USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 943 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 8 LYS NZ :NH3+ -160:sc= 0 (180deg=0) USER MOD Set 1.2: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 50 ASN : amide:sc= -3.38! C(o=-3.4!,f=-5.1!) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.307 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.565 K(o=-0.56,f=-1.8!) USER MOD Single : A 28 GLN : amide:sc= -0.0133 X(o=-0.013,f=-0.12) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.131 K(o=-0.13,f=-1.1) USER MOD Single : A 42 GLN : amide:sc=-0.000684 K(o=-0.00068,f=-0.74) USER MOD Single : A 44 MET CE :methyl -119:sc= -1.33 (180deg=-4.96!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 166:sc= -10.2! (180deg=-12.2!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HE2:sc= -13.6! C(o=-14!,f=-23!) USER MOD Single : A 53 HIS : no HD1:sc= -0.329 K(o=-0.33,f=-1.9) USER MOD Single : A 57 SER OG : rot 180:sc= -0.766! USER MOD Single : A 60 ASN : amide:sc= 0.997 K(o=1,f=-0.45) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 153:sc= -0.319 (180deg=-0.807) USER MOD Single : A 71 GLN : amide:sc= -0.0357 X(o=-0.036,f=-0.2) USER MOD Single : A 76 ASN : amide:sc= -0.0275 X(o=-0.027,f=-0.014) USER MOD Single : A 79 THR OG1 : rot 144:sc= -1.87! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.797! USER MOD Single : A 90 GLN : amide:sc=-0.00375 X(o=-0.0037,f=0) USER MOD Single : A 97 GLN : amide:sc= -0.0767 X(o=-0.077,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.149 X(o=-0.15,f=-0.32) USER MOD Single : A 106 ASN :FLIP amide:sc= 0.0842 F(o=-4.5!,f=0.084) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.0184 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 95 N ILE A 7 -3.081 -9.651 -10.204 1.00 0.00 N ATOM 96 CA ILE A 7 -2.932 -8.319 -9.645 1.00 0.00 C ATOM 97 C ILE A 7 -4.070 -8.055 -8.656 1.00 0.00 C ATOM 98 O ILE A 7 -5.226 -8.367 -8.937 1.00 0.00 O ATOM 99 CB ILE A 7 -2.833 -7.277 -10.761 1.00 0.00 C ATOM 100 CG1 ILE A 7 -1.725 -7.640 -11.752 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.649 -5.872 -10.186 1.00 0.00 C ATOM 102 CD1 ILE A 7 -2.311 -8.232 -13.036 1.00 0.00 C ATOM 0 HA ILE A 7 -1.999 -8.243 -9.086 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.773 -7.278 -11.313 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.140 -6.752 -11.991 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.043 -8.357 -11.295 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.582 -5.151 -11.001 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.500 -5.624 -9.552 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.734 -5.838 -9.595 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.503 -8.481 -13.724 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.875 -9.133 -12.797 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.973 -7.503 -13.504 1.00 0.00 H new ATOM 114 N LYS A 8 -3.702 -7.482 -7.519 1.00 0.00 N ATOM 115 CA LYS A 8 -4.677 -7.172 -6.488 1.00 0.00 C ATOM 116 C LYS A 8 -4.203 -5.953 -5.694 1.00 0.00 C ATOM 117 O LYS A 8 -3.017 -5.824 -5.396 1.00 0.00 O ATOM 118 CB LYS A 8 -4.950 -8.403 -5.621 1.00 0.00 C ATOM 119 CG LYS A 8 -6.344 -8.969 -5.896 1.00 0.00 C ATOM 120 CD LYS A 8 -7.431 -8.037 -5.356 1.00 0.00 C ATOM 121 CE LYS A 8 -7.435 -8.027 -3.826 1.00 0.00 C ATOM 122 NZ LYS A 8 -8.567 -8.824 -3.305 1.00 0.00 N ATOM 0 H LYS A 8 -2.742 -7.225 -7.290 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.635 -6.908 -6.936 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.198 -9.166 -5.820 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.863 -8.137 -4.568 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.479 -9.108 -6.969 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.439 -9.951 -5.433 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.267 -7.026 -5.729 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.406 -8.358 -5.724 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.495 -8.432 -3.451 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.507 -7.002 -3.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.765 -8.545 -2.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.410 -8.654 -3.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.323 -9.835 -3.335 1.00 0.00 H new ATOM 136 N VAL A 9 -5.156 -5.089 -5.372 1.00 0.00 N ATOM 137 CA VAL A 9 -4.850 -3.885 -4.618 1.00 0.00 C ATOM 138 C VAL A 9 -5.758 -3.815 -3.389 1.00 0.00 C ATOM 139 O VAL A 9 -6.962 -4.048 -3.488 1.00 0.00 O ATOM 140 CB VAL A 9 -4.971 -2.657 -5.523 1.00 0.00 C ATOM 141 CG1 VAL A 9 -3.596 -2.198 -6.010 1.00 0.00 C ATOM 142 CG2 VAL A 9 -5.906 -2.934 -6.701 1.00 0.00 C ATOM 0 H VAL A 9 -6.139 -5.199 -5.620 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.821 -3.908 -4.260 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.405 -1.849 -4.935 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.710 -1.324 -6.651 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.974 -1.940 -5.153 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.123 -3.002 -6.574 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.974 -2.045 -7.328 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.514 -3.764 -7.289 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.897 -3.191 -6.326 1.00 0.00 H new ATOM 152 N LEU A 10 -5.147 -3.492 -2.259 1.00 0.00 N ATOM 153 CA LEU A 10 -5.885 -3.387 -1.012 1.00 0.00 C ATOM 154 C LEU A 10 -5.843 -1.939 -0.519 1.00 0.00 C ATOM 155 O LEU A 10 -4.767 -1.379 -0.318 1.00 0.00 O ATOM 156 CB LEU A 10 -5.360 -4.399 0.007 1.00 0.00 C ATOM 157 CG LEU A 10 -5.251 -3.903 1.451 1.00 0.00 C ATOM 158 CD1 LEU A 10 -4.002 -3.041 1.641 1.00 0.00 C ATOM 159 CD2 LEU A 10 -6.525 -3.167 1.875 1.00 0.00 C ATOM 0 H LEU A 10 -4.148 -3.299 -2.181 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.934 -3.640 -1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.013 -5.272 -0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.374 -4.733 -0.317 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.147 -4.770 2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.948 -2.701 2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.115 -3.629 1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.052 -2.177 0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.422 -2.825 2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.684 -2.309 1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.377 -3.842 1.801 1.00 0.00 H new ATOM 171 N ILE A 11 -7.028 -1.374 -0.338 1.00 0.00 N ATOM 172 CA ILE A 11 -7.140 -0.002 0.128 1.00 0.00 C ATOM 173 C ILE A 11 -7.864 0.017 1.475 1.00 0.00 C ATOM 174 O ILE A 11 -9.089 0.118 1.523 1.00 0.00 O ATOM 175 CB ILE A 11 -7.801 0.874 -0.939 1.00 0.00 C ATOM 176 CG1 ILE A 11 -9.115 0.254 -1.419 1.00 0.00 C ATOM 177 CG2 ILE A 11 -6.839 1.148 -2.097 1.00 0.00 C ATOM 178 CD1 ILE A 11 -8.863 -0.791 -2.508 1.00 0.00 C ATOM 0 H ILE A 11 -7.919 -1.841 -0.506 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.151 0.427 0.292 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.044 1.836 -0.489 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.631 -0.209 -0.578 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.770 1.035 -1.804 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.334 1.772 -2.841 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.955 1.663 -1.721 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.542 0.204 -2.555 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.813 -1.216 -2.831 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.369 -0.319 -3.357 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.227 -1.583 -2.112 1.00 0.00 H new ATOM 190 N VAL A 12 -7.077 -0.083 2.536 1.00 0.00 N ATOM 191 CA VAL A 12 -7.628 -0.079 3.880 1.00 0.00 C ATOM 192 C VAL A 12 -6.957 1.026 4.698 1.00 0.00 C ATOM 193 O VAL A 12 -5.742 1.207 4.626 1.00 0.00 O ATOM 194 CB VAL A 12 -7.478 -1.464 4.511 1.00 0.00 C ATOM 195 CG1 VAL A 12 -6.033 -1.717 4.945 1.00 0.00 C ATOM 196 CG2 VAL A 12 -8.442 -1.637 5.687 1.00 0.00 C ATOM 0 H VAL A 12 -6.061 -0.167 2.492 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.696 0.138 3.854 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.734 -2.206 3.755 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.955 -2.709 5.390 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.376 -1.656 4.077 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.736 -0.966 5.677 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.315 -2.630 6.118 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.230 -0.883 6.445 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.468 -1.522 5.337 1.00 0.00 H new ATOM 206 N ASP A 13 -7.776 1.738 5.458 1.00 0.00 N ATOM 207 CA ASP A 13 -7.277 2.821 6.288 1.00 0.00 C ATOM 208 C ASP A 13 -8.117 2.908 7.564 1.00 0.00 C ATOM 209 O ASP A 13 -9.138 2.232 7.687 1.00 0.00 O ATOM 210 CB ASP A 13 -7.378 4.163 5.563 1.00 0.00 C ATOM 211 CG ASP A 13 -6.803 4.177 4.145 1.00 0.00 C ATOM 212 OD1 ASP A 13 -7.130 3.235 3.391 1.00 0.00 O ATOM 213 OD2 ASP A 13 -6.048 5.129 3.848 1.00 0.00 O ATOM 0 H ASP A 13 -8.783 1.586 5.516 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.232 2.615 6.519 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.427 4.456 5.516 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.862 4.919 6.155 1.00 0.00 H new ATOM 218 N ASP A 14 -7.657 3.746 8.481 1.00 0.00 N ATOM 219 CA ASP A 14 -8.354 3.930 9.743 1.00 0.00 C ATOM 220 C ASP A 14 -9.568 4.835 9.523 1.00 0.00 C ATOM 221 O ASP A 14 -10.475 4.875 10.352 1.00 0.00 O ATOM 222 CB ASP A 14 -7.448 4.599 10.779 1.00 0.00 C ATOM 223 CG ASP A 14 -7.706 4.182 12.229 1.00 0.00 C ATOM 224 OD1 ASP A 14 -8.875 4.300 12.654 1.00 0.00 O ATOM 225 OD2 ASP A 14 -6.728 3.753 12.878 1.00 0.00 O ATOM 0 H ASP A 14 -6.810 4.305 8.376 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.657 2.948 10.108 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.411 4.375 10.531 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.568 5.680 10.701 1.00 0.00 H new ATOM 230 N GLN A 15 -9.546 5.538 8.400 1.00 0.00 N ATOM 231 CA GLN A 15 -10.634 6.440 8.060 1.00 0.00 C ATOM 232 C GLN A 15 -10.914 6.389 6.556 1.00 0.00 C ATOM 233 O GLN A 15 -9.988 6.417 5.747 1.00 0.00 O ATOM 234 CB GLN A 15 -10.325 7.868 8.512 1.00 0.00 C ATOM 235 CG GLN A 15 -11.583 8.561 9.038 1.00 0.00 C ATOM 236 CD GLN A 15 -11.335 9.175 10.418 1.00 0.00 C ATOM 237 OE1 GLN A 15 -11.138 10.371 10.567 1.00 0.00 O ATOM 238 NE2 GLN A 15 -11.355 8.295 11.414 1.00 0.00 N ATOM 0 H GLN A 15 -8.792 5.501 7.714 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.530 6.113 8.589 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.563 7.850 9.291 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -9.914 8.436 7.678 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -11.893 9.339 8.340 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.400 7.842 9.097 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -11.526 7.308 11.219 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -11.200 8.606 12.373 1.00 0.00 H new ATOM 247 N VAL A 16 -12.196 6.317 6.228 1.00 0.00 N ATOM 248 CA VAL A 16 -12.609 6.263 4.836 1.00 0.00 C ATOM 249 C VAL A 16 -11.934 7.398 4.063 1.00 0.00 C ATOM 250 O VAL A 16 -11.311 7.164 3.029 1.00 0.00 O ATOM 251 CB VAL A 16 -14.136 6.301 4.743 1.00 0.00 C ATOM 252 CG1 VAL A 16 -14.721 4.888 4.746 1.00 0.00 C ATOM 253 CG2 VAL A 16 -14.734 7.145 5.870 1.00 0.00 C ATOM 0 H VAL A 16 -12.962 6.295 6.902 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.291 5.326 4.379 1.00 0.00 H new ATOM 0 HB VAL A 16 -14.402 6.771 3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.808 4.944 4.679 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.333 4.332 3.893 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.440 4.380 5.668 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -15.820 7.155 5.780 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.454 6.718 6.833 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -14.355 8.165 5.801 1.00 0.00 H new ATOM 263 N THR A 17 -12.080 8.603 4.595 1.00 0.00 N ATOM 264 CA THR A 17 -11.492 9.774 3.969 1.00 0.00 C ATOM 265 C THR A 17 -10.101 9.445 3.424 1.00 0.00 C ATOM 266 O THR A 17 -9.817 9.684 2.251 1.00 0.00 O ATOM 267 CB THR A 17 -11.491 10.908 4.996 1.00 0.00 C ATOM 268 OG1 THR A 17 -10.655 10.427 6.044 1.00 0.00 O ATOM 269 CG2 THR A 17 -12.855 11.096 5.663 1.00 0.00 C ATOM 0 H THR A 17 -12.597 8.793 5.453 1.00 0.00 H new ATOM 0 HA THR A 17 -12.075 10.098 3.107 1.00 0.00 H new ATOM 0 HB THR A 17 -11.194 11.837 4.510 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.597 11.102 6.752 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.799 11.913 6.383 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.602 11.331 4.905 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.138 10.178 6.178 1.00 0.00 H new ATOM 277 N SER A 18 -9.270 8.903 4.303 1.00 0.00 N ATOM 278 CA SER A 18 -7.915 8.539 3.924 1.00 0.00 C ATOM 279 C SER A 18 -7.945 7.440 2.860 1.00 0.00 C ATOM 280 O SER A 18 -7.330 7.577 1.803 1.00 0.00 O ATOM 281 CB SER A 18 -7.108 8.079 5.140 1.00 0.00 C ATOM 282 OG SER A 18 -6.816 9.156 6.026 1.00 0.00 O ATOM 0 H SER A 18 -9.509 8.707 5.275 1.00 0.00 H new ATOM 0 HA SER A 18 -7.427 9.422 3.510 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.665 7.310 5.675 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.177 7.622 4.805 1.00 0.00 H new ATOM 0 HG SER A 18 -6.301 8.821 6.790 1.00 0.00 H new ATOM 288 N ARG A 19 -8.668 6.376 3.176 1.00 0.00 N ATOM 289 CA ARG A 19 -8.787 5.254 2.260 1.00 0.00 C ATOM 290 C ARG A 19 -9.507 5.686 0.981 1.00 0.00 C ATOM 291 O ARG A 19 -8.888 5.793 -0.077 1.00 0.00 O ATOM 292 CB ARG A 19 -9.556 4.097 2.903 1.00 0.00 C ATOM 293 CG ARG A 19 -9.478 2.839 2.035 1.00 0.00 C ATOM 294 CD ARG A 19 -10.691 2.736 1.108 1.00 0.00 C ATOM 295 NE ARG A 19 -11.940 2.783 1.901 1.00 0.00 N ATOM 296 CZ ARG A 19 -12.349 