USER MOD reduce.3.24.130724 H: found=0, std=0, add=990, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 990 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 113 TYR OH : rot 54:sc= 1.67 USER MOD Set 1.2: A 116 LYS NZ :NH3+ -177:sc= 1.21 (180deg=0) USER MOD Set 1.3: A 119 ASN : amide:sc= -1.65! X(o=1.2!,f=1.6) USER MOD Set 2.1: A 64 LYS NZ :NH3+ -177:sc= 1.24 (180deg=0) USER MOD Set 2.2: A 68 ASN : amide:sc= -2.86! C(o=-1.6!,f=-6.2!) USER MOD Single : A 8 HIS : no HE2:sc= -1.66! C(o=-1.7!,f=-3.6!) USER MOD Single : A 9 LYS NZ :NH3+ -117:sc= -0.527! (180deg=-0.822!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -2.22! USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -129:sc= -1.27 (180deg=-3.83!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 176:sc= 1.24 (180deg=1.04) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 MET CE :methyl 146:sc= -0.0205 (180deg=-2.1) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 153:sc= -2.78! USER MOD Single : A 59 SER OG : rot 118:sc= 0.777 USER MOD Single : A 62 THR OG1 : rot 78:sc= 0.816 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -166:sc= -3.01 (180deg=-3.42) USER MOD Single : A 70 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.022) USER MOD Single : A 71 LYS NZ :NH3+ 174:sc= 0.929 (180deg=0.903) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -1.66! K(o=-1.7!,f=-0.087) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 179:sc= 2.02 (180deg=2.01) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 59:sc= -1.61! USER MOD Single : A 93 TYR OH : rot 98:sc= 0.408 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 MET CE :methyl 155:sc= -0.0871 (180deg=-1.71) USER MOD Single : A 100 ASN : amide:sc= 0.0818 K(o=0.082,f=-7.5!) USER MOD Single : A 106 GLN : amide:sc= -1.04 K(o=-1,f=-0.13) USER MOD Single : A 110 LYS NZ :NH3+ -113:sc= 1.19 (180deg=0.0333) USER MOD Single : A 115 TYR OH : rot 135:sc= 0.023 USER MOD Single : A 118 ASN : amide:sc= -9.18! C(o=-9.2!,f=-18!) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.0834 USER MOD Single : A 121 HIS : no HD1:sc= -0.115 X(o=-0.12,f=-0.0031) USER MOD Single : A 123 GLN : amide:sc= -3.02! K(o=-3!,f=0.087) USER MOD Single : A 127 LYS NZ :NH3+ 166:sc= -0.02 (180deg=-0.216) USER MOD Single : A 131 GLN : amide:sc= -3.72! K(o=-3.7!,f=-0.64) USER MOD Single : A 133 LYS NZ :NH3+ 178:sc= 1.24 (180deg=1.2) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ -173:sc= 0.329 (180deg=0.192) USER MOD Single : A 138 ASN : amide:sc= -0.0988 X(o=-0.099,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 115 N HIS A 8 -13.567 6.696 0.382 1.00 0.00 N ATOM 116 CA HIS A 8 -14.376 5.815 1.155 1.00 0.00 C ATOM 117 C HIS A 8 -13.629 4.642 1.723 1.00 0.00 C ATOM 118 O HIS A 8 -13.043 3.832 1.002 1.00 0.00 O ATOM 119 CB HIS A 8 -15.631 5.387 0.397 1.00 0.00 C ATOM 120 CG HIS A 8 -15.449 4.546 -0.859 1.00 0.00 C ATOM 121 ND1 HIS A 8 -16.386 3.639 -1.317 1.00 0.00 N ATOM 122 CD2 HIS A 8 -14.429 4.497 -1.753 1.00 0.00 C ATOM 123 CE1 HIS A 8 -15.925 3.090 -2.434 1.00 0.00 C ATOM 124 NE2 HIS A 8 -14.737 3.573 -2.750 1.00 0.00 N ATOM 0 HA HIS A 8 -14.695 6.395 2.021 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -16.264 4.828 1.086 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -16.179 6.288 0.121 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -17.279 3.428 -0.872 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -13.522 5.081 -1.700 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -16.453 2.345 -3.010 1.00 0.00 H new ATOM 132 N LYS A 9 -13.623 4.601 3.015 1.00 0.00 N ATOM 133 CA LYS A 9 -13.043 3.544 3.764 1.00 0.00 C ATOM 134 C LYS A 9 -13.958 2.322 3.671 1.00 0.00 C ATOM 135 O LYS A 9 -15.174 2.452 3.767 1.00 0.00 O ATOM 136 CB LYS A 9 -12.929 3.982 5.205 1.00 0.00 C ATOM 137 CG LYS A 9 -11.708 3.469 5.907 1.00 0.00 C ATOM 138 CD LYS A 9 -10.438 4.130 5.379 1.00 0.00 C ATOM 139 CE LYS A 9 -10.437 5.651 5.626 1.00 0.00 C ATOM 140 NZ LYS A 9 -9.148 6.313 5.270 1.00 0.00 N ATOM 0 H LYS A 9 -14.038 5.330 3.595 1.00 0.00 H new ATOM 0 HA LYS A 9 -12.055 3.294 3.376 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.926 5.071 5.243 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.814 3.647 5.746 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.798 3.655 6.977 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.639 2.389 5.776 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.569 3.683 5.861 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.345 3.936 4.311 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.241 6.105 5.047 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.655 5.840 6.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.723 6.728 6.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.497 5.610 4.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.324 7.063 4.572 1.00 0.00 H new ATOM 154 N GLU A 10 -13.380 1.167 3.534 1.00 0.00 N ATOM 155 CA GLU A 10 -14.097 -0.078 3.322 1.00 0.00 C ATOM 156 C GLU A 10 -13.304 -1.183 3.955 1.00 0.00 C ATOM 157 O GLU A 10 -12.142 -0.970 4.263 1.00 0.00 O ATOM 158 CB GLU A 10 -14.219 -0.357 1.824 1.00 0.00 C ATOM 159 CG GLU A 10 -15.303 0.421 1.095 1.00 0.00 C ATOM 160 CD GLU A 10 -16.702 -0.043 1.452 1.00 0.00 C ATOM 161 OE1 GLU A 10 -17.229 0.319 2.525 1.00 0.00 O ATOM 162 OE2 GLU A 10 -17.317 -0.754 0.642 1.00 0.00 O ATOM 0 H GLU A 10 -12.367 1.049 3.566 1.00 0.00 H new ATOM 0 HA GLU A 10 -15.094 -0.013 3.758 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.261 -0.138 1.353 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.406 -1.422 1.685 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -15.205 1.480 1.332 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -15.155 0.320 0.020 1.00 0.00 H new ATOM 169 N PRO A 11 -13.894 -2.353 4.189 1.00 0.00 N ATOM 170 CA PRO A 11 -13.189 -3.467 4.751 1.00 0.00 C ATOM 171 C PRO A 11 -12.683 -4.447 3.691 1.00 0.00 C ATOM 172 O PRO A 11 -13.280 -4.611 2.608 1.00 0.00 O ATOM 173 CB PRO A 11 -14.248 -4.145 5.626 1.00 0.00 C ATOM 174 CG PRO A 11 -15.551 -3.494 5.250 1.00 0.00 C ATOM 175 CD PRO A 11 -15.294 -2.690 4.012 1.00 0.00 C ATOM 0 HA PRO A 11 -12.297 -3.147 5.289 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -14.279 -5.219 5.445 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -14.030 -4.006 6.685 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -16.320 -4.245 5.070 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.911 -2.856 6.057 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.468 -3.265 3.103 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -15.928 -1.805 3.956 1.00 0.00 H new ATOM 183 N ALA A 12 -11.600 -5.083 4.013 1.00 0.00 N ATOM 184 CA ALA A 12 -10.987 -6.071 3.200 1.00 0.00 C ATOM 185 C ALA A 12 -10.369 -7.117 4.104 1.00 0.00 C ATOM 186 O ALA A 12 -10.027 -6.835 5.247 1.00 0.00 O ATOM 187 CB ALA A 12 -9.935 -5.427 2.320 1.00 0.00 C ATOM 0 H ALA A 12 -11.103 -4.916 4.888 1.00 0.00 H new ATOM 0 HA ALA A 12 -11.724 -6.545 2.552 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.466 -6.188 1.697 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.403 -4.675 1.684 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.178 -4.953 2.945 1.00 0.00 H new ATOM 193 N THR A 13 -10.281 -8.316 3.632 1.00 0.00 N ATOM 194 CA THR A 13 -9.678 -9.371 4.419 1.00 0.00 C ATOM 195 C THR A 13 -8.458 -9.904 3.692 1.00 0.00 C ATOM 196 O THR A 13 -8.469 -10.007 2.483 1.00 0.00 O ATOM 197 CB THR A 13 -10.679 -10.512 4.675 1.00 0.00 C ATOM 198 OG1 THR A 13 -11.907 -9.960 5.164 1.00 0.00 O ATOM 199 CG2 THR A 13 -10.125 -11.484 5.704 1.00 0.00 C ATOM 0 H THR A 13 -10.614 -8.602 2.711 1.00 0.00 H new ATOM 0 HA THR A 13 -9.382 -8.961 5.385 1.00 0.00 H new ATOM 0 HB THR A 13 -10.852 -11.046 3.741 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.549 -10.683 5.327 1.00 0.00 H new ATOM 0 HG21 THR A 13 -10.845 -12.284 5.873 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.190 -11.908 5.337 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.942 -10.957 6.640 1.00 0.00 H new ATOM 207 N LEU A 14 -7.411 -10.208 4.412 1.00 0.00 N ATOM 208 CA LEU A 14 -6.204 -10.705 3.809 1.00 0.00 C ATOM 209 C LEU A 14 -6.388 -12.093 3.214 1.00 0.00 C ATOM 210 O LEU A 14 -6.761 -13.045 3.907 1.00 0.00 O ATOM 211 CB LEU A 14 -5.026 -10.633 4.811 1.00 0.00 C ATOM 212 CG LEU A 14 -3.617 -11.111 4.349 1.00 0.00 C ATOM 213 CD1 LEU A 14 -3.381 -12.587 4.609 1.00 0.00 C ATOM 214 CD2 LEU A 14 -3.366 -10.778 2.882 1.00 0.00 C ATOM 0 H LEU A 14 -7.371 -10.119 5.427 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.956 -10.057 2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.933 -9.597 5.137 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.302 -11.219 5.688 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.899 -10.561 4.956 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.383 -12.862 4.266 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.466 -12.786 5.677 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.124 -13.175 4.070 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.374 -11.126 2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.117 -11.270 2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.428 -9.699 2.738 1.00 0.00 H new ATOM 226 N ILE A 15 -6.180 -12.175 1.919 1.00 0.00 N ATOM 227 CA ILE A 15 -6.175 -13.424 1.230 1.00 0.00 C ATOM 228 C ILE A 15 -4.745 -13.839 0.961 1.00 0.00 C ATOM 229 O ILE A 15 -4.331 -14.939 1.346 1.00 0.00 O ATOM 230 CB ILE A 15 -7.008 -13.387 -0.078 1.00 0.00 C ATOM 231 CG1 ILE A 15 -8.474 -13.096 0.267 1.00 0.00 C ATOM 232 CG2 ILE A 15 -6.881 -14.707 -0.850 1.00 0.00 C ATOM 233 CD1 ILE A 15 -9.394 -13.041 -0.922 1.00 0.00 C ATOM 0 H ILE A 15 -6.010 -11.367 1.321 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.655 -14.166 1.868 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.625 -12.595 -0.722 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.832 -13.864 0.953 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.528 -12.145 0.797 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.475 -14.653 -1.762 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.836 -14.879 -1.107 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.242 -15.527 -0.230 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.410 -12.831 -0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.065 -12.254 -1.600 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -9.375 -13.999 -1.442 1.00 0.00 H new ATOM 245 N LYS A 16 -3.963 -12.941 0.369 1.00 0.00 N ATOM 246 CA LYS A 16 -2.563 -13.256 0.044 1.00 0.00 C ATOM 247 C LYS A 16 -1.786 -12.019 -0.335 1.00 0.00 C ATOM 248 O LYS A 16 -2.135 -11.352 -1.270 1.00 0.00 O ATOM 249 CB LYS A 16 -2.474 -14.276 -1.123 1.00 0.00 C ATOM 250 CG LYS A 16 -1.051 -14.486 -1.644 1.00 0.00 C ATOM 251 CD LYS A 16 -0.988 -15.431 -2.833 1.00 0.00 C ATOM 252 CE LYS A 16 0.420 -15.444 -3.420 1.00 0.00 C ATOM 253 NZ LYS A 16 0.562 -16.394 -4.545 1.00 0.00 N ATOM 0 H LYS A 16 -4.262 -12.002 0.105 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.127 -13.690 0.944 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.875 -15.233 -0.790 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.106 -13.934 -1.943 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.629 -13.523 -1.930 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.430 -14.881 -0.840 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.270 -16.437 -2.523 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.704 -15.119 -3.593 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.675 -14.441 -3.762 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.133 -15.705 -2.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.537 -16.362 -4.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.346 -17.357 -4.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.097 -16.132 -5.306 1.00 0.00 H new ATOM 267 N ALA A 17 -0.735 -11.723 0.380 1.00 0.00 N ATOM 268 CA ALA A 17 0.130 -10.629 -0.009 1.00 0.00 C ATOM 269 C ALA A 17 0.979 -11.118 -1.135 1.00 0.00 C ATOM 270 O ALA A 17 1.589 -12.185 -1.027 1.00 0.00 O ATOM 271 CB ALA A 17 0.982 -10.156 1.136 1.00 0.00 C ATOM 0 H ALA A 17 -0.454 -12.215 1.228 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.470 -9.772 -0.316 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.616 -9.335 0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.342 -9.813 1.949 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.607 -10.977 1.488 1.00 0.00 H new ATOM 277 N ILE A 18 1.010 -10.395 -2.214 1.00 0.00 N ATOM 278 CA ILE A 18 1.672 -10.906 -3.371 1.00 0.00 C ATOM 279 C ILE A 18 3.086 -10.376 -3.497 1.00 0.00 C ATOM 280 O ILE A 18 4.046 -11.096 -3.224 1.00 0.00 O ATOM 281 CB ILE A 18 0.844 -10.680 -4.660 1.00 0.00 C ATOM 282 CG1 ILE A 18 -0.625 -11.097 -4.371 1.00 0.00 C ATOM 283 CG2 ILE A 18 1.443 -11.474 -5.823 1.00 0.00 C ATOM 284 CD1 ILE A 18 -1.494 -11.382 -5.567 1.00 0.00 C ATOM 0 H ILE A 18 0.594 -9.469 -2.316 1.00 0.00 H new ATOM 0 HA ILE A 18 1.754 -11.985 -3.238 1.00 0.00 H new ATOM 0 HB ILE A 18 0.866 -9.630 -4.951 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.609 -11.987 -3.742 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.096 -10.304 -3.789 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.850 -11.305 -6.722 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.468 -11.147 -5.997 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.438 -12.536 -5.579 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.493 -11.662 -5.233 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.557 -10.491 -6.192 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.062 -12.200 -6.144 1.00 0.00 H new ATOM 296 N ASP A 19 3.243 -9.122 -3.820 1.00 0.00 N ATOM 297 CA ASP A 19 4.629 -8.617 -4.045 1.00 0.00 C ATOM 298 C ASP A 19 4.940 -7.472 -3.160 1.00 0.00 C ATOM 299 O ASP A 19 5.931 -6.748 -3.344 1.00 0.00 O ATOM 300 CB ASP A 19 4.863 -8.170 -5.467 1.00 0.00 C ATOM 301 CG ASP A 19 4.925 -9.281 -6.509 1.00 0.00 C ATOM 302 OD1 ASP A 19 5.810 -10.176 -6.409 1.00 0.00 O ATOM 303 OD2 ASP A 19 4.121 -9.264 -7.465 1.00 0.00 O ATOM 0 H ASP A 19 2.494 -8.439 -3.936 1.00 0.00 H new ATOM 0 HA ASP A 19 5.280 -9.462 -3.821 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.067 -7.479 -5.747 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.798 -7.611 -5.503 1.00 0.00 H new ATOM 308 N GLY A 20 4.143 -7.331 -2.200 1.00 0.00 N ATOM 309 CA GLY A 20 4.193 -6.192 -1.352 1.00 0.00 C ATOM 310 C GLY A 20 3.258 -5.194 -1.915 1.00 0.00 C ATOM 311 O GLY A 20 2.128 -5.073 -1.476 1.00 0.00 O ATOM 0 H GLY A 20 3.416 -8.005 -1.959 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.908 -6.456 -0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.205 -5.790 -1.306 1.00 0.00 H new ATOM 315 N ASP A 21 3.671 -4.587 -2.997 1.00 0.00 N ATOM 316 CA ASP A 21 2.850 -3.652 -3.718 1.00 0.00 C ATOM 317 C ASP A 21 2.030 -4.385 -4.747 1.00 0.00 C ATOM 318 O ASP A 21 2.240 -4.300 -5.972 1.00 0.00 O ATOM 319 CB ASP A 21 3.649 -2.449 -4.238 1.00 0.00 C ATOM 320 CG ASP A 21 2.975 -1.578 -5.254 1.00 0.00 C ATOM 321 OD1 ASP A 21 1.766 -1.313 -5.149 1.00 0.00 O ATOM 322 OD2 ASP A 21 3.677 -1.141 -6.193 1.00 0.00 O ATOM 0 H ASP A 21 4.595 -4.730 -3.405 1.00 0.00 H new ATOM 0 HA ASP A 21 2.135 -3.190 -3.037 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.921 -1.828 -3.385 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.578 -2.820 -4.671 1.00 0.00 H new ATOM 327 N THR A 22 1.269 -5.300 -4.173 1.00 0.00 N ATOM 328 CA THR A 22 0.263 -6.135 -4.758 1.00 0.00 C ATOM 329 C THR A 22 -0.130 -7.140 -3.722 1.00 0.00 C ATOM 330 O THR A 22 0.747 -7.913 -3.224 1.00 0.00 O ATOM 331 CB THR A 22 0.661 -6.864 -6.044 1.00 0.00 C ATOM 332 OG1 THR A 22 2.075 -7.030 -6.121 1.00 0.00 O ATOM 333 CG2 THR A 22 0.104 -6.171 -7.279 1.00 0.00 C ATOM 0 H THR A 22 1.360 -5.488 -3.175 1.00 0.00 H new ATOM 0 HA THR A 22 -0.551 -5.477 -5.062 1.00 0.00 H new ATOM 0 HB THR A 22 0.215 -7.858 -6.013 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.305 -7.499 -6.950 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.408 -6.718 -8.171 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.984 -6.145 -7.222 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.489 -5.152 -7.329 1.00 0.00 H new ATOM 341 N VAL A 23 -1.402 -7.098 -3.342 1.00 0.00 N ATOM 342 CA VAL A 23 -1.937 -7.923 -2.255 1.00 0.00 C ATOM 343 C VAL A 23 -3.348 -8.378 -2.606 1.00 0.00 C ATOM 344 O VAL A 23 -4.138 -7.590 -3.014 1.00 0.00 O ATOM 345 CB VAL A 23 -2.109 -7.087 -0.958 1.00 0.00 C ATOM 346 CG1 VAL A 23 -2.369 -7.935 0.278 1.00 0.00 C ATOM 347 CG2 VAL A 23 -1.001 -6.105 -0.741 1.00 0.00 C ATOM 0 H VAL A 23 -2.096 -6.491 -3.777 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.243 -8.752 -2.114 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.014 -6.502 -1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.479 -7.287 1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.283 -8.512 0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.531 -8.614 0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.180 -5.552 0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.053 -6.637 -0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.962 -5.409 -1.579 1.00 0.00 H new ATOM 357 N LYS A 24 -3.663 -9.606 -2.401 1.00 0.00 N ATOM 358 CA LYS A 24 -5.007 -10.068 -2.602 1.00 0.00 C ATOM 359 C LYS A 24 -5.769 -9.962 -1.360 1.00 0.00 C ATOM 360 O LYS A 24 -5.432 -10.638 -0.336 1.00 0.00 O ATOM 361 CB LYS A 24 -5.142 -11.484 -3.134 1.00 0.00 C ATOM 362 CG LYS A 24 -5.076 -11.575 -4.631 1.00 0.00 C ATOM 363 CD LYS A 24 -5.231 -12.996 -5.131 1.00 0.00 C ATOM 364 CE LYS A 24 -6.590 -13.623 -4.768 1.00 0.00 C ATOM 365 NZ LYS A 24 -6.744 -14.966 -5.361 1.00 0.00 N ATOM 0 H LYS A 24 -3.007 -10.323 -2.091 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.403 -9.414 -3.379 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.351 -12.100 -2.706 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.090 -11.901 -2.795 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.859 -10.953 -5.065 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.123 -11.174 -4.975 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.111 -13.008 -6.214 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.432 -13.610 -4.715 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.682 -13.690 -3.684 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.395 -12.976 -5.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.670 -15.358 -5.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.680 -14.898 -6.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.990 -15.590 -5.008 1.00 0.00 H new ATOM 379 N LEU A 25 -6.754 -9.122 -1.405 1.00 0.00 N ATOM 380 CA LEU A 25 -7.638 -8.956 -0.306 1.00 0.00 C ATOM 381 C LEU A 25 -9.067 -9.301 -0.717 1.00 0.00 C ATOM 382 O LEU A 25 -9.420 -9.245 -1.895 1.00 0.00 O ATOM 383 CB LEU A 25 -7.572 -7.527 0.216 1.00 0.00 C ATOM 384 CG LEU A 25 -6.200 -7.025 0.660 1.00 0.00 C ATOM 385 CD1 LEU A 25 -6.263 -5.565 1.002 1.00 0.00 C ATOM 386 CD2 LEU A 25 -5.692 -7.813 1.846 1.00 0.00 C ATOM 0 H LEU A 25 -6.965 -8.532 -2.210 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.330 -9.633 0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.942 -6.862 -0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.256 -7.440 1.060 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.506 -7.166 -0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.277 -5.222 1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.581 -5.000 0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.976 -5.411 1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.713 -7.435 2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.388 -7.708 2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.608 -8.865 1.575 1.00 0.00 H new ATOM 398 N MET A 26 -9.833 -9.716 0.252 1.00 0.00 N ATOM 399 CA MET A 26 -11.252 -9.980 0.126 1.00 0.00 C ATOM 400 C MET A 26 -11.925 -8.679 0.328 1.00 0.00 C ATOM 401 O MET A 26 -11.904 -8.155 1.426 1.00 0.00 O ATOM 402 CB MET A 26 -11.702 -10.887 1.263 1.00 0.00 C ATOM 403 CG MET A 26 -13.196 -11.248 1.315 1.00 0.00 C ATOM 404 SD MET A 26 -13.591 -12.909 0.708 1.00 0.00 S ATOM 405 CE MET A 26 -13.311 -12.772 -1.045 1.00 0.00 C ATOM 0 H MET A 26 -9.478 -9.889 1.193 1.00 0.00 H new ATOM 0 HA MET A 26 -11.478 -10.442 -0.835 1.00 0.00 H new ATOM 0 HB2 MET A 26 -11.131 -11.814 1.204 1.00 0.00 H new ATOM 0 HB3 MET A 26 -11.436 -10.408 2.205 1.00 0.00 H new ATOM 0 HG2 MET A 26 -13.542 -11.160 2.345 1.00 0.00 H new ATOM 0 HG3 MET A 26 -13.753 -10.518 0.728 1.00 0.00 H new ATOM 0 HE1 MET A 26 -14.183 -13.145 -1.583 1.00 0.00 H new ATOM 0 HE2 MET A 26 -13.143 -11.727 -1.306 1.00 0.00 H new ATOM 0 HE3 MET A 26 -12.436 -13.360 -1.321 1.00 0.00 H new ATOM 415 N TYR A 27 -12.472 -8.162 -0.679 1.00 0.00 N ATOM 416 CA TYR A 27 -13.106 -6.922 -0.621 1.00 0.00 C ATOM 417 C TYR A 27 -14.501 -7.083 -1.101 1.00 0.00 C ATOM 418 O TYR A 27 -14.740 -7.553 -2.222 1.00 0.00 O ATOM 419 CB TYR A 27 -12.324 -5.907 -1.433 1.00 0.00 C ATOM 420 CG TYR A 27 -13.070 -4.622 -1.740 1.00 0.00 C ATOM 421 CD1 TYR A 27 -13.283 -3.664 -0.761 1.00 0.00 C ATOM 422 CD2 TYR A 27 -13.567 -4.375 -3.015 1.00 0.00 C ATOM 423 CE1 TYR A 27 -13.972 -2.506 -1.040 1.00 0.00 C ATOM 424 CE2 TYR A 27 -14.254 -3.218 -3.298 1.00 0.00 C ATOM 425 CZ TYR A 27 -14.456 -2.286 -2.304 1.00 0.00 C ATOM 426 OH TYR A 27 -15.143 -1.115 -2.584 1.00 0.00 O ATOM 0 H TYR A 27 -12.494 -8.601 -1.600 1.00 0.00 H new ATOM 0 HA TYR A 27 -13.140 -6.548 0.402 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.410 -5.659 -0.894 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.024 -6.369 -2.373 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.902 -3.829 0.236 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -13.411 -5.104 -3.796 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.131 -1.771 -0.265 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -14.633 -3.041 -4.294 1.00 0.00 H new ATOM 0 HH TYR A 27 -15.418 -1.114 -3.525 1.00 0.00 H new ATOM 436 N LYS A 28 -15.411 -6.826 -0.193 1.00 0.00 N ATOM 437 CA LYS A 28 -16.840 -6.866 -0.424 1.00 0.00 C ATOM 438 C LYS A 28 -17.255 -8.274 -0.903 1.00 0.00 C ATOM 439 O LYS A 28 -18.214 -8.457 -1.661 1.00 0.00 O ATOM 440 CB LYS A 28 -17.252 -5.734 -1.400 1.00 0.00 C ATOM 441 CG LYS A 28 -18.752 -5.426 -1.442 1.00 0.00 C ATOM 442 CD LYS A 28 -19.311 -5.062 -0.054 1.00 0.00 C ATOM 443 CE LYS A 28 -18.672 -3.808 0.551 1.00 0.00 C ATOM 444 NZ LYS A 28 -19.007 -2.578 -0.191 1.00 0.00 N ATOM 0 H LYS A 28 -15.170 -6.573 0.765 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.379 -6.682 0.506 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.718 -4.825 -1.124 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.924 -6.004 -2.404 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -18.933 -4.602 -2.132 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -19.288 -6.291 -1.832 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -20.387 -4.910 -0.133 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -19.156 -5.902 0.623 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.999 -3.703 1.585 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.589 -3.931 0.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.604 -1.755 0.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.613 -2.634 -1.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -20.041 -2.477 -0.246 1.00 0.00 H new ATOM 458 N GLY A 29 -16.518 -9.263 -0.419 1.00 0.00 N ATOM 459 CA GLY A 29 -16.783 -10.633 -0.753 1.00 0.00 C ATOM 460 C GLY A 29 -16.108 -11.076 -2.035 1.00 0.00 C ATOM 461 O GLY A 29 -16.403 -12.157 -2.555 1.00 0.00 O ATOM 0 H GLY A 29 -15.727 -9.128 0.211 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.449 -11.271 0.065 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.859 -10.775 -0.849 1.00 0.00 H new ATOM 465 N GLN A 30 -15.213 -10.264 -2.566 1.00 0.00 N ATOM 466 CA GLN A 30 -14.524 -10.603 -3.782 1.00 0.00 C ATOM 467 C GLN A 30 -13.030 -10.520 -3.581 1.00 0.00 C ATOM 468 O GLN A 30 -12.551 -9.571 -2.977 1.00 0.00 O ATOM 469 CB GLN A 30 -14.931 -9.629 -4.834 1.00 0.00 C ATOM 470 CG GLN A 30 -16.402 -9.650 -5.105 1.00 0.00 C ATOM 471 CD GLN A 30 -16.821 -8.558 -6.046 1.00 0.00 C ATOM 472 OE1 GLN A 30 -16.830 -8.739 -7.256 1.00 0.00 O ATOM 473 NE2 GLN A 30 -17.168 -7.416 -5.505 1.00 0.00 N ATOM 0 H GLN A 30 -14.950 -9.363 -2.167 1.00 0.00 H new ATOM 0 HA GLN A 30 -14.780 -11.621 -4.076 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -14.637 -8.625 -4.527 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -14.393 -9.851 -5.756 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -16.678 -10.616 -5.527 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -16.944 -9.545 -4.165 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -17.147 -7.305 -4.491 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -17.459 -6.638 -6.098 1.00 0.00 H new ATOM 482 N PRO A 31 -12.270 -11.528 -4.019 1.00 0.00 N ATOM 483 CA PRO A 31 -10.829 -11.481 -3.946 1.00 0.00 C ATOM 484 C PRO A 31 -10.324 -10.551 -4.989 1.00 0.00 C ATOM 485 O PRO A 31 -10.685 -10.673 -6.170 1.00 0.00 O ATOM 486 CB PRO A 31 -10.374 -12.893 -4.292 1.00 0.00 C ATOM 487 CG PRO A 31 -11.600 -13.710 -4.314 1.00 0.00 C ATOM 488 CD PRO A 31 -12.735 -12.779 -4.613 1.00 0.00 C ATOM 0 HA PRO A 31 -10.471 -11.149 -2.971 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.870 -12.917 -5.258 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -9.666 -13.269 -3.553 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.531 -14.491 -5.071 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -11.750 -14.208 -3.356 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.910 -12.681 -5.684 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -13.670 -13.119 -4.167 1.00 0.00 H new ATOM 496 N MET A 32 -9.539 -9.635 -4.598 1.00 0.00 N ATOM 497 CA MET A 32 -9.046 -8.705 -5.527 1.00 0.00 C ATOM 498 C MET A 32 -7.619 -8.422 -5.209 1.00 0.00 C ATOM 499 O MET A 32 -7.225 -8.346 -4.019 1.00 0.00 O ATOM 500 CB MET A 32 -9.888 -7.424 -5.530 1.00 0.00 C ATOM 501 CG MET A 32 -9.808 -6.668 -6.857 1.00 0.00 C ATOM 502 SD MET A 32 -10.925 -5.250 -6.962 1.00 0.00 S ATOM 503 CE MET A 32 -10.264 -4.217 -5.676 1.00 0.00 C ATOM 0 H MET A 32 -9.221 -9.506 -3.638 1.00 0.00 H new ATOM 0 HA MET A 32 -9.113 -9.123 -6.532 1.00 0.00 H new ATOM 0 HB2 MET A 32 -10.928 -7.677 -5.323 1.00 0.00 H new ATOM 0 HB3 MET A 32 -9.552 -6.772 -4.724 1.00 0.00 H new ATOM 0 HG2 MET A 32 -8.785 -6.324 -7.006 1.00 0.00 H new ATOM 0 HG3 MET A 32 -10.034 -7.357 -7.671 1.00 0.00 H new ATOM 0 HE1 MET A 32 -10.372 -3.170 -5.959 1.00 0.00 H new ATOM 0 HE2 MET A 32 -10.806 -4.400 -4.748 1.00 0.00 H new ATOM 0 HE3 MET A 32 -9.208 -4.447 -5.531 1.00 0.00 H new ATOM 513 N THR A 33 -6.839 -8.330 -6.226 1.00 0.00 N ATOM 514 CA THR A 33 -5.462 -8.061 -6.085 1.00 0.00 C ATOM 515 C THR A 33 -5.260 -6.563 -6.005 1.00 0.00 C ATOM 516 O THR A 33 -5.288 -5.879 -7.001 1.00 0.00 O ATOM 517 CB THR A 33 -4.684 -8.641 -7.272 1.00 0.00 C ATOM 518 OG1 THR A 33 -5.088 -10.012 -7.468 1.00 0.00 O ATOM 519 CG2 THR A 33 -3.189 -8.585 -6.999 1.00 0.00 C ATOM 0 H THR A 33 -7.149 -8.442 -7.191 1.00 0.00 H new ATOM 0 HA THR A 33 -5.089 -8.528 -5.173 1.00 0.00 H new ATOM 0 HB THR A 33 -4.898 -8.056 -8.166 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.597 -10.392 -8.226 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.648 -9.000 -7.850 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.886 -7.549 -6.846 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.960 -9.166 -6.105 1.00 0.00 H new ATOM 527 N PHE A 34 -5.119 -6.078 -4.820 1.00 0.00 N ATOM 528 CA PHE A 34 -4.924 -4.693 -4.540 1.00 0.00 C ATOM 529 C PHE A 34 -3.499 -4.256 -4.826 1.00 0.00 C ATOM 530 O PHE A 34 -2.565 -5.087 -4.882 1.00 0.00 O ATOM 531 CB PHE A 34 -5.284 -4.359 -3.106 1.00 0.00 C ATOM 532 CG PHE A 34 -6.747 -4.331 -2.791 1.00 0.00 C ATOM 533 CD1 PHE A 34 -7.483 -5.489 -2.681 1.00 0.00 C ATOM 534 CD2 PHE A 34 -7.379 -3.118 -2.594 1.00 0.00 C ATOM 535 CE1 PHE A 34 -8.824 -5.438 -2.379 1.00 0.00 C ATOM 536 CE2 PHE A 34 -8.712 -3.061 -2.291 1.00 0.00 C ATOM 537 CZ PHE A 34 -9.438 -4.219 -2.182 1.00 0.00 C ATOM 0 H PHE A 34 -5.137 -6.659 -3.982 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.592 -4.145 -5.204 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.805 -5.087 -2.452 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.860 -3.385 -2.862 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.004 -6.445 -2.833 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.813 -2.202 -2.680 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -9.395 -6.351 -2.296 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.192 -2.105 -2.138 1.00 0.00 H new ATOM 0 HZ PHE A 34 -10.490 -4.177 -1.942 1.00 0.00 H new ATOM 547 N ARG A 35 -3.357 -2.964 -4.974 1.00 0.00 N ATOM 548 CA ARG A 35 -2.163 -2.297 -5.341 1.00 0.00 C ATOM 549 C ARG A 35 -1.882 -1.255 -4.271 1.00 0.00 C ATOM 550 O ARG A 35 -2.804 -0.562 -3.828 1.00 0.00 O ATOM 551 CB ARG A 35 -2.469 -1.600 -6.667 1.00 0.00 C ATOM 552 CG ARG A 35 -1.300 -1.220 -7.561 1.00 0.00 C ATOM 553 CD ARG A 35 -0.489 -0.054 -7.037 1.00 0.00 C ATOM 554 NE ARG A 35 0.356 0.549 -8.078 1.00 0.00 N ATOM 555 CZ ARG A 35 1.486 1.198 -7.847 1.00 0.00 C ATOM 556 NH1 ARG A 35 2.034 1.136 -6.669 1.00 0.00 N ATOM 557 NH2 ARG A 35 2.090 1.851 -8.829 1.00 0.00 N ATOM 0 H ARG A 35 -4.133 -2.319 -4.828 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.307 -2.965 -5.437 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.130 -2.249 -7.241 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.029 -0.691 -6.445 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.646 -2.084 -7.676 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.678 -0.972 -8.553 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.162 0.703 -6.635 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.139 -0.392 -6.213 1.00 0.00 H new ATOM 0 HE ARG A 35 0.050 0.461 -9.047 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.593 0.589 -5.929 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.905 1.634 -6.485 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.684 1.854 -9.765 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.961 2.351 -8.649 1.00 0.00 H new ATOM 571 N LEU A 36 -0.654 -1.130 -3.869 1.00 0.00 N ATOM 572 CA LEU A 36 -0.286 -0.141 -2.880 1.00 0.00 C ATOM 573 C LEU A 36 -0.188 1.246 -3.498 1.00 0.00 C ATOM 574 O LEU A 36 0.753 1.568 -4.212 1.00 0.00 O ATOM 575 CB LEU A 36 1.022 -0.499 -2.158 1.00 0.00 C ATOM 576 CG LEU A 36 1.032 -1.756 -1.291 1.00 0.00 C ATOM 577 CD1 LEU A 36 2.372 -1.918 -0.600 1.00 0.00 C ATOM 578 CD2 LEU A 36 -0.051 -1.703 -0.268 1.00 0.00 C ATOM 0 H LEU A 36 0.121 -1.700 -4.208 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.081 -0.135 -2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.803 -0.605 -2.911 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.299 0.346 -1.527 1.00 0.00 H new ATOM 0 HG LEU A 36 0.861 -2.612 -1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.359 -2.819 0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.160 -2.000 -1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.562 -1.051 0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.024 -2.609 0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.096 -0.834 0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.018 -1.628 -0.765 1.00 0.00 H new ATOM 590 N LEU A 37 -1.228 2.017 -3.278 1.00 0.00 N ATOM 591 CA LEU A 37 -1.264 3.443 -3.628 1.00 0.00 C ATOM 592 C LEU A 37 -0.043 4.183 -3.152 1.00 0.00 C ATOM 593 O LEU A 37 0.427 3.981 -2.040 1.00 0.00 O ATOM 594 CB LEU A 37 -2.415 4.147 -2.968 1.00 0.00 C ATOM 595 CG LEU A 37 -3.645 4.479 -3.803 1.00 0.00 C ATOM 596 CD1 LEU A 37 -4.294 5.664 -3.265 1.00 0.00 C ATOM 597 CD2 LEU A 37 -3.288 4.842 -5.130 1.00 0.00 C ATOM 0 H LEU A 37 -2.089 1.681 -2.847 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.340 3.454 -4.715 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.741 3.532 -2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.037 5.080 -2.551 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.281 3.594 -3.787 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.174 5.900 -3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.596 5.477 -2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.600 6.504 -3.293 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.189 5.073 -5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.640 5.718 -5.106 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.761 4.014 -5.604 1.00 0.00 H new ATOM 609 N LEU A 38 0.407 5.058 -3.993 1.00 0.00 N ATOM 610 CA LEU A 38 1.520 5.956 -3.750 1.00 0.00 C ATOM 611 C LEU A 38 2.851 5.246 -3.456 1.00 0.00 C ATOM 612 O LEU A 38 3.786 5.850 -2.941 1.00 0.00 O ATOM 613 CB LEU A 38 1.244 7.045 -2.670 1.00 0.00 C ATOM 614 CG LEU A 38 0.300 8.191 -3.065 1.00 0.00 C ATOM 615 CD1 LEU A 38 0.787 8.845 -4.355 1.00 0.00 C ATOM 616 CD2 LEU A 38 -1.139 7.711 -3.189 1.00 0.00 C ATOM 0 H LEU A 38 -0.004 5.182 -4.918 1.00 0.00 H new ATOM 0 HA LEU A 38 1.625 6.466 -4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.831 6.553 -1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.199 7.479 -2.374 1.00 0.00 H new ATOM 0 HG LEU A 38 0.314 8.940 -2.273 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.113 9.656 -4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.791 9.242 -4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.806 8.104 -5.154 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.779 8.548 -3.470 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.199 6.936 -3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.471 7.305 -2.233 1.00 0.00 H new ATOM 628 N VAL A 39 2.977 4.035 -3.901 1.00 0.00 N ATOM 629 CA VAL A 39 4.057 3.171 -3.454 1.00 0.00 C ATOM 630 C VAL A 39 4.794 2.539 -4.605 1.00 0.00 C ATOM 631 O VAL A 39 4.198 2.196 -5.614 1.00 0.00 O ATOM 632 CB VAL A 39 3.470 2.061 -2.512 1.00 0.00 C ATOM 633 CG1 VAL A 39 4.407 0.905 -2.284 1.00 0.00 C ATOM 634 CG2 VAL A 39 3.117 2.646 -1.180 1.00 0.00 C ATOM 0 H VAL A 39 2.347 3.607 -4.579 1.00 0.00 H new ATOM 0 HA VAL A 39 4.778 3.783 -2.912 1.00 0.00 H new ATOM 0 HB VAL A 39 2.587 1.678 -3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.934 0.178 -1.624 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.640 0.432 -3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.327 1.267 -1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.711 1.866 -0.536 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.010 3.068 -0.720 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.372 3.431 -1.313 1.00 0.00 H new ATOM 644 N ASP A 40 6.093 2.478 -4.490 1.00 0.00 N ATOM 645 CA ASP A 40 6.875 1.716 -5.428 1.00 0.00 C ATOM 646 C ASP A 40 7.818 0.851 -4.664 1.00 0.00 C ATOM 647 O ASP A 40 8.835 1.340 -4.142 1.00 0.00 O ATOM 648 CB ASP A 40 7.650 2.595 -6.355 1.00 0.00 C ATOM 649 CG ASP A 40 8.120 1.842 -7.578 1.00 0.00 C ATOM 650 OD1 ASP A 40 7.293 1.573 -8.475 1.00 0.00 O ATOM 651 OD2 ASP A 40 9.305 1.518 -7.659 1.00 0.00 O ATOM 0 H ASP A 40 6.631 2.944 -3.760 1.00 0.00 H new ATOM 0 HA ASP A 40 6.196 1.117 -6.035 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.029 3.437 -6.662 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.511 3.009 -5.829 1.00 0.00 H new ATOM 656 N THR A 41 7.455 -0.382 -4.528 1.00 0.00 N ATOM 657 CA THR A 41 8.228 -1.350 -3.799 1.00 0.00 C ATOM 658 C THR A 41 9.377 -1.892 -4.637 1.00 0.00 C ATOM 659 O THR A 41 9.411 -1.716 -5.867 1.00 0.00 O ATOM 660 CB THR A 41 7.329 -2.521 -3.395 1.00 0.00 C ATOM 661 OG1 THR A 41 6.549 -2.896 -4.519 1.00 0.00 O ATOM 662 CG2 THR A 41 6.431 -2.166 -2.230 1.00 0.00 C ATOM 0 H THR A 41 6.595 -0.759 -4.927 1.00 0.00 H new ATOM 0 HA THR A 41 8.638 -0.854 -2.919 1.00 0.00 H new ATOM 0 HB THR A 41 7.957 -3.351 -3.072 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.311 -3.844 -4.450 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.809 -3.024 -1.975 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.042 -1.892 -1.370 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.794 -1.325 -2.505 1.00 0.00 H new ATOM 891 N GLY A 55 12.342 -7.263 -2.184 1.00 0.00 N ATOM 892 CA GLY A 55 11.067 -7.710 -2.553 1.00 0.00 C ATOM 893 C GLY A 55 10.475 -8.622 -1.523 1.00 0.00 C ATOM 894 O GLY A 55 9.338 -8.408 -1.106 1.00 0.00 O ATOM 0 HA2 GLY A 55 10.410 -6.853 -2.699 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.128 -8.232 -3.508 1.00 0.00 H new ATOM 898 N PRO A 56 11.234 -9.659 -1.057 1.00 0.00 N ATOM 899 CA PRO A 56 10.759 -10.572 -0.035 1.00 0.00 C ATOM 900 C PRO A 56 10.397 -9.842 1.259 1.00 0.00 C ATOM 901 O PRO A 56 9.411 -10.167 1.896 1.00 0.00 O ATOM 902 CB PRO A 56 11.959 -11.508 0.159 1.00 0.00 C ATOM 903 CG PRO A 56 13.115 -10.715 -0.280 1.00 0.00 C ATOM 904 CD PRO A 56 12.604 -10.056 -1.494 1.00 0.00 C ATOM 0 HA PRO A 56 9.844 -11.093 -0.316 1.00 0.00 H new ATOM 0 HB2 PRO A 56 12.060 -11.815 1.200 1.00 0.00 H new ATOM 0 HB3 PRO A 56 11.853 -12.418 -0.432 1.00 0.00 H new ATOM 0 HG2 PRO A 56 13.422 -9.992 0.476 1.00 0.00 H new ATOM 0 HG3 PRO A 56 13.981 -11.342 -0.492 1.00 0.00 H new ATOM 0 HD2 PRO A 56 13.209 -9.196 -1.781 1.00 0.00 H new ATOM 0 HD3 PRO A 56 12.583 -10.731 -2.350 1.00 0.00 H new ATOM 912 N GLU A 57 11.159 -8.806 1.600 1.00 0.00 N ATOM 913 CA GLU A 57 10.902 -8.061 2.810 1.00 0.00 C ATOM 914 C GLU A 57 9.692 -7.145 2.650 1.00 0.00 C ATOM 915 O GLU A 57 8.897 -7.008 3.564 1.00 0.00 O ATOM 916 CB GLU A 57 12.152 -7.321 3.318 1.00 0.00 C ATOM 917 CG GLU A 57 13.277 -8.273 3.699 1.00 0.00 C ATOM 918 CD GLU A 57 14.414 -7.605 4.432 1.00 0.00 C ATOM 919 OE1 GLU A 57 14.330 -7.469 5.677 1.00 0.00 O ATOM 920 OE2 GLU A 57 15.438 -7.269 3.804 1.00 0.00 O ATOM 0 H GLU A 57 11.953 -8.472 1.053 1.00 0.00 H new ATOM 0 HA GLU A 57 10.651 -8.780 3.590 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.505 -6.637 2.546 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.885 -6.714 4.183 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.872 -9.069 4.323 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.665 -8.743 2.795 1.00 0.00 H new ATOM 927 N ALA A 58 9.529 -6.569 1.467 1.00 0.00 N ATOM 928 CA ALA A 58 8.354 -5.738 1.169 1.00 0.00 C ATOM 929 C ALA A 58 7.109 -6.590 1.209 1.00 0.00 C ATOM 930 O ALA A 58 6.109 -6.251 1.897 1.00 0.00 O ATOM 931 CB ALA A 58 8.489 -5.086 -0.202 1.00 0.00 C ATOM 0 H ALA A 58 10.190 -6.657 0.695 1.00 0.00 H new ATOM 0 HA ALA A 58 8.283 -4.951 1.920 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.609 -4.475 -0.403 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.379 -4.457 -0.220 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.576 -5.859 -0.966 1.00 0.00 H new ATOM 937 N SER A 59 7.187 -7.721 0.521 1.00 0.00 N ATOM 938 CA SER A 59 6.092 -8.650 0.459 1.00 0.00 C ATOM 939 C SER A 59 5.766 -9.126 1.861 1.00 0.00 C ATOM 940 O SER A 59 4.614 -9.139 2.247 1.00 0.00 O ATOM 941 CB SER A 59 6.419 -9.856 -0.455 1.00 0.00 C ATOM 942 OG SER A 59 5.259 -10.661 -0.703 1.00 0.00 O ATOM 0 H SER A 59 8.012 -8.010 -0.004 1.00 0.00 H new ATOM 0 HA SER A 59 5.229 -8.142 0.029 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.822 -9.497 -1.402 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.193 -10.466 0.010 1.00 0.00 H new ATOM 0 HG SER A 59 5.056 -10.656 -1.662 1.00 0.00 H new ATOM 948 N ALA A 60 6.796 -9.399 2.661 1.00 0.00 N ATOM 949 CA ALA A 60 6.583 -9.943 3.971 1.00 0.00 C ATOM 950 C ALA A 60 6.192 -8.899 4.968 1.00 0.00 C ATOM 951 O ALA A 60 5.581 -9.217 5.953 1.00 0.00 O ATOM 952 CB ALA A 60 7.748 -10.779 4.458 1.00 0.00 C ATOM 0 H ALA A 60 7.774 -9.248 2.413 1.00 0.00 H new ATOM 0 HA ALA A 60 5.735 -10.621 3.874 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.529 -11.163 5.454 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.908 -11.613 3.774 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.647 -10.163 4.496 1.00 0.00 H new ATOM 958 N PHE A 61 6.538 -7.656 4.730 1.00 0.00 N ATOM 959 CA PHE A 61 6.082 -6.618 5.612 1.00 0.00 C ATOM 960 C PHE A 61 4.635 -6.328 5.326 1.00 0.00 C ATOM 961 O PHE A 61 3.810 -6.190 6.268 1.00 0.00 O ATOM 962 CB PHE A 61 6.896 -5.351 5.491 1.00 0.00 C ATOM 963 CG PHE A 61 6.594 -4.396 6.607 1.00 0.00 C ATOM 964 CD1 PHE A 61 7.294 -4.464 7.795 1.00 0.00 C ATOM 965 CD2 PHE A 61 5.593 -3.458 6.480 1.00 0.00 C ATOM 966 CE1 PHE A 61 7.001 -3.607 8.838 1.00 0.00 C ATOM 967 CE2 PHE A 61 5.293 -2.599 7.505 1.00 0.00 C ATOM 968 CZ PHE A 61 5.997 -2.668 8.691 1.00 0.00 C ATOM 0 H PHE A 61 7.120 -7.347 3.951 1.00 0.00 H new ATOM 0 HA PHE A 61 6.205 -6.975 6.634 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.958 -5.597 5.499 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.687 -4.872 4.534 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.080 -5.196 7.910 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.035 -3.399 5.557 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.554 -3.670 9.764 1.00 0.00 H new ATOM 0 HE2 PHE A 61 4.507 -1.869 7.385 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.764 -1.991 9.500 1.00 0.00 H new ATOM 978 N THR A 62 4.304 -6.248 4.033 1.00 0.00 N ATOM 979 CA THR A 62 2.933 -6.041 3.646 1.00 0.00 C ATOM 980 C THR A 62 2.123 -7.200 4.217 1.00 0.00 C ATOM 981 O THR A 62 1.137 -7.002 4.980 1.00 0.00 O ATOM 982 CB THR A 62 2.772 -5.956 2.084 1.00 0.00 C ATOM 983 OG1 THR A 62 3.690 -4.998 1.570 1.00 0.00 O ATOM 984 CG2 THR A 62 1.376 -5.501 1.746 1.00 0.00 C ATOM 0 H THR A 62 4.965 -6.324 3.259 1.00 0.00 H new ATOM 0 HA THR A 62 2.576 -5.089 4.038 1.00 0.00 H new ATOM 0 HB THR A 62 2.963 -6.937 1.650 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.588 -5.390 1.537 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.265 -5.442 0.663 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.654 -6.213 2.147 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.198 -4.518 2.183 1.00 0.00 H new ATOM 992 N LYS A 63 2.662 -8.396 3.991 1.00 0.00 N ATOM 993 CA LYS A 63 2.055 -9.614 4.427 1.00 0.00 C ATOM 994 C LYS A 63 1.938 -9.640 5.925 1.00 0.00 C ATOM 995 O LYS A 63 0.893 -9.990 6.431 1.00 0.00 O ATOM 996 CB LYS A 63 2.805 -10.837 3.872 1.00 0.00 C ATOM 997 CG LYS A 63 3.425 -11.748 4.875 1.00 0.00 C ATOM 998 CD LYS A 63 4.210 -12.819 4.199 1.00 0.00 C ATOM 999 CE LYS A 63 4.692 -13.806 5.218 1.00 0.00 C ATOM 1000 NZ LYS A 63 5.471 -14.902 4.619 1.00 0.00 N ATOM 0 H LYS A 63 3.542 -8.529 3.493 1.00 0.00 H new ATOM 0 HA LYS A 63 1.043 -9.663 4.026 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.109 -11.418 3.267 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.589 -10.482 3.203 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.075 -11.178 5.539 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.649 -12.196 5.496 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.593 -13.322 3.454 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.058 -12.384 3.670 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.306 -13.290 5.956 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.836 -14.222 5.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.781 -15.556 5.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.880 -15.414 3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.304 -14.511 4.134 1.00 0.00 H new ATOM 1014 N LYS A 64 2.994 -9.201 6.631 1.00 0.00 N ATOM 1015 CA LYS A 64 2.960 -9.195 8.055 1.00 0.00 C ATOM 1016 C LYS A 64 1.831 -8.307 8.481 1.00 0.00 C ATOM 1017 O LYS A 64 0.920 -8.781 9.081 1.00 0.00 O ATOM 1018 CB LYS A 64 4.352 -8.835 8.728 1.00 0.00 C ATOM 1019 CG LYS A 64 4.650 -7.346 9.036 1.00 0.00 C ATOM 1020 CD LYS A 64 4.071 -6.919 10.391 1.00 0.00 C ATOM 1021 CE LYS A 64 4.913 -7.448 11.543 1.00 0.00 C ATOM 1022 NZ LYS A 64 4.392 -7.010 12.849 1.00 0.00 N ATOM 0 H LYS A 64 3.861 -8.854 6.220 1.00 0.00 H new ATOM 0 HA LYS A 64 2.777 -10.207 8.417 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.424 -9.390 9.663 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.143 -9.206 8.076 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.728 -7.183 9.033 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.231 -6.721 8.248 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.023 -5.831 10.442 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.050 -7.288 10.485 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.934 -8.537 11.507 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.941 -7.105 11.