.038 -18.475 9.656 1.00 0.00 O ATOM 560 CB LYS A 41 -6.102 -19.718 9.833 1.00 0.00 C ATOM 561 CG LYS A 41 -5.831 -20.981 10.660 1.00 0.00 C ATOM 562 CD LYS A 41 -6.494 -20.915 12.043 1.00 0.00 C ATOM 563 CE LYS A 41 -6.446 -22.286 12.721 1.00 0.00 C ATOM 564 NZ LYS A 41 -7.151 -22.282 14.018 1.00 0.00 N ATOM 0 H LYS A 41 -7.237 -17.632 10.379 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.885 -18.691 11.312 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.171 -19.504 9.849 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.830 -19.907 8.795 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.201 -21.853 10.122 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.756 -21.113 10.779 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.985 -20.177 12.663 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.529 -20.587 11.943 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.896 -23.032 12.065 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.407 -22.580 12.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.096 -23.228 14.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.706 -21.589 14.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.148 -22.026 13.870 1.00 0.00 H new ATOM 578 N SER A 42 -4.493 -17.460 8.271 1.00 0.00 N ATOM 579 CA SER A 42 -3.539 -17.166 7.212 1.00 0.00 C ATOM 580 C SER A 42 -2.431 -16.208 7.661 1.00 0.00 C ATOM 581 O SER A 42 -1.391 -16.145 7.008 1.00 0.00 O ATOM 582 CB SER A 42 -4.284 -16.609 5.992 1.00 0.00 C ATOM 583 OG SER A 42 -4.796 -15.312 6.232 1.00 0.00 O ATOM 0 H SER A 42 -5.428 -17.098 8.085 1.00 0.00 H new ATOM 0 HA SER A 42 -3.043 -18.099 6.944 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.609 -16.580 5.137 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.102 -17.279 5.729 1.00 0.00 H new ATOM 0 HG SER A 42 -5.676 -15.381 6.657 1.00 0.00 H new ATOM 589 N ILE A 43 -2.624 -15.463 8.756 1.00 0.00 N ATOM 590 CA ILE A 43 -1.601 -14.564 9.279 1.00 0.00 C ATOM 591 C ILE A 43 -0.434 -15.390 9.810 1.00 0.00 C ATOM 592 O ILE A 43 0.698 -14.926 9.718 1.00 0.00 O ATOM 593 CB ILE A 43 -2.159 -13.654 10.398 1.00 0.00 C ATOM 594 CG1 ILE A 43 -3.417 -12.901 9.912 1.00 0.00 C ATOM 595 CG2 ILE A 43 -1.077 -12.662 10.885 1.00 0.00 C ATOM 596 CD1 ILE A 43 -4.056 -12.072 11.022 1.00 0.00 C ATOM 0 H ILE A 43 -3.488 -15.469 9.297 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.264 -13.917 8.469 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.445 -14.284 11.240 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.149 -12.248 9.081 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.144 -13.619 9.532 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.490 -12.031 11.672 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.224 -13.217 11.275 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.754 -12.038 10.052 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.937 -11.561 10.633 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.349 -12.727 11.842 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.339 -11.335 11.384 1.00 0.00 H new ATOM 608 N ARG A 44 -0.697 -16.579 10.374 1.00 0.00 N ATOM 609 CA ARG A 44 0.294 -17.403 11.061 1.00 0.00 C ATOM 610 C ARG A 44 1.203 -16.563 11.960 1.00 0.00 C ATOM 611 O ARG A 44 2.414 -16.529 11.767 1.00 0.00 O ATOM 612 CB ARG A 44 1.091 -18.208 10.042 1.00 0.00 C ATOM 613 CG ARG A 44 0.237 -19.337 9.452 1.00 0.00 C ATOM 614 CD ARG A 44 1.133 -20.427 8.877 1.00 0.00 C ATOM 615 NE ARG A 44 2.028 -20.971 9.909 1.00 0.00 N ATOM 616 CZ ARG A 44 2.000 -22.161 10.500 1.00 0.00 C ATOM 617 NH1 ARG A 44 1.270 -23.152 10.016 1.00 0.00 N ATOM 618 NH2 ARG A 44 2.667 -22.324 11.629 1.00 0.00 N ATOM 0 H ARG A 44 -1.627 -16.998 10.362 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.228 -18.099 11.717 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.436 -17.552 9.243 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.978 -18.627 10.516 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.409 -19.756 10.224 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.414 -18.941 8.672 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.519 -21.227 8.464 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.723 -20.022 8.055 1.00 0.00 H new ATOM 0 HE ARG A 44 2.775 -20.347 10.214 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.714 -23.011 9.173 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.263 -24.057 10.486 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.189 -21.545 12.030 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.659 -23.229 12.100 1.00 0.00 H new ATOM 632 N GLY A 45 0.634 -15.833 12.914 1.00 0.00 N ATOM 633 CA GLY A 45 1.418 -14.958 13.771 1.00 0.00 C ATOM 634 C GLY A 45 0.603 -13.743 14.175 1.00 0.00 C ATOM 635 O GLY A 45 -0.613 -13.713 13.980 1.00 0.00 O ATOM 0 H GLY A 45 -0.367 -15.832 13.111 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.738 -15.501 14.660 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.321 -14.641 13.249 1.00 0.00 H new ATOM 639 N HIS A 46 1.259 -12.749 14.762 1.00 0.00 N ATOM 640 CA HIS A 46 0.654 -11.468 15.077 1.00 0.00 C ATOM 641 C HIS A 46 0.557 -10.640 13.809 1.00 0.00 C ATOM 642 O HIS A 46 1.562 -10.439 13.132 1.00 0.00 O ATOM 643 CB HIS A 46 1.516 -10.722 16.099 1.00 0.00 C ATOM 644 CG HIS A 46 0.985 -10.868 17.490 1.00 0.00 C ATOM 645 ND1 HIS A 46 1.625 -11.480 18.539 1.00 0.00 N ATOM 646 CD2 HIS A 46 -0.223 -10.403 17.928 1.00 0.00 C ATOM 647 CE1 HIS A 46 0.817 -11.373 19.604 1.00 0.00 C ATOM 648 NE2 HIS A 46 -0.314 -10.716 19.283 1.00 0.00 N ATOM 0 H HIS A 46 2.240 -12.815 15.035 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.340 -11.631 15.495 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.537 -11.102 16.059 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.558 -9.665 15.836 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.967 -9.890 17.336 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.043 -11.761 20.586 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -1.087 -10.491 19.910 1.00 0.00 H new ATOM 656 N LEU A 47 -0.637 -10.126 13.527 1.00 0.00 N ATOM 657 CA LEU A 47 -0.905 -9.180 12.459 1.00 0.00 C ATOM 658 C LEU A 47 -0.079 -7.925 12.739 1.00 0.00 C ATOM 659 O LEU A 47 -0.364 -7.210 13.699 1.00 0.00 O ATOM 660 CB LEU A 47 -2.416 -8.895 12.446 1.00 0.00 C ATOM 661 CG LEU A 47 -2.969 -8.325 11.129 1.00 0.00 C ATOM 662 CD1 LEU A 47 -4.468 -8.075 11.282 1.00 0.00 C ATOM 663 CD2 LEU A 47 -2.272 -7.046 10.699 1.00 0.00 C ATOM 0 H LEU A 47 -1.473 -10.369 14.059 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.627 -9.563 11.477 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.945 -9.821 12.672 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.643 -8.194 13.249 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.780 -9.062 10.348 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.866 -7.671 10.351 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.971 -9.013 11.515 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.637 -7.362 12.089 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.706 -6.692 9.764 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.400 -6.285 11.469 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.209 -7.241 10.555 1.00 0.00 H new ATOM 675 N GLN A 48 0.973 -7.664 11.964 1.00 0.00 N ATOM 676 CA GLN A 48 1.796 -6.475 12.176 1.00 0.00 C ATOM 677 C GLN A 48 1.221 -5.246 11.471 1.00 0.00 C ATOM 678 O GLN A 48 1.524 -4.127 11.883 1.00 0.00 O ATOM 679 CB GLN A 48 3.246 -6.758 11.758 1.00 0.00 C ATOM 680 CG GLN A 48 4.073 -7.451 12.842 1.00 0.00 C ATOM 681 CD GLN A 48 4.576 -6.482 13.904 1.00 0.00 C ATOM 682 OE1 GLN A 48 5.764 -6.184 13.965 1.00 0.00 O ATOM 683 NE2 GLN A 48 3.719 -6.022 14.789 1.00 0.00 N ATOM 0 H GLN A 48 1.274 -8.255 11.189 1.00 0.00 H new ATOM 0 HA GLN A 48 1.790 -6.240 13.240 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.242 -7.380 10.863 