USER MOD reduce.3.24.130724 H: found=0, std=0, add=1003, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1005 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 67 SER OG : rot -84:sc= 1.28 USER MOD Set 1.2: B 42 THR OG1 : rot 78:sc= 1.26 USER MOD Set 2.1: A 65 LYS NZ :NH3+ -117:sc= 0.995 (180deg=-0.406) USER MOD Set 2.2: B 61 THR OG1 : rot 4:sc= 2.18 USER MOD Single : A 8 SER OG : rot 180:sc= 0.243 USER MOD Single : A 9 ASN : amide:sc= -0.233 K(o=-0.23,f=-7.2!) USER MOD Single : A 14 LYS NZ :NH3+ -154:sc= 2.32 (180deg=1.7) USER MOD Single : A 17 GLN : amide:sc= 0.676 K(o=0.68,f=-0.036) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0161 USER MOD Single : A 35 MET CE :methyl 158:sc= -0.0566 (180deg=-0.801) USER MOD Single : A 36 CYS SG : rot 75:sc= -1.33 USER MOD Single : A 39 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 42 THR OG1 : rot 81:sc= 1.16 USER MOD Single : A 43 ASN : amide:sc= -0.0196 X(o=-0.02,f=0) USER MOD Single : A 47 GLN : amide:sc= -1.16 X(o=-1.2,f=-1.1) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc=-0.00439 K(o=-0.0044,f=-1.1) USER MOD Single : A 61 THR OG1 : rot -80:sc= 1.03 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.743 K(o=-0.74,f=-1.7!) USER MOD Single : B 8 SER OG : rot 22:sc= 0.26 USER MOD Single : B 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 LYS NZ :NH3+ 179:sc= 2.13 (180deg=2.05) USER MOD Single : B 17 GLN : amide:sc= 0.483 K(o=0.48,f=-0.066) USER MOD Single : B 25 LYS NZ :NH3+ -151:sc= 1.27 (180deg=1.21) USER MOD Single : B 29 THR OG1 : rot 83:sc= 0.138 USER MOD Single : B 35 MET CE :methyl 158:sc= -0.14 (180deg=-0.893) USER MOD Single : B 36 CYS SG : rot 76:sc= 1.08 USER MOD Single : B 39 ASN : amide:sc= 1.16 K(o=1.2,f=-0.01) USER MOD Single : B 43 ASN : amide:sc= -0.214 K(o=-0.21,f=-0.85) USER MOD Single : B 47 GLN : amide:sc= -0.371 X(o=-0.37,f=-0.54) USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 52 LYS NZ :NH3+ 170:sc= 1.28 (180deg=1.13) USER MOD Single : B 59 ASN : amide:sc= 1.15 K(o=1.2,f=-0.027) USER MOD Single : B 62 LYS NZ :NH3+ 168:sc= -0.0121 (180deg=-0.156) USER MOD Single : B 65 LYS NZ :NH3+ 159:sc= 1.22 (180deg=0.808) USER MOD Single : B 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 67 SER OG : rot 77:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 123 N SER A 8 -16.736 -9.555 -0.367 1.00 0.00 N ATOM 124 CA SER A 8 -17.889 -8.685 -0.454 1.00 0.00 C ATOM 125 C SER A 8 -17.410 -7.242 -0.476 1.00 0.00 C ATOM 126 O SER A 8 -16.307 -6.948 -0.009 1.00 0.00 O ATOM 127 CB SER A 8 -18.840 -8.918 0.726 1.00 0.00 C ATOM 128 OG SER A 8 -18.219 -8.602 1.962 1.00 0.00 O ATOM 0 HA SER A 8 -18.440 -8.905 -1.368 1.00 0.00 H new ATOM 0 HB2 SER A 8 -19.735 -8.308 0.600 1.00 0.00 H new ATOM 0 HB3 SER A 8 -19.163 -9.959 0.735 1.00 0.00 H new ATOM 0 HG SER A 8 -18.850 -8.759 2.695 1.00 0.00 H new ATOM 134 N ASN A 9 -18.223 -6.354 -1.029 1.00 0.00 N ATOM 135 CA ASN A 9 -17.894 -4.932 -1.064 1.00 0.00 C ATOM 136 C ASN A 9 -17.665 -4.395 0.347 1.00 0.00 C ATOM 137 O ASN A 9 -16.800 -3.545 0.562 1.00 0.00 O ATOM 138 CB ASN A 9 -18.991 -4.137 -1.792 1.00 0.00 C ATOM 139 CG ASN A 9 -20.402 -4.584 -1.439 1.00 0.00 C ATOM 140 OD1 ASN A 9 -20.682 -5.004 -0.314 1.00 0.00 O ATOM 141 ND2 ASN A 9 -21.296 -4.529 -2.411 1.00 0.00 N ATOM 0 H ASN A 9 -19.116 -6.591 -1.461 1.00 0.00 H new ATOM 0 HA ASN A 9 -16.966 -4.808 -1.622 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -18.883 -3.080 -1.551 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -18.846 -4.235 -2.868 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -22.253 -4.840 -2.242 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -21.029 -4.176 -3.330 1.00 0.00 H new ATOM 148 N GLU A 10 -18.427 -4.920 1.303 1.00 0.00 N ATOM 149 CA GLU A 10 -18.244 -4.581 2.709 1.00 0.00 C ATOM 150 C GLU A 10 -16.847 -4.957 3.180 1.00 0.00 C ATOM 151 O GLU A 10 -16.128 -4.128 3.733 1.00 0.00 O ATOM 152 CB GLU A 10 -19.264 -5.311 3.575 1.00 0.00 C ATOM 153 CG GLU A 10 -20.702 -4.932 3.293 1.00 0.00 C ATOM 154 CD GLU A 10 -21.659 -5.669 4.198 1.00 0.00 C ATOM 155 OE1 GLU A 10 -21.765 -5.296 5.385 1.00 0.00 O ATOM 156 OE2 GLU A 10 -22.290 -6.642 3.739 1.00 0.00 O ATOM 0 H GLU A 10 -19.180 -5.585 1.127 1.00 0.00 H new ATOM 0 HA GLU A 10 -18.383 -3.504 2.806 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -19.147 -6.385 3.427 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -19.045 -5.108 4.623 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -20.829 -3.858 3.427 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -20.940 -5.154 2.253 1.00 0.00 H new ATOM 163 N ARG A 11 -16.477 -6.215 2.950 1.00 0.00 N ATOM 164 CA ARG A 11 -15.190 -6.743 3.393 1.00 0.00 C ATOM 165 C ARG A 11 -14.043 -5.879 2.884 1.00 0.00 C ATOM 166 O ARG A 11 -13.132 -5.538 3.636 1.00 0.00 O ATOM 167 CB ARG A 11 -15.017 -8.181 2.894 1.00 0.00 C ATOM 168 CG ARG A 11 -13.775 -8.884 3.427 1.00 0.00 C ATOM 169 CD ARG A 11 -13.858 -9.111 4.928 1.00 0.00 C ATOM 170 NE ARG A 11 -12.783 -9.976 5.411 1.00 0.00 N ATOM 171 CZ ARG A 11 -12.589 -10.287 6.693 1.00 0.00 C ATOM 172 NH1 ARG A 11 -13.368 -9.772 7.640 1.00 0.00 N ATOM 173 NH2 ARG A 11 -11.611 -11.114 7.032 1.00 0.00 N ATOM 0 H ARG A 11 -17.057 -6.892 2.455 1.00 0.00 H new ATOM 0 HA ARG A 11 -15.172 -6.732 4.483 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -15.897 -8.759 3.176 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -14.976 -8.173 1.805 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.653 -9.841 2.920 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.892 -8.287 3.197 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.810 -8.152 5.443 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -14.821 -9.558 5.174 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.140 -10.367 4.723 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.122 -9.133 7.388 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.211 -10.016 8.618 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.007 -11.512 6.313 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.462 -11.353 8.012 1.00 0.00 H new ATOM 187 N VAL A 12 -14.110 -5.514 1.607 1.00 0.00 N ATOM 188 CA VAL A 12 -13.063 -4.714 0.984 1.00 0.00 C ATOM 189 C VAL A 12 -12.944 -3.346 1.651 1.00 0.00 C ATOM 190 O VAL A 12 -11.886 -2.993 2.169 1.00 0.00 O ATOM 191 CB VAL A 12 -13.316 -4.528 -0.531 1.00 0.00 C ATOM 192 CG1 VAL A 12 -12.183 -3.738 -1.174 1.00 0.00 C ATOM 193 CG2 VAL A 12 -13.487 -5.874 -1.219 1.00 0.00 C ATOM 0 H VAL A 12 -14.879 -5.760 0.984 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.128 -5.258 1.118 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.240 -3.963 -0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -12.381 -3.619 -2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.113 -2.756 -0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.243 -4.273 -1.037 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.664 -5.719 -2.283 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -12.584 -6.469 -1.084 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.336 -6.400 -0.783 1.00 0.00 H new ATOM 203 N GLU A 13 -14.040 -2.593 1.664 1.00 0.00 N ATOM 204 CA GLU A 13 -14.024 -1.240 2.213 1.00 0.00 C ATOM 205 C GLU A 13 -13.716 -1.247 3.709 1.00 0.00 C ATOM 206 O GLU A 13 -13.089 -0.323 4.223 1.00 0.00 O ATOM 207 CB GLU A 13 -15.356 -0.535 1.968 1.00 0.00 C ATOM 208 CG GLU A 13 -15.709 -0.382 0.498 1.00 0.00 C ATOM 209 CD GLU A 13 -16.911 0.512 0.288 1.00 0.00 C ATOM 210 OE1 GLU A 13 -18.027 0.122 0.691 1.00 0.00 O ATOM 211 OE2 GLU A 13 -16.747 1.617 -0.271 1.00 0.00 O ATOM 0 H GLU A 13 -14.945 -2.894 1.303 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.233 -0.695 1.699 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.149 -1.093 2.466 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.324 0.452 2.429 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.854 0.030 -0.038 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.910 -1.364 0.070 1.00 0.00 H new ATOM 218 N LYS A 14 -14.154 -2.292 4.398 1.00 0.00 N ATOM 219 CA LYS A 14 -13.927 -2.415 5.831 1.00 0.00 C ATOM 220 C LYS A 14 -12.431 -2.499 6.124 1.00 0.00 C ATOM 221 O LYS A 14 -11.916 -1.773 6.978 1.00 0.00 O ATOM 222 CB LYS A 14 -14.658 -3.651 6.372 1.00 0.00 C ATOM 223 CG LYS A 14 -14.709 -3.745 7.892 1.00 0.00 C ATOM 224 CD LYS A 14 -13.399 -4.240 8.481 1.00 0.00 C ATOM 225 CE LYS A 14 -13.461 -4.301 9.995 1.00 0.00 C ATOM 226 NZ LYS A 14 -12.200 -4.815 10.583 1.00 0.00 N ATOM 0 H LYS A 14 -14.670 -3.069 3.986 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.323 -1.531 6.332 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -15.678 -3.651 5.987 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.170 -4.545 5.982 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -14.945 -2.765 8.307 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.515 -4.418 8.186 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.171 -5.229 8.085 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.588 -3.579 8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.666 -3.306 10.390 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.290 -4.941 10.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.400 -5.251 11.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.785 -5.525 9.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.530 -4.029 10.709 1.00 0.00 H new ATOM 240 N ILE A 15 -11.739 -3.379 5.409 1.00 0.00 N ATOM 241 CA ILE A 15 -10.307 -3.558 5.602 1.00 0.00 C ATOM 242 C ILE A 15 -9.564 -2.263 5.288 1.00 0.00 C ATOM 243 O ILE A 15 -8.669 -1.853 6.027 1.00 0.00 O ATOM 244 CB ILE A 15 -9.760 -4.708 4.728 1.00 0.00 C ATOM 245 CG1 ILE A 15 -10.456 -6.024 5.092 1.00 0.00 C ATOM 246 CG2 ILE A 15 -8.252 -4.842 4.894 1.00 0.00 C ATOM 247 CD1 ILE A 15 -10.057 -7.189 4.211 1.00 0.00 C ATOM 0 H ILE A 15 -12.147 -3.978 4.692 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.142 -3.821 6.647 1.00 0.00 H new ATOM 0 HB ILE A 15 -9.968 -4.477 3.683 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -10.228 -6.270 6.129 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -11.535 -5.884 5.027 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.888 -5.658 4.269 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.769 -3.912 4.594 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.018 -5.052 5.938 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.590 -8.085 4.529 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -10.310 -6.965 3.175 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.983 -7.357 4.294 1.00 0.00 H new ATOM 259 N ILE A 16 -9.967 -1.608 4.206 1.00 0.00 N ATOM 260 CA ILE A 16 -9.390 -0.328 3.828 1.00 0.00 C ATOM 261 C ILE A 16 -9.613 0.707 4.928 1.00 0.00 C ATOM 262 O ILE A 16 -8.678 1.390 5.347 1.00 0.00 O ATOM 263 CB ILE A 16 -10.000 0.190 2.510 1.00 0.00 C ATOM 264 CG1 ILE A 16 -9.806 -0.838 1.393 1.00 0.00 C ATOM 265 CG2 ILE A 16 -9.376 1.523 2.122 1.00 0.00 C ATOM 266 CD1 ILE A 16 -10.564 -0.508 0.125 1.00 0.00 C ATOM 0 H ILE A 16 -10.694 -1.945 3.574 1.00 0.00 H new ATOM 0 HA ILE A 16 -8.320 -0.480 3.685 1.00 0.00 H new ATOM 0 HB ILE A 16 -11.069 0.341 2.659 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.744 -0.914 1.162 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -10.125 -1.817 1.752 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.818 1.874 1.190 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -9.561 2.254 2.909 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.302 1.397 1.989 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.378 -1.280 -0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -11.631 -0.461 0.341 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.229 0.455 -0.259 1.00 0.00 H new ATOM 278 N GLN A 17 -10.849 0.798 5.406 1.00 0.00 N ATOM 279 CA GLN A 17 -11.208 1.756 6.448 1.00 0.00 C ATOM 280 C GLN A 17 -10.410 1.512 7.727 1.00 0.00 C ATOM 281 O GLN A 17 -9.969 2.459 8.379 1.00 0.00 O ATOM 282 CB GLN A 17 -12.708 1.680 6.745 1.00 0.00 C ATOM 283 CG GLN A 17 -13.171 2.618 7.850 1.00 0.00 C ATOM 284 CD GLN A 17 -12.946 4.082 7.519 1.00 0.00 C ATOM 285 OE1 GLN A 17 -13.811 4.738 6.937 1.00 0.00 O ATOM 286 NE2 GLN A 17 -11.790 4.608 7.889 1.00 0.00 N ATOM 0 H GLN A 17 -11.624 0.217 5.087 1.00 0.00 H new ATOM 0 HA GLN A 17 -10.964 2.753 6.082 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -13.260 1.909 5.834 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.961 0.657 7.022 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -14.232 2.453 8.038 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.642 2.374 8.771 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.098 4.032 8.369 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.590 5.589 7.694 1.00 0.00 H new ATOM 295 N ASP A 18 -10.224 0.246 8.077 1.00 0.00 N ATOM 296 CA ASP A 18 -9.484 -0.112 9.284 1.00 0.00 C ATOM 297 C ASP A 18 -8.029 0.341 9.153 1.00 0.00 C ATOM 298 O ASP A 18 -7.448 0.902 10.087 1.00 0.00 O ATOM 299 CB ASP A 18 -9.550 -1.623 9.519 1.00 0.00 C ATOM 300 CG ASP A 18 -9.645 -1.990 10.989 1.00 0.00 C ATOM 301 OD1 ASP A 18 -8.983 -1.340 11.825 1.00 0.00 O ATOM 302 OD2 ASP A 18 -10.407 -2.932 11.320 1.00 0.00 O ATOM 0 H ASP A 18 -10.574 -0.550 7.544 1.00 0.00 H new ATOM 0 HA ASP A 18 -9.936 0.390 10.139 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.413 -2.030 8.992 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -8.664 -2.091 9.090 1.00 0.00 H new ATOM 307 N LEU A 19 -7.458 0.114 7.971 1.00 0.00 N ATOM 308 CA LEU A 19 -6.102 0.566 7.667 1.00 0.00 C ATOM 309 C LEU A 19 -6.024 2.090 7.722 1.00 0.00 C ATOM 310 O LEU A 19 -5.093 2.657 8.295 1.00 0.00 O ATOM 311 CB LEU A 19 -5.676 0.078 6.279 1.00 0.00 C ATOM 312 CG LEU A 19 -5.590 -1.442 6.111 1.00 0.00 C ATOM 313 CD1 LEU A 19 -5.359 -1.805 4.651 1.00 0.00 C ATOM 314 CD2 LEU A 19 -4.478 -2.013 6.976 1.00 0.00 C ATOM 0 H LEU A 19 -7.916 -0.382 7.206 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.427 0.149 8.414 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.380 0.468 5.544 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.702 0.507 6.046 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.537 -1.875 6.432 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.300 -2.889 4.550 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.185 -1.429 4.047 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.426 -1.358 4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.432 -3.094 6.843 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.526 -1.571 6.683 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.677 -1.784 8.023 1.00 0.00 H new ATOM 326 N LEU A 20 -7.016 