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.021 -7.348 13.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.347 -5.971 12.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.439 -7.401 12.991 1.00 0.00 H new ATOM 1036 N MET A 65 1.797 -7.051 8.032 1.00 0.00 N ATOM 1037 CA MET A 65 0.730 -6.183 8.498 1.00 0.00 C ATOM 1038 C MET A 65 -0.632 -6.682 8.137 1.00 0.00 C ATOM 1039 O MET A 65 -1.553 -6.593 8.934 1.00 0.00 O ATOM 1040 CB MET A 65 0.886 -4.764 8.090 1.00 0.00 C ATOM 1041 CG MET A 65 2.091 -4.099 8.711 1.00 0.00 C ATOM 1042 SD MET A 65 1.815 -2.364 9.125 1.00 0.00 S ATOM 1043 CE MET A 65 1.249 -1.731 7.565 1.00 0.00 C ATOM 0 H MET A 65 2.461 -6.634 7.380 1.00 0.00 H new ATOM 0 HA MET A 65 0.823 -6.214 9.584 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.968 -4.711 7.004 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.011 -4.211 8.369 1.00 0.00 H new ATOM 0 HG2 MET A 65 2.371 -4.641 9.614 1.00 0.00 H new ATOM 0 HG3 MET A 65 2.933 -4.172 8.022 1.00 0.00 H new ATOM 0 HE1 MET A 65 1.274 -0.641 7.584 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.897 -2.095 6.768 1.00 0.00 H new ATOM 0 HE3 MET A 65 0.228 -2.068 7.385 1.00 0.00 H new ATOM 1053 N VAL A 66 -0.740 -7.329 7.016 1.00 0.00 N ATOM 1054 CA VAL A 66 -2.060 -7.780 6.609 1.00 0.00 C ATOM 1055 C VAL A 66 -2.447 -9.086 7.294 1.00 0.00 C ATOM 1056 O VAL A 66 -3.626 -9.410 7.419 1.00 0.00 O ATOM 1057 CB VAL A 66 -2.316 -7.799 5.074 1.00 0.00 C ATOM 1058 CG1 VAL A 66 -2.348 -6.377 4.527 1.00 0.00 C ATOM 1059 CG2 VAL A 66 -1.269 -8.598 4.346 1.00 0.00 C ATOM 0 H VAL A 66 0.026 -7.555 6.382 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.740 -7.006 6.965 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.282 -8.276 4.909 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.528 -6.405 3.452 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.147 -5.818 5.014 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.393 -5.890 4.723 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.482 -8.588 3.277 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.287 -8.160 4.525 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.279 -9.626 4.708 1.00 0.00 H new ATOM 1069 N GLU A 67 -1.455 -9.812 7.775 1.00 0.00 N ATOM 1070 CA GLU A 67 -1.711 -10.989 8.572 1.00 0.00 C ATOM 1071 C GLU A 67 -1.994 -10.554 10.002 1.00 0.00 C ATOM 1072 O GLU A 67 -2.762 -11.175 10.711 1.00 0.00 O ATOM 1073 CB GLU A 67 -0.516 -11.952 8.612 1.00 0.00 C ATOM 1074 CG GLU A 67 -0.133 -12.672 7.321 1.00 0.00 C ATOM 1075 CD GLU A 67 0.826 -13.795 7.607 1.00 0.00 C ATOM 1076 OE1 GLU A 67 1.915 -13.546 8.170 1.00 0.00 O ATOM 1077 OE2 GLU A 67 0.498 -14.968 7.312 1.00 0.00 O ATOM 0 H GLU A 67 -0.467 -9.605 7.626 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.555 -11.508 8.118 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.354 -11.391 8.952 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.722 -12.709 9.368 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.028 -13.065 6.838 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.321 -11.966 6.626 1.00 0.00 H new ATOM 1084 N ASN A 68 -1.351 -9.468 10.401 1.00 0.00 N ATOM 1085 CA ASN A 68 -1.401 -8.922 11.734 1.00 0.00 C ATOM 1086 C ASN A 68 -2.633 -8.127 11.938 1.00 0.00 C ATOM 1087 O ASN A 68 -3.092 -7.938 13.068 1.00 0.00 O ATOM 1088 CB ASN A 68 -0.179 -8.032 11.919 1.00 0.00 C ATOM 1089 CG ASN A 68 1.134 -8.754 12.060 1.00 0.00 C ATOM 1090 OD1 ASN A 68 2.037 -8.294 12.748 1.00 0.00 O ATOM 1091 ND2 ASN A 68 1.249 -9.861 11.404 1.00 0.00 N ATOM 0 H ASN A 68 -0.757 -8.926 9.773 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.406 -9.734 12.461 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -0.112 -7.355 11.067 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -0.331 -7.415 12.805 1.00 0.00 H new ATOM 0 HD21 ASN A 68 2.120 -10.391 11.446 1.00 0.00 H new ATOM 0 HD22 ASN A 68 0.469 -10.205 10.844 1.00 0.00 H new ATOM 1098 N ALA A 69 -3.141 -7.623 10.880 1.00 0.00 N ATOM 1099 CA ALA A 69 -4.299 -6.846 10.924 1.00 0.00 C ATOM 1100 C ALA A 69 -5.545 -7.666 11.060 1.00 0.00 C ATOM 1101 O ALA A 69 -5.778 -8.628 10.331 1.00 0.00 O ATOM 1102 CB ALA A 69 -4.396 -5.991 9.714 1.00 0.00 C ATOM 0 H ALA A 69 -2.750 -7.746 9.946 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.220 -6.223 11.815 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.305 -5.391 9.764 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.529 -5.332 9.663 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.425 -6.621 8.825 1.00 0.00 H new ATOM 1108 N LYS A 70 -6.323 -7.286 12.007 1.00 0.00 N ATOM 1109 CA LYS A 70 -7.657 -7.815 12.177 1.00 0.00 C ATOM 1110 C LYS A 70 -8.609 -6.894 11.447 1.00 0.00 C ATOM 1111 O LYS A 70 -9.774 -7.211 11.213 1.00 0.00 O ATOM 1112 CB LYS A 70 -8.064 -7.888 13.659 1.00 0.00 C ATOM 1113 CG LYS A 70 -7.412 -8.942 14.495 1.00 0.00 C ATOM 1114 CD LYS A 70 -5.972 -8.601 14.763 1.00 0.00 C ATOM 1115 CE LYS A 70 -5.406 -9.479 15.818 1.00 0.00 C ATOM 1116 NZ LYS A 70 -5.365 -10.907 15.426 1.00 0.00 N ATOM 0 H LYS A 70 -6.062 -6.589 12.704 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.689 -8.830 11.780 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.857 -6.920 14.114 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.143 -8.038 13.706 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.947 -9.045 15.439 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.473 -9.904 13.987 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.392 -8.708 13.846 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.892 -7.558 15.071 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.396 -9.145 16.057 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.000 -9.375 16.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.869 -11.454 16.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.335 -11.267 15.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.862 -11.004 14.521 1.00 0.00 H new ATOM 1130 N LYS A 71 -8.080 -5.755 11.092 1.00 0.00 N ATOM 1131 CA LYS A 71 -8.798 -4.711 10.425 1.00 0.00 C ATOM 1132 C LYS A 71 -8.097 -4.347 9.174 1.00 0.00 C ATOM 1133 O LYS A 71 -7.168 -3.550 9.205 1.00 0.00 O ATOM 1134 CB LYS A 71 -8.771 -3.481 11.261 1.00 0.00 C ATOM 1135 CG LYS A 71 -9.666 -2.380 10.802 1.00 0.00 C ATOM 1136 CD LYS A 71 -9.223 -1.092 11.422 1.00 0.00 C ATOM 1137 CE LYS A 71 -9.297 -1.118 12.949 1.00 0.00 C ATOM 1138 NZ LYS A 71 -8.552 -0.001 13.556 1.00 0.00 N ATOM 0 H LYS A 71 -7.102 -5.523 11.267 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.813 -5.062 10.239 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.045 -3.749 12.281 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.748 -3.106 11.294 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.638 -2.302 9.715 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.698 -2.595 11.080 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.199 -0.879 11.115 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.844 -0.279 11.046 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.340 -1.071 13.262 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.896 -2.063 13.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.711 0.004 14.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.537 -0.115 13.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.882 0.898 13.150 1.00 0.00 H new ATOM 1152 N ILE A 72 -8.412 -4.942 8.113 1.00 0.00 N ATOM 1153 CA ILE A 72 -7.888 -4.432 6.933 1.00 0.00 C ATOM 1154 C ILE A 72 -8.897 -3.572 6.295 1.00 0.00 C ATOM 1155 O ILE A 72 -9.953 -4.022 5.872 1.00 0.00 O ATOM 1156 CB ILE A 72 -7.326 -5.454 5.956 1.00 0.00 C ATOM 1157 CG1 ILE A 72 -6.242 -6.258 6.646 1.00 0.00 C ATOM 1158 CG2 ILE A 72 -6.758 -4.734 4.732 1.00 0.00 C ATOM 1159 CD1 ILE A 72 -6.720 -7.561 7.253 1.00 0.00 C ATOM 0 H ILE A 72 -9.014 -5.762 8.032 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.008 -3.856 7.219 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.117 -6.129 5.628 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.453 -6.475 5.926 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.797 -5.647 7.431 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.356 -5.467 4.033 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.550 -4.164 4.245 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.963 -4.057 5.045 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.881 -8.072 7.726 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.487 -7.355 8.000 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.137 -8.195 6.471 1.00 0.00 H new ATOM 1171 N GLU A 73 -8.643 -2.345 6.361 1.00 0.00 N ATOM 1172 CA GLU A 73 -9.456 -1.409 5.665 1.00 0.00 C ATOM 1173 C GLU A 73 -8.778 -0.910 4.460 1.00 0.00 C ATOM 1174 O GLU A 73 -7.561 -0.991 4.319 1.00 0.00 O ATOM 1175 CB GLU A 73 -9.919 -0.251 6.492 1.00 0.00 C ATOM 1176 CG GLU A 73 -10.999 -0.600 7.485 1.00 0.00 C ATOM 1177 CD GLU A 73 -11.518 0.584 8.256 1.00 0.00 C ATOM 1178 OE1 GLU A 73 -10.740 1.224 9.015 1.00 0.00 O ATOM 1179 OE2 GLU A 73 -12.724 0.918 8.106 1.00 0.00 O ATOM 0 H GLU A 73 -7.872 -1.939 6.892 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.349 -1.970 5.391 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.066 0.163 7.029 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.288 0.531 5.829 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.828 -1.070 6.956 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.610 -1.337 8.187 1.00 0.00 H new ATOM 1186 N VAL A 74 -9.557 -0.406 3.607 1.00 0.00 N ATOM 1187 CA VAL A 74 -9.125 0.124 2.370 1.00 0.00 C ATOM 1188 C VAL A 74 -9.871 1.393 2.116 1.00 0.00 C ATOM 1189 O VAL A 74 -10.830 1.689 2.823 1.00 0.00 O ATOM 1190 CB VAL A 74 -9.382 -0.878 1.218 1.00 0.00 C ATOM 1191 CG1 VAL A 74 -8.435 -2.060 1.289 1.00 0.00 C ATOM 1192 CG2 VAL A 74 -10.805 -1.379 1.314 1.00 0.00 C ATOM 0 H VAL A 74 -10.565 -0.342 3.746 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.053 0.315 2.413 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.215 -0.364 0.271 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.643 -2.743 0.466 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.406 -1.707 1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -8.574 -2.581 2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.997 -2.086 0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.952 -1.875 2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -11.493 -0.538 1.231 1.00 0.00 H new ATOM 1202 N GLU A 75 -9.414 2.145 1.170 1.00 0.00 N ATOM 1203 CA GLU A 75 -10.055 3.364 0.788 1.00 0.00 C ATOM 1204 C GLU A 75 -9.783 3.623 -0.645 1.00 0.00 C ATOM 1205 O GLU A 75 -8.649 3.909 -1.006 1.00 0.00 O ATOM 1206 CB GLU A 75 -9.523 4.512 1.609 1.00 0.00 C ATOM 1207 CG GLU A 75 -10.222 5.830 1.359 1.00 0.00 C ATOM 1208 CD GLU A 75 -9.884 6.851 2.391 1.00 0.00 C ATOM 1209 OE1 GLU A 75 -8.701 7.030 2.702 1.00 0.00 O ATOM 1210 OE2 GLU A 75 -10.804 7.445 2.965 1.00 0.00 O ATOM 0 H GLU A 75 -8.574 1.929 0.632 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.128 3.274 0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.613 4.261 2.666 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.460 4.632 1.399 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.944 6.206 0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.300 5.671 1.347 1.00 0.00 H new ATOM 1217 N PHE A 76 -10.775 3.494 -1.474 1.00 0.00 N ATOM 1218 CA PHE A 76 -10.564 3.759 -2.850 1.00 0.00 C ATOM 1219 C PHE A 76 -10.482 5.220 -3.098 1.00 0.00 C ATOM 1220 O PHE A 76 -11.264 6.024 -2.545 1.00 0.00 O ATOM 1221 CB PHE A 76 -11.549 3.065 -3.760 1.00 0.00 C ATOM 1222 CG PHE A 76 -11.355 1.587 -3.817 1.00 0.00 C ATOM 1223 CD1 PHE A 76 -11.880 0.759 -2.847 1.00 0.00 C ATOM 1224 CD2 PHE A 76 -10.619 1.027 -4.843 1.00 0.00 C ATOM 1225 CE1 PHE A 76 -11.674 -0.592 -2.904 1.00 0.00 C ATOM 1226 CE2 PHE A 76 -10.415 -0.320 -4.906 1.00 0.00 C ATOM 1227 CZ PHE A 76 -10.943 -1.135 -3.933 1.00 0.00 C ATOM 0 H PHE A 76 -11.721 3.211 -1.220 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.600 3.322 -3.110 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -12.562 3.279 -3.419 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.457 3.476 -4.765 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -12.457 1.180 -2.037 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -10.199 1.665 -5.606 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -12.087 -1.233 -2.139 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -9.841 -0.744 -5.717 1.00 0.00 H new ATOM 0 HZ PHE A 76 -10.783 -2.202 -3.977 1.00 0.00 H new ATOM 1237 N ASP A 77 -9.522 5.544 -3.880 1.00 0.00 N ATOM 1238 CA ASP A 77 -9.148 6.884 -4.201 1.00 0.00 C ATOM 1239 C ASP A 77 -10.099 7.558 -5.191 1.00 0.00 C ATOM 1240 O ASP A 77 -11.174 7.036 -5.515 1.00 0.00 O ATOM 1241 CB ASP A 77 -7.768 6.858 -4.767 1.00 0.00 C ATOM 1242 CG ASP A 77 -7.636 5.873 -5.852 1.00 0.00 C ATOM 1243 OD1 ASP A 77 -7.382 4.718 -5.549 1.00 0.00 O ATOM 1244 OD2 ASP A 77 -7.816 6.259 -7.022 1.00 0.00 O ATOM 0 H ASP A 77 -8.938 4.848 -4.343 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.195 7.473 -3.285 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.512 7.848 -5.143 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.056 6.623 -3.976 1.00 0.00 H new ATOM 1249 N LYS A 78 -9.694 8.723 -5.690 1.00 0.00 N ATOM 1250 CA LYS A 78 -10.542 9.510 -6.572 1.00 0.00 C ATOM 1251 C LYS A 78 -10.064 9.440 -8.004 1.00 0.00 C ATOM 1252 O LYS A 78 -10.749 9.879 -8.940 1.00 0.00 O ATOM 1253 CB LYS A 78 -10.599 10.963 -6.103 1.00 0.00 C ATOM 1254 CG LYS A 78 -9.251 11.691 -6.203 1.00 0.00 C ATOM 1255 CD LYS A 78 -9.308 13.100 -5.641 1.00 0.00 C ATOM 1256 CE LYS A 78 -9.464 13.093 -4.129 1.00 0.00 C ATOM 1257 NZ LYS A 78 -9.560 14.458 -3.587 1.00 0.00 N ATOM 0 H LYS A 78 -8.784 9.140 -5.497 1.00 0.00 H new ATOM 0 HA LYS A 78 -11.546 9.087 -6.532 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -11.338 11.500 -6.698 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.942 10.990 -5.069 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.493 11.120 -5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.940 11.732 -7.247 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.399 13.637 -5.911 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.142 13.638 -6.091 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.357 12.530 -3.858 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.614 12.581 -3.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.666 14.414 -2.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.697 14.987 -3.