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.728 -5.818 11.491 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.468 -8.223 13.317 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.924 -7.952 12.380 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.734 -6.278 14.726 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.040 -5.409 15.539 1.00 0.00 H new ATOM 692 N GLY A 49 0.378 -5.421 10.456 1.00 0.00 N ATOM 693 CA GLY A 49 -0.390 -4.364 9.831 1.00 0.00 C ATOM 694 C GLY A 49 -0.651 -4.675 8.368 1.00 0.00 C ATOM 695 O GLY A 49 -0.437 -5.812 7.928 1.00 0.00 O ATOM 0 H GLY A 49 0.210 -6.336 10.037 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.338 -4.239 10.355 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.148 -3.420 9.916 1.00 0.00 H new ATOM 699 N TYR A 50 -1.146 -3.694 7.614 1.00 0.00 N ATOM 700 CA TYR A 50 -1.452 -3.834 6.186 1.00 0.00 C ATOM 701 C TYR A 50 -0.685 -2.749 5.422 1.00 0.00 C ATOM 702 O TYR A 50 -0.836 -1.551 5.670 1.00 0.00 O ATOM 703 CB TYR A 50 -2.971 -3.710 5.947 1.00 0.00 C ATOM 704 CG TYR A 50 -3.806 -4.945 6.270 1.00 0.00 C ATOM 705 CD1 TYR A 50 -3.898 -5.986 5.322 1.00 0.00 C ATOM 706 CD2 TYR A 50 -4.571 -5.019 7.455 1.00 0.00 C ATOM 707 CE1 TYR A 50 -4.777 -7.068 5.528 1.00 0.00 C ATOM 708 CE2 TYR A 50 -5.458 -6.089 7.661 1.00 0.00 C ATOM 709 CZ TYR A 50 -5.584 -7.104 6.686 1.00 0.00 C ATOM 710 OH TYR A 50 -6.497 -8.099 6.841 1.00 0.00 O ATOM 0 H TYR A 50 -1.350 -2.765 7.981 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.145 -4.817 5.830 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.345 -2.878 6.543 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.133 -3.451 4.901 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.289 -5.953 4.430 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.474 -4.249 8.206 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.833 -7.867 4.803 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.045 -6.136 8.566 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.970 -7.980 7.691 1.00 0.00 H new ATOM 720 N ARG A 51 0.211 -3.162 4.528 1.00 0.00 N ATOM 721 CA ARG A 51 1.050 -2.276 3.728 1.00 0.00 C ATOM 722 C ARG A 51 0.355 -2.099 2.388 1.00 0.00 C ATOM 723 O ARG A 51 -0.029 -3.101 1.782 1.00 0.00 O ATOM 724 CB ARG A 51 2.449 -2.911 3.598 1.00 0.00 C ATOM 725 CG ARG A 51 3.475 -1.989 2.926 1.00 0.00 C ATOM 726 CD ARG A 51 4.915 -2.454 3.207 1.00 0.00 C ATOM 727 NE ARG A 51 5.386 -2.004 4.534 1.00 0.00 N ATOM 728 CZ ARG A 51 6.317 -2.582 5.309 1.00 0.00 C ATOM 729 NH1 ARG A 51 6.880 -3.733 4.969 1.00 0.00 N ATOM 730 NH2 ARG A 51 6.672 -1.989 6.443 1.00 0.00 N ATOM 0 H ARG A 51 0.377 -4.150 4.336 1.00 0.00 H new ATOM 0 HA ARG A 51 1.186 -1.294 4.182 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.810 -3.183 4.590 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.369 -3.834 3.024 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.300 -1.970 1.850 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.343 -0.969 3.288 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.963 -3.542 3.153 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.580 -2.067 2.435 1.00 0.00 H new ATOM 0 HE ARG A 51 4.954 -1.157 4.903 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.608 -4.198 4.103 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.586 -4.154 5.574 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.239 -1.107 6.714 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.378 -2.416 7.043 1.00 0.00 H new ATOM 744 N ILE A 52 0.204 -0.858 1.927 1.00 0.00 N ATOM 745 CA ILE A 52 -0.278 -0.573 0.584 1.00 0.00 C ATOM 746 C ILE A 52 0.958 -0.152 -0.212 1.00 0.00 C ATOM 747 O ILE A 52 1.608 0.835 0.124 1.00 0.00 O ATOM 748 CB ILE A 52 -1.419 0.478 0.583 1.00 0.00 C ATOM 749 CG1 ILE A 52 -2.655 -0.020 1.376 1.00 0.00 C ATOM 750 CG2 ILE A 52 -1.828 0.778 -0.871 1.00 0.00 C ATOM 751 CD1 ILE A 52 -3.865 0.940 1.382 1.00 0.00 C ATOM 0 H ILE A 52 0.413 -0.025 2.477 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.743 -1.444 0.122 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.051 1.382 1.069 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.972 -0.976 0.960 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.354 -0.206 2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.630 1.516 -0.878 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.970 1.169 -1.417 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.174 -0.139 -1.348 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.676 0.500 1.963 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.573 1.890 1.829 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.201 1.108 0.359 1.00 0.00 H new ATOM 763 N TYR A 53 1.280 -0.884 -1.269 1.00 0.00 N ATOM 764 CA TYR A 53 2.238 -0.493 -2.302 1.00 0.00 C ATOM 765 C TYR A 53 1.398 0.218 -3.360 1.00 0.00 C ATOM 766 O TYR A 53 0.249 -0.162 -3.558 1.00 0.00 O ATOM 767 CB TYR A 53 2.828 -1.768 -2.934 1.00 0.00 C ATOM 768 CG TYR A 53 3.959 -2.442 -2.173 1.00 0.00 C ATOM 769 CD1 TYR A 53 3.730 -3.065 -0.928 1.00 0.00 C ATOM 770 CD2 TYR A 53 5.253 -2.454 -2.729 1.00 0.00 C ATOM 771 CE1 TYR A 53 4.800 -3.641 -0.212 1.00 0.00 C ATOM 772 CE2 TYR A 53 6.330 -3.003 -2.013 1.00 0.00 C ATOM 773 CZ TYR A 53 6.111 -3.582 -0.746 1.00 0.00 C ATOM 774 OH TYR A 53 7.185 -4.029 -0.041 1.00 0.00 O ATOM 0 H TYR A 53 0.868 -1.801 -1.440 1.00 0.00 H new ATOM 0 HA TYR A 53 3.046 0.126 -1.912 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.022 -2.491 -3.059 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.189 -1.518 -3.932 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.730 -3.101 -0.521 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.418 -2.039 -3.712 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.621 -4.124 0.737 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.325 -2.982 -2.433 1.00 0.00 H new ATOM 0 HH TYR A 53 7.999 -3.907 -0.573 1.00 0.00 H new ATOM 784 N TYR A 54 1.904 1.245 -4.037 1.00 0.00 N ATOM 785 CA TYR A 54 1.233 1.891 -5.153 1.00 0.00 C ATOM 786 C TYR A 54 2.240 2.598 -6.050 1.00 0.00 C ATOM 787 O TYR A 54 3.391 2.788 -5.655 1.00 0.00 O ATOM 788 CB TYR A 54 0.183 2.867 -4.606 1.00 0.00 C ATOM 789 CG TYR A 54 0.742 4.051 -3.862 1.00 0.00 C ATOM 790 CD1 TYR A 54 0.973 3.935 -2.484 1.00 0.00 C ATOM 791 CD2 TYR A 54 1.010 5.254 -4.534 1.00 0.00 C ATOM 792 CE1 TYR A 54 1.430 5.048 -1.755 1.00 0.00 C ATOM 793 CE2 TYR A 54 1.486 6.364 -3.815 1.00 0.00 C ATOM 794 CZ TYR A 54 1.657 6.278 -2.413 1.00 0.00 C ATOM 795 OH TYR A 54 2.075 7.373 -1.714 1.00 0.00 O ATOM 0 H TYR A 54 2.811 1.657 -3.818 1.00 0.00 H new ATOM 0 HA TYR A 54 0.732 1.141 -5.765 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.421 3.231 -5.437 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.486 2.322 -3.941 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.801 2.994 -1.983 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.851 5.326 -5.600 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.607 4.963 -0.693 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.721 7.282 -4.332 1.00 0.00 H new ATOM 0 HH TYR A 54 2.181 8.131 -2.326 1.00 0.00 H new ATOM 805 N TRP A 55 1.821 2.987 -7.251 1.00 0.00 N ATOM 806 CA TRP A 55 2.629 3.754 -8.176 1.00 0.00 C ATOM 807 C TRP A 55 1.765 4.675 -9.031 1.00 0.00 C ATOM 808 O TRP A 55 0.589 4.396 -9.301 1.00 0.00 O ATOM 809 CB TRP A 55 3.493 2.808 -9.024 1.00 0.00 C ATOM 810 CG TRP A 55 2.846 1.680 -9.771 1.00 0.00 C ATOM 811 CD1 TRP A 55 2.561 1.693 -11.091 1.00 0.00 C ATOM 812 CD2 TRP A 55 2.463 0.352 -9.287 1.00 0.00 C ATOM 813 NE1 TRP A 55 2.055 0.463 -11.462 1.00 0.00 N ATOM 814 CE2 TRP A 55 1.976 -0.405 -10.392 1.00 0.00 C ATOM 815 CE3 TRP A 55 2.495 -0.306 -8.036 1.00 0.00 C ATOM 816 CZ2 TRP A 55 1.538 -1.732 -10.255 1.00 0.00 C ATOM 817 CZ3 TRP A 55 2.011 -1.620 -7.878 1.00 0.00 C ATOM 818 CH2 TRP A 55 1.529 -2.335 -8.987 1.00 0.00 C ATOM 0 H TRP A 55 0.891 2.770 -7.609 1.00 0.00 H new ATOM 0 HA TRP A 55 3.300 4.400 -7.610 1.00 0.00 H new ATOM 0 HB2 TRP A 55 4.025 3.419 -9.753 1.00 0.00 H new ATOM 0 HB3 TRP A 55 4.244 2.373 -8.364 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.706 2.534 -11.753 1.00 0.00 H new ATOM 0 HE1 TRP A 55 1.773 0.225 -12.413 1.00 0.00 H new ATOM 0 HE3 TRP A 55 2.901 0.212 -7.