1.803 2.718 1.00 0.00 C ATOM 297 NH1 ARG A 19 -11.611 0.693 2.853 1.00 0.00 N ATOM 298 NH2 ARG A 19 -13.497 1.932 3.397 1.00 0.00 N ATOM 0 H ARG A 19 -9.177 6.267 4.053 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.779 4.916 2.018 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.146 3.888 3.891 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.599 4.382 3.044 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.563 2.858 1.442 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.427 1.956 2.672 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.678 3.553 0.386 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.646 1.807 0.539 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.526 3.614 1.820 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.738 0.594 2.334 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.922 -0.053 3.475 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.060 2.776 3.292 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.808 1.186 4.019 1.00 0.00 H new ATOM 312 N LEU A 20 -10.802 5.924 1.120 1.00 0.00 N ATOM 313 CA LEU A 20 -11.611 6.343 -0.012 1.00 0.00 C ATOM 314 C LEU A 20 -10.814 7.330 -0.867 1.00 0.00 C ATOM 315 O LEU A 20 -10.998 7.393 -2.081 1.00 0.00 O ATOM 316 CB LEU A 20 -12.957 6.892 0.467 1.00 0.00 C ATOM 317 CG LEU A 20 -13.242 8.356 0.129 1.00 0.00 C ATOM 318 CD1 LEU A 20 -14.625 8.776 0.631 1.00 0.00 C ATOM 319 CD2 LEU A 20 -12.137 9.268 0.666 1.00 0.00 C ATOM 0 H LEU A 20 -11.312 5.835 1.999 1.00 0.00 H new ATOM 0 HA LEU A 20 -11.847 5.490 -0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -13.750 6.280 0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -13.012 6.772 1.549 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.248 8.461 -0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.802 9.821 0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.387 8.154 0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.673 8.652 1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.364 10.303 0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.075 9.165 1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.183 8.986 0.220 1.00 0.00 H new ATOM 331 N LEU A 21 -9.945 8.074 -0.199 1.00 0.00 N ATOM 332 CA LEU A 21 -9.119 9.055 -0.882 1.00 0.00 C ATOM 333 C LEU A 21 -8.122 8.331 -1.790 1.00 0.00 C ATOM 334 O LEU A 21 -8.024 8.635 -2.978 1.00 0.00 O ATOM 335 CB LEU A 21 -8.460 9.997 0.126 1.00 0.00 C ATOM 336 CG LEU A 21 -9.252 11.258 0.483 1.00 0.00 C ATOM 337 CD1 LEU A 21 -8.760 11.858 1.802 1.00 0.00 C ATOM 338 CD2 LEU A 21 -9.210 12.273 -0.661 1.00 0.00 C ATOM 0 H LEU A 21 -9.795 8.017 0.808 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.732 9.690 -1.522 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.269 9.440 1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.491 10.300 -0.270 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.296 10.978 0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.339 12.752 2.033 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.884 11.129 2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.706 12.121 1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.780 13.159 -0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.176 12.554 -0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.644 11.829 -1.557 1.00 0.00 H new ATOM 350 N LEU A 22 -7.406 7.388 -1.195 1.00 0.00 N ATOM 351 CA LEU A 22 -6.420 6.619 -1.936 1.00 0.00 C ATOM 352 C LEU A 22 -7.137 5.681 -2.909 1.00 0.00 C ATOM 353 O LEU A 22 -6.762 5.587 -4.076 1.00 0.00 O ATOM 354 CB LEU A 22 -5.471 5.899 -0.975 1.00 0.00 C ATOM 355 CG LEU A 22 -6.131 5.003 0.075 1.00 0.00 C ATOM 356 CD1 LEU A 22 -6.703 3.737 -0.566 1.00 0.00 C ATOM 357 CD2 LEU A 22 -5.158 4.680 1.210 1.00 0.00 C ATOM 0 H LEU A 22 -7.489 7.139 -0.209 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.792 7.280 -2.534 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.784 5.290 -1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.871 6.649 -0.459 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.967 5.549 0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.166 3.118 0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.450 4.012 -1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.900 3.178 -1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.652 4.042 1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.288 4.163 0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.840 5.605 1.691 1.00 0.00 H new ATOM 369 N GLY A 23 -8.156 5.010 -2.392 1.00 0.00 N ATOM 370 CA GLY A 23 -8.929 4.082 -3.200 1.00 0.00 C ATOM 371 C GLY A 23 -9.518 4.784 -4.427 1.00 0.00 C ATOM 372 O GLY A 23 -9.696 4.165 -5.475 1.00 0.00 O ATOM 0 H GLY A 23 -8.464 5.091 -1.423 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.294 3.255 -3.519 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.732 3.654 -2.601 1.00 0.00 H new ATOM 376 N ASP A 24 -9.804 6.065 -4.255 1.00 0.00 N ATOM 377 CA ASP A 24 -10.368 6.857 -5.334 1.00 0.00 C ATOM 378 C ASP A 24 -9.271 7.186 -6.349 1.00 0.00 C ATOM 379 O ASP A 24 -9.467 7.031 -7.553 1.00 0.00 O ATOM 380 CB ASP A 24 -10.938 8.177 -4.811 1.00 0.00 C ATOM 381 CG ASP A 24 -12.421 8.139 -4.438 1.00 0.00 C ATOM 382 OD1 ASP A 24 -12.998 7.033 -4.519 1.00 0.00 O ATOM 383 OD2 ASP A 24 -12.945 9.216 -4.080 1.00 0.00 O ATOM 0 H ASP A 24 -9.656 6.575 -3.384 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.167 6.276 -5.794 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.366 8.480 -3.934 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.789 8.945 -5.570 1.00 0.00 H new ATOM 388 N ALA A 25 -8.140 7.634 -5.824 1.00 0.00 N ATOM 389 CA ALA A 25 -7.011 7.985 -6.669 1.00 0.00 C ATOM 390 C ALA A 25 -6.441 6.716 -7.306 1.00 0.00 C ATOM 391 O ALA A 25 -6.194 6.679 -8.510 1.00 0.00 O ATOM 392 CB ALA A 25 -5.968 8.740 -5.841 1.00 0.00 C ATOM 0 H ALA A 25 -7.981 7.762 -4.825 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.328 8.646 -7.476 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.121 9.003 -6.475 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.414 9.648 -5.435 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.625 8.107 -5.022 1.00 0.00 H new ATOM 398 N LEU A 26 -6.250 5.706 -6.469 1.00 0.00 N ATOM 399 CA LEU A 26 -5.714 4.439 -6.935 1.00 0.00 C ATOM 400 C LEU A 26 -6.592 3.905 -8.069 1.00 0.00 C ATOM 401 O LEU A 26 -6.089 3.552 -9.134 1.00 0.00 O ATOM 402 CB LEU A 26 -5.555 3.463 -5.769 1.00 0.00 C ATOM 403 CG LEU A 26 -4.265 3.592 -4.956 1.00 0.00 C ATOM 404 CD1 LEU A 26 -3.060 3.814 -5.873 1.00 0.00 C ATOM 405 CD2 LEU A 26 -4.391 4.690 -3.898 1.00 0.00 C ATOM 0 H LEU A 26 -6.457 5.740 -5.471 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.713 4.576 -7.344 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.401 3.594 -5.094 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.614 2.448 -6.161 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.099 2.654 -4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.156 3.902 -5.271 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.961 2.969 -6.554 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.204 4.729 -6.448 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.461 4.761 -3.334 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.593 5.644 -4.386 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.209 4.449 -3.219 1.00 0.00 H new ATOM 417 N GLN A 27 -7.889 3.863 -7.800 1.00 0.00 N ATOM 418 CA GLN A 27 -8.841 3.377 -8.784 1.00 0.00 C ATOM 419 C GLN A 27 -8.805 4.256 -10.036 1.00 0.00 C ATOM 420 O GLN A 27 -9.015 3.769 -11.146 1.00 0.00 O ATOM 421 CB GLN A 27 -10.253 3.319 -8.197 1.00 0.00 C ATOM 422 CG GLN A 27 -10.860 4.719 -8.084 1.00 0.00 C ATOM 423 CD GLN A 27 -12.382 4.647 -7.942 1.00 0.00 C ATOM 424 OE1 GLN A 27 -13.006 3.627 -8.182 1.00 0.00 O ATOM 425 NE2 GLN A 27 -12.941 5.786 -7.541 1.00 0.00 N ATOM 0 H GLN A 27 -8.302 4.157 -6.915 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.557 2.363 -9.066 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.887 2.694 -8.827 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.222 2.852 -7.213 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.435 5.235 -7.223 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.601 5.304 -8.966 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.359 6.603 -7.357 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.952 5.842 -7.417 1.00 0.00 H new ATOM 434 N GLN A 28 -8.536 5.534 -9.816 1.00 0.00 N ATOM 435 CA GLN A 28 -8.469 6.485 -10.913 1.00 0.00 C ATOM 436 C GLN A 28 -7.145 6.333 -11.666 1.00 0.00 C ATOM 437 O GLN A 28 -6.976 6.890 -12.750 1.00 0.00 O ATOM 438 CB GLN A 28 -8.652 7.918 -10.409 1.00 0.00 C ATOM 439 CG GLN A 28 -9.222 8.817 -11.508 1.00 0.00 C ATOM 440 CD GLN A 28 -10.751 8.798 -11.494 1.00 0.00 C ATOM 441 OE1 GLN A 28 -11.392 9.046 -10.485 1.00 0.00 O ATOM 442 NE2 GLN A 28 -11.299 8.490 -12.666 1.00 0.00 N ATOM 0 H GLN A 28 -8.362 5.934 -8.894 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.285 6.272 -11.604 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.320 7.922 -9.548 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -7.694 8.314 -10.071 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.866 9.838 -11.369 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.860 8.483 -12.480 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.704 8.293 -13.471 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.314 8.450 -12.760 1.00 0.00 H new ATOM 451 N LEU A 29 -6.241 5.577 -11.063 1.00 0.00 N ATOM 452 CA LEU A 29 -4.938 5.345 -11.662 1.00 0.00 C ATOM 453 C LEU A 29 -5.060 4.260 -12.734 1.00 0.00 C ATOM 454 O LEU A 29 -4.587 4.435 -13.856 1.00 0.00 O ATOM 455 CB LEU A 29 -3.900 5.029 -10.584 1.00 0.00 C ATOM 456 CG LEU A 29 -3.579 3.548 -10.375 1.00 0.00 C ATOM 457 CD1 LEU A 29 -2.645 3.029 -11.470 1.00 0.00 C ATOM 458 CD2 LEU A 29 -3.013 3.302 -8.975 1.00 0.00 C ATOM 0 H LEU A 29 -6.385 5.116 -10.164 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.582 6.247 -12.159 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.975 5.549 -10.835 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.251 5.441 -9.638 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.508 2.983 -10.451 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.433 1.974 -11.297 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.123 3.149 -12.442 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.713 3.594 -11.451 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.793 2.241 -8.853 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.098 3.879 -8.846 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.744 3.610 -8.228 1.00 0.00 H new ATOM 470 N GLY A 30 -5.700 3.165 -12.352 1.00 0.00 N ATOM 471 CA GLY A 30 -5.890 2.051 -13.266 1.00 0.00 C ATOM 472 C GLY A 30 -5.519 0.725 -12.601 1.00 0.00 C ATOM 473 O GLY A 30 -4.747 -0.057 -13.155 1.00 0.00 O ATOM 0 H GLY A 30 -6.094 3.025 -11.422 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.929 2.019 -13.594 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.279 2.199 -14.156 1.00 0.00 H new ATOM 477 N PHE A 31 -6.084 0.513 -11.422 1.00 0.00 N ATOM 478 CA PHE A 31 -5.822 -0.706 -10.675 1.00 0.00 C ATOM 479 C PHE A 31 -6.583 -1.891 -11.275 1.00 0.00 C ATOM 480 O PHE A 31 -7.535 -1.703 -12.029 1.00 0.00 O ATOM 481 CB PHE A 31 -6.313 -0.469 -9.246 1.00 0.00 C ATOM 482 CG PHE A 31 -5.214 -0.040 -8.272 1.00 0.00 C ATOM 483 CD1 PHE A 31 -3.976 0.272 -8.740 1.00 0.00 C ATOM 484 CD2 PHE A 31 -5.475 0.028 -6.940 1.00 0.00 C ATOM 485 CE1 PHE A 31 -2.956 0.671 -7.836 1.00 0.00 C ATOM 486 CE2 PHE A 31 -4.455 0.426 -6.036 1.00 0.00 C ATOM 487 CZ PHE A 31 -3.216 0.739 -6.503 1.00 0.00 C ATOM 0 H PHE A 31 -6.722 1.164 -10.965 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.758 -0.940 -10.705 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.089 0.296 -9.262 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.775 -1.384 -8.875 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.769 0.216 -9.798 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.458 -0.221 -6.569 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.973 0.921 -8.207 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.663 0.480 -4.978 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.440 1.041 -5.816 1.00 0.00 H new ATOM 497 N LYS A 32 -6.134 -3.085 -10.914 1.00 0.00 N ATOM 498 CA LYS A 32 -6.760 -4.299 -11.406 1.00 0.00 C ATOM 499 C LYS A 32 -8.016 -4.590 -10.583 1.00 0.00 C ATOM 500 O LYS A 32 -9.127 -4.571 -11.111 1.00 0.00 O ATOM 501 CB LYS A 32 -5.754 -5.452 -11.422 1.00 0.00 C ATOM 502 CG LYS A 32 -5.447 -5.893 -12.855 1.00 0.00 C ATOM 503 CD LYS A 32 -4.469 -4.928 -13.527 1.00 0.00 C ATOM 504 CE LYS A 32 -4.377 -5.200 -15.030 1.00 0.00 C ATOM 505 NZ LYS A 32 -3.313 -4.373 -15.642 1.00 0.00 N ATOM 0 H LYS A 32 -5.344 -3.236 -10.287 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.079 -4.171 -12.440 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.833 -5.143 -10.928 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.152 -6.294 -10.856 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.025 -6.898 -12.848 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.371 -5.940 -13.431 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.792 -3.901 -13.359 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.483 -5.030 -13.074 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.169 -6.256 -15.202 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.334 -4.982 -15.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.264 -4.570 -16.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.527 -3.366 -15.