USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 894 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 128 GLN : amide:sc= 0.502 K(o=1.4,f=-4.1!) USER MOD Set 1.2: A 129 GLN : amide:sc= 0.905 K(o=1.4,f=-0.55) USER MOD Set 2.1: A 75 HIS : no HE2:sc= -1.46! C(o=-1.1!,f=-8.7!) USER MOD Set 2.2: A 79 GLN : amide:sc= 0.388 K(o=-1.1,f=-3.5) USER MOD Set 3.1: A 32 MET CE :methyl -158:sc= -3.35 (180deg=-6.92!) USER MOD Set 3.2: A 106 LYS NZ :NH3+ 138:sc= 2.32 (180deg=1.36) USER MOD Single : A 12 GLN : amide:sc= 0.457 K(o=0.46,f=-0.063) USER MOD Single : A 14 HIS : no HE2:sc= -1.42 K(o=-0.69,f=-10!) USER MOD Single : A 17 TYR OH : rot 30:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.107 K(o=-0.11,f=-2!) USER MOD Single : A 26 ASN : amide:sc= 1.2 K(o=1.2,f=0) USER MOD Single : A 28 MET CE :methyl 151:sc= -2.98! (180deg=-4.6!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.931 X(o=-0.93,f=-0.62) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HE2:sc= 0.413 K(o=0.41,f=-1.7!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0291 USER MOD Single : A 52 SER OG : rot 180:sc= -0.04 USER MOD Single : A 54 HIS : no HD1:sc= -1.03! C(o=-1!,f=-4.6!) USER MOD Single : A 56 GLN : amide:sc= -0.102 K(o=-0.1,f=-2.2!) USER MOD Single : A 58 LYS NZ :NH3+ -157:sc= -0.0403 (180deg=-0.247) USER MOD Single : A 59 SER OG : rot 180:sc= -0.154 USER MOD Single : A 60 THR OG1 : rot -77:sc= -0.151 USER MOD Single : A 76 LYS NZ :NH3+ 154:sc= 1.24 (180deg=1.17) USER MOD Single : A 95 TYR OH : rot 105:sc= 1.24 USER MOD Single : A 96 THR OG1 : rot -108:sc= 0.766 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.00646 USER MOD Single : A 99 THR OG1 : rot 140:sc= -2.46! USER MOD Single : A 101 GLN : amide:sc= -0.752 X(o=-0.75,f=-0.74) USER MOD Single : A 104 ASN : amide:sc= 0.585 K(o=0.59,f=-4.8!) USER MOD Single : A 105 SER OG : rot -74:sc= 1.21 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.0079) USER MOD Single : A 112 GLN : amide:sc= 0.486 X(o=0.49,f=-0.0054) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 HIS : no HD1:sc= 0.167 K(o=0.17,f=-2.5!) USER MOD Single : A 125 GLN : amide:sc= -1.39 K(o=-1.4,f=-0.33) USER MOD Single : A 126 SER OG : rot 153:sc= 0.128 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N GLU A 8 -17.705 -6.217 3.582 1.00 0.00 N ATOM 109 CA GLU A 8 -17.214 -7.268 2.699 1.00 0.00 C ATOM 110 C GLU A 8 -16.866 -6.691 1.332 1.00 0.00 C ATOM 111 O GLU A 8 -15.977 -7.192 0.639 1.00 0.00 O ATOM 112 CB GLU A 8 -18.247 -8.383 2.557 1.00 0.00 C ATOM 113 CG GLU A 8 -18.277 -9.328 3.746 1.00 0.00 C ATOM 114 CD GLU A 8 -17.413 -10.559 3.552 1.00 0.00 C ATOM 115 OE1 GLU A 8 -16.478 -10.519 2.724 1.00 0.00 O ATOM 116 OE2 GLU A 8 -17.668 -11.575 4.229 1.00 0.00 O ATOM 0 HA GLU A 8 -16.312 -7.692 3.140 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -19.235 -7.940 2.429 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -18.034 -8.954 1.653 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -17.943 -8.794 4.635 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -19.306 -9.639 3.929 1.00 0.00 H new ATOM 123 N ALA A 9 -17.554 -5.619 0.954 1.00 0.00 N ATOM 124 CA ALA A 9 -17.277 -4.945 -0.308 1.00 0.00 C ATOM 125 C ALA A 9 -15.963 -4.192 -0.214 1.00 0.00 C ATOM 126 O ALA A 9 -15.152 -4.206 -1.140 1.00 0.00 O ATOM 127 CB ALA A 9 -18.403 -3.992 -0.679 1.00 0.00 C ATOM 0 H ALA A 9 -18.305 -5.200 1.502 1.00 0.00 H new ATOM 0 HA ALA A 9 -17.203 -5.700 -1.090 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -18.169 -3.503 -1.625 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -19.334 -4.550 -0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -18.514 -3.239 0.101 1.00 0.00 H new ATOM 133 N ILE A 10 -15.744 -3.554 0.926 1.00 0.00 N ATOM 134 CA ILE A 10 -14.507 -2.826 1.153 1.00 0.00 C ATOM 135 C ILE A 10 -13.375 -3.793 1.497 1.00 0.00 C ATOM 136 O ILE A 10 -12.202 -3.416 1.514 1.00 0.00 O ATOM 137 CB ILE A 10 -14.650 -1.757 2.256 1.00 0.00 C ATOM 138 CG1 ILE A 10 -14.942 -2.394 3.610 1.00 0.00 C ATOM 139 CG2 ILE A 10 -15.736 -0.756 1.891 1.00 0.00 C ATOM 140 CD1 ILE A 10 -13.808 -2.247 4.594 1.00 0.00 C ATOM 0 H ILE A 10 -16.403 -3.526 1.704 1.00 0.00 H new ATOM 0 HA ILE A 10 -14.267 -2.305 0.226 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.700 -1.228 2.334 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -15.840 -1.942 4.031 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -15.155 -3.453 3.467 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -15.823 -0.009 2.680 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.477 -0.264 0.953 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -16.687 -1.276 1.777 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -14.080 -2.722 5.537 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -12.914 -2.724 4.193 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -13.609 -1.189 4.765 1.00 0.00 H new ATOM 152 N ASP A 11 -13.734 -5.045 1.764 1.00 0.00 N ATOM 153 CA ASP A 11 -12.745 -6.105 1.931 1.00 0.00 C ATOM 154 C ASP A 11 -12.118 -6.424 0.585 1.00 0.00 C ATOM 155 O ASP A 11 -10.977 -6.870 0.504 1.00 0.00 O ATOM 156 CB ASP A 11 -13.375 -7.362 2.533 1.00 0.00 C ATOM 157 CG ASP A 11 -12.521 -7.967 3.632 1.00 0.00 C ATOM 158 OD1 ASP A 11 -11.773 -7.213 4.292 1.00 0.00 O ATOM 159 OD2 ASP A 11 -12.595 -9.196 3.841 1.00 0.00 O ATOM 0 H ASP A 11 -14.702 -5.350 1.869 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.976 -5.758 2.621 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -14.358 -7.116 2.934 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -13.528 -8.101 1.747 1.00 0.00 H new ATOM 164 N GLN A 12 -12.870 -6.164 -0.478 1.00 0.00 N ATOM 165 CA GLN A 12 -12.359 -6.313 -1.830 1.00 0.00 C ATOM 166 C GLN A 12 -11.394 -5.173 -2.133 1.00 0.00 C ATOM 167 O GLN A 12 -10.483 -5.310 -2.947 1.00 0.00 O ATOM 168 CB GLN A 12 -13.503 -6.341 -2.848 1.00 0.00 C ATOM 169 CG GLN A 12 -14.589 -7.359 -2.519 1.00 0.00 C ATOM 170 CD GLN A 12 -14.031 -8.703 -2.080 1.00 0.00 C ATOM 171 OE1 GLN A 12 -13.535 -9.480 -2.894 1.00 0.00 O ATOM 172 NE2 GLN A 12 -14.094 -8.980 -0.785 1.00 0.00 N ATOM 0 H GLN A 12 -13.838 -5.848 -0.426 1.00 0.00 H new ATOM 0 HA GLN A 12 -11.828 -7.262 -1.906 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -13.952 -5.349 -2.905 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.095 -6.563 -3.834 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -15.225 -6.960 -1.729 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -15.221 -7.503 -3.395 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.513 -8.310 -0.140 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -13.723 -9.863 -0.434 1.00 0.00 H new ATOM 181 N LEU A 13 -11.600 -4.044 -1.464 1.00 0.00 N ATOM 182 CA LEU A 13 -10.636 -2.954 -1.506 1.00 0.00 C ATOM 183 C LEU A 13 -9.413 -3.350 -0.689 1.00 0.00 C ATOM 184 O LEU A 13 -8.283 -3.033 -1.042 1.00 0.00 O ATOM 185 CB LEU A 13 -11.235 -1.654 -0.957 1.00 0.00 C ATOM 186 CG LEU A 13 -12.575 -1.235 -1.564 1.00 0.00 C ATOM 187 CD1 LEU A 13 -13.063 0.056 -0.929 1.00 0.00 C ATOM 188 CD2 LEU A 13 -12.458 -1.073 -3.073 1.00 0.00 C ATOM 0 H LEU A 13 -12.422 -3.861 -0.889 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.355 -2.773 -2.544 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.362 -1.760 0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.517 -0.849 -1.115 1.00 0.00 H new ATOM 0 HG LEU A 13 -13.303 -2.021 -1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -14.017 0.341 -1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -13.190 -0.091 0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.332 0.846 -1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.423 -0.775 -3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -11.715 -0.308 -3.300 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.152 -2.020 -3.518 1.00 0.00 H new ATOM 200 N HIS A 14 -9.654 -4.068 0.408 1.00 0.00 N ATOM 201 CA HIS A 14 -8.568 -4.602 1.225 1.00 0.00 C ATOM 202 C HIS A 14 -7.702 -5.524 0.384 1.00 0.00 C ATOM 203 O HIS A 14 -6.479 -5.549 0.533 1.00 0.00 O ATOM 204 CB HIS A 14 -9.114 -5.369 2.432 1.00 0.00 C ATOM 205 CG HIS A 14 -9.631 -4.485 3.525 1.00 0.00 C ATOM 206 ND1 HIS A 14 -10.580 -4.891 4.436 1.00 0.00 N ATOM 207 CD2 HIS A 14 -9.335 -3.202 3.841 1.00 0.00 C ATOM 208 CE1 HIS A 14 -10.845 -3.904 5.265 1.00 0.00 C ATOM 209 NE2 HIS A 14 -10.106 -2.859 4.929 1.00 0.00 N ATOM 0 H HIS A 14 -10.589 -4.292 0.749 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.971 -3.766 1.590 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.916 -6.028 2.100 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.325 -6.005 2.834 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -11.011 -5.815 4.464 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.625 -2.565 3.333 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -11.549 -3.941 6.084 1.00 0.00 H new ATOM 218 N LEU A 15 -8.354 -6.286 -0.490 1.00 0.00 N ATOM 219 CA LEU A 15 -7.665 -7.121 -1.452 1.00 0.00 C ATOM 220 C LEU A 15 -6.764 -6.284 -2.343 1.00 0.00 C ATOM 221 O LEU A 15 -5.607 -6.620 -2.552 1.00 0.00 O ATOM 222 CB LEU A 15 -8.680 -7.866 -2.319 1.00 0.00 C ATOM 223 CG LEU A 15 -8.937 -9.323 -1.947 1.00 0.00 C ATOM 224 CD1 LEU A 15 -7.774 -9.920 -1.172 1.00 0.00 C ATOM 225 CD2 LEU A 15 -10.243 -9.456 -1.187 1.00 0.00 C ATOM 0 H LEU A 15 -9.371 -6.338 -0.546 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.053 -7.838 -0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.627 -7.329 -2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.339 -7.831 -3.354 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.025 -9.895 -2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.996 -10.958 -0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.871 -9.876 -1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.620 -9.354 -0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.410 -10.502 -0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.195 -8.861 -0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.064 -9.100 -1.809 1.00 0.00 H new ATOM 237 N GLU A 16 -7.303 -5.183 -2.850 1.00 0.00 N ATOM 238 CA GLU A 16 -6.562 -4.309 -3.747 1.00 0.00 C ATOM 239 C GLU A 16 -5.405 -3.641 -3.025 1.00 0.00 C ATOM 240 O GLU A 16 -4.367 -3.357 -3.625 1.00 0.00 O ATOM 241 CB GLU A 16 -7.492 -3.246 -4.332 1.00 0.00 C ATOM 242 CG GLU A 16 -8.449 -3.781 -5.379 1.00 0.00 C ATOM 243 CD GLU A 16 -7.762 -4.069 -6.695 1.00 0.00 C ATOM 244 OE1 GLU A 16 -6.921 -3.248 -7.120 1.00 0.00 O ATOM 245 OE2 GLU A 16 -8.063 -5.115 -7.311 1.00 0.00 O ATOM 0 H GLU A 16 -8.255 -4.874 -2.654 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.157 -4.918 -4.555 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.067 -2.795 -3.524 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.889 -2.453 -4.775 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.915 -4.694 -5.008 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.248 -3.058 -5.540 1.00 0.00 H new ATOM 252 N TYR A 17 -5.581 -3.400 -1.738 1.00 0.00 N ATOM 253 CA TYR A 17 -4.520 -2.823 -0.937 1.00 0.00 C ATOM 254 C TYR A 17 -3.439 -3.874 -0.735 1.00 0.00 C ATOM 255 O TYR A 17 -2.259 -3.605 -0.918 1.00 0.00 O ATOM 256 CB TYR A 17 -5.053 -2.326 0.417 1.00 0.00 C ATOM 257 CG TYR A 17 -4.150 -1.317 1.119 1.00 0.00 C ATOM 258 CD1 TYR A 17 -2.829 -1.621 1.434 1.00 0.00 C ATOM 259 CD2 TYR A 17 -4.629 -0.064 1.481 1.00 0.00 C ATOM 260 CE1 TYR A 17 -2.017 -0.715 2.087 1.00 0.00 C ATOM 261 CE2 TYR A 17 -3.822 0.848 2.137 1.00 0.00 C ATOM 262 CZ TYR A 17 -2.521 0.517 2.437 1.00 0.00 C ATOM 263 OH TYR A 17 -1.717 1.423 3.094 1.00 0.00 O ATOM 0 H TYR A 17 -6.443 -3.594 -1.229 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.105 -1.959 -1.456 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.033 -1.873 0.264 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.198 -3.184 1.074 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.430 -2.587 1.162 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.649 0.202 1.246 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.994 -0.971 2.321 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.212 1.817 2.413 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.784 1.285 2.828 1.00 0.00 H new ATOM 273 N ALA A 18 -3.866 -5.088 -0.407 1.00 0.00 N ATOM 274 CA ALA A 18 -2.941 -6.190 -0.169 1.00 0.00 C ATOM 275 C ALA A 18 -2.284 -6.636 -1.473 1.00 0.00 C ATOM 276 O ALA A 18 -1.185 -7.185 -1.465 1.00 0.00 O ATOM 277 CB ALA A 18 -3.664 -7.357 0.512 1.00 0.00 C ATOM 0 H ALA A 18 -4.850 -5.335 -0.300 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.153 -5.843 0.499 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.960 -8.171 0.683 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.073 -7.025 1.466 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.474 -7.706 -0.128 1.00 0.00 H new ATOM 283 N LYS A 19 -2.953 -6.384 -2.592 1.00 0.00 N ATOM 284 CA LYS A 19 -2.412 -6.728 -3.899 1.00 0.00 C ATOM 285 C LYS A 19 -1.370 -5.705 -4.334 1.00 0.00 C ATOM 286 O LYS A 19 -0.392 -6.044 -4.993 1.00 0.00 O ATOM 287 CB LYS A 19 -3.535 -6.800 -4.936 1.00 0.00 C ATOM 288 CG LYS A 19 -3.754 -8.194 -5.502 1.00 0.00 C ATOM 289 CD LYS A 19 -4.440 -9.103 -4.495 1.00 0.00 C ATOM 290 CE LYS A 19 -5.664 -9.775 -5.093 1.00 0.00 C ATOM 291 NZ LYS A 19 -5.299 -10.921 -5.965 1.00 0.00 N ATOM 0 H LYS A 19 -3.872 -5.942 -2.619 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.934 -7.705 -3.825 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.462 -6.453 -4.480 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.307 -6.117 -5.754 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.359 -8.130 -6.407 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.795 -8.626 -5.790 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.738 -9.863 -4.152 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.734 -8.522 -3.620 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.315 -10.123 -4.291 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.232 -9.046 -5.