2.744 7.122 1.00 0.00 N ATOM 327 CA LEU A 20 -7.092 4.201 7.121 1.00 0.00 C ATOM 328 C LEU A 20 -7.177 4.734 8.545 1.00 0.00 C ATOM 329 O LEU A 20 -6.571 5.750 8.868 1.00 0.00 O ATOM 330 CB LEU A 20 -8.306 4.678 6.320 1.00 0.00 C ATOM 331 CG LEU A 20 -8.283 4.332 4.830 1.00 0.00 C ATOM 332 CD1 LEU A 20 -9.596 4.731 4.176 1.00 0.00 C ATOM 333 CD2 LEU A 20 -7.112 5.018 4.139 1.00 0.00 C ATOM 0 H LEU A 20 -7.781 2.284 6.628 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.186 4.584 6.652 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.204 4.247 6.762 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.387 5.760 6.424 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.157 3.254 4.727 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.566 4.479 3.116 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.417 4.196 4.653 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.748 5.804 4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.112 4.760 3.080 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.207 6.098 4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.178 4.688 4.593 1.00 0.00 H new ATOM 345 N ASP A 21 -7.925 4.029 9.388 1.00 0.00 N ATOM 346 CA ASP A 21 -8.076 4.403 10.793 1.00 0.00 C ATOM 347 C ASP A 21 -6.722 4.479 11.472 1.00 0.00 C ATOM 348 O ASP A 21 -6.427 5.443 12.175 1.00 0.00 O ATOM 349 CB ASP A 21 -8.951 3.390 11.526 1.00 0.00 C ATOM 350 CG ASP A 21 -9.159 3.736 12.987 1.00 0.00 C ATOM 351 OD1 ASP A 21 -9.745 4.802 13.270 1.00 0.00 O ATOM 352 OD2 ASP A 21 -8.753 2.938 13.861 1.00 0.00 O ATOM 0 H ASP A 21 -8.440 3.190 9.122 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.552 5.383 10.830 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.920 3.330 11.031 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.494 2.403 11.453 1.00 0.00 H new ATOM 357 N VAL A 22 -5.895 3.463 11.240 1.00 0.00 N ATOM 358 CA VAL A 22 -4.545 3.434 11.791 1.00 0.00 C ATOM 359 C VAL A 22 -3.756 4.663 11.346 1.00 0.00 C ATOM 360 O VAL A 22 -3.084 5.309 12.150 1.00 0.00 O ATOM 361 CB VAL A 22 -3.784 2.159 11.361 1.00 0.00 C ATOM 362 CG1 VAL A 22 -2.371 2.152 11.924 1.00 0.00 C ATOM 363 CG2 VAL A 22 -4.541 0.916 11.798 1.00 0.00 C ATOM 0 H VAL A 22 -6.137 2.650 10.674 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.641 3.434 12.877 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.713 2.156 10.273 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.857 1.244 11.607 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.829 3.023 11.557 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.413 2.183 13.013 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.992 0.027 11.487 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.646 0.917 12.883 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.529 0.911 11.338 1.00 0.00 H new ATOM 373 N LEU A 23 -3.868 4.987 10.063 1.00 0.00 N ATOM 374 CA LEU A 23 -3.171 6.131 9.487 1.00 0.00 C ATOM 375 C LEU A 23 -3.681 7.444 10.078 1.00 0.00 C ATOM 376 O LEU A 23 -2.896 8.287 10.515 1.00 0.00 O ATOM 377 CB LEU A 23 -3.341 6.145 7.966 1.00 0.00 C ATOM 378 CG LEU A 23 -2.750 4.939 7.232 1.00 0.00 C ATOM 379 CD1 LEU A 23 -3.082 5.002 5.748 1.00 0.00 C ATOM 380 CD2 LEU A 23 -1.243 4.872 7.436 1.00 0.00 C ATOM 0 H LEU A 23 -4.440 4.468 9.397 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.113 6.034 9.730 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.405 6.204 7.736 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.879 7.051 7.573 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.194 4.035 7.648 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.654 4.137 5.242 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.164 5.000 5.617 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.666 5.914 5.321 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.842 4.008 6.906 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.783 5.781 7.048 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.024 4.779 8.500 1.00 0.00 H new ATOM 392 N VAL A 24 -4.997 7.610 10.098 1.00 0.00 N ATOM 393 CA VAL A 24 -5.606 8.828 10.615 1.00 0.00 C ATOM 394 C VAL A 24 -5.342 8.975 12.111 1.00 0.00 C ATOM 395 O VAL A 24 -5.112 10.083 12.601 1.00 0.00 O ATOM 396 CB VAL A 24 -7.128 8.856 10.352 1.00 0.00 C ATOM 397 CG1 VAL A 24 -7.749 10.139 10.885 1.00 0.00 C ATOM 398 CG2 VAL A 24 -7.418 8.706 8.867 1.00 0.00 C ATOM 0 H VAL A 24 -5.664 6.915 9.762 1.00 0.00 H new ATOM 0 HA VAL A 24 -5.149 9.665 10.087 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.576 8.014 10.881 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.821 10.134 10.687 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.579 10.207 11.959 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.293 10.997 10.391 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.495 8.728 8.703 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -6.951 9.525 8.320 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.016 7.757 8.512 1.00 0.00 H new ATOM 408 N LYS A 25 -5.359 7.857 12.829 1.00 0.00 N ATOM 409 CA LYS A 25 -5.105 7.866 14.271 1.00 0.00 C ATOM 410 C LYS A 25 -3.652 8.240 14.588 1.00 0.00 C ATOM 411 O LYS A 25 -3.302 8.486 15.743 1.00 0.00 O ATOM 412 CB LYS A 25 -5.444 6.499 14.869 1.00 0.00 C ATOM 413 CG LYS A 25 -5.658 6.516 16.375 1.00 0.00 C ATOM 414 CD LYS A 25 -6.134 5.164 16.873 1.00 0.00 C ATOM 415 CE LYS A 25 -6.585 5.221 18.321 1.00 0.00 C ATOM 416 NZ LYS A 25 -7.195 3.939 18.760 1.00 0.00 N ATOM 0 H LYS A 25 -5.545 6.933 12.440 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.745 8.626 14.720 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.345 6.118 14.389 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.639 5.802 14.635 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.727 6.784 16.875 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.390 7.281 16.633 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.958 4.817 16.250 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.329 4.436 16.772 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.732 5.455 18.958 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.307 6.028 18.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.490 4.018 19.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.024 3.728 18.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.498 3.173 18.665 1.00 0.00 H new ATOM 430 N GLU A 26 -2.806 8.270 13.566 1.00 0.00 N ATOM 431 CA GLU A 26 -1.424 8.703 13.729 1.00 0.00 C ATOM 432 C GLU A 26 -1.247 10.137 13.240 1.00 0.00 C ATOM 433 O GLU A 26 -0.186 10.736 13.426 1.00 0.00 O ATOM 434 CB GLU A 26 -0.475 7.789 12.953 1.00 0.00 C ATOM 435 CG GLU A 26 -0.387 6.370 13.493 1.00 0.00 C ATOM 436 CD GLU A 26 0.243 6.305 14.866 1.00 0.00 C ATOM 437 OE1 GLU A 26 1.199 7.066 15.129 1.00 0.00 O ATOM 438 OE2 GLU A 26 -0.220 5.494 15.695 1.00 0.00 O ATOM 0 H GLU A 26 -3.053 7.999 12.614 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.185 8.652 14.791 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.798 7.749 11.913 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.522 8.230 12.961 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.388 5.940 13.536 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.193 5.758 12.802 1.00 0.00 H new ATOM 445 N GLU A 27 -2.300 10.683 12.628 1.00 0.00 N ATOM 446 CA GLU A 27 -2.238 11.995 11.981 1.00 0.00 C ATOM 447 C GLU A 27 -1.120 12.028 10.941 1.00 0.00 C ATOM 448 O GLU A 27 -0.416 13.028 10.803 1.00 0.00 O ATOM 449 CB GLU A 27 -2.028 13.127 13.002 1.00 0.00 C ATOM 450 CG GLU A 27 -3.227 13.409 13.896 1.00 0.00 C ATOM 451 CD GLU A 27 -3.374 12.422 15.033 1.00 0.00 C ATOM 452 OE1 GLU A 27 -2.432 12.303 15.844 1.00 0.00 O ATOM 453 OE2 GLU A 27 -4.446 11.791 15.146 1.00 0.00 O ATOM 0 H GLU A 27 -3.213 10.232 12.567 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.197 12.156 11.488 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.174 12.876 13.631 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.771 14.040 12.464 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.136 14.414 14.307 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.134 13.393 13.291 1.00 0.00 H new ATOM 460 N VAL A 28 -0.977 10.936 10.199 1.00 0.00 N ATOM 461 CA VAL A 28 0.087 10.817 9.210 1.00 0.00 C ATOM 462 C VAL A 28 -0.078 11.832 8.084 1.00 0.00 C ATOM 463 O VAL A 28 -1.197 12.181 7.698 1.00 0.00 O ATOM 464 CB VAL A 28 0.153 9.401 8.592 1.00 0.00 C ATOM 465 CG1 VAL A 28 0.428 8.356 9.660 1.00 0.00 C ATOM 466 CG2 VAL A 28 -1.127 9.070 7.835 1.00 0.00 C ATOM 0 H VAL A 28 -1.585 10.120 10.264 1.00 0.00 H new ATOM 0 HA VAL A 28 1.015 11.014 9.746 1.00 0.00 H new ATOM 0 HB VAL A 28 0.978 9.389 7.880 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.470 7.368 9.201 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.381 8.572 10.144 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.369 8.377 10.403 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.051 8.068 7.412 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.975 9.112 8.519 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.272 9.793 7.032 1.00 0.00 H new ATOM 476 N THR A 29 1.041 12.314 7.573 1.00 0.00 N ATOM 477 CA THR A 29 1.036 13.153 6.396 1.00 0.00 C ATOM 478 C THR A 29 0.984 12.269 5.155 1.00 0.00 C ATOM 479 O THR A 29 1.309 11.082 5.228 1.00 0.00 O ATOM 480 CB THR A 29 2.289 14.051 6.348 1.00 0.00 C ATOM 481 OG1 THR A 29 3.465 13.255 6.532 1.00 0.00 O ATOM 482 CG2 THR A 29 2.223 15.136 7.416 1.00 0.00 C ATOM 0 H THR A 29 1.968 12.135 7.960 1.00 0.00 H new ATOM 0 HA THR A 29 0.160 13.801 6.431 1.00 0.00 H new ATOM 0 HB THR A 29 2.328 14.534 5.372 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.258 13.830 6.499 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.118 15.756 7.361 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.342 15.756 7.251 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.162 14.674 8.401 1.00 0.00 H new ATOM 490 N PRO A 30 0.559 12.813 4.009 1.00 0.00 N ATOM 491 CA PRO A 30 0.501 12.059 2.754 1.00 0.00 C ATOM 492 C PRO A 30 1.840 11.401 2.413 1.00 0.00 C ATOM 493 O PRO A 30 1.893 10.229 2.042 1.00 0.00 O ATOM 494 CB PRO A 30 0.144 13.118 1.706 1.00 0.00 C ATOM 495 CG PRO A 30 0.329 14.438 2.380 1.00 0.00 C ATOM 496 CD PRO A 30 0.095 14.193 3.840 1.00 0.00 C ATOM 0 HA PRO A 30 -0.217 11.241 2.807 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.787 13.033 0.830 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.883 12.996 1.361 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.332 14.828 2.206 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.372 15.176 1.991 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.656 14.889 4.463 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -0.956 14.303 4.107 1.00 0.00 H new ATOM 504 N ASP A 31 2.917 12.164 2.566 1.00 0.00 N ATOM 505 CA ASP A 31 4.265 11.679 2.272 1.00 0.00 C ATOM 506 C ASP A 31 4.654 10.566 3.241 1.00 0.00 C ATOM 507 O ASP A 31 5.217 9.544 2.840 1.00 0.00 O ATOM 508 CB ASP A 31 5.276 12.831 2.360 1.00 0.00 C ATOM 509 CG ASP A 31 4.883 14.027 1.505 1.00 0.00 C ATOM 510 OD1 ASP A 31 3.999 14.800 1.934 1.00 0.00 O ATOM 511 OD2 ASP A 31 5.463 14.212 0.409 1.00 0.00 O ATOM 0 H ASP A 31 2.884 13.129 2.895 1.00 0.00 H new ATOM 0 HA ASP A 31 4.274 11.279 1.258 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.369 13.148 3.399 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.257 12.473 2.047 1.00 0.00 H new ATOM 516 N LEU A 32 4.336 10.767 4.520 1.00 0.00 N ATOM 517 CA LEU A 32 4.613 9.773 5.552 1.00 0.00 C ATOM 518 C LEU A 32 3.846 8.485 5.281 1.00 0.00 C ATOM 519 O LEU A 32 4.404 7.390 5.373 1.00 0.00 O ATOM 520 CB LEU A 32 4.232 10.321 6.933 1.00 0.00 C ATOM 521 CG LEU A 32 4.333 9.328 8.095 1.00 0.00 C ATOM 522 CD1 LEU A 32 5.764 8.859 8.282 1.00 0.00 C ATOM 523 CD2 LEU A 32 3.807 9.959 9.374 1.00 0.00 C ATOM 0 H LEU A 32 3.884 11.614 4.865 1.00 0.00 H new ATOM 0 HA LEU A 32 5.681 9.554 5.535 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.872 11.175 7.153 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.209 10.693 6.886 1.00 0.00 H new ATOM 0 HG LEU A 32 3.721 8.458 7.857 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.810 8.155 9.113 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.108 8.369 7.371 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.403 9.716 8.497 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.885 9.243 10.192 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.395 10.845 9.611 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.763 10.242 9.238 1.00 0.00 H new ATOM 535 N ALA A 33 2.570 8.625 4.938 1.00 0.00 N ATOM 536 CA ALA A 33 1.718 7.475 4.680 1.00 0.00 C ATOM 537 C ALA A 33 2.283 6.622 3.557 1.00 0.00 C ATOM 538 O ALA A 33 2.310 5.399 3.656 1.00 0.00 O ATOM 539 CB ALA A 33 0.310 7.922 4.343 1.00 0.00 C ATOM 0 H ALA A 33 2.104 9.526 4.833 1.00 0.00 H new ATOM 0 HA ALA A 33 1.685 6.869 5.586 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.313 7.048 4.153 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.102 8.487 5.179 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.331 8.553 3.454 1.00 0.00 H new ATOM 545 N LEU A 34 2.753 7.277 2.503 1.00 0.00 N ATOM 546 CA LEU A 34 3.333 6.577 1.366 1.00 0.00 C ATOM 547 C LEU A 34 4.552 5.770 1.791 1.00 0.00 C ATOM 548 O LEU A 34 4.735 4.634 1.356 1.00 0.00 O ATOM 549 CB LEU A 34 3.718 7.565 0.265 1.00 0.00 C ATOM 550 CG LEU A 34 2.549 8.330 -0.356 1.00 0.00 C ATOM 551 CD1 LEU A 34 3.049 9.268 -1.441 1.00 0.00 C ATOM 552 CD2 LEU A 34 1.513 7.366 -0.918 1.00 0.00 C ATOM 0 H LEU A 34 2.743 8.293 2.413 1.00 0.00 H new ATOM 0 HA LEU A 34 2.581 5.891 0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.426 8.285 0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.237 7.022 -0.525 1.00 0.00 H new ATOM 0 HG LEU A 34 2.073 8.924 0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.206 9.806 -1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.752 9.981 -1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.549 8.691 -2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.690 7.931 -1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.974 6.744 -1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.133 6.732 -0.117 1.00 0.00 H new ATOM 564 N MET A 35 5.369 6.350 2.659 1.00 0.00 N ATOM 565 CA MET A 35 6.567 5.674 3.140 1.00 0.00 C ATOM 566 C MET A 35 6.196 4.423 3.943 1.00 0.00 C ATOM 567 O MET A 35 6.825 3.372 3.800 1.00 0.00 O ATOM 568 CB MET A 35 7.418 6.629 3.984 1.00 0.00 C ATOM 569 CG MET A 35 8.702 6.002 4.510 1.00 0.00 C ATOM 570 SD MET A 35 9.816 7.198 5.271 1.00 0.00 S ATOM 571 CE MET A 35 8.777 7.872 6.564 1.00 0.00 C ATOM 