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.399 -4.601 -15.201 1.00 0.00 H new ATOM 519 N GLN A 33 -7.799 -4.853 -9.303 1.00 0.00 N ATOM 520 CA GLN A 33 -8.899 -5.147 -8.402 1.00 0.00 C ATOM 521 C GLN A 33 -8.697 -4.431 -7.065 1.00 0.00 C ATOM 522 O GLN A 33 -7.780 -4.760 -6.313 1.00 0.00 O ATOM 523 CB GLN A 33 -9.053 -6.656 -8.198 1.00 0.00 C ATOM 524 CG GLN A 33 -10.430 -7.134 -8.661 1.00 0.00 C ATOM 525 CD GLN A 33 -10.379 -8.596 -9.113 1.00 0.00 C ATOM 526 OE1 GLN A 33 -9.414 -9.058 -9.697 1.00 0.00 O ATOM 527 NE2 GLN A 33 -11.471 -9.294 -8.809 1.00 0.00 N ATOM 0 H GLN A 33 -6.876 -4.869 -8.868 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.820 -4.779 -8.853 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.276 -7.183 -8.752 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.915 -6.900 -7.145 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.149 -7.025 -7.849 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.779 -6.508 -9.482 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.244 -8.844 -8.318 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.535 -10.279 -9.067 1.00 0.00 H new ATOM 536 N ILE A 34 -9.568 -3.466 -6.808 1.00 0.00 N ATOM 537 CA ILE A 34 -9.496 -2.700 -5.576 1.00 0.00 C ATOM 538 C ILE A 34 -10.260 -3.441 -4.476 1.00 0.00 C ATOM 539 O ILE A 34 -11.380 -3.900 -4.695 1.00 0.00 O ATOM 540 CB ILE A 34 -9.982 -1.268 -5.805 1.00 0.00 C ATOM 541 CG1 ILE A 34 -8.803 -0.312 -5.990 1.00 0.00 C ATOM 542 CG2 ILE A 34 -10.914 -0.818 -4.677 1.00 0.00 C ATOM 543 CD1 ILE A 34 -9.257 1.145 -5.893 1.00 0.00 C ATOM 0 H ILE A 34 -10.328 -3.197 -7.433 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.462 -2.610 -5.243 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.561 -1.247 -6.728 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.046 -0.512 -5.232 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.337 -0.487 -6.960 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -11.245 0.203 -4.864 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -11.780 -1.478 -4.635 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.381 -0.858 -3.727 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.399 1.803 -6.028 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.996 1.348 -6.668 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.700 1.323 -4.913 1.00 0.00 H new ATOM 555 N THR A 35 -9.624 -3.533 -3.317 1.00 0.00 N ATOM 556 CA THR A 35 -10.230 -4.210 -2.184 1.00 0.00 C ATOM 557 C THR A 35 -10.024 -3.396 -0.905 1.00 0.00 C ATOM 558 O THR A 35 -8.898 -3.251 -0.432 1.00 0.00 O ATOM 559 CB THR A 35 -9.644 -5.622 -2.106 1.00 0.00 C ATOM 560 OG1 THR A 35 -10.773 -6.453 -1.848 1.00 0.00 O ATOM 561 CG2 THR A 35 -8.748 -5.817 -0.882 1.00 0.00 C ATOM 0 H THR A 35 -8.696 -3.150 -3.139 1.00 0.00 H new ATOM 0 HA THR A 35 -11.309 -4.297 -2.307 1.00 0.00 H new ATOM 0 HB THR A 35 -9.071 -5.828 -3.010 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.484 -7.387 -1.784 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.358 -6.835 -0.875 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.918 -5.111 -0.922 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.328 -5.644 0.025 1.00 0.00 H new ATOM 569 N ALA A 36 -11.129 -2.887 -0.381 1.00 0.00 N ATOM 570 CA ALA A 36 -11.083 -2.092 0.834 1.00 0.00 C ATOM 571 C ALA A 36 -11.425 -2.979 2.033 1.00 0.00 C ATOM 572 O ALA A 36 -12.175 -3.945 1.901 1.00 0.00 O ATOM 573 CB ALA A 36 -12.035 -0.901 0.700 1.00 0.00 C ATOM 0 H ALA A 36 -12.062 -3.010 -0.776 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.081 -1.694 0.994 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.001 -0.304 1.611 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.732 -0.287 -0.148 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -13.051 -1.263 0.541 1.00 0.00 H new ATOM 579 N ALA A 37 -10.858 -2.619 3.175 1.00 0.00 N ATOM 580 CA ALA A 37 -11.093 -3.371 4.397 1.00 0.00 C ATOM 581 C ALA A 37 -11.310 -2.397 5.556 1.00 0.00 C ATOM 582 O ALA A 37 -11.309 -1.183 5.359 1.00 0.00 O ATOM 583 CB ALA A 37 -9.920 -4.322 4.645 1.00 0.00 C ATOM 0 H ALA A 37 -10.237 -1.817 3.280 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.992 -3.980 4.306 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.096 -4.886 5.561 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.827 -5.012 3.806 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -9.000 -3.746 4.744 1.00 0.00 H new ATOM 589 N GLY A 38 -11.491 -2.966 6.739 1.00 0.00 N ATOM 590 CA GLY A 38 -11.708 -2.163 7.930 1.00 0.00 C ATOM 591 C GLY A 38 -10.512 -1.249 8.202 1.00 0.00 C ATOM 592 O GLY A 38 -10.661 -0.030 8.277 1.00 0.00 O ATOM 0 H GLY A 38 -11.492 -3.974 6.898 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.609 -1.562 7.808 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.874 -2.815 8.787 1.00 0.00 H new ATOM 596 N ASP A 39 -9.351 -1.872 8.340 1.00 0.00 N ATOM 597 CA ASP A 39 -8.130 -1.131 8.602 1.00 0.00 C ATOM 598 C ASP A 39 -6.965 -2.111 8.758 1.00 0.00 C ATOM 599 O ASP A 39 -7.178 -3.318 8.873 1.00 0.00 O ATOM 600 CB ASP A 39 -8.242 -0.320 9.894 1.00 0.00 C ATOM 601 CG ASP A 39 -9.333 -0.791 10.858 1.00 0.00 C ATOM 602 OD1 ASP A 39 -9.221 -1.946 11.323 1.00 0.00 O ATOM 603 OD2 ASP A 39 -10.255 0.015 11.110 1.00 0.00 O ATOM 0 H ASP A 39 -9.230 -2.883 8.275 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.963 -0.453 7.765 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.283 -0.352 10.410 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.430 0.722 9.636 1.00 0.00 H new ATOM 608 N GLY A 40 -5.762 -1.557 8.758 1.00 0.00 N ATOM 609 CA GLY A 40 -4.565 -2.368 8.899 1.00 0.00 C ATOM 610 C GLY A 40 -4.857 -3.836 8.585 1.00 0.00 C ATOM 611 O GLY A 40 -5.137 -4.186 7.440 1.00 0.00 O ATOM 0 H GLY A 40 -5.590 -0.556 8.663 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.789 -1.997 8.230 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.179 -2.279 9.915 1.00 0.00 H new ATOM 615 N GLU A 41 -4.783 -4.657 9.623 1.00 0.00 N ATOM 616 CA GLU A 41 -5.035 -6.079 9.473 1.00 0.00 C ATOM 617 C GLU A 41 -6.369 -6.309 8.757 1.00 0.00 C ATOM 618 O GLU A 41 -6.427 -7.029 7.761 1.00 0.00 O ATOM 619 CB GLU A 41 -5.012 -6.787 10.829 1.00 0.00 C ATOM 620 CG GLU A 41 -6.317 -6.552 11.592 1.00 0.00 C ATOM 621 CD GLU A 41 -6.299 -7.269 12.944 1.00 0.00 C ATOM 622 OE1 GLU A 41 -5.249 -7.871 13.252 1.00 0.00 O ATOM 623 OE2 GLU A 41 -7.337 -7.198 13.637 1.00 0.00 O ATOM 0 H GLU A 41 -4.552 -4.363 10.572 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.239 -6.507 8.864 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.860 -7.856 10.682 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.171 -6.423 11.419 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.465 -5.483 11.745 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.159 -6.909 10.998 1.00 0.00 H new ATOM 630 N GLN A 42 -7.406 -5.683 9.292 1.00 0.00 N ATOM 631 CA GLN A 42 -8.735 -5.809 8.716 1.00 0.00 C ATOM 632 C GLN A 42 -8.650 -5.844 7.189 1.00 0.00 C ATOM 633 O GLN A 42 -9.496 -6.448 6.531 1.00 0.00 O ATOM 634 CB GLN A 42 -9.647 -4.676 9.189 1.00 0.00 C ATOM 635 CG GLN A 42 -10.709 -5.196 10.160 1.00 0.00 C ATOM 636 CD GLN A 42 -11.975 -5.618 9.412 1.00 0.00 C ATOM 637 OE1 GLN A 42 -11.957 -5.928 8.232 1.00 0.00 O ATOM 638 NE2 GLN A 42 -13.073 -5.612 10.163 1.00 0.00 N ATOM 0 H GLN A 42 -7.354 -5.087 10.118 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.171 -6.748 9.058 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.051 -3.904 9.676 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.131 -4.211 8.330 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -10.312 -6.044 10.718 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -10.953 -4.421 10.887 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.018 -5.342 11.145 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -13.970 -5.878 9.757 1.00 0.00 H new ATOM 647 N GLY A 43 -7.622 -5.190 6.669 1.00 0.00 N ATOM 648 CA GLY A 43 -7.416 -5.139 5.232 1.00 0.00 C ATOM 649 C GLY A 43 -6.214 -5.992 4.820 1.00 0.00 C ATOM 650 O GLY A 43 -6.288 -6.747 3.852 1.00 0.00 O ATOM 0 H GLY A 43 -6.922 -4.691 7.218 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.311 -5.493 4.720 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.258 -4.107 4.920 1.00 0.00 H new ATOM 654 N MET A 44 -5.136 -5.842 5.575 1.00 0.00 N ATOM 655 CA MET A 44 -3.920 -6.589 5.300 1.00 0.00 C ATOM 656 C MET A 44 -4.196 -8.093 5.268 1.00 0.00 C ATOM 657 O MET A 44 -3.815 -8.778 4.320 1.00 0.00 O ATOM 658 CB MET A 44 -2.879 -6.283 6.378 1.00 0.00 C ATOM 659 CG MET A 44 -2.061 -7.531 6.719 1.00 0.00 C ATOM 660 SD MET A 44 -1.237 -8.139 5.258 1.00 0.00 S ATOM 661 CE MET A 44 0.282 -7.205 5.346 1.00 0.00 C ATOM 0 H MET A 44 -5.079 -5.214 6.377 1.00 0.00 H new ATOM 0 HA MET A 44 -3.543 -6.288 4.323 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.214 -5.491 6.033 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.376 -5.913 7.275 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.327 -7.295 7.489 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.713 -8.303 7.126 1.00 0.00 H new ATOM 0 HE1 MET A 44 0.374 -6.576 4.460 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.272 -6.577 6.237 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.128 -7.890 5.395 1.00 0.00 H new ATOM 671 N LYS A 45 -4.857 -8.563 6.316 1.00 0.00 N ATOM 672 CA LYS A 45 -5.188 -9.975 6.420 1.00 0.00 C ATOM 673 C LYS A 45 -5.992 -10.397 5.188 1.00 0.00 C ATOM 674 O LYS A 45 -5.824 -11.506 4.684 1.00 0.00 O ATOM 675 CB LYS A 45 -5.897 -10.262 7.745 1.00 0.00 C ATOM 676 CG LYS A 45 -5.248 -9.487 8.893 1.00 0.00 C ATOM 677 CD LYS A 45 -5.050 -10.383 10.118 1.00 0.00 C ATOM 678 CE LYS A 45 -6.385 -10.665 10.812 1.00 0.00 C ATOM 679 NZ LYS A 45 -6.169 -11.440 12.055 1.00 0.00 N ATOM 0 H LYS A 45 -5.172 -7.992 7.100 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.281 -10.580 6.432 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.949 -9.988 7.665 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.861 -11.331 7.957 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.286 -9.089 8.570 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.872 -8.634 9.159 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.588 -11.323 9.815 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.366 -9.903 10.818 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.886 -9.726 11.045 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.041 -11.219 10.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.084 -11.623 12.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.710 -12.345 11.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.560 -10.898 12.701 1.00 0.00 H new ATOM 693 N ILE A 46 -6.848 -9.491 4.741 1.00 0.00 N ATOM 694 CA ILE A 46 -7.679 -9.755 3.579 1.00 0.00 C ATOM 695 C ILE A 46 -6.783 -10.052 2.374 1.00 0.00 C ATOM 696 O ILE A 46 -7.039 -10.990 1.621 1.00 0.00 O ATOM 697 CB ILE A 46 -8.660 -8.605 3.346 1.00 0.00 C ATOM 698 CG1 ILE A 46 -9.998 -8.877 4.036 1.00 0.00 C ATOM 699 CG2 ILE A 46 -8.832 -8.322 1.853 1.00 0.00 C ATOM 700 CD1 ILE A 46 -9.787 -9.534 5.402 1.00 0.00 C ATOM 0 H ILE A 46 -6.984 -8.572 5.163 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.295 -10.638 3.746 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.242 -7.705 3.797 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.545 -7.942 4.159 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.610 -9.524 3.408 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.535 -7.500 1.717 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.869 -8.051 1.421 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.215 -9.213 1.356 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -10.754 -9.717 5.871 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -9.262 -10.480 5.273 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -9.195 -8.874 6.036 1.00 0.00 H new ATOM 712 N MET A 47 -5.751 -9.234 2.229 1.00 0.00 N ATOM 713 CA MET A 47 -4.815 -9.397 1.129 1.00 0.00 C ATOM 714 C MET A 47 -4.024 -10.698 1.270 1.00 0.00 C ATOM 715 O MET A 47 -3.659 -11.318 0.272 1.00 0.00 O ATOM 716 CB MET A 47 -3.847 -8.212 1.102 1.00 0.00 C ATOM 717 CG MET A 47 -4.529 -6.960 0.546 1.00 0.00 C ATOM 718 SD MET A 47 -4.737 -7.113 -1.220 1.00 0.00 S ATOM 719 CE MET A 47 -3.242 -6.313 -1.779 1.00 0.00 C ATOM 0 H MET A 47 -5.542 -8.456 2.855 1.00 0.00 H new ATOM 0 HA MET A 47 -5.381 -9.437 0.198 1.00 0.00 H new ATOM 0 HB2 MET A 47 -3.481 -8.014 2.109 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.980 -8.460 0.490 1.00 0.00 H new ATOM 0 HG2 MET A 47 -5.499 -6.821 1.024 1.00 0.00 H new ATOM 0 HG3 MET A 47 -3.931 -6.078 0.775 1.00 0.00 H new ATOM 0 HE1 MET A 47 -3.084 -6.534 -2.835 1.00 0.00 H new ATOM 0 HE2 MET A 47 -3.334 -5.235 -1.644 1.00 0.00 H new ATOM 0 HE3 MET A 47 -2.394 -6.681 -1.201 1.00 0.00 H new ATOM 729 N ALA A 48 -3.782 -11.075 2.518 1.00 0.00 N ATOM 730 CA ALA A 48 -3.041 -12.291 2.802 1.00 0.00 C ATOM 731 C ALA A 48 -3.821 -13.495 2.270 1.00 0.00 C ATOM 732 O ALA A 48 -3.258 -14.356 1.596 1.00 0.00 O ATOM 733 CB ALA A 48 -2.775 -12.388 4.306 1.00 0.00 C ATOM 0 H ALA A 48 -4.087 -10.559 3.343 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.074 -12.276 2.300 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.219 -13.301 4.519 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.193 -11.525 4.629 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.723 -12.408 4.843 1.00 0.00 H new ATOM 739 N GLN A 49 -5.107 -13.516 2.592 1.00 0.00 N ATOM 740 CA GLN A 49 -5.971 -14.599 2.155 1.00 0.00 C ATOM 741 C GLN A 49 -6.077 -14.610 0.628 1.00 0.00 C ATOM 742 O GLN A 49 -5.660 -15.569 -0.019 1.00 0.00 O ATOM 743 CB GLN A 49 -7.353 -14.493 2.800 1.00 0.00 C ATOM 744 CG GLN A 49 -7.239 -14.274 4.310 1.00 0.00 C ATOM 745 CD GLN A 49 -7.573 -15.554 5.077 1.00 0.00 C ATOM 746 OE1 GLN A 49 -6.746 -16.432 5.261 1.00 0.00 O ATOM 747 NE2 GLN A 49 -8.828 -15.613 5.512 1.00 0.00 N ATOM 0 H GLN A 49 -5.571 -12.800 3.151 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.529 -15.542 2.476 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.906 -13.668 2.350 