USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 717 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 28 THR OG1 : rot 142:sc= -2.14! USER MOD Set 1.2: A 31 SER OG : rot -56:sc= 0.243! USER MOD Set 2.1: A 20 MET CE :methyl -164:sc= -0.679 (180deg=0) USER MOD Set 2.2: A 40 LYS NZ :NH3+ 141:sc= -0.366 (180deg=0.185) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.376 K(o=-0.38,f=-1.7!) USER MOD Single : A 33 GLN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00112 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -6.01! C(o=-6!,f=-12!) USER MOD Single : A 45 ASN : amide:sc= 0.858 K(o=0.86,f=-2.1!) USER MOD Single : A 51 TYR OH : rot 74:sc= -2.05 USER MOD Single : A 52 GLN : amide:sc= -3.03 X(o=-3,f=-2.7) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 50:sc= 1.23 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 138:sc= -1.48 (180deg=-2.32) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 85:sc= -1.27 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 TYR OH : rot 30:sc= -0.213 USER MOD Single : A 96 GLN : amide:sc= -0.874 K(o=-0.87,f=-1.6!) USER MOD Single : A 99 ASN : amide:sc= -5.4! C(o=-5.4!,f=-19!) USER MOD Single : A 103 THR OG1 : rot 180:sc=-2.07e-05 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 80:sc= -1 USER MOD Single : A 108 SER OG : rot 180:sc= 0.0975 USER MOD Single : A 111 ASN : amide:sc= -0.0587 K(o=-0.059,f=-0.56) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.873 USER MOD Single : A 114 THR OG1 : rot -129:sc= 0.868 USER MOD ----------------------------------------------------------------- ATOM 150 N ALA A 14 11.619 12.269 -3.278 1.00 0.00 N ATOM 151 CA ALA A 14 10.479 11.369 -3.312 1.00 0.00 C ATOM 152 C ALA A 14 10.687 10.331 -4.416 1.00 0.00 C ATOM 153 O ALA A 14 11.449 10.561 -5.353 1.00 0.00 O ATOM 154 CB ALA A 14 9.195 12.179 -3.507 1.00 0.00 C ATOM 0 HA ALA A 14 10.386 10.832 -2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.339 11.504 -3.533 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.079 12.881 -2.681 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.251 12.729 -4.446 1.00 0.00 H new ATOM 160 N PRO A 15 9.978 9.181 -4.264 1.00 0.00 N ATOM 161 CA PRO A 15 10.077 8.106 -5.237 1.00 0.00 C ATOM 162 C PRO A 15 9.310 8.451 -6.515 1.00 0.00 C ATOM 163 O PRO A 15 8.313 9.169 -6.470 1.00 0.00 O ATOM 164 CB PRO A 15 9.527 6.880 -4.527 1.00 0.00 C ATOM 165 CG PRO A 15 8.714 7.407 -3.355 1.00 0.00 C ATOM 166 CD PRO A 15 9.065 8.874 -3.166 1.00 0.00 C ATOM 0 HA PRO A 15 11.101 7.932 -5.568 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.906 6.286 -5.198 1.00 0.00 H new ATOM 0 HB3 PRO A 15 10.334 6.233 -4.183 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.647 7.292 -3.548 1.00 0.00 H new ATOM 0 HG3 PRO A 15 8.938 6.841 -2.450 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.175 9.502 -3.204 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.537 9.047 -2.199 1.00 0.00 H new ATOM 174 N ASP A 16 9.806 7.923 -7.625 1.00 0.00 N ATOM 175 CA ASP A 16 9.180 8.166 -8.914 1.00 0.00 C ATOM 176 C ASP A 16 8.814 6.828 -9.558 1.00 0.00 C ATOM 177 O ASP A 16 9.259 6.525 -10.664 1.00 0.00 O ATOM 178 CB ASP A 16 10.133 8.901 -9.859 1.00 0.00 C ATOM 179 CG ASP A 16 10.116 10.426 -9.736 1.00 0.00 C ATOM 180 OD1 ASP A 16 8.997 10.977 -9.650 1.00 0.00 O ATOM 181 OD2 ASP A 16 11.223 11.007 -9.730 1.00 0.00 O ATOM 0 H ASP A 16 10.634 7.328 -7.658 1.00 0.00 H new ATOM 0 HA ASP A 16 8.293 8.778 -8.749 1.00 0.00 H new ATOM 0 HB2 ASP A 16 11.148 8.548 -9.675 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.883 8.631 -10.885 1.00 0.00 H new ATOM 186 N GLY A 17 8.006 6.063 -8.839 1.00 0.00 N ATOM 187 CA GLY A 17 7.574 4.764 -9.327 1.00 0.00 C ATOM 188 C GLY A 17 7.009 3.911 -8.190 1.00 0.00 C ATOM 189 O GLY A 17 7.585 3.856 -7.105 1.00 0.00 O ATOM 0 H GLY A 17 7.639 6.318 -7.922 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.816 4.895 -10.099 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.415 4.248 -9.790 1.00 0.00 H new ATOM 193 N PRO A 18 5.858 3.249 -8.485 1.00 0.00 N ATOM 194 CA PRO A 18 5.209 2.401 -7.500 1.00 0.00 C ATOM 195 C PRO A 18 5.965 1.082 -7.329 1.00 0.00 C ATOM 196 O PRO A 18 6.920 0.811 -8.054 1.00 0.00 O ATOM 197 CB PRO A 18 3.792 2.211 -8.018 1.00 0.00 C ATOM 198 CG PRO A 18 3.836 2.569 -9.494 1.00 0.00 C ATOM 199 CD PRO A 18 5.148 3.290 -9.760 1.00 0.00 C ATOM 0 HA PRO A 18 5.199 2.844 -6.504 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.459 1.183 -7.875 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.091 2.851 -7.482 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.763 1.671 -10.107 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.991 3.205 -9.758 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.718 2.797 -10.547 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.977 4.316 -10.085 1.00 0.00 H new ATOM 207 N PRO A 19 5.496 0.275 -6.339 1.00 0.00 N ATOM 208 CA PRO A 19 6.117 -1.009 -6.063 1.00 0.00 C ATOM 209 C PRO A 19 5.741 -2.040 -7.129 1.00 0.00 C ATOM 210 O PRO A 19 4.847 -1.803 -7.939 1.00 0.00 O ATOM 211 CB PRO A 19 5.634 -1.389 -4.673 1.00 0.00 C ATOM 212 CG PRO A 19 4.402 -0.537 -4.412 1.00 0.00 C ATOM 213 CD PRO A 19 4.366 0.564 -5.460 1.00 0.00 C ATOM 0 HA PRO A 19 7.206 -0.965 -6.094 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.393 -2.451 -4.620 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.405 -1.200 -3.926 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.499 -1.145 -4.466 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.439 -0.109 -3.410 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.425 0.557 -6.010 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.461 1.549 -5.003 1.00 0.00 H new ATOM 221 N MET A 20 6.443 -3.163 -7.093 1.00 0.00 N ATOM 222 CA MET A 20 6.194 -4.232 -8.046 1.00 0.00 C ATOM 223 C MET A 20 5.518 -5.425 -7.368 1.00 0.00 C ATOM 224 O MET A 20 5.589 -5.573 -6.149 1.00 0.00 O ATOM 225 CB MET A 20 7.518 -4.680 -8.668 1.00 0.00 C ATOM 226 CG MET A 20 8.325 -3.479 -9.164 1.00 0.00 C ATOM 227 SD MET A 20 8.881 -3.766 -10.836 1.00 0.00 S ATOM 228 CE MET A 20 7.535 -3.021 -11.742 1.00 0.00 C ATOM 0 H MET A 20 7.184 -3.356 -6.419 1.00 0.00 H new ATOM 0 HA MET A 20 5.528 -3.854 -8.821 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.100 -5.235 -7.932 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.323 -5.359 -9.498 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.713 -2.578 -9.125 1.00 0.00 H new ATOM 0 HG3 MET A 20 9.181 -3.311 -8.511 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.568 -3.352 -12.780 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.587 -3.320 -11.296 1.00 0.00 H new ATOM 0 HE3 MET A 20 7.627 -1.936 -11.704 1.00 0.00 H new ATOM 238 N ASP A 21 4.879 -6.247 -8.187 1.00 0.00 N ATOM 239 CA ASP A 21 4.191 -7.422 -7.682 1.00 0.00 C ATOM 240 C ASP A 21 3.090 -6.987 -6.712 1.00 0.00 C ATOM 241 O ASP A 21 2.972 -7.532 -5.616 1.00 0.00 O ATOM 242 CB ASP A 21 5.152 -8.340 -6.924 1.00 0.00 C ATOM 243 CG ASP A 21 4.543 -9.658 -6.441 1.00 0.00 C ATOM 244 OD1 ASP A 21 3.529 -10.069 -7.044 1.00 0.00 O ATOM 245 OD2 ASP A 21 5.106 -10.224 -5.480 1.00 0.00 O ATOM 0 H ASP A 21 4.823 -6.122 -9.198 1.00 0.00 H new ATOM 0 HA ASP A 21 3.774 -7.960 -8.534 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.001 -8.565 -7.570 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.542 -7.800 -6.061 1.00 0.00 H new ATOM 250 N VAL A 22 2.313 -6.007 -7.151 1.00 0.00 N ATOM 251 CA VAL A 22 1.226 -5.492 -6.336 1.00 0.00 C ATOM 252 C VAL A 22 -0.024 -6.345 -6.563 1.00 0.00 C ATOM 253 O VAL A 22 -0.669 -6.241 -7.605 1.00 0.00 O ATOM 254 CB VAL A 22 1.002 -4.009 -6.639 1.00 0.00 C ATOM 255 CG1 VAL A 22 0.115 -3.360 -5.575 1.00 0.00 C ATOM 256 CG2 VAL A 22 2.334 -3.269 -6.770 1.00 0.00 C ATOM 0 H VAL A 22 2.415 -5.556 -8.060 1.00 0.00 H new ATOM 0 HA VAL A 22 1.477 -5.559 -5.277 1.00 0.00 H new ATOM 0 HB VAL A 22 0.484 -3.937 -7.595 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.028 -2.306 -5.814 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.852 -3.862 -5.552 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.593 -3.449 -4.599 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.146 -2.217 -6.985 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.891 -3.355 -5.837 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.915 -3.707 -7.581 1.00 0.00 H new ATOM 266 N THR A 23 -0.329 -7.167 -5.570 1.00 0.00 N ATOM 267 CA THR A 23 -1.490 -8.037 -5.648 1.00 0.00 C ATOM 268 C THR A 23 -2.066 -8.284 -4.252 1.00 0.00 C ATOM 269 O THR A 23 -1.343 -8.223 -3.258 1.00 0.00 O ATOM 270 CB THR A 23 -1.072 -9.320 -6.369 1.00 0.00 C ATOM 271 OG1 THR A 23 -2.306 -9.907 -6.775 1.00 0.00 O ATOM 272 CG2 THR A 23 -0.462 -10.353 -5.419 1.00 0.00 C ATOM 0 H THR A 23 0.208 -7.249 -4.707 1.00 0.00 H new ATOM 0 HA THR A 23 -2.294 -7.573 -6.220 1.00 0.00 H new ATOM 0 HB THR A 23 -0.354 -9.079 -7.153 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.129 -10.744 -7.253 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.183 -11.244 -5.981 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.424 -9.932 -4.943 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.192 -10.620 -4.655 1.00 0.00 H new ATOM 280 N LEU A 24 -3.361 -8.559 -4.221 1.00 0.00 N ATOM 281 CA LEU A 24 -4.042 -8.816 -2.964 1.00 0.00 C ATOM 282 C LEU A 24 -4.346 -10.311 -2.849 1.00 0.00 C ATOM 283 O LEU A 24 -4.383 -11.019 -3.854 1.00 0.00 O ATOM 284 CB LEU A 24 -5.280 -7.925 -2.833 1.00 0.00 C ATOM 285 CG LEU A 24 -5.117 -6.478 -3.301 1.00 0.00 C ATOM 286 CD1 LEU A 24 -3.880 -5.834 -2.672 1.00 0.00 C ATOM 287 CD2 LEU A 24 -5.092 -6.396 -4.829 1.00 0.00 C ATOM 0 H LEU A 24 -3.957 -8.610 -5.047 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.399 -8.556 -2.123 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.092 -8.380 -3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.587 -7.915 -1.787 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.983 -5.910 -2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.788 -4.806 -3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.978 -5.841 -1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.991 -6.396 -2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.975 -5.357 -5.136 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.257 -6.983 -5.211 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.026 -6.790 -5.230 1.00 0.00 H new ATOM 299 N GLN A 25 -4.556 -10.747 -1.616 1.00 0.00 N ATOM 300 CA GLN A 25 -4.855 -12.145 -1.357 1.00 0.00 C ATOM 301 C GLN A 25 -5.724 -12.279 -0.105 1.00 0.00 C ATOM 302 O GLN A 25 -5.289 -11.946 0.996 1.00 0.00 O ATOM 303 CB GLN A 25 -3.570 -12.965 -1.223 1.00 0.00 C ATOM 304 CG GLN A 25 -3.672 -14.275 -2.006 1.00 0.00 C ATOM 305 CD GLN A 25 -2.356 -14.590 -2.721 1.00 0.00 C ATOM 306 OE1 GLN A 25 -2.017 -14.008 -3.738 1.00 0.00 O ATOM 307 NE2 GLN A 25 -1.635 -15.541 -2.133 1.00 0.00 N ATOM 0 H GLN A 25 -4.525 -10.157 -0.785 