0 H MET A 35 5.226 7.284 3.044 1.00 0.00 H new ATOM 0 HA MET A 35 7.156 5.361 2.278 1.00 0.00 H new ATOM 0 HB2 MET A 35 7.670 7.503 3.384 1.00 0.00 H new ATOM 0 HB3 MET A 35 6.824 6.982 4.827 1.00 0.00 H new ATOM 0 HG2 MET A 35 8.451 5.233 5.241 1.00 0.00 H new ATOM 0 HG3 MET A 35 9.219 5.505 3.689 1.00 0.00 H new ATOM 0 HE1 MET A 35 9.402 8.310 7.342 1.00 0.00 H new ATOM 0 HE2 MET A 35 8.127 8.640 6.145 1.00 0.00 H new ATOM 0 HE3 MET A 35 8.168 7.076 6.994 1.00 0.00 H new ATOM 581 N CYS A 36 5.165 4.536 4.771 1.00 0.00 N ATOM 582 CA CYS A 36 4.690 3.400 5.553 1.00 0.00 C ATOM 583 C CYS A 36 4.024 2.358 4.656 1.00 0.00 C ATOM 584 O CYS A 36 4.357 1.174 4.714 1.00 0.00 O ATOM 585 CB CYS A 36 3.711 3.869 6.632 1.00 0.00 C ATOM 586 SG CYS A 36 4.434 5.001 7.843 1.00 0.00 S ATOM 0 H CYS A 36 4.643 5.400 4.919 1.00 0.00 H new ATOM 0 HA CYS A 36 5.552 2.937 6.034 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.865 4.360 6.151 1.00 0.00 H new ATOM 0 HB3 CYS A 36 3.318 2.997 7.155 1.00 0.00 H new ATOM 0 HG CYS A 36 4.584 6.175 7.304 1.00 0.00 H new ATOM 592 N LEU A 37 3.103 2.812 3.813 1.00 0.00 N ATOM 593 CA LEU A 37 2.359 1.924 2.923 1.00 0.00 C ATOM 594 C LEU A 37 3.294 1.195 1.964 1.00 0.00 C ATOM 595 O LEU A 37 3.129 0.003 1.723 1.00 0.00 O ATOM 596 CB LEU A 37 1.309 2.713 2.134 1.00 0.00 C ATOM 597 CG LEU A 37 0.172 3.306 2.974 1.00 0.00 C ATOM 598 CD1 LEU A 37 -0.694 4.229 2.131 1.00 0.00 C ATOM 599 CD2 LEU A 37 -0.676 2.197 3.582 1.00 0.00 C ATOM 0 H LEU A 37 2.852 3.797 3.726 1.00 0.00 H new ATOM 0 HA LEU A 37 1.855 1.180 3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.809 3.524 1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.877 2.057 1.378 1.00 0.00 H new ATOM 0 HG LEU A 37 0.614 3.890 3.782 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.495 4.639 2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.084 5.043 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.125 3.667 1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.478 2.636 4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.105 1.589 2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.053 1.571 4.221 1.00 0.00 H new ATOM 611 N GLY A 38 4.282 1.912 1.439 1.00 0.00 N ATOM 612 CA GLY A 38 5.225 1.320 0.503 1.00 0.00 C ATOM 613 C GLY A 38 5.939 0.114 1.080 1.00 0.00 C ATOM 614 O GLY A 38 6.125 -0.895 0.396 1.00 0.00 O ATOM 0 H GLY A 38 4.448 2.897 1.645 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.695 1.025 -0.403 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.962 2.069 0.212 1.00 0.00 H new ATOM 618 N ASN A 39 6.326 0.208 2.344 1.00 0.00 N ATOM 619 CA ASN A 39 7.003 -0.896 3.008 1.00 0.00 C ATOM 620 C ASN A 39 6.008 -1.987 3.373 1.00 0.00 C ATOM 621 O ASN A 39 6.329 -3.170 3.312 1.00 0.00 O ATOM 622 CB ASN A 39 7.751 -0.420 4.256 1.00 0.00 C ATOM 623 CG ASN A 39 9.053 0.290 3.927 1.00 0.00 C ATOM 624 OD1 ASN A 39 10.098 -0.345 3.780 1.00 0.00 O ATOM 625 ND2 ASN A 39 9.007 1.610 3.821 1.00 0.00 N ATOM 0 H ASN A 39 6.184 1.032 2.927 1.00 0.00 H new ATOM 0 HA ASN A 39 7.736 -1.305 2.312 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.109 0.253 4.824 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.961 -1.276 4.897 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.856 2.135 3.611 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.122 2.101 3.949 1.00 0.00 H new ATOM 632 N ALA A 40 4.795 -1.580 3.736 1.00 0.00 N ATOM 633 CA ALA A 40 3.739 -2.528 4.084 1.00 0.00 C ATOM 634 C ALA A 40 3.389 -3.413 2.890 1.00 0.00 C ATOM 635 O ALA A 40 3.278 -4.634 3.023 1.00 0.00 O ATOM 636 CB ALA A 40 2.504 -1.790 4.584 1.00 0.00 C ATOM 0 H ALA A 40 4.518 -0.600 3.797 1.00 0.00 H new ATOM 0 HA ALA A 40 4.106 -3.169 4.885 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.727 -2.511 4.839 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.762 -1.207 5.468 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.138 -1.123 3.803 1.00 0.00 H new ATOM 642 N VAL A 41 3.230 -2.790 1.725 1.00 0.00 N ATOM 643 CA VAL A 41 2.945 -3.521 0.496 1.00 0.00 C ATOM 644 C VAL A 41 4.078 -4.496 0.189 1.00 0.00 C ATOM 645 O VAL A 41 3.847 -5.691 0.011 1.00 0.00 O ATOM 646 CB VAL A 41 2.749 -2.574 -0.713 1.00 0.00 C ATOM 647 CG1 VAL A 41 2.445 -3.363 -1.978 1.00 0.00 C ATOM 648 CG2 VAL A 41 1.640 -1.568 -0.445 1.00 0.00 C ATOM 0 H VAL A 41 3.294 -1.779 1.608 1.00 0.00 H new ATOM 0 HA VAL A 41 2.014 -4.065 0.656 1.00 0.00 H new ATOM 0 HB VAL A 41 3.682 -2.029 -0.859 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.312 -2.675 -2.813 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.273 -4.038 -2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.532 -3.942 -1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.524 -0.915 -1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.705 -2.097 -0.262 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.895 -0.969 0.429 1.00 0.00 H new ATOM 658 N THR A 42 5.302 -3.981 0.166 1.00 0.00 N ATOM 659 CA THR A 42 6.473 -4.785 -0.149 1.00 0.00 C ATOM 660 C THR A 42 6.638 -5.939 0.842 1.00 0.00 C ATOM 661 O THR A 42 7.055 -7.040 0.470 1.00 0.00 O ATOM 662 CB THR A 42 7.747 -3.918 -0.138 1.00 0.00 C ATOM 663 OG1 THR A 42 7.581 -2.793 -1.013 1.00 0.00 O ATOM 664 CG2 THR A 42 8.962 -4.723 -0.573 1.00 0.00 C ATOM 0 H THR A 42 5.508 -3.002 0.364 1.00 0.00 H new ATOM 0 HA THR A 42 6.324 -5.198 -1.147 1.00 0.00 H new ATOM 0 HB THR A 42 7.909 -3.570 0.882 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.068 -2.095 -0.555 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.846 -4.086 -0.556 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.106 -5.562 0.108 1.00 0.00 H new ATOM 0 HG23 THR A 42 8.806 -5.100 -1.584 1.00 0.00 H new ATOM 672 N ASN A 43 6.289 -5.683 2.097 1.00 0.00 N ATOM 673 CA ASN A 43 6.449 -6.665 3.161 1.00 0.00 C ATOM 674 C ASN A 43 5.644 -7.930 2.881 1.00 0.00 C ATOM 675 O ASN A 43 6.108 -9.036 3.155 1.00 0.00 O ATOM 676 CB ASN A 43 6.040 -6.062 4.509 1.00 0.00 C ATOM 677 CG ASN A 43 6.227 -7.027 5.665 1.00 0.00 C ATOM 678 OD1 ASN A 43 7.316 -7.131 6.229 1.00 0.00 O ATOM 679 ND2 ASN A 43 5.165 -7.722 6.043 1.00 0.00 N ATOM 0 H ASN A 43 5.890 -4.796 2.404 1.00 0.00 H new ATOM 0 HA ASN A 43 7.502 -6.943 3.201 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.628 -5.163 4.693 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.995 -5.755 4.463 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.233 -8.371 6.827 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.279 -7.608 5.550 1.00 0.00 H new ATOM 686 N ILE A 44 4.448 -7.778 2.322 1.00 0.00 N ATOM 687 CA ILE A 44 3.615 -8.940 2.040 1.00 0.00 C ATOM 688 C ILE A 44 3.918 -9.505 0.648 1.00 0.00 C ATOM 689 O ILE A 44 3.728 -10.693 0.404 1.00 0.00 O ATOM 690 CB ILE A 44 2.100 -8.639 2.195 1.00 0.00 C ATOM 691 CG1 ILE A 44 1.312 -9.952 2.279 1.00 0.00 C ATOM 692 CG2 ILE A 44 1.580 -7.782 1.043 1.00 0.00 C ATOM 693 CD1 ILE A 44 -0.151 -9.766 2.620 1.00 0.00 C ATOM 0 H ILE A 44 4.040 -6.881 2.060 1.00 0.00 H new ATOM 0 HA ILE A 44 3.865 -9.695 2.785 1.00 0.00 H new ATOM 0 HB ILE A 44 1.960 -8.075 3.117 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.390 -10.473 1.325 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.772 -10.593 3.031 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.516 -7.590 1.183 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.120 -6.835 1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.733 -8.308 0.101 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.641 -10.739 2.661 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.239 -9.274 3.589 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.627 -9.152 1.856 1.00 0.00 H new ATOM 705 N ILE A 45 4.426 -8.662 -0.252 1.00 0.00 N ATOM 706 CA ILE A 45 4.834 -9.123 -1.581 1.00 0.00 C ATOM 707 C ILE A 45 6.011 -10.092 -1.466 1.00 0.00 C ATOM 708 O ILE A 45 6.140 -11.037 -2.246 1.00 0.00 O ATOM 709 CB ILE A 45 5.217 -7.943 -2.509 1.00 0.00 C ATOM 710 CG1 ILE A 45 3.997 -7.061 -2.778 1.00 0.00 C ATOM 711 CG2 ILE A 45 5.800 -8.449 -3.822 1.00 0.00 C ATOM 712 CD1 ILE A 45 4.281 -5.904 -3.715 1.00 0.00 C ATOM 0 H ILE A 45 4.564 -7.665 -0.088 1.00 0.00 H new ATOM 0 HA ILE A 45 3.980 -9.635 -2.025 1.00 0.00 H new ATOM 0 HB ILE A 45 5.978 -7.348 -2.004 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.202 -7.674 -3.202 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.627 -6.669 -1.831 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.061 -7.601 -4.455 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.694 -9.039 -3.620 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.063 -9.070 -4.332 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.371 -5.322 -3.860 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.054 -5.268 -3.284 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.622 -6.289 -4.676 1.00 0.00 H new ATOM 724 N ALA A 46 6.855 -9.864 -0.467 1.00 0.00 N ATOM 725 CA ALA A 46 7.990 -10.743 -0.210 1.00 0.00 C ATOM 726 C ALA A 46 7.525 -12.092 0.330 1.00 0.00 C ATOM 727 O ALA A 46 8.272 -13.065 0.325 1.00 0.00 O ATOM 728 CB ALA A 46 8.960 -10.090 0.760 1.00 0.00 C ATOM 0 H ALA A 46 6.775 -9.078 0.178 1.00 0.00 H new ATOM 0 HA ALA A 46 8.505 -10.915 -1.155 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.801 -10.760 0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.326 -9.155 0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.451 -9.886 1.702 1.00 0.00 H new ATOM 734 N GLN A 47 6.283 -12.141 0.793 1.00 0.00 N ATOM 735 CA GLN A 47 5.698 -13.374 1.303 1.00 0.00 C ATOM 736 C GLN A 47 5.091 -14.174 0.153 1.00 0.00 C ATOM 737 O GLN A 47 4.827 -15.373 0.271 1.00 0.00 O ATOM 738 CB GLN A 47 4.630 -13.045 2.352 1.00 0.00 C ATOM 739 CG GLN A 47 5.158 -12.188 3.491 1.00 0.00 C ATOM 740 CD GLN A 47 4.067 -11.723 4.433 1.00 0.00 C ATOM 741 OE1 GLN A 47 3.066 -12.407 4.636 1.00 0.00 O ATOM 742 NE2 GLN A 47 4.247 -10.543 4.999 1.00 0.00 N ATOM 0 H GLN A 47 5.658 -11.336 0.826 1.00 0.00 H new ATOM 0 HA GLN A 47 6.475 -13.976 1.773 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.802 -12.527 1.869 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.230 -13.974 2.759 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.899 -12.756 4.053 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.669 -11.319 3.078 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.093 -10.007 4.804 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.540 -10.168 5.632 1.00 0.00 H new ATOM 751 N VAL A 48 4.891 -13.491 -0.965 1.00 0.00 N ATOM 752 CA VAL A 48 4.330 -14.094 -2.164 1.00 0.00 C ATOM 753 C VAL A 48 5.442 -14.730 -2.998 1.00 0.00 C ATOM 754 O VAL A 48 6.516 -14.149 -3.132 1.00 0.00 O ATOM 755 CB VAL A 48 3.597 -13.023 -3.007 1.00 0.00 C ATOM 756 CG1 VAL A 48 2.857 -13.646 -4.178 1.00 0.00 C ATOM 757 CG2 VAL A 48 2.645 -12.214 -2.139 1.00 0.00 C ATOM 0 H VAL A 48 5.114 -12.501 -1.066 1.00 0.00 H new ATOM 0 HA VAL A 48 3.617 -14.864 -1.867 1.00 0.00 H new ATOM 0 HB VAL A 48 4.352 -12.350 -3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.354 -12.865 -4.748 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.567 -14.165 -4.822 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.119 -14.356 -3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.140 -11.467 -2.751 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.905 -12.879 -1.694 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.207 -11.716 -1.349 1.00 0.00 H new ATOM 767 N PRO A 49 5.217 -15.937 -3.547 1.00 0.00 N ATOM 768 CA PRO A 49 6.218 -16.632 -4.369 1.00 0.00 C ATOM 769 C PRO A 49 6.602 -15.839 -5.620 1.00 0.00 C ATOM 770 O PRO A 49 5.767 -15.143 -6.206 1.00 0.00 O ATOM 771 CB PRO A 49 5.528 -17.947 -4.752 1.00 0.00 C ATOM 772 CG PRO A 49 4.074 -17.705 -4.537 1.00 0.00 C ATOM 773 CD PRO A 49 3.979 -16.722 -3.408 1.00 0.00 C ATOM 0 HA PRO A 49 7.154 -16.774 -3.829 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.734 -18.211 -5.789 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.885 -18.772 -4.136 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.607 -17.309 -5.439 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.557 -18.632 -4.291 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.092 -16.095 -3.493 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.925 -17.222 -2.441 1.00 0.00 H new ATOM 781 N GLU A 50 7.865 -15.972 -6.030 1.00 0.00 N ATOM 782 CA GLU A 50 8.426 -15.216 -7.156 1.00 0.00 C ATOM 783 C GLU A 50 7.599 -15.375 -8.430 1.00 0.00 C ATOM 784 O GLU A 50 7.514 -14.448 -9.235 1.00 0.00 O ATOM 785 CB GLU A 50 9.865 -15.657 -7.423 1.00 0.00 C ATOM 786 CG GLU A 50 10.842 -15.246 -6.336 1.00 0.00 C ATOM 787 CD GLU A 50 11.663 -14.025 -6.714 1.00 0.00 C ATOM 788 OE1 GLU A 50 12.577 -14.165 -7.552 1.00 0.00 O ATOM 789 OE2 GLU A 50 11.412 -12.931 -6.159 1.00 0.00 O ATOM 0 H GLU A 50 8.531 -16.608 -5.591 1.00 0.00 H new ATOM 0 HA GLU A 50 8.406 -14.163 -6.876 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.889 -16.742 -7.530 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.194 -15.236 -8.373 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.291 -15.038 -5.418 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.513 -16.078 -6.123 1.00 0.00 H new ATOM 796 N SER A 51 6.987 -16.547 -8.589 1.00 0.00 N ATOM 797 CA SER A 51 6.182 -16.862 -9.767 1.00 0.00 C ATOM 798 C SER A 51 5.156 -15.765 -10.072 1.00 0.00 C ATOM 799 O SER A 51 4.841 -15.503 -11.234 1.00 0.00 O ATOM 800 CB SER A 51 5.475 -18.205 -9.563 1.00 0.00 C ATOM 801 OG SER A 51 4.832 -18.641 -10.751 1.00 0.00 O ATOM 0 H SER A 51 7.035 -17.303 -7.906 1.00 0.00 H new ATOM 0 HA SER A 51 6.853 -16.925 -10.624 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.200 -18.954 -9.245 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.740 -18.113 -8.763 1.00 0.00 H new ATOM 0 HG SER A 51 4.392 -19.501 -10.588 1.00 0.00 H new ATOM 807 N LYS A 52 4.634 -15.124 -9.031 1.00 0.00 N ATOM 808 CA LYS A 52 3.704 -14.020 -9.223 1.00 0.00 C ATOM 809 C LYS A 52 4.155 -12.774 -8.460 1.00 0.00 C ATOM 810 O LYS A 52 3.492 -11.746 -8.511 1.00 0.00 O ATOM 811 CB LYS A 52 2.279 -14.407 -8.804 1.00 0.00 C ATOM 812 CG LYS A 52 2.153 -14.868 -7.358 1.00 0.00 C ATOM 813 CD LYS A 52 0.754 -14.612 -6.812 1.00 0.00 C ATOM 814 CE LYS A 52 -0.319 -15.353 -7.599 1.00 0.00 C ATOM 815 NZ LYS A 52 -0.452 -16.767 -7.168 1.00 0.00 N ATOM 0 H LYS A 52 4.837 -15.348 -8.057 1.00 0.00 H new ATOM 0 HA LYS A 52 3.698 -13.790 -10.288 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.623 -13.551 -8.958 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.924 -15.203 -9.459 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.382 -15.932 -7.293 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.886 -14.346 -6.743 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.712 -14.920 -5.767 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.547 -13.542 -6.838 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.275 -14.845 -7.474 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.077 -15.320 -8.