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 1.209 -2.287 -11.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 2.011 -2.079 -6.900 1.00 0.00 H new ATOM 0 HH2 TRP A 55 1.154 -3.341 -8.865 1.00 0.00 H new ATOM 829 N LYS A 56 2.375 5.773 -9.490 1.00 0.00 N ATOM 830 CA LYS A 56 1.764 6.686 -10.440 1.00 0.00 C ATOM 831 C LYS A 56 1.678 5.922 -11.750 1.00 0.00 C ATOM 832 O LYS A 56 2.670 5.331 -12.174 1.00 0.00 O ATOM 833 CB LYS A 56 2.639 7.948 -10.562 1.00 0.00 C ATOM 834 CG LYS A 56 2.080 9.033 -11.500 1.00 0.00 C ATOM 835 CD LYS A 56 0.833 9.719 -10.920 1.00 0.00 C ATOM 836 CE LYS A 56 0.336 10.908 -11.755 1.00 0.00 C ATOM 837 NZ LYS A 56 1.064 12.169 -11.504 1.00 0.00 N ATOM 0 H LYS A 56 3.315 6.048 -9.205 1.00 0.00 H new ATOM 0 HA LYS A 56 0.772 7.018 -10.134 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.771 8.379 -9.569 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.627 7.655 -10.917 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.850 9.781 -11.686 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.831 8.585 -12.462 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.031 8.985 -10.837 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.056 10.064 -9.910 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.421 10.656 -12.812 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.723 11.065 -11.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.671 12.922 -12.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.963 12.435 -10.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.071 12.039 -11.728 1.00 0.00 H new ATOM 851 N THR A 57 0.495 5.890 -12.349 1.00 0.00 N ATOM 852 CA THR A 57 0.237 5.154 -13.575 1.00 0.00 C ATOM 853 C THR A 57 0.055 6.207 -14.662 1.00 0.00 C ATOM 854 O THR A 57 -0.684 7.174 -14.468 1.00 0.00 O ATOM 855 CB THR A 57 -0.975 4.245 -13.334 1.00 0.00 C ATOM 856 OG1 THR A 57 -0.697 3.397 -12.230 1.00 0.00 O ATOM 857 CG2 THR A 57 -1.356 3.377 -14.533 1.00 0.00 C ATOM 0 H THR A 57 -0.323 6.382 -11.990 1.00 0.00 H new ATOM 0 HA THR A 57 1.041 4.490 -13.891 1.00 0.00 H new ATOM 0 HB THR A 57 -1.823 4.904 -13.145 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.254 2.592 -12.287 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.222 2.765 -14.279 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.600 4.016 -15.382 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.519 2.730 -14.795 1.00 0.00 H new ATOM 1096 N LYS A 71 5.658 4.168 -4.702 1.00 0.00 N ATOM 1097 CA LYS A 71 5.613 4.577 -3.298 1.00 0.00 C ATOM 1098 C LYS A 71 5.071 3.423 -2.469 1.00 0.00 C ATOM 1099 O LYS A 71 4.775 2.352 -3.004 1.00 0.00 O ATOM 1100 CB LYS A 71 4.784 5.855 -3.137 1.00 0.00 C ATOM 1101 CG LYS A 71 5.707 7.079 -3.081 1.00 0.00 C ATOM 1102 CD LYS A 71 5.035 8.263 -3.747 1.00 0.00 C ATOM 1103 CE LYS A 71 5.943 9.502 -3.785 1.00 0.00 C ATOM 1104 NZ LYS A 71 5.756 10.315 -5.009 1.00 0.00 N ATOM 0 HA LYS A 71 6.615 4.813 -2.940 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.087 5.953 -3.970 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.187 5.798 -2.227 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.944 7.320 -2.045 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.650 6.857 -3.580 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.751 7.992 -4.764 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.116 8.505 -3.213 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.743 10.120 -2.910 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.984 9.186 -3.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.393 11.137 -4.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.973 9.737 -5.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.770 10.643 -5.061 1.00 0.00 H new ATOM 1118 N ILE A 72 4.968 3.628 -1.160 1.00 0.00 N ATOM 1119 CA ILE A 72 4.281 2.757 -0.212 1.00 0.00 C ATOM 1120 C ILE A 72 3.458 3.684 0.685 1.00 0.00 C ATOM 1121 O ILE A 72 3.714 4.893 0.746 1.00 0.00 O ATOM 1122 CB ILE A 72 5.286 1.914 0.620 1.00 0.00 C ATOM 1123 CG1 ILE A 72 6.365 1.166 -0.159 1.00 0.00 C ATOM 1124 CG2 ILE A 72 4.615 0.922 1.590 1.00 0.00 C ATOM 1125 CD1 ILE A 72 5.834 0.053 -1.009 1.00 0.00 C ATOM 0 H ILE A 72 5.381 4.445 -0.710 1.00 0.00 H new ATOM 0 HA ILE A 72 3.647 2.036 -0.728 1.00 0.00 H new ATOM 0 HB ILE A 72 5.788 2.705 1.177 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.898 1.873 -0.794 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.092 0.759 0.544 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.382 0.371 2.135 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.991 1.470 2.296 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.997 0.223 1.026 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.659 -0.431 -1.532 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.326 -0.676 -0.378 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.130 0.455 -1.737 1.00 0.00 H new ATOM 1137 N LEU A 73 2.484 3.133 1.401 1.00 0.00 N ATOM 1138 CA LEU A 73 1.759 3.775 2.483 1.00 0.00 C ATOM 1139 C LEU A 73 1.528 2.741 3.589 1.00 0.00 C ATOM 1140 O LEU A 73 1.517 1.529 3.338 1.00 0.00 O ATOM 1141 CB LEU A 73 0.442 4.369 1.939 1.00 0.00 C ATOM 1142 CG LEU A 73 0.379 5.897 2.142 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -0.346 6.612 1.009 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -0.437 6.241 3.373 1.00 0.00 C ATOM 0 H LEU A 73 2.166 2.179 1.231 1.00 0.00 H new ATOM 0 HA LEU A 73 2.329 4.602 2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.350 4.139 0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.404 3.900 2.442 1.00 0.00 H new ATOM 0 HG LEU A 73 1.420 6.212 2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.360 7.684 1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.171 6.422 0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.369 6.242 0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.469 7.323 3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.451 5.859 3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.022 5.788 4.252 1.00 0.00 H new ATOM 1156 N THR A 74 1.353 3.229 4.813 1.00 0.00 N ATOM 1157 CA THR A 74 1.416 2.451 6.041 1.00 0.00 C ATOM 1158 C THR A 74 0.038 2.500 6.689 1.00 0.00 C ATOM 1159 O THR A 74 -0.450 3.586 7.008 1.00 0.00 O ATOM 1160 CB THR A 74 2.489 3.082 6.951 1.00 0.00 C ATOM 1161 OG1 THR A 74 3.711 3.176 6.239 1.00 0.00 O ATOM 1162 CG2 THR A 74 2.741 2.337 8.265 1.00 0.00 C ATOM 0 H THR A 74 1.156 4.216 4.981 1.00 0.00 H new ATOM 0 HA THR A 74 1.685 1.411 5.858 1.00 0.00 H new ATOM 0 HB THR A 74 2.098 4.061 7.228 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.395 3.578 6.814 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.511 2.856 8.836 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.820 2.302 8.846 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.072 1.321 8.050 1.00 0.00 H new ATOM 1170 N PHE A 75 -0.587 1.340 6.889 1.00 0.00 N ATOM 1171 CA PHE A 75 -1.811 1.227 7.662 1.00 0.00 C ATOM 1172 C PHE A 75 -1.644 0.110 8.678 1.00 0.00 C ATOM 1173 O PHE A 75 -0.841 -0.814 8.500 1.00 0.00 O ATOM 1174 CB PHE A 75 -3.014 1.047 6.728 1.00 0.00 C ATOM 1175 CG PHE A 75 -3.243 2.284 5.883 1.00 0.00 C ATOM 1176 CD1 PHE A 75 -3.807 3.431 6.467 1.00 0.00 C ATOM 1177 CD2 PHE A 75 -2.789 2.341 4.555 1.00 0.00 C ATOM 1178 CE1 PHE A 75 -3.899 4.633 5.753 1.00 0.00 C ATOM 1179 CE2 PHE A 75 -2.871 3.545 3.839 1.00 0.00 C ATOM 1180 CZ PHE A 75 -3.396 4.693 4.447 1.00 0.00 C ATOM 0 H PHE A 75 -0.252 0.452 6.515 1.00 0.00 H new ATOM 0 HA PHE A 75 -2.010 2.142 8.220 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.849 0.186 6.080 