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.412 -12.540 -2.206 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.724 -12.384 -1.588 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.379 -13.179 -0.171 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.926 -15.090 -1.328 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.479 -14.205 -2.736 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.977 -15.988 -1.283 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.740 -15.823 -2.533 1.00 0.00 H new ATOM 316 N PRO A 26 -6.970 -12.781 -0.321 1.00 0.00 N ATOM 317 CA PRO A 26 -7.904 -12.963 0.776 1.00 0.00 C ATOM 318 C PRO A 26 -7.524 -14.179 1.624 1.00 0.00 C ATOM 319 O PRO A 26 -7.656 -15.317 1.178 1.00 0.00 O ATOM 320 CB PRO A 26 -9.266 -13.103 0.115 1.00 0.00 C ATOM 321 CG PRO A 26 -8.989 -13.459 -1.337 1.00 0.00 C ATOM 322 CD PRO A 26 -7.519 -13.187 -1.612 1.00 0.00 C ATOM 0 HA PRO A 26 -7.899 -12.127 1.475 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -9.858 -13.878 0.601 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -9.833 -12.175 0.188 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -9.225 -14.506 -1.525 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -9.618 -12.867 -2.002 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.017 -14.075 -1.994 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.394 -12.404 -2.360 1.00 0.00 H new ATOM 330 N VAL A 27 -7.059 -13.896 2.832 1.00 0.00 N ATOM 331 CA VAL A 27 -6.659 -14.951 3.747 1.00 0.00 C ATOM 332 C VAL A 27 -7.750 -15.149 4.800 1.00 0.00 C ATOM 333 O VAL A 27 -8.036 -16.277 5.200 1.00 0.00 O ATOM 334 CB VAL A 27 -5.292 -14.627 4.354 1.00 0.00 C ATOM 335 CG1 VAL A 27 -4.165 -14.941 3.368 1.00 0.00 C ATOM 336 CG2 VAL A 27 -5.229 -13.169 4.814 1.00 0.00 C ATOM 0 H VAL A 27 -6.950 -12.950 3.198 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.547 -15.896 3.215 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.155 -15.261 5.230 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.205 -14.702 3.825 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.191 -16.000 3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.296 -14.345 2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.247 -12.964 5.241 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.398 -12.511 3.962 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.997 -12.992 5.567 1.00 0.00 H new ATOM 346 N THR A 28 -8.330 -14.034 5.221 1.00 0.00 N ATOM 347 CA THR A 28 -9.384 -14.071 6.221 1.00 0.00 C ATOM 348 C THR A 28 -10.724 -13.676 5.597 1.00 0.00 C ATOM 349 O THR A 28 -10.832 -13.546 4.379 1.00 0.00 O ATOM 350 CB THR A 28 -8.965 -13.168 7.382 1.00 0.00 C ATOM 351 OG1 THR A 28 -9.189 -11.848 6.895 1.00 0.00 O ATOM 352 CG2 THR A 28 -7.459 -13.216 7.648 1.00 0.00 C ATOM 0 H THR A 28 -8.090 -13.100 4.888 1.00 0.00 H new ATOM 0 HA THR A 28 -9.526 -15.079 6.609 1.00 0.00 H new ATOM 0 HB THR A 28 -9.502 -13.464 8.283 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.534 -11.286 7.620 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.216 -12.557 8.482 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.165 -14.236 7.894 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.922 -12.889 6.758 1.00 0.00 H new ATOM 360 N SER A 29 -11.712 -13.496 6.462 1.00 0.00 N ATOM 361 CA SER A 29 -13.041 -13.119 6.011 1.00 0.00 C ATOM 362 C SER A 29 -13.157 -11.595 5.941 1.00 0.00 C ATOM 363 O SER A 29 -13.808 -11.059 5.045 1.00 0.00 O ATOM 364 CB SER A 29 -14.119 -13.691 6.934 1.00 0.00 C ATOM 365 OG SER A 29 -13.823 -15.025 7.338 1.00 0.00 O ATOM 0 H SER A 29 -11.619 -13.604 7.472 1.00 0.00 H new ATOM 0 HA SER A 29 -13.195 -13.535 5.015 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.214 -13.058 7.816 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.081 -13.672 6.423 1.00 0.00 H new ATOM 0 HG SER A 29 -14.534 -15.354 7.927 1.00 0.00 H new ATOM 371 N GLN A 30 -12.516 -10.940 6.897 1.00 0.00 N ATOM 372 CA GLN A 30 -12.539 -9.488 6.955 1.00 0.00 C ATOM 373 C GLN A 30 -11.113 -8.934 6.935 1.00 0.00 C ATOM 374 O GLN A 30 -10.778 -8.044 7.716 1.00 0.00 O ATOM 375 CB GLN A 30 -13.299 -9.000 8.190 1.00 0.00 C ATOM 376 CG GLN A 30 -14.792 -9.317 8.075 1.00 0.00 C ATOM 377 CD GLN A 30 -15.366 -9.746 9.426 1.00 0.00 C ATOM 378 OE1 GLN A 30 -14.685 -10.301 10.272 1.00 0.00 O ATOM 379 NE2 GLN A 30 -16.656 -9.459 9.581 1.00 0.00 N ATOM 0 H GLN A 30 -11.977 -11.388 7.638 1.00 0.00 H new ATOM 0 HA GLN A 30 -13.065 -9.117 6.075 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -12.891 -9.473 9.083 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -13.160 -7.925 8.306 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -15.327 -8.440 7.710 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -14.944 -10.110 7.343 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -17.168 -8.993 8.832 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -17.133 -9.705 10.449 1.00 0.00 H new ATOM 388 N SER A 31 -10.311 -9.482 6.034 1.00 0.00 N ATOM 389 CA SER A 31 -8.929 -9.054 5.902 1.00 0.00 C ATOM 390 C SER A 31 -8.330 -9.610 4.609 1.00 0.00 C ATOM 391 O SER A 31 -8.744 -10.666 4.133 1.00 0.00 O ATOM 392 CB SER A 31 -8.097 -9.498 7.107 1.00 0.00 C ATOM 393 OG SER A 31 -8.915 -9.844 8.222 1.00 0.00 O ATOM 0 H SER A 31 -10.592 -10.219 5.388 1.00 0.00 H new ATOM 0 HA SER A 31 -8.911 -7.965 5.864 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.483 -10.354 6.828 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.415 -8.697 7.392 1.00 0.00 H new ATOM 0 HG SER A 31 -9.496 -9.088 8.449 1.00 0.00 H new ATOM 399 N ILE A 32 -7.364 -8.875 4.078 1.00 0.00 N ATOM 400 CA ILE A 32 -6.703 -9.282 2.849 1.00 0.00 C ATOM 401 C ILE A 32 -5.193 -9.093 3.001 1.00 0.00 C ATOM 402 O ILE A 32 -4.744 -8.154 3.657 1.00 0.00 O ATOM 403 CB ILE A 32 -7.299 -8.542 1.650 1.00 0.00 C ATOM 404 CG1 ILE A 32 -8.763 -8.931 1.437 1.00 0.00 C ATOM 405 CG2 ILE A 32 -6.457 -8.768 0.393 1.00 0.00 C ATOM 406 CD1 ILE A 32 -9.383 -8.128 0.292 1.00 0.00 C ATOM 0 H ILE A 32 -7.023 -8.000 4.476 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.874 -10.341 2.657 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.278 -7.473 1.864 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.832 -9.996 1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.326 -8.758 2.354 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.902 -8.231 -0.445 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.445 -8.401 0.562 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.423 -9.833 0.164 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.424 -8.424 0.162 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.335 -7.064 0.526 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -8.833 -8.322 -0.629 1.00 0.00 H new ATOM 418 N GLN A 33 -4.450 -9.999 2.383 1.00 0.00 N ATOM 419 CA GLN A 33 -2.999 -9.944 2.440 1.00 0.00 C ATOM 420 C GLN A 33 -2.444 -9.256 1.192 1.00 0.00 C ATOM 421 O GLN A 33 -2.702 -9.693 0.071 1.00 0.00 O ATOM 422 CB GLN A 33 -2.403 -11.343 2.606 1.00 0.00 C ATOM 423 CG GLN A 33 -0.913 -11.349 2.259 1.00 0.00 C ATOM 424 CD GLN A 33 -0.216 -12.573 2.856 1.00 0.00 C ATOM 425 OE1 GLN A 33 0.761 -12.277 3.708 1.00 0.00 O flip ATOM 426 NE2 GLN A 33 -0.543 -13.711 2.562 1.00 0.00 N flip ATOM 0 H GLN A 33 -4.826 -10.776 1.840 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.712 -9.357 3.312 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.542 -11.682 3.633 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.933 -12.046 1.963 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.788 -11.347 1.176 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.445 -10.440 2.636 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.303 -13.868 1.900 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.057 -14.505 2.978 1.00 0.00 H new ATOM 435 N VAL A 34 -1.692 -8.191 1.426 1.00 0.00 N ATOM 436 CA VAL A 34 -1.098 -7.438 0.334 1.00 0.00 C ATOM 437 C VAL A 34 0.412 -7.681 0.315 1.00 0.00 C ATOM 438 O VAL A 34 1.097 -7.433 1.307 1.00 0.00 O ATOM 439 CB VAL A 34 -1.464 -5.958 0.459 1.00 0.00 C ATOM 440 CG1 VAL A 34 -0.939 -5.161 -0.736 1.00 0.00 C ATOM 441 CG2 VAL A 34 -2.975 -5.778 0.617 1.00 0.00 C ATOM 0 H VAL A 34 -1.480 -7.831 2.357 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.494 -7.777 -0.623 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.985 -5.569 1.358 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.213 -4.112 -0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.146 -5.250 -0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.376 -5.552 -1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.208 -4.717 0.704 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.484 -6.191 -0.254 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.312 -6.298 1.514 1.00 0.00 H new ATOM 451 N THR A 35 0.888 -8.163 -0.824 1.00 0.00 N ATOM 452 CA THR A 35 2.305 -8.442 -0.985 1.00 0.00 C ATOM 453 C THR A 35 2.852 -7.726 -2.221 1.00 0.00 C ATOM 454 O THR A 35 2.226 -7.740 -3.279 1.00 0.00 O ATOM 455 CB THR A 35 2.485 -9.960 -1.032 1.00 0.00 C ATOM 456 OG1 THR A 35 1.288 -10.433 -1.643 1.00 0.00 O ATOM 457 CG2 THR A 35 2.470 -10.596 0.359 1.00 0.00 C ATOM 0 H THR A 35 0.317 -8.367 -1.644 1.00 0.00 H new ATOM 0 HA THR A 35 2.882 -8.058 -0.144 1.00 0.00 H new ATOM 0 HB THR A 35 3.426 -10.198 -1.529 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.321 -11.410 -1.715 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.602 -11.674 0.268 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.281 -10.181 0.958 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.517 -10.387 0.845 1.00 0.00 H new ATOM 465 N TRP A 36 4.015 -7.116 -2.046 1.00 0.00 N ATOM 466 CA TRP A 36 4.654 -6.396 -3.134 1.00 0.00 C ATOM 467 C TRP A 36 6.169 -6.484 -2.935 1.00 0.00 C ATOM 468 O TRP A 36 6.636 -6.932 -1.889 1.00 0.00 O ATOM 469 CB TRP A 36 4.145 -4.955 -3.212 1.00 0.00 C ATOM 470 CG TRP A 36 4.569 -4.080 -2.031 1.00 0.00 C ATOM 471 CD1 TRP A 36 5.762 -3.509 -1.814 1.00 0.00 C ATOM 472 CD2 TRP A 36 3.750 -3.698 -0.906 1.00 0.00 C ATOM 473 NE1 TRP A 36 5.771 -2.789 -0.636 1.00 0.00 N ATOM 474 CE2 TRP A 36 4.509 -2.907 -0.067 1.00 0.00 C ATOM 475 CE3 TRP A 36 2.412 -4.008 -0.607 1.00 0.00 C ATOM 476 CZ2 TRP A 36 4.017 -2.363 1.126 1.00 0.00 C ATOM 477 CZ3 TRP A 36 1.935 -3.456 0.588 1.00 0.00 C ATOM 478 CH2 TRP A 36 2.687 -2.659 1.443 1.00 0.00 C ATOM 0 H TRP A 36 4.532 -7.106 -1.167 1.00 0.00 H new ATOM 0 HA TRP A 36 4.402 -6.847 -4.094 1.00 0.00 H new ATOM 0 HB2 TRP A 36 4.507 -4.502 -4.135 1.00 0.00 H new ATOM 0 HB3 TRP A 36 3.057 -4.968 -3.269 1.00 0.00 H new ATOM 0 HD1 TRP A 36 6.610 -3.601 -2.477 1.00 0.00 H new ATOM 0 HE1 TRP A 36 6.559 -2.267 -0.254 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.800 -4.624 -1.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 4.631 -1.748 1.