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.163 -11.351 -6.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.699 -10.586 -6.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.779 -11.629 -5.408 1.00 0.00 H new ATOM 305 N ARG A 20 -1.587 -4.451 -3.959 1.00 0.00 N ATOM 306 CA ARG A 20 -0.689 -3.374 -4.336 1.00 0.00 C ATOM 307 C ARG A 20 0.450 -3.220 -3.342 1.00 0.00 C ATOM 308 O ARG A 20 1.586 -2.947 -3.727 1.00 0.00 O ATOM 309 CB ARG A 20 -1.463 -2.064 -4.440 1.00 0.00 C ATOM 310 CG ARG A 20 -1.657 -1.579 -5.862 1.00 0.00 C ATOM 311 CD ARG A 20 -2.443 -0.280 -5.895 1.00 0.00 C ATOM 312 NE ARG A 20 -3.279 -0.167 -7.087 1.00 0.00 N ATOM 313 CZ ARG A 20 -4.385 -0.883 -7.305 1.00 0.00 C ATOM 314 NH1 ARG A 20 -4.818 -1.761 -6.403 1.00 0.00 N ATOM 315 NH2 ARG A 20 -5.060 -0.720 -8.432 1.00 0.00 N ATOM 0 H ARG A 20 -2.382 -4.157 -3.391 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.258 -3.625 -5.305 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.440 -2.192 -3.973 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.937 -1.296 -3.873 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.686 -1.432 -6.335 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.181 -2.340 -6.440 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.071 -0.215 -5.006 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.751 0.561 -5.858 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.999 0.505 -7.802 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.303 -1.894 -5.532 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.664 -2.301 -6.583 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.735 -0.050 -9.129 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.905 -1.264 -8.603 1.00 0.00 H new ATOM 329 N ALA A 21 0.147 -3.394 -2.067 1.00 0.00 N ATOM 330 CA ALA A 21 1.156 -3.285 -1.029 1.00 0.00 C ATOM 331 C ALA A 21 2.138 -4.442 -1.113 1.00 0.00 C ATOM 332 O ALA A 21 3.246 -4.362 -0.592 1.00 0.00 O ATOM 333 CB ALA A 21 0.503 -3.244 0.341 1.00 0.00 C ATOM 0 H ALA A 21 -0.790 -3.611 -1.726 1.00 0.00 H new ATOM 0 HA ALA A 21 1.706 -2.356 -1.181 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.273 -3.162 1.109 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.163 -2.383 0.401 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.071 -4.157 0.498 1.00 0.00 H new ATOM 339 N ALA A 22 1.734 -5.512 -1.791 1.00 0.00 N ATOM 340 CA ALA A 22 2.566 -6.708 -1.891 1.00 0.00 C ATOM 341 C ALA A 22 3.864 -6.441 -2.670 1.00 0.00 C ATOM 342 O ALA A 22 4.954 -6.614 -2.122 1.00 0.00 O ATOM 343 CB ALA A 22 1.790 -7.873 -2.497 1.00 0.00 C ATOM 0 H ALA A 22 0.840 -5.576 -2.278 1.00 0.00 H new ATOM 0 HA ALA A 22 2.850 -6.986 -0.876 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.437 -8.748 -2.558 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.928 -8.102 -1.870 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.450 -7.603 -3.497 1.00 0.00 H new ATOM 349 N PRO A 23 3.795 -6.009 -3.951 1.00 0.00 N ATOM 350 CA PRO A 23 5.004 -5.714 -4.724 1.00 0.00 C ATOM 351 C PRO A 23 5.692 -4.443 -4.240 1.00 0.00 C ATOM 352 O PRO A 23 6.910 -4.300 -4.365 1.00 0.00 O ATOM 353 CB PRO A 23 4.488 -5.540 -6.155 1.00 0.00 C ATOM 354 CG PRO A 23 3.072 -5.112 -5.995 1.00 0.00 C ATOM 355 CD PRO A 23 2.572 -5.789 -4.748 1.00 0.00 C ATOM 0 HA PRO A 23 5.753 -6.500 -4.630 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.069 -4.794 -6.698 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.559 -6.471 -6.718 1.00 0.00 H new ATOM 0 HG2 PRO A 23 3.000 -4.028 -5.906 1.00 0.00 H new ATOM 0 HG3 PRO A 23 2.477 -5.401 -6.861 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.854 -5.166 -4.215 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.070 -6.729 -4.977 1.00 0.00 H new ATOM 363 N PHE A 24 4.909 -3.535 -3.672 1.00 0.00 N ATOM 364 CA PHE A 24 5.452 -2.300 -3.123 1.00 0.00 C ATOM 365 C PHE A 24 6.355 -2.610 -1.936 1.00 0.00 C ATOM 366 O PHE A 24 7.459 -2.076 -1.827 1.00 0.00 O ATOM 367 CB PHE A 24 4.317 -1.356 -2.707 1.00 0.00 C ATOM 368 CG PHE A 24 4.705 0.097 -2.641 1.00 0.00 C ATOM 369 CD1 PHE A 24 5.895 0.548 -3.192 1.00 0.00 C ATOM 370 CD2 PHE A 24 3.868 1.013 -2.023 1.00 0.00 C ATOM 371 CE1 PHE A 24 6.241 1.885 -3.123 1.00 0.00 C ATOM 372 CE2 PHE A 24 4.209 2.347 -1.952 1.00 0.00 C ATOM 373 CZ PHE A 24 5.395 2.785 -2.505 1.00 0.00 C ATOM 0 H PHE A 24 3.898 -3.630 -3.580 1.00 0.00 H new ATOM 0 HA PHE A 24 6.045 -1.803 -3.891 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.493 -1.467 -3.411 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.945 -1.664 -1.730 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.558 -0.152 -3.680 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.937 0.677 -1.591 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.172 2.225 -3.552 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.549 3.048 -1.464 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.661 3.830 -2.455 1.00 0.00 H new ATOM 383 N ASN A 25 5.897 -3.506 -1.073 1.00 0.00 N ATOM 384 CA ASN A 25 6.671 -3.894 0.100 1.00 0.00 C ATOM 385 C ASN A 25 7.865 -4.724 -0.319 1.00 0.00 C ATOM 386 O ASN A 25 8.906 -4.703 0.329 1.00 0.00 O ATOM 387 CB ASN A 25 5.810 -4.678 1.093 1.00 0.00 C ATOM 388 CG ASN A 25 6.293 -4.534 2.526 1.00 0.00 C ATOM 389 OD1 ASN A 25 7.163 -3.717 2.827 1.00 0.00 O ATOM 390 ND2 ASN A 25 5.726 -5.329 3.423 1.00 0.00 N ATOM 0 H ASN A 25 4.997 -3.977 -1.161 1.00 0.00 H new ATOM 0 HA ASN A 25 7.019 -2.987 0.594 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.778 -4.333 1.025 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.813 -5.732 0.817 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.008 -5.276 4.402 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.008 -5.993 3.134 1.00 0.00 H new ATOM 397 N ASN A 26 7.715 -5.419 -1.431 1.00 0.00 N ATOM 398 CA ASN A 26 8.791 -6.246 -1.965 1.00 0.00 C ATOM 399 C ASN A 26 9.933 -5.349 -2.417 1.00 0.00 C ATOM 400 O ASN A 26 11.108 -5.639 -2.194 1.00 0.00 O ATOM 401 CB ASN A 26 8.295 -7.092 -3.141 1.00 0.00 C ATOM 402 CG ASN A 26 7.971 -8.517 -2.748 1.00 0.00 C ATOM 403 OD1 ASN A 26 8.840 -9.385 -2.742 1.00 0.00 O ATOM 404 ND2 ASN A 26 6.716 -8.770 -2.421 1.00 0.00 N ATOM 0 H ASN A 26 6.859 -5.430 -1.986 1.00 0.00 H new ATOM 0 HA ASN A 26 9.139 -6.922 -1.183 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.406 -6.627 -3.567 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.055 -7.100 -3.922 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.440 -9.714 -2.151 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.024 -8.021 -2.438 1.00 0.00 H new ATOM 411 N TRP A 27 9.556 -4.241 -3.036 1.00 0.00 N ATOM 412 CA TRP A 27 10.500 -3.224 -3.462 1.00 0.00 C ATOM 413 C TRP A 27 11.155 -2.583 -2.242 1.00 0.00 C ATOM 414 O TRP A 27 12.378 -2.458 -2.169 1.00 0.00 O ATOM 415 CB TRP A 27 9.761 -2.176 -4.295 1.00 0.00 C ATOM 416 CG TRP A 27 10.638 -1.105 -4.859 1.00 0.00 C ATOM 417 CD1 TRP A 27 11.340 -1.143 -6.028 1.00 0.00 C ATOM 418 CD2 TRP A 27 10.895 0.170 -4.276 1.00 0.00 C ATOM 419 NE1 TRP A 27 12.014 0.040 -6.209 1.00 0.00 N ATOM 420 CE2 TRP A 27 11.761 0.859 -5.141 1.00 0.00 C ATOM 421 CE3 TRP A 27 10.477 0.789 -3.101 1.00 0.00 C ATOM 422 CZ2 TRP A 27 12.212 2.146 -4.868 1.00 0.00 C ATOM 423 CZ3 TRP A 27 10.923 2.062 -2.828 1.00 0.00 C ATOM 424 CH2 TRP A 27 11.784 2.730 -3.706 1.00 0.00 C ATOM 0 H TRP A 27 8.584 -4.023 -3.257 1.00 0.00 H new ATOM 0 HA TRP A 27 11.283 -3.674 -4.072 1.00 0.00 H new ATOM 0 HB2 TRP A 27 9.247 -2.678 -5.115 1.00 0.00 H new ATOM 0 HB3 TRP A 27 8.994 -1.712 -3.675 1.00 0.00 H new ATOM 0 HD1 TRP A 27 11.362 -1.980 -6.710 1.00 0.00 H new ATOM 0 HE1 TRP A 27 12.606 0.271 -7.007 1.00 0.00 H new ATOM 0 HE3 TRP A 27 9.815 0.280 -2.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 12.874 2.664 -5.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 10.603 2.554 -1.921 1.00 0.00 H new ATOM 0 HH2 TRP A 27 12.118 3.728 -3.462 1.00 0.00 H new ATOM 435 N MET A 28 10.323 -2.199 -1.275 1.00 0.00 N ATOM 436 CA MET A 28 10.794 -1.601 -0.029 1.00 0.00 C ATOM 437 C MET A 28 11.671 -2.569 0.763 1.00 0.00 C ATOM 438 O MET A 28 12.368 -2.164 1.693 1.00 0.00 O ATOM 439 CB MET A 28 9.610 -1.176 0.838 1.00 0.00 C ATOM 440 CG MET A 28 8.780 -0.058 0.237 1.00 0.00 C ATOM 441 SD MET A 28 7.139 0.047 0.969 1.00 0.00 S ATOM 442 CE MET A 28 6.698 1.717 0.515 1.00 0.00 C ATOM 0 H MET A 28 9.309 -2.293 -1.333 1.00 0.00 H new ATOM 0 HA MET A 28 11.391 -0.728 -0.294 1.00 0.00 H new ATOM 0 HB2 MET A 28 8.968 -2.040 1.009 1.00 0.00 H new ATOM 0 HB3 MET A 28 9.981 -0.857 1.812 1.00 0.00 H new ATOM 0 HG2 MET A 28 9.298 0.891 0.376 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.686 -0.216 -0.837 1.00 0.00 H new ATOM 0 HE1 MET A 28 5.616 1.792 0.411 1.00 0.00 H new ATOM 0 HE2 MET A 28 7.036 2.406 1.289 1.00 0.00 H new ATOM 0 HE3 MET A 28 7.172 1.974 -0.432 1.00 0.00 H new ATOM 452 N GLU A 29 11.602 -3.848 0.426 1.00 0.00 N ATOM 453 CA GLU A 29 12.461 -4.846 1.050 1.00 0.00 C ATOM 454 C GLU A 29 13.807 -4.912 0.338 1.00 0.00 C ATOM 455 O GLU A 29 14.835 -4.548 0.908 1.00 0.00 O ATOM 456 CB GLU A 29 11.799 -6.229 1.035 1.00 0.00 C ATOM 457 CG GLU A 29 10.705 -6.401 2.076 1.00 0.00 C ATOM 458 CD GLU A 29 11.240 -6.475 3.488 1.00 0.00 C ATOM 459 OE1 GLU A 29 12.008 -5.578 3.889 1.00 0.00 O ATOM 460 OE2 GLU A 29 10.884 -7.421 4.214 1.00 0.00 O ATOM 0 H GLU A 29 10.961 -4.220 -0.275 1.00 0.00 H new ATOM 0 HA GLU A 29 12.619 -4.548 2.086 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.377 -6.408 0.046 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.564 -6.989 1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.006 -5.568 2.001 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.143 -7.309 1.858 1.00 0.00 H new ATOM 467 N SER A 30 13.788 -5.341 -0.921 1.00 0.00 N ATOM 468 CA SER A 30 15.015 -5.608 -1.662 1.00 0.00 C ATOM 469 C SER A 30 15.876 -4.354 -1.823 1.00 0.00 C ATOM 470 O SER A 30 17.096 -4.408 -1.640 1.00 0.00 O ATOM 471 CB SER A 30 14.675 -6.208 -3.026 1.00 0.00 C ATOM 472 OG SER A 30 13.825 -7.336 -2.877 1.00 0.00 O ATOM 0 H SER A 30 12.933 -5.511 -1.450 1.00 0.00 H new ATOM 0 HA SER A 30 15.603 -6.324 -1.088 1.00 0.00 H new ATOM 0 HB2 SER A 30 14.187 -5.458 -3.648 1.00 0.00 H new ATOM 0 HB3 SER A 30 15.591 -6.501 -3.539 1.00 0.00 H new ATOM 0 HG SER A 30 13.616 -7.707 -3.760 1.00 0.00 H new ATOM 478 N ALA A 31 15.248 -3.229 -2.144 1.00 0.00 N ATOM 479 CA ALA A 31 15.977 -1.980 -2.339 1.00 0.00 C ATOM 480 C ALA A 31 16.582 -1.489 -1.031 1.00 0.00 C ATOM 481 O ALA A 31 17.753 -1.122 -0.979 1.00 0.00 O ATOM 482 CB ALA A 31 15.070 -0.916 -2.931 1.00 0.00 C ATOM 0 H ALA A 31 14.239 -3.155 -2.275 1.00 0.00 H new ATOM 0 HA ALA A 31 16.789 -2.174 -3.039 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.633 0.007 -3.068 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.691 -1.256 -3.895 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.234 -0.734 -2.256 1.00 0.00 H new ATOM 488 N MET A 32 15.783 -1.506 0.029 1.00 0.00 N ATOM 489 CA MET A 32 16.230 -1.040 1.338 1.00 0.00 C ATOM 490 C MET A 32 17.351 -1.928 1.870 1.00 0.00 C ATOM 491 O MET A 32 18.294 -1.446 2.498 1.00 0.00 O ATOM 492 CB MET A 32 15.053 -1.021 2.318 1.00 0.00 C ATOM 493 CG MET A 32 15.456 -0.896 3.779 1.00 0.00 C ATOM 494 SD MET A 32 14.038 -0.903 4.899 1.00 0.00 S ATOM 495 CE MET A 32 12.955 0.261 4.074 1.00 0.00 C ATOM 0 H MET A 32 14.819 -1.838 0.008 1.00 0.00 H new ATOM 0 HA MET A 32 16.618 -0.027 1.234 1.00 0.00 H new ATOM 0 HB2 MET A 32 14.396 -0.190 2.062 1.00 0.00 H new ATOM 0 HB3 MET A 32 14.474 -1.936 2.190 1.00 0.00 H new ATOM 0 HG2 MET A 32 16.123 -1.718 4.039 1.00 0.00 H new ATOM 0 HG3 MET A 32 16.019 0.027 3.918 1.00 0.00 H new ATOM 0 HE1 MET A 32 12.241 0.665 4.791 1.00 0.00 H new ATOM 0 HE2 MET A 32 13.547 1.074 3.655 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.417 -0.247 3.273 1.00 0.00 H new ATOM 505 N GLU A 33 17.250 -3.219 1.592 1.00 0.00 N ATOM 506 CA GLU A 33 18.233 -4.184 2.043 1.00 0.00 C ATOM 507 C GLU A 33 19.567 -3.949 1.342 1.00 0.00 C ATOM 508 O GLU A 33 20.633 -4.066 1.951 1.00 0.00 O ATOM 509 CB GLU A 33 17.714 -5.599 1.773 1.00 0.00 C ATOM 510 CG GLU A 33 18.653 -6.707 2.219 1.00 0.00 C ATOM 511 CD GLU A 33 19.104 -6.563 3.660 1.00 0.00 C ATOM 512 OE1 GLU A 33 18.253 -6.334 4.546 1.00 0.00 O ATOM 513 OE2 GLU A 33 20.319 -6.685 3.915 1.00 0.00 O ATOM 0 H GLU A 33 16.486 -3.623 1.049 1.00 0.00 H new ATOM 0 HA GLU A 33 18.394 -4.066 3.115 1.00 0.00 H new ATOM 0 HB2 GLU A 33 16.757 -5.725 2.279 1.00 0.00 H new ATOM 0 HB3 GLU A 33 17.526 -5.706 0.705 1.00 0.00 H new ATOM 0 HG2 GLU A 33 18.155 -7.669 2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 33 19.529 -6.716 1.570 1.00 0.00 H new ATOM 520 N ASP A 34 19.504 -3.589 0.065 