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.906 0.836 7.317 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.175 3.385 7.481 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.377 1.460 4.086 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.352 5.503 6.204 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.528 3.587 2.816 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.413 5.628 3.907 1.00 0.00 H new ATOM 1190 N GLN A 76 -2.333 0.260 9.805 1.00 0.00 N ATOM 1191 CA GLN A 76 -2.208 -0.646 10.928 1.00 0.00 C ATOM 1192 C GLN A 76 -2.946 -1.959 10.685 1.00 0.00 C ATOM 1193 O GLN A 76 -3.425 -2.238 9.584 1.00 0.00 O ATOM 1194 CB GLN A 76 -2.686 0.086 12.196 1.00 0.00 C ATOM 1195 CG GLN A 76 -1.600 1.027 12.716 1.00 0.00 C ATOM 1196 CD GLN A 76 -0.357 0.242 13.134 1.00 0.00 C ATOM 1197 OE1 GLN A 76 -0.448 -0.796 13.787 1.00 0.00 O ATOM 1198 NE2 GLN A 76 0.809 0.692 12.720 1.00 0.00 N ATOM 0 H GLN A 76 -2.996 1.020 9.960 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.164 -0.931 11.060 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.591 0.653 11.976 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -2.944 -0.641 12.966 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -1.337 1.749 11.943 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.980 1.594 13.566 1.00 0.00 H new ATOM 0 HE21 GLN A 76 0.860 1.556 12.180 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.662 0.177 12.940 1.00 0.00 H new ATOM 1207 N GLY A 77 -2.962 -2.814 11.704 1.00 0.00 N ATOM 1208 CA GLY A 77 -3.605 -4.102 11.627 1.00 0.00 C ATOM 1209 C GLY A 77 -5.112 -3.989 11.662 1.00 0.00 C ATOM 1210 O GLY A 77 -5.692 -2.956 11.992 1.00 0.00 O ATOM 0 H GLY A 77 -2.525 -2.623 12.605 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.301 -4.604 10.709 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.269 -4.724 12.457 1.00 0.00 H new ATOM 1214 N SER A 78 -5.743 -5.114 11.358 1.00 0.00 N ATOM 1215 CA SER A 78 -7.149 -5.449 11.400 1.00 0.00 C ATOM 1216 C SER A 78 -8.120 -4.638 10.558 1.00 0.00 C ATOM 1217 O SER A 78 -9.168 -5.170 10.198 1.00 0.00 O ATOM 1218 CB SER A 78 -7.582 -5.550 12.855 1.00 0.00 C ATOM 1219 OG SER A 78 -7.529 -4.287 13.508 1.00 0.00 O ATOM 0 H SER A 78 -5.202 -5.916 11.034 1.00 0.00 H new ATOM 0 HA SER A 78 -7.216 -6.409 10.888 1.00 0.00 H new ATOM 0 HB2 SER A 78 -8.597 -5.944 12.906 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.939 -6.258 13.378 1.00 0.00 H new ATOM 0 HG SER A 78 -7.015 -3.657 12.961 1.00 0.00 H new ATOM 1225 N LYS A 79 -7.780 -3.404 10.193 1.00 0.00 N ATOM 1226 CA LYS A 79 -8.578 -2.623 9.276 1.00 0.00 C ATOM 1227 C LYS A 79 -8.768 -3.403 7.990 1.00 0.00 C ATOM 1228 O LYS A 79 -7.887 -4.132 7.537 1.00 0.00 O ATOM 1229 CB LYS A 79 -7.991 -1.237 8.954 1.00 0.00 C ATOM 1230 CG LYS A 79 -6.577 -0.870 9.422 1.00 0.00 C ATOM 1231 CD LYS A 79 -6.563 -0.153 10.782 1.00 0.00 C ATOM 1232 CE LYS A 79 -7.199 1.250 10.751 1.00 0.00 C ATOM 1233 NZ LYS A 79 -6.228 2.343 10.518 1.00 0.00 N ATOM 0 H LYS A 79 -6.944 -2.926 10.529 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.530 -2.441 9.774 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.013 -1.120 7.870 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.672 -0.493 9.369 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -5.975 -1.776 9.489 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.107 -0.230 8.675 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.093 -0.766 11.511 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.532 -0.067 11.127 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -7.957 1.277 9.968 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -7.711 1.427 11.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.727 3.255 10.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.517 2.344 11.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.756 2.199 9.603 1.00 0.00 H new ATOM 1247 N THR A 80 -9.898 -3.130 7.378 1.00 0.00 N ATOM 1248 CA THR A 80 -10.284 -3.588 6.064 1.00 0.00 C ATOM 1249 C THR A 80 -10.304 -2.399 5.105 1.00 0.00 C ATOM 1250 O THR A 80 -10.876 -2.489 4.023 1.00 0.00 O ATOM 1251 CB THR A 80 -11.615 -4.325 6.193 1.00 0.00 C ATOM 1252 OG1 THR A 80 -12.532 -3.543 6.932 1.00 0.00 O ATOM 1253 CG2 THR A 80 -11.398 -5.650 6.922 1.00 0.00 C ATOM 0 H THR A 80 -10.614 -2.547 7.811 1.00 0.00 H new ATOM 0 HA THR A 80 -9.571 -4.296 5.641 1.00 0.00 H new ATOM 0 HB THR A 80 -12.013 -4.509 5.195 1.00 0.00 H new ATOM 0 HG1 THR A 80 -13.383 -4.022 7.008 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.349 -6.175 7.013 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.697 -6.265 6.358 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.993 -5.457 7.915 1.00 0.00 H new ATOM 1261 N HIS A 81 -9.710 -1.271 5.513 1.00 0.00 N ATOM 1262 CA HIS A 81 -9.637 -0.068 4.722 1.00 0.00 C ATOM 1263 C HIS A 81 -8.457 0.818 5.118 1.00 0.00 C ATOM 1264 O HIS A 81 -7.887 0.678 6.205 1.00 0.00 O ATOM 1265 CB HIS A 81 -10.968 0.693 4.777 1.00 0.00 C ATOM 1266 CG HIS A 81 -11.626 0.846 6.130 1.00 0.00 C ATOM 1267 ND1 HIS A 81 -12.974 1.029 6.309 1.00 0.00 N ATOM 1268 CD2 HIS A 81 -11.058 0.734 7.371 1.00 0.00 C ATOM 1269 CE1 HIS A 81 -13.222 0.991 7.629 1.00 0.00 C ATOM 1270 NE2 HIS A 81 -12.083 0.790 8.324 1.00 0.00 N ATOM 0 H HIS A 81 -9.261 -1.182 6.425 1.00 0.00 H new ATOM 0 HA HIS A 81 -9.458 -0.364 3.688 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -10.803 1.690 4.368 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.672 0.189 4.115 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -13.665 1.169 5.572 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -10.004 0.622 7.579 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -14.200 1.106 8.073 1.00 0.00 H new ATOM 1278 N GLY A 82 -8.096 1.737 4.231 1.00 0.00 N ATOM 1279 CA GLY A 82 -6.992 2.679 4.310 1.00 0.00 C ATOM 1280 C GLY A 82 -7.312 3.864 3.404 1.00 0.00 C ATOM 1281 O GLY A 82 -8.404 3.935 2.844 1.00 0.00 O ATOM 0 H GLY A 82 -8.617 1.850 3.361 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.850 3.013 5.338 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.062 2.202 3.999 1.00 0.00 H new ATOM 1285 N MET A 83 -6.384 4.806 3.237 1.00 0.00 N ATOM 1286 CA MET A 83 -6.553 5.937 2.335 1.00 0.00 C ATOM 1287 C MET A 83 -5.316 6.099 1.466 1.00 0.00 C ATOM 1288 O MET A 83 -4.260 5.554 1.767 1.00 0.00 O ATOM 1289 CB MET A 83 -6.871 7.218 3.128 1.00 0.00 C ATOM 1290 CG MET A 83 -8.138 7.069 3.980 1.00 0.00 C ATOM 1291 SD MET A 83 -9.039 8.609 4.304 1.00 0.00 S ATOM 1292 CE MET A 83 -9.988 8.743 2.762 1.00 0.00 C ATOM 0 H MET A 83 -5.490 4.803 3.728 1.00 0.00 H new ATOM 0 HA MET A 83 -7.400 5.747 1.676 1.00 0.00 H new ATOM 0 HB2 MET A 83 -6.027 7.463 3.773 1.00 0.00 H new ATOM 0 HB3 MET A 83 -6.996 8.051 2.436 1.00 0.00 H new ATOM 0 HG2 MET A 83 -8.811 6.371 3.482 1.00 0.00 H new ATOM 0 HG3 MET A 83 -7.863 6.620 4.935 1.00 0.00 H new ATOM 0 HE1 MET A 83 -10.521 9.694 2.744 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.309 8.692 1.911 1.00 0.00 H new ATOM 0 HE3 MET A 83 -10.705 7.924 2.704 1.00 0.00 H new ATOM 1302 N LEU A 84 -5.418 6.902 0.414 1.00 0.00 N ATOM 1303 CA LEU A 84 -4.311 7.366 -0.393 1.00 0.00 C ATOM 1304 C LEU A 84 -4.336 8.893 -0.363 1.00 0.00 C ATOM 1305 O LEU A 84 -4.964 9.494 -1.233 1.00 0.00 O ATOM 1306 CB LEU A 84 -4.372 6.759 -1.815 1.00 0.00 C ATOM 1307 CG LEU A 84 -3.355 5.632 -2.061 1.00 0.00 C ATOM 1308 CD1 LEU A 84 -1.901 6.089 -1.932 1.00 0.00 C ATOM 1309 CD2 LEU A 84 -3.564 4.448 -1.126 1.00 0.00 C ATOM 0 H LEU A 84 -6.317 7.260 0.091 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.353 7.032 0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.376 6.373 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.203 7.551 -2.544 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.538 5.327 -3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.237 5.245 -2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.701 