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.912 -3.664 0.865 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.246 -2.270 2.349 1.00 0.00 H new ATOM 489 N LYS A 37 6.894 -6.050 -3.955 1.00 0.00 N ATOM 490 CA LYS A 37 8.346 -6.074 -3.905 1.00 0.00 C ATOM 491 C LYS A 37 8.885 -4.670 -4.182 1.00 0.00 C ATOM 492 O LYS A 37 8.192 -3.839 -4.767 1.00 0.00 O ATOM 493 CB LYS A 37 8.897 -7.142 -4.852 1.00 0.00 C ATOM 494 CG LYS A 37 8.685 -8.545 -4.279 1.00 0.00 C ATOM 495 CD LYS A 37 9.215 -9.615 -5.236 1.00 0.00 C ATOM 496 CE LYS A 37 10.522 -10.216 -4.716 1.00 0.00 C ATOM 497 NZ LYS A 37 11.411 -10.577 -5.842 1.00 0.00 N ATOM 0 H LYS A 37 6.503 -5.680 -4.821 1.00 0.00 H new ATOM 0 HA LYS A 37 8.688 -6.356 -2.909 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.404 -7.063 -5.821 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.960 -6.971 -5.020 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.191 -8.629 -3.317 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.623 -8.710 -4.096 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.471 -10.402 -5.355 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.378 -9.178 -6.221 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.024 -9.501 -4.064 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.309 -11.100 -4.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.293 -10.983 -5.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.936 -11.276 -6.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.629 -9.726 -6.399 1.00 0.00 H new ATOM 511 N ALA A 38 10.117 -4.447 -3.749 1.00 0.00 N ATOM 512 CA ALA A 38 10.758 -3.158 -3.944 1.00 0.00 C ATOM 513 C ALA A 38 10.412 -2.626 -5.336 1.00 0.00 C ATOM 514 O ALA A 38 10.310 -3.396 -6.290 1.00 0.00 O ATOM 515 CB ALA A 38 12.266 -3.299 -3.731 1.00 0.00 C ATOM 0 H ALA A 38 10.689 -5.138 -3.263 1.00 0.00 H new ATOM 0 HA ALA A 38 10.393 -2.434 -3.215 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.746 -2.331 -3.878 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.459 -3.650 -2.717 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.669 -4.016 -4.446 1.00 0.00 H new ATOM 521 N PRO A 39 10.237 -1.280 -5.411 1.00 0.00 N ATOM 522 CA PRO A 39 9.906 -0.637 -6.671 1.00 0.00 C ATOM 523 C PRO A 39 11.129 -0.563 -7.587 1.00 0.00 C ATOM 524 O PRO A 39 12.208 -1.029 -7.227 1.00 0.00 O ATOM 525 CB PRO A 39 9.370 0.732 -6.285 1.00 0.00 C ATOM 526 CG PRO A 39 9.852 0.984 -4.865 1.00 0.00 C ATOM 527 CD PRO A 39 10.350 -0.337 -4.302 1.00 0.00 C ATOM 0 HA PRO A 39 9.165 -1.193 -7.245 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.738 1.501 -6.964 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.281 0.754 -6.338 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.650 1.727 -4.859 1.00 0.00 H new ATOM 0 HG3 PRO A 39 9.043 1.380 -4.251 1.00 0.00 H new ATOM 0 HD2 PRO A 39 11.380 -0.256 -3.955 1.00 0.00 H new ATOM 0 HD3 PRO A 39 9.750 -0.655 -3.449 1.00 0.00 H new ATOM 535 N LYS A 40 10.918 0.026 -8.756 1.00 0.00 N ATOM 536 CA LYS A 40 11.990 0.166 -9.727 1.00 0.00 C ATOM 537 C LYS A 40 13.295 0.488 -8.996 1.00 0.00 C ATOM 538 O LYS A 40 13.287 1.179 -7.979 1.00 0.00 O ATOM 539 CB LYS A 40 11.613 1.194 -10.795 1.00 0.00 C ATOM 540 CG LYS A 40 11.206 0.505 -12.099 1.00 0.00 C ATOM 541 CD LYS A 40 9.771 -0.021 -12.017 1.00 0.00 C ATOM 542 CE LYS A 40 9.271 -0.468 -13.392 1.00 0.00 C ATOM 543 NZ LYS A 40 9.631 -1.881 -13.640 1.00 0.00 N ATOM 0 H LYS A 40 10.021 0.411 -9.052 1.00 0.00 H new ATOM 0 HA LYS A 40 12.147 -0.771 -10.261 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.792 1.813 -10.435 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.457 1.859 -10.979 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.293 1.207 -12.928 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.888 -0.319 -12.307 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.726 -0.858 -11.320 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.117 0.757 -11.624 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.189 -0.347 -13.449 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.704 0.165 -14.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.847 -2.358 -14.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.485 -1.923 -14.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.814 -2.357 -12.734 1.00 0.00 H new ATOM 557 N LYS A 41 14.386 -0.028 -9.544 1.00 0.00 N ATOM 558 CA LYS A 41 15.696 0.196 -8.958 1.00 0.00 C ATOM 559 C LYS A 41 16.076 1.669 -9.116 1.00 0.00 C ATOM 560 O LYS A 41 16.346 2.354 -8.131 1.00 0.00 O ATOM 561 CB LYS A 41 16.722 -0.771 -9.552 1.00 0.00 C ATOM 562 CG LYS A 41 18.144 -0.231 -9.388 1.00 0.00 C ATOM 563 CD LYS A 41 18.594 -0.307 -7.928 1.00 0.00 C ATOM 564 CE LYS A 41 19.985 0.304 -7.750 1.00 0.00 C ATOM 565 NZ LYS A 41 20.285 0.502 -6.314 1.00 0.00 N ATOM 0 H LYS A 41 14.389 -0.601 -10.388 1.00 0.00 H new ATOM 0 HA LYS A 41 15.675 -0.015 -7.889 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.639 -1.741 -9.062 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.509 -0.929 -10.609 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.829 -0.804 -10.014 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.186 0.802 -9.732 1.00 0.00 H new ATOM 0 HD2 LYS A 41 17.879 0.219 -7.296 1.00 0.00 H new ATOM 0 HD3 LYS A 41 18.605 -1.347 -7.601 1.00 0.00 H new ATOM 0 HE2 LYS A 41 20.735 -0.348 -8.198 1.00 0.00 H new ATOM 0 HE3 LYS A 41 20.039 1.258 -8.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.233 0.917 -6.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 19.579 1.142 -5.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 20.254 -0.414 -5.823 1.00 0.00 H new ATOM 579 N GLU A 42 16.084 2.114 -10.364 1.00 0.00 N ATOM 580 CA GLU A 42 16.426 3.494 -10.665 1.00 0.00 C ATOM 581 C GLU A 42 15.197 4.392 -10.509 1.00 0.00 C ATOM 582 O GLU A 42 14.899 5.200 -11.387 1.00 0.00 O ATOM 583 CB GLU A 42 17.022 3.618 -12.069 1.00 0.00 C ATOM 584 CG GLU A 42 15.953 3.389 -13.140 1.00 0.00 C ATOM 585 CD GLU A 42 16.580 2.885 -14.441 1.00 0.00 C ATOM 586 OE1 GLU A 42 17.072 3.745 -15.204 1.00 0.00 O ATOM 587 OE2 GLU A 42 16.553 1.652 -14.643 1.00 0.00 O ATOM 0 H GLU A 42 15.859 1.543 -11.179 1.00 0.00 H new ATOM 0 HA GLU A 42 17.184 3.823 -9.954 1.00 0.00 H new ATOM 0 HB2 GLU A 42 17.462 4.607 -12.195 1.00 0.00 H new ATOM 0 HB3 GLU A 42 17.826 2.893 -12.192 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.222 2.665 -12.780 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.416 4.319 -13.327 1.00 0.00 H new ATOM 594 N LEU A 43 14.517 4.219 -9.386 1.00 0.00 N ATOM 595 CA LEU A 43 13.326 5.004 -9.104 1.00 0.00 C ATOM 596 C LEU A 43 13.218 5.233 -7.595 1.00 0.00 C ATOM 597 O LEU A 43 12.943 6.347 -7.151 1.00 0.00 O ATOM 598 CB LEU A 43 12.091 4.341 -9.716 1.00 0.00 C ATOM 599 CG LEU A 43 11.845 4.622 -11.200 1.00 0.00 C ATOM 600 CD1 LEU A 43 10.536 3.983 -11.669 1.00 0.00 C ATOM 601 CD2 LEU A 43 11.886 6.124 -11.488 1.00 0.00 C ATOM 0 H LEU A 43 14.767 3.547 -8.660 1.00 0.00 H new ATOM 0 HA LEU A 43 13.396 5.986 -9.572 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.177 3.263 -9.580 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.214 4.664 -9.155 1.00 0.00 H new ATOM 0 HG LEU A 43 12.651 4.163 -11.773 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.385 4.198 -12.727 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.584 2.904 -11.521 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.705 4.391 -11.094 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.708 6.296 -12.550 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.115 6.627 -10.905 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.864 6.520 -11.215 1.00 0.00 H new ATOM 613 N GLN A 44 13.439 4.161 -6.848 1.00 0.00 N ATOM 614 CA GLN A 44 13.369 4.232 -5.398 1.00 0.00 C ATOM 615 C GLN A 44 13.837 5.604 -4.911 1.00 0.00 C ATOM 616 O GLN A 44 13.244 6.178 -3.998 1.00 0.00 O ATOM 617 CB GLN A 44 14.189 3.112 -4.755 1.00 0.00 C ATOM 618 CG GLN A 44 13.679 1.737 -5.193 1.00 0.00 C ATOM 619 CD GLN A 44 14.818 0.883 -5.753 1.00 0.00 C ATOM 620 OE1 GLN A 44 15.916 1.352 -6.003 1.00 0.00 O ATOM 621 NE2 GLN A 44 14.496 -0.395 -5.935 1.00 0.00 N ATOM 0 H GLN A 44 13.667 3.239 -7.219 1.00 0.00 H new ATOM 0 HA GLN A 44 12.330 4.096 -5.096 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.238 3.220 -5.032 1.00 0.00 H new ATOM 0 HB3 GLN A 44 14.136 3.195 -3.669 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.221 1.228 -4.345 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.904 1.857 -5.950 1.00 0.00 H new ATOM 0 HE21 GLN A 44 13.558 -0.722 -5.705 1.00 0.00 H new ATOM 0 HE22 GLN A 44 15.187 -1.047 -6.305 1.00 0.00 H new ATOM 630 N ASN A 45 14.897 6.091 -5.540 1.00 0.00 N ATOM 631 CA ASN A 45 15.451 7.385 -5.181 1.00 0.00 C ATOM 632 C ASN A 45 15.860 7.369 -3.707 1.00 0.00 C ATOM 633 O ASN A 45 15.395 8.193 -2.921 1.00 0.00 O ATOM 634 CB ASN A 45 14.420 8.498 -5.374 1.00 0.00 C ATOM 635 CG ASN A 45 14.354 8.938 -6.838 1.00 0.00 C ATOM 636 OD1 ASN A 45 15.281 8.754 -7.610 1.00 0.00 O ATOM 637 ND2 ASN A 45 13.211 9.529 -7.175 1.00 0.00 N ATOM 0 H ASN A 45 15.387 5.612 -6.296 1.00 0.00 H new ATOM 0 HA ASN A 45 16.310 7.574 -5.824 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.439 8.150 -5.051 1.00 0.00 H new ATOM 0 HB3 ASN A 45 14.678 9.351 -4.746 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.070 9.860 -8.130 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.476 9.651 -6.479 1.00 0.00 H new ATOM 644 N GLY A 46 16.726 6.422 -3.376 1.00 0.00 N ATOM 645 CA GLY A 46 17.203 6.288 -2.011 1.00 0.00 C ATOM 646 C GLY A 46 16.453 5.176 -1.275 1.00 0.00 C ATOM 647 O GLY A 46 15.614 4.495 -1.862 1.00 0.00 O ATOM 0 H GLY A 46 17.109 5.740 -4.031 1.00 0.00 H new ATOM 0 HA2 GLY A 46 18.271 6.070 -2.015 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.072 7.232 -1.482 1.00 0.00 H new ATOM 651 N VAL A 47 16.783 5.026 0.000 1.00 0.00 N ATOM 652 CA VAL A 47 16.152 4.008 0.822 1.00 0.00 C ATOM 653 C VAL A 47 14.677 4.363 1.022 1.00 0.00 C ATOM 654 O VAL A 47 14.280 5.511 0.831 1.00 0.00 O ATOM 655 CB VAL A 47 16.914 3.852 2.139 1.00 0.00 C ATOM 656 CG1 VAL A 47 16.914 5.162 2.930 1.00 0.00 C ATOM 657 CG2 VAL A 47 16.337 2.707 2.974 1.00 0.00 C ATOM 0 H VAL A 47 17.480 5.593 0.484 1.00 0.00 H new ATOM 0 HA VAL A 47 16.189 3.039 0.325 1.00 0.00 H new ATOM 0 HB VAL A 47 17.948 3.604 1.901 1.00 0.00 H new ATOM 0 HG11 VAL A 47 17.462 5.024 3.862 1.00 0.00 H new ATOM 0 HG12 VAL A 47 17.392 5.943 2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 47 15.887 5.453 3.152 1.00 0.00 H new ATOM 0 HG21 VAL A 47 16.897 2.618 3.905 1.00 0.00 H new ATOM 0 HG22 VAL A 47 15.290 2.912 3.198 1.00 0.00 H new ATOM 0 HG23 VAL A 47 16.412 1.775 2.414 1.00 0.00 H new ATOM 667 N ILE A 48 13.906 3.356 1.404 1.00 0.00 N ATOM 668 CA ILE A 48 12.484 3.547 1.633 1.00 0.00 C ATOM 669 C ILE A 48 12.191 3.423 3.129 1.00 0.00 C ATOM 670 O ILE A 48 12.570 2.437 3.760 1.00 0.00 O ATOM 671 CB ILE A 48 11.668 2.588 0.765 1.00 0.00 C ATOM 672 CG1 ILE A 48 12.316 2.405 -0.609 1.00 0.00 C ATOM 673 CG2 ILE