1.00 0.00 N ATOM 521 CA ASP A 34 20.713 -3.335 -0.708 1.00 0.00 C ATOM 522 C ASP A 34 21.279 -1.965 -0.380 1.00 0.00 C ATOM 523 O ASP A 34 22.492 -1.764 -0.362 1.00 0.00 O ATOM 524 CB ASP A 34 20.423 -3.428 -2.206 1.00 0.00 C ATOM 525 CG ASP A 34 21.442 -4.270 -2.942 1.00 0.00 C ATOM 526 OD1 ASP A 34 22.650 -3.973 -2.856 1.00 0.00 O ATOM 527 OD2 ASP A 34 21.036 -5.245 -3.612 1.00 0.00 O ATOM 0 H ASP A 34 18.634 -3.467 -0.454 1.00 0.00 H new ATOM 0 HA ASP A 34 21.449 -4.094 -0.442 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.430 -3.852 -2.355 1.00 0.00 H new ATOM 0 HB3 ASP A 34 20.408 -2.425 -2.633 1.00 0.00 H new ATOM 532 N LEU A 35 20.383 -1.024 -0.108 1.00 0.00 N ATOM 533 CA LEU A 35 20.783 0.339 0.201 1.00 0.00 C ATOM 534 C LEU A 35 21.461 0.408 1.559 1.00 0.00 C ATOM 535 O LEU A 35 22.424 1.146 1.747 1.00 0.00 O ATOM 536 CB LEU A 35 19.569 1.268 0.184 1.00 0.00 C ATOM 537 CG LEU A 35 19.520 2.253 -0.986 1.00 0.00 C ATOM 538 CD1 LEU A 35 19.312 1.509 -2.293 1.00 0.00 C ATOM 539 CD2 LEU A 35 18.419 3.280 -0.774 1.00 0.00 C ATOM 0 H LEU A 35 19.375 -1.182 -0.096 1.00 0.00 H new ATOM 0 HA LEU A 35 21.492 0.663 -0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 35 18.665 0.659 0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 35 19.551 1.834 1.116 1.00 0.00 H new ATOM 0 HG LEU A 35 20.473 2.780 -1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 35 19.279 2.222 -3.116 1.00 0.00 H new ATOM 0 HD12 LEU A 35 20.135 0.812 -2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 35 18.372 0.958 -2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 35 18.400 3.972 -1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 35 17.457 2.772 -0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 35 18.610 3.833 0.146 1.00 0.00 H new ATOM 551 N GLN A 36 20.948 -0.371 2.499 1.00 0.00 N ATOM 552 CA GLN A 36 21.472 -0.391 3.858 1.00 0.00 C ATOM 553 C GLN A 36 22.840 -1.054 3.928 1.00 0.00 C ATOM 554 O GLN A 36 23.717 -0.613 4.676 1.00 0.00 O ATOM 555 CB GLN A 36 20.514 -1.136 4.778 1.00 0.00 C ATOM 556 CG GLN A 36 20.288 -0.441 6.104 1.00 0.00 C ATOM 557 CD GLN A 36 18.819 -0.256 6.407 1.00 0.00 C ATOM 558 OE1 GLN A 36 18.415 0.726 7.023 1.00 0.00 O ATOM 559 NE2 GLN A 36 18.009 -1.206 5.981 1.00 0.00 N ATOM 0 H GLN A 36 20.163 -1.003 2.344 1.00 0.00 H new ATOM 0 HA GLN A 36 21.574 0.645 4.180 1.00 0.00 H new ATOM 0 HB2 GLN A 36 19.556 -1.256 4.272 1.00 0.00 H new ATOM 0 HB3 GLN A 36 20.905 -2.137 4.963 1.00 0.00 H new ATOM 0 HG2 GLN A 36 20.751 -1.023 6.901 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.780 0.531 6.091 1.00 0.00 H new ATOM 0 HE21 GLN A 36 18.385 -2.006 5.472 1.00 0.00 H new ATOM 0 HE22 GLN A 36 17.007 -1.140 6.160 1.00 0.00 H new ATOM 568 N ASP A 37 23.019 -2.119 3.162 1.00 0.00 N ATOM 569 CA ASP A 37 24.229 -2.924 3.255 1.00 0.00 C ATOM 570 C ASP A 37 25.422 -2.210 2.646 1.00 0.00 C ATOM 571 O ASP A 37 25.290 -1.496 1.651 1.00 0.00 O ATOM 572 CB ASP A 37 24.041 -4.280 2.580 1.00 0.00 C ATOM 573 CG ASP A 37 24.700 -5.388 3.370 1.00 0.00 C ATOM 574 OD1 ASP A 37 24.411 -5.506 4.579 1.00 0.00 O ATOM 575 OD2 ASP A 37 25.515 -6.139 2.796 1.00 0.00 O ATOM 0 H ASP A 37 22.344 -2.446 2.470 1.00 0.00 H new ATOM 0 HA ASP A 37 24.425 -3.082 4.316 1.00 0.00 H new ATOM 0 HB2 ASP A 37 22.977 -4.491 2.474 1.00 0.00 H new ATOM 0 HB3 ASP A 37 24.461 -4.249 1.575 1.00 0.00 H new ATOM 580 N MET A 38 26.583 -2.399 3.257 1.00 0.00 N ATOM 581 CA MET A 38 27.814 -1.815 2.756 1.00 0.00 C ATOM 582 C MET A 38 28.222 -2.499 1.464 1.00 0.00 C ATOM 583 O MET A 38 28.314 -3.725 1.396 1.00 0.00 O ATOM 584 CB MET A 38 28.932 -1.936 3.794 1.00 0.00 C ATOM 585 CG MET A 38 30.308 -1.555 3.265 1.00 0.00 C ATOM 586 SD MET A 38 30.397 0.173 2.755 1.00 0.00 S ATOM 587 CE MET A 38 32.168 0.391 2.610 1.00 0.00 C ATOM 0 H MET A 38 26.696 -2.955 4.104 1.00 0.00 H new ATOM 0 HA MET A 38 27.642 -0.757 2.561 1.00 0.00 H new ATOM 0 HB2 MET A 38 28.693 -1.301 4.647 1.00 0.00 H new ATOM 0 HB3 MET A 38 28.965 -2.962 4.160 1.00 0.00 H new ATOM 0 HG2 MET A 38 31.055 -1.742 4.037 1.00 0.00 H new ATOM 0 HG3 MET A 38 30.558 -2.194 2.418 1.00 0.00 H new ATOM 0 HE1 MET A 38 32.385 1.414 2.301 1.00 0.00 H new ATOM 0 HE2 MET A 38 32.639 0.196 3.574 1.00 0.00 H new ATOM 0 HE3 MET A 38 32.560 -0.304 1.867 1.00 0.00 H new ATOM 597 N PHE A 39 28.460 -1.701 0.447 1.00 0.00 N ATOM 598 CA PHE A 39 28.826 -2.213 -0.860 1.00 0.00 C ATOM 599 C PHE A 39 30.328 -2.440 -0.933 1.00 0.00 C ATOM 600 O PHE A 39 31.118 -1.606 -0.488 1.00 0.00 O ATOM 601 CB PHE A 39 28.377 -1.247 -1.967 1.00 0.00 C ATOM 602 CG PHE A 39 28.916 0.156 -1.826 1.00 0.00 C ATOM 603 CD1 PHE A 39 28.279 1.080 -1.015 1.00 0.00 C ATOM 604 CD2 PHE A 39 30.062 0.547 -2.505 1.00 0.00 C ATOM 605 CE1 PHE A 39 28.770 2.362 -0.882 1.00 0.00 C ATOM 606 CE2 PHE A 39 30.558 1.829 -2.376 1.00 0.00 C ATOM 607 CZ PHE A 39 29.912 2.738 -1.563 1.00 0.00 C ATOM 0 H PHE A 39 28.406 -0.684 0.499 1.00 0.00 H new ATOM 0 HA PHE A 39 28.319 -3.166 -1.012 1.00 0.00 H new ATOM 0 HB2 PHE A 39 28.689 -1.648 -2.931 1.00 0.00 H new ATOM 0 HB3 PHE A 39 27.288 -1.206 -1.977 1.00 0.00 H new ATOM 0 HD1 PHE A 39 27.386 0.793 -0.480 1.00 0.00 H new ATOM 0 HD2 PHE A 39 30.572 -0.160 -3.142 1.00 0.00 H new ATOM 0 HE1 PHE A 39 28.262 3.072 -0.246 1.00 0.00 H new ATOM 0 HE2 PHE A 39 31.450 2.120 -2.911 1.00 0.00 H new ATOM 0 HZ PHE A 39 30.298 3.741 -1.459 1.00 0.00 H new ATOM 617 N ILE A 40 30.721 -3.578 -1.464 1.00 0.00 N ATOM 618 CA ILE A 40 32.130 -3.858 -1.655 1.00 0.00 C ATOM 619 C ILE A 40 32.497 -3.710 -3.128 1.00 0.00 C ATOM 620 O ILE A 40 31.839 -4.258 -4.018 1.00 0.00 O ATOM 621 CB ILE A 40 32.539 -5.253 -1.109 1.00 0.00 C ATOM 622 CG1 ILE A 40 34.042 -5.289 -0.808 1.00 0.00 C ATOM 623 CG2 ILE A 40 32.168 -6.360 -2.082 1.00 0.00 C ATOM 624 CD1 ILE A 40 34.439 -4.466 0.398 1.00 0.00 C ATOM 0 H ILE A 40 30.091 -4.320 -1.769 1.00 0.00 H new ATOM 0 HA ILE A 40 32.693 -3.127 -1.075 1.00 0.00 H new ATOM 0 HB ILE A 40 31.989 -5.423 -0.184 1.00 0.00 H new ATOM 0 HG12 ILE A 40 34.347 -6.323 -0.648 1.00 0.00 H new ATOM 0 HG13 ILE A 40 34.587 -4.927 -1.680 1.00 0.00 H new ATOM 0 HG21 ILE A 40 32.468 -7.323 -1.669 1.00 0.00 H new ATOM 0 HG22 ILE A 40 31.090 -6.355 -2.245 1.00 0.00 H new ATOM 0 HG23 ILE A 40 32.679 -6.197 -3.031 1.00 0.00 H new ATOM 0 HD11 ILE A 40 35.516 -4.539 0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 40 34.166 -3.424 0.233 1.00 0.00 H new ATOM 0 HD13 ILE A 40 33.922 -4.842 1.281 1.00 0.00 H new ATOM 636 N VAL A 41 33.516 -2.913 -3.381 1.00 0.00 N ATOM 637 CA VAL A 41 33.960 -2.652 -4.736 1.00 0.00 C ATOM 638 C VAL A 41 35.449 -2.935 -4.873 1.00 0.00 C ATOM 639 O VAL A 41 36.208 -2.799 -3.915 1.00 0.00 O ATOM 640 CB VAL A 41 33.659 -1.200 -5.171 1.00 0.00 C ATOM 641 CG1 VAL A 41 32.168 -0.923 -5.120 1.00 0.00 C ATOM 642 CG2 VAL A 41 34.419 -0.205 -4.310 1.00 0.00 C ATOM 0 H VAL A 41 34.055 -2.432 -2.661 1.00 0.00 H new ATOM 0 HA VAL A 41 33.403 -3.321 -5.393 1.00 0.00 H new ATOM 0 HB VAL A 41 33.995 -1.081 -6.201 1.00 0.00 H new ATOM 0 HG11 VAL A 41 31.978 0.105 -5.430 1.00 0.00 H new ATOM 0 HG12 VAL A 41 31.648 -1.607 -5.791 1.00 0.00 H new ATOM 0 HG13 VAL A 41 31.806 -1.068 -4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 41 34.189 0.809 -4.637 1.00 0.00 H new ATOM 0 HG22 VAL A 41 34.124 -0.326 -3.268 1.00 0.00 H new ATOM 0 HG23 VAL A 41 35.490 -0.384 -4.407 1.00 0.00 H new ATOM 652 N HIS A 42 35.848 -3.358 -6.055 1.00 0.00 N ATOM 653 CA HIS A 42 37.246 -3.657 -6.338 1.00 0.00 C ATOM 654 C HIS A 42 37.716 -2.848 -7.537 1.00 0.00 C ATOM 655 O HIS A 42 38.827 -2.318 -7.553 1.00 0.00 O ATOM 656 CB HIS A 42 37.434 -5.149 -6.635 1.00 0.00 C ATOM 657 CG HIS A 42 36.689 -6.062 -5.707 1.00 0.00 C ATOM 658 ND1 HIS A 42 35.388 -6.472 -5.931 1.00 0.00 N ATOM 659 CD2 HIS A 42 37.070 -6.653 -4.550 1.00 0.00 C ATOM 660 CE1 HIS A 42 35.008 -7.272 -4.952 1.00 0.00 C ATOM 661 NE2 HIS A 42 36.009 -7.399 -4.102 1.00 0.00 N ATOM 0 H HIS A 42 35.220 -3.505 -6.846 1.00 0.00 H new ATOM 0 HA HIS A 42 37.834 -3.393 -5.459 1.00 0.00 H new ATOM 0 HB2 HIS A 42 37.112 -5.347 -7.657 1.00 0.00 H new ATOM 0 HB3 HIS A 42 38.497 -5.387 -6.584 1.00 0.00 H new ATOM 0 HD1 HIS A 42 34.812 -6.199 -6.727 1.00 0.00 H new ATOM 0 HD2 HIS A 42 38.032 -6.555 -4.068 1.00 0.00 H new ATOM 0 HE1 HIS A 42 34.040 -7.743 -4.862 1.00 0.00 H new ATOM 670 N THR A 43 36.850 -2.751 -8.532 1.00 0.00 N ATOM 671 CA THR A 43 37.166 -2.073 -9.772 1.00 0.00 C ATOM 672 C THR A 43 36.322 -0.814 -9.921 1.00 0.00 C ATOM 673 O THR A 43 35.340 -0.624 -9.195 1.00 0.00 O ATOM 674 CB THR A 43 36.919 -2.998 -10.976 1.00 0.00 C ATOM 675 OG1 THR A 43 35.681 -3.702 -10.804 1.00 0.00 O ATOM 676 CG2 THR A 43 38.053 -3.999 -11.125 1.00 0.00 C ATOM 0 H THR A 43 35.908 -3.141 -8.500 1.00 0.00 H new ATOM 0 HA THR A 43 38.221 -1.798 -9.745 1.00 0.00 H new ATOM 0 HB THR A 43 36.870 -2.385 -11.876 1.00 0.00 H new ATOM 0 HG1 THR A 43 35.528 -4.288 -11.574 1.00 0.00 H new ATOM 0 HG21 THR A 43 37.859 -4.644 -11.982 1.00 0.00 H new ATOM 0 HG22 THR A 43 38.991 -3.466 -11.277 1.00 0.00 H new ATOM 0 HG23 THR A 43 38.123 -4.606 -10.223 1.00 0.00 H new ATOM 684 N ILE A 44 36.701 0.039 -10.863 1.00 0.00 N ATOM 685 CA ILE A 44 35.981 1.273 -11.109 1.00 0.00 C ATOM 686 C ILE A 44 34.572 0.982 -11.624 1.00 0.00 C ATOM 687 O ILE A 44 33.612 1.629 -11.221 1.00 0.00 O ATOM 688 CB ILE A 44 36.750 2.181 -12.105 1.00 0.00 C ATOM 689 CG1 ILE A 44 35.935 3.423 -12.452 1.00 0.00 C ATOM 690 CG2 ILE A 44 37.121 1.427 -13.372 1.00 0.00 C ATOM 691 CD1 ILE A 44 35.442 4.170 -11.240 1.00 0.00 C ATOM 0 H ILE A 44 37.508 -0.106 -11.470 1.00 0.00 H new ATOM 0 HA ILE A 44 35.899 1.807 -10.162 1.00 0.00 H new ATOM 0 HB ILE A 44 37.671 2.494 -11.614 1.00 0.00 H new ATOM 0 HG12 ILE A 44 36.545 4.092 -13.059 1.00 0.00 H new ATOM 0 HG13 ILE A 44 35.081 3.130 -13.062 1.00 0.00 H new ATOM 0 HG21 ILE A 44 37.658 2.093 -14.047 1.00 0.00 H new ATOM 0 HG22 ILE A 44 37.756 0.578 -13.118 1.00 0.00 H new ATOM 0 HG23 ILE A 44 36.215 1.069 -13.861 1.00 0.00 H new ATOM 0 HD11 ILE A 44 34.870 5.042 -11.558 1.00 0.00 H new ATOM 0 HD12 ILE A 44 34.806 3.516 -10.644 1.00 0.00 H new ATOM 0 HD13 ILE A 44 36.293 4.493 -10.641 1.00 0.00 H new ATOM 703 N GLU A 45 34.462 -0.020 -12.482 1.00 0.00 N ATOM 704 CA GLU A 45 33.197 -0.377 -13.104 1.00 0.00 C ATOM 705 C GLU A 45 32.124 -0.718 -12.069 1.00 0.00 C ATOM 706 O GLU A 45 30.957 -0.366 -12.243 1.00 0.00 O ATOM 707 CB GLU A 45 33.407 -1.552 -14.055 1.00 0.00 C ATOM 708 CG GLU A 45 33.724 -1.132 -15.482 1.00 0.00 C ATOM 709 CD GLU A 45 32.550 -0.478 -16.185 1.00 0.00 C ATOM 710 OE1 GLU A 45 32.113 0.606 -15.749 1.00 0.00 O ATOM 711 OE2 GLU A 45 32.068 -1.042 -17.191 1.00 0.00 O ATOM 0 H GLU A 45 35.246 -0.608 -12.766 1.00 0.00 H new ATOM 0 HA GLU A 45 32.842 0.490 -13.662 1.00 0.00 H new ATOM 0 HB2 GLU A 45 34.220 -2.172 -13.679 1.00 0.00 H new ATOM 0 HB3 GLU A 45 32.510 -2.171 -14.058 1.00 0.00 H new ATOM 0 HG2 GLU A 45 34.565 -0.439 -15.472 1.00 0.00 H new ATOM 0 HG3 GLU A 45 34.038 -2.007 -16.051 1.00 0.00 H new ATOM 718 N GLU A 46 32.512 -1.401 -10.995 1.00 0.00 N ATOM 719 CA GLU A 46 31.574 -1.740 -9.929 1.00 0.00 C ATOM 720 C GLU A 46 31.025 -0.489 -9.275 1.00 0.00 C ATOM 721 O GLU A 46 29.810 -0.317 -9.178 1.00 0.00 O ATOM 722 CB GLU A 46 32.240 -2.628 -8.877 1.00 0.00 C ATOM 723 CG GLU A 46 32.682 -3.980 -9.406 1.00 0.00 C ATOM 724 CD GLU A 46 33.604 -4.701 -8.446 1.00 0.00 C ATOM 725 OE1 GLU A 46 34.740 -4.240 -8.270 1.00 0.00 O ATOM 726 OE2 GLU A 46 33.206 -5.732 -7.866 1.00 0.00 O ATOM 0 H GLU A 46 33.465 -1.729 -10.840 1.00 0.00 H new ATOM 0 HA GLU A 46 30.748 -2.291 -10.379 1.00 0.00 H new ATOM 0 HB2 GLU A 46 33.107 -2.106 -8.471 1.00 0.00 H new ATOM 0 HB3 GLU A 46 31.545 -2.781 -8.052 1.00 0.00 H new ATOM 0 HG2 GLU A 46 31.804 -4.598 -9.596 1.00 0.00 H new ATOM 0 HG3 GLU A 46 33.190 -3.845 -10.361 1.00 0.00 H new ATOM 733 N ILE A 47 31.909 0.396 -8.856 1.00 0.00 N ATOM 734 CA ILE A 47 31.493 1.613 -8.199 1.00 0.00 C ATOM 735 C ILE A 47 30.773 2.520 -9.184 1.00 0.00 C ATOM 736 O ILE A 47 29.880 3.268 -8.810 1.00 0.00 O ATOM 737 CB ILE A 47 32.688 2.342 -7.545 1.00 0.00 C ATOM 738 CG1 ILE A 47 32.283 2.872 -6.177 1.00 0.00 C ATOM 739 CG2 ILE A 47 33.221 3.475 -8.417 1.00 0.00 C ATOM 740 CD1 ILE A 47 33.461 3.304 -5.345 1.00 0.00 C ATOM 0 H ILE A 47 32.918 0.292 -8.960 1.00 0.00 H new ATOM 0 HA ILE A 47 30.801 1.347 -7.400 1.00 0.00 H new ATOM 0 HB ILE A 47 33.495 1.618 -7.433 1.00 0.00 H new ATOM 0 HG12 ILE A 47 31.606 3.717 -6.306 1.00 0.00 H new ATOM 0 HG13 ILE A 47 31.731 2.099 -5.642 1.00 0.00 H new ATOM 0 HG21 ILE A 47 34.060 3.957 -7.915 1.00 0.00 H new ATOM 0 HG22 ILE A 47 33.554 3.072 -9.374 1.00 0.00 H new ATOM 0 HG23 ILE A 47 32.431 4.206 -8.586 1.00 0.00 H new ATOM 0 HD11 ILE A 47 33.110 3.672 -4.381 1.00 0.00 H new ATOM 0 HD12 ILE A 47 34.127 2.455 -5.189 1.00 0.00 H new ATOM 0 HD13 ILE A 47 34.000 4.098 -5.862 1.00 0.00 H new ATOM 752 N GLU A 48 31.146 2.411 -10.451 1.00 0.00 N ATOM 753 CA GLU A 48 30.540 3.210 -11.501 1.00 0.00 C ATOM 754 C GLU A 48 29.120 2.736 -11.754 1.00 0.00 C ATOM 755 O GLU A 48 28.265 3.512 -12.175 1.00 0.00 O ATOM 756 CB GLU A 48 31.366 3.113 -12.781 1.00 0.00 C ATOM 757 CG GLU A 48 32.183 4.358 -13.070 1.00 0.00 C ATOM 758 CD GLU A 48 31.790 5.004 -14.375 1.00 0.00 C ATOM 759 OE1 GLU A 48 32.331 4.602 -15.426 1.00 0.00 O ATOM 760 OE2 GLU A 48 30.926 5.906 -14.361 1.00 0.00 O ATOM 0 H GLU A 48 31.871 1.771 -10.776 1.00 0.00 H new ATOM 0 HA GLU A 48 30.514 4.252 -11.184 1.00 0.00 H new ATOM 0 HB2 GLU A 48 32.037 2.257 -12.707 1.00 0.00 H new ATOM 0 HB3 GLU A 48 30.698 2.923 -13.621 1.00 0.00 H new ATOM 0 HG2 GLU A 48 32.052 5.073 -12.258 1.00 0.00 H new ATOM 0 HG3 GLU A 48 33.241 4.098 -13.099 1.00 0.00 H new ATOM 767 N GLY A 49 28.887 1.460 -11.478 1.00 0.00 N ATOM 768 CA GLY A 49 27.559 0.895 -11.624 1.00 0.00 C ATOM 769 C GLY A 49 26.752 1.122 -10.373 1.00 0.00 C ATOM 770 O GLY A 49 25.541 1.344 -10.423 1.00 0.00 O ATOM 0 H GLY A 49 29.597 0.803 -11.154 1.00 0.00 H new ATOM 0 HA2 GLY A 49 27.055 1.350 -12.477 1.00 0.00 H new ATOM 0 HA3 GLY A 49 27.632 -0.173 -11.829 1.00 0.00 H new ATOM 774 N LEU A 50 27.444 1.057 -9.245 1.00 0.00 N ATOM 775 CA LEU A 50 26.874 1.407 -7.949 1.00 0.00 C ATOM 776 C LEU A 50 26.156 2.756 -8.004 1.00 0.00 C ATOM 777 O LEU A 50 25.037 2.894 -7.509 1.00 0.00 O ATOM 778 CB LEU A 50 27.986 1.467 -6.900 1.00 0.00 C ATOM 779 CG LEU A 50 27.924 0.419 -5.787 1.00 0.00 C ATOM 780 CD1 LEU A 50 26.501 -0.068 -5.561 1.00 0.00 C ATOM 781 CD2 LEU A 50 28.847 -0.752 -6.104 1.00 0.00 C ATOM 0 H LEU A 50 28.419 0.760 -9.201 1.00 0.00 H new ATOM 0 HA LEU A 50 26.146 0.642 -7.681 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.944 1.368 -7.411 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.970 2.455 -6.441 1.00 0.00 H new ATOM 0 HG LEU A 50 28.263 0.892 -4.865 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.493 -0.811 -4.764 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.869 0.774 -5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 50 26.120 -0.516 -6.479 1.00 0.00 H new ATOM 0 HD21 LEU A 50 28.790 -1.488 -5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 50 28.540 -1.214 -7.042 1.00 0.00 H new ATOM 0 HD23 LEU A 50 29.872 -0.393 -6.195 1.00 0.00 H new ATOM 793 N ILE A 51 26.809 3.749 -8.604 1.00 0.00 N ATOM 794 CA ILE A 51 26.217 5.086 -8.726 1.00 0.00 C ATOM 795 C ILE A 51 24.996 5.068 -9.644 1.00 0.00 C ATOM 796 O ILE A 51 24.021 5.777 -9.399 1.00 0.00 O ATOM 797 CB ILE A 51 27.211 6.146 -9.258 1.00 0.00 C ATOM 798 CG1 ILE A 51 28.642 5.846 -8.817 1.00 0.00 C ATOM 799 CG2 ILE A 51 26.794 7.535 -8.794 1.00 0.00 C ATOM 800 CD1 ILE A 51 28.875 5.968 -7.324 1.00 0.00 C ATOM 0 H ILE A 51 27.740 3.658 -9.011 1.00 0.00 H new ATOM 0 HA ILE A 51 25.927 5.366 -7.713 1.00 0.00 H new ATOM 0 HB ILE A 51 27.187 6.110 -10.347 1.00 0.00 H new ATOM 0 HG12 ILE A 51 28.902 4.835 -9.132 1.00 0.00 H new ATOM 0 HG13 ILE A 51 29.319 6.525 -9.335 1.00 0.00 H new ATOM 0 HG21 ILE A 51 27.500 8.273 -9.174 1.00 0.00 H new ATOM 0 HG22 ILE A 51 25.796 7.760 -9.171 1.00 0.00 H new ATOM 0 HG23 ILE A 51 26.786 7.568 -7.705 1.00 0.00 H new ATOM 0 HD11 ILE A 51 29.916 5.738 -7.098 1.00 0.00 H new ATOM 0 HD12 ILE A 51 28.650 6.985 -7.003 1.00 0.00 H new ATOM 0 HD13 ILE A 51 28.227 5.269 -6.796 1.00 0.00 H new ATOM 812 N SER A 52 25.048 4.255 -10.695 1.00 0.00 N ATOM 813 CA SER A 52 23.937 4.151 -11.637 1.00 0.00 C ATOM 814 C SER A 52 22.694 3.587 -10.949 1.00 0.00 C ATOM 815 O SER A 52 21.563 3.936 -11.295 1.00 0.00 O ATOM 816 CB SER A 52 24.331 3.280 -12.829 1.00 0.00 C ATOM 817 OG SER A 52 25.711 3.423 -13.125 1.00 0.00 O ATOM 0 H SER A 52 25.846 3.659 -10.916 1.00 0.00 H new ATOM 0 HA SER A 52 23.700 5.151 -12.000 1.00 0.00 H new ATOM 0 HB2 SER A 52 24.108 2.236 -12.611 1.00 0.00 H new ATOM 0 HB3 SER A 52 23.737 3.558 -13.700 1.00 0.00 H new ATOM 0 HG SER A 52 25.942 2.856 -13.890 1.00 0.00 H new ATOM 823 N ALA A 53 22.915 2.731 -9.954 1.00 0.00 N ATOM 824 CA ALA A 53 21.824 2.166 -9.166 1.00 0.00 C ATOM 825 C ALA A 53 21.118 3.251 -8.357 1.00 0.00 C ATOM 826 O ALA A 53 19.952 3.113 -7.991 1.00 0.00 O ATOM 827 CB ALA A 53 22.347 1.073 -8.249 1.00 0.00 C ATOM 0 H ALA A 53 23.843 2.413 -9.674 1.00 0.00 H new ATOM 0 HA ALA A 53 21.098 1.729 -9.851 1.00 0.00 H new ATOM 0 HB1 ALA A 53 21.523 0.661 -7.667 1.00 0.00 H new ATOM 0 HB2 ALA A 53 22.800 0.282 -8.847 1.00 0.00 H new ATOM 0 HB3 ALA A 53 23.094 1.491 -7.574 1.00 0.00 H new ATOM 833 N HIS A 54 21.831 4.333 -8.077 1.00 0.00 N ATOM 834 CA HIS A 54 21.248 5.465 -7.372 1.00 0.00 C ATOM 835 C HIS A 54 20.676 6.466 -8.366 1.00 0.00 C ATOM 836 O HIS A 54 19.733 7.191 -8.059 1.00 0.00 O ATOM 837 CB HIS A 54 22.293 6.139 -6.490 1.00 0.00 C ATOM 838 CG HIS A 54 21.887 6.243 -5.052 1.00 0.00 C ATOM 839 ND1 HIS A 54 20.920 5.441 -4.483 1.00 0.00 N ATOM 840 CD2 HIS A 54 22.320 7.060 -4.065 1.00 0.00 C ATOM 841 CE1 HIS A 54 20.780 5.758 -3.210 1.00 0.00 C ATOM 842 NE2 HIS A 54 21.615 6.740 -2.929 1.00 0.00 N ATOM 0 H HIS A 54 22.813 4.450 -8.327 1.00 0.00 H new ATOM 0 HA HIS A 54 20.441 5.099 -6.737 1.00 0.00 H new ATOM 0 HB2 HIS A 54 23.227 5.580 -6.556 1.00 0.00 H new ATOM 0 HB3 HIS A 54 22.492 7.139 -6.876 1.00 0.00 H new ATOM 0 HD2 HIS A 54 23.079 7.823 -4.153 1.00 0.00 H new ATOM 0 HE1 HIS A 54 20.097 5.292 -2.515 1.00 0.00 H new ATOM 0 HE2 HIS A 54 21.720 7.188 -2.019 1.00 0.00 H new ATOM 851 N ASP A 55 21.261 6.490 -9.557 1.00 0.00 N ATOM 852 CA ASP A 55 20.791 7.353 -10.632 1.00 0.00 C ATOM 853 C ASP A 55 19.385 6.954 -11.056 1.00 0.00 C ATOM 854 O ASP A 55 18.485 7.787 -11.121 1.00 0.00 O ATOM 855 CB ASP A 55 21.739 7.259 -11.831 1.00 0.00 C ATOM 856 CG ASP A 55 21.705 8.493 -12.716 1.00 0.00 C ATOM 857 OD1 ASP A 55 21.439 9.598 -12.202 1.00 0.00 O ATOM 858 OD2 ASP A 55 21.966 8.359 -13.929 1.00 0.00 O ATOM 0 H ASP A 55 22.068 5.917 -9.803 1.00 0.00 H new ATOM 0 HA ASP A 55 20.771 8.381 -10.269 1.00 0.00 H new ATOM 0 HB2 ASP A 55 22.756 7.105 -11.471 1.00 0.00 H new ATOM 0 HB3 ASP A 55 21.476 6.385 -12.427 1.00 0.00 H new ATOM 863 N GLN A 56 19.197 5.664 -11.312 1.00 0.00 N ATOM 864 CA GLN A 56 17.890 5.138 -11.691 1.00 0.00 C ATOM 865 C GLN A 56 16.938 5.144 -10.505 1.00 0.00 C ATOM 866 O GLN A 56 15.723 5.079 -10.672 1.00 0.00 O ATOM 867 CB GLN A 56 18.030 3.721 -12.243 1.00 0.00 C ATOM 868 CG GLN A 56 18.562 3.678 -13.664 1.00 0.00 C ATOM 869 CD GLN A 56 17.459 3.752 -14.701 1.00 0.00 C ATOM 870 OE1 GLN A 56 16.276 3.641 -14.382 1.00 0.00 O ATOM 871 NE2 GLN A 56 17.836 3.957 -15.949 1.00 0.00 N ATOM 0 H GLN A 56 19.935 4.961 -11.264 1.00 0.00 H new ATOM 0 HA GLN A 56 17.476 5.782 -12.467 1.00 0.00 H new ATOM 0 HB2 GLN A 56 18.697 3.151 -11.596 1.00 0.00 H new ATOM 0 HB3 GLN A 56 17.058 3.229 -12.212 1.00 0.00 H new ATOM 0 HG2 GLN A 56 19.254 4.507 -13.815 1.00 0.00 H new ATOM 0 HG3 GLN A 56 19.130 2.759 -13.808 1.00 0.00 H new ATOM 0 HE21 GLN A 56 18.827 4.044 -16.175 1.00 0.00 H new ATOM 0 HE22 GLN A 56 17.136 4.029 -16.688 1.00 0.00 H new ATOM 880 N PHE A 57 17.497 5.230 -9.307 1.00 0.00 N ATOM 881 CA PHE A 57 16.698 5.275 -8.092 1.00 0.00 C ATOM 882 C PHE A 57 15.894 6.570 -8.041 1.00 0.00 C ATOM 883 O PHE A 57 14.750 6.590 -7.594 1.00 0.00 O ATOM 884 CB PHE A 57 17.603 5.160 -6.865 1.00 0.00 C ATOM 885 CG PHE A 57 16.931 4.558 -5.667 1.00 0.00 C ATOM 886 CD1 PHE A 57 16.460 3.254 -5.700 1.00 0.00 C ATOM 887 CD2 PHE A 57 16.770 5.295 -4.510 1.00 0.00 C ATOM 888 CE1 PHE A 57 15.839 2.702 -4.597 1.00 0.00 C ATOM 889 CE2 PHE A 57 16.150 4.749 -3.404 1.00 0.00 C ATOM 890 CZ PHE A 57 15.682 3.449 -3.449 1.00 0.00 C ATOM 0 H PHE A 57 18.504 5.270 -9.150 1.00 0.00 H new ATOM 0 HA PHE A 57 16.004 4.435 -8.093 1.00 0.00 H new ATOM 0 HB2 PHE A 57 18.473 4.556 -7.123 1.00 0.00 H new ATOM 0 HB3 PHE A 57 17.970 6.152 -6.603 1.00 0.00 H new ATOM 0 HD1 PHE A 57 16.580 2.665 -6.597 1.00 0.00 H new ATOM 0 HD2 PHE A 57 17.134 6.311 -4.470 1.00 0.00 H new ATOM 0 HE1 PHE A 57 15.476 1.685 -4.634 1.00 0.00 H new ATOM 0 HE2 PHE A 57 16.031 5.336 -2.505 1.00 0.00 H new ATOM 0 HZ PHE A 57 15.194 3.019 -2.586 1.00 0.00 H new ATOM 900 N LYS A 58 16.500 7.644 -8.532 1.00 0.00 N ATOM 901 CA LYS A 58 15.845 8.946 -8.597 1.00 0.00 C ATOM 902 C LYS A 58 14.723 8.942 -9.631 1.00 0.00 C ATOM 903 O LYS A 58 13.901 9.857 -9.675 1.00 0.00 O ATOM 904 CB LYS A 58 16.869 10.029 -8.945 1.00 0.00 C ATOM 905 CG LYS A 58 17.220 10.954 -7.789 1.00 0.00 C ATOM 906 CD LYS A 58 17.559 10.177 -6.529 1.00 0.00 C ATOM 907 CE LYS A 58 16.422 10.231 -5.524 1.00 0.00 C ATOM 908 NZ LYS A 58 16.237 11.599 -4.969 1.00 0.00 N ATOM 0 H LYS A 58 17.453 7.639 -8.894 1.00 0.00 H new ATOM 0 HA LYS A 58 15.411 9.159 -7.620 1.00 0.00 H new ATOM 0 HB2 LYS A 58 17.781 9.549 -9.301 1.00 0.00 H new ATOM 0 HB3 LYS A 58 16.481 10.628 -9.769 1.00 0.00 H new ATOM 0 HG2 LYS A 58 18.067 11.580 -8.069 1.00 0.00 H new ATOM 0 HG3 LYS A 58 16.382 11.622 -7.590 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.771 9.139 -6.785 1.00 0.00 H new ATOM 0 HD3 LYS A 58 18.464 10.586 -6.080 1.00 0.00 H new ATOM 0 HE2 LYS A 58 15.498 9.905 -6.003 1.00 0.00 H new ATOM 0 HE3 LYS A 58 16.623 9.533 -4.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.757 11.538 -4.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.165 12.052 -4.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.660 12.164 -5.624 1.00 0.00 H new ATOM 922 N SER A 59 14.694 7.911 -10.455 1.00 0.00 N ATOM 923 CA SER A 59 13.664 7.784 -11.476 1.00 0.00 C ATOM 924 C SER A 59 12.599 6.771 -11.059 1.00 0.00 C ATOM 925 O SER A 59 11.448 6.854 -11.482 1.00 0.00 O ATOM 926 CB SER A 59 14.287 7.377 -12.810 1.00 0.00 C ATOM 927 OG SER A 59 15.703 7.437 -12.751 1.00 0.00 O ATOM 0 H SER A 59 15.371 7.148 -10.439 1.00 0.00 H new ATOM 0 HA SER A 59 13.182 8.755 -11.592 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.973 6.366 -13.068 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.925 8.035 -13.600 1.00 0.00 H new ATOM 0 HG SER A 59 16.078 7.170 -13.616 1.00 0.00 H new ATOM 933 N THR A 60 12.986 5.817 -10.220 1.00 0.00 N ATOM 934 CA THR A 60 12.045 4.814 -9.736 1.00 0.00 C ATOM 935 C THR A 60 11.246 5.355 -8.555 1.00 0.00 C ATOM 936 O THR A 60 10.099 4.960 -8.331 1.00 0.00 O ATOM 937 CB THR A 60 12.767 3.522 -9.315 1.00 0.00 C ATOM 938 OG1 THR A 60 14.132 3.809 -8.984 1.00 0.00 O ATOM 939 CG2 THR A 60 12.716 2.487 -10.431 1.00 0.00 C ATOM 0 H THR A 60 13.936 5.717 -9.863 1.00 0.00 H new ATOM 0 HA THR A 60 11.367 4.581 -10.557 1.00 0.00 H new ATOM 0 HB THR A 60 12.260 3.116 -8.440 1.00 0.00 H new ATOM 0 HG1 THR A 60 14.649 3.932 -9.807 1.00 0.00 H new ATOM 0 HG21 THR A 60 13.232 1.582 -10.112 1.00 0.00 H new ATOM 0 HG22 THR A 60 11.677 2.250 -10.660 1.00 0.00 H new ATOM 0 HG23 THR A 60 13.202 2.887 -11.321 1.00 0.00 H new ATOM 947 N LEU A 61 11.862 6.268 -7.811 1.00 0.00 N ATOM 948 CA LEU A 61 11.228 6.873 -6.646 1.00 0.00 C ATOM 949 C LEU A 61 9.885 7.522 -6.993 1.00 0.00 C ATOM 950 O LEU A 61 8.875 7.139 -6.423 1.00 0.00 O ATOM 951 CB LEU A 61 12.157 7.901 -5.991 1.00 0.00 C ATOM 952 CG LEU A 61 13.165 7.342 -4.982 1.00 0.00 C ATOM 953 CD1 LEU A 61 13.587 8.425 -4.010 1.00 0.00 C ATOM 954 CD2 LEU A 61 12.588 6.156 -4.224 1.00 0.00 C ATOM 0 H LEU A 61 12.806 6.607 -7.996 1.00 0.00 H new ATOM 0 HA LEU A 61 11.034 6.068 -5.937 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.707 8.418 -6.777 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.543 8.648 -5.487 1.00 0.00 H new ATOM 0 HG LEU A 61 14.038 6.997 -5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.303 8.016 -3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.049 9.246 -4.558 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.713 8.793 -3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.328 5.782 -3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.694 6.469 -3.684 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.328 5.366 -4.928 1.00 0.00 H new ATOM 966 N PRO A 62 9.836 8.499 -7.934 1.00 0.00 N ATOM 967 CA PRO A 62 8.585 9.197 -8.276 1.00 0.00 C ATOM 968 C PRO A 62 7.473 8.241 -8.702 1.00 0.00 C ATOM 969 O PRO A 62 6.295 8.474 -8.419 1.00 0.00 O ATOM 970 CB PRO A 62 8.975 10.115 -9.443 1.00 0.00 C ATOM 971 CG PRO A 62 10.287 9.607 -9.927 1.00 0.00 C ATOM 972 CD PRO A 62 10.964 9.006 -8.733 1.00 0.00 C ATOM 0 HA PRO A 62 8.185 9.733 -7.415 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.226 10.084 -10.234 1.00 0.00 H new ATOM 0 HB3 PRO A 62 9.052 11.152 -9.118 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.152 8.865 -10.713 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.886 10.414 -10.350 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.649 8.207 -9.017 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.547 9.746 -8.184 1.00 0.00 H new ATOM 980 N ASP A 63 7.853 7.158 -9.366 1.00 0.00 N ATOM 981 CA ASP A 63 6.885 6.173 -9.836 1.00 0.00 C ATOM 982 C ASP A 63 6.280 5.420 -8.656 1.00 0.00 C ATOM 983 O ASP A 63 5.059 5.293 -8.541 1.00 0.00 O ATOM 984 CB ASP A 63 7.544 5.189 -10.805 1.00 0.00 C ATOM 985 CG ASP A 63 6.549 4.224 -11.420 1.00 0.00 C ATOM 986 OD1 ASP A 63 5.515 4.685 -11.956 1.00 0.00 O ATOM 987 OD2 ASP A 63 6.797 3.000 -11.380 1.00 0.00 O ATOM 0 H ASP A 63 8.823 6.938 -9.592 1.00 0.00 H new ATOM 0 HA ASP A 63 6.090 6.699 -10.364 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.044 5.745 -11.598 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.313 4.625 -10.278 1.00 0.00 H new ATOM 992 N ALA A 64 7.140 4.942 -7.767 1.00 0.00 N ATOM 993 CA ALA A 64 6.691 4.220 -6.584 1.00 0.00 C ATOM 994 C ALA A 64 6.042 5.176 -5.581 1.00 0.00 C ATOM 995 O ALA A 64 5.119 4.807 -4.859 1.00 0.00 O ATOM 996 CB ALA A 64 7.859 3.473 -5.953 1.00 0.00 C ATOM 0 H ALA A 64 8.152 5.041 -7.842 1.00 0.00 H new ATOM 0 HA ALA A 64 5.938 3.491 -6.882 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.513 2.937 -5.069 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.268 2.763 -6.672 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.633 4.184 -5.666 1.00 0.00 H new ATOM 1002 N ASP A 65 6.527 6.410 -5.556 1.00 0.00 N ATOM 1003 CA ASP A 65 5.989 7.445 -4.672 1.00 0.00 C ATOM 1004 C ASP A 65 4.543 7.764 -5.032 1.00 0.00 C ATOM 1005 O ASP A 65 3.685 7.883 -4.161 1.00 0.00 O ATOM 1006 CB ASP A 65 6.852 8.710 -4.755 1.00 0.00 C ATOM 1007 CG ASP A 65 6.330 9.842 -3.893 1.00 0.00 C ATOM 1008 OD1 ASP A 65 5.511 10.643 -4.384 1.00 0.00 O ATOM 1009 OD2 ASP A 65 6.754 9.946 -2.724 1.00 0.00 O ATOM 0 H ASP A 65 7.300 6.724 -6.143 1.00 0.00 H new ATOM 0 HA ASP A 65 6.010 7.071 -3.648 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.870 8.469 -4.450 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.900 9.043 -5.792 1.00 0.00 H new ATOM 1014 N ARG A 66 4.268 7.877 -6.324 1.00 0.00 N ATOM 1015 CA ARG A 66 2.909 8.109 -6.794 1.00 0.00 C ATOM 1016 C ARG A 66 2.014 6.925 -6.432 1.00 0.00 C ATOM 1017 O ARG A 66 0.821 7.083 -6.172 1.00 0.00 O ATOM 1018 CB ARG A 66 2.911 8.332 -8.305 1.00 0.00 C ATOM 1019 CG ARG A 66 2.600 9.761 -8.709 1.00 0.00 C ATOM 1020 CD ARG A 66 1.103 10.028 -8.698 1.00 0.00 C ATOM 1021 NE ARG A 66 0.366 9.111 -9.570 1.00 0.00 N ATOM 1022 CZ ARG A 66 -0.963 9.010 -9.590 1.00 0.00 C ATOM 1023 NH1 ARG A 66 -1.700 9.781 -8.793 1.00 0.00 N ATOM 1024 NH2 ARG A 66 -1.553 8.146 -10.410 1.00 0.00 N ATOM 0 H ARG A 66 4.966 7.812 -7.064 1.00 0.00 H new ATOM 0 HA ARG A 66 2.515 9.001 -6.308 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.887 8.055 -8.703 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.179 7.666 -8.763 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.099 10.450 -8.028 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.998 9.954 -9.705 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.728 9.936 -7.679 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.917 11.054 -9.015 1.00 0.00 H new ATOM 0 HE ARG A 66 0.902 8.514 -10.200 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.248 10.448 -8.168 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.717 9.705 -8.808 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.989 7.559 -11.025 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.570 8.070 -10.424 1.00 0.00 H new ATOM 1038 N GLU A 67 2.615 5.743 -6.391 1.00 0.00 N ATOM 1039 CA GLU A 67 1.900 4.528 -6.043 1.00 0.00 C ATOM 1040 C GLU A 67 1.521 4.513 -4.560 1.00 0.00 C ATOM 1041 O GLU A 67 0.482 3.977 -4.196 1.00 0.00 O ATOM 1042 CB GLU A 67 2.737 3.294 -6.387 1.00 0.00 C ATOM 1043 CG GLU A 67 1.902 2.064 -6.701 1.00 0.00 C ATOM 1044 CD GLU A 67 1.370 2.059 -8.119 1.00 0.00 C ATOM 1045 OE1 GLU A 67 0.507 2.903 -8.443 1.00 0.00 O ATOM 1046 OE2 GLU A 67 1.807 1.206 -8.916 1.00 0.00 O ATOM 0 H GLU A 67 3.604 5.603 -6.597 1.00 0.00 H new ATOM 0 HA GLU A 67 0.981 4.504 -6.628 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.371 3.522 -7.244 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.400 3.070 -5.551 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.506 1.171 -6.542 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.065 2.011 -6.004 1.00 0.00 H new ATOM 1053 N ARG A 68 2.357 5.108 -3.702 1.00 0.00 N ATOM 1054 CA ARG A 68 2.052 5.169 -2.275 1.00 0.00 C ATOM 1055 C ARG A 68 0.784 5.993 -2.039 1.00 0.00 C ATOM 1056 O ARG A 68 -0.009 5.693 -1.147 1.00 0.00 O ATOM 1057 CB ARG A 68 3.243 5.739 -1.483 1.00 0.00 C ATOM 1058 CG ARG A 68 3.219 7.246 -1.280 1.00 0.00 C ATOM 1059 CD ARG A 68 4.626 7.829 -1.263 1.00 0.00 C ATOM 1060 NE ARG A 68 5.115 8.010 0.094 1.00 0.00 N ATOM 1061 CZ ARG A 68 5.528 9.177 0.591 1.00 0.00 C ATOM 1062 NH1 ARG A 68 5.683 10.228 -0.203 1.00 0.00 N ATOM 1063 NH2 ARG A 68 5.838 9.279 1.876 1.00 0.00 N ATOM 0 H ARG A 68 3.238 5.548 -3.969 1.00 0.00 H new ATOM 0 HA ARG A 68 1.872 4.156 -1.915 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.274 5.257 -0.506 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.165 5.472 -2.000 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.640 7.712 -2.077 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.716 7.480 -0.342 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.300 7.169 -1.808 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.629 8.787 -1.782 1.00 0.00 H new ATOM 0 HE ARG A 68 5.144 7.193 0.704 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.486 10.147 -1.201 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.999 11.117 0.184 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.761 8.465 2.485 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.154 10.172 2.255 1.00 0.00 H new ATOM 1077 N GLU A 69 0.589 7.006 -2.873 1.00 0.00 N ATOM 1078 CA GLU A 69 -0.614 7.827 -2.816 1.00 0.00 C ATOM 1079 C GLU A 69 -1.800 7.046 -3.368 1.00 0.00 C ATOM 1080 O GLU A 69 -2.921 7.161 -2.874 1.00 0.00 O ATOM 1081 CB GLU A 69 -0.416 9.117 -3.617 1.00 0.00 C ATOM 1082 CG GLU A 69 -0.850 10.369 -2.875 1.00 0.00 C ATOM 1083 CD GLU A 69 -1.430 11.418 -3.800 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -0.654 12.060 -4.536 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -2.665 11.609 -3.792 1.00 0.00 O ATOM 0 H GLU A 69 1.251 7.280 -3.599 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.812 8.089 -1.777 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.637 9.210 -3.884 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.976 9.045 -4.549 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.592 10.103 -2.122 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.005 10.789 -2.345 1.00 0.00 H new ATOM 1092 N ALA A 70 -1.529 6.236 -4.382 1.00 0.00 N ATOM 1093 CA ALA A 70 -2.555 5.434 -5.036 1.00 0.00 C ATOM 1094 C ALA A 70 -2.939 4.218 -4.193 1.00 0.00 C ATOM 1095 O ALA A 70 -3.954 3.570 -4.439 1.00 0.00 O ATOM 1096 CB ALA A 70 -2.064 4.995 -6.408 1.00 0.00 C ATOM 0 H ALA A 70 -0.595 6.116 -4.774 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.448 6.048 -5.150 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.833 4.395 -6.895 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.850 5.874 -7.016 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.157 4.401 -6.297 1.00 0.00 H new ATOM 1102 N ILE A 71 -2.133 3.931 -3.187 1.00 0.00 N ATOM 1103 CA ILE A 71 -2.366 2.790 -2.318 1.00 0.00 C ATOM 1104 C ILE A 71 -3.196 3.240 -1.128 1.00 0.00 C ATOM 1105 O ILE A 71 -4.098 2.536 -0.673 1.00 0.00 O ATOM 1106 CB ILE A 71 -1.029 2.135 -1.864 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -0.775 0.861 -2.669 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -1.021 1.812 -0.373 1.00 0.00 C ATOM 1109 CD1 ILE A 71 0.589 0.813 -3.319 1.00 0.00 C ATOM 0 H ILE A 71 -1.305 4.477 -2.950 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.913 2.026 -2.870 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.234 2.857 -2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.885 -0.001 -2.011 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.539 0.772 -3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.068 1.357 -0.104 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.159 2.730 0.199 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.831 1.118 -0.147 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.696 -0.120 -3.872 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.696 1.655 -4.003 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.360 0.870 -2.551 1.00 0.00 H new ATOM 1121 N LEU A 72 -2.912 4.450 -0.664 1.00 0.00 N ATOM 1122 CA LEU A 72 -3.681 5.053 0.412 1.00 0.00 C ATOM 1123 C LEU A 72 -5.060 5.427 -0.099 1.00 0.00 C ATOM 1124 O LEU A 72 -6.025 5.508 0.667 1.00 0.00 O ATOM 1125 CB LEU A 72 -2.957 6.283 0.956 1.00 0.00 C ATOM 1126 CG LEU A 72 -1.826 5.971 1.933 1.00 0.00 C ATOM 1127 CD1 LEU A 72 -1.441 7.211 2.715 1.00 0.00 C ATOM 1128 CD2 LEU A 72 -2.240 4.850 2.872 1.00 0.00 C ATOM 0 H LEU A 72 -2.153 5.032 -1.018 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.787 4.335 1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.551 6.850 0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.683 6.926 1.454 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.954 5.644 1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.634 6.969 3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.108 7.987 2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.304 7.570 3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.426 4.636 3.564 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.123 5.153 3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.468 3.955 2.292 1.00 0.00 H new ATOM 1140 N ALA A 73 -5.143 5.613 -1.411 1.00 0.00 N ATOM 1141 CA ALA A 73 -6.406 5.935 -2.073 1.00 0.00 C ATOM 1142 C ALA A 73 -7.394 4.775 -1.971 1.00 0.00 C ATOM 1143 O ALA A 73 -8.598 4.945 -2.169 1.00 0.00 O ATOM 1144 CB ALA A 73 -6.166 6.297 -3.528 1.00 0.00 C ATOM 0 H ALA A 73 -4.345 5.546 -2.043 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.841 6.795 -1.564 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.117 6.534 -4.006 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.506 7.163 -3.583 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.702 5.454 -4.041 1.00 0.00 H new ATOM 1150 N ILE A 74 -6.876 3.598 -1.670 1.00 0.00 N ATOM 1151 CA ILE A 74 -7.707 2.430 -1.446 1.00 0.00 C ATOM 1152 C ILE A 74 -8.146 2.376 0.016 1.00 0.00 C ATOM 1153 O ILE A 74 -9.281 2.019 0.339 1.00 0.00 O ATOM 1154 CB ILE A 74 -6.937 1.139 -1.795 1.00 0.00 C ATOM 1155 CG1 ILE A 74 -6.549 1.130 -3.275 1.00 0.00 C ATOM 1156 CG2 ILE A 74 -7.761 -0.088 -1.456 1.00 0.00 C ATOM 1157 CD1 ILE A 74 -5.215 0.466 -3.540 1.00 0.00 C ATOM 0 H ILE A 74 -5.875 3.426 -1.575 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.583 2.505 -2.090 1.00 0.00 H new ATOM 0 HB ILE A 74 -6.026 1.114 -1.197 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.323 0.614 -3.843 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.515 2.156 -3.641 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.198 -0.986 -1.711 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.987 -0.091 -0.390 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.691 -0.070 -2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.001 0.494 -4.608 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.431 0.996 -2.999 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.251 -0.570 -3.204 1.00 0.00 H new ATOM 1169 N HIS A 75 -7.239 2.778 0.892 1.00 0.00 N ATOM 1170 CA HIS A 75 -7.446 2.676 2.329 1.00 0.00 C ATOM 1171 C HIS A 75 -8.474 3.678 2.823 1.00 0.00 C ATOM 1172 O HIS A 75 -9.179 3.414 3.781 1.00 0.00 O ATOM 1173 CB HIS A 75 -6.094 2.830 3.049 1.00 0.00 C ATOM 1174 CG HIS A 75 -6.076 3.718 4.263 1.00 0.00 C ATOM 1175 ND1 HIS A 75 -5.904 3.239 5.540 1.00 0.00 N ATOM 1176 CD2 HIS A 75 -6.155 5.063 4.379 1.00 0.00 C ATOM 1177 CE1 HIS A 75 -5.874 4.251 6.386 1.00 0.00 C ATOM 1178 NE2 HIS A 75 -6.026 5.365 5.707 1.00 0.00 N ATOM 0 H HIS A 75 -6.341 3.183 0.629 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.853 1.691 2.559 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -5.751 1.839 3.346 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -5.369 3.217 2.333 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -5.814 2.255 5.794 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.294 5.768 3.573 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -5.746 4.176 7.456 1.00 0.00 H new ATOM 1187 N LYS A 76 -8.568 4.815 2.172 1.00 0.00 N ATOM 1188 CA LYS A 76 -9.483 5.856 2.634 1.00 0.00 C ATOM 1189 C LYS A 76 -10.933 5.370 2.592 1.00 0.00 C ATOM 1190 O LYS A 76 -11.743 5.745 3.434 1.00 0.00 O ATOM 1191 CB LYS A 76 -9.321 7.168 1.843 1.00 0.00 C ATOM 1192 CG LYS A 76 -9.108 6.998 0.345 1.00 0.00 C ATOM 1193 CD LYS A 76 -10.411 6.723 -0.381 1.00 0.00 C ATOM 1194 CE LYS A 76 -10.987 7.974 -1.016 1.00 0.00 C ATOM 1195 NZ LYS A 76 -12.122 7.650 -1.917 1.00 0.00 N ATOM 0 H LYS A 76 -8.036 5.049 1.334 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.222 6.072 3.670 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.208 7.781 2.001 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -8.476 7.720 2.254 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.648 7.899 -0.061 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.413 6.178 0.167 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.244 5.970 -1.151 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.135 6.307 0.320 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.323 8.658 -0.237 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.209 8.490 -1.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.756 8.471 -1.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.758 7.414 -2.