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.385 14.938 -3.999 1.00 0.00 H new ATOM 1271 N GLY A 79 -8.925 8.900 -8.140 1.00 0.00 N ATOM 1272 CA GLY A 79 -8.238 8.786 -9.358 1.00 0.00 C ATOM 1273 C GLY A 79 -8.572 7.574 -10.172 1.00 0.00 C ATOM 1274 O GLY A 79 -8.982 7.673 -11.323 1.00 0.00 O ATOM 0 H GLY A 79 -8.413 8.499 -7.354 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.444 9.673 -9.957 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.167 8.782 -9.153 1.00 0.00 H new ATOM 1278 N GLN A 80 -8.407 6.425 -9.566 1.00 0.00 N ATOM 1279 CA GLN A 80 -8.495 5.171 -10.250 1.00 0.00 C ATOM 1280 C GLN A 80 -9.010 4.128 -9.271 1.00 0.00 C ATOM 1281 O GLN A 80 -9.316 4.459 -8.171 1.00 0.00 O ATOM 1282 CB GLN A 80 -7.089 4.814 -10.662 1.00 0.00 C ATOM 1283 CG GLN A 80 -6.992 4.039 -11.938 1.00 0.00 C ATOM 1284 CD GLN A 80 -7.357 4.866 -13.157 1.00 0.00 C ATOM 1285 OE1 GLN A 80 -7.863 4.352 -14.156 1.00 0.00 O ATOM 1286 NE2 GLN A 80 -7.080 6.144 -13.086 1.00 0.00 N ATOM 0 H GLN A 80 -8.205 6.339 -8.570 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.160 5.218 -11.112 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.510 5.732 -10.765 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.627 4.234 -9.864 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -5.976 3.661 -12.052 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.650 3.172 -11.882 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -6.661 6.529 -12.239 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -7.283 6.755 -13.877 1.00 0.00 H new ATOM 1295 N ARG A 81 -9.200 2.904 -9.698 1.00 0.00 N ATOM 1296 CA ARG A 81 -9.559 1.829 -8.741 1.00 0.00 C ATOM 1297 C ARG A 81 -8.697 0.583 -8.977 1.00 0.00 C ATOM 1298 O ARG A 81 -8.622 -0.319 -8.163 1.00 0.00 O ATOM 1299 CB ARG A 81 -11.049 1.482 -8.855 1.00 0.00 C ATOM 1300 CG ARG A 81 -11.972 2.665 -8.625 1.00 0.00 C ATOM 1301 CD ARG A 81 -11.823 3.185 -7.216 1.00 0.00 C ATOM 1302 NE ARG A 81 -12.769 4.269 -6.896 1.00 0.00 N ATOM 1303 CZ ARG A 81 -13.957 4.125 -6.303 1.00 0.00 C ATOM 1304 NH1 ARG A 81 -14.482 2.911 -6.128 1.00 0.00 N ATOM 1305 NH2 ARG A 81 -14.630 5.204 -5.904 1.00 0.00 N ATOM 0 H ARG A 81 -9.120 2.609 -10.671 1.00 0.00 H new ATOM 0 HA ARG A 81 -9.366 2.192 -7.732 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -11.242 1.070 -9.845 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -11.287 0.701 -8.133 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -11.742 3.457 -9.338 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -13.006 2.367 -8.802 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -11.970 2.364 -6.515 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -10.804 3.546 -7.074 1.00 0.00 H new ATOM 0 HE ARG A 81 -12.491 5.217 -7.151 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -13.976 2.085 -6.448 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -15.390 2.808 -5.674 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -14.237 6.134 -6.052 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -15.538 5.100 -5.451 1.00 0.00 H new ATOM 1319 N THR A 82 -8.022 0.599 -10.072 1.00 0.00 N ATOM 1320 CA THR A 82 -7.198 -0.472 -10.580 1.00 0.00 C ATOM 1321 C THR A 82 -5.966 0.131 -11.326 1.00 0.00 C ATOM 1322 O THR A 82 -6.113 1.085 -12.086 1.00 0.00 O ATOM 1323 CB THR A 82 -8.012 -1.384 -11.541 1.00 0.00 C ATOM 1324 OG1 THR A 82 -8.663 -0.590 -12.542 1.00 0.00 O ATOM 1325 CG2 THR A 82 -9.054 -2.220 -10.796 1.00 0.00 C ATOM 0 H THR A 82 -8.023 1.412 -10.689 1.00 0.00 H new ATOM 0 HA THR A 82 -6.855 -1.081 -9.744 1.00 0.00 H new ATOM 0 HB THR A 82 -7.306 -2.069 -12.011 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.171 -1.174 -13.143 1.00 0.00 H new ATOM 0 HG21 THR A 82 -9.598 -2.841 -11.507 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.555 -2.857 -10.066 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.752 -1.558 -10.283 1.00 0.00 H new ATOM 1333 N ASP A 83 -4.763 -0.386 -11.061 1.00 0.00 N ATOM 1334 CA ASP A 83 -3.538 0.143 -11.676 1.00 0.00 C ATOM 1335 C ASP A 83 -2.736 -0.872 -12.551 1.00 0.00 C ATOM 1336 O ASP A 83 -3.219 -1.255 -13.596 1.00 0.00 O ATOM 1337 CB ASP A 83 -2.687 0.836 -10.599 1.00 0.00 C ATOM 1338 CG ASP A 83 -1.315 1.323 -11.009 1.00 0.00 C ATOM 1339 OD1 ASP A 83 -1.192 2.337 -11.676 1.00 0.00 O ATOM 1340 OD2 ASP A 83 -0.342 0.657 -10.630 1.00 0.00 O ATOM 0 H ASP A 83 -4.609 -1.169 -10.426 1.00 0.00 H new ATOM 0 HA ASP A 83 -3.846 0.883 -12.415 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.250 1.690 -10.222 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.565 0.142 -9.767 1.00 0.00 H new ATOM 1345 N LYS A 84 -1.573 -1.362 -12.031 1.00 0.00 N ATOM 1346 CA LYS A 84 -0.540 -2.177 -12.762 1.00 0.00 C ATOM 1347 C LYS A 84 -1.092 -3.062 -13.841 1.00 0.00 C ATOM 1348 O LYS A 84 -0.886 -2.829 -15.020 1.00 0.00 O ATOM 1349 CB LYS A 84 0.276 -3.037 -11.791 1.00 0.00 C ATOM 1350 CG LYS A 84 0.916 -2.261 -10.686 1.00 0.00 C ATOM 1351 CD LYS A 84 1.869 -3.105 -9.872 1.00 0.00 C ATOM 1352 CE LYS A 84 2.564 -2.246 -8.843 1.00 0.00 C ATOM 1353 NZ LYS A 84 3.587 -2.977 -8.072 1.00 0.00 N ATOM 0 H LYS A 84 -1.314 -1.198 -11.058 1.00 0.00 H new ATOM 0 HA LYS A 84 0.094 -1.436 -13.249 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.375 -3.797 -11.358 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.051 -3.562 -12.349 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.454 -1.411 -11.106 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.142 -1.857 -10.033 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.325 -3.910 -9.379 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.605 -3.572 -10.526 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.032 -1.398 -9.343 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.821 -1.840 -8.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.039 -2.330 -7.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.139 -3.761 -7.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.306 -3.356 -8.721 1.00 0.00 H new ATOM 1367 N TYR A 85 -1.787 -4.058 -13.422 1.00 0.00 N ATOM 1368 CA TYR A 85 -2.405 -5.008 -14.312 1.00 0.00 C ATOM 1369 C TYR A 85 -3.865 -4.961 -13.958 1.00 0.00 C ATOM 1370 O TYR A 85 -4.586 -5.949 -13.991 1.00 0.00 O ATOM 1371 CB TYR A 85 -1.850 -6.409 -14.040 1.00 0.00 C ATOM 1372 CG TYR A 85 -0.335 -6.508 -13.961 1.00 0.00 C ATOM 1373 CD1 TYR A 85 0.446 -6.612 -15.103 1.00 0.00 C ATOM 1374 CD2 TYR A 85 0.308 -6.519 -12.726 1.00 0.00 C ATOM 1375 CE1 TYR A 85 1.825 -6.721 -15.016 1.00 0.00 C ATOM 1376 CE2 TYR A 85 1.676 -6.622 -12.632 1.00 0.00 C ATOM 1377 CZ TYR A 85 2.430 -6.727 -13.775 1.00 0.00 C ATOM 1378 OH TYR A 85 3.799 -6.840 -13.677 1.00 0.00 O ATOM 0 H TYR A 85 -1.953 -4.250 -12.434 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.222 -4.779 -15.362 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -2.270 -6.771 -13.102 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.200 -7.079 -14.826 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -0.027 -6.608 -16.074 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.280 -6.445 -11.823 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.422 -6.801 -15.913 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.155 -6.620 -11.664 1.00 0.00 H new ATOM 0 HH TYR A 85 4.062 -6.827 -12.733 1.00 0.00 H new ATOM 1388 N GLY A 86 -4.276 -3.768 -13.592 1.00 0.00 N ATOM 1389 CA GLY A 86 -5.591 -3.533 -13.110 1.00 0.00 C ATOM 1390 C GLY A 86 -5.744 -4.040 -11.696 1.00 0.00 C ATOM 1391 O GLY A 86 -6.777 -4.563 -11.317 1.00 0.00 O ATOM 0 H GLY A 86 -3.690 -2.934 -13.626 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.810 -2.466 -13.144 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -6.314 -4.027 -13.758 1.00 0.00 H new ATOM 1395 N ARG A 87 -4.679 -3.914 -10.925 1.00 0.00 N ATOM 1396 CA ARG A 87 -4.706 -4.282 -9.518 1.00 0.00 C ATOM 1397 C ARG A 87 -5.366 -3.143 -8.768 1.00 0.00 C ATOM 1398 O ARG A 87 -5.211 -2.038 -9.158 1.00 0.00 O ATOM 1399 CB ARG A 87 -3.294 -4.534 -9.002 1.00 0.00 C ATOM 1400 CG ARG A 87 -2.496 -5.506 -9.867 1.00 0.00 C ATOM 1401 CD ARG A 87 -3.257 -6.814 -10.087 1.00 0.00 C ATOM 1402 NE ARG A 87 -2.497 -7.771 -10.877 1.00 0.00 N ATOM 1403 CZ ARG A 87 -3.014 -8.654 -11.753 1.00 0.00 C ATOM 1404 NH1 ARG A 87 -4.322 -8.727 -11.941 1.00 0.00 N ATOM 1405 NH2 ARG A 87 -2.207 -9.470 -12.420 1.00 0.00 N ATOM 0 H ARG A 87 -3.780 -3.558 -11.250 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.266 -5.205 -9.371 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.760 -3.585 -8.948 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.351 -4.926 -7.986 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.279 -5.044 -10.830 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -1.538 -5.717 -9.391 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.501 -7.256 -9.121 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.202 -6.602 -10.588 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.484 -7.773 -10.757 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.947 -8.112 -11.421 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.705 -9.399 -12.606 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.199 -9.427 -12.268 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.595 -10.140 -13.084 1.00 0.00 H new ATOM 1419 N GLY A 88 -5.950 -3.400 -7.654 1.00 0.00 N ATOM 1420 CA GLY A 88 -6.850 -2.482 -7.069 1.00 0.00 C ATOM 1421 C GLY A 88 -6.178 -1.485 -6.293 1.00 0.00 C ATOM 1422 O GLY A 88 -5.672 -1.714 -5.212 1.00 0.00 O ATOM 0 H GLY A 88 -5.814 -4.259 -7.121 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.433 -1.998 -7.853 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.554 -3.020 -6.434 1.00 0.00 H new ATOM 1426 N LEU A 89 -6.210 -0.414 -6.845 1.00 0.00 N ATOM 1427 CA LEU A 89 -5.514 0.687 -6.504 1.00 0.00 C ATOM 1428 C LEU A 89 -6.385 1.460 -5.551 1.00 0.00 C ATOM 1429 O LEU A 89 -7.511 1.810 -5.895 1.00 0.00 O ATOM 1430 CB LEU A 89 -5.295 1.311 -7.871 1.00 0.00 C ATOM 1431 CG LEU A 89 -4.491 2.566 -8.047 1.00 0.00 C ATOM 1432 CD1 LEU A 89 -5.191 3.775 -7.508 1.00 0.00 C ATOM 1433 CD2 LEU A 89 -3.148 2.327 -7.419 1.00 0.00 C ATOM 0 H LEU A 89 -6.803 -0.255 -7.660 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.562 0.580 -5.984 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.830 0.548 -8.495 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.282 1.507 -8.290 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.362 2.788 -9.106 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.566 4.655 -7.661 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.139 3.908 -8.028 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.377 3.643 -6.442 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.532 3.220 -7.527 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.276 2.100 -6.361 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.659 1.487 -7.913 1.00 0.00 H new ATOM 1445 N ALA A 90 -5.892 1.592 -4.327 1.00 0.00 N ATOM 1446 CA ALA A 90 -6.600 2.230 -3.253 1.00 0.00 C ATOM 1447 C ALA A 90 -5.674 2.352 -2.067 1.00 0.00 C ATOM 1448 O ALA A 90 -4.542 1.814 -2.079 1.00 0.00 O ATOM 1449 CB ALA A 90 -7.795 1.375 -2.840 1.00 0.00 C ATOM 0 H ALA A 90 -4.970 1.248 -4.059 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.944 3.211 -3.580 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.328 1.864 -2.025 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.466 1.252 -3.690 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.446 0.397 -2.509 1.00 0.00 H new ATOM 1455 N TYR A 91 -6.119 3.056 -1.066 1.00 0.00 N ATOM 1456 CA TYR A 91 -5.426 3.140 0.168 1.00 0.00 C ATOM 1457 C TYR A 91 -5.703 1.912 0.975 1.00 0.00 C ATOM 1458 O TYR A 91 -6.816 1.402 0.959 1.00 0.00 O ATOM 1459 CB TYR A 91 -5.808 4.395 0.925 1.00 0.00 C ATOM 1460 CG TYR A 91 -4.804 5.461 0.746 1.00 0.00 C ATOM 1461 CD1 TYR A 91 -3.605 5.332 1.365 1.00 0.00 C ATOM 1462 CD2 TYR A 91 -5.019 6.553 -0.071 1.00 0.00 C ATOM 1463 CE1 TYR A 91 -2.624 6.242 1.215 1.00 0.00 C ATOM 1464 CE2 TYR A 91 -4.027 7.494 -0.256 1.00 0.00 C ATOM 1465 CZ TYR A 91 -2.824 7.338 0.393 1.00 0.00 C ATOM 1466 OH TYR A 91 -1.811 8.258 0.196 1.00 0.00 O ATOM 0 H TYR A 91 -6.986 3.592 -1.094 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.355 3.200 -0.027 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.780 4.748 0.580 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -5.910 4.165 1.985 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.431 4.474 1.997 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -5.970 6.671 -0.569 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.685 6.117 1.734 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.193 8.343 -0.903 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.028 7.806 -0.183 1.00 0.00 H new ATOM 1476 N ILE A 92 -4.703 1.423 1.648 1.00 0.00 N ATOM 1477 CA ILE A 92 -4.827 0.222 2.393 1.00 0.00 C ATOM 1478 C ILE A 92 -4.283 0.385 3.815 1.00 0.00 C ATOM 1479 O ILE A 92 -3.117 0.823 4.054 1.00 0.00 O ATOM 1480 CB ILE A 92 -4.161 -0.944 1.646 1.00 0.00 C ATOM 1481 CG1 ILE A 92 -4.110 -2.194 2.507 1.00 0.00 C ATOM 1482 CG2 ILE A 92 -2.806 -0.545 1.132 1.00 0.00 C ATOM 1483 CD1 ILE A 92 -3.537 -3.415 1.815 1.00 0.00 C ATOM 0 H ILE A 92 -3.779 1.853 1.691 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.887 -0.013 2.493 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.773 -1.190 0.778 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.514 -1.983 3.395 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -5.119 -2.426 2.848 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.354 -1.386 0.607 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.910 0.297 0.447 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.170 -0.256 1.969 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.540 -4.259 2.505 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.144 -3.657 0.943 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.515 -3.208 1.499 1.00 0.00 H new ATOM 1495 N TYR A 93 -5.121 0.045 4.743 1.00 0.00 N ATOM 1496 CA TYR A 93 -4.864 0.202 6.129 1.00 0.00 C ATOM 1497 C TYR A 93 -4.972 -1.155 6.825 1.00 0.00 C ATOM 1498 O TYR A 93 -6.005 -1.818 6.781 1.00 0.00 O ATOM 1499 CB TYR A 93 -5.849 1.225 6.696 1.00 0.00 C ATOM 1500 CG TYR A 93 -5.796 2.568 5.971 1.00 0.00 C ATOM 1501 CD1 TYR A 93 -4.739 3.453 6.162 1.00 0.00 C ATOM 1502 CD2 TYR A 93 -6.800 2.949 5.082 1.00 0.00 C ATOM 1503 CE1 TYR A 93 -4.690 4.647 5.515 1.00 0.00 C ATOM 1504 CE2 TYR A 93 -6.739 4.162 4.428 1.00 0.00 C ATOM 1505 CZ TYR A 93 -5.675 5.003 4.661 1.00 0.00 C ATOM 1506 OH TYR A 93 -5.587 6.201 4.023 1.00 0.00 O ATOM 0 H TYR A 93 -6.034 -0.364 4.543 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.853 0.573 6.299 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.860 0.823 6.631 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -5.635 1.380 7.753 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.941 3.185 6.839 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.635 2.287 4.903 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.859 5.315 5.684 