A 48 10.213 3.049 0.655 1.00 0.00 C ATOM 674 CD1 ILE A 48 12.200 3.682 -1.444 1.00 0.00 C ATOM 0 H ILE A 48 14.239 2.405 1.561 1.00 0.00 H new ATOM 0 HA ILE A 48 12.181 4.550 1.331 1.00 0.00 H new ATOM 0 HB ILE A 48 11.660 1.612 1.250 1.00 0.00 H new ATOM 0 HG12 ILE A 48 13.366 2.140 -0.487 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.837 1.578 -1.134 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.656 2.349 0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.767 3.085 1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.179 4.041 0.205 1.00 0.00 H new ATOM 0 HD11 ILE A 48 12.668 3.525 -2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.148 3.931 -1.584 1.00 0.00 H new ATOM 0 HD13 ILE A 48 12.701 4.501 -0.928 1.00 0.00 H new ATOM 686 N ARG A 49 11.518 4.437 3.654 1.00 0.00 N ATOM 687 CA ARG A 49 11.170 4.453 5.065 1.00 0.00 C ATOM 688 C ARG A 49 9.938 3.582 5.318 1.00 0.00 C ATOM 689 O ARG A 49 9.808 2.977 6.381 1.00 0.00 O ATOM 690 CB ARG A 49 10.886 5.878 5.546 1.00 0.00 C ATOM 691 CG ARG A 49 12.119 6.768 5.378 1.00 0.00 C ATOM 692 CD ARG A 49 12.565 7.346 6.724 1.00 0.00 C ATOM 693 NE ARG A 49 11.391 7.839 7.477 1.00 0.00 N ATOM 694 CZ ARG A 49 11.373 8.025 8.804 1.00 0.00 C ATOM 695 NH1 ARG A 49 12.466 7.759 9.532 1.00 0.00 N ATOM 696 NH2 ARG A 49 10.262 8.476 9.403 1.00 0.00 N ATOM 0 H ARG A 49 11.205 5.253 3.128 1.00 0.00 H new ATOM 0 HA ARG A 49 12.020 4.056 5.621 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.051 6.296 4.983 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.586 5.859 6.594 1.00 0.00 H new ATOM 0 HG2 ARG A 49 12.932 6.190 4.939 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.895 7.580 4.686 1.00 0.00 H new ATOM 0 HD2 ARG A 49 13.084 6.582 7.303 1.00 0.00 H new ATOM 0 HD3 ARG A 49 13.272 8.160 6.563 1.00 0.00 H new ATOM 0 HE ARG A 49 10.542 8.051 6.953 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.311 7.415 9.076 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.453 7.900 10.542 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.430 8.678 8.849 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.249 8.617 10.413 1.00 0.00 H new ATOM 710 N GLY A 50 9.064 3.546 4.323 1.00 0.00 N ATOM 711 CA GLY A 50 7.847 2.759 4.424 1.00 0.00 C ATOM 712 C GLY A 50 6.974 2.937 3.180 1.00 0.00 C ATOM 713 O GLY A 50 7.334 3.676 2.265 1.00 0.00 O ATOM 0 H GLY A 50 9.175 4.049 3.443 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.100 1.706 4.548 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.288 3.059 5.311 1.00 0.00 H new ATOM 717 N TYR A 51 5.842 2.248 3.186 1.00 0.00 N ATOM 718 CA TYR A 51 4.915 2.320 2.070 1.00 0.00 C ATOM 719 C TYR A 51 3.475 2.476 2.563 1.00 0.00 C ATOM 720 O TYR A 51 3.116 1.953 3.617 1.00 0.00 O ATOM 721 CB TYR A 51 5.046 0.990 1.326 1.00 0.00 C ATOM 722 CG TYR A 51 6.358 0.836 0.554 1.00 0.00 C ATOM 723 CD1 TYR A 51 7.554 0.748 1.237 1.00 0.00 C ATOM 724 CD2 TYR A 51 6.346 0.785 -0.825 1.00 0.00 C ATOM 725 CE1 TYR A 51 8.789 0.603 0.510 1.00 0.00 C ATOM 726 CE2 TYR A 51 7.580 0.639 -1.552 1.00 0.00 C ATOM 727 CZ TYR A 51 8.741 0.555 -0.848 1.00 0.00 C ATOM 728 OH TYR A 51 9.907 0.418 -1.534 1.00 0.00 O ATOM 0 H TYR A 51 5.546 1.637 3.947 1.00 0.00 H new ATOM 0 HA TYR A 51 5.143 3.177 1.436 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.961 0.174 2.044 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.213 0.891 0.630 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.564 0.788 2.316 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.410 0.855 -1.359 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.732 0.534 1.032 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.584 0.597 -2.631 1.00 0.00 H new ATOM 0 HH TYR A 51 10.233 -0.502 -1.444 1.00 0.00 H new ATOM 738 N GLN A 52 2.689 3.197 1.777 1.00 0.00 N ATOM 739 CA GLN A 52 1.296 3.427 2.120 1.00 0.00 C ATOM 740 C GLN A 52 0.394 2.448 1.366 1.00 0.00 C ATOM 741 O GLN A 52 0.737 1.999 0.273 1.00 0.00 O ATOM 742 CB GLN A 52 0.893 4.875 1.833 1.00 0.00 C ATOM 743 CG GLN A 52 1.196 5.776 3.032 1.00 0.00 C ATOM 744 CD GLN A 52 0.536 7.147 2.868 1.00 0.00 C ATOM 745 OE1 GLN A 52 0.204 7.578 1.776 1.00 0.00 O ATOM 746 NE2 GLN A 52 0.365 7.805 4.011 1.00 0.00 N ATOM 0 H GLN A 52 2.990 3.630 0.904 1.00 0.00 H new ATOM 0 HA GLN A 52 1.173 3.254 3.189 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.429 5.238 0.956 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.171 4.921 1.599 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.838 5.303 3.947 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.274 5.898 3.137 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.666 7.386 4.891 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.067 8.729 4.008 1.00 0.00 H new ATOM 755 N ILE A 53 -0.740 2.145 1.980 1.00 0.00 N ATOM 756 CA ILE A 53 -1.693 1.227 1.380 1.00 0.00 C ATOM 757 C ILE A 53 -3.093 1.841 1.439 1.00 0.00 C ATOM 758 O ILE A 53 -3.734 1.837 2.489 1.00 0.00 O ATOM 759 CB ILE A 53 -1.598 -0.151 2.040 1.00 0.00 C ATOM 760 CG1 ILE A 53 -0.196 -0.740 1.878 1.00 0.00 C ATOM 761 CG2 ILE A 53 -2.681 -1.090 1.505 1.00 0.00 C ATOM 762 CD1 ILE A 53 0.772 -0.141 2.900 1.00 0.00 C ATOM 0 H ILE A 53 -1.020 2.519 2.887 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.458 1.068 0.328 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.775 -0.032 3.109 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.236 -1.822 2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.169 -0.547 0.869 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.592 -2.062 1.990 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.664 -0.669 1.715 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.560 -1.209 0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.762 -0.577 2.763 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.828 0.938 2.759 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.417 -0.357 3.908 1.00 0.00 H new ATOM 774 N GLY A 54 -3.527 2.355 0.297 1.00 0.00 N ATOM 775 CA GLY A 54 -4.840 2.973 0.205 1.00 0.00 C ATOM 776 C GLY A 54 -5.875 1.982 -0.331 1.00 0.00 C ATOM 777 O GLY A 54 -5.845 1.623 -1.507 1.00 0.00 O ATOM 0 H GLY A 54 -2.993 2.356 -0.572 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.148 3.330 1.188 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.791 3.843 -0.449 1.00 0.00 H new ATOM 781 N TYR A 55 -6.766 1.568 0.558 1.00 0.00 N ATOM 782 CA TYR A 55 -7.809 0.626 0.188 1.00 0.00 C ATOM 783 C TYR A 55 -9.195 1.187 0.515 1.00 0.00 C ATOM 784 O TYR A 55 -9.378 1.843 1.539 1.00 0.00 O ATOM 785 CB TYR A 55 -7.566 -0.625 1.035 1.00 0.00 C ATOM 786 CG TYR A 55 -7.823 -0.425 2.530 1.00 0.00 C ATOM 787 CD1 TYR A 55 -6.910 0.267 3.300 1.00 0.00 C ATOM 788 CD2 TYR A 55 -8.968 -0.935 3.108 1.00 0.00 C ATOM 789 CE1 TYR A 55 -7.152 0.455 4.707 1.00 0.00 C ATOM 790 CE2 TYR A 55 -9.209 -0.746 4.515 1.00 0.00 C ATOM 791 CZ TYR A 55 -8.289 -0.061 5.245 1.00 0.00 C ATOM 792 OH TYR A 55 -8.518 0.118 6.574 1.00 0.00 O ATOM 0 H TYR A 55 -6.787 1.867 1.533 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.779 0.420 -0.882 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.207 -1.428 0.671 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.536 -0.952 0.895 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.015 0.667 2.847 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.683 -1.476 2.505 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -6.446 0.994 5.321 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.101 -1.140 4.980 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.368 -0.303 6.819 1.00 0.00 H new ATOM 802 N ARG A 56 -10.136 0.908 -0.376 1.00 0.00 N ATOM 803 CA ARG A 56 -11.499 1.376 -0.196 1.00 0.00 C ATOM 804 C ARG A 56 -12.472 0.493 -0.979 1.00 0.00 C ATOM 805 O ARG A 56 -12.098 -0.106 -1.987 1.00 0.00 O ATOM 806 CB ARG A 56 -11.650 2.826 -0.661 1.00 0.00 C ATOM 807 CG ARG A 56 -11.016 3.028 -2.039 1.00 0.00 C ATOM 808 CD ARG A 56 -11.728 4.139 -2.813 1.00 0.00 C ATOM 809 NE ARG A 56 -12.115 3.653 -4.156 1.00 0.00 N ATOM 810 CZ ARG A 56 -13.075 4.209 -4.908 1.00 0.00 C ATOM 811 NH1 ARG A 56 -13.751 5.272 -4.454 1.00 0.00 N ATOM 812 NH2 ARG A 56 -13.358 3.700 -6.115 1.00 0.00 N ATOM 0 H ARG A 56 -9.981 0.364 -1.224 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.730 1.322 0.868 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.707 3.091 -0.700 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.180 3.494 0.061 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.961 3.278 -1.925 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.064 2.098 -2.605 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.613 4.465 -2.266 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.074 5.006 -2.906 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.620 2.845 -4.533 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.535 5.659 -3.535 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.481 5.695 -5.027 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.843 2.890 -6.461 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.088 4.122 -6.688 1.00 0.00 H new ATOM 826 N GLU A 57 -13.701 0.439 -0.487 1.00 0.00 N ATOM 827 CA GLU A 57 -14.730 -0.361 -1.129 1.00 0.00 C ATOM 828 C GLU A 57 -14.753 -0.088 -2.634 1.00 0.00 C ATOM 829 O GLU A 57 -14.467 1.025 -3.071 1.00 0.00 O ATOM 830 CB GLU A 57 -16.100 -0.097 -0.502 1.00 0.00 C ATOM 831 CG GLU A 57 -16.870 -1.403 -0.294 1.00 0.00 C ATOM 832 CD GLU A 57 -17.850 -1.650 -1.442 1.00 0.00 C ATOM 833 OE1 GLU A 57 -17.361 -1.823 -2.579 1.00 0.00 O ATOM 834 OE2 GLU A 57 -19.067 -1.660 -1.157 1.00 0.00 O ATOM 0 H GLU A 57 -14.007 0.936 0.349 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.494 -1.414 -0.975 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -15.974 0.411 0.454 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.675 0.570 -1.144 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.169 -2.235 -0.224 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -17.413 -1.363 0.650 1.00 0.00 H new ATOM 936 N TYR A 66 -9.930 6.620 0.129 1.00 0.00 N ATOM 937 CA TYR A 66 -8.976 5.526 0.202 1.00 0.00 C ATOM 938 C TYR A 66 -8.309 5.472 1.578 1.00 0.00 C ATOM 939 O TYR A 66 -7.544 6.367 1.936 1.00 0.00 O ATOM 940 CB TYR A 66 -7.912 5.823 -0.857 1.00 0.00 C ATOM 941 CG TYR A 66 -8.220 5.228 -2.232 1.00 0.00 C ATOM 942 CD1 TYR A 66 -7.811 3.946 -2.537 1.00 0.00 C ATOM 943 CD2 TYR A 66 -8.908 5.973 -3.168 1.00 0.00 C ATOM 944 CE1 TYR A 66 -8.101 3.386 -3.831 1.00 0.00 C ATOM 945 CE2 TYR A 66 -9.198 5.413 -4.463 1.00 0.00 C ATOM 946 CZ TYR A 66 -8.780 4.147 -4.730 1.00 0.00 C ATOM 947 OH TYR A 66 -9.054 3.618 -5.953 1.00 0.00 O ATOM 0 HA TYR A 66 -9.474 4.570 0.037 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.804 6.903 -0.956 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.953 5.437 -0.512 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.273 3.362 -1.805 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.229 