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.647 6.838 -1.535 1.00 0.00 H new ATOM 1209 N GLU A 77 -11.245 4.509 1.637 1.00 0.00 N ATOM 1210 CA GLU A 77 -12.590 3.967 1.518 1.00 0.00 C ATOM 1211 C GLU A 77 -12.728 2.694 2.349 1.00 0.00 C ATOM 1212 O GLU A 77 -13.787 2.404 2.895 1.00 0.00 O ATOM 1213 CB GLU A 77 -12.913 3.685 0.048 1.00 0.00 C ATOM 1214 CG GLU A 77 -14.364 3.951 -0.328 1.00 0.00 C ATOM 1215 CD GLU A 77 -14.679 5.430 -0.497 1.00 0.00 C ATOM 1216 OE1 GLU A 77 -13.764 6.267 -0.346 1.00 0.00 O ATOM 1217 OE2 GLU A 77 -15.851 5.764 -0.773 1.00 0.00 O ATOM 0 H GLU A 77 -10.588 4.171 0.934 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.299 4.702 1.898 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.267 4.299 -0.580 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.676 2.644 -0.172 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.593 3.429 -1.257 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.014 3.533 0.441 1.00 0.00 H new ATOM 1224 N ALA A 78 -11.634 1.960 2.472 1.00 0.00 N ATOM 1225 CA ALA A 78 -11.649 0.672 3.154 1.00 0.00 C ATOM 1226 C ALA A 78 -11.234 0.783 4.621 1.00 0.00 C ATOM 1227 O ALA A 78 -11.090 -0.235 5.308 1.00 0.00 O ATOM 1228 CB ALA A 78 -10.745 -0.308 2.424 1.00 0.00 C ATOM 0 H ALA A 78 -10.721 2.233 2.108 1.00 0.00 H new ATOM 0 HA ALA A 78 -12.676 0.307 3.141 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.760 -1.269 2.938 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.100 -0.438 1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.726 0.079 2.408 1.00 0.00 H new ATOM 1234 N GLN A 79 -11.019 2.004 5.097 1.00 0.00 N ATOM 1235 CA GLN A 79 -10.663 2.225 6.495 1.00 0.00 C ATOM 1236 C GLN A 79 -11.647 3.161 7.179 1.00 0.00 C ATOM 1237 O GLN A 79 -12.183 2.833 8.235 1.00 0.00 O ATOM 1238 CB GLN A 79 -9.251 2.802 6.620 1.00 0.00 C ATOM 1239 CG GLN A 79 -8.418 2.139 7.693 1.00 0.00 C ATOM 1240 CD GLN A 79 -7.693 0.926 7.172 1.00 0.00 C ATOM 1241 OE1 GLN A 79 -6.494 0.969 6.887 1.00 0.00 O ATOM 1242 NE2 GLN A 79 -8.420 -0.157 7.015 1.00 0.00 N ATOM 0 H GLN A 79 -11.085 2.855 4.538 1.00 0.00 H new ATOM 0 HA GLN A 79 -10.699 1.253 6.988 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.741 2.702 5.662 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.321 3.869 6.834 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.694 2.854 8.084 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.061 1.849 8.524 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.409 -0.148 7.264 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.995 -1.007 6.644 1.00 0.00 H new ATOM 1251 N ARG A 80 -11.893 4.311 6.557 1.00 0.00 N ATOM 1252 CA ARG A 80 -12.711 5.359 7.162 1.00 0.00 C ATOM 1253 C ARG A 80 -14.093 4.835 7.525 1.00 0.00 C ATOM 1254 O ARG A 80 -14.699 5.297 8.485 1.00 0.00 O ATOM 1255 CB ARG A 80 -12.815 6.573 6.225 1.00 0.00 C ATOM 1256 CG ARG A 80 -14.101 6.631 5.412 1.00 0.00 C ATOM 1257 CD ARG A 80 -14.331 8.006 4.802 1.00 0.00 C ATOM 1258 NE ARG A 80 -15.350 7.966 3.753 1.00 0.00 N ATOM 1259 CZ ARG A 80 -15.130 7.523 2.517 1.00 0.00 C ATOM 1260 NH1 ARG A 80 -13.905 7.193 2.136 1.00 0.00 N ATOM 1261 NH2 ARG A 80 -16.129 7.440 1.647 1.00 0.00 N ATOM 0 H ARG A 80 -11.536 4.542 5.630 1.00 0.00 H new ATOM 0 HA ARG A 80 -12.223 5.678 8.083 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -12.734 7.483 6.819 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -11.967 6.562 5.540 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.062 5.885 4.618 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.945 6.373 6.051 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -14.637 8.704 5.581 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.396 8.382 4.387 1.00 0.00 H new ATOM 0 HE ARG A 80 -16.287 8.298 3.983 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -13.127 7.278 2.790 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.740 6.854 1.188 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -17.071 7.716 1.924 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.955 7.100 0.701 1.00 0.00 H new ATOM 1275 N ILE A 81 -14.572 3.853 6.768 1.00 0.00 N ATOM 1276 CA ILE A 81 -15.857 3.235 7.050 1.00 0.00 C ATOM 1277 C ILE A 81 -15.880 2.696 8.481 1.00 0.00 C ATOM 1278 O ILE A 81 -16.824 2.930 9.230 1.00 0.00 O ATOM 1279 CB ILE A 81 -16.167 2.091 6.051 1.00 0.00 C ATOM 1280 CG1 ILE A 81 -15.000 1.105 5.963 1.00 0.00 C ATOM 1281 CG2 ILE A 81 -16.462 2.655 4.670 1.00 0.00 C ATOM 1282 CD1 ILE A 81 -15.226 -0.171 6.742 1.00 0.00 C ATOM 0 H ILE A 81 -14.088 3.470 5.956 1.00 0.00 H new ATOM 0 HA ILE A 81 -16.626 4.000 6.938 1.00 0.00 H new ATOM 0 HB ILE A 81 -17.045 1.560 6.418 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -14.824 0.856 4.917 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -14.096 1.591 6.331 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -16.677 1.838 3.982 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -17.324 3.320 4.725 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -15.596 3.212 4.312 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -14.358 -0.822 6.634 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -15.372 0.067 7.796 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -16.111 -0.679 6.359 1.00 0.00 H new ATOM 1294 N ALA A 82 -14.796 2.035 8.867 1.00 0.00 N ATOM 1295 CA ALA A 82 -14.690 1.403 10.172 1.00 0.00 C ATOM 1296 C ALA A 82 -14.424 2.443 11.246 1.00 0.00 C ATOM 1297 O ALA A 82 -14.923 2.339 12.363 1.00 0.00 O ATOM 1298 CB ALA A 82 -13.590 0.355 10.146 1.00 0.00 C ATOM 0 H ALA A 82 -13.967 1.923 8.283 1.00 0.00 H new ATOM 0 HA ALA A 82 -15.634 0.912 10.409 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.513 -0.117 11.126 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.825 -0.401 9.397 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -12.641 0.830 9.897 1.00 0.00 H new ATOM 1304 N GLU A 83 -13.668 3.464 10.886 1.00 0.00 N ATOM 1305 CA GLU A 83 -13.368 4.550 11.806 1.00 0.00 C ATOM 1306 C GLU A 83 -14.583 5.472 11.967 1.00 0.00 C ATOM 1307 O GLU A 83 -14.524 6.482 12.669 1.00 0.00 O ATOM 1308 CB GLU A 83 -12.156 5.339 11.306 1.00 0.00 C ATOM 1309 CG GLU A 83 -11.044 4.461 10.733 1.00 0.00 C ATOM 1310 CD GLU A 83 -10.144 3.881 11.803 1.00 0.00 C ATOM 1311 OE1 GLU A 83 -9.355 4.642 12.400 1.00 0.00 O ATOM 1312 OE2 GLU A 83 -10.207 2.657 12.046 1.00 0.00 O ATOM 0 H GLU A 83 -13.249 3.566 9.962 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.132 4.127 12.782 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.483 6.042 10.540 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.753 5.929 12.129 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.489 3.648 10.159 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.443 5.050 10.040 1.00 0.00 H new ATOM 1479 N TYR A 95 -6.414 -9.301 5.207 1.00 0.00 N ATOM 1480 CA TYR A 95 -5.297 -9.730 4.383 1.00 0.00 C ATOM 1481 C TYR A 95 -4.212 -8.671 4.442 1.00 0.00 C ATOM 1482 O TYR A 95 -3.021 -8.971 4.548 1.00 0.00 O ATOM 1483 CB TYR A 95 -5.735 -9.946 2.922 1.00 0.00 C ATOM 1484 CG TYR A 95 -7.227 -10.170 2.735 1.00 0.00 C ATOM 1485 CD1 TYR A 95 -7.862 -11.270 3.301 1.00 0.00 C ATOM 1486 CD2 TYR A 95 -7.998 -9.284 1.987 1.00 0.00 C ATOM 1487 CE1 TYR A 95 -9.217 -11.480 3.132 1.00 0.00 C ATOM 1488 CE2 TYR A 95 -9.356 -9.488 1.813 1.00 0.00 C ATOM 1489 CZ TYR A 95 -9.960 -10.587 2.387 1.00 0.00 C ATOM 1490 OH TYR A 95 -11.309 -10.798 2.212 1.00 0.00 O ATOM 0 HA TYR A 95 -4.921 -10.679 4.764 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.435 -9.078 2.334 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.199 -10.805 2.519 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -7.285 -11.973 3.883 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -7.528 -8.423 1.535 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -9.693 -12.339 3.581 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -9.940 -8.790 1.231 1.00 0.00 H new ATOM 0 HH TYR A 95 -11.813 -10.176 2.777 1.00 0.00 H new ATOM 1500 N THR A 96 -4.650 -7.426 4.382 1.00 0.00 N ATOM 1501 CA THR A 96 -3.773 -6.282 4.426 1.00 0.00 C ATOM 1502 C THR A 96 -3.278 -5.976 5.836 1.00 0.00 C ATOM 1503 O THR A 96 -3.737 -5.026 6.464 1.00 0.00 O ATOM 1504 CB THR A 96 -4.512 -5.063 3.879 1.00 0.00 C ATOM 1505 OG1 THR A 96 -5.766 -5.479 3.300 1.00 0.00 O ATOM 1506 CG2 THR A 96 -3.672 -4.375 2.834 1.00 0.00 C ATOM 0 H THR A 96 -5.637 -7.184 4.300 1.00 0.00 H new ATOM 0 HA THR A 96 -2.900 -6.516 3.817 1.00 0.00 H new ATOM 0 HB THR A 96 -4.703 -4.365 4.694 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.715 -5.409 2.324 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.208 -3.507 2.450 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.730 -4.053 3.278 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.469 -5.067 2.017 1.00 0.00 H new ATOM 1514 N THR A 97 -2.356 -6.792 6.330 1.00 0.00 N ATOM 1515 CA THR A 97 -1.674 -6.505 7.582 1.00 0.00 C ATOM 1516 C THR A 97 -0.908 -5.191 7.462 1.00 0.00 C ATOM 1517 O THR A 97 -0.818 -4.405 8.405 1.00 0.00 O ATOM 1518 CB THR A 97 -0.690 -7.633 7.933 1.00 0.00 C ATOM 1519 OG1 THR A 97 -1.300 -8.911 7.699 1.00 0.00 O ATOM 1520 CG2 THR A 97 -0.238 -7.526 9.380 1.00 0.00 C ATOM 0 H THR A 97 -2.064 -7.660 5.880 1.00 0.00 H new ATOM 0 HA THR A 97 -2.421 -6.428 8.372 1.00 0.00 H new ATOM 0 HB THR A 97 0.187 -7.534 7.293 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.665 -9.623 7.924 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.457 -8.335 9.605 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.257 -6.568 9.537 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.104 -7.599 10.038 1.00 0.00 H new ATOM 1528 N VAL A 98 -0.353 -4.988 6.276 1.00 0.00 N ATOM 1529 CA VAL A 98 0.346 -3.758 5.935 1.00 0.00 C ATOM 1530 C VAL A 98 -0.580 -2.545 6.059 1.00 0.00 C ATOM 1531 O VAL A 98 -1.488 -2.338 5.249 1.00 0.00 O ATOM 1532 CB VAL A 98 0.940 -3.842 4.505 1.00 0.00 C ATOM 1533 CG1 VAL A 98 0.023 -4.627 3.576 1.00 0.00 C ATOM 1534 CG2 VAL A 98 1.225 -2.460 3.932 1.00 0.00 C ATOM 0 H VAL A 98 -0.375 -5.674 5.521 1.00 0.00 H new ATOM 0 HA VAL A 98 1.165 -3.633 6.643 1.00 0.00 H new ATOM 0 HB VAL A 98 1.889 -4.373 4.581 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.464 -4.670 2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.105 -5.639 3.960 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -0.948 -4.135 3.522 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.640 -2.560 2.929 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.299 -1.887 3.886 1.00 0.00 H new ATOM 0 HG23 VAL A 98 1.940 -1.942 4.571 1.00 0.00 H new ATOM 1544 N THR A 99 -0.355 -1.768 7.100 1.00 0.00 N ATOM 1545 CA THR A 99 -1.090 -0.543 7.338 1.00 0.00 C ATOM 1546 C THR A 99 -0.376 0.637 6.673 1.00 0.00 C ATOM 1547 O THR A 99 0.796 0.521 6.304 1.00 0.00 O ATOM 1548 CB THR A 99 -1.202 -0.306 8.854 1.00 0.00 C ATOM 1549 OG1 THR A 99 -0.586 -1.397 9.549 1.00 0.00 O ATOM 1550 CG2 THR A 99 -2.650 -0.196 9.285 1.00 0.00 C ATOM 0 H THR A 99 0.349 -1.971 7.810 1.00 0.00 H new ATOM 0 HA THR A 99 -2.088 -0.630 6.909 1.00 0.00 H new ATOM 0 HB THR A 99 -0.698 0.631 9.094 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.086 -1.054 10.319 1.00 0.00 H new ATOM 0 HG21 THR A 99 -2.698 -0.029 10.361 1.00 0.00 H new ATOM 0 HG22 THR A 99 -3.121 0.639 8.767 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.174 -1.119 9.038 1.00 0.00 H new ATOM 1558 N PRO A 100 -1.071 1.778 6.492 1.00 0.00 N ATOM 1559 CA PRO A 100 -0.484 2.996 5.916 1.00 0.00 C ATOM 1560 C PRO A 100 0.838 3.379 6.566 1.00 0.00 C ATOM 1561 O PRO A 100 1.765 3.825 5.893 1.00 0.00 O ATOM 1562 CB PRO A 100 -1.531 4.061 6.208 1.00 0.00 C ATOM 1563 CG PRO A 100 -2.809 3.313 6.225 1.00 0.00 C ATOM 1564 CD PRO A 100 -2.498 1.964 6.803 1.00 0.00 C ATOM 0 HA PRO A 100 -0.255 2.868 4.858 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.344 4.553 7.162 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.534 4.838 5.444 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.555 3.832 6.827 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.219 3.220 5.219 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.682 1.935 7.877 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -3.112 1.183 6.354 1.00 0.00 H new ATOM 1572 N GLN A 101 0.926 3.179 7.871 1.00 0.00 N ATOM 1573 CA GLN A 101 2.116 3.560 8.612 1.00 0.00 C ATOM 1574 C GLN A 101 3.250 2.610 8.302 1.00 0.00 C ATOM 1575 O GLN A 101 4.397 3.025 8.220 1.00 0.00 O ATOM 1576 CB GLN A 101 1.832 3.580 10.115 1.00 0.00 C ATOM 1577 CG GLN A 101 1.221 4.886 10.611 1.00 0.00 C ATOM 1578 CD GLN A 101 1.573 6.073 9.735 1.00 0.00 C ATOM 1579 OE1 GLN A 101 0.813 6.445 8.843 1.00 0.00 O ATOM 1580 NE2 GLN A 101 2.723 6.673 9.983 1.00 0.00 N ATOM 0 H GLN A 101 0.190 2.756 8.437 1.00 0.00 H new ATOM 0 HA GLN A 101 2.407 4.565 8.306 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.157 2.759 10.358 1.00 0.00 H new ATOM 0 HB3 GLN A 101 2.762 3.398 10.653 1.00 0.00 H new ATOM 0 HG2 GLN A 101 0.137 4.781 10.653 1.00 0.00 H new ATOM 0 HG3 GLN A 101 1.563 5.078 11.628 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.325 6.332 10.733 1.00 0.00 H new ATOM 0 HE22 GLN A 101 3.010 7.477 9.425 1.00 0.00 H new ATOM 1589 N ILE A 102 2.923 1.343 8.101 1.00 0.00 N ATOM 1590 CA ILE A 102 3.920 0.354 7.721 1.00 0.00 C ATOM 1591 C ILE A 102 4.504 0.700 6.354 1.00 0.00 C ATOM 1592 O ILE A 102 5.721 0.718 6.174 1.00 0.00 O ATOM 1593 CB ILE A 102 3.309 -1.067 7.700 1.00 0.00 C ATOM 1594 CG1 ILE A 102 3.380 -1.684 9.094 1.00 0.00 C ATOM 1595 CG2 ILE A 102 4.016 -1.968 6.689 1.00 0.00 C ATOM 1596 CD1 ILE A 102 2.235 -2.617 9.390 1.00 0.00 C ATOM 0 H ILE A 102 1.976 0.975 8.194 1.00 0.00 H new ATOM 0 HA ILE A 102 4.719 0.368 8.463 1.00 0.00 H new ATOM 0 HB ILE A 102 2.266 -0.980 7.394 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.319 -2.228 9.196 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.392 -0.886 9.837 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.560 -2.958 6.702 1.00 