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.193 -17.233 -7.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.452 -17.260 -7.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.709 -16.800 -6.161 1.00 0.00 H new ATOM 829 N ARG A 53 5.291 -12.861 -7.777 1.00 0.00 N ATOM 830 CA ARG A 53 5.799 -11.747 -6.975 1.00 0.00 C ATOM 831 C ARG A 53 6.086 -10.526 -7.846 1.00 0.00 C ATOM 832 O ARG A 53 5.710 -9.406 -7.507 1.00 0.00 O ATOM 833 CB ARG A 53 7.068 -12.173 -6.236 1.00 0.00 C ATOM 834 CG ARG A 53 7.708 -11.071 -5.410 1.00 0.00 C ATOM 835 CD ARG A 53 8.967 -11.561 -4.711 1.00 0.00 C ATOM 836 NE ARG A 53 8.675 -12.516 -3.639 1.00 0.00 N ATOM 837 CZ ARG A 53 9.568 -13.364 -3.123 1.00 0.00 C ATOM 838 NH1 ARG A 53 10.773 -13.476 -3.653 1.00 0.00 N ATOM 839 NH2 ARG A 53 9.239 -14.141 -2.104 1.00 0.00 N ATOM 0 H ARG A 53 5.881 -13.693 -7.761 1.00 0.00 H new ATOM 0 HA ARG A 53 5.033 -11.473 -6.250 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.829 -13.011 -5.581 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.795 -12.535 -6.964 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.953 -10.227 -6.055 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.996 -10.710 -4.668 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.626 -12.030 -5.442 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.505 -10.708 -4.297 1.00 0.00 H new ATOM 0 HE ARG A 53 7.727 -12.534 -3.262 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.028 -12.912 -4.464 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.448 -14.127 -3.252 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.300 -14.094 -1.709 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.925 -14.787 -1.713 1.00 0.00 H new ATOM 853 N VAL A 54 6.747 -10.747 -8.971 1.00 0.00 N ATOM 854 CA VAL A 54 7.058 -9.656 -9.883 1.00 0.00 C ATOM 855 C VAL A 54 5.796 -9.197 -10.610 1.00 0.00 C ATOM 856 O VAL A 54 5.643 -8.022 -10.943 1.00 0.00 O ATOM 857 CB VAL A 54 8.135 -10.064 -10.911 1.00 0.00 C ATOM 858 CG1 VAL A 54 8.509 -8.891 -11.804 1.00 0.00 C ATOM 859 CG2 VAL A 54 9.367 -10.609 -10.205 1.00 0.00 C ATOM 0 H VAL A 54 7.077 -11.664 -9.274 1.00 0.00 H new ATOM 0 HA VAL A 54 7.453 -8.833 -9.288 1.00 0.00 H new ATOM 0 HB VAL A 54 7.719 -10.850 -11.541 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.269 -9.206 -12.519 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.626 -8.547 -12.342 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.901 -8.078 -11.192 1.00 0.00 H new ATOM 0 HG21 VAL A 54 10.115 -10.891 -10.945 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.778 -9.843 -9.547 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.092 -11.484 -9.616 1.00 0.00 H new ATOM 869 N ALA A 55 4.879 -10.129 -10.817 1.00 0.00 N ATOM 870 CA ALA A 55 3.632 -9.838 -11.509 1.00 0.00 C ATOM 871 C ALA A 55 2.720 -8.961 -10.656 1.00 0.00 C ATOM 872 O ALA A 55 2.165 -7.974 -11.141 1.00 0.00 O ATOM 873 CB ALA A 55 2.924 -11.129 -11.885 1.00 0.00 C ATOM 0 H ALA A 55 4.975 -11.098 -10.514 1.00 0.00 H new ATOM 0 HA ALA A 55 3.871 -9.289 -12.420 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.993 -10.896 -12.402 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.565 -11.718 -12.540 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.705 -11.700 -10.983 1.00 0.00 H new ATOM 879 N VAL A 56 2.581 -9.315 -9.382 1.00 0.00 N ATOM 880 CA VAL A 56 1.673 -8.604 -8.488 1.00 0.00 C ATOM 881 C VAL A 56 2.117 -7.162 -8.264 1.00 0.00 C ATOM 882 O VAL A 56 1.283 -6.262 -8.200 1.00 0.00 O ATOM 883 CB VAL A 56 1.501 -9.322 -7.126 1.00 0.00 C ATOM 884 CG1 VAL A 56 0.798 -10.660 -7.310 1.00 0.00 C ATOM 885 CG2 VAL A 56 2.833 -9.514 -6.419 1.00 0.00 C ATOM 0 H VAL A 56 3.084 -10.088 -8.946 1.00 0.00 H new ATOM 0 HA VAL A 56 0.704 -8.598 -8.987 1.00 0.00 H new ATOM 0 HB VAL A 56 0.882 -8.684 -6.496 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.687 -11.149 -6.342 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.186 -10.497 -7.749 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.389 -11.294 -7.971 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.670 -10.021 -5.468 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.493 -10.117 -7.043 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.292 -8.542 -6.238 1.00 0.00 H new ATOM 895 N VAL A 57 3.423 -6.933 -8.173 1.00 0.00 N ATOM 896 CA VAL A 57 3.928 -5.585 -7.953 1.00 0.00 C ATOM 897 C VAL A 57 3.802 -4.744 -9.225 1.00 0.00 C ATOM 898 O VAL A 57 3.534 -3.544 -9.158 1.00 0.00 O ATOM 899 CB VAL A 57 5.393 -5.577 -7.440 1.00 0.00 C ATOM 900 CG1 VAL A 57 6.342 -6.230 -8.433 1.00 0.00 C ATOM 901 CG2 VAL A 57 5.844 -4.160 -7.122 1.00 0.00 C ATOM 0 H VAL A 57 4.141 -7.653 -8.247 1.00 0.00 H new ATOM 0 HA VAL A 57 3.311 -5.141 -7.172 1.00 0.00 H new ATOM 0 HB VAL A 57 5.421 -6.166 -6.523 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.357 -6.204 -8.037 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.042 -7.265 -8.596 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.308 -5.689 -9.379 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.873 -4.177 -6.764 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.783 -3.548 -8.022 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.199 -3.737 -6.352 1.00 0.00 H new ATOM 911 N ASP A 58 3.960 -5.376 -10.385 1.00 0.00 N ATOM 912 CA ASP A 58 3.820 -4.665 -11.652 1.00 0.00 C ATOM 913 C ASP A 58 2.372 -4.267 -11.893 1.00 0.00 C ATOM 914 O ASP A 58 2.092 -3.141 -12.300 1.00 0.00 O ATOM 915 CB ASP A 58 4.336 -5.497 -12.828 1.00 0.00 C ATOM 916 CG ASP A 58 5.828 -5.331 -13.040 1.00 0.00 C ATOM 917 OD1 ASP A 58 6.360 -4.245 -12.719 1.00 0.00 O ATOM 918 OD2 ASP A 58 6.476 -6.273 -13.538 1.00 0.00 O ATOM 0 H ASP A 58 4.182 -6.367 -10.474 1.00 0.00 H new ATOM 0 HA ASP A 58 4.428 -3.763 -11.583 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.111 -6.549 -12.652 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.808 -5.206 -13.736 1.00 0.00 H new ATOM 923 N ASN A 59 1.449 -5.182 -11.627 1.00 0.00 N ATOM 924 CA ASN A 59 0.029 -4.884 -11.774 1.00 0.00 C ATOM 925 C ASN A 59 -0.420 -3.877 -10.721 1.00 0.00 C ATOM 926 O ASN A 59 -1.257 -3.019 -10.992 1.00 0.00 O ATOM 927 CB ASN A 59 -0.819 -6.157 -11.687 1.00 0.00 C ATOM 928 CG ASN A 59 -0.636 -7.068 -12.887 1.00 0.00 C ATOM 929 OD1 ASN A 59 -0.313 -6.616 -13.985 1.00 0.00 O ATOM 930 ND2 ASN A 59 -0.868 -8.359 -12.696 1.00 0.00 N ATOM 0 H ASN A 59 1.655 -6.130 -11.311 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.117 -4.448 -12.762 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.557 -6.701 -10.780 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.870 -5.883 -11.602 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.781 -9.013 -13.474 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.134 -8.698 -11.771 1.00 0.00 H new ATOM 937 N PHE A 60 0.153 -3.980 -9.524 1.00 0.00 N ATOM 938 CA PHE A 60 -0.146 -3.046 -8.442 1.00 0.00 C ATOM 939 C PHE A 60 0.259 -1.632 -8.838 1.00 0.00 C ATOM 940 O PHE A 60 -0.534 -0.693 -8.746 1.00 0.00 O ATOM 941 CB PHE A 60 0.602 -3.454 -7.168 1.00 0.00 C ATOM 942 CG PHE A 60 0.194 -2.684 -5.944 1.00 0.00 C ATOM 943 CD1 PHE A 60 -1.022 -2.926 -5.331 1.00 0.00 C ATOM 944 CD2 PHE A 60 1.032 -1.721 -5.404 1.00 0.00 C ATOM 945 CE1 PHE A 60 -1.397 -2.223 -4.203 1.00 0.00 C ATOM 946 CE2 PHE A 60 0.662 -1.015 -4.276 1.00 0.00 C ATOM 947 CZ PHE A 60 -0.554 -1.267 -3.674 1.00 0.00 C ATOM 0 H PHE A 60 0.829 -4.703 -9.279 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.219 -3.071 -8.252 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.438 -4.516 -6.987 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.672 -3.320 -7.329 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.686 -3.674 -5.739 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.985 -1.520 -5.871 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -2.350 -2.421 -3.735 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.324 -0.267 -3.866 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.845 -0.717 -2.791 1.00 0.00 H new ATOM 957 N THR A 61 1.495 -1.497 -9.295 1.00 0.00 N ATOM 958 CA THR A 61 2.032 -0.203 -9.679 1.00 0.00 C ATOM 959 C THR A 61 1.291 0.366 -10.890 1.00 0.00 C ATOM 960 O THR A 61 1.043 1.572 -10.967 1.00 0.00 O ATOM 961 CB THR A 61 3.545 -0.302 -9.973 1.00 0.00 C ATOM 962 OG1 THR A 61 3.807 -1.404 -10.845 1.00 0.00 O ATOM 963 CG2 THR A 61 4.340 -0.478 -8.688 1.00 0.00 C ATOM 0 H THR A 61 2.147 -2.273 -9.409 1.00 0.00 H new ATOM 0 HA THR A 61 1.885 0.478 -8.841 1.00 0.00 H new ATOM 0 HB THR A 61 3.854 0.627 -10.453 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.817 -2.236 -10.327 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.402 -0.545 -8.924 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.167 0.376 -8.033 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.022 -1.391 -8.185 1.00 0.00 H new ATOM 971 N LYS A 62 0.927 -0.510 -11.821 1.00 0.00 N ATOM 972 CA LYS A 62 0.142 -0.120 -12.985 1.00 0.00 C ATOM 973 C LYS A 62 -1.223 0.414 -12.552 1.00 0.00 C ATOM 974 O LYS A 62 -1.649 1.492 -12.974 1.00 0.00 O ATOM 975 CB LYS A 62 -0.043 -1.319 -13.915 1.00 0.00 C ATOM 976 CG LYS A 62 -0.732 -0.977 -15.224 1.00 0.00 C ATOM 977 CD LYS A 62 0.144 -0.094 -16.096 1.00 0.00 C ATOM 978 CE LYS A 62 -0.561 0.287 -17.389 1.00 0.00 C ATOM 979 NZ LYS A 62 0.340 1.021 -18.316 1.00 0.00 N ATOM 0 H LYS A 62 1.166 -1.501 -11.790 1.00 0.00 H new ATOM 0 HA LYS A 62 0.675 0.668 -13.516 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.933 -1.753 -14.131 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.624 -2.082 -13.398 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.975 -1.895 -15.760 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.674 -0.469 -15.019 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.413 0.809 -15.547 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.073 -0.616 -16.327 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.931 -0.613 -17.879 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.429 0.906 -17.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.178 1.263 -19.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.674 1.893 -17.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.156 0.422 -18.555 1.00 0.00 H new ATOM 993 N ALA A 63 -1.891 -0.348 -11.693 1.00 0.00 N ATOM 994 CA ALA A 63 -3.213 0.014 -11.201 1.00 0.00 C ATOM 995 C ALA A 63 -3.190 1.349 -10.470 1.00 0.00 C ATOM 996 O ALA A 63 -4.120 2.146 -10.600 1.00 0.00 O ATOM 997 CB ALA A 63 -3.755 -1.075 -10.288 1.00 0.00 C ATOM 0 H ALA A 63 -1.534 -1.228 -11.321 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.871 0.116 -12.064 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.744 -0.790 -9.928 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.826 -2.011 -10.841 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.084 -1.205 -9.439 1.00 0.00 H new ATOM 1003 N LEU A 64 -2.131 1.581 -9.697 1.00 0.00 N ATOM 1004 CA LEU A 64 -1.962 2.838 -8.975 1.00 0.00 C ATOM 1005 C LEU A 64 -1.951 4.025 -9.931 1.00 0.00 C ATOM 1006 O LEU A 64 -2.750 4.946 -9.793 1.00 0.00 O ATOM 1007 CB LEU A 64 -0.668 2.823 -8.156 1.00 0.00 C ATOM 1008 CG LEU A 64 -0.720 2.029 -6.848 1.00 0.00 C ATOM 1009 CD1 LEU A 64 0.666 1.935 -6.235 1.00 0.00 C ATOM 1010 CD2 LEU A 64 -1.692 2.677 -5.868 1.00 0.00 C ATOM 0 H LEU A 64 -1.375 0.911 -9.555 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.810 2.944 -8.299 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.129 2.413 -8.777 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.394 3.852 -7.924 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.073 1.022 -7.067 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.615 1.368 -5.305 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.338 1.432 -6.930 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.041 2.937 -6.028 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.716 2.099 -4.944 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.366 3.694 -5.652 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.689 2.701 -6.307 1.00 0.00 H new ATOM 1022 N LYS A 65 -1.059 3.983 -10.917 1.00 0.00 N ATOM 1023 CA LYS A 65 -0.915 5.086 -11.866 1.00 0.00 C ATOM 1024 C LYS A 65 -2.243 5.404 -12.546 1.00 0.00 C ATOM 1025 O LYS A 65 -2.597 6.571 -12.735 1.00 0.00 O ATOM 1026 CB LYS A 65 0.138 4.750 -12.926 1.00 0.00 C ATOM 1027 CG LYS A 65 1.521 4.479 -12.354 1.00 0.00 C ATOM 1028 CD LYS A 65 2.505 4.076 -13.442 1.00 0.00 C ATOM 1029 CE LYS A 65 3.866 3.722 -12.859 1.00 0.00 C ATOM 1030 NZ LYS A 65 4.519 4.888 -12.207 1.00 0.00 N ATOM 0 H LYS A 65 -0.426 3.200 -11.081 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.592 5.963 -11.306 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.191 3.875 -13.487 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.204 5.576 -13.634 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.886 5.370 -11.844 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.458 3.688 -11.607 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.111 3.222 -13.993 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.615 4.893 -14.156 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.750 2.919 -12.131 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.511 3.343 -13.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.401 5.117 -12.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.879 5.707 -12.