6.976 -2.929 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -7.786 2.384 -4.082 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -9.735 5.985 -5.205 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.452 2.729 -5.843 1.00 0.00 H new ATOM 957 N SER A 67 -8.622 4.414 2.311 1.00 0.00 N ATOM 958 CA SER A 67 -8.062 4.231 3.639 1.00 0.00 C ATOM 959 C SER A 67 -6.546 4.042 3.546 1.00 0.00 C ATOM 960 O SER A 67 -6.073 2.983 3.137 1.00 0.00 O ATOM 961 CB SER A 67 -8.703 3.037 4.348 1.00 0.00 C ATOM 962 OG SER A 67 -10.040 3.313 4.755 1.00 0.00 O ATOM 0 H SER A 67 -9.257 3.674 2.010 1.00 0.00 H new ATOM 0 HA SER A 67 -8.275 5.124 4.226 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.698 2.174 3.682 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.106 2.770 5.220 1.00 0.00 H new ATOM 0 HG SER A 67 -10.415 2.526 5.202 1.00 0.00 H new ATOM 968 N ILE A 68 -5.827 5.086 3.933 1.00 0.00 N ATOM 969 CA ILE A 68 -4.375 5.048 3.899 1.00 0.00 C ATOM 970 C ILE A 68 -3.855 4.406 5.187 1.00 0.00 C ATOM 971 O ILE A 68 -4.465 4.548 6.245 1.00 0.00 O ATOM 972 CB ILE A 68 -3.809 6.445 3.637 1.00 0.00 C ATOM 973 CG1 ILE A 68 -4.229 6.957 2.257 1.00 0.00 C ATOM 974 CG2 ILE A 68 -2.289 6.464 3.816 1.00 0.00 C ATOM 975 CD1 ILE A 68 -3.694 6.048 1.149 1.00 0.00 C ATOM 0 H ILE A 68 -6.223 5.963 4.272 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.030 4.428 3.072 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.229 7.127 4.376 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.316 7.006 2.199 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.856 7.971 2.112 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.913 7.469 3.624 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.039 6.172 4.836 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.831 5.765 3.116 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -4.007 6.434 0.179 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.605 6.020 1.195 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.088 5.041 1.283 1.00 0.00 H new ATOM 987 N VAL A 69 -2.734 3.714 5.054 1.00 0.00 N ATOM 988 CA VAL A 69 -2.125 3.049 6.194 1.00 0.00 C ATOM 989 C VAL A 69 -0.607 3.014 6.008 1.00 0.00 C ATOM 990 O VAL A 69 -0.103 2.338 5.112 1.00 0.00 O ATOM 991 CB VAL A 69 -2.737 1.659 6.377 1.00 0.00 C ATOM 992 CG1 VAL A 69 -3.939 1.709 7.323 1.00 0.00 C ATOM 993 CG2 VAL A 69 -3.125 1.048 5.029 1.00 0.00 C ATOM 0 H VAL A 69 -2.231 3.599 4.174 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.327 3.602 7.111 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.981 1.018 6.830 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.355 0.708 7.436 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.620 2.081 8.297 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.699 2.374 6.911 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.557 0.060 5.188 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.856 1.689 4.536 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.238 0.959 4.401 1.00 0.00 H new ATOM 1003 N GLU A 70 0.080 3.752 6.868 1.00 0.00 N ATOM 1004 CA GLU A 70 1.531 3.814 6.809 1.00 0.00 C ATOM 1005 C GLU A 70 2.142 2.582 7.480 1.00 0.00 C ATOM 1006 O GLU A 70 1.586 2.054 8.442 1.00 0.00 O ATOM 1007 CB GLU A 70 2.051 5.102 7.450 1.00 0.00 C ATOM 1008 CG GLU A 70 3.574 5.068 7.590 1.00 0.00 C ATOM 1009 CD GLU A 70 3.986 4.610 8.991 1.00 0.00 C ATOM 1010 OE1 GLU A 70 3.304 3.702 9.514 1.00 0.00 O ATOM 1011 OE2 GLU A 70 4.973 5.177 9.506 1.00 0.00 O ATOM 0 H GLU A 70 -0.341 4.312 7.609 1.00 0.00 H new ATOM 0 HA GLU A 70 1.833 3.821 5.762 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.757 5.959 6.844 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.595 5.234 8.431 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.996 4.394 6.844 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.983 6.059 7.392 1.00 0.00 H new ATOM 1018 N MET A 71 3.278 2.159 6.945 1.00 0.00 N ATOM 1019 CA MET A 71 3.971 0.999 7.479 1.00 0.00 C ATOM 1020 C MET A 71 5.454 1.026 7.105 1.00 0.00 C ATOM 1021 O MET A 71 5.825 1.557 6.059 1.00 0.00 O ATOM 1022 CB MET A 71 3.329 -0.277 6.932 1.00 0.00 C ATOM 1023 CG MET A 71 3.201 -0.216 5.408 1.00 0.00 C ATOM 1024 SD MET A 71 3.156 -1.867 4.733 1.00 0.00 S ATOM 1025 CE MET A 71 4.898 -2.255 4.747 1.00 0.00 C ATOM 0 H MET A 71 3.736 2.599 6.147 1.00 0.00 H new ATOM 0 HA MET A 71 3.889 1.019 8.566 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.930 -1.141 7.216 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.344 -0.413 7.378 1.00 0.00 H new ATOM 0 HG2 MET A 71 2.295 0.323 5.132 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.041 0.336 4.986 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.040 -3.280 5.090 1.00 0.00 H new ATOM 0 HE2 MET A 71 5.302 -2.150 3.740 1.00 0.00 H new ATOM 0 HE3 MET A 71 5.417 -1.572 5.420 1.00 0.00 H new ATOM 1035 N LYS A 72 6.263 0.446 7.979 1.00 0.00 N ATOM 1036 CA LYS A 72 7.698 0.396 7.753 1.00 0.00 C ATOM 1037 C LYS A 72 8.013 -0.713 6.747 1.00 0.00 C ATOM 1038 O LYS A 72 7.275 -1.692 6.645 1.00 0.00 O ATOM 1039 CB LYS A 72 8.444 0.252 9.081 1.00 0.00 C ATOM 1040 CG LYS A 72 8.134 -1.092 9.742 1.00 0.00 C ATOM 1041 CD LYS A 72 9.419 -1.865 10.043 1.00 0.00 C ATOM 1042 CE LYS A 72 9.114 -3.173 10.776 1.00 0.00 C ATOM 1043 NZ LYS A 72 10.106 -3.409 11.849 1.00 0.00 N ATOM 0 H LYS A 72 5.952 0.006 8.845 1.00 0.00 H new ATOM 0 HA LYS A 72 8.048 1.331 7.317 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.517 0.338 8.910 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.161 1.064 9.751 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.580 -0.927 10.666 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.494 -1.684 9.088 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.945 -2.080 9.113 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.084 -1.250 10.650 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.111 -3.133 11.202 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.128 -4.004 10.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.885 -4.301 12.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.058 -3.468 11.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.073 -2.624 12.531 1.00 0.00 H new ATOM 1057 N ALA A 73 9.110 -0.522 6.029 1.00 0.00 N ATOM 1058 CA ALA A 73 9.532 -1.493 5.035 1.00 0.00 C ATOM 1059 C ALA A 73 10.444 -2.529 5.695 1.00 0.00 C ATOM 1060 O ALA A 73 11.536 -2.197 6.154 1.00 0.00 O ATOM 1061 CB ALA A 73 10.216 -0.771 3.873 1.00 0.00 C ATOM 0 H ALA A 73 9.719 0.291 6.116 1.00 0.00 H new ATOM 0 HA ALA A 73 8.671 -2.023 4.628 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.533 -1.500 3.127 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.517 -0.068 3.419 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.086 -0.229 4.243 1.00 0.00 H new ATOM 1067 N THR A 74 9.963 -3.763 5.722 1.00 0.00 N ATOM 1068 CA THR A 74 10.721 -4.850 6.319 1.00 0.00 C ATOM 1069 C THR A 74 12.071 -5.006 5.616 1.00 0.00 C ATOM 1070 O THR A 74 13.093 -5.219 6.267 1.00 0.00 O ATOM 1071 CB THR A 74 9.859 -6.112 6.267 1.00 0.00 C ATOM 1072 OG1 THR A 74 9.584 -6.288 4.880 1.00 0.00 O ATOM 1073 CG2 THR A 74 8.480 -5.906 6.897 1.00 0.00 C ATOM 0 H THR A 74 9.057 -4.035 5.340 1.00 0.00 H new ATOM 0 HA THR A 74 10.955 -4.643 7.363 1.00 0.00 H new ATOM 0 HB THR A 74 10.374 -6.924 6.779 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.326 -6.769 4.458 1.00 0.00 H new ATOM 0 HG21 THR A 74 7.909 -6.832 6.834 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.597 -5.622 7.943 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.951 -5.116 6.364 1.00 0.00 H new ATOM 1081 N GLY A 75 12.032 -4.894 4.297 1.00 0.00 N ATOM 1082 CA GLY A 75 13.240 -5.021 3.499 1.00 0.00 C ATOM 1083 C GLY A 75 12.920 -4.940 2.005 1.00 0.00 C ATOM 1084 O GLY A 75 12.194 -4.049 1.568 1.00 0.00 O ATOM 0 H GLY A 75 11.183 -4.717 3.760 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.942 -4.232 3.768 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.728 -5.971 3.719 1.00 0.00 H new ATOM 1088 N ASP A 76 13.479 -5.884 1.261 1.00 0.00 N ATOM 1089 CA ASP A 76 13.263 -5.931 -0.175 1.00 0.00 C ATOM 1090 C ASP A 76 11.769 -6.100 -0.456 1.00 0.00 C ATOM 1091 O ASP A 76 11.227 -5.464 -1.359 1.00 0.00 O ATOM 1092 CB ASP A 76 14.000 -7.115 -0.804 1.00 0.00 C ATOM 1093 CG ASP A 76 15.393 -7.387 -0.234 1.00 0.00 C ATOM 1094 OD1 ASP A 76 16.027 -6.405 0.207 1.00 0.00 O ATOM 1095 OD2 ASP A 76 15.792 -8.572 -0.252 1.00 0.00 O ATOM 0 H ASP A 76 14.081 -6.622 1.626 1.00 0.00 H new ATOM 0 HA ASP A 76 13.640 -5.003 -0.604 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.391 -8.011 -0.678 1.00 0.00 H new ATOM 0 HB3 ASP A 76 14.091 -6.939 -1.876 1.00 0.00 H new ATOM 1100 N SER A 77 11.144 -6.962 0.333 1.00 0.00 N ATOM 1101 CA SER A 77 9.723 -7.223 0.180 1.00 0.00 C ATOM 1102 C SER A 77 8.961 -6.696 1.397 1.00 0.00 C ATOM 1103 O SER A 77 9.491 -6.679 2.507 1.00 0.00 O ATOM 1104 CB SER A 77 9.455 -8.718 -0.008 1.00 0.00 C ATOM 1105 OG SER A 77 10.002 -9.496 1.053 1.00 0.00 O ATOM 0 H SER A 77 11.596 -7.489 1.080 1.00 0.00 H new ATOM 0 HA SER A 77 9.373 -6.704 -0.712 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.380 -8.889 -0.066 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.882 -9.046 -0.956 1.00 0.00 H new ATOM 0 HG SER A 77 9.808 -10.444 0.897 1.00 0.00 H new ATOM 1111 N GLU A 78 7.728 -6.279 1.148 1.00 0.00 N ATOM 1112 CA GLU A 78 6.887 -5.753 2.210 1.00 0.00 C ATOM 1113 C GLU A 78 5.461 -6.290 2.073 1.00 0.00 C ATOM 1114 O GLU A 78 5.008 -6.584 0.968 1.00 0.00 O ATOM 1115 CB GLU A 78 6.899 -4.223 2.211 1.00 0.00 C ATOM 1116 CG GLU A 78 8.329 -3.686 2.132 1.00 0.00 C ATOM 1117 CD GLU A 78 8.686 -3.288 0.699 1.00 0.00 C ATOM 1118 OE1 GLU A 78 8.063 -3.859 -0.221 1.00 0.00 O ATOM 1119 OE2 GLU A 78 9.575 -2.420 0.555 1.00 0.00 O ATOM 0 H GLU A 78 7.291 -6.295 0.226 1.00 0.00 H new ATOM 0 HA GLU A 78 7.290 -6.088 3.166 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.320 -3.851 1.366 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.417 -3.853 3.116 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.434 -2.823 2.790 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.026 -4.445 2.487 1.00 0.00 H new ATOM 1126 N VAL A 79 4.793 -6.402 3.212 1.00 0.00 N ATOM 1127 CA VAL A 79 3.428 -6.899 3.233 1.00 0.00 C ATOM 1128 C VAL A 79 2.672 -6.250 4.394 1.00 0.00 C ATOM 1129 O VAL A 79 3.256 -5.966 5.439 1.00 0.00 O ATOM 1130 CB VAL A 79 3.428 -8.427 3.299 1.00 0.00 C ATOM 1131 CG1 VAL A 79 4.225 -8.924 4.507 1.00 0.00 C ATOM 1132 CG2 VAL A 79 2.000 -8.975 3.322 1.00 0.00 C ATOM 0 H VAL A 79 5.172 -6.157 4.127 1.00 0.00 H new ATOM 0 HA VAL A 79 2.908 -6.627 2.314 1.00 0.00 H new ATOM 0 HB VAL A 79 3.916 -8.801 2.399 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.209 -10.014 4.530 1.00 0.00 H new ATOM 0 HG12 VAL A 79 5.256 -8.578 4.430 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.779 -8.535 5.422 