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.921 -15.402 2.603 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.228 -13.950 4.559 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.914 -13.475 4.617 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.470 -14.843 5.324 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.149 -16.428 6.034 1.00 0.00 H new ATOM 756 N ASN A 50 -6.637 -13.534 0.098 1.00 0.00 N ATOM 757 CA ASN A 50 -6.804 -13.407 -1.340 1.00 0.00 C ATOM 758 C ASN A 50 -5.483 -12.951 -1.964 1.00 0.00 C ATOM 759 O ASN A 50 -4.478 -12.816 -1.268 1.00 0.00 O ATOM 760 CB ASN A 50 -7.872 -12.366 -1.681 1.00 0.00 C ATOM 761 CG ASN A 50 -8.768 -12.084 -0.473 1.00 0.00 C ATOM 762 OD1 ASN A 50 -9.017 -12.939 0.360 1.00 0.00 O ATOM 763 ND2 ASN A 50 -9.237 -10.840 -0.427 1.00 0.00 N ATOM 0 H ASN A 50 -6.982 -12.741 0.639 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.109 -14.378 -1.731 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.394 -11.442 -2.007 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.479 -12.722 -2.513 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.845 -10.552 0.340 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.988 -10.174 -1.158 1.00 0.00 H new ATOM 770 N PRO A 51 -5.529 -12.721 -3.303 1.00 0.00 N ATOM 771 CA PRO A 51 -4.348 -12.282 -4.028 1.00 0.00 C ATOM 772 C PRO A 51 -4.049 -10.809 -3.750 1.00 0.00 C ATOM 773 O PRO A 51 -4.967 -10.000 -3.614 1.00 0.00 O ATOM 774 CB PRO A 51 -4.660 -12.560 -5.490 1.00 0.00 C ATOM 775 CG PRO A 51 -6.171 -12.708 -5.574 1.00 0.00 C ATOM 776 CD PRO A 51 -6.703 -12.870 -4.159 1.00 0.00 C ATOM 0 HA PRO A 51 -3.445 -12.808 -3.719 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.312 -11.746 -6.125 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.159 -13.466 -5.831 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.614 -11.834 -6.051 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -6.437 -13.572 -6.183 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.458 -12.117 -3.931 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.173 -13.844 -4.021 1.00 0.00 H new ATOM 784 N HIS A 52 -2.763 -10.503 -3.674 1.00 0.00 N ATOM 785 CA HIS A 52 -2.331 -9.140 -3.414 1.00 0.00 C ATOM 786 C HIS A 52 -1.141 -8.798 -4.313 1.00 0.00 C ATOM 787 O HIS A 52 -0.348 -9.673 -4.659 1.00 0.00 O ATOM 788 CB HIS A 52 -2.027 -8.939 -1.928 1.00 0.00 C ATOM 789 CG HIS A 52 -1.157 -10.018 -1.328 1.00 0.00 C ATOM 790 ND1 HIS A 52 -1.037 -10.211 0.036 1.00 0.00 N ATOM 791 CD2 HIS A 52 -0.367 -10.958 -1.921 1.00 0.00 C ATOM 792 CE1 HIS A 52 -0.208 -11.224 0.244 1.00 0.00 C ATOM 793 NE2 HIS A 52 0.207 -11.685 -0.970 1.00 0.00 N ATOM 0 H HIS A 52 -2.005 -11.176 -3.788 1.00 0.00 H new ATOM 0 HA HIS A 52 -3.137 -8.448 -3.657 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.536 -7.975 -1.795 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.967 -8.897 -1.378 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -1.507 -9.666 0.759 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -0.231 -11.089 -2.984 1.00 0.00 H new ATOM 0 HE1 HIS A 52 0.087 -11.616 1.206 1.00 0.00 H new ATOM 802 N HIS A 53 -1.054 -7.524 -4.666 1.00 0.00 N ATOM 803 CA HIS A 53 0.026 -7.056 -5.518 1.00 0.00 C ATOM 804 C HIS A 53 0.497 -5.680 -5.041 1.00 0.00 C ATOM 805 O HIS A 53 1.691 -5.460 -4.853 1.00 0.00 O ATOM 806 CB HIS A 53 -0.401 -7.060 -6.988 1.00 0.00 C ATOM 807 CG HIS A 53 0.751 -6.999 -7.962 1.00 0.00 C ATOM 808 ND1 HIS A 53 0.577 -7.071 -9.333 1.00 0.00 N ATOM 809 CD2 HIS A 53 2.092 -6.872 -7.749 1.00 0.00 C ATOM 810 CE1 HIS A 53 1.768 -6.990 -9.910 1.00 0.00 C ATOM 811 NE2 HIS A 53 2.705 -6.868 -8.927 1.00 0.00 N ATOM 0 H HIS A 53 -1.714 -6.801 -4.378 1.00 0.00 H new ATOM 0 HA HIS A 53 0.874 -7.737 -5.444 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.982 -7.961 -7.184 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -1.060 -6.210 -7.167 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.574 -6.789 -6.786 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.962 -7.016 -10.972 1.00 0.00 H new ATOM 0 HE2 HIS A 53 3.711 -6.787 -9.073 1.00 0.00 H new ATOM 820 N LEU A 54 -0.468 -4.790 -4.860 1.00 0.00 N ATOM 821 CA LEU A 54 -0.168 -3.443 -4.409 1.00 0.00 C ATOM 822 C LEU A 54 -1.071 -3.092 -3.224 1.00 0.00 C ATOM 823 O LEU A 54 -2.278 -2.927 -3.388 1.00 0.00 O ATOM 824 CB LEU A 54 -0.267 -2.453 -5.572 1.00 0.00 C ATOM 825 CG LEU A 54 0.174 -2.979 -6.939 1.00 0.00 C ATOM 826 CD1 LEU A 54 1.488 -3.755 -6.829 1.00 0.00 C ATOM 827 CD2 LEU A 54 -0.931 -3.811 -7.590 1.00 0.00 C ATOM 0 H LEU A 54 -1.458 -4.976 -5.018 1.00 0.00 H new ATOM 0 HA LEU A 54 0.861 -3.381 -4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.301 -2.117 -5.650 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.335 -1.577 -5.330 1.00 0.00 H new ATOM 0 HG LEU A 54 0.358 -2.125 -7.591 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.780 -4.118 -7.814 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.266 -3.099 -6.439 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.355 -4.601 -6.155 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.591 -4.172 -8.560 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.172 -4.660 -6.951 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.820 -3.194 -7.724 1.00 0.00 H new ATOM 839 N VAL A 55 -0.450 -2.989 -2.058 1.00 0.00 N ATOM 840 CA VAL A 55 -1.183 -2.662 -0.846 1.00 0.00 C ATOM 841 C VAL A 55 -1.122 -1.151 -0.612 1.00 0.00 C ATOM 842 O VAL A 55 -0.061 -0.543 -0.735 1.00 0.00 O ATOM 843 CB VAL A 55 -0.637 -3.473 0.330 1.00 0.00 C ATOM 844 CG1 VAL A 55 -0.946 -2.784 1.661 1.00 0.00 C ATOM 845 CG2 VAL A 55 -1.183 -4.901 0.312 1.00 0.00 C ATOM 0 H VAL A 55 0.552 -3.126 -1.927 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.234 -2.933 -0.949 1.00 0.00 H new ATOM 0 HB VAL A 55 0.447 -3.528 0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.547 -3.381 2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.486 -1.796 1.675 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.025 -2.684 1.777 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.779 -5.456 1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.271 -4.876 0.381 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.889 -5.391 -0.616 1.00 0.00 H new ATOM 855 N ILE A 56 -2.275 -0.590 -0.277 1.00 0.00 N ATOM 856 CA ILE A 56 -2.366 0.838 -0.024 1.00 0.00 C ATOM 857 C ILE A 56 -3.231 1.078 1.215 1.00 0.00 C ATOM 858 O ILE A 56 -4.402 0.699 1.240 1.00 0.00 O ATOM 859 CB ILE A 56 -2.861 1.573 -1.271 1.00 0.00 C ATOM 860 CG1 ILE A 56 -3.939 0.763 -1.993 1.00 0.00 C ATOM 861 CG2 ILE A 56 -1.695 1.928 -2.197 1.00 0.00 C ATOM 862 CD1 ILE A 56 -3.337 -0.467 -2.676 1.00 0.00 C ATOM 0 H ILE A 56 -3.153 -1.098 -0.175 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.380 1.250 0.190 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.319 2.510 -0.956 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.702 0.450 -1.280 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.434 1.390 -2.735 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.074 2.450 -3.076 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.993 2.572 -1.667 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.187 1.015 -2.508 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.125 -1.025 -3.182 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.592 -0.150 -3.405 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.865 -1.104 -1.928 1.00 0.00 H new ATOM 874 N SER A 57 -2.623 1.704 2.211 1.00 0.00 N ATOM 875 CA SER A 57 -3.324 1.998 3.449 1.00 0.00 C ATOM 876 C SER A 57 -2.908 3.375 3.971 1.00 0.00 C ATOM 877 O SER A 57 -2.156 4.092 3.312 1.00 0.00 O ATOM 878 CB SER A 57 -3.050 0.926 4.506 1.00 0.00 C ATOM 879 OG SER A 57 -3.239 1.418 5.829 1.00 0.00 O ATOM 0 H SER A 57 -1.652 2.016 2.186 1.00 0.00 H new ATOM 0 HA SER A 57 -4.394 2.002 3.243 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.710 0.075 4.338 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.028 0.563 4.397 1.00 0.00 H new ATOM 0 HG SER A 57 -3.056 0.703 6.473 1.00 0.00 H new ATOM 885 N ASP A 58 -3.415 3.703 5.150 1.00 0.00 N ATOM 886 CA ASP A 58 -3.106 4.982 5.768 1.00 0.00 C ATOM 887 C ASP A 58 -1.812 4.854 6.574 1.00 0.00 C ATOM 888 O ASP A 58 -1.370 3.746 6.874 1.00 0.00 O ATOM 889 CB ASP A 58 -4.219 5.414 6.725 1.00 0.00 C ATOM 890 CG ASP A 58 -4.646 4.354 7.742 1.00 0.00 C ATOM 891 OD1 ASP A 58 -4.233 3.189 7.555 1.00 0.00 O ATOM 892 OD2 ASP A 58 -5.375 4.733 8.683 1.00 0.00 O ATOM 0 H ASP A 58 -4.038 3.106 5.694 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.003 5.724 4.976 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.889 6.301 7.265 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.090 5.704 6.138 1.00 0.00 H new ATOM 897 N PHE A 59 -1.241 6.003 6.903 1.00 0.00 N ATOM 898 CA PHE A 59 -0.006 6.034 7.670 1.00 0.00 C ATOM 899 C PHE A 59 -0.281 5.820 9.160 1.00 0.00 C ATOM 900 O PHE A 59 0.638 5.552 9.932 1.00 0.00 O ATOM 901 CB PHE A 59 0.610 7.419 7.470 1.00 0.00 C ATOM 902 CG PHE A 59 1.943 7.404 6.720 1.00 0.00 C ATOM 903 CD1 PHE A 59 2.843 6.411 6.950 1.00 0.00 C ATOM 904 CD2 PHE A 59 2.229 8.386 5.823 1.00 0.00 C ATOM 905 CE1 PHE A 59 4.080 6.398 6.254 1.00 0.00 C ATOM 906 CE2 PHE A 59 3.467 8.373 5.126 1.00 0.00 C ATOM 907 CZ PHE A 59 4.366 7.378 5.357 1.00 0.00 C ATOM 0 H PHE A 59 -1.610 6.920 6.653 1.00 0.00 H new ATOM 0 HA PHE A 59 0.661 5.240 7.334 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.096 8.044 6.923 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.758 7.884 8.445 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.617 5.632 7.663 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.515 9.176 5.641 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.794 5.609 6.437 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.694 9.152 4.413 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.307 7.367 4.827 1.00 0.00 H new ATOM 917 N ASN A 60 -1.550 5.948 9.520 1.00 0.00 N ATOM 918 CA ASN A 60 -1.957 5.772 10.903 1.00 0.00 C ATOM 919 C ASN A 60 -1.291 4.517 11.471 1.00 0.00 C ATOM 920 O ASN A 60 -0.600 3.798 10.752 1.00 0.00 O ATOM 921 CB ASN A 60 -3.472 5.595 11.014 1.00 0.00 C ATOM 922 CG ASN A 60 -4.191 6.940 10.899 1.00 0.00 C ATOM 923 OD1 ASN A 60 -3.986 7.852 11.683 1.00 0.00 O ATOM 924 ND2 ASN A 60 -5.045 7.013 9.881 1.00 0.00 N ATOM 0 H ASN A 60 -2.310 6.172 8.877 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.657 6.661 11.458 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.822 4.924 10.230 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.718 5.127 11.967 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.575 7.870 9.720 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.170 6.212 9.261 1.00 0.00 H new ATOM 931 N MET A 61 -1.523 4.293 12.756 1.00 0.00 N ATOM 932 CA MET A 61 -0.954 3.137 13.429 1.00 0.00 C ATOM 933 C MET A 61 -2.034 2.099 13.743 1.00 0.00 C ATOM 934 O MET A 61 -2.365 1.876 14.906 1.00 0.00 O ATOM 935 CB MET A 61 -0.281 3.582 14.728 1.00 0.00 C ATOM 936 CG MET A 61 -1.320 4.006 15.768 1.00 0.00 C ATOM 937 SD MET A 61 -0.720 5.408 16.695 1.00 0.00 S ATOM 938 CE MET A 61 -2.184 6.430 16.694 1.00 0.00 C ATOM 0 H MET A 61 -2.097 4.892 13.349 1.00 0.00 H new ATOM 0 HA MET A 61 -0.219 2.680 12.767 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.325 2.767 15.125 1.00 0.00 H new ATOM 0 HB3 MET A 61 0.395 4.412 14.525 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.258 4.261 15.274 1.00 0.00 H new ATOM 0 HG3 MET A 61 -1.530 3.176 16.443 1.00 0.00 H new ATOM 0 HE1 MET A 61 -1.983 7.354 17.236 1.00 0.00 H new ATOM 0 HE2 MET A 61 -2.463 6.665 15.667 1.00 0.00 H new ATOM 0 HE3 MET A 61 -3.001 5.896 17.179 1.00 0.00 H new ATOM 948 N PRO A 62 -2.566 1.477 12.657 1.00 0.00 N ATOM 949 CA PRO A 62 -3.603 0.469 12.805 1.00 0.00 C ATOM 950 C PRO A 62 -3.016 -0.848 13.316 1.00 0.00 C ATOM 951 O PRO A 62 -1.920 -0.869 13.875 1.00 0.00 O ATOM 952 CB PRO A 62 -4.231 0.345 11.427 1.00 0.00 C ATOM 953 CG PRO A 62 -3.226 0.942 10.455 1.00 0.00 C ATOM 954 CD PRO A 62 -2.199 1.717 11.265 1.00 0.00 C ATOM 0 HA PRO A 62 -4.354 0.743 13.546 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.437 -0.697 11.184 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.181 0.877 11.382 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.741 0.156 9.876 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -3.726 1.599 9.744 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -1.187 1.370 11.057 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.227 2.780 11.026 1.00 0.00 H new ATOM 962 N LYS A 63 -3.771 -1.917 13.105 1.00 0.00 N ATOM 963 CA LYS A 63 -3.340 -3.235 13.537 1.00 0.00 C ATOM 964 C LYS A 63 -2.013 -3.581 12.857 1.00 0.00 C ATOM 965 O LYS A 63 -1.183 -4.285 13.430 1.00 0.00 O ATOM 966 CB LYS A 63 -4.443 -4.266 13.293 1.00 0.00 C ATOM 967 CG LYS A 63 -5.401 -4.336 14.484 1.00 0.00 C ATOM 968 CD LYS A 63 -5.102 -5.555 15.358 1.00 0.00 C ATOM 969 CE LYS A 63 -3.628 -5.954 15.257 1.00 0.00 C ATOM 970 NZ LYS A 63 -3.169 -6.567 16.524 1.00 0.00 N ATOM 0 H LYS A 63 -4.679 -1.896 12.640 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.160 -3.244 14.612 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.997 -4.005 12.391 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.998 -5.246 13.121 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.314 -3.427 15.079 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.429 -4.385 14.126 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.352 -5.333 16.395 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.731 -6.391 15.050 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.491 -6.657 14.435 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.022 -5.077 15.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.167 -6.832 16.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.282 -5.885 17.