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -7.520 4.449 3.739 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.225 6.066 3.122 1.00 0.00 H new ATOM 1516 N ALA A 94 -3.935 -1.504 7.519 1.00 0.00 N ATOM 1517 CA ALA A 94 -3.753 -2.815 8.102 1.00 0.00 C ATOM 1518 C ALA A 94 -3.703 -2.610 9.546 1.00 0.00 C ATOM 1519 O ALA A 94 -2.764 -2.049 10.066 1.00 0.00 O ATOM 1520 CB ALA A 94 -2.470 -3.466 7.622 1.00 0.00 C ATOM 0 H ALA A 94 -3.159 -0.869 7.707 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.566 -3.481 7.811 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.367 -4.449 8.081 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -2.500 -3.573 6.538 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.620 -2.844 7.902 1.00 0.00 H new ATOM 1526 N ASP A 95 -4.819 -2.897 10.150 1.00 0.00 N ATOM 1527 CA ASP A 95 -5.134 -2.669 11.569 1.00 0.00 C ATOM 1528 C ASP A 95 -5.461 -1.206 11.703 1.00 0.00 C ATOM 1529 O ASP A 95 -5.875 -0.701 12.738 1.00 0.00 O ATOM 1530 CB ASP A 95 -4.000 -3.076 12.526 1.00 0.00 C ATOM 1531 CG ASP A 95 -4.485 -3.464 13.896 1.00 0.00 C ATOM 1532 OD1 ASP A 95 -4.790 -4.665 14.105 1.00 0.00 O ATOM 1533 OD2 ASP A 95 -4.561 -2.604 14.790 1.00 0.00 O ATOM 0 H ASP A 95 -5.598 -3.325 9.650 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.973 -3.301 11.859 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -3.451 -3.912 12.093 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -3.298 -2.248 12.618 1.00 0.00 H new ATOM 1538 N GLY A 96 -5.352 -0.576 10.582 1.00 0.00 N ATOM 1539 CA GLY A 96 -5.510 0.776 10.441 1.00 0.00 C ATOM 1540 C GLY A 96 -4.207 1.454 10.156 1.00 0.00 C ATOM 1541 O GLY A 96 -4.158 2.668 9.970 1.00 0.00 O ATOM 0 H GLY A 96 -5.136 -1.049 9.704 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -6.211 0.979 9.632 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.945 1.189 11.351 1.00 0.00 H new ATOM 1545 N LYS A 97 -3.145 0.680 10.130 1.00 0.00 N ATOM 1546 CA LYS A 97 -1.848 1.211 9.845 1.00 0.00 C ATOM 1547 C LYS A 97 -1.736 1.264 8.353 1.00 0.00 C ATOM 1548 O LYS A 97 -1.982 0.270 7.691 1.00 0.00 O ATOM 1549 CB LYS A 97 -0.738 0.302 10.389 1.00 0.00 C ATOM 1550 CG LYS A 97 -0.904 -0.184 11.832 1.00 0.00 C ATOM 1551 CD LYS A 97 -1.313 0.921 12.773 1.00 0.00 C ATOM 1552 CE LYS A 97 -1.371 0.429 14.197 1.00 0.00 C ATOM 1553 NZ LYS A 97 -1.874 1.462 15.118 1.00 0.00 N ATOM 0 H LYS A 97 -3.164 -0.325 10.305 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.733 2.189 10.312 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.663 -0.571 9.741 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.209 0.837 10.315 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.652 -0.976 11.861 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.035 -0.619 12.175 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.605 1.746 12.699 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.288 1.310 12.480 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.014 -0.449 14.251 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.376 0.115 14.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.898 1.082 16.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.246 2.291 15.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.834 1.744 14.833 1.00 0.00 H new ATOM 1567 N MET A 98 -1.403 2.382 7.828 1.00 0.00 N ATOM 1568 CA MET A 98 -1.320 2.560 6.419 1.00 0.00 C ATOM 1569 C MET A 98 -0.185 1.765 5.856 1.00 0.00 C ATOM 1570 O MET A 98 0.996 2.078 6.079 1.00 0.00 O ATOM 1571 CB MET A 98 -1.228 4.036 6.104 1.00 0.00 C ATOM 1572 CG MET A 98 -1.035 4.405 4.644 1.00 0.00 C ATOM 1573 SD MET A 98 -1.906 5.923 4.239 1.00 0.00 S ATOM 1574 CE MET A 98 -1.378 7.018 5.552 1.00 0.00 C ATOM 0 H MET A 98 -1.176 3.216 8.369 1.00 0.00 H new ATOM 0 HA MET A 98 -2.222 2.181 5.938 1.00 0.00 H new ATOM 0 HB2 MET A 98 -2.138 4.519 6.461 1.00 0.00 H new ATOM 0 HB3 MET A 98 -0.400 4.456 6.675 1.00 0.00 H new ATOM 0 HG2 MET A 98 0.028 4.525 4.434 1.00 0.00 H new ATOM 0 HG3 MET A 98 -1.396 3.595 4.010 1.00 0.00 H new ATOM 0 HE1 MET A 98 -1.454 8.052 5.216 1.00 0.00 H new ATOM 0 HE2 MET A 98 -2.014 6.872 6.425 1.00 0.00 H new ATOM 0 HE3 MET A 98 -0.344 6.798 5.816 1.00 0.00 H new ATOM 1584 N VAL A 99 -0.553 0.726 5.126 1.00 0.00 N ATOM 1585 CA VAL A 99 0.399 -0.210 4.560 1.00 0.00 C ATOM 1586 C VAL A 99 1.288 0.516 3.594 1.00 0.00 C ATOM 1587 O VAL A 99 2.492 0.301 3.560 1.00 0.00 O ATOM 1588 CB VAL A 99 -0.338 -1.378 3.847 1.00 0.00 C ATOM 1589 CG1 VAL A 99 0.623 -2.351 3.226 1.00 0.00 C ATOM 1590 CG2 VAL A 99 -1.237 -2.112 4.811 1.00 0.00 C ATOM 0 H VAL A 99 -1.526 0.508 4.909 1.00 0.00 H new ATOM 0 HA VAL A 99 1.004 -0.635 5.361 1.00 0.00 H new ATOM 0 HB VAL A 99 -0.939 -0.934 3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.066 -3.151 2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.238 -1.835 2.488 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.264 -2.774 4.000 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.742 -2.925 4.290 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.640 -2.519 5.627 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.979 -1.422 5.214 1.00 0.00 H new ATOM 1600 N ASN A 100 0.694 1.467 2.902 1.00 0.00 N ATOM 1601 CA ASN A 100 1.395 2.230 1.893 1.00 0.00 C ATOM 1602 C ASN A 100 2.590 2.973 2.578 1.00 0.00 C ATOM 1603 O ASN A 100 3.814 2.808 2.210 1.00 0.00 O ATOM 1604 CB ASN A 100 0.424 3.238 1.198 1.00 0.00 C ATOM 1605 CG ASN A 100 -0.935 2.674 0.826 1.00 0.00 C ATOM 1606 OD1 ASN A 100 -1.830 2.579 1.670 1.00 0.00 O ATOM 1607 ND2 ASN A 100 -1.140 2.418 -0.417 1.00 0.00 N ATOM 0 H ASN A 100 -0.284 1.731 3.023 1.00 0.00 H new ATOM 0 HA ASN A 100 1.779 1.566 1.119 1.00 0.00 H new ATOM 0 HB2 ASN A 100 0.277 4.091 1.860 1.00 0.00 H new ATOM 0 HB3 ASN A 100 0.903 3.615 0.294 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -2.065 2.126 -0.732 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -0.377 2.507 -1.089 1.00 0.00 H new ATOM 1614 N GLU A 101 2.225 3.660 3.661 1.00 0.00 N ATOM 1615 CA GLU A 101 3.133 4.441 4.492 1.00 0.00 C ATOM 1616 C GLU A 101 4.168 3.537 5.033 1.00 0.00 C ATOM 1617 O GLU A 101 5.324 3.728 4.816 1.00 0.00 O ATOM 1618 CB GLU A 101 2.392 5.021 5.699 1.00 0.00 C ATOM 1619 CG GLU A 101 3.232 5.937 6.602 1.00 0.00 C ATOM 1620 CD GLU A 101 2.526 6.326 7.879 1.00 0.00 C ATOM 1621 OE1 GLU A 101 2.156 5.433 8.661 1.00 0.00 O ATOM 1622 OE2 GLU A 101 2.391 7.510 8.157 1.00 0.00 O ATOM 0 H GLU A 101 1.260 3.687 3.991 1.00 0.00 H new ATOM 0 HA GLU A 101 3.556 5.241 3.884 1.00 0.00 H new ATOM 0 HB2 GLU A 101 1.529 5.583 5.340 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.008 4.197 6.300 1.00 0.00 H new ATOM 0 HG2 GLU A 101 4.166 5.433 6.850 1.00 0.00 H new ATOM 0 HG3 GLU A 101 3.493 6.840 6.050 1.00 0.00 H new ATOM 1629 N ALA A 102 3.711 2.521 5.716 1.00 0.00 N ATOM 1630 CA ALA A 102 4.568 1.606 6.381 1.00 0.00 C ATOM 1631 C ALA A 102 5.562 0.963 5.436 1.00 0.00 C ATOM 1632 O ALA A 102 6.734 0.851 5.767 1.00 0.00 O ATOM 1633 CB ALA A 102 3.748 0.606 7.112 1.00 0.00 C ATOM 0 H ALA A 102 2.718 2.312 5.821 1.00 0.00 H new ATOM 0 HA ALA A 102 5.171 2.153 7.106 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.404 -0.098 7.624 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.120 1.115 7.844 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.117 0.067 6.406 1.00 0.00 H new ATOM 1639 N LEU A 103 5.132 0.654 4.221 1.00 0.00 N ATOM 1640 CA LEU A 103 6.041 0.056 3.267 1.00 0.00 C ATOM 1641 C LEU A 103 7.075 1.056 2.842 1.00 0.00 C ATOM 1642 O LEU A 103 8.283 0.758 2.840 1.00 0.00 O ATOM 1643 CB LEU A 103 5.320 -0.550 2.055 1.00 0.00 C ATOM 1644 CG LEU A 103 4.962 -2.041 2.156 1.00 0.00 C ATOM 1645 CD1 LEU A 103 6.219 -2.883 2.181 1.00 0.00 C ATOM 1646 CD2 LEU A 103 4.139 -2.325 3.389 1.00 0.00 C ATOM 0 H LEU A 103 4.182 0.805 3.882 1.00 0.00 H new ATOM 0 HA LEU A 103 6.537 -0.775 3.769 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.402 0.012 1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.948 -0.407 1.176 1.00 0.00 H new ATOM 0 HG LEU A 103 4.369 -2.299 1.278 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.950 -3.937 2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.788 -2.715 1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.827 -2.604 3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.902 -3.388 3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 103 4.705 -2.044 4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.215 -1.749 3.350 1.00 0.00 H new ATOM 1658 N VAL A 104 6.636 2.272 2.547 1.00 0.00 N ATOM 1659 CA VAL A 104 7.601 3.300 2.154 1.00 0.00 C ATOM 1660 C VAL A 104 8.434 3.796 3.378 1.00 0.00 C ATOM 1661 O VAL A 104 9.541 4.311 3.240 1.00 0.00 O ATOM 1662 CB VAL A 104 6.901 4.469 1.402 1.00 0.00 C ATOM 1663 CG1 VAL A 104 6.026 5.275 2.276 1.00 0.00 C ATOM 1664 CG2 VAL A 104 7.861 5.331 0.640 1.00 0.00 C ATOM 0 H VAL A 104 5.660 2.568 2.569 1.00 0.00 H new ATOM 0 HA VAL A 104 8.307 2.850 1.456 1.00 0.00 H new ATOM 0 HB VAL A 104 6.255 3.989 0.667 1.00 0.00 H new ATOM 0 HG11 VAL A 104 5.567 6.074 1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.247 4.639 2.697 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.617 5.708 3.083 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.314 6.128 0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 104 8.585 5.766 1.329 1.00 0.00 H new ATOM 0 HG23 VAL A 104 8.384 4.726 -0.101 1.00 0.00 H new ATOM 1674 N ARG A 105 7.923 3.517 4.562 1.00 0.00 N ATOM 1675 CA ARG A 105 8.505 3.942 5.831 1.00 0.00 C ATOM 1676 C ARG A 105 9.526 2.941 6.249 1.00 0.00 C ATOM 1677 O ARG A 105 10.428 3.238 7.004 1.00 0.00 O ATOM 1678 CB ARG A 105 7.409 3.948 6.883 1.00 0.00 C ATOM 1679 CG ARG A 105 7.775 4.488 8.235 1.00 0.00 C ATOM 1680 CD ARG A 105 8.050 5.969 8.201 1.00 0.00 C ATOM 1681 NE ARG A 105 8.095 6.490 9.568 1.00 0.00 N ATOM 1682 CZ ARG A 105 7.197 7.318 10.121 1.00 0.00 C ATOM 1683 NH1 ARG A 105 6.278 7.946 9.374 1.00 0.00 N ATOM 1684 NH2 ARG A 105 7.250 7.547 11.425 1.00 0.00 N ATOM 0 H ARG A 105 7.068 2.973 4.676 1.00 0.00 H new ATOM 0 HA ARG A 105 8.953 4.930 5.724 1.00 0.00 H new ATOM 0 HB2 ARG A 105 6.572 4.531 6.499 1.00 0.00 H new ATOM 0 HB3 ARG A 105 7.054 2.925 7.010 1.00 0.00 H new ATOM 0 HG2 ARG A 105 6.965 4.287 8.936 1.00 0.00 H new ATOM 0 HG3 ARG A 105 8.656 3.965 8.607 1.00 0.00 H new ATOM 0 HD2 ARG A 105 8.996 6.162 7.696 1.00 0.00 H new ATOM 0 HD3 ARG A 105 7.274 6.480 7.631 1.00 0.00 H new ATOM 0 HE ARG A 105 8.879 6.197 10.152 1.00 0.00 H new ATOM 0 HH11 ARG A 105 6.253 7.798 8.365 1.00 0.00 H new ATOM 0 HH12 ARG A 105 5.604 8.572 9.814 1.00 0.00 H new ATOM 0 HH21 ARG A 105 7.967 7.096 11.993 1.00 0.00 H new ATOM 0 HH22 ARG A 105 6.574 8.174 11.861 1.00 0.00 H new ATOM 1698 N GLN A 106 9.311 1.733 5.808 1.00 0.00 N ATOM 1699 CA GLN A 106 10.150 0.641 6.063 1.00 0.00 C ATOM 1700 C GLN A 106 11.282 0.514 5.076 1.00 0.00 C ATOM 1701 O GLN A 106 12.089 -0.409 5.181 1.00 0.00 O ATOM 1702 CB GLN A 106 9.334 -0.610 6.039 1.00 0.00 C ATOM 1703 CG GLN A 106 8.898 -1.081 7.403 1.00 0.00 C ATOM 1704 CD GLN A 106 10.071 -1.485 8.293 1.00 0.00 C ATOM 1705 OE1 GLN A 106 10.018 -1.347 9.512 1.00 0.00 O ATOM 1706 NE2 GLN A 106 11.128 -1.986 7.700 1.00 0.00 N ATOM 0 H GLN A 106 8.502 1.493 5.235 1.00 0.00 H new ATOM 0 HA GLN A 106 10.602 0.804 7.041 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.450 -0.444 5.423 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.912 -1.400 5.560 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.333 -0.288 7.893 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.224 -1.930 7.291 1.00 0.00 H new ATOM 0 HE21 GLN A 106 11.143 -2.089 6.685 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.935 -2.273 8.254 1.00 0.00 H new ATOM 1715 N GLY A 107 11.365 1.420 4.131 1.00 0.00 N ATOM 1716 CA GLY A 107 12.409 1.323 3.156 1.00 0.00 C ATOM 1717 C GLY A 107 12.147 0.182 2.227 1.00 0.00 C ATOM 1718 O GLY A 107 13.071 -0.439 1.724 1.00 0.00 O ATOM 0 H GLY A 107 10.734 2.214 4.022 1.00 0.00 H new ATOM 0 HA2 GLY A 107 12.476 2.253 2.591 1.00 0.00 H new ATOM 0 HA3 GLY A 107 13.369 1.183 3.654 1.00 0.00 H new ATOM 1722 N LEU A 108 10.887 -0.134 2.059 1.00 0.00 N ATOM 1723 CA LEU A 108 10.468 -1.152 1.145 1.00 0.00 C ATOM 1724 C LEU A 108 9.583 -0.562 0.093 1.00 0.00 C ATOM 1725 O LEU A 108 8.820 -1.262 -0.531 1.00 0.00 O ATOM 1726 CB LEU A 108 9.733 -2.316 1.823 1.00 0.00 C ATOM 1727 CG LEU A 108 10.553 -3.398 2.528 1.00 0.00 C ATOM 1728 CD1 LEU A 108 11.917 -3.635 1.922 1.00 0.00 C ATOM 1729 CD2 LEU A 108 10.576 -3.292 4.017 1.00 0.00 C ATOM 0 H LEU A 108 10.121 0.316 2.560 1.00 0.00 H new ATOM 0 HA LEU A 108 11.378 -1.558 0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 108 9.049 -1.891 2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 108 9.123 -2.807 1.065 1.00 0.00 H new ATOM 0 HG LEU A 108 9.992 -4.311 2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 108 12.432 -4.416 2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 108 11.805 -3.945 0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.499 -2.714 1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 108 11.180 -4.100 4.430 1.00 0.00 H new ATOM 0 HD22 LEU A 108 11.005 -2.333 4.307 1.00 0.00 H new ATOM 0 HD23 LEU A 108 9.559 -3.366 4.403 1.00 0.00 H new ATOM 1741 N ALA A 109 9.693 0.718 -0.097 1.00 0.00 N ATOM 1742 CA ALA A 109 8.968 1.418 -1.120 1.00 0.00 C ATOM 1743 C ALA A 109 9.497 2.788 -1.240 1.00 0.00 C ATOM 1744 O ALA A 109 10.202 3.279 -0.357 1.00 0.00 O ATOM 1745 CB ALA A 109 7.481 1.478 -0.815 1.00 0.00 C ATOM 0 H ALA A 109 10.299 1.318 0.463 1.00 0.00 H new ATOM 0 HA ALA A 109 9.097 0.875 -2.056 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.967 2.015 -1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.083 0.466 -0.745 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.324 1.996 0.131 1.00 0.00 H new ATOM 1751 N LYS A 110 9.205 3.358 -2.343 1.00 0.00 N ATOM 1752 CA LYS A 110 9.491 4.712 -2.639 1.00 0.00 C ATOM 1753 C LYS A 110 8.149 5.342 -2.825 1.00 0.00 C ATOM 1754 O LYS A 110 7.171 4.613 -3.140 1.00 0.00 O ATOM 1755 CB LYS A 110 10.273 4.848 -3.956 1.00 0.00 C ATOM 1756 CG LYS A 110 11.574 4.057 -4.048 1.00 0.00 C ATOM 1757 CD LYS A 110 12.358 4.428 -5.318 1.00 0.00 C ATOM 1758 CE LYS A 110 11.590 4.082 -6.596 1.00 0.00 C ATOM 1759 NZ LYS A 110 11.463 2.626 -6.789 1.00 0.00 N ATOM 0 H LYS A 110 8.735 2.871 -3.106 1.00 0.00 H new ATOM 0 HA LYS A 110 10.094 5.167 -1.853 1.00 0.00 H new ATOM 0 HB2 LYS A 110 9.624 4.537 -4.774 1.00 0.00 H new ATOM 0 HB3 LYS A 110 10.501 5.902 -4.113 1.00 0.00 H new ATOM 0 HG2 LYS A 110 12.186 4.254 -3.168 1.00 0.00 H new ATOM 0 HG3 LYS A 110 11.355 2.989 -4.051 1.00 0.00 H new ATOM 0 HD2 LYS A 110 12.579 5.495 -5.307 1.00 0.00 H new ATOM 0 HD3 LYS A 110 13.314 3.904 -5.318 1.00 0.00 H new ATOM 0 HE2 LYS A 110 10.597 4.530 -6.554 1.00 0.00 H new ATOM 0 HE3 LYS A 110 12.101 4.518 -7.