0.00 H new ATOM 0 HG22 ILE A 102 3.923 -1.539 5.691 1.00 0.00 H new ATOM 0 HG23 ILE A 102 5.071 -2.051 6.951 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.346 -3.021 10.396 1.00 0.00 H new ATOM 0 HD12 ILE A 102 1.294 -2.072 9.320 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.236 -3.434 8.669 1.00 0.00 H new ATOM 1608 N ILE A 103 3.630 1.004 5.401 1.00 0.00 N ATOM 1609 CA ILE A 103 4.073 1.323 4.050 1.00 0.00 C ATOM 1610 C ILE A 103 4.778 2.682 4.000 1.00 0.00 C ATOM 1611 O ILE A 103 5.724 2.869 3.235 1.00 0.00 O ATOM 1612 CB ILE A 103 2.904 1.267 3.027 1.00 0.00 C ATOM 1613 CG1 ILE A 103 3.410 0.730 1.690 1.00 0.00 C ATOM 1614 CG2 ILE A 103 2.242 2.625 2.828 1.00 0.00 C ATOM 1615 CD1 ILE A 103 2.513 -0.324 1.081 1.00 0.00 C ATOM 0 H ILE A 103 2.620 1.036 5.537 1.00 0.00 H new ATOM 0 HA ILE A 103 4.794 0.558 3.764 1.00 0.00 H new ATOM 0 HB ILE A 103 2.147 0.596 3.433 1.00 0.00 H new ATOM 0 HG12 ILE A 103 3.509 1.559 0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 103 4.406 0.310 1.830 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.432 2.532 2.104 1.00 0.00 H new ATOM 0 HG22 ILE A 103 1.841 2.977 3.778 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.979 3.338 2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.936 -0.658 0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 103 2.433 -1.171 1.762 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.523 0.097 0.908 1.00 0.00 H new ATOM 1627 N ASN A 104 4.341 3.623 4.831 1.00 0.00 N ATOM 1628 CA ASN A 104 4.953 4.944 4.847 1.00 0.00 C ATOM 1629 C ASN A 104 6.293 4.917 5.570 1.00 0.00 C ATOM 1630 O ASN A 104 7.256 5.521 5.105 1.00 0.00 O ATOM 1631 CB ASN A 104 4.027 5.981 5.489 1.00 0.00 C ATOM 1632 CG ASN A 104 4.056 7.311 4.752 1.00 0.00 C ATOM 1633 OD1 ASN A 104 5.041 7.652 4.092 1.00 0.00 O ATOM 1634 ND2 ASN A 104 2.983 8.073 4.862 1.00 0.00 N ATOM 0 H ASN A 104 3.576 3.497 5.493 1.00 0.00 H new ATOM 0 HA ASN A 104 5.123 5.235 3.810 1.00 0.00 H new ATOM 0 HB2 ASN A 104 3.007 5.597 5.502 1.00 0.00 H new ATOM 0 HB3 ASN A 104 4.322 6.136 6.527 1.00 0.00 H new ATOM 0 HD21 ASN A 104 2.950 8.978 4.392 1.00 0.00 H new ATOM 0 HD22 ASN A 104 2.188 7.757 5.417 1.00 0.00 H new ATOM 1641 N SER A 105 6.359 4.218 6.704 1.00 0.00 N ATOM 1642 CA SER A 105 7.621 4.085 7.433 1.00 0.00 C ATOM 1643 C SER A 105 8.669 3.379 6.575 1.00 0.00 C ATOM 1644 O SER A 105 9.844 3.755 6.576 1.00 0.00 O ATOM 1645 CB SER A 105 7.422 3.330 8.752 1.00 0.00 C ATOM 1646 OG SER A 105 6.795 2.078 8.545 1.00 0.00 O ATOM 0 H SER A 105 5.566 3.741 7.133 1.00 0.00 H new ATOM 0 HA SER A 105 7.977 5.089 7.665 1.00 0.00 H new ATOM 0 HB2 SER A 105 8.387 3.179 9.235 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.818 3.933 9.430 1.00 0.00 H new ATOM 0 HG SER A 105 5.845 2.216 8.349 1.00 0.00 H new ATOM 1652 N LYS A 106 8.238 2.359 5.833 1.00 0.00 N ATOM 1653 CA LYS A 106 9.130 1.647 4.928 1.00 0.00 C ATOM 1654 C LYS A 106 9.640 2.578 3.837 1.00 0.00 C ATOM 1655 O LYS A 106 10.837 2.616 3.552 1.00 0.00 O ATOM 1656 CB LYS A 106 8.420 0.444 4.301 1.00 0.00 C ATOM 1657 CG LYS A 106 8.498 -0.821 5.144 1.00 0.00 C ATOM 1658 CD LYS A 106 9.921 -1.354 5.227 1.00 0.00 C ATOM 1659 CE LYS A 106 10.058 -2.693 4.521 1.00 0.00 C ATOM 1660 NZ LYS A 106 11.484 -3.058 4.299 1.00 0.00 N ATOM 0 H LYS A 106 7.279 2.011 5.843 1.00 0.00 H new ATOM 0 HA LYS A 106 9.980 1.286 5.507 1.00 0.00 H new ATOM 0 HB2 LYS A 106 7.372 0.697 4.137 1.00 0.00 H new ATOM 0 HB3 LYS A 106 8.857 0.245 3.322 1.00 0.00 H new ATOM 0 HG2 LYS A 106 8.128 -0.613 6.148 1.00 0.00 H new ATOM 0 HG3 LYS A 106 7.848 -1.584 4.716 1.00 0.00 H new ATOM 0 HD2 LYS A 106 10.607 -0.634 4.780 1.00 0.00 H new ATOM 0 HD3 LYS A 106 10.210 -1.462 6.273 1.00 0.00 H new ATOM 0 HE2 LYS A 106 9.573 -3.468 5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 106 9.540 -2.653 3.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 11.620 -4.068 4.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 11.740 -2.871 3.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 12.089 -2.491 4.926 1.00 0.00 H new ATOM 1674 N TRP A 107 8.729 3.338 3.239 1.00 0.00 N ATOM 1675 CA TRP A 107 9.102 4.315 2.227 1.00 0.00 C ATOM 1676 C TRP A 107 10.027 5.369 2.822 1.00 0.00 C ATOM 1677 O TRP A 107 11.023 5.751 2.209 1.00 0.00 O ATOM 1678 CB TRP A 107 7.860 4.983 1.632 1.00 0.00 C ATOM 1679 CG TRP A 107 8.189 5.979 0.569 1.00 0.00 C ATOM 1680 CD1 TRP A 107 8.299 7.332 0.707 1.00 0.00 C ATOM 1681 CD2 TRP A 107 8.462 5.693 -0.797 1.00 0.00 C ATOM 1682 NE1 TRP A 107 8.620 7.900 -0.498 1.00 0.00 N ATOM 1683 CE2 TRP A 107 8.729 6.915 -1.436 1.00 0.00 C ATOM 1684 CE3 TRP A 107 8.506 4.520 -1.539 1.00 0.00 C ATOM 1685 CZ2 TRP A 107 9.043 6.995 -2.788 1.00 0.00 C ATOM 1686 CZ3 TRP A 107 8.815 4.597 -2.884 1.00 0.00 C ATOM 1687 CH2 TRP A 107 9.080 5.829 -3.495 1.00 0.00 C ATOM 0 H TRP A 107 7.730 3.295 3.438 1.00 0.00 H new ATOM 0 HA TRP A 107 9.629 3.792 1.429 1.00 0.00 H new ATOM 0 HB2 TRP A 107 7.206 4.217 1.215 1.00 0.00 H new ATOM 0 HB3 TRP A 107 7.304 5.479 2.428 1.00 0.00 H new ATOM 0 HD1 TRP A 107 8.154 7.875 1.629 1.00 0.00 H new ATOM 0 HE1 TRP A 107 8.755 8.897 -0.666 1.00 0.00 H new ATOM 0 HE3 TRP A 107 8.303 3.566 -1.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 9.250 7.944 -3.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 8.853 3.693 -3.473 1.00 0.00 H new ATOM 0 HH2 TRP A 107 9.319 5.856 -4.548 1.00 0.00 H new ATOM 1698 N GLU A 108 9.698 5.815 4.023 1.00 0.00 N ATOM 1699 CA GLU A 108 10.462 6.845 4.701 1.00 0.00 C ATOM 1700 C GLU A 108 11.879 6.363 4.966 1.00 0.00 C ATOM 1701 O GLU A 108 12.846 7.103 4.773 1.00 0.00 O ATOM 1702 CB GLU A 108 9.776 7.216 6.012 1.00 0.00 C ATOM 1703 CG GLU A 108 9.009 8.524 5.946 1.00 0.00 C ATOM 1704 CD GLU A 108 8.671 9.065 7.318 1.00 0.00 C ATOM 1705 OE1 GLU A 108 9.442 8.814 8.269 1.00 0.00 O ATOM 1706 OE2 GLU A 108 7.633 9.749 7.451 1.00 0.00 O ATOM 0 H GLU A 108 8.896 5.474 4.553 1.00 0.00 H new ATOM 0 HA GLU A 108 10.512 7.728 4.063 1.00 0.00 H new ATOM 0 HB2 GLU A 108 9.091 6.416 6.293 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.527 7.284 6.799 1.00 0.00 H new ATOM 0 HG2 GLU A 108 9.600 9.262 5.403 1.00 0.00 H new ATOM 0 HG3 GLU A 108 8.089 8.374 5.381 1.00 0.00 H new ATOM 1713 N LYS A 109 11.994 5.110 5.383 1.00 0.00 N ATOM 1714 CA LYS A 109 13.290 4.491 5.603 1.00 0.00 C ATOM 1715 C LYS A 109 14.096 4.468 4.310 1.00 0.00 C ATOM 1716 O LYS A 109 15.297 4.726 4.308 1.00 0.00 O ATOM 1717 CB LYS A 109 13.121 3.071 6.140 1.00 0.00 C ATOM 1718 CG LYS A 109 14.184 2.674 7.149 1.00 0.00 C ATOM 1719 CD LYS A 109 13.563 2.086 8.406 1.00 0.00 C ATOM 1720 CE LYS A 109 12.824 3.144 9.211 1.00 0.00 C ATOM 1721 NZ LYS A 109 11.828 2.542 10.134 1.00 0.00 N ATOM 0 H LYS A 109 11.199 4.500 5.576 1.00 0.00 H new ATOM 0 HA LYS A 109 13.830 5.082 6.342 1.00 0.00 H new ATOM 0 HB2 LYS A 109 12.139 2.981 6.605 1.00 0.00 H new ATOM 0 HB3 LYS A 109 13.144 2.370 5.305 1.00 0.00 H new ATOM 0 HG2 LYS A 109 14.860 1.946 6.700 1.00 0.00 H new ATOM 0 HG3 LYS A 109 14.783 3.546 7.411 1.00 0.00 H new ATOM 0 HD2 LYS A 109 12.873 1.288 8.133 1.00 0.00 H new ATOM 0 HD3 LYS A 109 14.342 1.637 9.022 1.00 0.00 H new ATOM 0 HE2 LYS A 109 13.542 3.731 9.784 1.00 0.00 H new ATOM 0 HE3 LYS A 109 12.320 3.831 8.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 11.346 3.296 10.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 11.128 2.002 9.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 12.312 1.906 10.799 1.00 0.00 H new ATOM 1735 N VAL A 110 13.418 4.165 3.211 1.00 0.00 N ATOM 1736 CA VAL A 110 14.044 4.168 1.896 1.00 0.00 C ATOM 1737 C VAL A 110 14.540 5.573 1.545 1.00 0.00 C ATOM 1738 O VAL A 110 15.656 5.742 1.055 1.00 0.00 O ATOM 1739 CB VAL A 110 13.061 3.674 0.805 1.00 0.00 C ATOM 1740 CG1 VAL A 110 13.584 3.986 -0.589 1.00 0.00 C ATOM 1741 CG2 VAL A 110 12.805 2.182 0.950 1.00 0.00 C ATOM 0 H VAL A 110 12.430 3.913 3.205 1.00 0.00 H new ATOM 0 HA VAL A 110 14.892 3.484 1.931 1.00 0.00 H new ATOM 0 HB VAL A 110 12.119 4.206 0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 110 12.873 3.627 -1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 110 13.711 5.063 -0.697 1.00 0.00 H new ATOM 0 HG13 VAL A 110 14.544 3.491 -0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 110 12.112 1.855 0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 110 13.745 1.640 0.849 1.00 0.00 H new ATOM 0 HG23 VAL A 110 12.374 1.980 1.931 1.00 0.00 H new ATOM 1751 N GLN A 111 13.711 6.573 1.836 1.00 0.00 N ATOM 1752 CA GLN A 111 14.038 7.966 1.540 1.00 0.00 C ATOM 1753 C GLN A 111 15.298 8.411 2.270 1.00 0.00 C ATOM 1754 O GLN A 111 16.167 9.050 1.679 1.00 0.00 O ATOM 1755 CB GLN A 111 12.878 8.882 1.927 1.00 0.00 C ATOM 1756 CG GLN A 111 11.612 8.605 1.153 1.00 0.00 C ATOM 1757 CD GLN A 111 11.428 9.546 -0.020 1.00 0.00 C ATOM 1758 OE1 GLN A 111 11.200 10.741 0.156 1.00 0.00 O ATOM 1759 NE2 GLN A 111 11.525 9.019 -1.227 1.00 0.00 N ATOM 0 H GLN A 111 12.802 6.443 2.280 1.00 0.00 H new ATOM 0 HA GLN A 111 14.216 8.037 0.467 1.00 0.00 H new ATOM 0 HB2 GLN A 111 12.676 8.770 2.992 1.00 0.00 H new ATOM 0 HB3 GLN A 111 13.174 9.919 1.766 1.00 0.00 H new ATOM 0 HG2 GLN A 111 11.630 7.577 0.790 1.00 0.00 H new ATOM 0 HG3 GLN A 111 10.756 8.692 1.822 1.00 0.00 H new ATOM 0 HE21 GLN A 111 11.715 8.023 -1.335 1.00 0.00 H new ATOM 0 HE22 GLN A 111 11.410 9.608 -2.052 1.00 0.00 H new ATOM 1768 N GLN A 112 15.406 8.058 3.544 1.00 0.00 N ATOM 1769 CA GLN A 112 16.547 8.487 4.356 1.00 0.00 C ATOM 1770 C GLN A 112 17.777 7.639 4.058 1.00 0.00 C ATOM 1771 O GLN A 112 18.890 7.978 4.461 1.00 0.00 O ATOM 1772 CB GLN A 112 16.217 8.444 5.852 1.00 0.00 C ATOM 1773 CG GLN A 112 15.540 7.162 6.309 1.00 0.00 C ATOM 1774 CD GLN A 112 16.421 6.317 7.207 1.00 0.00 C ATOM 1775 OE1 GLN A 112 16.808 6.739 8.297 1.00 0.00 O ATOM 1776 NE2 GLN A 112 16.749 5.119 6.753 1.00 0.00 N ATOM 0 H GLN A 112 14.726 7.481 4.038 1.00 0.00 H new ATOM 0 HA GLN A 112 16.767 9.521 4.090 1.00 0.00 H new ATOM 0 HB2 GLN A 112 17.139 8.576 6.419 1.00 0.00 H new ATOM 0 HB3 GLN A 112 15.571 9.288 6.094 1.00 0.00 H new ATOM 0 HG2 GLN A 112 14.622 7.412 6.840 1.00 0.00 H new ATOM 0 HG3 GLN A 112 15.254 6.577 5.435 1.00 0.00 H new ATOM 0 HE21 GLN A 112 16.407 4.807 5.844 1.00 0.00 H new ATOM 0 HE22 GLN A 112 17.344 4.507 7.312 1.00 0.00 H new ATOM 1785 N LEU A 113 17.577 6.542 3.344 1.00 0.00 N ATOM 1786 CA LEU A 113 18.680 5.676 2.963 1.00 0.00 C ATOM 1787 C LEU A 113 19.320 6.171 1.675 1.00 0.00 C ATOM 1788 O LEU A 113 20.437 5.778 1.331 1.00 0.00 O ATOM 1789 CB LEU A 113 18.198 4.238 2.794 1.00 0.00 C ATOM 1790 CG LEU A 113 18.334 3.365 4.039 1.00 0.00 C ATOM 1791 CD1 LEU A 113 17.304 2.252 4.014 1.00 0.00 C ATOM 1792 CD2 LEU A 113 19.739 2.794 4.138 1.00 0.00 C ATOM 0 H LEU A 113 16.662 6.231 3.017 1.00 0.00 H new ATOM 0 HA LEU A 113 19.427 5.700 3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 113 17.151 4.254 2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 113 18.757 3.776 1.981 1.00 0.00 H new ATOM 0 HG LEU A 113 18.155 3.982 4.919 1.00 0.00 H new ATOM 0 HD11 LEU A 113 17.412 1.637 4.907 1.00 0.00 H new ATOM 0 HD12 LEU A 113 16.303 2.683 3.989 1.00 0.00 H new ATOM 0 HD13 LEU A 113 17.456 1.635 3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 113 19.818 2.174 5.031 1.00 0.00 H new ATOM 0 HD22 LEU A 113 19.948 2.188 3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 113 20.460 3.609 4.197 1.00 0.00 H new ATOM 1804 N VAL A 114 18.609 7.041 0.969 1.00 0.00 N ATOM 1805 CA VAL A 114 19.124 7.617 -0.266 1.00 0.00 C ATOM 1806 C VAL A 114 20.384 8.447 -0.004 1.00 0.00 C ATOM 1807 O VAL A 114 21.433 8.150 -0.575 1.00 0.00 O ATOM 1808 CB VAL A 114 18.070 8.472 -1.005 1.00 0.00 C ATOM 1809 CG1 VAL A 114 18.633 9.017 -2.310 1.00 0.00 C ATOM 1810 CG2 VAL A 114 16.809 7.662 -1.271 1.00 0.00 C ATOM 0 H VAL A 114 17.677 7.362 1.230 1.00 0.00 H new ATOM 0 HA VAL A 114 19.379 6.778 -0.914 1.00 0.00 H new ATOM 0 HB VAL A 114 17.811 9.314 -0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 114 17.873 9.615 -2.812 1.00 0.00 H new ATOM 0 HG12 VAL A 114 19.503 9.638 -2.099 1.00 0.00 H new ATOM 0 HG13 VAL A 114 18.926 8.188 -2.954 1.00 0.00 H new ATOM 0 HG21 VAL A 114 16.081 8.283 -1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 114 17.055 6.797 -1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 114 16.387 7.324 -0.324 1.00 0.00 H new ATOM 1820 N PRO A 115 20.320 9.485 0.869 1.00 0.00 N ATOM 1821 CA PRO A 115 21.495 10.300 1.202 1.00 0.00 C ATOM 1822 C PRO A 115 22.583 9.484 1.892 1.00 0.00 C ATOM 1823 O PRO A 115 23.770 9.754 1.728 1.00 0.00 O ATOM 1824 CB PRO A 115 20.951 11.376 2.149 1.00 0.00 C ATOM 1825 CG PRO A 115 19.670 10.825 2.671 1.00 0.00 C ATOM 1826 CD PRO A 115 19.114 9.963 1.575 1.00 0.00 C ATOM 0 HA PRO A 115 21.963 10.712 0.308 1.00 0.00 H new ATOM 0 HB2 PRO A 115 21.652 11.578 2.959 1.00 0.00 H new ATOM 0 HB3 PRO A 115 20.790 12.318 1.624 1.00 0.00 H new ATOM 0 HG2 PRO A 115 19.836 10.244 3.578 1.00 0.00 H new ATOM 0 HG3 PRO A 115 18.976 11.626 2.928 1.00 0.00 H new ATOM 0 HD2 PRO A 115 18.527 9.135 1.974 1.00 0.00 H new ATOM 0 HD3 PRO A 115 18.458 10.528 0.913 1.00 0.00 H new ATOM 1834 N LYS A 116 22.166 8.480 2.655 1.00 0.00 N ATOM 1835 CA LYS A 116 23.104 7.598 3.341 1.00 0.00 C ATOM 1836 C LYS A 116 23.990 6.879 2.334 1.00 0.00 C ATOM 1837 O LYS A 116 25.220 6.908 2.425 1.00 0.00 O ATOM 1838 CB LYS A 116 22.342 6.575 4.182 1.00 0.00 C ATOM 1839 CG LYS A 116 22.910 6.388 5.575 1.00 0.00 C ATOM 1840 CD LYS A 116 22.007 7.003 6.630 1.00 0.00 C ATOM 1841 CE LYS A 116 22.751 7.222 7.931 1.00 0.00 C ATOM 1842 NZ LYS A 116 22.049 6.597 9.077 1.00 0.00 N ATOM 0 H LYS A 116 21.184 8.256 2.814 1.00 0.00 H new ATOM 0 HA LYS A 116 23.733 8.202 3.995 1.00 0.00 H new ATOM 0 HB2 LYS A 116 21.301 6.887 4.263 1.00 0.00 H new ATOM 0 HB3 LYS A 116 22.348 5.616 3.665 1.00 0.00 H new ATOM 0 HG2 LYS A 116 23.037 5.325 5.778 1.00 0.00 H new ATOM 0 HG3 LYS A 116 23.899 6.843 5.630 1.00 0.00 H new ATOM 0 HD2 LYS A 116 21.616 7.954 6.268 1.00 0.00 H new ATOM 0 HD3 LYS A 116 21.151 6.351 6.804 1.00 0.00 H new ATOM 0 HE2 LYS A 116 23.756 6.807 7.850 1.00 0.00 H new ATOM 0 HE3 LYS A 116 22.861 8.291 8.