6.875 -2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.728 6.473 -0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.821 3.680 -1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.458 4.777 -0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.563 4.038 -1.275 1.00 0.00 H new ATOM 1321 N PRO A 85 -3.728 9.526 0.656 1.00 0.00 N ATOM 1322 CA PRO A 85 -3.472 10.962 0.696 1.00 0.00 C ATOM 1323 C PRO A 85 -2.122 11.311 0.048 1.00 0.00 C ATOM 1324 O PRO A 85 -1.158 10.550 0.194 1.00 0.00 O ATOM 1325 CB PRO A 85 -3.440 11.282 2.195 1.00 0.00 C ATOM 1326 CG PRO A 85 -2.849 10.018 2.819 1.00 0.00 C ATOM 1327 CD PRO A 85 -3.338 8.896 1.911 1.00 0.00 C ATOM 0 HA PRO A 85 -4.223 11.531 0.147 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.826 12.158 2.405 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.437 11.492 2.582 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.760 10.060 2.851 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.193 9.881 3.844 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.553 8.158 1.748 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.181 8.371 2.361 1.00 0.00 H new ATOM 1335 N GLY A 86 -2.022 12.475 -0.609 1.00 0.00 N ATOM 1336 CA GLY A 86 -0.790 12.942 -1.249 1.00 0.00 C ATOM 1337 C GLY A 86 -0.825 12.830 -2.776 1.00 0.00 C ATOM 1338 O GLY A 86 0.227 12.801 -3.426 1.00 0.00 O ATOM 0 H GLY A 86 -2.803 13.123 -0.711 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.615 13.981 -0.971 1.00 0.00 H new ATOM 0 HA3 GLY A 86 0.052 12.364 -0.868 1.00 0.00 H new ATOM 1342 N LEU A 87 -2.012 12.646 -3.354 1.00 0.00 N ATOM 1343 CA LEU A 87 -2.185 12.223 -4.741 1.00 0.00 C ATOM 1344 C LEU A 87 -2.315 13.463 -5.630 1.00 0.00 C ATOM 1345 O LEU A 87 -2.290 14.587 -5.130 1.00 0.00 O ATOM 1346 CB LEU A 87 -3.360 11.224 -4.821 1.00 0.00 C ATOM 1347 CG LEU A 87 -3.029 9.784 -4.359 1.00 0.00 C ATOM 1348 CD1 LEU A 87 -2.167 9.000 -5.340 1.00 0.00 C ATOM 1349 CD2 LEU A 87 -2.320 9.715 -3.003 1.00 0.00 C ATOM 0 H LEU A 87 -2.894 12.789 -2.862 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.317 11.683 -5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.182 11.604 -4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.715 11.186 -5.851 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.019 9.334 -4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.980 8.002 -4.943 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.685 8.919 -6.296 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.218 9.517 -5.484 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.122 8.674 -2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.378 10.261 -3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.955 10.161 -2.237 1.00 0.00 H new ATOM 1361 N GLU A 88 -2.432 13.279 -6.939 1.00 0.00 N ATOM 1362 CA GLU A 88 -2.747 14.326 -7.910 1.00 0.00 C ATOM 1363 C GLU A 88 -4.062 13.965 -8.595 1.00 0.00 C ATOM 1364 O GLU A 88 -4.332 12.777 -8.783 1.00 0.00 O ATOM 1365 CB GLU A 88 -1.638 14.426 -8.963 1.00 0.00 C ATOM 1366 CG GLU A 88 -0.522 15.394 -8.570 1.00 0.00 C ATOM 1367 CD GLU A 88 -0.735 16.768 -9.219 1.00 0.00 C ATOM 1368 OE1 GLU A 88 -1.622 17.524 -8.773 1.00 0.00 O ATOM 1369 OE2 GLU A 88 -0.035 17.063 -10.226 1.00 0.00 O ATOM 0 H GLU A 88 -2.306 12.364 -7.372 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.831 15.286 -7.400 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.211 13.437 -9.127 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.072 14.747 -9.910 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.492 15.500 -7.486 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.442 14.988 -8.877 1.00 0.00 H new ATOM 1376 N PRO A 89 -4.866 14.964 -8.990 1.00 0.00 N ATOM 1377 CA PRO A 89 -6.054 14.738 -9.786 1.00 0.00 C ATOM 1378 C PRO A 89 -5.723 14.408 -11.240 1.00 0.00 C ATOM 1379 O PRO A 89 -4.665 14.785 -11.755 1.00 0.00 O ATOM 1380 CB PRO A 89 -6.831 16.050 -9.765 1.00 0.00 C ATOM 1381 CG PRO A 89 -5.919 17.095 -9.124 1.00 0.00 C ATOM 1382 CD PRO A 89 -4.617 16.385 -8.819 1.00 0.00 C ATOM 0 HA PRO A 89 -6.610 13.895 -9.377 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.111 16.349 -10.775 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.755 15.943 -9.197 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -5.756 17.936 -9.798 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -6.366 17.497 -8.215 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.826 16.723 -9.489 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -4.288 16.601 -7.803 1.00 0.00 H new ATOM 1390 N PHE A 90 -6.733 13.878 -11.934 1.00 0.00 N ATOM 1391 CA PHE A 90 -6.775 13.649 -13.372 1.00 0.00 C ATOM 1392 C PHE A 90 -5.678 12.676 -13.855 1.00 0.00 C ATOM 1393 O PHE A 90 -5.350 12.643 -15.042 1.00 0.00 O ATOM 1394 CB PHE A 90 -6.869 15.012 -14.096 1.00 0.00 C ATOM 1395 CG PHE A 90 -7.296 14.950 -15.552 1.00 0.00 C ATOM 1396 CD1 PHE A 90 -8.612 14.576 -15.891 1.00 0.00 C ATOM 1397 CD2 PHE A 90 -6.384 15.290 -16.573 1.00 0.00 C ATOM 1398 CE1 PHE A 90 -9.012 14.536 -17.238 1.00 0.00 C ATOM 1399 CE2 PHE A 90 -6.785 15.243 -17.921 1.00 0.00 C ATOM 1400 CZ PHE A 90 -8.099 14.863 -18.257 1.00 0.00 C ATOM 0 H PHE A 90 -7.594 13.581 -11.475 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.679 13.105 -13.646 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -7.574 15.643 -13.555 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -5.896 15.501 -14.041 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -9.316 14.319 -15.113 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.377 15.587 -16.320 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -10.023 14.253 -17.491 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.083 15.499 -18.701 1.00 0.00 H new ATOM 0 HZ PHE A 90 -8.404 14.823 -19.292 1.00 0.00 H new ATOM 1410 N SER A 91 -5.155 11.823 -12.966 1.00 0.00 N ATOM 1411 CA SER A 91 -4.317 10.673 -13.298 1.00 0.00 C ATOM 1412 C SER A 91 -4.948 9.363 -12.815 1.00 0.00 C ATOM 1413 O SER A 91 -5.823 9.340 -11.940 1.00 0.00 O ATOM 1414 CB SER A 91 -2.916 10.839 -12.699 1.00 0.00 C ATOM 1415 OG SER A 91 -2.121 11.680 -13.505 1.00 0.00 O ATOM 0 H SER A 91 -5.311 11.921 -11.963 1.00 0.00 H new ATOM 0 HA SER A 91 -4.234 10.626 -14.384 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.992 11.257 -11.695 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.439 9.864 -12.603 1.00 0.00 H new ATOM 0 HG SER A 91 -1.838 12.460 -12.984 1.00 0.00 H new ATOM 1421 N HIS A 92 -4.446 8.271 -13.388 1.00 0.00 N ATOM 1422 CA HIS A 92 -4.661 6.891 -12.987 1.00 0.00 C ATOM 1423 C HIS A 92 -3.586 6.550 -11.941 1.00 0.00 C ATOM 1424 O HIS A 92 -2.467 7.069 -12.005 1.00 0.00 O ATOM 1425 CB HIS A 92 -4.518 6.018 -14.258 1.00 0.00 C ATOM 1426 CG HIS A 92 -5.522 4.909 -14.464 1.00 0.00 C ATOM 1427 ND1 HIS A 92 -5.244 3.642 -14.935 1.00 0.00 N ATOM 1428 CD2 HIS A 92 -6.878 4.995 -14.295 1.00 0.00 C ATOM 1429 CE1 HIS A 92 -6.406 2.972 -15.009 1.00 0.00 C ATOM 1430 NE2 HIS A 92 -7.428 3.743 -14.597 1.00 0.00 N ATOM 0 H HIS A 92 -3.835 8.337 -14.202 1.00 0.00 H new ATOM 0 HA HIS A 92 -5.645 6.719 -12.550 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.564 6.677 -15.125 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.523 5.572 -14.249 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -7.426 5.872 -13.984 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -6.506 1.953 -15.353 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -8.408 3.470 -14.520 1.00 0.00 H new ATOM 1438 N TYR A 93 -3.880 5.640 -11.016 1.00 0.00 N ATOM 1439 CA TYR A 93 -2.909 5.081 -10.076 1.00 0.00 C ATOM 1440 C TYR A 93 -3.129 3.573 -9.962 1.00 0.00 C ATOM 1441 O TYR A 93 -4.225 3.072 -10.205 1.00 0.00 O ATOM 1442 CB TYR A 93 -3.046 5.766 -8.708 1.00 0.00 C ATOM 1443 CG TYR A 93 -2.447 7.162 -8.643 1.00 0.00 C ATOM 1444 CD1 TYR A 93 -3.216 8.287 -9.004 1.00 0.00 C ATOM 1445 CD2 TYR A 93 -1.122 7.337 -8.197 1.00 0.00 C ATOM 