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.029 -10.064 3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.476 -8.588 4.196 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.477 -8.665 2.418 1.00 0.00 H new ATOM 1142 N TYR A 80 1.383 -6.036 4.173 1.00 0.00 N ATOM 1143 CA TYR A 80 0.541 -5.426 5.188 1.00 0.00 C ATOM 1144 C TYR A 80 -0.834 -6.095 5.235 1.00 0.00 C ATOM 1145 O TYR A 80 -1.500 -6.226 4.209 1.00 0.00 O ATOM 1146 CB TYR A 80 0.369 -3.964 4.772 1.00 0.00 C ATOM 1147 CG TYR A 80 -0.112 -3.048 5.899 1.00 0.00 C ATOM 1148 CD1 TYR A 80 0.790 -2.551 6.817 1.00 0.00 C ATOM 1149 CD2 TYR A 80 -1.449 -2.719 5.997 1.00 0.00 C ATOM 1150 CE1 TYR A 80 0.337 -1.689 7.877 1.00 0.00 C ATOM 1151 CE2 TYR A 80 -1.902 -1.857 7.058 1.00 0.00 C ATOM 1152 CZ TYR A 80 -0.986 -1.384 7.946 1.00 0.00 C ATOM 1153 OH TYR A 80 -1.414 -0.570 8.947 1.00 0.00 O ATOM 0 H TYR A 80 0.901 -6.274 3.306 1.00 0.00 H new ATOM 0 HA TYR A 80 0.994 -5.529 6.174 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.321 -3.590 4.395 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -0.342 -3.913 3.948 1.00 0.00 H new ATOM 0 HD1 TYR A 80 1.836 -2.809 6.740 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -2.155 -3.108 5.278 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.033 -1.293 8.602 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.945 -1.592 7.147 1.00 0.00 H new ATOM 0 HH TYR A 80 -2.382 -0.438 8.870 1.00 0.00 H new ATOM 1163 N THR A 81 -1.219 -6.502 6.436 1.00 0.00 N ATOM 1164 CA THR A 81 -2.503 -7.154 6.629 1.00 0.00 C ATOM 1165 C THR A 81 -3.617 -6.113 6.755 1.00 0.00 C ATOM 1166 O THR A 81 -3.757 -5.473 7.796 1.00 0.00 O ATOM 1167 CB THR A 81 -2.387 -8.072 7.848 1.00 0.00 C ATOM 1168 OG1 THR A 81 -1.510 -9.110 7.419 1.00 0.00 O ATOM 1169 CG2 THR A 81 -3.698 -8.797 8.161 1.00 0.00 C ATOM 0 H THR A 81 -0.664 -6.393 7.285 1.00 0.00 H new ATOM 0 HA THR A 81 -2.770 -7.765 5.767 1.00 0.00 H new ATOM 0 HB THR A 81 -2.079 -7.487 8.715 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.378 -9.750 8.150 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.561 -9.435 9.034 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.479 -8.065 8.365 1.00 0.00 H new ATOM 0 HG23 THR A 81 -3.989 -9.408 7.307 1.00 0.00 H new ATOM 1177 N LEU A 82 -4.380 -5.977 5.681 1.00 0.00 N ATOM 1178 CA LEU A 82 -5.477 -5.024 5.659 1.00 0.00 C ATOM 1179 C LEU A 82 -6.727 -5.679 6.250 1.00 0.00 C ATOM 1180 O LEU A 82 -7.349 -6.527 5.613 1.00 0.00 O ATOM 1181 CB LEU A 82 -5.681 -4.475 4.245 1.00 0.00 C ATOM 1182 CG LEU A 82 -4.614 -3.500 3.744 1.00 0.00 C ATOM 1183 CD1 LEU A 82 -4.721 -3.300 2.231 1.00 0.00 C ATOM 1184 CD2 LEU A 82 -4.683 -2.174 4.504 1.00 0.00 C ATOM 0 H LEU A 82 -4.261 -6.510 4.820 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.244 -4.160 6.281 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.730 -5.316 3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.649 -3.975 4.207 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.634 -3.934 3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.951 -2.603 1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.584 -4.257 1.727 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.704 -2.898 1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.914 -1.499 4.128 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.664 -1.722 4.359 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.520 -2.355 5.566 1.00 0.00 H new ATOM 1196 N ASP A 83 -7.058 -5.260 7.463 1.00 0.00 N ATOM 1197 CA ASP A 83 -8.222 -5.795 8.148 1.00 0.00 C ATOM 1198 C ASP A 83 -9.366 -4.781 8.068 1.00 0.00 C ATOM 1199 O ASP A 83 -9.223 -3.727 7.450 1.00 0.00 O ATOM 1200 CB ASP A 83 -7.922 -6.054 9.625 1.00 0.00 C ATOM 1201 CG ASP A 83 -6.891 -5.111 10.250 1.00 0.00 C ATOM 1202 OD1 ASP A 83 -6.891 -3.926 9.852 1.00 0.00 O ATOM 1203 OD2 ASP A 83 -6.128 -5.596 11.112 1.00 0.00 O ATOM 0 H ASP A 83 -6.540 -4.556 7.989 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.495 -6.734 7.666 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.852 -5.976 10.188 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.568 -7.079 9.734 1.00 0.00 H new ATOM 1208 N ASN A 84 -10.473 -5.136 8.702 1.00 0.00 N ATOM 1209 CA ASN A 84 -11.640 -4.270 8.711 1.00 0.00 C ATOM 1210 C ASN A 84 -12.145 -4.086 7.279 1.00 0.00 C ATOM 1211 O ASN A 84 -12.149 -2.973 6.756 1.00 0.00 O ATOM 1212 CB ASN A 84 -11.297 -2.889 9.273 1.00 0.00 C ATOM 1213 CG ASN A 84 -11.591 -2.818 10.772 1.00 0.00 C ATOM 1214 OD1 ASN A 84 -12.731 -2.786 11.207 1.00 0.00 O ATOM 1215 ND2 ASN A 84 -10.503 -2.795 11.536 1.00 0.00 N ATOM 0 H ASN A 84 -10.587 -6.011 9.213 1.00 0.00 H new ATOM 0 HA ASN A 84 -12.400 -4.736 9.338 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -10.244 -2.671 9.095 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -11.873 -2.126 8.749 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.593 -2.748 12.551 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.578 -2.824 11.107 1.00 0.00 H new ATOM 1222 N LEU A 85 -12.557 -5.196 6.683 1.00 0.00 N ATOM 1223 CA LEU A 85 -13.062 -5.171 5.321 1.00 0.00 C ATOM 1224 C LEU A 85 -14.495 -5.707 5.304 1.00 0.00 C ATOM 1225 O LEU A 85 -15.087 -5.940 6.356 1.00 0.00 O ATOM 1226 CB LEU A 85 -12.113 -5.922 4.384 1.00 0.00 C ATOM 1227 CG LEU A 85 -10.638 -5.527 4.467 1.00 0.00 C ATOM 1228 CD1 LEU A 85 -9.793 -6.358 3.499 1.00 0.00 C ATOM 1229 CD2 LEU A 85 -10.459 -4.025 4.240 1.00 0.00 C ATOM 0 H LEU A 85 -12.551 -6.118 7.119 1.00 0.00 H new ATOM 0 HA LEU A 85 -13.099 -4.148 4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.195 -6.988 4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.452 -5.772 3.359 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.282 -5.745 5.474 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.748 -6.057 3.578 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.886 -7.415 3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.142 -6.195 2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.401 -3.771 4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.837 -3.759 3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.011 -3.474 5.001 1.00 0.00 H new ATOM 1241 N LYS A 86 -15.011 -5.886 4.096 1.00 0.00 N ATOM 1242 CA LYS A 86 -16.363 -6.390 3.928 1.00 0.00 C ATOM 1243 C LYS A 86 -16.308 -7.871 3.546 1.00 0.00 C ATOM 1244 O LYS A 86 -15.273 -8.361 3.095 1.00 0.00 O ATOM 1245 CB LYS A 86 -17.136 -5.527 2.929 1.00 0.00 C ATOM 1246 CG LYS A 86 -18.445 -5.021 3.539 1.00 0.00 C ATOM 1247 CD LYS A 86 -19.446 -4.635 2.448 1.00 0.00 C ATOM 1248 CE LYS A 86 -20.710 -5.492 2.536 1.00 0.00 C ATOM 1249 NZ LYS A 86 -21.573 -5.264 1.355 1.00 0.00 N ATOM 0 H LYS A 86 -14.517 -5.691 3.225 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.913 -6.322 4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.522 -4.680 2.623 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.349 -6.107 2.031 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -18.876 -5.794 4.176 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -18.244 -4.159 4.175 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -19.709 -3.582 2.547 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -18.986 -4.758 1.467 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -20.439 -6.546 2.598 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -21.258 -5.250 3.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -22.427 -5.853 1.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -21.847 -4.261 1.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -21.053 -5.517 0.491 1.00 0.00 H new ATOM 1263 N LYS A 87 -17.433 -8.542 3.741 1.00 0.00 N ATOM 1264 CA LYS A 87 -17.525 -9.957 3.423 1.00 0.00 C ATOM 1265 C LYS A 87 -18.010 -10.121 1.981 1.00 0.00 C ATOM 1266 O LYS A 87 -19.006 -9.518 1.585 1.00 0.00 O ATOM 1267 CB LYS A 87 -18.397 -10.681 4.450 1.00 0.00 C ATOM 1268 CG LYS A 87 -17.967 -10.335 5.877 1.00 0.00 C ATOM 1269 CD LYS A 87 -19.183 -10.081 6.770 1.00 0.00 C ATOM 1270 CE LYS A 87 -19.201 -11.045 7.958 1.00 0.00 C ATOM 1271 NZ LYS A 87 -20.133 -10.563 9.002 1.00 0.00 N ATOM 0 H LYS A 87 -18.289 -8.132 4.115 1.00 0.00 H new ATOM 0 HA LYS A 87 -16.543 -10.426 3.485 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -19.441 -10.405 4.304 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -18.327 -11.758 4.297 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.373 -11.150 6.289 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -17.330 -9.451 5.864 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -19.165 -9.053 7.131 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -20.097 -10.198 6.188 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -19.502 -12.038 7.624 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.198 -11.139 8.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -20.133 -11.229 9.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -19.829 -9.625 9.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -21.093 -10.496 8.607 1.00 0.00 H new ATOM 1285 N PHE A 88 -17.281 -10.938 1.235 1.00 0.00 N ATOM 1286 CA PHE A 88 -17.624 -11.189 -0.154 1.00 0.00 C ATOM 1287 C PHE A 88 -17.941 -9.882 -0.885 1.00 0.00 C ATOM 1288 O PHE A 88 -19.078 -9.656 -1.296 1.00 0.00 O ATOM 1289 CB PHE A 88 -18.872 -12.074 -0.155 1.00 0.00 C ATOM 1290 CG PHE A 88 -19.126 -12.791 -1.482 1.00 0.00 C ATOM 1291 CD1 PHE A 88 -18.087 -13.337 -2.170 1.00 0.00 C ATOM 1292 CD2 PHE A 88 -20.390 -12.882 -1.975 1.00 0.00 C ATOM 1293 CE1 PHE A 88 -18.323 -14.002 -3.402 1.00 0.00 C ATOM 1294 CE2 PHE A 88 -20.626 -13.548 -3.207 1.00 0.00 C ATOM 1295 CZ PHE A 88 -19.588 -14.094 -3.895 1.00 0.00 C ATOM 0 H PHE A 88 -16.454 -11.435 1.567 1.00 0.00 H new ATOM 0 HA PHE A 88 -16.786 -11.666 -0.663 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -18.778 -12.818 0.636 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -19.740 -11.460 0.087 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -17.083 -13.265 -1.779 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -21.215 -12.448 -1.430 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -17.498 -14.435 -3.948 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -21.630 -13.621 -3.598 1.00 0.00 H new ATOM 0 HZ PHE A 88 -19.767 -14.600 -4.832 1.00 0.00 H new ATOM 1305 N ALA A 89 -16.914 -9.056 -1.024 1.00 0.00 N ATOM 1306 CA ALA A 89 -17.069 -7.778 -1.698 1.00 0.00 C ATOM 1307 C ALA A 89 -15.750 -7.402 -2.377 1.00 0.00 C ATOM 1308 O ALA A 89 -14.675 -7.675 -1.846 1.00 0.00 O ATOM 1309 CB ALA A 89 -17.528 -6.722 -0.691 1.00 0.00 C ATOM 0 H ALA A 89 -15.972 -9.247 -0.682 1.00 0.00 H new ATOM 0 HA ALA A 89 -17.833 -7.843 -2.473 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -17.644 -5.763 -1.197 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -18.482 -7.022 -0.258 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -16.785 -6.627 0.101 1.00 0.00 H new ATOM 1315 N GLN A 90 -15.877 -6.781 -3.541 1.00 0.00 N ATOM 1316 CA GLN A 90 -14.709 -6.365 -4.298 