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 22.588 6.768 9.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 21.099 7.011 9.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 21.966 5.573 8.917 1.00 0.00 H new ATOM 1856 N ARG A 117 23.352 6.254 1.356 1.00 0.00 N ATOM 1857 CA ARG A 117 24.065 5.543 0.309 1.00 0.00 C ATOM 1858 C ARG A 117 24.776 6.523 -0.614 1.00 0.00 C ATOM 1859 O ARG A 117 25.868 6.239 -1.102 1.00 0.00 O ATOM 1860 CB ARG A 117 23.092 4.651 -0.473 1.00 0.00 C ATOM 1861 CG ARG A 117 23.703 3.971 -1.688 1.00 0.00 C ATOM 1862 CD ARG A 117 24.740 2.933 -1.290 1.00 0.00 C ATOM 1863 NE ARG A 117 24.675 1.740 -2.130 1.00 0.00 N ATOM 1864 CZ ARG A 117 24.659 0.498 -1.647 1.00 0.00 C ATOM 1865 NH1 ARG A 117 24.683 0.295 -0.336 1.00 0.00 N ATOM 1866 NH2 ARG A 117 24.617 -0.539 -2.475 1.00 0.00 N ATOM 0 H ARG A 117 22.336 6.226 1.267 1.00 0.00 H new ATOM 0 HA ARG A 117 24.824 4.907 0.765 1.00 0.00 H new ATOM 0 HB2 ARG A 117 22.700 3.886 0.198 1.00 0.00 H new ATOM 0 HB3 ARG A 117 22.245 5.255 -0.797 1.00 0.00 H new ATOM 0 HG2 ARG A 117 22.916 3.494 -2.272 1.00 0.00 H new ATOM 0 HG3 ARG A 117 24.166 4.720 -2.330 1.00 0.00 H new ATOM 0 HD2 ARG A 117 25.736 3.371 -1.360 1.00 0.00 H new ATOM 0 HD3 ARG A 117 24.588 2.651 -0.248 1.00 0.00 H new ATOM 0 HE ARG A 117 24.640 1.864 -3.142 1.00 0.00 H new ATOM 0 HH11 ARG A 117 24.714 1.090 0.303 1.00 0.00 H new ATOM 0 HH12 ARG A 117 24.671 -0.656 0.033 1.00 0.00 H new ATOM 0 HH21 ARG A 117 24.597 -0.386 -3.483 1.00 0.00 H new ATOM 0 HH22 ARG A 117 24.605 -1.489 -2.103 1.00 0.00 H new ATOM 1880 N ASP A 118 24.167 7.679 -0.821 1.00 0.00 N ATOM 1881 CA ASP A 118 24.752 8.719 -1.666 1.00 0.00 C ATOM 1882 C ASP A 118 26.065 9.195 -1.067 1.00 0.00 C ATOM 1883 O ASP A 118 27.022 9.501 -1.783 1.00 0.00 O ATOM 1884 CB ASP A 118 23.789 9.902 -1.793 1.00 0.00 C ATOM 1885 CG ASP A 118 23.372 10.167 -3.226 1.00 0.00 C ATOM 1886 OD1 ASP A 118 23.967 9.572 -4.144 1.00 0.00 O ATOM 1887 OD2 ASP A 118 22.424 10.956 -3.432 1.00 0.00 O ATOM 0 H ASP A 118 23.264 7.926 -0.416 1.00 0.00 H new ATOM 0 HA ASP A 118 24.936 8.302 -2.656 1.00 0.00 H new ATOM 0 HB2 ASP A 118 22.901 9.709 -1.191 1.00 0.00 H new ATOM 0 HB3 ASP A 118 24.262 10.795 -1.386 1.00 0.00 H new ATOM 1892 N HIS A 119 26.115 9.209 0.258 1.00 0.00 N ATOM 1893 CA HIS A 119 27.283 9.698 0.971 1.00 0.00 C ATOM 1894 C HIS A 119 28.422 8.706 0.842 1.00 0.00 C ATOM 1895 O HIS A 119 29.561 9.089 0.578 1.00 0.00 O ATOM 1896 CB HIS A 119 26.961 9.941 2.449 1.00 0.00 C ATOM 1897 CG HIS A 119 28.079 10.601 3.192 1.00 0.00 C ATOM 1898 ND1 HIS A 119 28.134 11.953 3.429 1.00 0.00 N ATOM 1899 CD2 HIS A 119 29.207 10.082 3.726 1.00 0.00 C ATOM 1900 CE1 HIS A 119 29.252 12.239 4.070 1.00 0.00 C ATOM 1901 NE2 HIS A 119 29.925 11.119 4.263 1.00 0.00 N ATOM 0 H HIS A 119 25.358 8.886 0.860 1.00 0.00 H new ATOM 0 HA HIS A 119 27.583 10.647 0.527 1.00 0.00 H new ATOM 0 HB2 HIS A 119 26.068 10.561 2.523 1.00 0.00 H new ATOM 0 HB3 HIS A 119 26.728 8.989 2.925 1.00 0.00 H new ATOM 0 HD2 HIS A 119 29.491 9.040 3.729 1.00 0.00 H new ATOM 0 HE1 HIS A 119 29.564 13.224 4.384 1.00 0.00 H new ATOM 0 HE2 HIS A 119 30.827 11.039 4.733 1.00 0.00 H new ATOM 1910 N ALA A 120 28.103 7.434 1.019 1.00 0.00 N ATOM 1911 CA ALA A 120 29.100 6.380 0.947 1.00 0.00 C ATOM 1912 C ALA A 120 29.693 6.283 -0.453 1.00 0.00 C ATOM 1913 O ALA A 120 30.890 6.060 -0.614 1.00 0.00 O ATOM 1914 CB ALA A 120 28.493 5.049 1.365 1.00 0.00 C ATOM 0 H ALA A 120 27.157 7.106 1.214 1.00 0.00 H new ATOM 0 HA ALA A 120 29.907 6.627 1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 120 29.252 4.269 1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 120 28.126 5.122 2.389 1.00 0.00 H new ATOM 0 HB3 ALA A 120 27.666 4.802 0.700 1.00 0.00 H new ATOM 1920 N LEU A 121 28.853 6.483 -1.461 1.00 0.00 N ATOM 1921 CA LEU A 121 29.281 6.372 -2.849 1.00 0.00 C ATOM 1922 C LEU A 121 30.194 7.528 -3.243 1.00 0.00 C ATOM 1923 O LEU A 121 31.286 7.317 -3.774 1.00 0.00 O ATOM 1924 CB LEU A 121 28.063 6.329 -3.774 1.00 0.00 C ATOM 1925 CG LEU A 121 27.188 5.082 -3.636 1.00 0.00 C ATOM 1926 CD1 LEU A 121 25.808 5.335 -4.220 1.00 0.00 C ATOM 1927 CD2 LEU A 121 27.848 3.891 -4.313 1.00 0.00 C ATOM 0 H LEU A 121 27.869 6.724 -1.342 1.00 0.00 H new ATOM 0 HA LEU A 121 29.846 5.445 -2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 121 27.448 7.208 -3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 121 28.407 6.400 -4.806 1.00 0.00 H new ATOM 0 HG LEU A 121 27.075 4.853 -2.576 1.00 0.00 H new ATOM 0 HD11 LEU A 121 25.198 4.438 -4.114 1.00 0.00 H new ATOM 0 HD12 LEU A 121 25.334 6.161 -3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 121 25.901 5.588 -5.276 1.00 0.00 H new ATOM 0 HD21 LEU A 121 27.212 3.013 -4.205 1.00 0.00 H new ATOM 0 HD22 LEU A 121 27.991 4.108 -5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 121 28.815 3.698 -3.848 1.00 0.00 H new ATOM 1939 N LEU A 122 29.759 8.750 -2.959 1.00 0.00 N ATOM 1940 CA LEU A 122 30.502 9.942 -3.365 1.00 0.00 C ATOM 1941 C LEU A 122 31.700 10.202 -2.455 1.00 0.00 C ATOM 1942 O LEU A 122 32.424 11.178 -2.634 1.00 0.00 O ATOM 1943 CB LEU A 122 29.582 11.164 -3.386 1.00 0.00 C ATOM 1944 CG LEU A 122 29.024 11.544 -4.765 1.00 0.00 C ATOM 1945 CD1 LEU A 122 30.123 11.510 -5.824 1.00 0.00 C ATOM 1946 CD2 LEU A 122 27.878 10.619 -5.152 1.00 0.00 C ATOM 0 H LEU A 122 28.897 8.944 -2.450 1.00 0.00 H new ATOM 0 HA LEU A 122 30.882 9.762 -4.371 1.00 0.00 H new ATOM 0 HB2 LEU A 122 28.745 10.979 -2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 122 30.130 12.017 -2.987 1.00 0.00 H new ATOM 0 HG LEU A 122 28.640 12.562 -4.707 1.00 0.00 H new ATOM 0 HD11 LEU A 122 29.704 11.783 -6.792 1.00 0.00 H new ATOM 0 HD12 LEU A 122 30.908 12.217 -5.556 1.00 0.00 H new ATOM 0 HD13 LEU A 122 30.543 10.506 -5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 122 27.496 10.904 -6.132 1.00 0.00 H new ATOM 0 HD22 LEU A 122 28.237 9.590 -5.187 1.00 0.00 H new ATOM 0 HD23 LEU A 122 27.080 10.700 -4.414 1.00 0.00 H new ATOM 1958 N GLU A 123 31.893 9.340 -1.471 1.00 0.00 N ATOM 1959 CA GLU A 123 33.084 9.396 -0.636 1.00 0.00 C ATOM 1960 C GLU A 123 34.047 8.285 -1.037 1.00 0.00 C ATOM 1961 O GLU A 123 35.224 8.302 -0.677 1.00 0.00 O ATOM 1962 CB GLU A 123 32.709 9.259 0.844 1.00 0.00 C ATOM 1963 CG GLU A 123 33.541 10.134 1.766 1.00 0.00 C ATOM 1964 CD GLU A 123 32.695 10.932 2.741 1.00 0.00 C ATOM 1965 OE1 GLU A 123 32.148 11.981 2.343 1.00 0.00 O ATOM 1966 OE2 GLU A 123 32.572 10.518 3.910 1.00 0.00 O ATOM 0 H GLU A 123 31.242 8.593 -1.230 1.00 0.00 H new ATOM 0 HA GLU A 123 33.569 10.361 -0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 123 31.656 9.513 0.968 1.00 0.00 H new ATOM 0 HB3 GLU A 123 32.824 8.217 1.144 1.00 0.00 H new ATOM 0 HG2 GLU A 123 34.237 9.507 2.324 1.00 0.00 H new ATOM 0 HG3 GLU A 123 34.140 10.819 1.166 1.00 0.00 H new ATOM 1973 N GLU A 124 33.538 7.336 -1.812 1.00 0.00 N ATOM 1974 CA GLU A 124 34.301 6.162 -2.186 1.00 0.00 C ATOM 1975 C GLU A 124 34.817 6.268 -3.614 1.00 0.00 C ATOM 1976 O GLU A 124 35.995 6.026 -3.876 1.00 0.00 O ATOM 1977 CB GLU A 124 33.428 4.914 -2.054 1.00 0.00 C ATOM 1978 CG GLU A 124 33.711 4.068 -0.821 1.00 0.00 C ATOM 1979 CD GLU A 124 34.923 4.533 -0.042 1.00 0.00 C ATOM 1980 OE1 GLU A 124 36.056 4.190 -0.439 1.00 0.00 O ATOM 1981 OE2 GLU A 124 34.744 5.220 0.985 1.00 0.00 O ATOM 0 H GLU A 124 32.593 7.361 -2.194 1.00 0.00 H new ATOM 0 HA GLU A 124 35.157 6.090 -1.516 1.00 0.00 H new ATOM 0 HB2 GLU A 124 32.382 5.219 -2.036 1.00 0.00 H new ATOM 0 HB3 GLU A 124 33.565 4.296 -2.941 1.00 0.00 H new ATOM 0 HG2 GLU A 124 32.839 4.087 -0.168 1.00 0.00 H new ATOM 0 HG3 GLU A 124 33.859 3.032 -1.126 1.00 0.00 H new ATOM 1988 N GLN A 125 33.932 6.633 -4.536 1.00 0.00 N ATOM 1989 CA GLN A 125 34.276 6.656 -5.953 1.00 0.00 C ATOM 1990 C GLN A 125 35.297 7.743 -6.268 1.00 0.00 C ATOM 1991 O GLN A 125 35.989 7.681 -7.284 1.00 0.00 O ATOM 1992 CB GLN A 125 33.014 6.824 -6.807 1.00 0.00 C ATOM 1993 CG GLN A 125 32.686 8.264 -7.185 1.00 0.00 C ATOM 1994 CD GLN A 125 32.247 8.401 -8.631 1.00 0.00 C ATOM 1995 OE1 GLN A 125 32.542 9.395 -9.290 1.00 0.00 O ATOM 1996 NE2 GLN A 125 31.535 7.406 -9.134 1.00 0.00 N ATOM 0 H GLN A 125 32.974 6.916 -4.328 1.00 0.00 H new ATOM 0 HA GLN A 125 34.737 5.700 -6.199 1.00 0.00 H new ATOM 0 HB2 GLN A 125 33.130 6.241 -7.720 1.00 0.00 H new ATOM 0 HB3 GLN A 125 32.167 6.403 -6.265 1.00 0.00 H new ATOM 0 HG2 GLN A 125 31.896 8.636 -6.532 1.00 0.00 H new ATOM 0 HG3 GLN A 125 33.562 8.889 -7.014 1.00 0.00 H new ATOM 0 HE21 GLN A 125 31.310 6.597 -8.556 1.00 0.00 H new ATOM 0 HE22 GLN A 125 31.211 7.448 -10.100 1.00 0.00 H new ATOM 2005 N SER A 126 35.405 8.725 -5.388 1.00 0.00 N ATOM 2006 CA SER A 126 36.368 9.800 -5.568 1.00 0.00 C ATOM 2007 C SER A 126 37.782 9.321 -5.244 1.00 0.00 C ATOM 2008 O SER A 126 38.766 9.915 -5.684 1.00 0.00 O ATOM 2009 CB SER A 126 35.982 10.978 -4.683 1.00 0.00 C ATOM 2010 OG SER A 126 34.641 10.842 -4.247 1.00 0.00 O ATOM 0 H SER A 126 34.839 8.800 -4.543 1.00 0.00 H new ATOM 0 HA SER A 126 36.357 10.118 -6.611 1.00 0.00 H new ATOM 0 HB2 SER A 126 36.649 11.030 -3.822 1.00 0.00 H new ATOM 0 HB3 SER A 126 36.100 11.911 -5.234 1.00 0.00 H new ATOM 0 HG SER A 126 34.527 11.304 -3.390 1.00 0.00 H new ATOM 2016 N LYS A 127 37.878 8.234 -4.489 1.00 0.00 N ATOM 2017 CA LYS A 127 39.166 7.660 -4.134 1.00 0.00 C ATOM 2018 C LYS A 127 39.564 6.585 -5.139 1.00 0.00 C ATOM 2019 O LYS A 127 40.573 5.893 -4.965 1.00 0.00 O ATOM 2020 CB LYS A 127 39.122 7.073 -2.725 1.00 0.00 C ATOM 2021 CG LYS A 127 40.161 7.673 -1.799 1.00 0.00 C ATOM 2022 CD LYS A 127 39.546 8.105 -0.484 1.00 0.00 C ATOM 2023 CE LYS A 127 40.424 7.717 0.691 1.00 0.00 C ATOM 2024 NZ LYS A 127 41.312 8.831 1.111 1.00 0.00 N ATOM 0 H LYS A 127 37.075 7.732 -4.110 1.00 0.00 H new ATOM 0 HA LYS A 127 39.913 8.454 -4.156 1.00 0.00 H new ATOM 0 HB2 LYS A 127 38.130 7.234 -2.302 1.00 0.00 H new ATOM 0 HB3 LYS A 127 39.274 5.995 -2.782 1.00 0.00 H new ATOM 0 HG2 LYS A 127 40.948 6.943 -1.612 1.00 0.00 H new ATOM 0 HG3 LYS A 127 40.630 8.530 -2.282 1.00 0.00 H new ATOM 0 HD2 LYS A 127 39.397 9.185 -0.488 1.00 0.00 H new ATOM 0 HD3 LYS A 127 38.563 7.647 -0.372 1.00 0.00 H new ATOM 0 HE2 LYS A 127 39.796 7.417 1.530 1.00 0.00 H new ATOM 0 HE3 LYS A 127 41.030 6.852 0.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 41.895 8.525 1.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 41.929 9.100 0.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 40.734 9.648 1.393 1.00 0.00 H new ATOM 2038 N GLN A 128 38.759 6.448 -6.181 1.00 0.00 N ATOM 2039 CA GLN A 128 39.031 5.505 -7.249 1.00 0.00 C ATOM 2040 C GLN A 128 39.977 6.124 -8.274 1.00 0.00 C ATOM 2041 O GLN A 128 41.021 6.672 -7.921 1.00 0.00 O ATOM 2042 CB GLN A 128 37.719 5.092 -7.913 1.00 0.00 C ATOM 2043 CG GLN A 128 37.190 3.768 -7.417 1.00 0.00 C ATOM 2044 CD GLN A 128 37.766 2.599 -8.170 1.00 0.00 C ATOM 2045 OE1 GLN A 128 38.234 2.738 -9.298 1.00 0.00 O ATOM 2046 NE2 GLN A 128 37.739 1.442 -7.546 1.00 0.00 N ATOM 0 H GLN A 128 37.902 6.986 -6.308 1.00 0.00 H new ATOM 0 HA GLN A 128 39.512 4.620 -6.832 1.00 0.00 H new ATOM 0 HB2 GLN A 128 36.971 5.864 -7.735 1.00 0.00 H new ATOM 0 HB3 GLN A 128 37.868 5.035 -8.991 1.00 0.00 H new ATOM 0 HG2 GLN A 128 37.420 3.662 -6.357 1.00 0.00 H new ATOM 0 HG3 GLN A 128 36.104 3.756 -7.510 1.00 0.00 H new ATOM 0 HE21 GLN A 128 37.340 1.377 -6.610 1.00 0.00 H new ATOM 0 HE22 GLN A 128 38.117 0.610 -7.998 1.00 0.00 H new ATOM 2055 N GLN A 129 39.610 6.035 -9.537 1.00 0.00 N ATOM 2056 CA GLN A 129 40.389 6.639 -10.601 1.00 0.00 C ATOM 2057 C GLN A 129 39.537 7.662 -11.328 1.00 0.00 C ATOM 2058 O GLN A 129 40.101 8.573 -11.965 1.00 0.00 O ATOM 2059 CB GLN A 129 40.899 5.573 -11.573 1.00 0.00 C ATOM 2060 CG GLN A 129 39.910 4.451 -11.843 1.00 0.00 C ATOM 2061 CD GLN A 129 40.582 3.099 -11.948 1.00 0.00 C ATOM 2062 OE1 GLN A 129 41.483 2.901 -12.762 1.00 0.00 O ATOM 2063 NE2 GLN A 129 40.156 2.157 -11.125 1.00 0.00 N ATOM 2064 OXT GLN A 129 38.300 7.550 -11.253 1.00 0.00 O ATOM 0 H GLN A 129 38.772 5.547 -9.853 1.00 0.00 H new ATOM 0 HA GLN A 129 41.257 7.137 -10.169 1.00 0.00 H new ATOM 0 HB2 GLN A 129 41.155 6.052 -12.518 1.00 0.00 H new ATOM 0 HB3 GLN A 129 41.818 5.144 -11.174 1.00 0.00 H new ATOM 0 HG2 GLN A 129 39.169 4.424 -11.044 1.00 0.00 H new ATOM 0 HG3 GLN A 129 39.373 4.659 -12.768 1.00 0.00 H new ATOM 0 HE21 GLN A 129 39.406 2.359 -10.463 1.00 0.00 H new ATOM 0 HE22 GLN A 129 40.577 1.228 -11.151 1.00 0.00 H new