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.734 4.656 -11.216 1.00 0.00 H new ATOM 1044 N GLN A 66 -2.980 4.359 -12.894 1.00 0.00 N ATOM 1045 CA GLN A 66 -4.255 4.516 -13.578 1.00 0.00 C ATOM 1046 C GLN A 66 -5.297 5.142 -12.654 1.00 0.00 C ATOM 1047 O GLN A 66 -5.935 6.136 -13.007 1.00 0.00 O ATOM 1048 CB GLN A 66 -4.735 3.154 -14.105 1.00 0.00 C ATOM 1049 CG GLN A 66 -5.982 3.225 -14.975 1.00 0.00 C ATOM 1050 CD GLN A 66 -7.272 3.240 -14.178 1.00 0.00 C ATOM 1051 OE1 GLN A 66 -7.368 2.634 -13.111 1.00 0.00 O ATOM 1052 NE2 GLN A 66 -8.259 3.962 -14.678 1.00 0.00 N ATOM 0 H GLN A 66 -2.716 3.391 -12.713 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.118 5.190 -14.424 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.930 2.696 -14.680 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.934 2.499 -13.257 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.935 4.122 -15.593 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.992 2.371 -15.653 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -8.136 4.448 -15.566 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -9.144 4.033 -14.176 1.00 0.00 H new ATOM 1061 N SER A 67 -5.447 4.575 -11.463 1.00 0.00 N ATOM 1062 CA SER A 67 -6.506 4.989 -10.552 1.00 0.00 C ATOM 1063 C SER A 67 -6.224 6.358 -9.939 1.00 0.00 C ATOM 1064 O SER A 67 -7.151 7.093 -9.604 1.00 0.00 O ATOM 1065 CB SER A 67 -6.703 3.938 -9.455 1.00 0.00 C ATOM 1066 OG SER A 67 -5.480 3.633 -8.806 1.00 0.00 O ATOM 0 H SER A 67 -4.850 3.829 -11.106 1.00 0.00 H new ATOM 0 HA SER A 67 -7.426 5.075 -11.130 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.424 4.304 -8.724 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.122 3.031 -9.889 1.00 0.00 H new ATOM 0 HG SER A 67 -4.992 2.961 -9.327 1.00 0.00 H new ATOM 1072 N VAL A 68 -4.949 6.702 -9.795 1.00 0.00 N ATOM 1073 CA VAL A 68 -4.565 7.990 -9.230 1.00 0.00 C ATOM 1074 C VAL A 68 -4.796 9.127 -10.223 1.00 0.00 C ATOM 1075 O VAL A 68 -5.417 10.139 -9.886 1.00 0.00 O ATOM 1076 CB VAL A 68 -3.088 7.986 -8.770 1.00 0.00 C ATOM 1077 CG1 VAL A 68 -2.611 9.394 -8.442 1.00 0.00 C ATOM 1078 CG2 VAL A 68 -2.914 7.081 -7.559 1.00 0.00 C ATOM 0 H VAL A 68 -4.164 6.107 -10.062 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.200 8.156 -8.360 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.482 7.603 -9.591 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.570 9.360 -8.122 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.698 10.023 -9.328 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.224 9.808 -7.641 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.870 7.088 -7.247 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.540 7.442 -6.742 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.208 6.064 -7.819 1.00 0.00 H new ATOM 1088 N LEU A 69 -4.317 8.955 -11.453 1.00 0.00 N ATOM 1089 CA LEU A 69 -4.415 10.015 -12.456 1.00 0.00 C ATOM 1090 C LEU A 69 -5.861 10.265 -12.876 1.00 0.00 C ATOM 1091 O LEU A 69 -6.266 11.410 -13.082 1.00 0.00 O ATOM 1092 CB LEU A 69 -3.551 9.692 -13.682 1.00 0.00 C ATOM 1093 CG LEU A 69 -2.090 10.157 -13.604 1.00 0.00 C ATOM 1094 CD1 LEU A 69 -1.359 9.491 -12.447 1.00 0.00 C ATOM 1095 CD2 LEU A 69 -1.376 9.873 -14.917 1.00 0.00 C ATOM 0 H LEU A 69 -3.862 8.102 -11.778 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.039 10.929 -11.996 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.563 8.613 -13.838 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.012 10.146 -14.559 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.088 11.232 -13.426 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.327 9.841 -12.419 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.854 9.745 -11.510 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.372 8.410 -12.583 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.341 10.208 -14.848 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.398 8.802 -15.119 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.876 10.405 -15.726 1.00 0.00 H new ATOM 1354 N SER B 8 10.212 9.540 12.996 1.00 0.00 N ATOM 1355 CA SER B 8 10.828 8.598 13.917 1.00 0.00 C ATOM 1356 C SER B 8 10.778 7.181 13.355 1.00 0.00 C ATOM 1357 O SER B 8 9.711 6.699 12.968 1.00 0.00 O ATOM 1358 CB SER B 8 10.100 8.656 15.260 1.00 0.00 C ATOM 1359 OG SER B 8 9.957 9.997 15.698 1.00 0.00 O ATOM 0 HA SER B 8 11.874 8.871 14.055 1.00 0.00 H new ATOM 0 HB2 SER B 8 9.118 8.193 15.167 1.00 0.00 H new ATOM 0 HB3 SER B 8 10.653 8.083 16.004 1.00 0.00 H new ATOM 0 HG SER B 8 10.021 10.601 14.929 1.00 0.00 H new ATOM 1365 N ASN B 9 11.927 6.515 13.337 1.00 0.00 N ATOM 1366 CA ASN B 9 12.034 5.168 12.787 1.00 0.00 C ATOM 1367 C ASN B 9 11.093 4.211 13.506 1.00 0.00 C ATOM 1368 O ASN B 9 10.398 3.419 12.870 1.00 0.00 O ATOM 1369 CB ASN B 9 13.473 4.649 12.887 1.00 0.00 C ATOM 1370 CG ASN B 9 14.443 5.416 12.010 1.00 0.00 C ATOM 1371 OD1 ASN B 9 15.014 6.423 12.427 1.00 0.00 O ATOM 1372 ND2 ASN B 9 14.650 4.933 10.795 1.00 0.00 N ATOM 0 H ASN B 9 12.804 6.889 13.700 1.00 0.00 H new ATOM 0 HA ASN B 9 11.750 5.218 11.736 1.00 0.00 H new ATOM 0 HB2 ASN B 9 13.804 4.710 13.924 1.00 0.00 H new ATOM 0 HB3 ASN B 9 13.494 3.596 12.607 1.00 0.00 H new ATOM 0 HD21 ASN B 9 15.304 5.399 10.166 1.00 0.00 H new ATOM 0 HD22 ASN B 9 14.156 4.095 10.488 1.00 0.00 H new ATOM 1379 N GLU B 10 11.063 4.291 14.832 1.00 0.00 N ATOM 1380 CA GLU B 10 10.207 3.416 15.625 1.00 0.00 C ATOM 1381 C GLU B 10 8.727 3.668 15.345 1.00 0.00 C ATOM 1382 O GLU B 10 7.954 2.723 15.196 1.00 0.00 O ATOM 1383 CB GLU B 10 10.485 3.568 17.123 1.00 0.00 C ATOM 1384 CG GLU B 10 11.803 2.953 17.576 1.00 0.00 C ATOM 1385 CD GLU B 10 12.979 3.899 17.460 1.00 0.00 C ATOM 1386 OE1 GLU B 10 13.556 4.017 16.359 1.00 0.00 O ATOM 1387 OE2 GLU B 10 13.341 4.518 18.480 1.00 0.00 O ATOM 0 H GLU B 10 11.619 4.949 15.378 1.00 0.00 H new ATOM 0 HA GLU B 10 10.444 2.394 15.328 1.00 0.00 H new ATOM 0 HB2 GLU B 10 10.485 4.628 17.376 1.00 0.00 H new ATOM 0 HB3 GLU B 10 9.670 3.107 17.682 1.00 0.00 H new ATOM 0 HG2 GLU B 10 11.707 2.630 18.612 1.00 0.00 H new ATOM 0 HG3 GLU B 10 12.003 2.062 16.981 1.00 0.00 H new ATOM 1394 N ARG B 11 8.328 4.931 15.257 1.00 0.00 N ATOM 1395 CA ARG B 11 6.921 5.250 15.041 1.00 0.00 C ATOM 1396 C ARG B 11 6.491 4.899 13.620 1.00 0.00 C ATOM 1397 O ARG B 11 5.394 4.388 13.412 1.00 0.00 O ATOM 1398 CB ARG B 11 6.619 6.720 15.339 1.00 0.00 C ATOM 1399 CG ARG B 11 5.142 7.054 15.186 1.00 0.00 C ATOM 1400 CD ARG B 11 4.804 8.435 15.719 1.00 0.00 C ATOM 1401 NE ARG B 11 3.366 8.695 15.661 1.00 0.00 N ATOM 1402 CZ ARG B 11 2.800 9.854 15.989 1.00 0.00 C ATOM 1403 NH1 ARG B 11 3.538 10.857 16.453 1.00 0.00 N ATOM 1404 NH2 ARG B 11 1.486 9.998 15.874 1.00 0.00 N ATOM 0 H ARG B 11 8.946 5.739 15.330 1.00 0.00 H new ATOM 0 HA ARG B 11 6.345 4.643 15.739 1.00 0.00 H new ATOM 0 HB2 ARG B 11 6.938 6.954 16.355 1.00 0.00 H new ATOM 0 HB3 ARG B 11 7.202 7.351 14.668 1.00 0.00 H new ATOM 0 HG2 ARG B 11 4.866 6.996 14.133 1.00 0.00 H new ATOM 0 HG3 ARG B 11 4.547 6.308 15.713 1.00 0.00 H new ATOM 0 HD2 ARG B 11 5.149 8.523 16.749 1.00 0.00 H new ATOM 0 HD3 ARG B 11 5.335 9.190 15.139 1.00 0.00 H new ATOM 0 HE ARG B 11 2.757 7.939 15.349 1.00 0.00 H new ATOM 0 HH11 ARG B 11 4.546 10.742 16.560 1.00 0.00 H new ATOM 0 HH12 ARG B 11 3.097 11.742 16.702 1.00 0.00 H new ATOM 0 HH21 ARG B 11 0.916 9.223 15.536 1.00 0.00 H new ATOM 0 HH22 ARG B 11 1.046 10.884 16.124 1.00 0.00 H new ATOM 1418 N VAL B 12 7.352 5.166 12.645 1.00 0.00 N ATOM 1419 CA VAL B 12 7.058 4.801 11.263 1.00 0.00 C ATOM 1420 C VAL B 12 6.911 3.285 11.143 1.00 0.00 C ATOM 1421 O VAL B 12 5.975 2.791 10.510 1.00 0.00 O ATOM 1422 CB VAL B 12 8.145 5.310 10.288 1.00 0.00 C ATOM 1423 CG1 VAL B 12 7.904 4.783 8.882 1.00 0.00 C ATOM 1424 CG2 VAL B 12 8.181 6.834 10.281 1.00 0.00 C ATOM 0 H VAL B 12 8.250 5.629 12.782 1.00 0.00 H new ATOM 0 HA VAL B 12 6.119 5.281 10.987 1.00 0.00 H new ATOM 0 HB VAL B 12 9.110 4.937 10.632 1.00 0.00 H new ATOM 0 HG11 VAL B 12 8.682 5.155 8.216 1.00 0.00 H new ATOM 0 HG12 VAL B 12 7.927 3.693 8.893 1.00 0.00 H new ATOM 0 HG13 VAL B 12 6.930 5.122 8.528 1.00 0.00 H new ATOM 0 HG21 VAL B 12 8.951 7.177 9.590 1.00 0.00 H new ATOM 0 HG22 VAL B 12 7.212 7.219 9.964 1.00 0.00 H new ATOM 0 HG23 VAL B 12 8.406 7.197 11.284 1.00 0.00 H new ATOM 1434 N GLU B 13 7.819 2.557 11.787 1.00 0.00 N ATOM 1435 CA GLU B 13 7.751 1.101 11.833 1.00 0.00 C ATOM 1436 C GLU B 13 6.480 0.650 12.547 1.00 0.00 C ATOM 1437 O GLU B 13 5.831 -0.310 12.129 1.00 0.00 O ATOM 1438 CB GLU B 13 8.991 0.536 12.532 1.00 0.00 C ATOM 1439 CG GLU B 13 8.966 -0.973 12.721 1.00 0.00 C ATOM 1440 CD GLU B 13 10.289 -1.514 13.217 1.00 0.00 C ATOM 1441 OE1 GLU B 13 10.804 -1.012 14.236 1.00 0.00 O ATOM 1442 OE2 GLU B 13 10.842 -2.425 12.566 1.00 0.00 O ATOM 0 H GLU B 13 8.614 2.955 12.286 1.00 0.00 H new ATOM 0 HA GLU B 13 7.724 0.719 10.812 1.00 0.00 H new ATOM 0 HB2 GLU B 13 9.875 0.804 11.953 1.00 0.00 H new ATOM 0 HB3 GLU B 13 9.093 1.012 13.507 1.00 0.00 H new ATOM 0 HG2 GLU B 13 8.181 -1.235 13.430 1.00 0.00 H new ATOM 0 HG3 GLU B 13 8.713 -1.451 11.775 1.00 0.00 H new ATOM 1449 N LYS B 14 6.135 1.356 13.621 1.00 0.00 N ATOM 1450 CA LYS B 14 4.895 1.109 14.346 1.00 0.00 C ATOM 1451 C LYS B 14 3.710 1.132 13.390 1.00 0.00 C ATOM 1452 O LYS B 14 2.964 0.163 13.301 1.00 0.00 O ATOM 1453 CB LYS B 14 4.693 2.162 15.440 1.00 0.00 C ATOM 1454 CG LYS B 14 3.357 2.045 16.158 1.00 0.00 C ATOM 1455 CD LYS B 14 3.057 3.278 16.993 1.00 0.00 C ATOM 1456 CE LYS B 14 1.690 3.187 17.656 1.00 0.00 C ATOM 1457 NZ LYS B 14 0.580 3.124 16.665 1.00 0.00 N ATOM 0 H LYS B 14 6.703 2.109 14.009 1.00 0.00 H new ATOM 0 HA LYS B 14 4.962 0.125 14.810 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.497 2.074 16.170 1.00 0.00 H new ATOM 0 HB3 LYS B 14 4.772 3.155 14.996 1.00 0.00 H new ATOM 0 HG2 LYS B 14 2.562 1.899 15.426 1.00 0.00 H new ATOM 0 HG3 LYS B 14 3.365 1.164 16.800 1.00 0.00 H new ATOM 0 HD2 LYS B 14 3.825 3.396 17.757 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.097 4.165 16.361 1.00 0.00 H new ATOM 0 HE2 LYS B 14 1.656 2.302 18.292 1.00 0.00 H new ATOM 0 HE3 LYS B 14 1.546 4.051 18.304 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -0.328 3.046 17.166 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 0.583 3.987 16.085 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 0.709 2.294 16.051 1.00 0.00 H new ATOM 1471 N ILE B 15 3.572 2.235 12.659 1.00 0.00 N ATOM 1472 CA ILE B 15 2.474 2.415 11.716 1.00 0.00 C ATOM 1473 C ILE B 15 2.430 1.270 10.704 1.00 0.00 C ATOM 1474 O ILE B 15 1.375 0.683 10.465 1.00 0.00 O ATOM 1475 CB ILE B 15 2.599 3.758 10.961 1.00 0.00 C ATOM 1476 CG1 ILE B 15 2.721 4.916 11.956 1.00 0.00 C ATOM 1477 CG2 ILE B 15 1.401 3.968 10.044 1.00 0.00 C ATOM 1478 CD1 ILE B 15 2.966 6.259 11.303 1.00 0.00 C ATOM 0 H ILE B 15 4.215 3.025 12.704 1.00 0.00 H new ATOM 0 HA ILE B 15 1.550 2.419 12.294 1.00 0.00 H new ATOM 0 HB ILE B 15 3.500 3.729 10.348 1.00 0.00 H new ATOM 0 HG12 ILE B 15 1.808 4.972 12.548 1.00 0.00 H new ATOM 0 HG13 ILE B 15 3.537 4.704 12.647 1.00 0.00 H new ATOM 0 HG21 ILE B 15 1.506 4.918 9.520 1.00 0.00 H new ATOM 0 HG22 ILE B 15 1.352 3.157 9.317 1.00 0.00 H new ATOM 0 HG23 ILE B 15 0.486 3.979 10.637 1.00 0.00 H new ATOM 0 HD11 ILE B 15 3.041 7.029 12.071 1.00 0.00 H new ATOM 0 HD12 ILE B 15 3.895 6.223 10.734 1.00 0.00 H new ATOM 0 HD13 ILE B 15 2.139 6.494 10.633 1.00 0.00 H new ATOM 1490 N ILE B 16 3.588 0.946 10.132 1.00 0.00 N ATOM 1491 CA ILE B 16 3.692 -0.143 9.165 1.00 0.00 C ATOM 1492 C ILE B 16 3.218 -1.457 9.778 1.00 0.00 C ATOM 1493 O ILE B 16 2.399 -2.166 9.194 1.00 0.00 O ATOM 1494 CB ILE B 16 5.142 -0.317 8.658 1.00 0.00 C ATOM 1495 CG1 ILE B 16 5.643 0.979 8.017 1.00 0.00 C ATOM 1496 CG2 ILE B 16 5.228 -1.469 7.663 1.00 0.00 C ATOM 1497 CD1 ILE B 16 7.103 0.938 7.616 1.00 0.00 C ATOM 0 H ILE B 16 4.469 1.424 10.323 1.00 0.00 H new ATOM 0 HA ILE B 16 3.054 0.119 8.321 1.00 0.00 H new ATOM 0 HB ILE B 16 5.778 -0.551 9.512 1.00 0.00 H new ATOM 0 HG12 ILE B 16 5.040 1.194 7.135 1.00 0.00 H new ATOM 0 HG13 ILE B 16 5.491 1.802 8.716 1.00 0.00 H new ATOM 0 HG21 ILE B 16 6.256 -1.576 7.318 1.00 0.00 H new ATOM 0 HG22 ILE B 16 4.910 -2.392 8.147 1.00 0.00 H new ATOM 0 HG23 ILE B 16 4.579 -1.264 6.812 1.00 0.00 H new ATOM 0 HD11 ILE B 16 7.385 1.892 7.169 1.00 0.00 H new ATOM 0 HD12 ILE B 16 7.717 0.755 8.497 1.00 0.00 H new ATOM 0 HD13 ILE B 16 7.259 0.138 6.892 1.00 0.00 H new ATOM 1509 N GLN B 17 3.718 -1.759 10.970 1.00 0.00 N ATOM 1510 CA GLN B 17 3.383 -3.004 11.645 1.00 0.00 C ATOM 1511 C GLN B 17 1.918 -3.017 12.075 1.00 0.00 C ATOM 1512 O GLN B 17 1.276 -4.062 12.050 1.00 0.00 O ATOM 1513 CB GLN B 17 4.297 -3.223 12.853 1.00 0.00 C ATOM 1514 CG GLN B 17 4.022 -4.519 13.604 1.00 0.00 C ATOM 1515 CD GLN B 17 4.182 -5.752 12.729 1.00 0.00 C ATOM 1516 OE1 GLN B 17 5.266 -6.324 12.629 1.00 0.00 O ATOM 1517 NE2 GLN B 17 3.103 -6.171 12.090 1.00 0.00 N ATOM 0 H GLN B 17 4.358 -1.157 11.489 1.00 0.00 H new ATOM 0 HA GLN B 17 3.536 -3.821 10.940 1.00 0.00 H new ATOM 0 HB2 GLN B 17 5.334 -3.221 12.517 1.00 0.00 H new ATOM 0 HB3 GLN B 17 4.183 -2.384 13.540 1.00 0.00 H new ATOM 0 HG2 GLN B 17 4.700 -4.592 14.454 1.00 0.00 H new ATOM 0 HG3 GLN B 17 3.009 -4.493 14.006 1.00 0.00 H new ATOM 0 HE21 GLN B 17 2.220 -5.671 12.197 1.00 0.00 H new ATOM 0 HE22 GLN B 17 3.153 -6.994 11.490 1.00 0.00 H new ATOM 1526 N ASP B 18 1.390 -1.860 12.457 1.00 0.00 N ATOM 1527 CA ASP B 18 -0.020 -1.760 12.830 1.00 0.00 C ATOM 1528 C ASP B 18 -0.899 -2.050 11.620 1.00 0.00 C ATOM 1529 O ASP B 18 -1.905 -2.747 11.727 1.00 0.00 O ATOM 1530 CB ASP B 18 -0.360 -0.379 13.408 1.00 0.00 C ATOM 1531 CG ASP B 18 0.258 -0.127 14.773 1.00 0.00 C ATOM 1532 OD1 ASP B 18 0.418 -1.090 15.554 1.00 0.00 O ATOM 1533 OD2 ASP B 18 0.590 1.039 15.073 1.00 0.00 O ATOM 0 H ASP B 18 1.909 -0.984 12.517 1.00 0.00 H new ATOM 0 HA ASP B 18 -0.212 -2.500 13.607 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -0.019 0.390 12.715 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -1.443 -0.282 13.484 1.00 0.00 H new ATOM 1538 N LEU B 19 -0.502 -1.520 10.467 1.00 0.00 N ATOM 1539 CA LEU B 19 -1.199 -1.791 9.213 1.00 0.00 C ATOM 1540 C LEU B 19 -1.154 -3.281 8.891 1.00 0.00 C ATOM 1541 O LEU B 19 -2.170 -3.889 8.549 1.00 0.00 O ATOM 1542 CB LEU B 19 -0.568 -0.994 8.067 1.00 0.00 C ATOM 1543 CG LEU B 19 -0.663 0.526 8.194 1.00 0.00 C ATOM 1544 CD1 LEU B 19 0.120 1.200 7.079 1.00 0.00 C ATOM 1545 CD2 LEU B 19 -2.118 0.971 8.171 1.00 0.00 C ATOM 0 H LEU B 19 0.301 -0.898 10.375 1.00 0.00 H new ATOM 0 HA LEU B 19 -2.239 -1.484 9.327 1.00 0.00 H new ATOM 0 HB2 LEU B 19 0.484 -1.270 7.991 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -1.044 -1.294 7.133 1.00 0.00 H new ATOM 0 HG LEU B 19 -0.228 0.823 9.148 1.00 0.00 H new ATOM 0 HD11 LEU B 19 0.043 2.282 7.183 1.00 0.00 H new ATOM 0 HD12 LEU B 19 1.167 0.903 7.139 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -0.288 0.898 6.114 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -2.168 2.056 8.262 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -2.577 0.664 7.231 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -2.652 0.512 9.003 1.00 0.00 H new ATOM 1557 N LEU B 20 0.032 -3.864 9.013 1.00 0.00 N ATOM 1558 CA LEU B 20 0.211 -5.293 8.796 1.00 0.00 C ATOM 1559 C LEU B 20 -0.625 -6.088 9.791 1.00 0.00 C ATOM 1560 O LEU B 20 -1.213 -7.111 9.450 1.00 0.00 O ATOM 1561 CB LEU B 20 1.686 -5.677 8.929 1.00 0.00 C ATOM 1562 CG LEU B 20 2.626 -5.012 7.922 1.00 0.00 C ATOM 1563 CD1 LEU B 20 4.072 -5.346 8.247 1.00 0.00 C ATOM 1564 