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.736 -7.416 16.724 1.00 0.00 H new ATOM 984 N MET A 64 -1.855 -3.071 11.645 1.00 0.00 N ATOM 985 CA MET A 64 -0.644 -3.316 10.881 1.00 0.00 C ATOM 986 C MET A 64 -0.319 -2.131 9.971 1.00 0.00 C ATOM 987 O MET A 64 -1.094 -1.801 9.073 1.00 0.00 O ATOM 988 CB MET A 64 -0.823 -4.578 10.033 1.00 0.00 C ATOM 989 CG MET A 64 -1.518 -5.682 10.832 1.00 0.00 C ATOM 990 SD MET A 64 -1.270 -7.260 10.036 1.00 0.00 S ATOM 991 CE MET A 64 -1.828 -8.352 11.333 1.00 0.00 C ATOM 0 H MET A 64 -2.546 -2.488 11.173 1.00 0.00 H new ATOM 0 HA MET A 64 0.183 -3.450 11.579 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.409 -4.343 9.145 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.150 -4.930 9.689 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.123 -5.711 11.847 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.584 -5.469 10.911 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.196 -9.280 10.894 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.999 -8.572 12.005 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.631 -7.872 11.892 1.00 0.00 H new ATOM 1001 N ASP A 65 0.827 -1.520 10.233 1.00 0.00 N ATOM 1002 CA ASP A 65 1.263 -0.378 9.448 1.00 0.00 C ATOM 1003 C ASP A 65 2.568 -0.727 8.729 1.00 0.00 C ATOM 1004 O ASP A 65 3.151 -1.783 8.971 1.00 0.00 O ATOM 1005 CB ASP A 65 1.526 0.836 10.342 1.00 0.00 C ATOM 1006 CG ASP A 65 1.595 2.176 9.608 1.00 0.00 C ATOM 1007 OD1 ASP A 65 0.868 2.308 8.599 1.00 0.00 O ATOM 1008 OD2 ASP A 65 2.371 3.038 10.072 1.00 0.00 O ATOM 0 H ASP A 65 1.467 -1.795 10.978 1.00 0.00 H new ATOM 0 HA ASP A 65 0.474 -0.137 8.735 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.740 0.891 11.095 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.465 0.681 10.873 1.00 0.00 H new ATOM 1013 N GLY A 66 2.989 0.180 7.860 1.00 0.00 N ATOM 1014 CA GLY A 66 4.214 -0.019 7.105 1.00 0.00 C ATOM 1015 C GLY A 66 5.182 -0.932 7.859 1.00 0.00 C ATOM 1016 O GLY A 66 5.857 -1.762 7.254 1.00 0.00 O ATOM 0 H GLY A 66 2.503 1.055 7.662 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.980 -0.455 6.134 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.689 0.944 6.916 1.00 0.00 H new ATOM 1020 N LEU A 67 5.217 -0.747 9.171 1.00 0.00 N ATOM 1021 CA LEU A 67 6.091 -1.545 10.015 1.00 0.00 C ATOM 1022 C LEU A 67 5.537 -2.967 10.116 1.00 0.00 C ATOM 1023 O LEU A 67 6.178 -3.920 9.676 1.00 0.00 O ATOM 1024 CB LEU A 67 6.292 -0.865 11.371 1.00 0.00 C ATOM 1025 CG LEU A 67 6.907 0.536 11.334 1.00 0.00 C ATOM 1026 CD1 LEU A 67 8.288 0.512 10.676 1.00 0.00 C ATOM 1027 CD2 LEU A 67 5.965 1.530 10.653 1.00 0.00 C ATOM 0 H LEU A 67 4.655 -0.057 9.670 1.00 0.00 H new ATOM 0 HA LEU A 67 7.084 -1.621 9.572 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.325 -0.803 11.871 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.928 -1.503 11.985 1.00 0.00 H new ATOM 0 HG LEU A 67 7.046 0.875 12.361 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.702 1.520 10.663 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.949 -0.145 11.242 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.198 0.143 9.654 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.426 2.518 10.640 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.772 1.206 9.630 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.025 1.576 11.203 1.00 0.00 H new ATOM 1039 N GLY A 68 4.351 -3.065 10.700 1.00 0.00 N ATOM 1040 CA GLY A 68 3.703 -4.355 10.865 1.00 0.00 C ATOM 1041 C GLY A 68 3.448 -5.018 9.510 1.00 0.00 C ATOM 1042 O GLY A 68 3.643 -6.223 9.357 1.00 0.00 O ATOM 0 H GLY A 68 3.823 -2.272 11.064 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.327 -5.004 11.479 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.759 -4.227 11.394 1.00 0.00 H new ATOM 1046 N LEU A 69 3.013 -4.203 8.561 1.00 0.00 N ATOM 1047 CA LEU A 69 2.729 -4.694 7.224 1.00 0.00 C ATOM 1048 C LEU A 69 3.973 -5.388 6.664 1.00 0.00 C ATOM 1049 O LEU A 69 3.887 -6.499 6.144 1.00 0.00 O ATOM 1050 CB LEU A 69 2.204 -3.563 6.337 1.00 0.00 C ATOM 1051 CG LEU A 69 0.766 -3.714 5.838 1.00 0.00 C ATOM 1052 CD1 LEU A 69 -0.219 -3.760 7.007 1.00 0.00 C ATOM 1053 CD2 LEU A 69 0.414 -2.613 4.836 1.00 0.00 C ATOM 0 H LEU A 69 2.850 -3.205 8.692 1.00 0.00 H new ATOM 0 HA LEU A 69 1.934 -5.439 7.254 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.278 -2.628 6.892 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.860 -3.473 5.471 1.00 0.00 H new ATOM 0 HG LEU A 69 0.686 -4.666 5.312 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.234 -3.868 6.624 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.018 -4.608 7.649 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.144 -2.837 7.582 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.614 -2.744 4.497 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.517 -1.639 5.315 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.088 -2.670 3.981 1.00 0.00 H new ATOM 1065 N LEU A 70 5.099 -4.702 6.791 1.00 0.00 N ATOM 1066 CA LEU A 70 6.359 -5.238 6.304 1.00 0.00 C ATOM 1067 C LEU A 70 6.623 -6.591 6.969 1.00 0.00 C ATOM 1068 O LEU A 70 6.577 -7.629 6.312 1.00 0.00 O ATOM 1069 CB LEU A 70 7.487 -4.223 6.505 1.00 0.00 C ATOM 1070 CG LEU A 70 8.849 -4.611 5.928 1.00 0.00 C ATOM 1071 CD1 LEU A 70 9.924 -3.601 6.333 1.00 0.00 C ATOM 1072 CD2 LEU A 70 9.227 -6.040 6.326 1.00 0.00 C ATOM 0 H LEU A 70 5.165 -3.781 7.224 1.00 0.00 H new ATOM 0 HA LEU A 70 6.308 -5.414 5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.181 -3.277 6.058 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.604 -4.047 7.574 1.00 0.00 H new ATOM 0 HG LEU A 70 8.778 -4.588 4.841 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.883 -3.901 5.910 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.655 -2.613 5.959 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.002 -3.568 7.420 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.200 -6.290 5.903 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.274 -6.115 7.412 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.477 -6.734 5.947 1.00 0.00 H new ATOM 1084 N GLN A 71 6.896 -6.534 8.265 1.00 0.00 N ATOM 1085 CA GLN A 71 7.168 -7.741 9.026 1.00 0.00 C ATOM 1086 C GLN A 71 6.185 -8.847 8.637 1.00 0.00 C ATOM 1087 O GLN A 71 6.532 -10.027 8.656 1.00 0.00 O ATOM 1088 CB GLN A 71 7.115 -7.465 10.530 1.00 0.00 C ATOM 1089 CG GLN A 71 8.026 -6.294 10.904 1.00 0.00 C ATOM 1090 CD GLN A 71 8.605 -6.477 12.308 1.00 0.00 C ATOM 1091 OE1 GLN A 71 9.150 -7.512 12.653 1.00 0.00 O ATOM 1092 NE2 GLN A 71 8.457 -5.416 13.096 1.00 0.00 N ATOM 0 H GLN A 71 6.934 -5.671 8.807 1.00 0.00 H new ATOM 0 HA GLN A 71 8.177 -8.078 8.787 1.00 0.00 H new ATOM 0 HB2 GLN A 71 6.090 -7.242 10.827 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.419 -8.357 11.078 1.00 0.00 H new ATOM 0 HG2 GLN A 71 8.837 -6.214 10.180 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.463 -5.362 10.857 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.990 -4.580 12.744 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.810 -5.438 14.053 1.00 0.00 H new ATOM 1101 N ALA A 72 4.976 -8.426 8.292 1.00 0.00 N ATOM 1102 CA ALA A 72 3.941 -9.366 7.899 1.00 0.00 C ATOM 1103 C ALA A 72 4.366 -10.080 6.614 1.00 0.00 C ATOM 1104 O ALA A 72 4.323 -11.307 6.539 1.00 0.00 O ATOM 1105 CB ALA A 72 2.612 -8.623 7.740 1.00 0.00 C ATOM 0 H ALA A 72 4.691 -7.447 8.277 1.00 0.00 H new ATOM 0 HA ALA A 72 3.801 -10.126 8.667 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.834 -9.327 7.445 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.340 -8.158 8.687 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.714 -7.854 6.974 1.00 0.00 H new ATOM 1111 N VAL A 73 4.768 -9.281 5.637 1.00 0.00 N ATOM 1112 CA VAL A 73 5.201 -9.822 4.360 1.00 0.00 C ATOM 1113 C VAL A 73 6.371 -10.782 4.588 1.00 0.00 C ATOM 1114 O VAL A 73 6.348 -11.919 4.116 1.00 0.00 O ATOM 1115 CB VAL A 73 5.543 -8.682 3.398 1.00 0.00 C ATOM 1116 CG1 VAL A 73 4.701 -7.441 3.698 1.00 0.00 C ATOM 1117 CG2 VAL A 73 7.037 -8.355 3.443 1.00 0.00 C ATOM 0 H VAL A 73 4.803 -8.264 5.704 1.00 0.00 H new ATOM 0 HA VAL A 73 4.397 -10.393 3.895 1.00 0.00 H new ATOM 0 HB VAL A 73 5.304 -9.013 2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.964 -6.646 3.000 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.644 -7.684 3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.895 -7.108 4.718 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.252 -7.542 2.750 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.313 -8.054 4.453 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.611 -9.236 3.158 1.00 0.00 H new ATOM 1127 N ARG A 74 7.366 -10.290 5.311 1.00 0.00 N ATOM 1128 CA ARG A 74 8.543 -11.091 5.608 1.00 0.00 C ATOM 1129 C ARG A 74 8.142 -12.543 5.878 1.00 0.00 C ATOM 1130 O ARG A 74 8.916 -13.463 5.617 1.00 0.00 O ATOM 1131 CB ARG A 74 9.291 -10.541 6.823 1.00 0.00 C ATOM 1132 CG ARG A 74 9.664 -9.072 6.619 1.00 0.00 C ATOM 1133 CD ARG A 74 10.015 -8.793 5.156 1.00 0.00 C ATOM 1134 NE ARG A 74 11.139 -9.659 4.732 1.00 0.00 N ATOM 1135 CZ ARG A 74 11.824 -9.496 3.592 1.00 0.00 C ATOM 1136 NH1 ARG A 74 11.504 -8.500 2.755 1.00 0.00 N ATOM 1137 NH2 ARG A 74 12.828 -10.330 3.289 1.00 0.00 N ATOM 0 H ARG A 74 7.382 -9.347 5.700 1.00 0.00 H new ATOM 0 HA ARG A 74 9.202 -11.048 4.741 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.670 -10.642 7.713 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.193 -11.128 6.996 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.833 -8.436 6.925 1.00 0.00 H new ATOM 0 HG3 ARG A 74 10.512 -8.817 7.255 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.146 -8.975 4.524 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.286 -7.744 5.032 1.00 0.00 H new ATOM 0 HE ARG A 74 11.409 -10.428 5.346 1.00 0.00 H new ATOM 0 HH11 ARG A 74 10.739 -7.866 2.986 1.00 0.00 H new ATOM 0 HH12 ARG A 74 12.025 -8.376 1.887 1.00 0.00 H new ATOM 0 HH21 ARG A 74 13.071 -11.089 3.926 1.00 0.00 H new ATOM 0 HH22 ARG A 74 13.350 -10.206 2.421 1.00 0.00 H new ATOM 1151 N ALA A 75 6.934 -12.704 6.397 1.00 0.00 N ATOM 1152 CA ALA A 75 6.422 -14.028 6.705 1.00 0.00 C ATOM 1153 C ALA A 75 5.812 -14.641 5.443 1.00 0.00 C ATOM 1154 O ALA A 75 6.174 -15.749 5.051 1.00 0.00 O ATOM 1155 CB ALA A 75 5.414 -13.931 7.852 1.00 0.00 C ATOM 0 H ALA A 75 6.295 -11.939 6.612 1.00 0.00 H new ATOM 0 HA ALA A 75 7.228 -14.684 7.033 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.029 -14.924 8.083 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.904 -13.517 8.733 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.589 -13.282 7.558 1.00 0.00 H new ATOM 1161 N ASN A 76 4.898 -13.893 4.842 1.00 0.00 N ATOM 1162 CA ASN A 76 4.235 -14.349 3.633 1.00 0.00 C ATOM 1163 C ASN A 76 4.974 -13.795 2.412 1.00 0.00 C ATOM 1164 O ASN A 76 5.144 -12.585 2.282 1.00 0.00 O ATOM 1165 CB ASN A 76 2.790 -13.852 3.576 1.00 0.00 C ATOM 1166 CG ASN A 76 1.804 -15.014 3.713 1.00 0.00 C ATOM 1167 OD1 ASN A 76 1.870 -15.814 4.632 1.00 0.00 O ATOM 1168 ND2 ASN A 76 0.889 -15.063 2.748 1.00 0.00 N ATOM 0 H ASN A 76 4.601 -12.974 5.170 1.00 0.00 H new ATOM 0 HA ASN A 76 4.241 -15.439 3.636 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.619 -13.129 4.374 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.617 -13.333 2.633 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.186 -15.802 2.749 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.890 -14.361 2.008 1.00 0.00 H new ATOM 1175 N PRO A 77 5.403 -14.734 1.527 1.00 0.00 N ATOM 1176 CA PRO A 77 6.118 -14.353 0.321 1.00 0.00 C ATOM 1177 C PRO A 77 5.166 -13.757 -0.718 1.00 0.00 C ATOM 1178 O PRO A 77 5.605 -13.135 -1.684 1.00 0.00 O ATOM 1179 CB PRO A 77 6.794 -15.628 -0.156 1.00 0.00 C ATOM 1180 CG PRO A 77 6.060 -16.769 0.530 1.00 0.00 C ATOM 1181 CD PRO A 77 5.218 -16.177 1.647 1.00 0.00 C ATOM 0 HA PRO A 77 6.855 -13.570 0.500 1.00 0.00 H new ATOM 0 HB2 PRO A 77 6.733 -15.720 -1.240 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.852 -15.631 0.106 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.429 -17.300 -0.183 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.769 -17.494 0.930 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.169 -16.452 1.540 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.544 -16.538 2.622 1.00 0.00 H new ATOM 1189 N ALA A 78 3.878 -13.968 -0.483 1.00 0.00 N ATOM 1190 CA ALA A 78 2.861 -13.460 -1.386 1.00 0.00 C ATOM 1191 C ALA A 78 2.869 -11.930 -1.349 1.00 0.00 C ATOM 1192 O ALA A 78 2.821 -11.280 -2.393 1.00 0.00 O ATOM 1193 CB ALA A 78 1.499 -14.045 -1.003 1.00 0.00 C ATOM 0 H ALA A 78 3.517 -14.484 0.320 1.00 0.00 H new ATOM 0 HA ALA A 78 3.071 -13.766 -2.411 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.736 -13.664 -1.681 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.537 -15.132 -1.074 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.253 -13.756 0.019 1.00 0.00 H new ATOM 1199 N THR A 79 2.931 -11.399 -0.137 1.00 0.00 N ATOM 1200 CA THR A 79 2.948 -9.959 0.050 1.00 0.00 C ATOM 1201 C THR A 79 4.386 -9.436 0.046 1.00 0.00 C ATOM 1202 O THR A 79 4.622 -8.260 -0.226 1.00 0.00 O ATOM 1203 CB THR A 79 2.189 -9.641 1.340 1.00 0.00 C ATOM 1204 OG1 THR A 79 2.786 -8.434 1.805 1.00 0.00 O ATOM 1205 CG2 THR A 79 2.475 -10.651 2.452 1.00 0.00 C ATOM 0 H THR A 79 2.970 -11.941 0.726 1.00 0.00 H new ATOM 0 HA THR A 79 2.448 -9.448 -0.773 1.00 0.00 H new ATOM 0 HB THR A 79 1.119 -9.621 1.136 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.100 -7.867 2.215 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.912 -10.379 3.345 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.177 -11.647 2.124 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.541 -10.648 2.681 1.00 0.00 H new ATOM 1213 N LYS A 80 5.308 -10.336 0.351 1.00 0.00 N ATOM 1214 CA LYS A 80 6.718 -9.981 0.386 1.00 0.00 C ATOM 1215 C LYS A 80 7.144 -9.467 -0.991 1.00 0.00 C ATOM 1216 O LYS A 80 8.104 -8.708 -1.104 1.00 0.00 O ATOM 1217 CB LYS A 80 7.555 -11.159 0.891 1.00 0.00 C ATOM 1218 CG LYS A 80 8.285 -11.845 -0.265 1.00 0.00 C ATOM 1219 CD LYS A 80 9.564 -11.090 -0.633 1.00 0.00 C ATOM 1220 CE LYS A 80 9.718 -10.983 -2.151 1.00 0.00 C ATOM 1221 NZ LYS A 80 11.109 -11.294 -2.553 1.00 0.00 N ATOM 0 H LYS A 80 5.108 -11.310 0.576 1.00 0.00 H new ATOM 0 HA LYS A 80 6.890 -9.172 1.095 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.279 -10.807 1.626 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.911 -11.878 1.397 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.531 -12.870 0.013 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.628 -11.899 -1.133 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.541 -10.092 -0.195 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.428 -11.603 -0.211 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.029 -11.670 -2.642 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.454 -9.978 -2.