1446 CE1 TYR A 93 -2.671 9.581 -8.906 1.00 0.00 C ATOM 1447 CE2 TYR A 93 -0.572 8.628 -8.086 1.00 0.00 C ATOM 1448 CZ TYR A 93 -1.352 9.758 -8.428 1.00 0.00 C ATOM 1449 OH TYR A 93 -0.851 11.016 -8.281 1.00 0.00 O ATOM 0 H TYR A 93 -4.820 5.262 -10.895 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.897 5.260 -10.440 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -4.103 5.825 -8.449 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.567 5.142 -7.953 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -4.228 8.155 -9.357 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -0.525 6.475 -7.939 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.260 10.439 -9.196 1.00 0.00 H new ATOM 0 HE2 TYR A 93 0.443 8.756 -7.741 1.00 0.00 H new ATOM 0 HH TYR A 93 0.067 10.965 -7.942 1.00 0.00 H new ATOM 1459 N THR A 94 -2.105 2.829 -9.568 1.00 0.00 N ATOM 1460 CA THR A 94 -2.212 1.397 -9.325 1.00 0.00 C ATOM 1461 C THR A 94 -1.690 1.174 -7.907 1.00 0.00 C ATOM 1462 O THR A 94 -0.691 1.788 -7.536 1.00 0.00 O ATOM 1463 CB THR A 94 -1.432 0.639 -10.414 1.00 0.00 C ATOM 1464 OG1 THR A 94 -1.857 0.987 -11.725 1.00 0.00 O ATOM 1465 CG2 THR A 94 -1.603 -0.869 -10.267 1.00 0.00 C ATOM 0 H THR A 94 -1.170 3.204 -9.407 1.00 0.00 H new ATOM 0 HA THR A 94 -3.231 1.016 -9.385 1.00 0.00 H new ATOM 0 HB THR A 94 -0.389 0.925 -10.279 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.334 0.483 -12.383 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.040 -1.377 -11.050 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.232 -1.184 -9.292 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.659 -1.126 -10.354 1.00 0.00 H new ATOM 1473 N LEU A 95 -2.372 0.370 -7.090 1.00 0.00 N ATOM 1474 CA LEU A 95 -2.004 0.031 -5.716 1.00 0.00 C ATOM 1475 C LEU A 95 -2.273 -1.444 -5.472 1.00 0.00 C ATOM 1476 O LEU A 95 -3.161 -2.024 -6.091 1.00 0.00 O ATOM 1477 CB LEU A 95 -2.690 0.923 -4.662 1.00 0.00 C ATOM 1478 CG LEU A 95 -4.233 0.974 -4.516 1.00 0.00 C ATOM 1479 CD1 LEU A 95 -5.001 0.918 -5.828 1.00 0.00 C ATOM 1480 CD2 LEU A 95 -4.759 -0.141 -3.603 1.00 0.00 C ATOM 0 H LEU A 95 -3.237 -0.084 -7.383 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.938 0.227 -5.600 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.291 0.629 -3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.357 1.944 -4.847 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.414 1.953 -4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.071 0.959 -5.625 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.717 1.765 -6.452 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.766 -0.011 -6.348 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.844 -0.069 -3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.488 -1.111 -4.020 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.319 -0.037 -2.611 1.00 0.00 H new ATOM 1492 N ASN A 96 -1.560 -2.048 -4.531 1.00 0.00 N ATOM 1493 CA ASN A 96 -1.854 -3.389 -4.034 1.00 0.00 C ATOM 1494 C ASN A 96 -1.675 -3.384 -2.526 1.00 0.00 C ATOM 1495 O ASN A 96 -0.955 -2.550 -1.979 1.00 0.00 O ATOM 1496 CB ASN A 96 -0.991 -4.475 -4.705 1.00 0.00 C ATOM 1497 CG ASN A 96 0.478 -4.431 -4.306 1.00 0.00 C ATOM 1498 OD1 ASN A 96 1.294 -3.829 -4.994 1.00 0.00 O ATOM 1499 ND2 ASN A 96 0.849 -5.051 -3.194 1.00 0.00 N ATOM 0 H ASN A 96 -0.751 -1.617 -4.085 1.00 0.00 H new ATOM 0 HA ASN A 96 -2.883 -3.643 -4.288 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -1.397 -5.455 -4.452 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -1.067 -4.368 -5.787 1.00 0.00 H new ATOM 0 HD21 ASN A 96 1.826 -5.031 -2.901 1.00 0.00 H new ATOM 0 HD22 ASN A 96 0.158 -5.548 -2.632 1.00 0.00 H new ATOM 1506 N VAL A 97 -2.323 -4.327 -1.861 1.00 0.00 N ATOM 1507 CA VAL A 97 -2.344 -4.468 -0.417 1.00 0.00 C ATOM 1508 C VAL A 97 -1.545 -5.743 -0.107 1.00 0.00 C ATOM 1509 O VAL A 97 -1.446 -6.642 -0.948 1.00 0.00 O ATOM 1510 CB VAL A 97 -3.822 -4.500 0.044 1.00 0.00 C ATOM 1511 CG1 VAL A 97 -3.970 -4.419 1.569 1.00 0.00 C ATOM 1512 CG2 VAL A 97 -4.659 -3.339 -0.530 1.00 0.00 C ATOM 0 H VAL A 97 -2.872 -5.045 -2.335 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.884 -3.642 0.126 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.187 -5.456 -0.331 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.027 -4.446 1.834 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.459 -5.265 2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.529 -3.489 1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.685 -3.417 -0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -4.233 -2.389 -0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.652 -3.389 -1.619 1.00 0.00 H new ATOM 1522 N ARG A 98 -0.938 -5.835 1.075 1.00 0.00 N ATOM 1523 CA ARG A 98 -0.125 -6.974 1.498 1.00 0.00 C ATOM 1524 C ARG A 98 -0.283 -7.118 3.001 1.00 0.00 C ATOM 1525 O ARG A 98 -0.413 -6.103 3.695 1.00 0.00 O ATOM 1526 CB ARG A 98 1.336 -6.687 1.116 1.00 0.00 C ATOM 1527 CG ARG A 98 2.190 -7.949 0.935 1.00 0.00 C ATOM 1528 CD ARG A 98 3.645 -7.531 0.671 1.00 0.00 C ATOM 1529 NE ARG A 98 4.342 -8.445 -0.253 1.00 0.00 N ATOM 1530 CZ ARG A 98 5.307 -8.071 -1.106 1.00 0.00 C ATOM 1531 NH1 ARG A 98 5.928 -6.915 -0.938 1.00 0.00 N ATOM 1532 NH2 ARG A 98 5.637 -8.820 -2.147 1.00 0.00 N ATOM 0 H ARG A 98 -0.999 -5.102 1.782 1.00 0.00 H new ATOM 0 HA ARG A 98 -0.434 -7.902 1.016 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.353 -6.113 0.190 1.00 0.00 H new ATOM 0 HB3 ARG A 98 1.787 -6.062 1.887 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.133 -8.574 1.826 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.812 -8.544 0.104 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.659 -6.523 0.257 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.186 -7.495 1.617 1.00 0.00 H new ATOM 0 HE ARG A 98 4.072 -9.428 -0.243 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.673 -6.308 -0.159 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.662 -6.631 -1.587 1.00 0.00 H new ATOM 0 HH21 ARG A 98 5.154 -9.703 -2.314 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.374 -8.514 -2.782 1.00 0.00 H new ATOM 1546 N VAL A 99 -0.273 -8.348 3.497 1.00 0.00 N ATOM 1547 CA VAL A 99 -0.302 -8.641 4.917 1.00 0.00 C ATOM 1548 C VAL A 99 1.153 -8.830 5.361 1.00 0.00 C ATOM 1549 O VAL A 99 2.015 -9.265 4.591 1.00 0.00 O ATOM 1550 CB VAL A 99 -1.253 -9.834 5.213 1.00 0.00 C ATOM 1551 CG1 VAL A 99 -2.497 -9.885 4.302 1.00 0.00 C ATOM 1552 CG2 VAL A 99 -0.556 -11.192 5.242 1.00 0.00 C ATOM 0 H VAL A 99 -0.244 -9.182 2.911 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.724 -7.827 5.507 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.601 -9.628 6.225 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.110 -10.745 4.571 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.078 -8.971 4.428 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.183 -9.974 3.262 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.287 -11.972 5.454 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.092 -11.384 4.274 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.210 -11.192 6.018 1.00 0.00 H new ATOM 1562 N VAL A 100 1.447 -8.456 6.602 1.00 0.00 N ATOM 1563 CA VAL A 100 2.746 -8.633 7.240 1.00 0.00 C ATOM 1564 C VAL A 100 2.456 -9.094 8.660 1.00 0.00 C ATOM 1565 O VAL A 100 1.442 -8.689 9.247 1.00 0.00 O ATOM 1566 CB VAL A 100 3.539 -7.313 7.198 1.00 0.00 C ATOM 1567 CG1 VAL A 100 4.827 -7.330 8.032 1.00 0.00 C ATOM 1568 CG2 VAL A 100 3.879 -6.878 5.761 1.00 0.00 C ATOM 0 H VAL A 100 0.764 -8.006 7.212 1.00 0.00 H new ATOM 0 HA VAL A 100 3.365 -9.370 6.728 1.00 0.00 H new ATOM 0 HB VAL A 100 2.862 -6.587 7.648 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.327 -6.365 7.950 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.582 -7.524 9.076 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.489 -8.114 7.663 1.00 0.00 H new ATOM 0 HG21 VAL A 100 4.438 -5.943 5.787 