CD2 LEU B 20 2.283 -5.447 6.504 1.00 0.00 C ATOM 0 H LEU B 20 0.887 -3.366 9.262 1.00 0.00 H new ATOM 0 HA LEU B 20 -0.121 -5.530 7.785 1.00 0.00 H new ATOM 0 HB2 LEU B 20 2.021 -5.425 9.935 1.00 0.00 H new ATOM 0 HB3 LEU B 20 1.774 -6.758 8.825 1.00 0.00 H new ATOM 0 HG LEU B 20 2.497 -3.932 7.990 1.00 0.00 H new ATOM 0 HD11 LEU B 20 4.728 -4.865 7.521 1.00 0.00 H new ATOM 0 HD12 LEU B 20 4.312 -4.987 9.248 1.00 0.00 H new ATOM 0 HD13 LEU B 20 4.214 -6.426 8.205 1.00 0.00 H new ATOM 0 HD21 LEU B 20 2.962 -4.964 5.801 1.00 0.00 H new ATOM 0 HD22 LEU B 20 2.384 -6.529 6.421 1.00 0.00 H new ATOM 0 HD23 LEU B 20 1.257 -5.160 6.273 1.00 0.00 H new ATOM 1576 N ASP B 21 -0.690 -5.596 11.021 1.00 0.00 N ATOM 1577 CA ASP B 21 -1.474 -6.237 12.068 1.00 0.00 C ATOM 1578 C ASP B 21 -2.945 -6.262 11.699 1.00 0.00 C ATOM 1579 O ASP B 21 -3.631 -7.238 11.964 1.00 0.00 O ATOM 1580 CB ASP B 21 -1.296 -5.514 13.401 1.00 0.00 C ATOM 1581 CG ASP B 21 -2.161 -6.103 14.498 1.00 0.00 C ATOM 1582 OD1 ASP B 21 -1.734 -7.090 15.134 1.00 0.00 O ATOM 1583 OD2 ASP B 21 -3.268 -5.583 14.730 1.00 0.00 O ATOM 0 H ASP B 21 -0.206 -4.749 11.319 1.00 0.00 H new ATOM 0 HA ASP B 21 -1.114 -7.261 12.170 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -0.249 -5.564 13.701 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -1.542 -4.460 13.275 1.00 0.00 H new ATOM 1588 N VAL B 22 -3.419 -5.189 11.077 1.00 0.00 N ATOM 1589 CA VAL B 22 -4.811 -5.102 10.661 1.00 0.00 C ATOM 1590 C VAL B 22 -5.129 -6.125 9.574 1.00 0.00 C ATOM 1591 O VAL B 22 -6.205 -6.722 9.570 1.00 0.00 O ATOM 1592 CB VAL B 22 -5.172 -3.685 10.160 1.00 0.00 C ATOM 1593 CG1 VAL B 22 -6.605 -3.638 9.647 1.00 0.00 C ATOM 1594 CG2 VAL B 22 -4.976 -2.663 11.266 1.00 0.00 C ATOM 0 H VAL B 22 -2.859 -4.367 10.850 1.00 0.00 H new ATOM 0 HA VAL B 22 -5.415 -5.321 11.542 1.00 0.00 H new ATOM 0 HB VAL B 22 -4.504 -3.439 9.334 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -6.834 -2.630 9.300 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -6.719 -4.341 8.822 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -7.289 -3.909 10.452 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -5.235 -1.671 10.895 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -5.618 -2.913 12.111 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -3.934 -2.670 11.587 1.00 0.00 H new ATOM 1604 N LEU B 23 -4.197 -6.350 8.659 1.00 0.00 N ATOM 1605 CA LEU B 23 -4.443 -7.303 7.591 1.00 0.00 C ATOM 1606 C LEU B 23 -4.257 -8.739 8.080 1.00 0.00 C ATOM 1607 O LEU B 23 -4.786 -9.672 7.485 1.00 0.00 O ATOM 1608 CB LEU B 23 -3.594 -6.999 6.345 1.00 0.00 C ATOM 1609 CG LEU B 23 -2.068 -7.086 6.474 1.00 0.00 C ATOM 1610 CD1 LEU B 23 -1.586 -8.530 6.513 1.00 0.00 C ATOM 1611 CD2 LEU B 23 -1.421 -6.359 5.312 1.00 0.00 C ATOM 0 H LEU B 23 -3.284 -5.896 8.634 1.00 0.00 H new ATOM 0 HA LEU B 23 -5.485 -7.197 7.288 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -3.902 -7.685 5.556 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -3.844 -5.993 6.008 1.00 0.00 H new ATOM 0 HG LEU B 23 -1.781 -6.616 7.415 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -0.500 -8.549 6.605 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -2.031 -9.039 7.368 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -1.881 -9.037 5.594 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -0.337 -6.420 5.403 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -1.733 -6.820 4.375 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -1.727 -5.313 5.321 1.00 0.00 H new ATOM 1623 N VAL B 24 -3.501 -8.915 9.161 1.00 0.00 N ATOM 1624 CA VAL B 24 -3.399 -10.217 9.817 1.00 0.00 C ATOM 1625 C VAL B 24 -4.644 -10.445 10.668 1.00 0.00 C ATOM 1626 O VAL B 24 -5.154 -11.557 10.773 1.00 0.00 O ATOM 1627 CB VAL B 24 -2.132 -10.319 10.702 1.00 0.00 C ATOM 1628 CG1 VAL B 24 -2.105 -11.629 11.476 1.00 0.00 C ATOM 1629 CG2 VAL B 24 -0.880 -10.183 9.851 1.00 0.00 C ATOM 0 H VAL B 24 -2.952 -8.176 9.600 1.00 0.00 H new ATOM 0 HA VAL B 24 -3.322 -10.983 9.045 1.00 0.00 H new ATOM 0 HB VAL B 24 -2.159 -9.502 11.423 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -1.204 -11.672 12.088 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -2.983 -11.690 12.119 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -2.108 -12.465 10.777 1.00 0.00 H new ATOM 0 HG21 VAL B 24 0.002 -10.257 10.487 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -0.858 -10.979 9.106 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -0.885 -9.216 9.348 1.00 0.00 H new ATOM 1639 N LYS B 25 -5.120 -9.358 11.254 1.00 0.00 N ATOM 1640 CA LYS B 25 -6.374 -9.318 11.994 1.00 0.00 C ATOM 1641 C LYS B 25 -7.511 -9.916 11.168 1.00 0.00 C ATOM 1642 O LYS B 25 -8.280 -10.746 11.655 1.00 0.00 O ATOM 1643 CB LYS B 25 -6.659 -7.852 12.344 1.00 0.00 C ATOM 1644 CG LYS B 25 -8.023 -7.558 12.943 1.00 0.00 C ATOM 1645 CD LYS B 25 -8.244 -6.053 13.013 1.00 0.00 C ATOM 1646 CE LYS B 25 -9.578 -5.690 13.637 1.00 0.00 C ATOM 1647 NZ LYS B 25 -9.803 -4.219 13.627 1.00 0.00 N ATOM 0 H LYS B 25 -4.637 -8.460 11.229 1.00 0.00 H new ATOM 0 HA LYS B 25 -6.297 -9.913 12.904 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -5.897 -7.513 13.045 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -6.547 -7.256 11.439 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -8.803 -8.021 12.339 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -8.093 -7.992 13.941 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -7.440 -5.598 13.591 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -8.191 -5.634 12.008 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -10.382 -6.186 13.093 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -9.613 -6.057 14.663 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -10.406 -3.955 14.432 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -8.890 -3.728 13.703 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -10.271 -3.945 12.739 1.00 0.00 H new ATOM 1661 N GLU B 26 -7.595 -9.501 9.910 1.00 0.00 N ATOM 1662 CA GLU B 26 -8.632 -9.988 9.005 1.00 0.00 C ATOM 1663 C GLU B 26 -8.134 -11.198 8.219 1.00 0.00 C ATOM 1664 O GLU B 26 -8.914 -11.888 7.561 1.00 0.00 O ATOM 1665 CB GLU B 26 -9.038 -8.885 8.025 1.00 0.00 C ATOM 1666 CG GLU B 26 -9.265 -7.533 8.679 1.00 0.00 C ATOM 1667 CD GLU B 26 -10.464 -7.511 9.612 1.00 0.00 C ATOM 1668 OE1 GLU B 26 -10.358 -8.000 10.754 1.00 0.00 O ATOM 1669 OE2 GLU B 26 -11.524 -6.988 9.212 1.00 0.00 O ATOM 0 H GLU B 26 -6.956 -8.826 9.491 1.00 0.00 H new ATOM 0 HA GLU B 26 -9.494 -10.281 9.604 1.00 0.00 H new ATOM 0 HB2 GLU B 26 -8.263 -8.784 7.265 1.00 0.00 H new ATOM 0 HB3 GLU B 26 -9.951 -9.187 7.511 1.00 0.00 H new ATOM 0 HG2 GLU B 26 -8.372 -7.253 9.239 1.00 0.00 H new ATOM 0 HG3 GLU B 26 -9.403 -6.780 7.903 1.00 0.00 H new ATOM 1676 N GLU B 27 -6.829 -11.447 8.305 1.00 0.00 N ATOM 1677 CA GLU B 27 -6.168 -12.488 7.520 1.00 0.00 C ATOM 1678 C GLU B 27 -6.426 -12.297 6.030 1.00 0.00 C ATOM 1679 O GLU B 27 -7.115 -13.108 5.402 1.00 0.00 O ATOM 1680 CB GLU B 27 -6.622 -13.884 7.943 1.00 0.00 C ATOM 1681 CG GLU B 27 -6.198 -14.287 9.341 1.00 0.00 C ATOM 1682 CD GLU B 27 -6.612 -15.704 9.662 1.00 0.00 C ATOM 1683 OE1 GLU B 27 -5.962 -16.644 9.163 1.00 0.00 O ATOM 1684 OE2 GLU B 27 -7.602 -15.890 10.397 1.00 0.00 O ATOM 0 H GLU B 27 -6.199 -10.933 8.921 1.00 0.00 H new ATOM 0 HA GLU B 27 -5.098 -12.399 7.711 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -7.709 -13.934 7.878 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -6.227 -14.611 7.234 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -5.116 -14.194 9.435 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -6.641 -13.605 10.067 1.00 0.00 H new ATOM 1691 N VAL B 28 -5.900 -11.217 5.469 1.00 0.00 N ATOM 1692 CA VAL B 28 -6.051 -10.964 4.045 1.00 0.00 C ATOM 1693 C VAL B 28 -5.159 -11.897 3.226 1.00 0.00 C ATOM 1694 O VAL B 28 -4.049 -12.240 3.637 1.00 0.00 O ATOM 1695 CB VAL B 28 -5.727 -9.497 3.679 1.00 0.00 C ATOM 1696 CG1 VAL B 28 -6.601 -8.540 4.474 1.00 0.00 C ATOM 1697 CG2 VAL B 28 -4.254 -9.193 3.900 1.00 0.00 C ATOM 0 H VAL B 28 -5.369 -10.508 5.974 1.00 0.00 H new ATOM 0 HA VAL B 28 -7.097 -11.156 3.804 1.00 0.00 H new ATOM 0 HB VAL B 28 -5.943 -9.357 2.620 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -6.357 -7.513 4.202 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -7.650 -8.735 4.251 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -6.423 -8.685 5.540 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -4.053 -8.155 3.635 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -4.002 -9.355 4.948 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -3.649 -9.850 3.276 1.00 0.00 H new ATOM 1707 N THR B 29 -5.671 -12.331 2.089 1.00 0.00 N ATOM 1708 CA THR B 29 -4.893 -13.100 1.136 1.00 0.00 C ATOM 1709 C THR B 29 -4.023 -12.141 0.318 1.00 0.00 C ATOM 1710 O THR B 29 -4.318 -10.949 0.276 1.00 0.00 O ATOM 1711 CB THR B 29 -5.842 -13.896 0.216 1.00 0.00 C ATOM 1712 OG1 THR B 29 -7.197 -13.674 0.632 1.00 0.00 O ATOM 1713 CG2 THR B 29 -5.545 -15.387 0.274 1.00 0.00 C ATOM 0 H THR B 29 -6.635 -12.161 1.801 1.00 0.00 H new ATOM 0 HA THR B 29 -4.249 -13.807 1.659 1.00 0.00 H new ATOM 0 HB THR B 29 -5.693 -13.553 -0.808 1.00 0.00 H new ATOM 0 HG1 THR B 29 -7.525 -12.835 0.245 1.00 0.00 H new ATOM 0 HG21 THR B 29 -6.230 -15.920 -0.385 1.00 0.00 H new ATOM 0 HG22 THR B 29 -4.519 -15.566 -0.047 1.00 0.00 H new ATOM 0 HG23 THR B 29 -5.673 -15.744 1.296 1.00 0.00 H new ATOM 1721 N PRO B 30 -2.931 -12.624 -0.316 1.00 0.00 N ATOM 1722 CA PRO B 30 -2.016 -11.771 -1.094 1.00 0.00 C ATOM 1723 C PRO B 30 -2.742 -10.802 -2.031 1.00 0.00 C ATOM 1724 O PRO B 30 -2.497 -9.593 -1.998 1.00 0.00 O ATOM 1725 CB PRO B 30 -1.199 -12.782 -1.895 1.00 0.00 C ATOM 1726 CG PRO B 30 -1.156 -13.988 -1.025 1.00 0.00 C ATOM 1727 CD PRO B 30 -2.481 -14.031 -0.308 1.00 0.00 C ATOM 0 HA PRO B 30 -1.421 -11.125 -0.448 1.00 0.00 H new ATOM 0 HB2 PRO B 30 -1.666 -13.000 -2.855 1.00 0.00 H new ATOM 0 HB3 PRO B 30 -0.197 -12.407 -2.106 1.00 0.00 H new ATOM 0 HG2 PRO B 30 -1.003 -14.891 -1.617 1.00 0.00 H new ATOM 0 HG3 PRO B 30 -0.330 -13.928 -0.316 1.00 0.00 H new ATOM 0 HD2 PRO B 30 -3.191 -14.681 -0.819 1.00 0.00 H new ATOM 0 HD3 PRO B 30 -2.374 -14.411 0.708 1.00 0.00 H new ATOM 1735 N ASP B 31 -3.642 -11.339 -2.847 1.00 0.00 N ATOM 1736 CA ASP B 31 -4.430 -10.530 -3.775 1.00 0.00 C ATOM 1737 C ASP B 31 -5.321 -9.546 -3.022 1.00 0.00 C ATOM 1738 O ASP B 31 -5.438 -8.379 -3.402 1.00 0.00 O ATOM 1739 CB ASP B 31 -5.290 -11.428 -4.670 1.00 0.00 C ATOM 1740 CG ASP B 31 -4.460 -12.259 -5.629 1.00 0.00 C ATOM 1741 OD1 ASP B 31 -3.870 -13.271 -5.187 1.00 0.00 O ATOM 1742 OD2 ASP B 31 -4.396 -11.899 -6.826 1.00 0.00 O ATOM 0 H ASP B 31 -3.846 -12.338 -2.886 1.00 0.00 H new ATOM 0 HA ASP B 31 -3.737 -9.964 -4.397 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -5.889 -12.091 -4.046 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -5.985 -10.810 -5.238 1.00 0.00 H new ATOM 1747 N LEU B 32 -5.938 -10.021 -1.947 1.00 0.00 N ATOM 1748 CA LEU B 32 -6.816 -9.191 -1.130 1.00 0.00 C ATOM 1749 C LEU B 32 -6.044 -8.031 -0.510 1.00 0.00 C ATOM 1750 O LEU B 32 -6.537 -6.905 -0.462 1.00 0.00 O ATOM 1751 CB LEU B 32 -7.468 -10.034 -0.029 1.00 0.00 C ATOM 1752 CG LEU B 32 -8.417 -9.282 0.911 1.00 0.00 C ATOM 1753 CD1 LEU B 32 -9.578 -8.677 0.137 1.00 0.00 C ATOM 1754 CD2 LEU B 32 -8.931 -10.212 2.000 1.00 0.00 C ATOM 0 H LEU B 32 -5.846 -10.982 -1.619 1.00 0.00 H new ATOM 0 HA LEU B 32 -7.594 -8.782 -1.774 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -8.021 -10.847 -0.499 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -6.679 -10.489 0.569 1.00 0.00 H new ATOM 0 HG LEU B 32 -7.861 -8.470 1.380 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -10.238 -8.149 0.825 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -9.195 -7.979 -0.607 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -10.135 -9.470 -0.363 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -9.604 -9.663 2.659 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -9.468 -11.044 1.544 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -8.090 -10.596 2.577 1.00 0.00 H new ATOM 1766 N ALA B 33 -4.829 -8.315 -0.045 1.00 0.00 N ATOM 1767 CA ALA B 33 -3.978 -7.302 0.557 1.00 0.00 C ATOM 1768 C ALA B 33 -3.722 -6.169 -0.423 1.00 0.00 C ATOM 1769 O ALA B 33 -3.987 -5.009 -0.123 1.00 0.00 O ATOM 1770 CB ALA B 33 -2.662 -7.916 1.003 1.00 0.00 C ATOM 0 H ALA B 33 -4.414 -9.246 -0.076 1.00 0.00 H new ATOM 0 HA ALA B 33 -4.490 -6.897 1.430 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -2.035 -7.146 1.452 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -2.856 -8.699 1.736 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -2.150 -8.344 0.141 1.00 0.00 H new ATOM 1776 N LEU B 34 -3.244 -6.526 -1.608 1.00 0.00 N ATOM 1777 CA LEU B 34 -2.903 -5.544 -2.630 1.00 0.00 C ATOM 1778 C LEU B 34 -4.127 -4.736 -3.051 1.00 0.00 C ATOM 1779 O LEU B 34 -4.049 -3.520 -3.212 1.00 0.00 O ATOM 1780 CB LEU B 34 -2.292 -6.236 -3.848 1.00 0.00 C ATOM 1781 CG LEU B 34 -1.002 -7.012 -3.578 1.00 0.00 C ATOM 1782 CD1 LEU B 34 -0.501 -7.662 -4.856 1.00 0.00 C ATOM 1783 CD2 LEU B 34 0.064 -6.098 -2.992 1.00 0.00 C ATOM 0 H LEU B 34 -3.083 -7.494 -1.886 1.00 0.00 H new ATOM 0 HA LEU B 34 -2.172 -4.858 -2.203 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -3.030 -6.922 -4.264 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -2.091 -5.484 -4.611 1.00 0.00 H new ATOM 0 HG LEU B 34 -1.217 -7.794 -2.850 1.00 0.00 H new ATOM 0 HD11 LEU B 34 0.418 -8.211 -4.649 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -1.257 -8.350 -5.235 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -0.304 -6.893 -5.602 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.973 -6.671 -2.808 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.279 -5.292 -3.694 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -0.295 -5.675 -2.054 1.00 0.00 H new ATOM 1795 N MET B 35 -5.256 -5.410 -3.215 1.00 0.00 N ATOM 1796 CA MET B 35 -6.487 -4.742 -3.620 1.00 0.00 C ATOM 1797 C MET B 35 -6.913 -3.703 -2.581 1.00 0.00 C ATOM 1798 O MET B 35 -7.295 -2.583 -2.929 1.00 0.00 O ATOM 1799 CB MET B 35 -7.605 -5.763 -3.832 1.00 0.00 C ATOM 1800 CG MET B 35 -8.902 -5.152 -4.334 1.00 0.00 C ATOM 1801 SD MET B 35 -10.175 -6.385 -4.658 1.00 0.00 S ATOM 1802 CE MET B 35 -10.335 -7.147 -3.045 1.00 0.00 C ATOM 0 H MET B 35 -5.347 -6.416 -3.075 1.00 0.00 H new ATOM 0 HA MET B 35 -6.297 -4.228 -4.562 1.00 0.00 H new ATOM 0 HB2 MET B 35 -7.268 -6.515 -4.545 1.00 0.00 H new ATOM 0 HB3 MET B 35 -7.797 -6.279 -2.891 1.00 0.00 H new ATOM 0 HG2 MET B 35 -9.272 -4.440 -3.597 1.00 0.00 H new ATOM 0 HG3 MET B 35 -8.705 -4.591 -5.248 1.00 0.00 H new ATOM 0 HE1 MET B 35 -11.309 -7.631 -2.966 1.00 0.00 H new ATOM 0 HE2 MET B 35 -9.549 -7.890 -2.914 1.00 0.00 H new ATOM 0 HE3 MET B 35 -10.245 -6.384 -2.272 1.00 0.00 H new ATOM 1812 N CYS B 36 -6.836 -4.070 -1.308 1.00 0.00 N ATOM 1813 CA CYS B 36 -7.196 -3.157 -0.231 1.00 0.00 C ATOM 1814 C CYS B 36 -6.167 -2.038 -0.106 1.00 0.00 C ATOM 1815 O CYS B 36 -6.522 -0.860 -0.016 1.00 0.00 O ATOM 1816 CB CYS B 36 -7.313 -3.911 1.092 1.00 0.00 C ATOM 1817 SG CYS B 36 -8.504 -5.267 1.051 1.00 0.00 S ATOM 0 H CYS B 36 -6.528 -4.991 -0.997 1.00 0.00 H new ATOM 0 HA CYS B 36 -8.163 -2.715 -0.470 1.00 0.00 H new ATOM 0 HB2 CYS B 36 -6.334 -4.307 1.362 1.00 0.00 H new ATOM 0 HB3 CYS B 36 -7.601 -3.210 1.875 1.00 0.00 H new ATOM 0 HG CYS B 36 -7.989 -6.277 0.415 1.00 0.00 H new ATOM 1823 N LEU B 37 -4.891 -2.414 -0.119 1.00 0.00 N ATOM 1824 CA LEU B 37 -3.802 -1.451 0.009 1.00 0.00 C ATOM 1825 C LEU B 37 -3.828 -0.442 -1.132 1.00 0.00 C ATOM 1826 O LEU B 37 -3.645 0.751 -0.908 1.00 0.00 O ATOM 1827 CB LEU B 37 -2.446 -2.169 0.043 1.00 0.00 C ATOM 1828 CG LEU B 37 -2.204 -3.044 1.276 1.00 0.00 C ATOM 1829 CD1 LEU B 37 -0.894 -3.808 1.148 1.00 0.00 C ATOM 1830 CD2 LEU B 37 -2.202 -2.195 2.539 1.00 0.00 C ATOM 0 H LEU B 37 -4.585 -3.382 -0.217 1.00 0.00 H new ATOM 0 HA LEU B 37 -3.941 -0.915 0.948 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -2.360 -2.792 -0.848 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -1.655 -1.421 -0.013 1.00 0.00 H new ATOM 0 HG LEU B 37 -3.016 -3.768 1.345 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -0.743 -4.423 2.035 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -0.930 -4.447 0.266 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -0.069 -3.102 1.051 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -2.029 -2.833 3.406 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -1.411 -1.448 2.474 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -3.165 -1.695 2.643 1.00 0.00 H new ATOM 1842 N GLY B 38 -4.073 -0.928 -2.346 1.00 0.00 N ATOM 1843 CA GLY B 38 -4.121 -0.061 -3.510 1.00 0.00 C ATOM 1844 C GLY B 38 -5.120 1.066 -3.352 1.00 0.00 C ATOM 1845 O GLY B 38 -4.825 2.218 -3.670 1.00 0.00 O ATOM 0 H GLY B 38 -4.240 -1.914 -2.545 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -3.131 0.358 -3.688 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -4.380 -0.652 -4.389 1.00 0.00 H new ATOM 1849 N ASN B 39 -6.299 0.741 -2.838 1.00 0.00 N ATOM 1850 CA ASN B 39 -7.334 1.744 -2.617 1.00 0.00 C ATOM 1851 C ASN B 39 -6.943 2.676 -1.476 1.00 0.00 C ATOM 1852 O ASN B 39 -7.194 3.876 -1.534 1.00 0.00 O ATOM 1853 CB ASN B 39 -8.682 1.083 -2.316 1.00 0.00 C ATOM 1854 CG ASN B 39 -9.370 0.538 -3.554 1.00 0.00 C ATOM 1855 OD1 ASN B 39 -10.133 1.244 -4.215 1.00 0.00 O ATOM 1856 ND2 ASN B 39 -9.118 -0.722 -3.873 1.00 0.00 N ATOM 0 H ASN B 39 -6.563 -0.206 -2.567 1.00 0.00 H new ATOM 0 HA ASN B 39 -7.433 2.329 -3.531 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -8.530 0.271 -1.605 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -9.336 1.810 -1.835 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -9.562 -1.140 -4.691 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -8.480 -1.275 -3.301 1.00 0.00 H new ATOM 1863 N ALA B 40 -6.316 2.115 -0.444 1.00 0.00 N ATOM 1864 CA ALA B 40 -5.874 2.898 0.706 1.00 0.00 C ATOM 1865 C ALA B 40 -4.822 3.921 0.294 1.00 0.00 C ATOM 1866 O ALA B 40 -4.890 5.087 0.688 1.00 0.00 O ATOM 1867 CB ALA B 40 -5.332 1.985 1.796 1.00 0.00 C ATOM 0 H ALA B 40 -6.103 1.119 -0.382 1.00 0.00 H new ATOM 0 HA ALA B 40 -6.735 3.437 1.102 1.00 0.00 H new ATOM 0 HB1 ALA B 40 -5.007 2.586 2.646 1.00 0.00 H new ATOM 0 HB2 ALA B 40 -6.114 1.297 2.116 1.00 0.00 H new ATOM 0 HB3 ALA B 40 -4.486 1.418 1.408 1.00 0.00 H new ATOM 1873 N VAL B 41 -3.861 3.481 -0.510 1.00 0.00 N ATOM 1874 CA VAL B 41 -2.825 4.367 -1.022 1.00 0.00 C ATOM 1875 C VAL B 41 -3.452 5.475 -1.861 1.00 0.00 C ATOM 1876 O VAL B 41 -3.226 6.659 -1.616 1.00 0.00 O ATOM 1877 CB VAL B 41 -1.792 3.607 -1.889 1.00 0.00 C ATOM 1878 CG1 VAL B 41 -0.710 4.548 -2.393 1.00 0.00 C ATOM 1879 CG2 VAL B 41 -1.167 2.455 -1.120 1.00 0.00 C ATOM 0 H VAL B 41 -3.779 2.513 -0.821 1.00 0.00 H new ATOM 0 HA VAL B 41 -2.308 4.790 -0.161 1.00 0.00 H new ATOM 0 HB VAL B 41 -2.324 3.196 -2.747 1.00 0.00 H new ATOM 0 HG11 VAL B 41 0.004 3.990 -3.000 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -1.164 5.334 -2.997 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -0.193 4.996 -1.544 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -0.446 1.941 -1.756 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -0.660 2.841 -0.235 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -1.946 1.756 -0.816 1.00 0.00 H new ATOM 1889 N THR B 42 -4.270 5.079 -2.827 1.00 0.00 N ATOM 1890 CA THR B 42 -4.892 6.018 -3.751 1.00 0.00 C ATOM 1891 C THR B 42 -5.789 7.024 -3.019 1.00 0.00 C ATOM 1892 O THR B 42 -5.893 8.187 -3.417 1.00 0.00 O ATOM 1893 CB THR B 42 -5.717 5.261 -4.809 1.00 0.00 C ATOM 1894 OG1 THR B 42 -4.897 4.264 -5.431 1.00 0.00 O ATOM 1895 CG2 THR B 42 -6.257 6.205 -5.871 1.00 0.00 C ATOM 0 H THR B 42 -4.520 4.104 -2.992 1.00 0.00 H new ATOM 0 HA THR B 42 -4.092 6.572 -4.241 1.00 0.00 H new ATOM 0 HB THR B 42 -6.564 4.792 -4.307 1.00 0.00 H new ATOM 0 HG1 THR B 42 -4.812 3.491 -4.834 1.00 0.00 H new ATOM 0 HG21 THR B 42 -6.834 5.639 -6.602 1.00 0.00 H new ATOM 0 HG22 THR B 42 -6.898 6.952 -5.402 1.00 0.00 H new ATOM 0 HG23 THR B 42 -5.427 6.703 -6.372 1.00 0.00 H new ATOM 1903 N ASN B 43 -6.420 6.573 -1.939 1.00 0.00 N ATOM 1904 CA ASN B 43 -7.337 7.415 -1.174 1.00 0.00 C ATOM 1905 C ASN B 43 -6.599 8.584 -0.523 1.00 0.00 C ATOM 1906 O ASN B 43 -7.119 9.697 -0.454 1.00 0.00 O ATOM 1907 CB ASN B 43 -8.054 6.589 -0.102 1.00 0.00 C ATOM 1908 CG ASN B 43 -9.183 7.353 0.569 1.00 0.00 C ATOM 1909 OD1 ASN B 43 -9.813 8.217 -0.040 1.00 0.00 O ATOM 1910 ND2 ASN B 43 -9.454 7.031 1.824 1.00 0.00 N ATOM 0 H ASN B 43 -6.313 5.627 -1.572 1.00 0.00 H new ATOM 0 HA ASN B 43 -8.076 7.818 -1.867 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -8.454 5.682 -0.555 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.333 6.277 0.653 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -10.208 7.505 2.321 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -8.908 6.309 2.294 1.00 0.00 H new ATOM 1917 N ILE B 44 -5.381 8.338 -0.059 1.00 0.00 N ATOM 1918 CA ILE B 44 -4.614 9.388 0.593 1.00 0.00 C ATOM 1919 C ILE B 44 -3.755 10.149 -0.422 1.00 0.00 C ATOM 1920 O ILE B 44 -3.385 11.299 -0.193 1.00 0.00 O ATOM 1921 CB ILE B 44 -3.751 8.846 1.757 1.00 0.00 C ATOM 1922 CG1 ILE B 44 -3.223 10.010 2.602 1.00 0.00 C ATOM 1923 CG2 ILE B 44 -2.608 7.984 1.242 1.00 0.00 C ATOM 1924 CD1 ILE B 44 -2.639 9.588 3.931 1.00 0.00 C ATOM 0 H ILE B 44 -4.910 7.435 -0.121 1.00 0.00 H new ATOM 0 HA ILE B 44 -5.330 10.085 1.027 1.00 0.00 H new ATOM 0 HB ILE B 44 -4.378 8.213 2.385 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -2.460 10.542 2.034 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -4.036 10.714 2.781 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -2.020 7.618 2.084 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -3.012 7.138 0.687 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -1.972 8.578 0.586 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -2.287 10.468 4.470 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -3.404 9.083 4.521 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -1.804 8.908 3.762 1.00 0.00 H new ATOM 1936 N ILE B 45 -3.466 9.522 -1.560 1.00 0.00 N ATOM 1937 CA ILE B 45 -2.809 10.221 -2.661 1.00 0.00 C ATOM 1938 C ILE B 45 -3.759 11.271 -3.239 1.00 0.00 C ATOM 1939 O ILE B 45 -3.334 12.293 -3.780 1.00 0.00 O ATOM 1940 CB ILE B 45 -2.342 9.253 -3.778 1.00 0.00 C ATOM 1941 CG1 ILE B 45 -1.225 8.344 -3.268 1.00 0.00 C ATOM 1942 CG2 ILE B 45 -1.869 10.022 -5.002 1.00 0.00 C ATOM 1943 CD1 ILE B 45 -0.683 7.403 -4.323 1.00 0.00 C ATOM 0 H ILE B 45 -3.674 8.540 -1.743 1.00 0.00 H new ATOM 0 HA ILE B 45 -1.917 10.704 -2.262 1.00 0.00 H new ATOM 0 HB ILE B 45 -3.194 8.637 -4.065 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -0.410 8.961 -2.889 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -1.599 7.759 -2.428 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -1.547 9.320 -5.771 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -2.686 10.632 -5.387 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -1.034 10.667 -4.727 1.00 0.00 H new ATOM 0 HD11 ILE B 45 0.106 6.788 -3.891 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -1.486 6.761 -4.685 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -0.279 7.982 -5.154 1.00 0.00 H new ATOM 1955 N ALA B 46 -5.055 11.023 -3.087 1.00 0.00 N ATOM 1956 CA ALA B 46 -6.071 11.980 -3.500 1.00 0.00 C ATOM 1957 C ALA B 46 -6.021 13.225 -2.618 1.00 0.00 C ATOM 1958 O ALA B 46 -6.520 14.284 -2.988 1.00 0.00 O ATOM 1959 CB ALA B 46 -7.450 11.343 -3.440 1.00 0.00 C ATOM 0 H ALA B 46 -5.426 10.165 -2.680 1.00 0.00 H new ATOM 0 HA ALA B 46 -5.870 12.278 -4.529 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -8.200 12.070 -3.751 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -7.482 10.481 -4.106 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -7.658 11.021 -2.420 1.00 0.00 H new ATOM 1965 N GLN B 47 -5.402 13.088 -1.451 1.00 0.00 N ATOM 1966 CA GLN B 47 -5.243 14.200 -0.523 1.00 0.00 C ATOM 1967 C GLN B 47 -3.961 14.961 -0.839 1.00 0.00 C ATOM 1968 O GLN B 47 -3.633 15.957 -0.191 1.00 0.00 O ATOM 1969 CB GLN B 47 -5.211 13.684 0.915 1.00 0.00 C ATOM 1970 CG GLN B 47 -6.431 12.857 1.284 1.00 0.00 C ATOM 1971 CD GLN B 47 -6.317 12.227 2.656 1.00 0.00 C ATOM 1972 OE1 GLN B 47 -5.690 12.781 3.560 1.00 0.00 O ATOM 1973 NE2 GLN B 47 -6.913 11.056 2.815 1.00 0.00 N ATOM 0 H GLN B 47 -4.999 12.210 -1.124 1.00 0.00 H new ATOM 0 HA GLN B 47 -6.090 14.877 -0.632 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -4.315 13.080 1.057 1.00 0.00 H new ATOM 0 HB3 GLN B 47 -5.136 14.532 1.596 1.00 0.00 H new ATOM 0 HG2 GLN B 47 -7.317 13.491 1.252 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -6.572 12.073 0.540 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -7.422 10.633 2.039 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -6.863 10.576 3.714 1.00 0.00 H new ATOM 1982 N VAL B 48 -3.241 14.471 -1.837 1.00 0.00 N ATOM 1983 CA VAL B 48 -2.013 15.100 -2.289 1.00 0.00 C ATOM 1984 C VAL B 48 -2.304 15.973 -3.503 1.00 0.00 C ATOM 1985 O VAL B 48 -2.916 15.504 -4.463 1.00 0.00 O ATOM 1986 CB VAL B 48 -0.948 14.045 -2.673 1.00 0.00 C ATOM 1987 CG1 VAL B 48 0.369 14.705 -3.046 1.00 0.00 C ATOM 1988 CG2 VAL B 48 -0.747 13.044 -1.547 1.00 0.00 C ATOM 0 H VAL B 48 -3.492 13.628 -2.354 1.00 0.00 H new ATOM 0 HA VAL B 48 -1.624 15.705 -1.470 1.00 0.00 H new ATOM 0 HB VAL B 48 -1.313 13.507 -3.548 1.00 0.00 H new ATOM 0 HG11 VAL B 48 1.098 13.939 -3.311 1.00 0.00 H new ATOM 0 HG12 VAL B 48 0.215 15.369 -3.896 1.00 0.00 H new ATOM 0 HG13 VAL B 48 0.740 15.281 -2.198 1.00 0.00 H new ATOM 0 HG21 VAL B 48 0.006 12.313 -1.840 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -0.415 13.567 -0.650 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -1.688 12.533 -1.342 1.00 0.00 H new ATOM 1998 N PRO B 49 -1.902 17.253 -3.471 1.00 0.00 N ATOM 1999 CA PRO B 49 -2.072 18.166 -4.610 1.00 0.00 C ATOM 2000 C PRO B 49 -1.522 17.566 -5.902 1.00 0.00 C ATOM 2001 O PRO B 49 -0.408 17.039 -5.920 1.00 0.00 O ATOM 2002 CB PRO B 49 -1.262 19.396 -4.198 1.00 0.00 C ATOM 2003 CG PRO B 49 -1.272 19.369 -2.709 1.00 0.00 C ATOM 2004 CD PRO B 49 -1.261 17.915 -2.322 1.00 0.00 C ATOM 0 HA PRO B 49 -3.120 18.385 -4.817 1.00 0.00 H new ATOM 0 HB2 PRO B 49 -0.245 19.351 -4.589 1.00 0.00 H new ATOM 0 HB3 PRO B 49 -1.710 20.313 -4.581 1.00 0.00 H new ATOM 0 HG2 PRO B 49 -0.403 19.888 -2.303 1.00 0.00 H new ATOM 0 HG3 PRO B 49 -2.156 19.871 -2.315 1.00 0.00 H new ATOM 0 HD2 PRO B 49 -0.247 17.549 -2.162 1.00 0.00 H new ATOM 0 HD3 PRO B 49 -1.813 17.741 -1.398 1.00 0.00 H new ATOM 2012 N GLU B 50 -2.314 17.650 -6.972 1.00 0.00 N ATOM 2013 CA GLU B 50 -1.984 17.031 -8.257 1.00 0.00 C ATOM 2014 C GLU B 50 -0.582 17.400 -8.736 1.00 0.00 C ATOM 2015 O GLU B 50 0.077 16.599 -9.400 1.00 0.00 O ATOM 2016 CB GLU B 50 -3.008 17.417 -9.329 1.00 0.00 C ATOM 2017 CG GLU B 50 -4.425 16.967 -9.019 1.00 0.00 C ATOM 2018 CD GLU B 50 -5.223 18.004 -8.255 1.00 0.00 C ATOM 2019 OE1 GLU B 50 -4.878 18.298 -7.092 1.00 0.00 O ATOM 2020 OE2 GLU B 50 -6.204 18.528 -8.818 1.00 0.00 O ATOM 0 H GLU B 50 -3.203 18.150 -6.972 1.00 0.00 H new ATOM 0 HA GLU B 50 -2.013 15.953 -8.097 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -3.000 18.500 -9.451 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -2.701 16.986 -10.282 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -4.939 16.736 -9.952 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -4.389 16.045 -8.439 1.00 0.00 H new ATOM 2027 N SER B 51 -0.134 18.600 -8.385 1.00 0.00 N ATOM 2028 CA SER B 51 1.189 19.079 -8.765 1.00 0.00 C ATOM 2029 C SER B 51 2.283 18.079 -8.373 1.00 0.00 C ATOM 2030 O SER B 51 3.234 17.860 -9.126 1.00 0.00 O ATOM 2031 CB SER B 51 1.458 20.438 -8.114 1.00 0.00 C ATOM 2032 OG SER B 51 2.673 21.000 -8.576 1.00 0.00 O ATOM 0 H SER B 51 -0.675 19.265 -7.832 1.00 0.00 H new ATOM 0 HA SER B 51 1.210 19.186 -9.850 1.00 0.00 H new ATOM 0 HB2 SER B 51 0.634 21.118 -8.333 1.00 0.00 H new ATOM 0 HB3 SER B 51 1.497 20.323 -7.031 1.00 0.00 H new ATOM 0 HG SER B 51 2.817 21.868 -8.144 1.00 0.00 H new ATOM 2038 N LYS B 52 2.139 17.461 -7.204 1.00 0.00 N ATOM 2039 CA LYS B 52 3.113 16.480 -6.742 1.00 0.00 C ATOM 2040 C LYS B 52 2.485 15.094 -6.658 1.00 0.00 C ATOM 2041 O LYS B 52 3.155 14.120 -6.322 1.00 0.00 O ATOM 2042 CB LYS B 52 3.689 16.881 -5.378 1.00 0.00 C ATOM 2043 CG LYS B 52 2.641 17.045 -4.287 1.00 0.00 C ATOM 2044 CD LYS B 52 3.281 17.274 -2.927 1.00 0.00 C ATOM 2045 CE LYS B 52 4.078 16.062 -2.463 1.00 0.00 C ATOM 2046 NZ LYS B 52 4.728 16.293 -1.145 1.00 0.00 N ATOM 0 H LYS B 52 1.362 17.622 -6.563 1.00 0.00 H new ATOM 0 HA LYS B 52 3.927 16.451 -7.466 1.00 0.00 H new ATOM 0 HB2 LYS B 52 4.410 16.127 -5.064 1.00 0.00 H new ATOM 0 HB3 LYS B 52 4.235 17.818 -5.487 1.00 0.00 H new ATOM 0 HG2 LYS B 52 1.990 17.885 -4.530 1.00 0.00 H new ATOM 0 HG3 LYS B 52 2.012 16.155 -4.249 1.00 0.00 H new ATOM 0 HD2 LYS B 52 3.937 18.143 -2.976 1.00 0.00 H new ATOM 0 HD3 LYS B 52 2.506 17.501 -2.195 1.00 0.00 H new ATOM 0 HE2 LYS B 52 3.417 15.198 -2.395 1.00 0.00 H new ATOM 0 HE3 LYS B 52 4.839 15.823 -3.206 