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 12.013 2.337 -7.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 11.823 2.132 -5.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 10.463 2.381 -6.933 1.00 0.00 H new ATOM 1773 N VAL A 111 8.056 6.621 -2.632 1.00 0.00 N ATOM 1774 CA VAL A 111 6.811 7.293 -2.839 1.00 0.00 C ATOM 1775 C VAL A 111 6.588 7.443 -4.326 1.00 0.00 C ATOM 1776 O VAL A 111 7.368 8.078 -5.046 1.00 0.00 O ATOM 1777 CB VAL A 111 6.695 8.658 -2.081 1.00 0.00 C ATOM 1778 CG1 VAL A 111 7.836 9.590 -2.413 1.00 0.00 C ATOM 1779 CG2 VAL A 111 5.360 9.333 -2.370 1.00 0.00 C ATOM 0 H VAL A 111 8.825 7.220 -2.332 1.00 0.00 H new ATOM 0 HA VAL A 111 6.019 6.682 -2.406 1.00 0.00 H new ATOM 0 HB VAL A 111 6.751 8.434 -1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 111 7.714 10.524 -1.865 1.00 0.00 H new ATOM 0 HG12 VAL A 111 8.780 9.124 -2.131 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.838 9.795 -3.483 1.00 0.00 H new ATOM 0 HG21 VAL A 111 5.306 10.279 -1.831 1.00 0.00 H new ATOM 0 HG22 VAL A 111 5.271 9.520 -3.440 1.00 0.00 H new ATOM 0 HG23 VAL A 111 4.546 8.684 -2.046 1.00 0.00 H new ATOM 1789 N ALA A 112 5.593 6.791 -4.794 1.00 0.00 N ATOM 1790 CA ALA A 112 5.294 6.792 -6.179 1.00 0.00 C ATOM 1791 C ALA A 112 4.218 7.794 -6.469 1.00 0.00 C ATOM 1792 O ALA A 112 3.838 8.576 -5.606 1.00 0.00 O ATOM 1793 CB ALA A 112 4.870 5.412 -6.619 1.00 0.00 C ATOM 0 H ALA A 112 4.955 6.235 -4.224 1.00 0.00 H new ATOM 0 HA ALA A 112 6.187 7.071 -6.737 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.642 5.424 -7.685 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.677 4.705 -6.428 1.00 0.00 H new ATOM 0 HB3 ALA A 112 3.983 5.109 -6.062 1.00 0.00 H new ATOM 1799 N TYR A 113 3.719 7.747 -7.652 1.00 0.00 N ATOM 1800 CA TYR A 113 2.686 8.625 -8.088 1.00 0.00 C ATOM 1801 C TYR A 113 1.906 7.819 -9.057 1.00 0.00 C ATOM 1802 O TYR A 113 2.407 7.424 -10.103 1.00 0.00 O ATOM 1803 CB TYR A 113 3.231 9.901 -8.747 1.00 0.00 C ATOM 1804 CG TYR A 113 2.278 11.109 -8.689 1.00 0.00 C ATOM 1805 CD1 TYR A 113 0.988 11.031 -8.124 1.00 0.00 C ATOM 1806 CD2 TYR A 113 2.690 12.347 -9.157 1.00 0.00 C ATOM 1807 CE1 TYR A 113 0.189 12.132 -8.035 1.00 0.00 C ATOM 1808 CE2 TYR A 113 1.866 13.455 -9.071 1.00 0.00 C ATOM 1809 CZ TYR A 113 0.623 13.334 -8.502 1.00 0.00 C ATOM 1810 OH TYR A 113 -0.191 14.434 -8.365 1.00 0.00 O ATOM 0 H TYR A 113 4.023 7.082 -8.363 1.00 0.00 H new ATOM 0 HA TYR A 113 2.088 8.981 -7.249 1.00 0.00 H new ATOM 0 HB2 TYR A 113 4.170 10.172 -8.263 1.00 0.00 H new ATOM 0 HB3 TYR A 113 3.461 9.686 -9.791 1.00 0.00 H new ATOM 0 HD1 TYR A 113 0.627 10.082 -7.755 1.00 0.00 H new ATOM 0 HD2 TYR A 113 3.671 12.448 -9.596 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -0.793 12.050 -7.592 1.00 0.00 H new ATOM 0 HE2 TYR A 113 2.199 14.410 -9.450 1.00 0.00 H new ATOM 0 HH TYR A 113 -0.445 14.538 -7.424 1.00 0.00 H new ATOM 1820 N VAL A 114 0.733 7.518 -8.674 1.00 0.00 N ATOM 1821 CA VAL A 114 -0.097 6.605 -9.394 1.00 0.00 C ATOM 1822 C VAL A 114 -0.846 7.233 -10.547 1.00 0.00 C ATOM 1823 O VAL A 114 -0.556 6.961 -11.709 1.00 0.00 O ATOM 1824 CB VAL A 114 -1.054 5.888 -8.438 1.00 0.00 C ATOM 1825 CG1 VAL A 114 -0.333 4.698 -7.817 1.00 0.00 C ATOM 1826 CG2 VAL A 114 -1.490 6.835 -7.308 1.00 0.00 C ATOM 0 H VAL A 114 0.299 7.900 -7.834 1.00 0.00 H new ATOM 0 HA VAL A 114 0.574 5.876 -9.849 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.931 5.561 -8.996 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -1.007 4.180 -7.134 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -0.017 4.013 -8.604 1.00 0.00 H new ATOM 0 HG13 VAL A 114 0.541 5.048 -7.268 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -2.170 6.311 -6.636 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.613 7.165 -6.751 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -1.996 7.701 -7.734 1.00 0.00 H new ATOM 1836 N TYR A 115 -1.792 8.049 -10.223 1.00 0.00 N ATOM 1837 CA TYR A 115 -2.613 8.718 -11.146 1.00 0.00 C ATOM 1838 C TYR A 115 -2.858 10.056 -10.553 1.00 0.00 C ATOM 1839 O TYR A 115 -2.947 10.146 -9.316 1.00 0.00 O ATOM 1840 CB TYR A 115 -3.948 7.966 -11.382 1.00 0.00 C ATOM 1841 CG TYR A 115 -3.784 6.629 -12.029 1.00 0.00 C ATOM 1842 CD1 TYR A 115 -3.685 6.530 -13.403 1.00 0.00 C ATOM 1843 CD2 TYR A 115 -3.731 5.460 -11.270 1.00 0.00 C ATOM 1844 CE1 TYR A 115 -3.541 5.317 -14.027 1.00 0.00 C ATOM 1845 CE2 TYR A 115 -3.581 4.233 -11.894 1.00 0.00 C ATOM 1846 CZ TYR A 115 -3.488 4.173 -13.279 1.00 0.00 C ATOM 1847 OH TYR A 115 -3.351 2.958 -13.916 1.00 0.00 O ATOM 0 H TYR A 115 -2.016 8.271 -9.253 1.00 0.00 H new ATOM 0 HA TYR A 115 -2.135 8.782 -12.124 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -4.454 7.836 -10.426 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -4.596 8.583 -12.005 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -3.722 7.429 -14.000 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -3.807 5.512 -10.194 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -3.470 5.265 -15.103 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.537 3.327 -11.307 1.00 0.00 H new ATOM 0 HH TYR A 115 -2.679 2.418 -13.450 1.00 0.00 H new ATOM 1857 N LYS A 116 -2.883 11.089 -11.368 1.00 0.00 N ATOM 1858 CA LYS A 116 -3.143 12.436 -10.894 1.00 0.00 C ATOM 1859 C LYS A 116 -4.459 12.466 -10.157 1.00 0.00 C ATOM 1860 O LYS A 116 -5.523 12.308 -10.739 1.00 0.00 O ATOM 1861 CB LYS A 116 -3.158 13.452 -12.037 1.00 0.00 C ATOM 1862 CG LYS A 116 -3.338 14.869 -11.533 1.00 0.00 C ATOM 1863 CD LYS A 116 -2.110 15.345 -10.786 1.00 0.00 C ATOM 1864 CE LYS A 116 -2.481 16.361 -9.742 1.00 0.00 C ATOM 1865 NZ LYS A 116 -1.287 16.900 -9.044 1.00 0.00 N ATOM 0 H LYS A 116 -2.725 11.022 -12.373 1.00 0.00 H new ATOM 0 HA LYS A 116 -2.334 12.717 -10.220 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -2.225 13.382 -12.597 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -3.964 13.208 -12.729 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -3.536 15.534 -12.373 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -4.207 14.917 -10.877 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -1.614 14.497 -10.314 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -1.398 15.781 -11.487 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -3.028 17.179 -10.210 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -3.152 15.905 -9.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -1.589 17.559 -8.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -0.751 16.117 -8.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -0.683 17.402 -9.726 1.00 0.00 H new ATOM 1879 N GLY A 117 -4.358 12.592 -8.876 1.00 0.00 N ATOM 1880 CA GLY A 117 -5.486 12.609 -8.052 1.00 0.00 C ATOM 1881 C GLY A 117 -5.215 11.818 -6.832 1.00 0.00 C ATOM 1882 O GLY A 117 -5.531 12.216 -5.707 1.00 0.00 O ATOM 0 H GLY A 117 -3.472 12.686 -8.380 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -5.739 13.635 -7.785 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -6.344 12.197 -8.583 1.00 0.00 H new ATOM 1886 N ASN A 118 -4.543 10.729 -7.049 1.00 0.00 N ATOM 1887 CA ASN A 118 -4.278 9.764 -6.022 1.00 0.00 C ATOM 1888 C ASN A 118 -2.949 10.030 -5.465 1.00 0.00 C ATOM 1889 O ASN A 118 -1.940 9.575 -5.981 1.00 0.00 O ATOM 1890 CB ASN A 118 -4.372 8.350 -6.578 1.00 0.00 C ATOM 1891 CG ASN A 118 -5.639 8.165 -7.283 1.00 0.00 C ATOM 1892 OD1 ASN A 118 -6.646 8.734 -6.867 1.00 0.00 O ATOM 1893 ND2 ASN A 118 -5.599 7.503 -8.440 1.00 0.00 N ATOM 0 H ASN A 118 -4.156 10.480 -7.959 1.00 0.00 H new ATOM 0 HA ASN A 118 -5.023 9.848 -5.231 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -3.540 8.163 -7.257 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -4.291 7.627 -5.767 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -6.431 7.451 -9.027 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -4.736 7.048 -8.738 1.00 0.00 H new ATOM 1900 N ASN A 119 -2.953 10.861 -4.476 1.00 0.00 N ATOM 1901 CA ASN A 119 -1.748 11.320 -3.813 1.00 0.00 C ATOM 1902 C ASN A 119 -2.141 12.133 -2.604 1.00 0.00 C ATOM 1903 O ASN A 119 -1.374 12.932 -2.077 1.00 0.00 O ATOM 1904 CB ASN A 119 -0.838 12.124 -4.796 1.00 0.00 C ATOM 1905 CG ASN A 119 -1.418 13.436 -5.333 1.00 0.00 C ATOM 1906 OD1 ASN A 119 -0.701 14.405 -5.562 1.00 0.00 O ATOM 1907 ND2 ASN A 119 -2.669 13.447 -5.640 1.00 0.00 N ATOM 0 H ASN A 119 -3.808 11.257 -4.087 1.00 0.00 H new ATOM 0 HA ASN A 119 -1.158 10.466 -3.482 1.00 0.00 H new ATOM 0 HB2 ASN A 119 0.101 12.346 -4.290 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -0.599 11.482 -5.644 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -3.079 14.270 -6.081 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -3.250 12.632 -5.442 1.00 0.00 H new ATOM 1914 N THR A 120 -3.301 11.809 -2.086 1.00 0.00 N ATOM 1915 CA THR A 120 -3.914 12.518 -0.999 1.00 0.00 C ATOM 1916 C THR A 120 -3.065 12.458 0.272 1.00 0.00 C ATOM 1917 O THR A 120 -3.113 13.359 1.102 1.00 0.00 O ATOM 1918 CB THR A 120 -5.299 11.940 -0.783 1.00 0.00 C ATOM 1919 OG1 THR A 120 -5.794 11.548 -2.086 1.00 0.00 O ATOM 1920 CG2 THR A 120 -6.224 12.994 -0.216 1.00 0.00 C ATOM 0 H THR A 120 -3.857 11.022 -2.421 1.00 0.00 H new ATOM 0 HA THR A 120 -3.993 13.576 -1.249 1.00 0.00 H new ATOM 0 HB THR A 120 -5.257 11.101 -0.089 1.00 0.00 H new ATOM 0 HG1 THR A 120 -6.691 11.165 -1.993 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.215 12.566 -0.066 1.00 0.00 H new ATOM 0 HG22 THR A 120 -5.833 13.346 0.738 1.00 0.00 H new ATOM 0 HG23 THR A 120 -6.292 13.831 -0.911 1.00 0.00 H new ATOM 1928 N HIS A 121 -2.281 11.418 0.412 1.00 0.00 N ATOM 1929 CA HIS A 121 -1.339 11.344 1.470 1.00 0.00 C ATOM 1930 C HIS A 121 0.041 11.132 0.941 1.00 0.00 C ATOM 1931 O HIS A 121 0.922 10.707 1.667 1.00 0.00 O ATOM 1932 CB HIS A 121 -1.708 10.296 2.475 1.00 0.00 C ATOM 1933 CG HIS A 121 -2.749 10.758 3.431 1.00 0.00 C ATOM 1934 ND1 HIS A 121 -3.959 10.131 3.663 1.00 0.00 N ATOM 1935 CD2 HIS A 121 -2.705 11.813 4.263 1.00 0.00 C ATOM 1936 CE1 HIS A 121 -4.589 10.812 4.616 1.00 0.00 C ATOM 1937 NE2 HIS A 121 -3.867 11.850 5.021 1.00 0.00 N ATOM 0 H HIS A 121 -2.287 10.608 -0.208 1.00 0.00 H new ATOM 0 HA HIS A 121 -1.356 12.301 1.991 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -2.068 9.409 1.953 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -0.817 10.000 3.029 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -1.892 12.521 4.331 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -5.561 10.554 5.009 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -4.114 12.531 5.738 1.00 0.00 H new ATOM 1945 N GLU A 122 0.254 11.543 -0.308 1.00 0.00 N ATOM 1946 CA GLU A 122 1.559 11.425 -0.957 1.00 0.00 C ATOM 1947 C GLU A 122 2.607 12.160 -0.153 1.00 0.00 C ATOM 1948 O GLU A 122 3.733 11.700 -0.036 1.00 0.00 O ATOM 1949 CB GLU A 122 1.498 11.995 -2.350 1.00 0.00 C ATOM 1950 CG GLU A 122 2.821 12.038 -3.091 1.00 0.00 C ATOM 1951 CD GLU A 122 2.778 12.921 -4.309 1.00 0.00 C ATOM 1952 OE1 GLU A 122 2.771 14.162 -4.149 1.00 0.00 O ATOM 1953 OE2 GLU A 122 2.800 12.411 -5.432 1.00 0.00 O ATOM 0 H GLU A 122 -0.466 11.964 -0.895 1.00 0.00 H new ATOM 0 HA GLU A 122 1.826 10.370 -1.014 1.00 0.00 H new ATOM 0 HB2 GLU A 122 0.792 11.406 -2.935 1.00 0.00 H new ATOM 0 HB3 GLU A 122 1.099 13.008 -2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 122 3.599 12.395 -2.416 1.00 0.00 H new ATOM 0 HG3 GLU A 122 3.098 11.027 -3.390 1.00 0.00 H new ATOM 1960 N GLN A 123 2.207 13.276 0.459 1.00 0.00 N ATOM 1961 CA GLN A 123 3.123 14.036 1.285 1.00 0.00 C ATOM 1962 C GLN A 123 3.628 13.193 2.468 1.00 0.00 C ATOM 1963 O GLN A 123 4.833 13.170 2.781 1.00 0.00 O ATOM 1964 CB GLN A 123 2.569 15.413 1.730 1.00 0.00 C ATOM 1965 CG GLN A 123 1.187 15.438 2.394 1.00 0.00 C ATOM 1966 CD GLN A 123 0.056 15.598 1.386 1.00 0.00 C ATOM 1967 OE1 GLN A 123 -0.331 16.715 1.040 1.00 0.00 O ATOM 1968 NE2 GLN A 123 -0.529 14.526 0.954 1.00 0.00 N ATOM 0 H GLN A 123 1.266 13.663 0.395 1.00 0.00 H new ATOM 0 HA GLN A 123 3.980 14.274 0.655 1.00 0.00 H new ATOM 0 HB2 GLN A 123 3.284 15.855 2.424 1.00 0.00 H new ATOM 0 HB3 GLN A 123 2.533 16.060 0.854 1.00 0.00 H new ATOM 0 HG2 GLN A 123 1.041 14.515 2.955 1.00 0.00 H new ATOM 0 HG3 GLN A 123 1.148 16.257 3.112 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -0.196 13.609 1.250 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -1.323 14.599 0.318 1.00 0.00 H new ATOM 1977 N LEU A 124 2.734 12.424 3.031 1.00 0.00 N ATOM 1978 CA LEU A 124 3.059 11.542 4.108 1.00 0.00 C ATOM 1979 C LEU A 124 3.982 10.429 3.622 1.00 0.00 C ATOM 1980 O LEU A 124 4.928 10.051 4.311 1.00 0.00 O ATOM 1981 CB LEU A 124 1.762 11.022 4.775 1.00 0.00 C ATOM 1982 CG LEU A 124 1.854 9.746 5.621 1.00 0.00 C ATOM 1983 CD1 LEU A 124 0.744 9.712 6.636 1.00 0.00 C ATOM 1984 CD2 LEU A 124 1.713 8.522 4.730 1.00 0.00 C ATOM 0 H LEU A 124 1.754 12.396 2.749 1.00 0.00 H new ATOM 0 HA LEU A 124 3.611 12.081 4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 124 1.370 11.817 5.410 1.00 0.00 H new ATOM 0 HB3 LEU A 124 1.027 10.850 3.989 1.00 0.00 H new ATOM 0 HG LEU A 124 2.821 9.741 6.124 1.00 0.00 H new ATOM 0 HD11 LEU A 124 0.821 8.801 7.229 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.823 10.580 7.291 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.218 9.731 6.124 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.779 7.620 5.338 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.747 8.549 4.225 1.00 0.00 H new ATOM 0 HD23 LEU A 124 2.511 8.519 3.987 1.00 0.00 H new ATOM 1996 N LEU A 125 3.729 9.928 2.422 1.00 0.00 N ATOM 1997 CA LEU A 125 4.565 8.886 1.874 1.00 0.00 C ATOM 1998 C LEU A 125 5.934 9.392 1.494 1.00 0.00 C ATOM 1999 O LEU A 125 6.922 8.717 1.730 1.00 0.00 O ATOM 2000 CB LEU A 125 3.927 8.132 0.721 1.00 0.00 C ATOM 2001 CG LEU A 125 2.809 7.172 1.085 1.00 0.00 C ATOM 2002 CD1 LEU A 125 1.435 7.770 0.910 1.00 0.00 C ATOM 2003 CD2 LEU A 125 2.977 5.900 0.333 1.00 0.00 C ATOM 0 H LEU A 125 2.961 10.225 1.821 1.00 0.00 H new ATOM 0 HA LEU A 125 4.682 8.167 2.685 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.536 8.860 0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.706 7.571 0.206 1.00 0.00 H new ATOM 0 HG LEU A 125 2.885 6.957 2.151 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.680 7.034 1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 125 1.336 8.648 1.548 1.00 0.00 H new ATOM 0 HD13 LEU A 125 1.294 8.060 -0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 125 2.173 5.213 0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.945 6.103 -0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.937 5.450 0.588 1.00 0.00 H new ATOM 2015 N ARG A 126 6.000 10.594 0.933 1.00 0.00 N ATOM 2016 CA ARG A 126 7.285 11.187 0.601 