1.00 0.00 C ATOM 1317 C GLN A 90 -14.066 -5.137 -3.650 1.00 0.00 C ATOM 1318 O GLN A 90 -14.766 -4.251 -3.161 1.00 0.00 O ATOM 1319 CB GLN A 90 -15.072 -6.088 -5.758 1.00 0.00 C ATOM 1320 CG GLN A 90 -13.860 -5.569 -6.536 1.00 0.00 C ATOM 1321 CD GLN A 90 -14.203 -5.364 -8.013 1.00 0.00 C ATOM 1322 OE1 GLN A 90 -14.456 -4.262 -8.470 1.00 0.00 O ATOM 1323 NE2 GLN A 90 -14.199 -6.484 -8.730 1.00 0.00 N ATOM 0 H GLN A 90 -16.771 -6.556 -3.978 1.00 0.00 H new ATOM 0 HA GLN A 90 -13.984 -7.179 -4.287 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -15.444 -7.001 -6.223 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -15.878 -5.356 -5.803 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -13.522 -4.627 -6.103 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -13.035 -6.276 -6.445 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -13.978 -7.374 -8.284 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -14.417 -6.453 -9.726 1.00 0.00 H new ATOM 1332 N TYR A 91 -12.742 -5.122 -3.668 1.00 0.00 N ATOM 1333 CA TYR A 91 -11.997 -4.017 -3.089 1.00 0.00 C ATOM 1334 C TYR A 91 -10.769 -3.679 -3.936 1.00 0.00 C ATOM 1335 O TYR A 91 -10.027 -4.571 -4.344 1.00 0.00 O ATOM 1336 CB TYR A 91 -11.535 -4.497 -1.711 1.00 0.00 C ATOM 1337 CG TYR A 91 -12.446 -4.061 -0.562 1.00 0.00 C ATOM 1338 CD1 TYR A 91 -12.325 -2.794 -0.029 1.00 0.00 C ATOM 1339 CD2 TYR A 91 -13.388 -4.934 -0.059 1.00 0.00 C ATOM 1340 CE1 TYR A 91 -13.182 -2.383 1.053 1.00 0.00 C ATOM 1341 CE2 TYR A 91 -14.246 -4.524 1.022 1.00 0.00 C ATOM 1342 CZ TYR A 91 -14.100 -3.269 1.525 1.00 0.00 C ATOM 1343 OH TYR A 91 -14.910 -2.881 2.547 1.00 0.00 O ATOM 0 H TYR A 91 -12.165 -5.858 -4.075 1.00 0.00 H new ATOM 0 HA TYR A 91 -12.618 -3.123 -3.035 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -11.473 -5.585 -1.719 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -10.529 -4.122 -1.526 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.588 -2.111 -0.423 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -13.482 -5.926 -0.476 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -13.098 -1.394 1.480 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -14.988 -5.198 1.424 1.00 0.00 H new ATOM 0 HH TYR A 91 -15.057 -1.913 2.499 1.00 0.00 H new ATOM 1353 N GLY A 92 -10.594 -2.388 -4.177 1.00 0.00 N ATOM 1354 CA GLY A 92 -9.469 -1.920 -4.969 1.00 0.00 C ATOM 1355 C GLY A 92 -8.549 -1.023 -4.139 1.00 0.00 C ATOM 1356 O GLY A 92 -8.897 0.116 -3.833 1.00 0.00 O ATOM 0 H GLY A 92 -11.212 -1.651 -3.838 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.906 -2.773 -5.347 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.834 -1.369 -5.836 1.00 0.00 H new ATOM 1360 N VAL A 93 -7.392 -1.571 -3.798 1.00 0.00 N ATOM 1361 CA VAL A 93 -6.419 -0.835 -3.009 1.00 0.00 C ATOM 1362 C VAL A 93 -5.217 -0.483 -3.888 1.00 0.00 C ATOM 1363 O VAL A 93 -5.017 -1.085 -4.942 1.00 0.00 O ATOM 1364 CB VAL A 93 -6.035 -1.641 -1.766 1.00 0.00 C ATOM 1365 CG1 VAL A 93 -7.208 -2.497 -1.284 1.00 0.00 C ATOM 1366 CG2 VAL A 93 -4.800 -2.504 -2.033 1.00 0.00 C ATOM 0 H VAL A 93 -7.106 -2.516 -4.054 1.00 0.00 H new ATOM 0 HA VAL A 93 -6.847 0.102 -2.653 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.786 -0.936 -0.973 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.909 -3.060 -0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.051 -1.852 -1.036 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.501 -3.190 -2.073 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.548 -3.067 -1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.010 -3.197 -2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.961 -1.864 -2.307 1.00 0.00 H new ATOM 1376 N VAL A 94 -4.449 0.491 -3.422 1.00 0.00 N ATOM 1377 CA VAL A 94 -3.273 0.931 -4.153 1.00 0.00 C ATOM 1378 C VAL A 94 -2.084 1.018 -3.193 1.00 0.00 C ATOM 1379 O VAL A 94 -2.232 1.460 -2.055 1.00 0.00 O ATOM 1380 CB VAL A 94 -3.563 2.253 -4.866 1.00 0.00 C ATOM 1381 CG1 VAL A 94 -4.273 2.012 -6.200 1.00 0.00 C ATOM 1382 CG2 VAL A 94 -4.378 3.190 -3.973 1.00 0.00 C ATOM 0 H VAL A 94 -4.618 0.988 -2.547 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.014 0.210 -4.928 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.609 2.736 -5.077 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.468 2.968 -6.686 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.641 1.400 -6.843 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.217 1.497 -6.022 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.570 4.122 -4.504 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.326 2.716 -3.717 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.820 3.400 -3.061 1.00 0.00 H new ATOM 1392 N VAL A 95 -0.932 0.589 -3.687 1.00 0.00 N ATOM 1393 CA VAL A 95 0.280 0.613 -2.888 1.00 0.00 C ATOM 1394 C VAL A 95 1.261 1.624 -3.486 1.00 0.00 C ATOM 1395 O VAL A 95 1.306 1.805 -4.702 1.00 0.00 O ATOM 1396 CB VAL A 95 0.865 -0.797 -2.782 1.00 0.00 C ATOM 1397 CG1 VAL A 95 1.951 -0.860 -1.705 1.00 0.00 C ATOM 1398 CG2 VAL A 95 -0.233 -1.827 -2.514 1.00 0.00 C ATOM 0 H VAL A 95 -0.813 0.223 -4.631 1.00 0.00 H new ATOM 0 HA VAL A 95 0.060 0.937 -1.871 1.00 0.00 H new ATOM 0 HB VAL A 95 1.327 -1.041 -3.739 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.350 -1.873 -1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.754 -0.167 -1.957 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.523 -0.586 -0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.210 -2.821 -2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.737 -1.587 -1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.956 -1.809 -3.330 1.00 0.00 H new ATOM 1408 N GLN A 96 2.022 2.255 -2.605 1.00 0.00 N ATOM 1409 CA GLN A 96 2.999 3.243 -3.031 1.00 0.00 C ATOM 1410 C GLN A 96 4.145 3.327 -2.020 1.00 0.00 C ATOM 1411 O GLN A 96 3.944 3.099 -0.829 1.00 0.00 O ATOM 1412 CB GLN A 96 2.344 4.611 -3.232 1.00 0.00 C ATOM 1413 CG GLN A 96 1.187 4.814 -2.252 1.00 0.00 C ATOM 1414 CD GLN A 96 0.395 6.078 -2.593 1.00 0.00 C ATOM 1415 OE1 GLN A 96 -0.579 6.053 -3.327 1.00 0.00 O ATOM 1416 NE2 GLN A 96 0.867 7.183 -2.022 1.00 0.00 N ATOM 0 H GLN A 96 1.982 2.102 -1.597 1.00 0.00 H new ATOM 0 HA GLN A 96 3.409 2.929 -3.991 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.086 5.397 -3.092 1.00 0.00 H new ATOM 0 HB3 GLN A 96 1.978 4.696 -4.255 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.526 3.948 -2.280 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.575 4.887 -1.236 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.687 7.134 -1.418 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.409 8.079 -2.189 1.00 0.00 H new ATOM 1425 N ALA A 97 5.321 3.654 -2.534 1.00 0.00 N ATOM 1426 CA ALA A 97 6.499 3.771 -1.691 1.00 0.00 C ATOM 1427 C ALA A 97 6.633 5.216 -1.207 1.00 0.00 C ATOM 1428 O ALA A 97 6.601 6.149 -2.008 1.00 0.00 O ATOM 1429 CB ALA A 97 7.731 3.299 -2.466 1.00 0.00 C ATOM 0 H ALA A 97 5.484 3.842 -3.523 1.00 0.00 H new ATOM 0 HA ALA A 97 6.405 3.136 -0.810 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.614 3.387 -1.834 1.00 0.00 H new ATOM 0 HB2 ALA A 97 7.598 2.258 -2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 97 7.859 3.915 -3.356 1.00 0.00 H new ATOM 1435 N PHE A 98 6.781 5.357 0.102 1.00 0.00 N ATOM 1436 CA PHE A 98 6.920 6.673 0.703 1.00 0.00 C ATOM 1437 C PHE A 98 8.204 6.765 1.530 1.00 0.00 C ATOM 1438 O PHE A 98 8.487 5.886 2.343 1.00 0.00 O ATOM 1439 CB PHE A 98 5.717 6.873 1.626 1.00 0.00 C ATOM 1440 CG PHE A 98 5.898 6.275 3.023 1.00 0.00 C ATOM 1441 CD1 PHE A 98 6.744 6.864 3.910 1.00 0.00 C ATOM 1442 CD2 PHE A 98 5.213 5.155 3.377 1.00 0.00 C ATOM 1443 CE1 PHE A 98 6.913 6.309 5.206 1.00 0.00 C ATOM 1444 CE2 PHE A 98 5.382 4.600 4.674 1.00 0.00 C ATOM 1445 CZ PHE A 98 6.228 5.189 5.561 1.00 0.00 C ATOM 0 H PHE A 98 6.808 4.581 0.764 1.00 0.00 H new ATOM 0 HA PHE A 98 6.966 7.435 -0.076 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.519 7.941 1.722 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.838 6.426 1.162 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.287 7.754 3.629 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.541 4.688 2.673 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.586 6.776 5.910 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.838 3.710 4.956 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.356 4.767 6.547 1.00 0.00 H new ATOM 1455 N ASN A 99 8.946 7.837 1.295 1.00 0.00 N ATOM 1456 CA ASN A 99 10.193 8.055 2.008 1.00 0.00 C ATOM 1457 C ASN A 99 10.151 9.423 2.692 1.00 0.00 C ATOM 1458 O ASN A 99 9.173 10.158 2.561 1.00 0.00 O ATOM 1459 CB ASN A 99 11.385 8.042 1.050 1.00 0.00 C ATOM 1460 CG ASN A 99 11.158 8.999 -0.122 1.00 0.00 C ATOM 1461 OD1 ASN A 99 10.589 10.069 0.018 1.00 0.00 O ATOM 1462 ND2 ASN A 99 11.634 8.556 -1.282 1.00 0.00 N ATOM 0 H ASN A 99 8.708 8.564 0.621 1.00 0.00 H new ATOM 0 HA ASN A 99 10.309 7.254 2.738 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.290 8.327 1.586 1.00 0.00 H new ATOM 0 HB3 ASN A 99 11.542 7.031 0.673 1.00 0.00 H new ATOM 0 HD21 ASN A 99 11.533 9.122 -2.124 1.00 0.00 H new ATOM 0 HD22 ASN A 99 12.100 7.650 -1.329 1.00 0.00 H new ATOM 1469 N ARG A 100 11.225 9.725 3.407 1.00 0.00 N ATOM 1470 CA ARG A 100 11.323 10.992 4.112 1.00 0.00 C ATOM 1471 C ARG A 100 11.384 12.151 3.115 1.00 0.00 C ATOM 1472 O ARG A 100 11.232 13.310 3.495 1.00 0.00 O ATOM 1473 CB ARG A 100 12.566 11.031 5.004 1.00 0.00 C ATOM 1474 CG ARG A 100 12.209 10.700 6.455 1.00 0.00 C ATOM 1475 CD ARG A 100 11.782 11.958 7.215 1.00 0.00 C ATOM 1476 NE ARG A 100 12.944 12.544 7.918 1.00 0.00 N ATOM 1477 CZ ARG A 100 12.882 13.637 8.691 1.00 0.00 C ATOM 1478 NH1 ARG A 100 11.714 14.269 8.864 1.00 0.00 N ATOM 1479 NH2 ARG A 100 13.989 14.097 9.291 1.00 0.00 N ATOM 0 H ARG A 100 12.035 9.114 3.513 1.00 0.00 H new ATOM 0 HA ARG A 100 10.436 11.092 4.738 1.00 0.00 H new ATOM 0 HB2 ARG A 100 13.305 10.319 4.636 1.00 0.00 H new ATOM 0 HB3 ARG A 100 13.023 12.019 4.954 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.403 9.966 6.477 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.067 10.245 6.950 1.00 0.00 H new ATOM 0 HD2 ARG A 100 11.361 12.686 6.522 1.00 0.00 H new ATOM 0 HD3 ARG A 100 10.999 11.711 7.932 1.00 0.00 H new ATOM 0 HE ARG A 100 13.849 12.088 7.807 1.00 0.00 H new ATOM 0 HH11 ARG A 100 10.872 13.918 8.407 1.00 0.00 H new ATOM 0 HH12 ARG A 100 11.667 15.101 9.452 1.00 0.00 H new ATOM 0 HH21 ARG A 100 14.878 13.615 9.159 1.00 0.00 H new ATOM 0 HH22 ARG A 100 13.942 14.929 9.879 1.00 0.00 H new ATOM 1493 N ALA A 101 11.606 11.796 1.857 1.00 0.00 N ATOM 1494 CA ALA A 101 11.688 12.792 0.803 1.00 0.00 C ATOM 1495 C ALA A 101 10.277 13.154 0.337 1.00 0.00 C ATOM 1496 O ALA A 101 10.055 14.239 -0.199 1.00 0.00 O ATOM 1497 CB ALA A 101 12.559 12.258 -0.337 1.00 0.00 C ATOM 0 H ALA A 101 11.731 10.833 1.545 1.00 0.00 H new ATOM 0 HA ALA A 101 12.157 13.704 1.173 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.621 