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 5.116 15.397 -0.787 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 5.497 16.984 -1.254 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 4.026 16.660 -0.471 1.00 0.00 H new ATOM 2060 N ARG B 53 1.197 15.013 -6.979 1.00 0.00 N ATOM 2061 CA ARG B 53 0.458 13.755 -6.914 1.00 0.00 C ATOM 2062 C ARG B 53 1.041 12.739 -7.887 1.00 0.00 C ATOM 2063 O ARG B 53 1.230 11.573 -7.541 1.00 0.00 O ATOM 2064 CB ARG B 53 -1.020 13.995 -7.231 1.00 0.00 C ATOM 2065 CG ARG B 53 -1.880 12.742 -7.182 1.00 0.00 C ATOM 2066 CD ARG B 53 -3.340 13.055 -7.477 1.00 0.00 C ATOM 2067 NE ARG B 53 -3.901 13.993 -6.510 1.00 0.00 N ATOM 2068 CZ ARG B 53 -5.141 14.473 -6.557 1.00 0.00 C ATOM 2069 NH1 ARG B 53 -5.973 14.105 -7.525 1.00 0.00 N ATOM 2070 NH2 ARG B 53 -5.544 15.331 -5.633 1.00 0.00 N ATOM 0 H ARG B 53 0.640 15.809 -7.289 1.00 0.00 H new ATOM 0 HA ARG B 53 0.545 13.357 -5.903 1.00 0.00 H new ATOM 0 HB2 ARG B 53 -1.418 14.723 -6.524 1.00 0.00 H new ATOM 0 HB3 ARG B 53 -1.100 14.438 -8.224 1.00 0.00 H new ATOM 0 HG2 ARG B 53 -1.509 12.016 -7.906 1.00 0.00 H new ATOM 0 HG3 ARG B 53 -1.797 12.281 -6.198 1.00 0.00 H new ATOM 0 HD2 ARG B 53 -3.426 13.473 -8.480 1.00 0.00 H new ATOM 0 HD3 ARG B 53 -3.919 12.132 -7.465 1.00 0.00 H new ATOM 0 HE ARG B 53 -3.301 14.302 -5.745 1.00 0.00 H new ATOM 0 HH11 ARG B 53 -5.663 13.448 -8.242 1.00 0.00 H new ATOM 0 HH12 ARG B 53 -6.922 14.479 -7.552 1.00 0.00 H new ATOM 0 HH21 ARG B 53 -4.905 15.620 -4.892 1.00 0.00 H new ATOM 0 HH22 ARG B 53 -6.493 15.703 -5.662 1.00 0.00 H new ATOM 2084 N VAL B 54 1.337 13.194 -9.097 1.00 0.00 N ATOM 2085 CA VAL B 54 1.921 12.335 -10.119 1.00 0.00 C ATOM 2086 C VAL B 54 3.315 11.881 -9.692 1.00 0.00 C ATOM 2087 O VAL B 54 3.711 10.738 -9.921 1.00 0.00 O ATOM 2088 CB VAL B 54 2.012 13.059 -11.483 1.00 0.00 C ATOM 2089 CG1 VAL B 54 2.540 12.125 -12.564 1.00 0.00 C ATOM 2090 CG2 VAL B 54 0.658 13.628 -11.881 1.00 0.00 C ATOM 0 H VAL B 54 1.182 14.157 -9.396 1.00 0.00 H new ATOM 0 HA VAL B 54 1.270 11.468 -10.232 1.00 0.00 H new ATOM 0 HB VAL B 54 2.715 13.885 -11.378 1.00 0.00 H new ATOM 0 HG11 VAL B 54 2.594 12.660 -13.512 1.00 0.00 H new ATOM 0 HG12 VAL B 54 3.535 11.775 -12.288 1.00 0.00 H new ATOM 0 HG13 VAL B 54 1.870 11.271 -12.666 1.00 0.00 H new ATOM 0 HG21 VAL B 54 0.744 14.133 -12.843 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -0.068 12.819 -11.960 1.00 0.00 H new ATOM 0 HG23 VAL B 54 0.326 14.340 -11.126 1.00 0.00 H new ATOM 2100 N ALA B 55 4.037 12.779 -9.036 1.00 0.00 N ATOM 2101 CA ALA B 55 5.399 12.504 -8.615 1.00 0.00 C ATOM 2102 C ALA B 55 5.441 11.479 -7.485 1.00 0.00 C ATOM 2103 O ALA B 55 6.231 10.535 -7.527 1.00 0.00 O ATOM 2104 CB ALA B 55 6.088 13.792 -8.186 1.00 0.00 C ATOM 0 H ALA B 55 3.698 13.707 -8.784 1.00 0.00 H new ATOM 0 HA ALA B 55 5.932 12.081 -9.467 1.00 0.00 H new ATOM 0 HB1 ALA B 55 7.109 13.572 -7.873 1.00 0.00 H new ATOM 0 HB2 ALA B 55 6.108 14.490 -9.023 1.00 0.00 H new ATOM 0 HB3 ALA B 55 5.541 14.238 -7.355 1.00 0.00 H new ATOM 2110 N VAL B 56 4.587 11.658 -6.484 1.00 0.00 N ATOM 2111 CA VAL B 56 4.608 10.789 -5.312 1.00 0.00 C ATOM 2112 C VAL B 56 4.171 9.366 -5.653 1.00 0.00 C ATOM 2113 O VAL B 56 4.753 8.407 -5.154 1.00 0.00 O ATOM 2114 CB VAL B 56 3.748 11.340 -4.150 1.00 0.00 C ATOM 2115 CG1 VAL B 56 4.313 12.659 -3.649 1.00 0.00 C ATOM 2116 CG2 VAL B 56 2.289 11.503 -4.553 1.00 0.00 C ATOM 0 H VAL B 56 3.877 12.390 -6.459 1.00 0.00 H new ATOM 0 HA VAL B 56 5.645 10.765 -4.978 1.00 0.00 H new ATOM 0 HB VAL B 56 3.784 10.610 -3.341 1.00 0.00 H new ATOM 0 HG11 VAL B 56 3.696 13.032 -2.832 1.00 0.00 H new ATOM 0 HG12 VAL B 56 5.332 12.507 -3.294 1.00 0.00 H new ATOM 0 HG13 VAL B 56 4.317 13.385 -4.462 1.00 0.00 H new ATOM 0 HG21 VAL B 56 1.720 11.892 -3.709 1.00 0.00 H new ATOM 0 HG22 VAL B 56 2.218 12.198 -5.390 1.00 0.00 H new ATOM 0 HG23 VAL B 56 1.883 10.536 -4.849 1.00 0.00 H new ATOM 2126 N VAL B 57 3.167 9.223 -6.518 1.00 0.00 N ATOM 2127 CA VAL B 57 2.696 7.898 -6.904 1.00 0.00 C ATOM 2128 C VAL B 57 3.727 7.194 -7.792 1.00 0.00 C ATOM 2129 O VAL B 57 3.886 5.973 -7.729 1.00 0.00 O ATOM 2130 CB VAL B 57 1.319 7.943 -7.620 1.00 0.00 C ATOM 2131 CG1 VAL B 57 1.393 8.715 -8.930 1.00 0.00 C ATOM 2132 CG2 VAL B 57 0.793 6.537 -7.858 1.00 0.00 C ATOM 0 H VAL B 57 2.671 9.998 -6.958 1.00 0.00 H new ATOM 0 HA VAL B 57 2.566 7.330 -5.983 1.00 0.00 H new ATOM 0 HB VAL B 57 0.625 8.469 -6.965 1.00 0.00 H new ATOM 0 HG11 VAL B 57 0.411 8.725 -9.402 1.00 0.00 H new ATOM 0 HG12 VAL B 57 1.711 9.739 -8.732 1.00 0.00 H new ATOM 0 HG13 VAL B 57 2.111 8.235 -9.595 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -0.173 6.590 -8.361 1.00 0.00 H new ATOM 0 HG22 VAL B 57 1.497 5.986 -8.482 1.00 0.00 H new ATOM 0 HG23 VAL B 57 0.677 6.025 -6.903 1.00 0.00 H new ATOM 2142 N ASP B 58 4.448 7.965 -8.597 1.00 0.00 N ATOM 2143 CA ASP B 58 5.462 7.397 -9.479 1.00 0.00 C ATOM 2144 C ASP B 58 6.651 6.898 -8.674 1.00 0.00 C ATOM 2145 O ASP B 58 7.102 5.772 -8.858 1.00 0.00 O ATOM 2146 CB ASP B 58 5.928 8.423 -10.501 1.00 0.00 C ATOM 2147 CG ASP B 58 6.746 7.801 -11.611 1.00 0.00 C ATOM 2148 OD1 ASP B 58 6.197 6.967 -12.365 1.00 0.00 O ATOM 2149 OD2 ASP B 58 7.932 8.151 -11.748 1.00 0.00 O ATOM 0 H ASP B 58 4.351 8.979 -8.658 1.00 0.00 H new ATOM 0 HA ASP B 58 5.012 6.556 -10.007 1.00 0.00 H new ATOM 0 HB2 ASP B 58 5.060 8.924 -10.930 1.00 0.00 H new ATOM 0 HB3 ASP B 58 6.522 9.187 -10.000 1.00 0.00 H new ATOM 2154 N ASN B 59 7.142 7.732 -7.766 1.00 0.00 N ATOM 2155 CA ASN B 59 8.238 7.334 -6.886 1.00 0.00 C ATOM 2156 C ASN B 59 7.789 6.212 -5.960 1.00 0.00 C ATOM 2157 O ASN B 59 8.594 5.376 -5.556 1.00 0.00 O ATOM 2158 CB ASN B 59 8.747 8.519 -6.062 1.00 0.00 C ATOM 2159 CG ASN B 59 9.603 9.486 -6.866 1.00 0.00 C ATOM 2160 OD1 ASN B 59 10.823 9.335 -6.947 1.00 0.00 O ATOM 2161 ND2 ASN B 59 8.976 10.489 -7.457 1.00 0.00 N ATOM 0 H ASN B 59 6.803 8.683 -7.619 1.00 0.00 H new ATOM 0 HA ASN B 59 9.057 6.978 -7.511 1.00 0.00 H new ATOM 0 HB2 ASN B 59 7.895 9.057 -5.647 1.00 0.00 H new ATOM 0 HB3 ASN B 59 9.328 8.144 -5.219 1.00 0.00 H new ATOM 0 HD21 ASN B 59 9.504 11.170 -8.002 1.00 0.00 H new ATOM 0 HD22 ASN B 59 7.964 10.582 -7.367 1.00 0.00 H new ATOM 2168 N PHE B 60 6.501 6.194 -5.633 1.00 0.00 N ATOM 2169 CA PHE B 60 5.921 5.107 -4.855 1.00 0.00 C ATOM 2170 C PHE B 60 6.066 3.802 -5.624 1.00 0.00 C ATOM 2171 O PHE B 60 6.603 2.821 -5.113 1.00 0.00 O ATOM 2172 CB PHE B 60 4.442 5.382 -4.579 1.00 0.00 C ATOM 2173 CG PHE B 60 3.812 4.444 -3.589 1.00 0.00 C ATOM 2174 CD1 PHE B 60 3.956 4.654 -2.227 1.00 0.00 C ATOM 2175 CD2 PHE B 60 3.069 3.358 -4.021 1.00 0.00 C ATOM 2176 CE1 PHE B 60 3.370 3.795 -1.317 1.00 0.00 C ATOM 2177 CE2 PHE B 60 2.482 2.498 -3.115 1.00 0.00 C ATOM 2178 CZ PHE B 60 2.633 2.716 -1.761 1.00 0.00 C ATOM 0 H PHE B 60 5.838 6.923 -5.896 1.00 0.00 H new ATOM 0 HA PHE B 60 6.446 5.031 -3.903 1.00 0.00 H new ATOM 0 HB2 PHE B 60 4.337 6.403 -4.212 1.00 0.00 H new ATOM 0 HB3 PHE B 60 3.892 5.323 -5.518 1.00 0.00 H new ATOM 0 HD1 PHE B 60 4.531 5.497 -1.873 1.00 0.00 H new ATOM 0 HD2 PHE B 60 2.947 3.182 -5.080 1.00 0.00 H new ATOM 0 HE1 PHE B 60 3.489 3.968 -0.258 1.00 0.00 H new ATOM 0 HE2 PHE B 60 1.905 1.655 -3.466 1.00 0.00 H new ATOM 0 HZ PHE B 60 2.175 2.044 -1.050 1.00 0.00 H new ATOM 2188 N THR B 61 5.600 3.809 -6.868 1.00 0.00 N ATOM 2189 CA THR B 61 5.700 2.638 -7.722 1.00 0.00 C ATOM 2190 C THR B 61 7.160 2.302 -8.013 1.00 0.00 C ATOM 2191 O THR B 61 7.524 1.130 -8.133 1.00 0.00 O ATOM 2192 CB THR B 61 4.917 2.829 -9.041 1.00 0.00 C ATOM 2193 OG1 THR B 61 5.342 4.013 -9.727 1.00 0.00 O ATOM 2194 CG2 THR B 61 3.422 2.908 -8.763 1.00 0.00 C ATOM 0 H THR B 61 5.150 4.614 -7.305 1.00 0.00 H new ATOM 0 HA THR B 61 5.251 1.803 -7.185 1.00 0.00 H new ATOM 0 HB THR B 61 5.121 1.968 -9.677 1.00 0.00 H new ATOM 0 HG1 THR B 61 6.091 4.420 -9.244 1.00 0.00 H new ATOM 0 HG21 THR B 61 2.884 3.043 -9.701 1.00 0.00 H new ATOM 0 HG22 THR B 61 3.092 1.986 -8.284 1.00 0.00 H new ATOM 0 HG23 THR B 61 3.219 3.752 -8.104 1.00 0.00 H new ATOM 2202 N LYS B 62 7.994 3.336 -8.111 1.00 0.00 N ATOM 2203 CA LYS B 62 9.429 3.152 -8.276 1.00 0.00 C ATOM 2204 C LYS B 62 10.022 2.431 -7.066 1.00 0.00 C ATOM 2205 O LYS B 62 10.776 1.470 -7.211 1.00 0.00 O ATOM 2206 CB LYS B 62 10.118 4.508 -8.464 1.00 0.00 C ATOM 2207 CG LYS B 62 11.629 4.415 -8.586 1.00 0.00 C ATOM 2208 CD LYS B 62 12.043 3.596 -9.798 1.00 0.00 C ATOM 2209 CE LYS B 62 11.729 4.309 -11.106 1.00 0.00 C ATOM 2210 NZ LYS B 62 12.560 5.527 -11.291 1.00 0.00 N ATOM 0 H LYS B 62 7.696 4.311 -8.079 1.00 0.00 H new ATOM 0 HA LYS B 62 9.597 2.541 -9.163 1.00 0.00 H new ATOM 0 HB2 LYS B 62 9.719 4.987 -9.358 1.00 0.00 H new ATOM 0 HB3 LYS B 62 9.870 5.152 -7.620 1.00 0.00 H new ATOM 0 HG2 LYS B 62 12.051 5.417 -8.662 1.00 0.00 H new ATOM 0 HG3 LYS B 62 12.040 3.964 -7.683 1.00 0.00 H new ATOM 0 HD2 LYS B 62 13.112 3.388 -9.747 1.00 0.00 H new ATOM 0 HD3 LYS B 62 11.530 2.635 -9.778 1.00 0.00 H new ATOM 0 HE2 LYS B 62 11.896 3.627 -11.940 1.00 0.00 H new ATOM 0 HE3 LYS B 62 10.674 4.584 -11.125 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 12.466 5.866 -12.270 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 12.240 6.268 -10.635 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 13.556 5.300 -11.098 1.00 0.00 H new ATOM 2224 N ALA B 63 9.670 2.898 -5.875 1.00 0.00 N ATOM 2225 CA ALA B 63 10.185 2.322 -4.640 1.00 0.00 C ATOM 2226 C ALA B 63 9.704 0.890 -4.449 1.00 0.00 C ATOM 2227 O ALA B 63 10.426 0.057 -3.899 1.00 0.00 O ATOM 2228 CB ALA B 63 9.781 3.175 -3.450 1.00 0.00 C ATOM 0 H ALA B 63 9.027 3.678 -5.738 1.00 0.00 H new ATOM 0 HA ALA B 63 11.273 2.303 -4.711 1.00 0.00 H new ATOM 0 HB1 ALA B 63 10.173 2.732 -2.535 1.00 0.00 H new ATOM 0 HB2 ALA B 63 10.186 4.180 -3.569 1.00 0.00 H new ATOM 0 HB3 ALA B 63 8.694 3.226 -3.391 1.00 0.00 H new ATOM 2234 N LEU B 64 8.488 0.610 -4.898 1.00 0.00 N ATOM 2235 CA LEU B 64 7.932 -0.734 -4.819 1.00 0.00 C ATOM 2236 C LEU B 64 8.779 -1.721 -5.611 1.00 0.00 C ATOM 2237 O LEU B 64 9.306 -2.681 -5.049 1.00 0.00 O ATOM 2238 CB LEU B 64 6.488 -0.753 -5.326 1.00 0.00 C ATOM 2239 CG LEU B 64 5.460 -0.112 -4.393 1.00 0.00 C ATOM 2240 CD1 LEU B 64 4.104 -0.042 -5.068 1.00 0.00 C ATOM 2241 CD2 LEU B 64 5.363 -0.897 -3.094 1.00 0.00 C ATOM 0 H LEU B 64 7.866 1.298 -5.322 1.00 0.00 H new ATOM 0 HA LEU B 64 7.938 -1.037 -3.772 1.00 0.00 H new ATOM 0 HB2 LEU B 64 6.451 -0.241 -6.287 1.00 0.00 H new ATOM 0 HB3 LEU B 64 6.197 -1.788 -5.505 1.00 0.00 H new ATOM 0 HG LEU B 64 5.786 0.902 -4.163 1.00 0.00 H new ATOM 0 HD11 LEU B 64 3.384 0.417 -4.391 1.00 0.00 H new ATOM 0 HD12 LEU B 64 4.180 0.556 -5.976 1.00 0.00 H new ATOM 0 HD13 LEU B 64 3.772 -1.048 -5.323 1.00 0.00 H new ATOM 0 HD21 LEU B 64 4.627 -0.429 -2.440 1.00 0.00 H new ATOM 0 HD22 LEU B 64 5.057 -1.921 -3.310 1.00 0.00 H new ATOM 0 HD23 LEU B 64 6.335 -0.905 -2.600 1.00 0.00 H new ATOM 2253 N LYS B 65 8.935 -1.464 -6.909 1.00 0.00 N ATOM 2254 CA LYS B 65 9.716 -2.348 -7.773 1.00 0.00 C ATOM 2255 C LYS B 65 11.149 -2.462 -7.271 1.00 0.00 C ATOM 2256 O LYS B 65 11.744 -3.541 -7.309 1.00 0.00 O ATOM 2257 CB LYS B 65 9.701 -1.847 -9.219 1.00 0.00 C ATOM 2258 CG LYS B 65 8.332 -1.933 -9.876 1.00 0.00 C ATOM 2259 CD LYS B 65 8.367 -1.487 -11.329 1.00 0.00 C ATOM 2260 CE LYS B 65 9.261 -2.379 -12.181 1.00 0.00 C ATOM 2261 NZ LYS B 65 8.867 -3.813 -12.102 1.00 0.00 N ATOM 0 H LYS B 65 8.533 -0.655 -7.383 1.00 0.00 H new ATOM 0 HA LYS B 65 9.258 -3.337 -7.745 1.00 0.00 H new ATOM 0 HB2 LYS B 65 10.041 -0.812 -9.240 1.00 0.00 H new ATOM 0 HB3 LYS B 65 10.413 -2.429 -9.804 1.00 0.00 H new ATOM 0 HG2 LYS B 65 7.967 -2.959 -9.821 1.00 0.00 H new ATOM 0 HG3 LYS B 65 7.626 -1.313 -9.324 1.00 0.00 H new ATOM 0 HD2 LYS B 65 7.355 -1.495 -11.735 1.00 0.00 H new ATOM 0 HD3 LYS B 65 8.724 -0.459 -11.384 1.00 0.00 H new ATOM 0 HE2 LYS B 65 9.217 -2.049 -13.219 1.00 0.00 H new ATOM 0 HE3 LYS B 65 10.296 -2.270 -11.856 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 9.238 -4.321 -12.930 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 9.257 -4.233 -11.234 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 7.830 -3.888 -12.087 1.00 0.00 H new ATOM 2275 N GLN B 66 11.682 -1.343 -6.794 1.00 0.00 N ATOM 2276 CA GLN B 66 13.007 -1.304 -6.191 1.00 0.00 C ATOM 2277 C GLN B 66 13.090 -2.294 -5.033 1.00 0.00 C ATOM 2278 O GLN B 66 13.877 -3.238 -5.058 1.00 0.00 O ATOM 2279 CB GLN B 66 13.300 0.114 -5.681 1.00 0.00 C ATOM 2280 CG GLN B 66 14.698 0.303 -5.111 1.00 0.00 C ATOM 2281 CD GLN B 66 15.759 0.391 -6.187 1.00 0.00 C ATOM 2282 OE1 GLN B 66 16.345 -0.614 -6.589 1.00 0.00 O ATOM 2283 NE2 GLN B 66 15.998 1.600 -6.671 1.00 0.00 N ATOM 0 H GLN B 66 11.208 -0.440 -6.815 1.00 0.00 H new ATOM 0 HA GLN B 66 13.746 -1.580 -6.944 1.00 0.00 H new ATOM 0 HB2 GLN B 66 13.157 0.818 -6.501 1.00 0.00 H new ATOM 0 HB3 GLN B 66 12.570 0.368 -4.912 1.00 0.00 H new ATOM 0 HG2 GLN B 66 14.721 1.211 -4.508 1.00 0.00 H new ATOM 0 HG3 GLN B 66 14.930 -0.528 -4.445 1.00 0.00 H new ATOM 0 HE21 GLN B 66 15.488 2.405 -6.307 1.00 0.00 H new ATOM 0 HE22 GLN B 66 16.692 1.726 -7.408 1.00 0.00 H new ATOM 2292 N SER B 67 12.236 -2.087 -4.040 1.00 0.00 N ATOM 2293 CA SER B 67 12.274 -2.861 -2.809 1.00 0.00 C ATOM 2294 C SER B 67 11.993 -4.343 -3.059 1.00 0.00 C ATOM 2295 O SER B 67 12.614 -5.206 -2.440 1.00 0.00 O ATOM 2296 CB SER B 67 11.271 -2.289 -1.811 1.00 0.00 C ATOM 2297 OG SER B 67 11.503 -0.905 -1.608 1.00 0.00 O ATOM 0 H SER B 67 11.501 -1.381 -4.066 1.00 0.00 H new ATOM 0 HA SER B 67 13.280 -2.789 -2.396 1.00 0.00 H new ATOM 0 HB2 SER B 67 10.256 -2.443 -2.178 1.00 0.00 H new ATOM 0 HB3 SER B 67 11.351 -2.820 -0.862 1.00 0.00 H new ATOM 0 HG SER B 67 11.161 -0.400 -2.375 1.00 0.00 H new ATOM 2303 N VAL B 68 11.071 -4.639 -3.967 1.00 0.00 N ATOM 2304 CA VAL B 68 10.740 -6.026 -4.290 1.00 0.00 C ATOM 2305 C VAL B 68 11.962 -6.763 -4.842 1.00 0.00 C ATOM 2306 O VAL B 68 12.193 -7.934 -4.525 1.00 0.00 O ATOM 2307 CB VAL B 68 9.568 -6.113 -5.297 1.00 0.00 C ATOM 2308 CG1 VAL B 68 9.338 -7.548 -5.754 1.00 0.00 C ATOM 2309 CG2 VAL B 68 8.297 -5.553 -4.680 1.00 0.00 C ATOM 0 H VAL B 68 10.541 -3.943 -4.491 1.00 0.00 H new ATOM 0 HA VAL B 68 10.426 -6.507 -3.364 1.00 0.00 H new ATOM 0 HB VAL B 68 9.833 -5.516 -6.170 1.00 0.00 H new ATOM 0 HG11 VAL B 68 8.509 -7.576 -6.461 1.00 0.00 H new ATOM 0 HG12 VAL B 68 10.239 -7.925 -6.237 1.00 0.00 H new ATOM 0 HG13 VAL B 68 9.101 -8.171 -4.891 1.00 0.00 H new ATOM 0 HG21 VAL B 68 7.482 -5.621 -5.401 1.00 0.00 H new ATOM 0 HG22 VAL B 68 8.042 -6.126 -3.789 1.00 0.00 H new ATOM 0 HG23 VAL B 68 8.454 -4.509 -4.408 1.00 0.00 H new