1.00 0.00 C ATOM 2017 C ARG A 126 8.040 11.477 1.880 1.00 0.00 C ATOM 2018 O ARG A 126 9.267 11.326 1.933 1.00 0.00 O ATOM 2019 CB ARG A 126 7.149 12.437 -0.353 1.00 0.00 C ATOM 2020 CG ARG A 126 6.402 13.629 0.218 1.00 0.00 C ATOM 2021 CD ARG A 126 7.291 14.537 1.047 1.00 0.00 C ATOM 2022 NE ARG A 126 6.528 15.253 2.078 1.00 0.00 N ATOM 2023 CZ ARG A 126 6.783 16.487 2.509 1.00 0.00 C ATOM 2024 NH1 ARG A 126 7.600 17.279 1.824 1.00 0.00 N ATOM 2025 NH2 ARG A 126 6.164 16.947 3.599 1.00 0.00 N ATOM 0 H ARG A 126 5.189 11.169 0.702 1.00 0.00 H new ATOM 0 HA ARG A 126 7.869 10.474 0.020 1.00 0.00 H new ATOM 0 HB2 ARG A 126 8.149 12.762 -0.638 1.00 0.00 H new ATOM 0 HB3 ARG A 126 6.645 12.120 -1.266 1.00 0.00 H new ATOM 0 HG2 ARG A 126 5.965 14.203 -0.599 1.00 0.00 H new ATOM 0 HG3 ARG A 126 5.577 13.273 0.835 1.00 0.00 H new ATOM 0 HD2 ARG A 126 8.075 13.945 1.520 1.00 0.00 H new ATOM 0 HD3 ARG A 126 7.785 15.257 0.394 1.00 0.00 H new ATOM 0 HE ARG A 126 5.737 14.765 2.499 1.00 0.00 H new ATOM 0 HH11 ARG A 126 8.035 16.943 0.965 1.00 0.00 H new ATOM 0 HH12 ARG A 126 7.793 18.224 2.157 1.00 0.00 H new ATOM 0 HH21 ARG A 126 5.500 16.354 4.097 1.00 0.00 H new ATOM 0 HH22 ARG A 126 6.355 17.891 3.934 1.00 0.00 H new ATOM 2039 N LYS A 127 7.286 11.838 2.932 1.00 0.00 N ATOM 2040 CA LYS A 127 7.871 12.062 4.230 1.00 0.00 C ATOM 2041 C LYS A 127 8.353 10.710 4.807 1.00 0.00 C ATOM 2042 O LYS A 127 9.429 10.640 5.383 1.00 0.00 O ATOM 2043 CB LYS A 127 6.839 12.761 5.159 1.00 0.00 C ATOM 2044 CG LYS A 127 7.394 13.448 6.425 1.00 0.00 C ATOM 2045 CD LYS A 127 7.981 12.475 7.431 1.00 0.00 C ATOM 2046 CE LYS A 127 8.499 13.189 8.658 1.00 0.00 C ATOM 2047 NZ LYS A 127 7.423 13.873 9.403 1.00 0.00 N ATOM 0 H LYS A 127 6.276 11.976 2.892 1.00 0.00 H new ATOM 0 HA LYS A 127 8.735 12.722 4.150 1.00 0.00 H new ATOM 0 HB2 LYS A 127 6.306 13.510 4.572 1.00 0.00 H new ATOM 0 HB3 LYS A 127 6.105 12.018 5.470 1.00 0.00 H new ATOM 0 HG2 LYS A 127 8.162 14.165 6.133 1.00 0.00 H new ATOM 0 HG3 LYS A 127 6.594 14.014 6.902 1.00 0.00 H new ATOM 0 HD2 LYS A 127 7.221 11.751 7.724 1.00 0.00 H new ATOM 0 HD3 LYS A 127 8.792 11.915 6.966 1.00 0.00 H new ATOM 0 HE2 LYS A 127 8.992 12.471 9.313 1.00 0.00 H new ATOM 0 HE3 LYS A 127 9.253 13.918 8.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 7.771 14.143 10.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 7.130 14.726 8.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 6.610 13.233 9.505 1.00 0.00 H new ATOM 2061 N ALA A 128 7.584 9.627 4.600 1.00 0.00 N ATOM 2062 CA ALA A 128 7.959 8.324 5.131 1.00 0.00 C ATOM 2063 C ALA A 128 9.192 7.839 4.412 1.00 0.00 C ATOM 2064 O ALA A 128 10.155 7.340 5.049 1.00 0.00 O ATOM 2065 CB ALA A 128 6.819 7.345 4.967 1.00 0.00 C ATOM 0 H ALA A 128 6.710 9.636 4.074 1.00 0.00 H new ATOM 0 HA ALA A 128 8.176 8.408 6.196 1.00 0.00 H new ATOM 0 HB1 ALA A 128 7.112 6.375 5.368 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.945 7.711 5.505 1.00 0.00 H new ATOM 0 HB3 ALA A 128 6.577 7.242 3.909 1.00 0.00 H new ATOM 2071 N GLU A 129 9.176 8.023 3.095 1.00 0.00 N ATOM 2072 CA GLU A 129 10.293 7.729 2.256 1.00 0.00 C ATOM 2073 C GLU A 129 11.500 8.480 2.773 1.00 0.00 C ATOM 2074 O GLU A 129 12.506 7.878 3.101 1.00 0.00 O ATOM 2075 CB GLU A 129 10.024 8.162 0.821 1.00 0.00 C ATOM 2076 CG GLU A 129 11.152 7.823 -0.119 1.00 0.00 C ATOM 2077 CD GLU A 129 10.995 8.444 -1.461 1.00 0.00 C ATOM 2078 OE1 GLU A 129 11.411 9.614 -1.628 1.00 0.00 O ATOM 2079 OE2 GLU A 129 10.475 7.802 -2.367 1.00 0.00 O ATOM 0 H GLU A 129 8.367 8.386 2.591 1.00 0.00 H new ATOM 0 HA GLU A 129 10.469 6.653 2.270 1.00 0.00 H new ATOM 0 HB2 GLU A 129 9.109 7.685 0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 129 9.851 9.238 0.799 1.00 0.00 H new ATOM 0 HG2 GLU A 129 12.094 8.151 0.319 1.00 0.00 H new ATOM 0 HG3 GLU A 129 11.212 6.740 -0.230 1.00 0.00 H new ATOM 2086 N ALA A 130 11.364 9.803 2.897 1.00 0.00 N ATOM 2087 CA ALA A 130 12.443 10.649 3.367 1.00 0.00 C ATOM 2088 C ALA A 130 12.896 10.293 4.764 1.00 0.00 C ATOM 2089 O ALA A 130 14.072 10.437 5.072 1.00 0.00 O ATOM 2090 CB ALA A 130 12.110 12.121 3.233 1.00 0.00 C ATOM 0 H ALA A 130 10.506 10.307 2.674 1.00 0.00 H new ATOM 0 HA ALA A 130 13.293 10.454 2.713 1.00 0.00 H new ATOM 0 HB1 ALA A 130 12.946 12.718 3.597 1.00 0.00 H new ATOM 0 HB2 ALA A 130 11.924 12.358 2.186 1.00 0.00 H new ATOM 0 HB3 ALA A 130 11.220 12.348 3.820 1.00 0.00 H new ATOM 2096 N GLN A 131 11.986 9.801 5.589 1.00 0.00 N ATOM 2097 CA GLN A 131 12.314 9.359 6.924 1.00 0.00 C ATOM 2098 C GLN A 131 13.164 8.089 6.834 1.00 0.00 C ATOM 2099 O GLN A 131 14.192 7.945 7.528 1.00 0.00 O ATOM 2100 CB GLN A 131 11.017 9.136 7.738 1.00 0.00 C ATOM 2101 CG GLN A 131 11.206 8.941 9.250 1.00 0.00 C ATOM 2102 CD GLN A 131 11.290 7.488 9.739 1.00 0.00 C ATOM 2103 OE1 GLN A 131 10.924 7.203 10.876 1.00 0.00 O ATOM 2104 NE2 GLN A 131 11.702 6.570 8.912 1.00 0.00 N ATOM 0 H GLN A 131 11.000 9.699 5.347 1.00 0.00 H new ATOM 0 HA GLN A 131 12.895 10.120 7.445 1.00 0.00 H new ATOM 0 HB2 GLN A 131 10.359 9.990 7.580 1.00 0.00 H new ATOM 0 HB3 GLN A 131 10.505 8.261 7.338 1.00 0.00 H new ATOM 0 HG2 GLN A 131 12.117 9.457 9.551 1.00 0.00 H new ATOM 0 HG3 GLN A 131 10.378 9.429 9.765 1.00 0.00 H new ATOM 0 HE21 GLN A 131 12.002 6.828 7.972 1.00 0.00 H new ATOM 0 HE22 GLN A 131 11.725 5.593 9.205 1.00 0.00 H new ATOM 2113 N ALA A 132 12.770 7.196 5.932 1.00 0.00 N ATOM 2114 CA ALA A 132 13.460 5.938 5.739 1.00 0.00 C ATOM 2115 C ALA A 132 14.828 6.238 5.164 1.00 0.00 C ATOM 2116 O ALA A 132 15.825 5.583 5.467 1.00 0.00 O ATOM 2117 CB ALA A 132 12.662 5.096 4.776 1.00 0.00 C ATOM 0 H ALA A 132 11.966 7.329 5.319 1.00 0.00 H new ATOM 0 HA ALA A 132 13.569 5.398 6.679 1.00 0.00 H new ATOM 0 HB1 ALA A 132 13.169 4.144 4.619 1.00 0.00 H new ATOM 0 HB2 ALA A 132 11.669 4.915 5.187 1.00 0.00 H new ATOM 0 HB3 ALA A 132 12.571 5.619 3.824 1.00 0.00 H new ATOM 2123 N LYS A 133 14.844 7.259 4.353 1.00 0.00 N ATOM 2124 CA LYS A 133 16.008 7.790 3.741 1.00 0.00 C ATOM 2125 C LYS A 133 16.958 8.335 4.755 1.00 0.00 C ATOM 2126 O LYS A 133 18.125 7.958 4.777 1.00 0.00 O ATOM 2127 CB LYS A 133 15.584 8.865 2.801 1.00 0.00 C ATOM 2128 CG LYS A 133 15.033 8.332 1.534 1.00 0.00 C ATOM 2129 CD LYS A 133 14.648 9.424 0.573 1.00 0.00 C ATOM 2130 CE LYS A 133 14.612 8.855 -0.824 1.00 0.00 C ATOM 2131 NZ LYS A 133 14.043 9.766 -1.840 1.00 0.00 N ATOM 0 H LYS A 133 13.995 7.762 4.094 1.00 0.00 H new ATOM 0 HA LYS A 133 16.530 6.996 3.206 1.00 0.00 H new ATOM 0 HB2 LYS A 133 14.833 9.489 3.285 1.00 0.00 H new ATOM 0 HB3 LYS A 133 16.437 9.506 2.580 1.00 0.00 H new ATOM 0 HG2 LYS A 133 15.771 7.682 1.065 1.00 0.00 H new ATOM 0 HG3 LYS A 133 14.159 7.717 1.751 1.00 0.00 H new ATOM 0 HD2 LYS A 133 13.673 9.833 0.838 1.00 0.00 H new ATOM 0 HD3 LYS A 133 15.364 10.244 0.628 1.00 0.00 H new ATOM 0 HE2 LYS A 133 15.626 8.588 -1.121 1.00 0.00 H new ATOM 0 HE3 LYS A 133 14.030 7.934 -0.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 14.086 9.313 -2.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 13.053 9.976 -1.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 14.590 10.651 -1.858 1.00 0.00 H new ATOM 2145 N LYS A 134 16.467 9.222 5.596 1.00 0.00 N ATOM 2146 CA LYS A 134 17.295 9.772 6.652 1.00 0.00 C ATOM 2147 C LYS A 134 17.770 8.720 7.628 1.00 0.00 C ATOM 2148 O LYS A 134 18.920 8.785 8.098 1.00 0.00 O ATOM 2149 CB LYS A 134 16.680 10.990 7.377 1.00 0.00 C ATOM 2150 CG LYS A 134 15.222 10.868 7.779 1.00 0.00 C ATOM 2151 CD LYS A 134 14.967 11.125 9.265 1.00 0.00 C ATOM 2152 CE LYS A 134 15.554 10.033 10.146 1.00 0.00 C ATOM 2153 NZ LYS A 134 15.301 10.277 11.580 1.00 0.00 N ATOM 0 H LYS A 134 15.510 9.575 5.571 1.00 0.00 H new ATOM 0 HA LYS A 134 18.173 10.157 6.133 1.00 0.00 H new ATOM 0 HB2 LYS A 134 17.267 11.186 8.274 1.00 0.00 H new ATOM 0 HB3 LYS A 134 16.785 11.861 6.731 1.00 0.00 H new ATOM 0 HG2 LYS A 134 14.633 11.572 7.192 1.00 0.00 H new ATOM 0 HG3 LYS A 134 14.868 9.868 7.527 1.00 0.00 H new ATOM 0 HD2 LYS A 134 15.398 12.086 9.545 1.00 0.00 H new ATOM 0 HD3 LYS A 134 13.894 11.194 9.441 1.00 0.00 H new ATOM 0 HE2 LYS A 134 15.127 9.071 9.862 1.00 0.00 H new ATOM 0 HE3 LYS A 134 16.628 9.968 9.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 15.719 9.508 12.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 15.730 11.182 11.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 14.276 10.313 11.750 1.00 0.00 H new ATOM 2167 N GLU A 135 16.938 7.709 7.912 1.00 0.00 N ATOM 2168 CA GLU A 135 17.399 6.702 8.857 1.00 0.00 C ATOM 2169 C GLU A 135 18.319 5.722 8.169 1.00 0.00 C ATOM 2170 O GLU A 135 19.165 5.087 8.798 1.00 0.00 O ATOM 2171 CB GLU A 135 16.269 6.016 9.587 1.00 0.00 C ATOM 2172 CG GLU A 135 15.372 5.155 8.762 1.00 0.00 C ATOM 2173 CD GLU A 135 14.447 4.319 9.629 1.00 0.00 C ATOM 2174 OE1 GLU A 135 14.947 3.500 10.393 1.00 0.00 O ATOM 2175 OE2 GLU A 135 13.210 4.492 9.587 1.00 0.00 O ATOM 0 H GLU A 135 16.003 7.574 7.527 1.00 0.00 H new ATOM 0 HA GLU A 135 17.968 7.216 9.632 1.00 0.00 H new ATOM 0 HB2 GLU A 135 16.697 5.402 10.380 1.00 0.00 H new ATOM 0 HB3 GLU A 135 15.660 6.781 10.069 1.00 0.00 H new ATOM 0 HG2 GLU A 135 14.779 5.781 8.095 1.00 0.00 H new ATOM 0 HG3 GLU A 135 15.974 4.499 8.133 1.00 0.00 H new ATOM 2182 N LYS A 136 18.126 5.639 6.880 1.00 0.00 N ATOM 2183 CA LYS A 136 18.938 4.864 5.947 1.00 0.00 C ATOM 2184 C LYS A 136 18.574 3.421 6.010 1.00 0.00 C ATOM 2185 O LYS A 136 19.313 2.570 6.522 1.00 0.00 O ATOM 2186 CB LYS A 136 20.449 5.118 6.090 1.00 0.00 C ATOM 2187 CG LYS A 136 20.867 6.531 5.700 1.00 0.00 C ATOM 2188 CD LYS A 136 22.315 6.835 6.062 1.00 0.00 C ATOM 2189 CE LYS A 136 22.509 6.917 7.572 1.00 0.00 C ATOM 2190 NZ LYS A 136 21.726 8.029 8.180 1.00 0.00 N ATOM 0 H LYS A 136 17.362 6.131 6.417 1.00 0.00 H new ATOM 0 HA LYS A 136 18.703 5.218 4.943 1.00 0.00 H new ATOM 0 HB2 LYS A 136 20.745 4.932 7.123 1.00 0.00 H new ATOM 0 HB3 LYS A 136 20.990 4.403 5.470 1.00 0.00 H new ATOM 0 HG2 LYS A 136 20.729 6.663 4.627 1.00 0.00 H new ATOM 0 HG3 LYS A 136 20.214 7.249 6.196 1.00 0.00 H new ATOM 0 HD2 LYS A 136 22.964 6.061 5.652 1.00 0.00 H new ATOM 0 HD3 LYS A 136 22.615 7.777 5.604 1.00 0.00 H new ATOM 0 HE2 LYS A 136 22.210 5.973 8.027 1.00 0.00 H new ATOM 0 HE3 LYS A 136 23.567 7.056 7.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 21.978 8.122 9.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 21.942 8.917 7.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 20.710 7.824 8.096 1.00 0.00 H new ATOM 2204 N LEU A 137 17.379 3.171 5.568 1.00 0.00 N ATOM 2205 CA LEU A 137 16.804 1.874 5.557 1.00 0.00 C ATOM 2206 C LEU A 137 17.232 1.030 4.386 1.00 0.00 C ATOM 2207 O LEU A 137 18.065 1.414 3.641 1.00 0.00 O ATOM 2208 CB LEU A 137 15.327 2.034 5.553 1.00 0.00 C ATOM 2209 CG LEU A 137 14.674 2.170 6.905 1.00 0.00 C ATOM 2210 CD1 LEU A 137 13.262 2.454 6.760 1.00 0.00 C ATOM 2211 CD2 LEU A 137 14.805 0.946 7.734 1.00 0.00 C ATOM 0 H LEU A 137 16.763 3.893 5.194 1.00 0.00 H new ATOM 0 HA LEU A 137 17.153 1.345 6.444 1.00 0.00 H new ATOM 0 HB2 LEU A 137 15.078 2.915 4.961 1.00 0.00 H new ATOM 0 HB3 LEU A 137 14.890 1.175 5.045 1.00 0.00 H new ATOM 0 HG LEU A 137 15.191 2.989 7.405 1.00 0.00 H new ATOM 0 HD11 LEU A 137 12.807 2.549 7.746 1.00 0.00 H new ATOM 0 HD12 LEU A 137 13.133 3.386 6.209 1.00 0.00 H new ATOM 0 HD13 LEU A 137 12.781 1.641 6.215 1.00 0.00 H new ATOM 0 HD21 LEU A 137 14.316 1.104 8.695 1.00 0.00 H new ATOM 0 HD22 LEU A 137 14.335 0.107 7.221 1.00 0.00 H new ATOM 0 HD23 LEU A 137 15.861 0.727 7.895 1.00 0.00 H new ATOM 2223 N ASN A 138 16.603 -0.123 4.278 1.00 0.00 N ATOM 2224 CA ASN A 138 16.772 -1.156 3.234 1.00 0.00 C ATOM 2225 C ASN A 138 17.186 -0.611 1.867 1.00 0.00 C ATOM 2226 O ASN A 138 18.360 -0.642 1.513 1.00 0.00 O ATOM 2227 CB ASN A 138 15.453 -1.922 3.116 1.00 0.00 C ATOM 2228 CG ASN A 138 15.136 -2.698 4.363 1.00 0.00 C ATOM 2229 OD1 ASN A 138 16.014 -3.251 4.991 1.00 0.00 O ATOM 2230 ND2 ASN A 138 13.908 -2.656 4.782 1.00 0.00 N ATOM 0 H ASN A 138 15.901 -0.399 4.965 1.00 0.00 H new ATOM 0 HA ASN A 138 17.594 -1.802 3.543 1.00 0.00 H new ATOM 0 HB2 ASN A 138 14.644 -1.221 2.911 1.00 0.00 H new ATOM 0 HB3 ASN A 138 15.506 -2.605 2.268 1.00 0.00 H new ATOM 0 HD21 ASN A 138 13.655 -3.097 5.666 1.00 0.00 H new ATOM 0 HD22 ASN A 138 13.196 -2.182 4.227 1.00 0.00 H new ATOM 2237 N ILE A 139 16.241 -0.063 1.126 1.00 0.00 N ATOM 2238 CA ILE A 139 16.540 0.465 -0.211 1.00 0.00 C ATOM 2239 C ILE A 139 17.316 1.783 -0.152 1.00 0.00 C ATOM 2240 O ILE A 139 17.870 2.260 -1.151 1.00 0.00 O ATOM 2241 CB ILE A 139 15.270 0.632 -1.063 1.00 0.00 C ATOM 2242 CG1 ILE A 139 14.207 1.451 -0.342 1.00 0.00 C ATOM 2243 CG2 ILE A 139 14.706 -0.727 -1.477 1.00 0.00 C ATOM 2244 CD1 ILE A 139 12.957 1.670 -1.169 1.00 0.00 C ATOM 0 H ILE A 139 15.267 0.032 1.414 1.00 0.00 H new ATOM 0 HA ILE A 139 17.176 -0.278 -0.692 1.00 0.00 H new ATOM 0 HB ILE A 139 15.557 1.179 -1.961 1.00 0.00 H new ATOM 0 HG12 ILE A 139 13.937 0.947 0.586 1.00 0.00 H new ATOM 0 HG13 ILE A 139 14.627 2.419 -0.068 1.00 0.00 H new ATOM 0 HG21 ILE A 139 13.809 -0.581 -2.078 1.00 0.00 H new ATOM 0 HG22 ILE A 139 15.451 -1.267 -2.062 1.00 0.00 H new ATOM 0 HG23 ILE A 139 14.456 -1.304 -0.587 1.00 0.00 H new ATOM 0 HD11 ILE A 139 12.241 2.260 -0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 139 13.215 2.201 -2.085 1.00 0.00 H new ATOM 0 HD13 ILE A 139 12.514 0.706 -1.421 1.00 0.00 H new ATOM 2256 N TRP A 140 17.373 2.334 1.026 1.00 0.00 N ATOM 2257 CA TRP A 140 17.994 3.605 1.296 1.00 0.00 C ATOM 2258 C TRP A 140 19.389 3.440 1.855 1.00 0.00 C ATOM 2259 O TRP A 140 20.011 4.392 2.317 1.00 0.00 O ATOM 2260 CB TRP A 140 17.092 4.329 2.256 1.00 0.00 C ATOM 2261 CG TRP A 140 15.749 4.525 1.688 1.00 0.00 C ATOM 2262 CD1 TRP A 140 14.618 4.291 2.321 1.00 0.00 C ATOM 2263 CD2 TRP A 140 15.388 4.924 0.338 1.00 0.00 C ATOM 2264 NE1 TRP A 140 13.558 4.467 1.481 1.00 0.00 N ATOM 2265 CE2 TRP A 140 14.000 4.874 0.270 1.00 0.00 C ATOM 2266 CE3 TRP A 140 16.096 5.310 -0.811 1.00 0.00 C ATOM 2267 CZ2 TRP A 140 13.292 5.186 -0.882 1.00 0.00 C ATOM 2268 CZ3 TRP A 140 15.390 5.622 -1.949 1.00 0.00 C ATOM 2269 CH2 TRP A 140 14.005 5.558 -1.977 1.00 0.00 C ATOM 0 H TRP A 140 16.975 1.897 1.857 1.00 0.00 H new ATOM 0 HA TRP A 140 18.116 4.177 0.376 1.00 0.00 H new ATOM 0 HB2 TRP A 140 17.017 3.763 3.184 1.00 0.00 H new ATOM 0 HB3 TRP A 140 17.527 5.296 2.507 1.00 0.00 H new ATOM 0 HD1 TRP A 140 14.541 4.001 3.358 1.00 0.00 H new ATOM 0 HE1 TRP A 140 12.580 4.315 1.729 1.00 0.00 H new ATOM 0 HE3 TRP A 140 17.175 5.361 -0.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 12.214 5.135 -0.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 15.924 5.923 -2.838 1.00 0.00 H new ATOM 0 HH2 TRP A 140 13.482 5.809 -2.888 1.00 0.00 H new