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.197 -11.217 -3.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.760 -10.622 -2.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.348 -12.262 -2.256 1.00 0.00 H new ATOM 1235 N LYS A 81 6.409 -9.905 -2.003 1.00 0.00 N ATOM 1236 CA LYS A 81 6.699 -9.499 -3.368 1.00 0.00 C ATOM 1237 C LYS A 81 5.759 -8.360 -3.769 1.00 0.00 C ATOM 1238 O LYS A 81 5.859 -7.828 -4.872 1.00 0.00 O ATOM 1239 CB LYS A 81 6.641 -10.705 -4.309 1.00 0.00 C ATOM 1240 CG LYS A 81 5.298 -11.427 -4.191 1.00 0.00 C ATOM 1241 CD LYS A 81 4.653 -11.613 -5.566 1.00 0.00 C ATOM 1242 CE LYS A 81 3.310 -12.336 -5.448 1.00 0.00 C ATOM 1243 NZ LYS A 81 2.592 -12.311 -6.743 1.00 0.00 N ATOM 0 H LYS A 81 5.614 -10.536 -1.905 1.00 0.00 H new ATOM 0 HA LYS A 81 7.716 -9.114 -3.443 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.792 -10.376 -5.337 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.451 -11.395 -4.072 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.444 -12.399 -3.719 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.630 -10.856 -3.546 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.507 -10.641 -6.038 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.322 -12.183 -6.211 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.472 -13.367 -5.135 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.701 -11.861 -4.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.683 -12.806 -6.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.421 -11.325 -7.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.168 -12.784 -7.468 1.00 0.00 H new ATOM 1257 N ALA A 82 4.868 -8.021 -2.849 1.00 0.00 N ATOM 1258 CA ALA A 82 3.910 -6.956 -3.092 1.00 0.00 C ATOM 1259 C ALA A 82 4.390 -5.677 -2.401 1.00 0.00 C ATOM 1260 O ALA A 82 5.120 -5.739 -1.413 1.00 0.00 O ATOM 1261 CB ALA A 82 2.526 -7.394 -2.611 1.00 0.00 C ATOM 0 H ALA A 82 4.789 -8.465 -1.934 1.00 0.00 H new ATOM 0 HA ALA A 82 3.832 -6.746 -4.159 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.808 -6.595 -2.793 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.219 -8.289 -3.153 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.564 -7.611 -1.544 1.00 0.00 H new ATOM 1267 N ALA A 83 3.959 -4.550 -2.947 1.00 0.00 N ATOM 1268 CA ALA A 83 4.336 -3.260 -2.396 1.00 0.00 C ATOM 1269 C ALA A 83 3.247 -2.786 -1.432 1.00 0.00 C ATOM 1270 O ALA A 83 2.187 -3.400 -1.335 1.00 0.00 O ATOM 1271 CB ALA A 83 4.576 -2.269 -3.536 1.00 0.00 C ATOM 0 H ALA A 83 3.352 -4.503 -3.765 1.00 0.00 H new ATOM 0 HA ALA A 83 5.265 -3.340 -1.832 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.859 -1.301 -3.123 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.377 -2.638 -4.177 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.663 -2.161 -4.122 1.00 0.00 H new ATOM 1277 N PHE A 84 3.549 -1.697 -0.739 1.00 0.00 N ATOM 1278 CA PHE A 84 2.610 -1.133 0.216 1.00 0.00 C ATOM 1279 C PHE A 84 2.771 0.386 0.312 1.00 0.00 C ATOM 1280 O PHE A 84 3.889 0.890 0.410 1.00 0.00 O ATOM 1281 CB PHE A 84 2.928 -1.755 1.577 1.00 0.00 C ATOM 1282 CG PHE A 84 3.831 -2.989 1.502 1.00 0.00 C ATOM 1283 CD1 PHE A 84 3.310 -4.191 1.139 1.00 0.00 C ATOM 1284 CD2 PHE A 84 5.154 -2.882 1.798 1.00 0.00 C ATOM 1285 CE1 PHE A 84 4.147 -5.335 1.069 1.00 0.00 C ATOM 1286 CE2 PHE A 84 5.991 -4.026 1.728 1.00 0.00 C ATOM 1287 CZ PHE A 84 5.470 -5.229 1.365 1.00 0.00 C ATOM 0 H PHE A 84 4.431 -1.191 -0.820 1.00 0.00 H new ATOM 0 HA PHE A 84 1.588 -1.344 -0.099 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.408 -1.004 2.205 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.994 -2.030 2.066 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.259 -4.275 0.904 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.568 -1.927 2.086 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.733 -6.290 0.781 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.042 -3.941 1.963 1.00 0.00 H new ATOM 0 HZ PHE A 84 6.107 -6.100 1.312 1.00 0.00 H new ATOM 1297 N ILE A 85 1.638 1.071 0.280 1.00 0.00 N ATOM 1298 CA ILE A 85 1.639 2.523 0.362 1.00 0.00 C ATOM 1299 C ILE A 85 1.078 2.953 1.719 1.00 0.00 C ATOM 1300 O ILE A 85 0.015 2.489 2.130 1.00 0.00 O ATOM 1301 CB ILE A 85 0.896 3.128 -0.830 1.00 0.00 C ATOM 1302 CG1 ILE A 85 1.360 2.495 -2.144 1.00 0.00 C ATOM 1303 CG2 ILE A 85 1.035 4.651 -0.848 1.00 0.00 C ATOM 1304 CD1 ILE A 85 0.668 3.148 -3.342 1.00 0.00 C ATOM 0 H ILE A 85 0.713 0.649 0.198 1.00 0.00 H new ATOM 0 HA ILE A 85 2.657 2.907 0.301 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.165 2.903 -0.720 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.440 2.601 -2.241 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.145 1.427 -2.133 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.497 5.055 -1.706 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.618 5.065 0.070 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.089 4.919 -0.921 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.016 2.680 -4.263 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.411 3.019 -3.254 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.905 4.212 -3.364 1.00 0.00 H new ATOM 1316 N ILE A 86 1.817 3.834 2.377 1.00 0.00 N ATOM 1317 CA ILE A 86 1.406 4.332 3.678 1.00 0.00 C ATOM 1318 C ILE A 86 1.399 5.862 3.656 1.00 0.00 C ATOM 1319 O ILE A 86 2.455 6.491 3.658 1.00 0.00 O ATOM 1320 CB ILE A 86 2.285 3.738 4.781 1.00 0.00 C ATOM 1321 CG1 ILE A 86 2.996 2.474 4.294 1.00 0.00 C ATOM 1322 CG2 ILE A 86 1.473 3.483 6.052 1.00 0.00 C ATOM 1323 CD1 ILE A 86 1.999 1.337 4.061 1.00 0.00 C ATOM 0 H ILE A 86 2.698 4.216 2.033 1.00 0.00 H new ATOM 0 HA ILE A 86 0.389 4.011 3.904 1.00 0.00 H new ATOM 0 HB ILE A 86 3.056 4.466 5.032 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.532 2.688 3.369 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.740 2.165 5.029 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.122 3.061 6.820 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.052 4.423 6.409 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.666 2.783 5.834 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.532 0.451 3.715 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.483 1.109 4.993 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.271 1.640 3.308 1.00 0.00 H new ATOM 1335 N LEU A 87 0.195 6.415 3.633 1.00 0.00 N ATOM 1336 CA LEU A 87 0.036 7.859 3.610 1.00 0.00 C ATOM 1337 C LEU A 87 -0.956 8.277 4.698 1.00 0.00 C ATOM 1338 O LEU A 87 -1.725 7.453 5.191 1.00 0.00 O ATOM 1339 CB LEU A 87 -0.352 8.333 2.208 1.00 0.00 C ATOM 1340 CG LEU A 87 -1.851 8.492 1.945 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -2.593 7.177 2.189 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -2.434 9.641 2.772 1.00 0.00 C ATOM 0 H LEU A 87 -0.679 5.889 3.630 1.00 0.00 H new ATOM 0 HA LEU A 87 0.982 8.350 3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.133 9.291 2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.051 7.626 1.483 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.988 8.749 0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.656 7.318 1.995 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.201 6.409 1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.451 6.866 3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.501 9.733 2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.285 9.438 3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.932 10.571 2.507 1.00 0.00 H new ATOM 1354 N THR A 88 -0.908 9.556 5.038 1.00 0.00 N ATOM 1355 CA THR A 88 -1.793 10.093 6.059 1.00 0.00 C ATOM 1356 C THR A 88 -2.382 11.429 5.603 1.00 0.00 C ATOM 1357 O THR A 88 -2.012 11.950 4.552 1.00 0.00 O ATOM 1358 CB THR A 88 -1.004 10.190 7.366 1.00 0.00 C ATOM 1359 OG1 THR A 88 -1.731 11.141 8.139 1.00 0.00 O ATOM 1360 CG2 THR A 88 0.370 10.836 7.174 1.00 0.00 C ATOM 0 H THR A 88 -0.270 10.237 4.625 1.00 0.00 H new ATOM 0 HA THR A 88 -2.647 9.437 6.228 1.00 0.00 H new ATOM 0 HB THR A 88 -0.880 9.194 7.791 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.290 11.264 9.005 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.888 10.880 8.132 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.956 10.243 6.472 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.246 11.845 6.781 1.00 0.00 H new ATOM 1368 N ALA A 89 -3.291 11.947 6.417 1.00 0.00 N ATOM 1369 CA ALA A 89 -3.935 13.213 6.111 1.00 0.00 C ATOM 1370 C ALA A 89 -2.874 14.311 6.018 1.00 0.00 C ATOM 1371 O ALA A 89 -3.150 15.406 5.531 1.00 0.00 O ATOM 1372 CB ALA A 89 -4.996 13.516 7.171 1.00 0.00 C ATOM 0 H ALA A 89 -3.596 11.513 7.288 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.442 13.162 5.147 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.479 14.466 6.941 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.742 12.721 7.176 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.524 13.577 8.151 1.00 0.00 H new ATOM 1378 N GLN A 90 -1.682 13.979 6.493 1.00 0.00 N ATOM 1379 CA GLN A 90 -0.578 14.923 6.469 1.00 0.00 C ATOM 1380 C GLN A 90 0.541 14.410 5.561 1.00 0.00 C ATOM 1381 O GLN A 90 0.601 14.762 4.384 1.00 0.00 O ATOM 1382 CB GLN A 90 -0.057 15.193 7.883 1.00 0.00 C ATOM 1383 CG GLN A 90 -1.019 16.096 8.658 1.00 0.00 C ATOM 1384 CD GLN A 90 -0.296 17.331 9.198 1.00 0.00 C ATOM 1385 OE1 GLN A 90 0.666 17.244 9.943 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -0.813 18.484 8.783 1.00 0.00 N ATOM 0 H GLN A 90 -1.457 13.070 6.897 1.00 0.00 H new ATOM 0 HA GLN A 90 -0.942 15.867 6.064 1.00 0.00 H new ATOM 0 HB2 GLN A 90 0.070 14.250 8.414 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.925 15.663 7.829 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.837 16.405 8.008 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.461 15.539 9.484 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.620 18.486 8.159 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.403 19.366 9.089 1.00 0.00 H new ATOM 1395 N GLY A 91 1.400 13.585 6.143 1.00 0.00 N ATOM 1396 CA GLY A 91 2.514 13.019 5.401 1.00 0.00 C ATOM 1397 C GLY A 91 3.651 12.615 6.341 1.00 0.00 C ATOM 1398 O GLY A 91 4.025 13.379 7.231 1.00 0.00 O ATOM 0 H GLY A 91 1.347 13.295 7.120 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.176 12.149 4.839 1.00 0.00 H new ATOM 0 HA3 GLY A 91 2.879 13.746 4.675 1.00 0.00 H new ATOM 1402 N ASP A 92 4.168 11.418 6.113 1.00 0.00 N ATOM 1403 CA ASP A 92 5.255 10.904 6.929 1.00 0.00 C ATOM 1404 C ASP A 92 6.248 10.156 6.036 1.00 0.00 C ATOM 1405 O ASP A 92 6.252 8.927 6.001 1.00 0.00 O ATOM 1406 CB ASP A 92 4.736 9.924 7.983 1.00 0.00 C ATOM 1407 CG ASP A 92 3.805 10.535 9.032 1.00 0.00 C ATOM 1408 OD1 ASP A 92 3.884 11.770 9.210 1.00 0.00 O ATOM 1409 OD2 ASP A 92 3.036 9.754 9.632 1.00 0.00 O ATOM 0 H ASP A 92 3.855 10.788 5.374 1.00 0.00 H new ATOM 0 HA ASP A 92 5.733 11.749 7.426 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.208 9.116 7.477 1.00 0.00 H new ATOM 0 HB3 ASP A 92 5.589 9.477 8.493 1.00 0.00 H new ATOM 1414 N ARG A 93 7.065 10.930 5.338 1.00 0.00 N ATOM 1415 CA ARG A 93 8.061 10.357 4.447 1.00 0.00 C ATOM 1416 C ARG A 93 8.978 9.407 5.219 1.00 0.00 C ATOM 1417 O ARG A 93 9.420 8.392 4.682 1.00 0.00 O ATOM 1418 CB ARG A 93 8.907 11.450 3.790 1.00 0.00 C ATOM 1419 CG ARG A 93 8.320 11.857 2.437 1.00 0.00 C ATOM 1420 CD ARG A 93 7.790 13.292 2.479 1.00 0.00 C ATOM 1421 NE ARG A 93 8.906 14.237 2.704 1.00 0.00 N ATOM 1422 CZ ARG A 93 8.746 15.510 3.091 1.00 0.00 C ATOM 1423 NH1 ARG A 93 7.516 15.998 3.295 1.00 0.00 N ATOM 1424 NH2 ARG A 93 9.818 16.295 3.272 1.00 0.00 N ATOM 0 H ARG A 93 7.058 11.949 5.371 1.00 0.00 H new ATOM 0 HA ARG A 93 7.533 9.806 3.669 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.957 12.320 4.445 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.928 11.093 3.655 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.084 11.770 1.664 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.514 11.175 2.166 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.285 13.529 1.543 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.051 13.393 3.274 1.00 0.00 H new ATOM 0 HE ARG A 93 9.857 13.898 2.555 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.701 15.401 3.156 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.394 16.967 3.590 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.755 15.923 3.115 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.697 17.264 3.567 1.00 0.00 H new ATOM 1438 N ALA A 94 9.238 9.769 6.468 1.00 0.00 N ATOM 1439 CA ALA A 94 10.095 8.961 7.318 1.00 0.00 C ATOM 1440 C ALA A 94 9.405 7.628 7.612 1.00 0.00 C ATOM 1441 O ALA A 94 10.053 6.583 7.644 1.00 0.00 O ATOM 1442 CB ALA A 94 10.427 9.738 8.593 1.00 0.00 C ATOM 0 H ALA A 94 8.870 10.611 6.911 1.00 0.00 H new ATOM 0 HA ALA A 94 11.036 8.741 6.815 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.070 9.132 9.231 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.942 10.662 8.332 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.506 