13.005 -1.128 1.00 0.00 H new ATOM 0 HB2 ALA A 101 13.559 12.044 0.039 1.00 0.00 H new ATOM 0 HB3 ALA A 101 12.118 11.344 -0.735 1.00 0.00 H new ATOM 1503 N GLY A 102 9.358 12.225 0.559 1.00 0.00 N ATOM 1504 CA GLY A 102 7.974 12.433 0.169 1.00 0.00 C ATOM 1505 C GLY A 102 7.293 11.104 -0.162 1.00 0.00 C ATOM 1506 O GLY A 102 7.684 10.056 0.351 1.00 0.00 O ATOM 0 H GLY A 102 9.545 11.327 1.004 1.00 0.00 H new ATOM 0 HA2 GLY A 102 7.436 12.931 0.976 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.932 13.093 -0.697 1.00 0.00 H new ATOM 1510 N THR A 103 6.285 11.189 -1.018 1.00 0.00 N ATOM 1511 CA THR A 103 5.545 10.006 -1.424 1.00 0.00 C ATOM 1512 C THR A 103 5.536 9.881 -2.949 1.00 0.00 C ATOM 1513 O THR A 103 5.457 10.883 -3.658 1.00 0.00 O ATOM 1514 CB THR A 103 4.146 10.091 -0.813 1.00 0.00 C ATOM 1515 OG1 THR A 103 4.372 10.581 0.506 1.00 0.00 O ATOM 1516 CG2 THR A 103 3.517 8.713 -0.596 1.00 0.00 C ATOM 0 H THR A 103 5.963 12.059 -1.442 1.00 0.00 H new ATOM 0 HA THR A 103 6.020 9.096 -1.057 1.00 0.00 H new ATOM 0 HB THR A 103 3.503 10.686 -1.461 1.00 0.00 H new ATOM 0 HG1 THR A 103 3.515 10.668 0.974 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.525 8.830 -0.160 1.00 0.00 H new ATOM 0 HG22 THR A 103 3.435 8.196 -1.552 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.143 8.130 0.079 1.00 0.00 H new ATOM 1524 N GLY A 104 5.618 8.641 -3.409 1.00 0.00 N ATOM 1525 CA GLY A 104 5.619 8.371 -4.837 1.00 0.00 C ATOM 1526 C GLY A 104 4.194 8.185 -5.362 1.00 0.00 C ATOM 1527 O GLY A 104 3.228 8.390 -4.629 1.00 0.00 O ATOM 0 H GLY A 104 5.684 7.812 -2.818 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.100 9.194 -5.366 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.205 7.475 -5.041 1.00 0.00 H new ATOM 1531 N PRO A 105 4.107 7.787 -6.659 1.00 0.00 N ATOM 1532 CA PRO A 105 2.816 7.570 -7.290 1.00 0.00 C ATOM 1533 C PRO A 105 2.184 6.262 -6.810 1.00 0.00 C ATOM 1534 O PRO A 105 2.870 5.401 -6.260 1.00 0.00 O ATOM 1535 CB PRO A 105 3.102 7.579 -8.783 1.00 0.00 C ATOM 1536 CG PRO A 105 4.595 7.335 -8.923 1.00 0.00 C ATOM 1537 CD PRO A 105 5.230 7.533 -7.556 1.00 0.00 C ATOM 0 HA PRO A 105 2.087 8.339 -7.033 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.530 6.805 -9.295 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.819 8.532 -9.229 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.784 6.326 -9.289 1.00 0.00 H new ATOM 0 HG3 PRO A 105 5.028 8.024 -9.648 1.00 0.00 H new ATOM 0 HD2 PRO A 105 5.791 6.650 -7.248 1.00 0.00 H new ATOM 0 HD3 PRO A 105 5.929 8.369 -7.562 1.00 0.00 H new ATOM 1545 N SER A 106 0.883 6.153 -7.035 1.00 0.00 N ATOM 1546 CA SER A 106 0.150 4.965 -6.632 1.00 0.00 C ATOM 1547 C SER A 106 0.230 3.903 -7.732 1.00 0.00 C ATOM 1548 O SER A 106 0.339 4.234 -8.912 1.00 0.00 O ATOM 1549 CB SER A 106 -1.310 5.297 -6.321 1.00 0.00 C ATOM 1550 OG SER A 106 -1.991 5.829 -7.454 1.00 0.00 O ATOM 0 H SER A 106 0.317 6.868 -7.492 1.00 0.00 H new ATOM 0 HA SER A 106 0.607 4.574 -5.723 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.822 4.397 -5.981 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.352 6.016 -5.503 1.00 0.00 H new ATOM 0 HG SER A 106 -2.921 6.026 -7.214 1.00 0.00 H new ATOM 1556 N SER A 107 0.173 2.650 -7.305 1.00 0.00 N ATOM 1557 CA SER A 107 0.237 1.538 -8.239 1.00 0.00 C ATOM 1558 C SER A 107 -1.155 1.248 -8.804 1.00 0.00 C ATOM 1559 O SER A 107 -2.152 1.769 -8.306 1.00 0.00 O ATOM 1560 CB SER A 107 0.809 0.288 -7.567 1.00 0.00 C ATOM 1561 OG SER A 107 -0.084 -0.253 -6.597 1.00 0.00 O ATOM 0 H SER A 107 0.083 2.380 -6.325 1.00 0.00 H new ATOM 0 HA SER A 107 0.903 1.815 -9.057 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.021 -0.466 -8.325 1.00 0.00 H new ATOM 0 HB3 SER A 107 1.757 0.535 -7.089 1.00 0.00 H new ATOM 0 HG SER A 107 -0.777 -0.779 -7.048 1.00 0.00 H new ATOM 1567 N SER A 108 -1.178 0.418 -9.836 1.00 0.00 N ATOM 1568 CA SER A 108 -2.431 0.052 -10.474 1.00 0.00 C ATOM 1569 C SER A 108 -3.368 -0.598 -9.454 1.00 0.00 C ATOM 1570 O SER A 108 -3.040 -1.634 -8.877 1.00 0.00 O ATOM 1571 CB SER A 108 -2.193 -0.893 -11.654 1.00 0.00 C ATOM 1572 OG SER A 108 -0.807 -1.042 -11.947 1.00 0.00 O ATOM 0 H SER A 108 -0.349 -0.012 -10.246 1.00 0.00 H new ATOM 0 HA SER A 108 -2.897 0.960 -10.858 1.00 0.00 H new ATOM 0 HB2 SER A 108 -2.623 -1.869 -11.429 1.00 0.00 H new ATOM 0 HB3 SER A 108 -2.711 -0.512 -12.534 1.00 0.00 H new ATOM 0 HG SER A 108 -0.697 -1.654 -12.705 1.00 0.00 H new ATOM 1578 N GLU A 109 -4.514 0.037 -9.261 1.00 0.00 N ATOM 1579 CA GLU A 109 -5.501 -0.467 -8.321 1.00 0.00 C ATOM 1580 C GLU A 109 -6.063 -1.804 -8.807 1.00 0.00 C ATOM 1581 O GLU A 109 -6.759 -1.858 -9.819 1.00 0.00 O ATOM 1582 CB GLU A 109 -6.621 0.552 -8.102 1.00 0.00 C ATOM 1583 CG GLU A 109 -7.635 0.040 -7.078 1.00 0.00 C ATOM 1584 CD GLU A 109 -8.996 0.714 -7.270 1.00 0.00 C ATOM 1585 OE1 GLU A 109 -9.371 0.910 -8.446 1.00 0.00 O ATOM 1586 OE2 GLU A 109 -9.630 1.017 -6.236 1.00 0.00 O ATOM 0 H GLU A 109 -4.782 0.897 -9.740 1.00 0.00 H new ATOM 0 HA GLU A 109 -5.010 -0.629 -7.361 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -6.197 1.496 -7.759 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -7.124 0.754 -9.048 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -7.743 -1.040 -7.176 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -7.268 0.233 -6.070 1.00 0.00 H new ATOM 1593 N ILE A 110 -5.740 -2.851 -8.062 1.00 0.00 N ATOM 1594 CA ILE A 110 -6.204 -4.185 -8.404 1.00 0.00 C ATOM 1595 C ILE A 110 -7.559 -4.435 -7.739 1.00 0.00 C ATOM 1596 O ILE A 110 -8.224 -3.496 -7.305 1.00 0.00 O ATOM 1597 CB ILE A 110 -5.144 -5.229 -8.050 1.00 0.00 C ATOM 1598 CG1 ILE A 110 -3.769 -4.578 -7.878 1.00 0.00 C ATOM 1599 CG2 ILE A 110 -5.118 -6.358 -9.082 1.00 0.00 C ATOM 1600 CD1 ILE A 110 -3.514 -4.214 -6.414 1.00 0.00 C ATOM 0 H ILE A 110 -5.162 -2.803 -7.223 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.355 -4.271 -9.480 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.412 -5.675 -7.092 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.994 -5.260 -8.227 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -3.707 -3.682 -8.495 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.355 -7.086 -8.806 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -6.092 -6.846 -9.112 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.888 -5.947 -10.065 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -2.531 -3.753 -6.320 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -4.277 -3.513 -6.075 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.552 -5.116 -5.803 1.00 0.00 H new ATOM 1612 N ASN A 111 -7.928 -5.706 -7.681 1.00 0.00 N ATOM 1613 CA ASN A 111 -9.192 -6.091 -7.076 1.00 0.00 C ATOM 1614 C ASN A 111 -9.078 -7.515 -6.528 1.00 0.00 C ATOM 1615 O ASN A 111 -8.546 -8.400 -7.197 1.00 0.00 O ATOM 1616 CB ASN A 111 -10.324 -6.071 -8.105 1.00 0.00 C ATOM 1617 CG ASN A 111 -9.946 -6.872 -9.353 1.00 0.00 C ATOM 1618 OD1 ASN A 111 -9.123 -6.466 -10.157 1.00 0.00 O ATOM 1619 ND2 ASN A 111 -10.591 -8.029 -9.468 1.00 0.00 N ATOM 0 H ASN A 111 -7.374 -6.482 -8.043 1.00 0.00 H new ATOM 0 HA ASN A 111 -9.415 -5.380 -6.280 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -11.230 -6.486 -7.663 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -10.549 -5.041 -8.384 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -10.409 -8.637 -10.266 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.268 -8.308 -8.758 1.00 0.00 H new ATOM 1626 N ALA A 112 -9.584 -7.692 -5.317 1.00 0.00 N ATOM 1627 CA ALA A 112 -9.545 -8.993 -4.671 1.00 0.00 C ATOM 1628 C ALA A 112 -10.746 -9.128 -3.733 1.00 0.00 C ATOM 1629 O ALA A 112 -10.674 -8.740 -2.568 1.00 0.00 O ATOM 1630 CB ALA A 112 -8.212 -9.161 -3.940 1.00 0.00 C ATOM 0 H ALA A 112 -10.024 -6.955 -4.765 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.613 -9.791 -5.411 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -8.183 -10.137 -3.456 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.393 -9.087 -4.655 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.109 -8.379 -3.187 1.00 0.00 H new ATOM 1636 N THR A 113 -11.822 -9.679 -4.275 1.00 0.00 N ATOM 1637 CA THR A 113 -13.036 -9.870 -3.501 1.00 0.00 C ATOM 1638 C THR A 113 -12.774 -10.809 -2.321 1.00 0.00 C ATOM 1639 O THR A 113 -12.175 -11.870 -2.488 1.00 0.00 O ATOM 1640 CB THR A 113 -14.127 -10.375 -4.448 1.00 0.00 C ATOM 1641 OG1 THR A 113 -14.557 -9.204 -5.137 1.00 0.00 O ATOM 1642 CG2 THR A 113 -15.376 -10.849 -3.703 1.00 0.00 C ATOM 0 H THR A 113 -11.878 -9.999 -5.242 1.00 0.00 H new ATOM 0 HA THR A 113 -13.376 -8.932 -3.061 1.00 0.00 H new ATOM 0 HB THR A 113 -13.733 -11.192 -5.052 1.00 0.00 H new ATOM 0 HG1 THR A 113 -15.264 -9.440 -5.774 1.00 0.00 H new ATOM 0 HG21 THR A 113 -16.118 -11.197 -4.422 1.00 0.00 H new ATOM 0 HG22 THR A 113 -15.111 -11.665 -3.031 1.00 0.00 H new ATOM 0 HG23 THR A 113 -15.790 -10.023 -3.125 1.00 0.00 H new ATOM 1650 N THR A 114 -13.236 -10.383 -1.154 1.00 0.00 N ATOM 1651 CA THR A 114 -13.059 -11.172 0.053 1.00 0.00 C ATOM 1652 C THR A 114 -13.723 -12.542 -0.103 1.00 0.00 C ATOM 1653 O THR A 114 -14.490 -12.761 -1.039 1.00 0.00 O ATOM 1654 CB THR A 114 -13.605 -10.363 1.231 1.00 0.00 C ATOM 1655 OG1 THR A 114 -14.704 -9.644 0.678 1.00 0.00 O ATOM 1656 CG2 THR A 114 -12.638 -9.270 1.690 1.00 0.00 C ATOM 0 H THR A 114 -13.732 -9.502 -1.019 1.00 0.00 H new ATOM 0 HA THR A 114 -12.005 -11.376 0.241 1.00 0.00 H new ATOM 0 HB THR A 114 -13.816 -11.033 2.064 1.00 0.00 H new ATOM 0 HG1 THR A 114 -14.619 -8.694 0.902 1.00 0.00 H new ATOM 0 HG21 THR A 114 -13.075 -8.726 2.528 1.00 0.00 H new ATOM 0 HG22 THR A 114 -11.698 -9.724 2.002 1.00 0.00 H new ATOM 0 HG23 THR A 114 -12.452 -8.580 0.867 1.00 0.00 H new ATOM 1664 N LEU A 115 -13.403 -13.428 0.829 1.00 0.00 N ATOM 1665 CA LEU A 115 -13.958 -14.771 0.806 1.00 0.00 C ATOM 1666 C LEU A 115 -15.469 -14.696 1.033 1.00 0.00 C ATOM 1667 O LEU A 115 -16.008 -13.624 1.305 1.00 0.00 O ATOM 1668 CB LEU A 115 -13.229 -15.669 1.808 1.00 0.00 C ATOM 1669 CG LEU A 115 -11.784 -16.027 1.459 1.00 0.00 C ATOM 1670 CD1 LEU A 115 -11.445 -15.609 0.026 1.00 0.00 C ATOM 1671 CD2 LEU A 115 -10.809 -15.429 2.476 1.00 0.00 C ATOM 0 H LEU A 115 -12.767 -13.242 1.604 1.00 0.00 H new ATOM 0 HA LEU A 115 -13.804 -15.231 -0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -13.236 -15.176 2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -13.796 -16.594 1.916 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.680 -17.111 1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -10.412 -15.875 -0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -12.109 -16.122 -0.669 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -11.572 -14.532 -0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -9.789 -15.699 2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -10.908 -14.344 2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.035 -15.818 3.469 1.00 0.00 H new