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.483 -7.648 5.281 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.958 -6.735 5.197 1.00 0.00 H new ATOM 1578 N ASN A 101 3.330 -9.932 9.206 1.00 0.00 N ATOM 1579 CA ASN A 101 3.186 -10.492 10.536 1.00 0.00 C ATOM 1580 C ASN A 101 4.494 -10.380 11.319 1.00 0.00 C ATOM 1581 O ASN A 101 5.480 -9.814 10.834 1.00 0.00 O ATOM 1582 CB ASN A 101 2.647 -11.934 10.440 1.00 0.00 C ATOM 1583 CG ASN A 101 3.699 -13.013 10.196 1.00 0.00 C ATOM 1584 OD1 ASN A 101 4.862 -12.764 9.902 1.00 0.00 O ATOM 1585 ND2 ASN A 101 3.292 -14.253 10.321 1.00 0.00 N ATOM 0 H ASN A 101 4.173 -10.244 8.724 1.00 0.00 H new ATOM 0 HA ASN A 101 2.453 -9.916 11.101 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.119 -12.168 11.364 1.00 0.00 H new ATOM 0 HB3 ASN A 101 1.914 -11.977 9.634 1.00 0.00 H new ATOM 0 HD21 ASN A 101 3.946 -15.022 10.173 1.00 0.00 H new ATOM 0 HD22 ASN A 101 2.321 -14.449 10.566 1.00 0.00 H new ATOM 1592 N GLY A 102 4.502 -10.895 12.549 1.00 0.00 N ATOM 1593 CA GLY A 102 5.672 -10.963 13.414 1.00 0.00 C ATOM 1594 C GLY A 102 6.649 -12.051 12.968 1.00 0.00 C ATOM 1595 O GLY A 102 7.049 -12.890 13.777 1.00 0.00 O ATOM 0 H GLY A 102 3.666 -11.288 12.981 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.179 -9.998 13.415 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.355 -11.158 14.439 1.00 0.00 H new ATOM 1599 N LYS A 103 7.009 -12.060 11.685 1.00 0.00 N ATOM 1600 CA LYS A 103 8.119 -12.783 11.091 1.00 0.00 C ATOM 1601 C LYS A 103 8.475 -12.087 9.778 1.00 0.00 C ATOM 1602 O LYS A 103 9.645 -11.750 9.598 1.00 0.00 O ATOM 1603 CB LYS A 103 7.777 -14.271 10.867 1.00 0.00 C ATOM 1604 CG LYS A 103 8.992 -15.078 10.374 1.00 0.00 C ATOM 1605 CD LYS A 103 10.001 -15.389 11.481 1.00 0.00 C ATOM 1606 CE LYS A 103 11.281 -15.979 10.882 1.00 0.00 C ATOM 1607 NZ LYS A 103 12.183 -16.538 11.909 1.00 0.00 N ATOM 0 H LYS A 103 6.492 -11.522 10.989 1.00 0.00 H new ATOM 0 HA LYS A 103 8.974 -12.771 11.767 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.410 -14.702 11.798 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.970 -14.351 10.139 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.644 -16.013 9.935 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.492 -14.521 9.582 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.236 -14.480 12.035 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.566 -16.092 12.192 1.00 0.00 H new ATOM 0 HE2 LYS A 103 11.018 -16.761 10.170 1.00 0.00 H new ATOM 0 HE3 LYS A 103 11.807 -15.205 10.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 13.033 -16.924 11.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 12.458 -15.788 12.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 11.693 -17.296 12.425 1.00 0.00 H new ATOM 1621 N GLY A 104 7.502 -11.873 8.883 1.00 0.00 N ATOM 1622 CA GLY A 104 7.751 -11.381 7.532 1.00 0.00 C ATOM 1623 C GLY A 104 6.472 -11.015 6.776 1.00 0.00 C ATOM 1624 O GLY A 104 5.383 -10.957 7.357 1.00 0.00 O ATOM 0 H GLY A 104 6.516 -12.039 9.082 1.00 0.00 H new ATOM 0 HA2 GLY A 104 8.397 -10.505 7.585 1.00 0.00 H new ATOM 0 HA3 GLY A 104 8.292 -12.142 6.970 1.00 0.00 H new ATOM 1628 N GLU A 105 6.610 -10.714 5.481 1.00 0.00 N ATOM 1629 CA GLU A 105 5.504 -10.321 4.603 1.00 0.00 C ATOM 1630 C GLU A 105 4.961 -11.491 3.772 1.00 0.00 C ATOM 1631 O GLU A 105 5.629 -12.515 3.607 1.00 0.00 O ATOM 1632 CB GLU A 105 5.913 -9.125 3.721 1.00 0.00 C ATOM 1633 CG GLU A 105 6.897 -9.428 2.593 1.00 0.00 C ATOM 1634 CD GLU A 105 7.301 -8.187 1.786 1.00 0.00 C ATOM 1635 OE1 GLU A 105 6.557 -7.182 1.750 1.00 0.00 O ATOM 1636 OE2 GLU A 105 8.362 -8.214 1.114 1.00 0.00 O ATOM 0 H GLU A 105 7.512 -10.737 5.005 1.00 0.00 H new ATOM 0 HA GLU A 105 4.679 -10.005 5.241 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.011 -8.697 3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.351 -8.360 4.362 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.792 -9.885 3.015 1.00 0.00 H new ATOM 0 HG3 GLU A 105 6.452 -10.161 1.920 1.00 0.00 H new ATOM 1643 N GLY A 106 3.743 -11.342 3.240 1.00 0.00 N ATOM 1644 CA GLY A 106 3.049 -12.354 2.444 1.00 0.00 C ATOM 1645 C GLY A 106 2.744 -11.901 1.010 1.00 0.00 C ATOM 1646 O GLY A 106 3.246 -10.870 0.558 1.00 0.00 O ATOM 0 H GLY A 106 3.199 -10.487 3.356 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.657 -13.258 2.410 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.115 -12.617 2.940 1.00 0.00 H new ATOM 1650 N PRO A 107 1.943 -12.683 0.269 1.00 0.00 N ATOM 1651 CA PRO A 107 1.615 -12.428 -1.134 1.00 0.00 C ATOM 1652 C PRO A 107 0.722 -11.205 -1.281 1.00 0.00 C ATOM 1653 O PRO A 107 -0.182 -10.968 -0.481 1.00 0.00 O ATOM 1654 CB PRO A 107 0.906 -13.700 -1.612 1.00 0.00 C ATOM 1655 CG PRO A 107 0.313 -14.291 -0.340 1.00 0.00 C ATOM 1656 CD PRO A 107 1.246 -13.855 0.779 1.00 0.00 C ATOM 0 HA PRO A 107 2.504 -12.212 -1.727 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.132 -13.474 -2.346 1.00 0.00 H new ATOM 0 HB3 PRO A 107 1.603 -14.391 -2.086 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -0.700 -13.926 -0.172 1.00 0.00 H new ATOM 0 HG3 PRO A 107 0.254 -15.378 -0.402 1.00 0.00 H new ATOM 0 HD2 PRO A 107 0.688 -13.617 1.685 1.00 0.00 H new ATOM 0 HD3 PRO A 107 1.948 -14.648 1.036 1.00 0.00 H new ATOM 1664 N ALA A 108 0.970 -10.422 -2.319 1.00 0.00 N ATOM 1665 CA ALA A 108 0.198 -9.224 -2.585 1.00 0.00 C ATOM 1666 C ALA A 108 -1.203 -9.565 -3.094 1.00 0.00 C ATOM 1667 O ALA A 108 -1.405 -10.603 -3.733 1.00 0.00 O ATOM 1668 CB ALA A 108 0.969 -8.420 -3.618 1.00 0.00 C ATOM 0 H ALA A 108 1.710 -10.600 -2.998 1.00 0.00 H new ATOM 0 HA ALA A 108 0.061 -8.649 -1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.423 -7.506 -3.849 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.952 -8.165 -3.221 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.087 -9.012 -4.526 1.00 0.00 H new ATOM 1674 N SER A 109 -2.159 -8.659 -2.870 1.00 0.00 N ATOM 1675 CA SER A 109 -3.447 -8.674 -3.551 1.00 0.00 C ATOM 1676 C SER A 109 -3.228 -8.534 -5.065 1.00 0.00 C ATOM 1677 O SER A 109 -2.136 -8.130 -5.481 1.00 0.00 O ATOM 1678 CB SER A 109 -4.308 -7.538 -2.975 1.00 0.00 C ATOM 1679 OG SER A 109 -3.875 -6.248 -3.385 1.00 0.00 O ATOM 0 H SER A 109 -2.056 -7.892 -2.206 1.00 0.00 H new ATOM 0 HA SER A 109 -3.970 -9.617 -3.390 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.343 -7.682 -3.284 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.289 -7.592 -1.887 1.00 0.00 H new ATOM 0 HG SER A 109 -4.098 -6.113 -4.330 1.00 0.00 H new ATOM 1685 N PRO A 110 -4.258 -8.725 -5.904 1.00 0.00 N ATOM 1686 CA PRO A 110 -4.243 -8.132 -7.232 1.00 0.00 C ATOM 1687 C PRO A 110 -4.006 -6.627 -7.093 1.00 0.00 C ATOM 1688 O PRO A 110 -4.430 -6.008 -6.104 1.00 0.00 O ATOM 1689 CB PRO A 110 -5.595 -8.466 -7.866 1.00 0.00 C ATOM 1690 CG PRO A 110 -6.493 -8.761 -6.668 1.00 0.00 C ATOM 1691 CD PRO A 110 -5.543 -9.345 -5.630 1.00 0.00 C ATOM 0 HA PRO A 110 -3.446 -8.518 -7.868 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.977 -7.634 -8.457 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.523 -9.325 -8.534 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -6.978 -7.857 -6.301 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -7.284 -9.465 -6.926 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -5.880 -9.123 -4.618 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.484 -10.430 -5.716 1.00 0.00 H new ATOM 1699 N ASP A 111 -3.294 -6.057 -8.060 1.00 0.00 N ATOM 1700 CA ASP A 111 -3.013 -4.633 -8.130 1.00 0.00 C ATOM 1701 C ASP A 111 -4.253 -3.940 -8.686 1.00 0.00 C ATOM 1702 O ASP A 111 -4.630 -4.088 -9.848 1.00 0.00 O ATOM 1703 CB ASP A 111 -1.707 -4.287 -8.882 1.00 0.00 C ATOM 1704 CG ASP A 111 -1.233 -5.250 -9.960 1.00 0.00 C ATOM 1705 OD1 ASP A 111 -2.010 -5.623 -10.860 1.00 0.00 O ATOM 1706 OD2 ASP A 111 -0.041 -5.663 -9.912 1.00 0.00 O ATOM 0 H ASP A 111 -2.889 -6.586 -8.832 1.00 0.00 H new ATOM 