9.974 9.126 1.00 0.00 H new ATOM 1448 N LEU A 95 8.098 7.707 7.816 1.00 0.00 N ATOM 1449 CA LEU A 95 7.312 6.520 8.106 1.00 0.00 C ATOM 1450 C LEU A 95 7.443 5.531 6.946 1.00 0.00 C ATOM 1451 O LEU A 95 7.715 4.351 7.158 1.00 0.00 O ATOM 1452 CB LEU A 95 5.867 6.900 8.430 1.00 0.00 C ATOM 1453 CG LEU A 95 5.617 7.457 9.833 1.00 0.00 C ATOM 1454 CD1 LEU A 95 5.167 6.350 10.790 1.00 0.00 C ATOM 1455 CD2 LEU A 95 6.850 8.199 10.355 1.00 0.00 C ATOM 0 H LEU A 95 7.564 8.575 7.786 1.00 0.00 H new ATOM 0 HA LEU A 95 7.692 6.020 8.997 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.535 7.641 7.702 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.241 6.018 8.294 1.00 0.00 H new ATOM 0 HG LEU A 95 4.805 8.182 9.774 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.996 6.772 11.780 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.243 5.904 10.421 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.941 5.585 10.851 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.646 8.585 11.354 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.697 7.514 10.397 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.086 9.027 9.687 1.00 0.00 H new ATOM 1467 N VAL A 96 7.244 6.051 5.742 1.00 0.00 N ATOM 1468 CA VAL A 96 7.336 5.228 4.548 1.00 0.00 C ATOM 1469 C VAL A 96 8.784 4.769 4.361 1.00 0.00 C ATOM 1470 O VAL A 96 9.062 3.571 4.347 1.00 0.00 O ATOM 1471 CB VAL A 96 6.792 5.997 3.342 1.00 0.00 C ATOM 1472 CG1 VAL A 96 7.650 5.746 2.100 1.00 0.00 C ATOM 1473 CG2 VAL A 96 5.329 5.636 3.078 1.00 0.00 C ATOM 0 H VAL A 96 7.020 7.031 5.569 1.00 0.00 H new ATOM 0 HA VAL A 96 6.722 4.333 4.651 1.00 0.00 H new ATOM 0 HB VAL A 96 6.839 7.061 3.573 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.242 6.304 1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 96 8.672 6.074 2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.648 4.682 1.866 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.966 6.196 2.216 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.248 4.568 2.877 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.729 5.887 3.953 1.00 0.00 H new ATOM 1483 N GLN A 97 9.667 5.746 4.223 1.00 0.00 N ATOM 1484 CA GLN A 97 11.080 5.458 4.037 1.00 0.00 C ATOM 1485 C GLN A 97 11.560 4.458 5.091 1.00 0.00 C ATOM 1486 O GLN A 97 12.465 3.666 4.835 1.00 0.00 O ATOM 1487 CB GLN A 97 11.912 6.740 4.078 1.00 0.00 C ATOM 1488 CG GLN A 97 11.584 7.645 2.889 1.00 0.00 C ATOM 1489 CD GLN A 97 12.852 8.020 2.118 1.00 0.00 C ATOM 1490 OE1 GLN A 97 13.220 9.177 2.004 1.00 0.00 O ATOM 1491 NE2 GLN A 97 13.496 6.979 1.598 1.00 0.00 N ATOM 0 H GLN A 97 9.432 6.739 4.236 1.00 0.00 H new ATOM 0 HA GLN A 97 11.213 5.011 3.052 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.720 7.273 5.009 1.00 0.00 H new ATOM 0 HB3 GLN A 97 12.973 6.490 4.067 1.00 0.00 H new ATOM 0 HG2 GLN A 97 10.886 7.138 2.223 1.00 0.00 H new ATOM 0 HG3 GLN A 97 11.088 8.549 3.242 1.00 0.00 H new ATOM 0 HE21 GLN A 97 13.132 6.036 1.732 1.00 0.00 H new ATOM 0 HE22 GLN A 97 14.354 7.124 1.066 1.00 0.00 H new ATOM 1500 N LYS A 98 10.933 4.528 6.256 1.00 0.00 N ATOM 1501 CA LYS A 98 11.284 3.640 7.351 1.00 0.00 C ATOM 1502 C LYS A 98 10.900 2.206 6.981 1.00 0.00 C ATOM 1503 O LYS A 98 11.717 1.292 7.090 1.00 0.00 O ATOM 1504 CB LYS A 98 10.658 4.127 8.658 1.00 0.00 C ATOM 1505 CG LYS A 98 11.577 5.121 9.370 1.00 0.00 C ATOM 1506 CD LYS A 98 10.890 5.722 10.598 1.00 0.00 C ATOM 1507 CE LYS A 98 11.897 5.973 11.722 1.00 0.00 C ATOM 1508 NZ LYS A 98 11.201 6.405 12.955 1.00 0.00 N ATOM 0 H LYS A 98 10.183 5.187 6.466 1.00 0.00 H new ATOM 0 HA LYS A 98 12.361 3.649 7.519 1.00 0.00 H new ATOM 0 HB2 LYS A 98 9.697 4.598 8.451 1.00 0.00 H new ATOM 0 HB3 LYS A 98 10.462 3.276 9.310 1.00 0.00 H new ATOM 0 HG2 LYS A 98 12.496 4.619 9.673 1.00 0.00 H new ATOM 0 HG3 LYS A 98 11.860 5.917 8.681 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.404 6.658 10.325 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.109 5.047 10.949 1.00 0.00 H new ATOM 0 HE2 LYS A 98 12.466 5.064 11.918 1.00 0.00 H new ATOM 0 HE3 LYS A 98 12.612 6.736 11.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 11.899 6.571 13.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 10.678 7.284 12.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.537 5.664 13.256 1.00 0.00 H new ATOM 1522 N ALA A 99 9.656 2.052 6.552 1.00 0.00 N ATOM 1523 CA ALA A 99 9.154 0.744 6.166 1.00 0.00 C ATOM 1524 C ALA A 99 10.109 0.114 5.150 1.00 0.00 C ATOM 1525 O ALA A 99 10.532 -1.029 5.316 1.00 0.00 O ATOM 1526 CB ALA A 99 7.731 0.885 5.619 1.00 0.00 C ATOM 0 H ALA A 99 8.981 2.811 6.463 1.00 0.00 H new ATOM 0 HA ALA A 99 9.108 0.081 7.030 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.354 -0.096 5.329 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.086 1.309 6.388 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.739 1.542 4.749 1.00 0.00 H new ATOM 1532 N ALA A 100 10.422 0.889 4.122 1.00 0.00 N ATOM 1533 CA ALA A 100 11.320 0.422 3.079 1.00 0.00 C ATOM 1534 C ALA A 100 12.619 -0.075 3.716 1.00 0.00 C ATOM 1535 O ALA A 100 13.129 -1.133 3.350 1.00 0.00 O ATOM 1536 CB ALA A 100 11.559 1.546 2.070 1.00 0.00 C ATOM 0 H ALA A 100 10.070 1.837 3.989 1.00 0.00 H new ATOM 0 HA ALA A 100 10.877 -0.414 2.537 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.233 1.196 1.288 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.609 1.843 1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.006 2.401 2.577 1.00 0.00 H new ATOM 1542 N ALA A 101 13.118 0.712 4.658 1.00 0.00 N ATOM 1543 CA ALA A 101 14.348 0.364 5.349 1.00 0.00 C ATOM 1544 C ALA A 101 14.111 -0.880 6.209 1.00 0.00 C ATOM 1545 O ALA A 101 14.912 -1.814 6.190 1.00 0.00 O ATOM 1546 CB ALA A 101 14.825 1.560 6.175 1.00 0.00 C ATOM 0 H ALA A 101 12.693 1.589 4.959 1.00 0.00 H new ATOM 0 HA ALA A 101 15.135 0.126 4.634 1.00 0.00 H new ATOM 0 HB1 ALA A 101 15.748 1.299 6.694 1.00 0.00 H new ATOM 0 HB2 ALA A 101 15.007 2.408 5.515 1.00 0.00 H new ATOM 0 HB3 ALA A 101 14.061 1.826 6.906 1.00 0.00 H new ATOM 1552 N LEU A 102 13.008 -0.852 6.942 1.00 0.00 N ATOM 1553 CA LEU A 102 12.656 -1.966 7.806 1.00 0.00 C ATOM 1554 C LEU A 102 12.955 -3.281 7.084 1.00 0.00 C ATOM 1555 O LEU A 102 13.522 -4.201 7.670 1.00 0.00 O ATOM 1556 CB LEU A 102 11.206 -1.839 8.279 1.00 0.00 C ATOM 1557 CG LEU A 102 10.991 -1.068 9.583 1.00 0.00 C ATOM 1558 CD1 LEU A 102 11.574 -1.831 10.775 1.00 0.00 C ATOM 1559 CD2 LEU A 102 11.555 0.351 9.480 1.00 0.00 C ATOM 0 H LEU A 102 12.346 -0.076 6.956 1.00 0.00 H new ATOM 0 HA LEU A 102 13.264 -1.954 8.710 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.630 -1.352 7.493 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.795 -2.841 8.401 1.00 0.00 H new ATOM 0 HG LEU A 102 9.918 -0.977 9.753 1.00 0.00 H new ATOM 0 HD11 LEU A 102 11.407 -1.261 11.689 1.00 0.00 H new ATOM 0 HD12 LEU A 102 11.086 -2.802 10.859 1.00 0.00 H new ATOM 0 HD13 LEU A 102 12.644 -1.974 10.627 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.389 0.878 10.420 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.624 0.303 9.274 1.00 0.00 H new ATOM 0 HD23 LEU A 102 11.054 0.884 8.672 1.00 0.00 H new ATOM 1571 N GLY A 103 12.558 -3.328 5.820 1.00 0.00 N ATOM 1572 CA GLY A 103 12.776 -4.515 5.011 1.00 0.00 C ATOM 1573 C GLY A 103 11.544 -4.834 4.162 1.00 0.00 C ATOM 1574 O GLY A 103 11.131 -5.989 4.070 1.00 0.00 O ATOM 0 H GLY A 103 12.087 -2.563 5.337 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.639 -4.364 4.363 1.00 0.00 H new ATOM 0 HA3 GLY A 103 13.006 -5.362 5.657 1.00 0.00 H new ATOM 1578 N ALA A 104 10.992 -3.789 3.563 1.00 0.00 N ATOM 1579 CA ALA A 104 9.816 -3.944 2.724 1.00 0.00 C ATOM 1580 C ALA A 104 10.248 -4.066 1.262 1.00 0.00 C ATOM 1581 O ALA A 104 11.341 -3.634 0.896 1.00 0.00 O ATOM 1582 CB ALA A 104 8.866 -2.766 2.954 1.00 0.00 C ATOM 0 H ALA A 104 11.337 -2.832 3.642 1.00 0.00 H new ATOM 0 HA ALA A 104 9.277 -4.855 2.985 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.984 -2.882 2.325 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.564 -2.741 4.001 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.373 -1.835 2.700 1.00 0.00 H new ATOM 1588 N ASN A 105 9.370 -4.657 0.465 1.00 0.00 N ATOM 1589 CA ASN A 105 9.649 -4.842 -0.949 1.00 0.00 C ATOM 1590 C ASN A 105 9.592 -3.486 -1.657 1.00 0.00 C ATOM 1591 O ASN A 105 10.504 -3.134 -2.404 1.00 0.00 O ATOM 1592 CB ASN A 105 8.611 -5.758 -1.600 1.00 0.00 C ATOM 1593 CG ASN A 105 9.136 -6.335 -2.916 1.00 0.00 C ATOM 1594 OD1 ASN A 105 9.648 -7.440 -2.979 1.00 0.00 O ATOM 1595 ND2 ASN A 105 8.981 -5.525 -3.960 1.00 0.00 N ATOM 0 H ASN A 105 8.465 -5.014 0.772 1.00 0.00 H new ATOM 0 HA ASN A 105 10.637 -5.293 -1.042 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.359 -6.570 -0.918 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.693 -5.200 -1.784 1.00 0.00 H new ATOM 0 HD21 ASN A 105 9.300 -5.817 -4.884 1.00 0.00 H new ATOM 0 HD22 ASN A 105 8.543 -4.612 -3.837 1.00 0.00 H new ATOM 1602 N ASN A 106 8.513 -2.763 -1.397 1.00 0.00 N ATOM 1603 CA ASN A 106 8.326 -1.455 -1.999 1.00 0.00 C ATOM 1604 C ASN A 106 7.211 -0.712 -1.260 1.00 0.00 C ATOM 1605 O ASN A 106 6.055 -1.132 -1.288 1.00 0.00 O ATOM 1606 CB ASN A 106 7.917 -1.578 -3.469 1.00 0.00 C ATOM 1607 CG ASN A 106 9.008 -1.027 -4.389 1.00 0.00 C ATOM 1608 OD1 ASN A 106 8.699 0.132 -4.961 1.00 0.00 O flip ATOM 1609 ND2 ASN A 106 10.061 -1.617 -4.569 1.00 0.00 N flip ATOM 0 H ASN A 106 7.759 -3.059 -0.777 1.00 0.00 H new ATOM 0 HA ASN A 106 9.270 -0.915 -1.931 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.726 -2.624 -3.711 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.986 -1.037 -3.638 1.00 0.00 H new ATOM 0 HD21 ASN A 106 10.235 -2.505 -4.098 1.00 0.00 H new ATOM 0 HD22 ASN A 106 10.767 -1.222 -5.190 1.00 0.00 H new ATOM 1616 N VAL A 107 7.597 0.380 -0.616 1.00 0.00 N ATOM 1617 CA VAL A 107 6.645 1.184 0.130 1.00 0.00 C ATOM 1618 C VAL A 107 6.732 2.637 -0.343 1.00 0.00 C ATOM 1619 O VAL A 107 7.819 3.209 -0.408 1.00 0.00 O ATOM 1620 CB VAL A 107 6.892 1.029 1.632 1.00 0.00 C ATOM 1621 CG1 VAL A 107 8.315 1.453 2.001 1.00 0.00 C ATOM 1622 CG2 VAL A 107 5.858 1.814 2.441 1.00 0.00 C ATOM 0 H VAL A 107 8.556 0.726 -0.596 1.00 0.00 H new ATOM 0 HA VAL A 107 5.627 0.841 -0.055 1.00 0.00 H new ATOM 0 HB VAL A 107 6.782 -0.026 1.882 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.464 1.333 3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.031 0.831 1.464 1.00 0.00 H new ATOM 0 HG13 VAL A 107 8.466 2.498 1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 107 6.056 1.687 3.505 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.921 2.871 2.184 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.859 1.444 2.211 1.00 0.00 H new ATOM 1632 N LEU A 108 5.571 3.193 -0.660 1.00 0.00 N ATOM 1633 CA LEU A 108 5.502 4.567 -1.125 1.00 0.00 C ATOM 1634 C LEU A 108 4.579 5.367 -0.203 1.00 0.00 C ATOM 1635 O LEU A 108 3.628 4.821 0.353 1.00 0.00 O ATOM 1636 CB LEU A 108 5.092 4.615 -2.598 1.00 0.00 C ATOM 1637 CG LEU A 108 6.194 4.301 -3.612 1.00 0.00 C ATOM 1638 CD1 LEU A 108 7.525 4.924 -3.186 1.00 0.00 C ATOM 1639 CD2 LEU A 108 6.314 2.793 -3.841 1.00 0.00 C ATOM 0 H LEU A 108 4.671 2.716 -0.604 1.00 0.00 H new ATOM 0 HA LEU A 108 6.485 5.035 -1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.274 3.910 -2.750 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.700 5.609 -2.813 1.00 0.00 H new ATOM 0 HG LEU A 108 5.919 4.751 -4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.291 4.686 -3.924 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.414 6.006 -3.115 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.819 4.525 -2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.104 2.597 -4.566 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.555 2.300 -2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.369 2.406 -4.221 1.00 0.00 H new ATOM 1651 N ALA A 109 4.893 6.647 -0.070 1.00 0.00 N ATOM 1652 CA ALA A 109 4.103 7.527 0.775 1.00 0.00 C ATOM 1653 C ALA A 109 3.282 8.471 -0.106 1.00 0.00 C ATOM 1654 O ALA A 109 3.455 8.498 -1.324 1.00 0.00 O ATOM 1655 CB ALA A 109 5.028 8.281 1.733 1.00 0.00 C ATOM 0 H ALA A 109 5.683 7.096 -0.533 1.00 0.00 H new ATOM 0 HA ALA A 109 3.404 6.951 1.382 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.436 8.941 2.367 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.567 7.567 2.356 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.741 8.873 1.160 1.00 0.00 H new ATOM 1661 N LYS A 110 2.406 9.224 0.544 1.00 0.00 N ATOM 1662 CA LYS A 110 1.557 10.165 -0.165 1.00 0.00 C ATOM 1663 C LYS A 110 1.487 11.475 0.623 1.00 0.00 C ATOM 1664 O LYS A 110 0.416 11.875 1.077 1.00 0.00 O ATOM 1665 CB LYS A 110 0.188 9.545 -0.450 1.00 0.00 C ATOM 1666 CG LYS A 110 -0.292 9.898 -1.859 1.00 0.00 C ATOM 1667 CD LYS A 110 -1.776 10.271 -1.855 1.00 0.00 C ATOM 1668 CE LYS A 110 -1.960 11.787 -1.754 1.00 0.00 C ATOM 1669 NZ LYS A 110 -2.872 12.270 -2.814 1.00 0.00 N ATOM 0 H LYS A 110 2.266 9.201 1.554 1.00 0.00 H new ATOM 0 HA LYS A 110 1.982 10.401 -1.141 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.246 8.462 -0.343 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.536 9.900 0.284 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.295 10.730 -2.249 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.128 9.052 -2.526 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.250 9.903 -2.765 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.275 9.784 -1.017 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.362 12.046 -0.774 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.994 12.283 -1.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.986 13.300 -2.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.473 12.040 -3.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.799 11.810 -2.711 1.00 0.00 H new ATOM 1683 N PRO A 111 2.674 12.124 0.766 1.00 0.00 N ATOM 1684 CA PRO A 111 2.758 13.380 1.492 1.00 0.00 C ATOM 1685 C PRO A 111 2.188 14.532 0.661 1.00 0.00 C ATOM 1686 O PRO A 111 1.444 14.307 -0.292 1.00 0.00 O ATOM 1687 CB PRO A 111 4.234 13.552 1.811 1.00 0.00 C ATOM 1688 CG PRO A 111 4.978 12.630 0.859 1.00 0.00 C ATOM 1689 CD PRO A 111 3.963 11.681 0.243 1.00 0.00 C ATOM 0 HA PRO A 111 2.164 13.378 2.406 1.00 0.00 H new ATOM 0 HB2 PRO A 111 4.545 14.588 1.674 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.442 13.292 2.849 1.00 0.00 H new ATOM 0 HG2 PRO A 111 5.481 13.207 0.083 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.748 12.072 1.391 1.00 0.00 H new ATOM 0 HD2 PRO A 111 3.986 11.729 -0.846 1.00 0.00 H new ATOM 0 HD3 PRO A 111 4.169 10.647 0.521 1.00 0.00 H new ATOM 1697 N PHE A 112 2.560 15.742 1.053 1.00 0.00 N ATOM 1698 CA PHE A 112 2.095 16.930 0.357 1.00 0.00 C ATOM 1699 C PHE A 112 3.058 17.318 -0.767 1.00 0.00 C ATOM 1700 O PHE A 112 3.045 18.455 -1.235 1.00 0.00 O ATOM 1701 CB PHE A 112 2.049 18.062 1.385 1.00 0.00 C ATOM 1702 CG PHE A 112 0.671 18.270 2.019 1.00 0.00 C ATOM 1703 CD1 PHE A 112 -0.358 18.747 1.267 1.00 0.00 C ATOM 1704 CD2 PHE A 112 0.475 17.978 3.332 1.00 0.00 C ATOM 1705 CE1 PHE A 112 -1.635 18.940 1.854 1.00 0.00 C ATOM 1706 CE2 PHE A 112 -0.803 18.172 3.920 1.00 0.00 C ATOM 1707 CZ PHE A 112 -1.832 18.648 3.168 1.00 0.00 C ATOM 0 H PHE A 112 3.178 15.925 1.844 1.00 0.00 H new ATOM 0 HA PHE A 112 1.117 16.743 -0.086 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.773 17.853 2.173 1.00 0.00 H new ATOM 0 HB3 PHE A 112 2.360 18.989 0.904 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -0.203 18.979 0.224 1.00 0.00 H new ATOM 0 HD2 PHE A 112 1.292 17.598 3.928 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -2.451 19.319 1.257 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -0.958 17.942 4.964 1.00 0.00 H new ATOM 0 HZ PHE A 112 -2.805 18.794 3.614 1.00 0.00 H new ATOM 1717 N THR A 113 3.869 16.351 -1.169 1.00 0.00 N ATOM 1718 CA THR A 113 4.837 16.577 -2.230 1.00 0.00 C ATOM 1719 C THR A 113 4.604 15.598 -3.381 1.00 0.00 C ATOM 1720 O THR A 113 5.077 14.462 -3.341 1.00 0.00 O ATOM 1721 CB THR A 113 6.236 16.477 -1.621 1.00 0.00 C ATOM 1722 OG1 THR A 113 7.095 16.318 -2.748 1.00 0.00 O ATOM 1723 CG2 THR A 113 6.436 15.192 -0.816 1.00 0.00 C ATOM 0 H THR A 113 3.876 15.408 -0.779 1.00 0.00 H new ATOM 0 HA THR A 113 4.725 17.571 -2.663 1.00 0.00 H new ATOM 0 HB THR A 113 6.413 17.339 -0.977 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.024 16.247 -2.444 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.446 15.173 -0.406 1.00 0.00 H new ATOM 0 HG22 THR A 113 5.713 15.157 -0.001 1.00 0.00 H new ATOM 0 HG23 THR A 113 6.292 14.329 -1.466 1.00 0.00 H new ATOM 1731 N ILE A 114 3.875 16.071 -4.381 1.00 0.00 N ATOM 1732 CA ILE A 114 3.574 15.252 -5.543 1.00 0.00 C ATOM 1733 C ILE A 114 4.874 14.667 -6.099 1.00 0.00 C ATOM 1734 O ILE A 114 4.863 13.608 -6.724 1.00 0.00 O ATOM 1735 CB ILE A 114 2.771 16.052 -6.569 1.00 0.00 C ATOM 1736 CG1 ILE A 114 3.631 17.143 -7.209 1.00 0.00 C ATOM 1737 CG2 ILE A 114 1.494 16.620 -5.945 1.00 0.00 C ATOM 1738 CD1 ILE A 114 3.915 16.827 -8.679 1.00 0.00 C ATOM 0 H ILE A 114 3.483 17.012 -4.411 1.00 0.00 H new ATOM 0 HA ILE A 114 2.940 14.411 -5.263 1.00 0.00 H new ATOM 0 HB ILE A 114 2.465 15.374 -7.366 1.00 0.00 H new ATOM 0 HG12 ILE A 114 3.122 18.104 -7.132 1.00 0.00 H new ATOM 0 HG13 ILE A 114 4.571 17.236 -6.665 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.942 17.184 -6.696 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.874 15.802 -5.577 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.756 17.278 -5.116 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.528 17.619 -9.109 1.00 0.00 H new ATOM 0 HD12 ILE A 114 4.445 15.877 -8.751 1.00 0.00 H new ATOM 0 HD13 ILE A 114 2.974 16.759 -9.225 1.00 0.00 H new ATOM 1750 N GLU A 115 5.960 15.382 -5.851 1.00 0.00 N ATOM 1751 CA GLU A 115 7.266 14.946 -6.319 1.00 0.00 C ATOM 1752 C GLU A 115 7.658 13.628 -5.649 1.00 0.00 C ATOM 1753 O GLU A 115 8.219 12.743 -6.293 1.00 0.00 O ATOM 1754 CB GLU A 115 8.323 16.023 -6.073 1.00 0.00 C ATOM 1755 CG GLU A 115 9.485 15.886 -7.060 1.00 0.00 C ATOM 1756 CD GLU A 115 10.306 17.176 -7.122 1.00 0.00 C ATOM 1757 OE1 GLU A 115 10.871 17.540 -6.068 1.00 0.00 O ATOM 1758 OE2 GLU A 115 10.351 17.768 -8.222 1.00 0.00 O ATOM 0 H GLU A 115 5.964 16.260 -5.332 1.00 0.00 H new ATOM 0 HA GLU A 115 7.208 14.779 -7.395 1.00 0.00 H new ATOM 0 HB2 GLU A 115 7.872 17.010 -6.172 1.00 0.00 H new ATOM 0 HB3 GLU A 115 8.697 15.944 -5.052 1.00 0.00 H new ATOM 0 HG2 GLU A 115 10.126 15.057 -6.760 1.00 0.00 H new ATOM 0 HG3 GLU A 115 9.099 15.648 -8.051 1.00 0.00 H new ATOM 1765 N LYS A 116 7.346 13.539 -4.364 1.00 0.00 N ATOM 1766 CA LYS A 116 7.659 12.344 -3.600 1.00 0.00 C ATOM 1767 C LYS A 116 6.674 11.233 -3.972 1.00 0.00 C ATOM 1768 O LYS A 116 7.082 10.163 -4.423 1.00 0.00 O ATOM 1769 CB LYS A 116 7.693 12.659 -2.102 1.00 0.00 C ATOM 1770 CG LYS A 116 8.723 11.787 -1.383 1.00 0.00 C ATOM 1771 CD LYS A 116 10.121 12.405 -1.469 1.00 0.00 C ATOM 1772 CE LYS A 116 11.107 11.659 -0.568 1.00 0.00 C ATOM 1773 NZ LYS A 116 12.202 11.072 -1.373 1.00 0.00 N ATOM 0 H LYS A 116 6.880 14.275 -3.833 1.00 0.00 H new ATOM 0 HA LYS A 116 8.657 11.983 -3.850 1.00 0.00 H new ATOM 0 HB2 LYS A 116 7.935 13.711 -1.953 1.00 0.00 H new ATOM 0 HB3 LYS A 116 6.706 12.494 -1.669 1.00 0.00 H new ATOM 0 HG2 LYS A 116 8.438 11.668 -0.338 1.00 0.00 H new ATOM 0 HG3 LYS A 116 8.734 10.791 -1.826 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.472 12.376 -2.500 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.077 13.454 -1.176 1.00 0.00 H new ATOM 0 HE2 LYS A 116 11.519 12.342 0.174 1.00 0.00 H new ATOM 0 HE3 LYS A 116 10.586 10.872 -0.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 12.862 10.569 -0.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 11.805 10.405 -2.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.709 11.829 -1.874 1.00 0.00 H new ATOM 1787 N MET A 117 5.399 11.525 -3.769 1.00 0.00 N ATOM 1788 CA MET A 117 4.353 10.565 -4.078 1.00 0.00 C ATOM 1789 C MET A 117 4.449 10.097 -5.531 1.00 0.00 C ATOM 1790 O MET A 117 4.516 8.899 -5.799 1.00 0.00 O ATOM 1791 CB MET A 117 2.983 11.204 -3.836 1.00 0.00 C ATOM 1792 CG MET A 117 1.855 10.238 -4.201 1.00 0.00 C ATOM 1793 SD MET A 117 0.440 11.150 -4.796 1.00 0.00 S ATOM 1794 CE MET A 117 -0.456 9.837 -5.608 1.00 0.00 C ATOM 0 H MET A 117 5.066 12.413 -3.394 1.00 0.00 H new ATOM 0 HA MET A 117 4.479 9.699 -3.428 1.00 0.00 H new ATOM 0 HB2 MET A 117 2.893 11.495 -2.789 1.00 0.00 H new ATOM 0 HB3 MET A 117 2.893 12.114 -4.428 1.00 0.00 H new ATOM 0 HG2 MET A 117 2.196 9.540 -4.965 1.00 0.00 H new ATOM 0 HG3 MET A 117 1.576 9.645 -3.330 1.00 0.00 H new ATOM 0 HE1 MET A 117 -1.375 10.236 -6.039 1.00 0.00 H new ATOM 0 HE2 MET A 117 0.161 9.411 -6.399 1.00 0.00 H new ATOM 0 HE3 MET A 117 -0.702 9.062 -4.882 1.00 0.00 H new ATOM 1804 N LYS A 118 4.451 11.068 -6.433 1.00 0.00 N ATOM 1805 CA LYS A 118 4.538 10.772 -7.852 1.00 0.00 C ATOM 1806 C LYS A 118 5.794 9.940 -8.119 1.00 0.00 C ATOM 1807 O LYS A 118 5.706 8.823 -8.629 1.00 0.00 O ATOM 1808 CB LYS A 118 4.469 12.061 -8.674 1.00 0.00 C ATOM 1809 CG LYS A 118 4.212 11.756 -10.151 1.00 0.00 C ATOM 1810 CD LYS A 118 4.204 13.040 -10.983 1.00 0.00 C ATOM 1811 CE LYS A 118 2.901 13.816 -10.781 1.00 0.00 C ATOM 1812 NZ LYS A 118 2.360 14.267 -12.083 1.00 0.00 N ATOM 0 H LYS A 118 4.394 12.061 -6.208 1.00 0.00 H new ATOM 0 HA LYS A 118 3.684 10.173 -8.169 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.676 12.701 -8.288 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.403 12.613 -8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 118 4.981 11.081 -10.526 1.00 0.00 H new ATOM 0 HG3 LYS A 118 3.257 11.243 -10.259 1.00 0.00 H new ATOM 0 HD2 LYS A 118 5.051 13.665 -10.701 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.326 12.795 -12.038 1.00 0.00 H new ATOM 0 HE2 LYS A 118 2.170 13.185 -10.275 1.00 0.00 H new ATOM 0 HE3 LYS A 118 3.079 14.677 -10.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 1.476 14.792 -11.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 3.053 14.886 -12.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 2.171 13.441 -12.685 1.00 0.00 H new ATOM 1826 N ALA A 119 6.933 10.515 -7.764 1.00 0.00 N ATOM 1827 CA ALA A 119 8.205 9.839 -7.958 1.00 0.00 C ATOM 1828 C ALA A 119 8.167 8.478 -7.262 1.00 0.00 C ATOM 1829 O ALA A 119 8.731 7.505 -7.760 1.00 0.00 O ATOM 1830 CB ALA A 119 9.339 10.727 -7.441 1.00 0.00 C ATOM 0 H ALA A 119 7.002 11.442 -7.343 1.00 0.00 H new ATOM 0 HA ALA A 119 8.387 9.661 -9.018 1.00 0.00 H new ATOM 0 HB1 ALA A 119 10.293 10.220 -7.586 1.00 0.00 H new ATOM 0 HB2 ALA A 119 9.342 11.669 -7.989 1.00 0.00 H new ATOM 0 HB3 ALA A 119 9.191 10.925 -6.379 1.00 0.00 H new ATOM 1836 N ALA A 120 7.494 8.452 -6.120 1.00 0.00 N ATOM 1837 CA ALA A 120 7.376 7.225 -5.350 1.00 0.00 C ATOM 1838 C ALA A 120 6.740 6.140 -6.223 1.00 0.00 C ATOM 1839 O ALA A 120 7.316 5.068 -6.404 1.00 0.00 O ATOM 1840 CB ALA A 120 6.569 7.496 -4.079 1.00 0.00 C ATOM 0 H ALA A 120 7.026 9.260 -5.710 1.00 0.00 H new ATOM 0 HA ALA A 120 8.359 6.868 -5.043 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.480 6.576 -3.501 1.00 0.00 H new ATOM 0 HB2 ALA A 120 7.076 8.253 -3.481 1.00 0.00 H new ATOM 0 HB3 ALA A 120 5.575 7.853 -4.348 1.00 0.00 H new ATOM 1846 N ILE A 121 5.562 6.456 -6.738 1.00 0.00 N ATOM 1847 CA ILE A 121 4.842 5.520 -7.587 1.00 0.00 C ATOM 1848 C ILE A 121 5.721 5.141 -8.781 1.00 0.00 C ATOM 1849 O ILE A 121 5.773 3.976 -9.172 1.00 0.00 O ATOM 1850 CB ILE A 121 3.481 6.097 -7.985 1.00 0.00 C ATOM 1851 CG1 ILE A 121 3.530 6.693 -9.394 1.00 0.00 C ATOM 1852 CG2 ILE A 121 2.990 7.110 -6.950 1.00 0.00 C ATOM 1853 CD1 ILE A 121 2.119 6.891 -9.953 1.00 0.00 C ATOM 0 H ILE A 121 5.087 7.346 -6.585 1.00 0.00 H new ATOM 0 HA ILE A 121 4.627 4.600 -7.044 1.00 0.00 H new ATOM 0 HB ILE A 121 2.757 5.282 -8.005 1.00 0.00 H new ATOM 0 HG12 ILE A 121 4.054 7.649 -9.371 1.00 0.00 H new ATOM 0 HG13 ILE A 121 4.097 6.035 -10.052 1.00 0.00 H new ATOM 0 HG21 ILE A 121 2.021 7.504 -7.258 1.00 0.00 H new ATOM 0 HG22 ILE A 121 2.892 6.621 -5.981 1.00 0.00 H new ATOM 0 HG23 ILE A 121 3.706 7.928 -6.873 1.00 0.00 H new ATOM 0 HD11 ILE A 121 2.181 7.316 -10.955 1.00 0.00 H new ATOM 0 HD12 ILE A 121 1.607 5.930 -9.997 1.00 0.00 H new ATOM 0 HD13 ILE A 121 1.563 7.569 -9.305 1.00 0.00 H new ATOM 1865 N GLU A 122 6.391 6.146 -9.325 1.00 0.00 N ATOM 1866 CA GLU A 122 7.266 5.932 -10.465 1.00 0.00 C ATOM 1867 C GLU A 122 8.319 4.871 -10.134 1.00 0.00 C ATOM 1868 O GLU A 122 8.909 4.275 -11.034 1.00 0.00 O ATOM 1869 CB GLU A 122 7.925 7.241 -10.904 1.00 0.00 C ATOM 1870 CG GLU A 122 6.885 8.225 -11.444 1.00 0.00 C ATOM 1871 CD GLU A 122 7.450 9.034 -12.612 1.00 0.00 C ATOM 1872 OE1 GLU A 122 8.322 8.482 -13.316 1.00 0.00 O ATOM 1873 OE2 GLU A 122 6.998 10.188 -12.773 1.00 0.00 O ATOM 0 H GLU A 122 6.346 7.111 -8.997 1.00 0.00 H new ATOM 0 HA GLU A 122 6.663 5.570 -11.298 1.00 0.00 H new ATOM 0 HB2 GLU A 122 8.450 7.688 -10.060 1.00 0.00 H new ATOM 0 HB3 GLU A 122 8.671 7.037 -11.672 1.00 0.00 H new ATOM 0 HG2 GLU A 122 5.999 7.680 -11.769 1.00 0.00 H new ATOM 0 HG3 GLU A 122 6.570 8.900 -10.648 1.00 0.00 H new ATOM 1880 N ALA A 123 8.523 4.670 -8.841 1.00 0.00 N ATOM 1881 CA ALA A 123 9.496 3.692 -8.380 1.00 0.00 C ATOM 1882 C ALA A 123 8.826 2.320 -8.286 1.00 0.00 C ATOM 1883 O ALA A 123 9.368 1.326 -8.766 1.00 0.00 O ATOM 1884 CB ALA A 123 10.083 4.147 -7.044 1.00 0.00 C ATOM 0 H ALA A 123 8.032 5.167 -8.098 1.00 0.00 H new ATOM 0 HA ALA A 123 10.322 3.608 -9.087 1.00 0.00 H new ATOM 0 HB1 ALA A 123 10.812 3.414 -6.698 1.00 0.00 H new ATOM 0 HB2 ALA A 123 10.572 5.113 -7.171 1.00 0.00 H new ATOM 0 HB3 ALA A 123 9.284 4.239 -6.308 1.00 0.00 H new ATOM 1890 N VAL A 124 7.656 2.309 -7.664 1.00 0.00 N ATOM 1891 CA VAL A 124 6.907 1.075 -7.500 1.00 0.00 C ATOM 1892 C VAL A 124 6.584 0.492 -8.877 1.00 0.00 C ATOM 1893 O VAL A 124 6.576 -0.725 -9.054 1.00 0.00 O ATOM 1894 CB VAL A 124 5.659 1.328 -6.651 1.00 0.00 C ATOM 1895 CG1 VAL A 124 4.417 1.470 -7.532 1.00 0.00 C ATOM 1896 CG2 VAL A 124 5.470 0.222 -5.610 1.00 0.00 C ATOM 0 H VAL A 124 7.208 3.135 -7.268 1.00 0.00 H new ATOM 0 HA VAL A 124 7.503 0.336 -6.965 1.00 0.00 H new ATOM 0 HB VAL A 124 5.801 2.268 -6.118 1.00 0.00 H new ATOM 0 HG11 VAL A 124 3.544 1.649 -6.904 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.550 2.308 -8.216 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.270 0.554 -8.105 1.00 0.00 H new ATOM 0 HG21 VAL A 124 4.576 0.426 -5.020 1.00 0.00 H new ATOM 0 HG22 VAL A 124 5.360 -0.738 -6.115 1.00 0.00 H new ATOM 0 HG23 VAL A 124 6.339 0.189 -4.952 1.00 0.00 H new ATOM 1906 N PHE A 125 6.328 1.389 -9.818 1.00 0.00 N ATOM 1907 CA PHE A 125 6.005 0.980 -11.175 1.00 0.00 C ATOM 1908 C PHE A 125 7.276 0.780 -12.003 1.00 0.00 C ATOM 1909 O PHE A 125 7.218 0.278 -13.125 1.00 0.00 O ATOM 1910 CB PHE A 125 5.177 2.105 -11.797 1.00 0.00 C ATOM 1911 CG PHE A 125 3.793 2.280 -11.169 1.00 0.00 C ATOM 1912 CD1 PHE A 125 2.912 1.243 -11.167 1.00 0.00 C ATOM 1913 CD2 PHE A 125 3.443 3.471 -10.613 1.00 0.00 C ATOM 1914 CE1 PHE A 125 1.626 1.405 -10.584 1.00 0.00 C ATOM 1915 CE2 PHE A 125 2.159 3.632 -10.030 1.00 0.00 C ATOM 1916 CZ PHE A 125 1.278 2.597 -10.028 1.00 0.00 C ATOM 0 H PHE A 125 6.338 2.398 -9.668 1.00 0.00 H new ATOM 0 HA PHE A 125 5.460 0.036 -11.160 1.00 0.00 H new ATOM 0 HB2 PHE A 125 5.728 3.041 -11.704 1.00 0.00 H new ATOM 0 HB3 PHE A 125 5.059 1.909 -12.863 1.00 0.00 H new ATOM 0 HD1 PHE A 125 3.190 0.297 -11.608 1.00 0.00 H new ATOM 0 HD2 PHE A 125 4.142 4.294 -10.615 1.00 0.00 H new ATOM 0 HE1 PHE A 125 0.926 0.583 -10.582 1.00 0.00 H new ATOM 0 HE2 PHE A 125 1.882 4.577 -9.588 1.00 0.00 H new ATOM 0 HZ PHE A 125 0.301 2.721 -9.585 1.00 0.00 H new