0 HA ASP A 111 -2.811 -4.256 -7.127 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -1.835 -3.307 -9.341 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -0.911 -4.192 -8.144 1.00 0.00 H new ATOM 1711 N ARG A 112 -4.980 -3.283 -7.787 1.00 0.00 N ATOM 1712 CA ARG A 112 -6.217 -2.563 -8.042 1.00 0.00 C ATOM 1713 C ARG A 112 -5.880 -1.189 -8.613 1.00 0.00 C ATOM 1714 O ARG A 112 -4.723 -0.762 -8.568 1.00 0.00 O ATOM 1715 CB ARG A 112 -6.949 -2.449 -6.695 1.00 0.00 C ATOM 1716 CG ARG A 112 -8.472 -2.334 -6.752 1.00 0.00 C ATOM 1717 CD ARG A 112 -9.093 -3.496 -7.523 1.00 0.00 C ATOM 1718 NE ARG A 112 -10.526 -3.629 -7.256 1.00 0.00 N ATOM 1719 CZ ARG A 112 -11.404 -4.374 -7.930 1.00 0.00 C ATOM 1720 NH1 ARG A 112 -11.035 -5.056 -9.009 1.00 0.00 N ATOM 1721 NH2 ARG A 112 -12.656 -4.416 -7.506 1.00 0.00 N ATOM 0 H ARG A 112 -4.703 -3.238 -6.806 1.00 0.00 H new ATOM 0 HA ARG A 112 -6.853 -3.075 -8.765 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -6.695 -3.323 -6.094 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -6.561 -1.577 -6.169 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -8.874 -2.312 -5.739 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -8.749 -1.392 -7.226 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -8.936 -3.347 -8.591 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -8.586 -4.422 -7.252 1.00 0.00 H new ATOM 0 HE ARG A 112 -10.893 -3.094 -6.469 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -10.069 -5.014 -9.333 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -11.718 -5.621 -9.513 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -12.933 -3.886 -6.680 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -13.345 -4.979 -8.005 1.00 0.00 H new ATOM 1735 N VAL A 113 -6.876 -0.478 -9.134 1.00 0.00 N ATOM 1736 CA VAL A 113 -6.654 0.799 -9.809 1.00 0.00 C ATOM 1737 C VAL A 113 -7.749 1.803 -9.423 1.00 0.00 C ATOM 1738 O VAL A 113 -8.804 1.391 -8.920 1.00 0.00 O ATOM 1739 CB VAL A 113 -6.461 0.563 -11.324 1.00 0.00 C ATOM 1740 CG1 VAL A 113 -5.579 -0.658 -11.636 1.00 0.00 C ATOM 1741 CG2 VAL A 113 -7.773 0.442 -12.091 1.00 0.00 C ATOM 0 H VAL A 113 -7.854 -0.767 -9.101 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.727 1.265 -9.475 1.00 0.00 H new ATOM 0 HB VAL A 113 -5.947 1.461 -11.666 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.482 -0.770 -12.716 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.592 -0.516 -11.196 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.037 -1.554 -11.218 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -7.563 0.277 -13.148 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.347 -0.398 -11.700 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.349 1.360 -11.974 1.00 0.00 H new ATOM 1751 N PHE A 114 -7.512 3.103 -9.626 1.00 0.00 N ATOM 1752 CA PHE A 114 -8.472 4.180 -9.427 1.00 0.00 C ATOM 1753 C PHE A 114 -8.067 5.430 -10.219 1.00 0.00 C ATOM 1754 O PHE A 114 -6.944 5.934 -10.096 1.00 0.00 O ATOM 1755 CB PHE A 114 -8.588 4.509 -7.935 1.00 0.00 C ATOM 1756 CG PHE A 114 -7.319 4.977 -7.231 1.00 0.00 C ATOM 1757 CD1 PHE A 114 -6.411 4.035 -6.716 1.00 0.00 C ATOM 1758 CD2 PHE A 114 -7.076 6.348 -7.027 1.00 0.00 C ATOM 1759 CE1 PHE A 114 -5.332 4.449 -5.916 1.00 0.00 C ATOM 1760 CE2 PHE A 114 -5.995 6.768 -6.225 1.00 0.00 C ATOM 1761 CZ PHE A 114 -5.140 5.811 -5.643 1.00 0.00 C ATOM 0 H PHE A 114 -6.605 3.442 -9.947 1.00 0.00 H new ATOM 0 HA PHE A 114 -9.443 3.848 -9.795 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -9.347 5.282 -7.816 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -8.954 3.621 -7.419 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -6.544 2.986 -6.937 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -7.721 7.082 -7.487 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.649 3.717 -5.511 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -5.823 7.821 -6.057 1.00 0.00 H new ATOM 0 HZ PHE A 114 -4.340 6.125 -4.989 1.00 0.00 H new ATOM 1771 N ASN A 115 -9.007 5.976 -10.988 1.00 0.00 N ATOM 1772 CA ASN A 115 -8.856 7.259 -11.660 1.00 0.00 C ATOM 1773 C ASN A 115 -9.267 8.362 -10.698 1.00 0.00 C ATOM 1774 O ASN A 115 -10.266 8.242 -9.976 1.00 0.00 O ATOM 1775 CB ASN A 115 -9.705 7.352 -12.939 1.00 0.00 C ATOM 1776 CG ASN A 115 -11.177 7.635 -12.654 1.00 0.00 C ATOM 1777 OD1 ASN A 115 -11.882 6.767 -12.145 1.00 0.00 O ATOM 1778 ND2 ASN A 115 -11.667 8.830 -12.928 1.00 0.00 N ATOM 0 H ASN A 115 -9.908 5.530 -11.163 1.00 0.00 H new ATOM 0 HA ASN A 115 -7.812 7.366 -11.956 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -9.306 8.140 -13.578 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -9.620 6.418 -13.494 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -12.642 9.042 -12.717 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -11.070 9.541 -13.351 1.00 0.00 H new ATOM 1785 N THR A 116 -8.513 9.448 -10.710 1.00 0.00 N ATOM 1786 CA THR A 116 -8.826 10.630 -9.927 1.00 0.00 C ATOM 1787 C THR A 116 -9.621 11.597 -10.821 1.00 0.00 C ATOM 1788 O THR A 116 -9.355 11.654 -12.025 1.00 0.00 O ATOM 1789 CB THR A 116 -7.524 11.208 -9.353 1.00 0.00 C ATOM 1790 OG1 THR A 116 -6.582 11.414 -10.383 1.00 0.00 O ATOM 1791 CG2 THR A 116 -6.891 10.265 -8.324 1.00 0.00 C ATOM 0 H THR A 116 -7.662 9.534 -11.266 1.00 0.00 H new ATOM 0 HA THR A 116 -9.456 10.410 -9.066 1.00 0.00 H new ATOM 0 HB THR A 116 -7.784 12.151 -8.871 1.00 0.00 H new ATOM 0 HG1 THR A 116 -6.308 10.549 -10.754 1.00 0.00 H new ATOM 0 HG21 THR A 116 -5.972 10.709 -7.941 1.00 0.00 H new ATOM 0 HG22 THR A 116 -7.587 10.105 -7.501 1.00 0.00 H new ATOM 0 HG23 THR A 116 -6.663 9.310 -8.798 1.00 0.00 H new ATOM 1799 N PRO A 117 -10.589 12.355 -10.271 1.00 0.00 N ATOM 1800 CA PRO A 117 -11.673 12.953 -11.043 1.00 0.00 C ATOM 1801 C PRO A 117 -11.168 13.965 -12.075 1.00 0.00 C ATOM 1802 O PRO A 117 -11.103 13.657 -13.264 1.00 0.00 O ATOM 1803 CB PRO A 117 -12.655 13.525 -10.009 1.00 0.00 C ATOM 1804 CG PRO A 117 -11.818 13.690 -8.743 1.00 0.00 C ATOM 1805 CD PRO A 117 -10.846 12.522 -8.852 1.00 0.00 C ATOM 0 HA PRO A 117 -12.184 12.218 -11.665 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -13.069 14.478 -10.339 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -13.496 12.852 -9.845 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.302 14.650 -8.717 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -12.427 13.631 -7.841 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.924 12.728 -8.309 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -11.273 11.616 -8.422 1.00 0.00 H new ATOM 1813 N GLU A 118 -10.804 15.173 -11.644 1.00 0.00 N ATOM 1814 CA GLU A 118 -10.218 16.176 -12.535 1.00 0.00 C ATOM 1815 C GLU A 118 -9.449 17.239 -11.743 1.00 0.00 C ATOM 1816 O GLU A 118 -8.468 17.797 -12.229 1.00 0.00 O ATOM 1817 CB GLU A 118 -11.326 16.827 -13.377 1.00 0.00 C ATOM 1818 CG GLU A 118 -10.713 17.765 -14.413 1.00 0.00 C ATOM 1819 CD GLU A 118 -11.766 18.254 -15.396 1.00 0.00 C ATOM 1820 OE1 GLU A 118 -12.479 19.228 -15.070 1.00 0.00 O ATOM 1821 OE2 GLU A 118 -11.815 17.706 -16.523 1.00 0.00 O ATOM 0 H GLU A 118 -10.905 15.482 -10.677 1.00 0.00 H new ATOM 0 HA GLU A 118 -9.508 15.681 -13.197 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.915 16.057 -13.875 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -12.007 17.381 -12.731 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -10.255 18.617 -13.911 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -9.919 17.248 -14.952 1.00 0.00 H new ATOM 1828 N GLY A 119 -9.874 17.485 -10.505 1.00 0.00 N ATOM 1829 CA GLY A 119 -9.306 18.467 -9.600 1.00 0.00 C ATOM 1830 C GLY A 119 -9.986 19.808 -9.816 1.00 0.00 C ATOM 1831 O GLY A 119 -9.757 20.453 -10.837 1.00 0.00 O ATOM 0 H GLY A 119 -10.658 16.980 -10.093 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -9.436 18.144 -8.567 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -8.234 18.559 -9.773 1.00 0.00 H new