USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 632 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 46 MET CE :methyl -125:sc= -0.613 (180deg=-4.83!) USER MOD Set 1.2: A 79 HIS : no HD1:sc= -0.0416 X(o=-0.66,f=-1.2) USER MOD Set 2.1: A 61 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 64 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 8 THR OG1 : rot 140:sc= 0 USER MOD Set 3.2: A 11 MET CE :methyl -123:sc= -2.32! (180deg=-5.79!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -5.83! C(o=-6.8!,f=-5.8!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.0459 X(o=-0.046,f=0) USER MOD Single : A 23 MET CE :methyl -131:sc= -3.65! (180deg=-7.85!) USER MOD Single : A 33 GLN : amide:sc= -0.0232 K(o=-0.023,f=-0.76) USER MOD Single : A 35 MET CE :methyl -172:sc= -5.31! (180deg=-5.73!) USER MOD Single : A 36 HIS : no HD1:sc= -1.54 X(o=-1.5,f=-1.8!) USER MOD Single : A 38 THR OG1 : rot -140:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -160:sc= -3.33! (180deg=-4.97!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.584 USER MOD Single : A 52 ASN :FLIP amide:sc= -0.256 F(o=-1.1,f=-0.26) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl 179:sc=-0.00172 (180deg=-0.00213) USER MOD Single : A 67 SER OG : rot 96:sc= 0.649 USER MOD Single : A 68 LYS NZ :NH3+ -162:sc= 0.382 (180deg=-0.0211) USER MOD Single : A 77 GLN : amide:sc= -0.264 K(o=-0.26,f=-1.1) USER MOD Single : B 5 ASN : amide:sc= -0.866 X(o=-0.87,f=-0.87) USER MOD Single : B 7 ASN :FLIP amide:sc= -1.52 F(o=-4.1!,f=-1.5) USER MOD Single : B 9 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 11 LYS NZ :NH3+ -136:sc= 0.398 (180deg=-0.523) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 94 N THR A 8 -8.356 -6.254 -5.981 1.00 0.00 N ATOM 95 CA THR A 8 -8.920 -5.327 -5.008 1.00 0.00 C ATOM 96 C THR A 8 -10.045 -4.512 -5.630 1.00 0.00 C ATOM 97 O THR A 8 -10.983 -4.115 -4.941 1.00 0.00 O ATOM 98 CB THR A 8 -7.836 -4.399 -4.459 1.00 0.00 C ATOM 99 OG1 THR A 8 -8.386 -3.486 -3.524 1.00 0.00 O ATOM 100 CG2 THR A 8 -7.136 -3.592 -5.528 1.00 0.00 C ATOM 0 HA THR A 8 -9.330 -5.909 -4.183 1.00 0.00 H new ATOM 0 HB THR A 8 -7.105 -5.057 -3.990 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.767 -3.374 -2.773 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.380 -2.956 -5.067 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.659 -4.266 -6.239 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.864 -2.971 -6.050 1.00 0.00 H new ATOM 108 N ALA A 9 -9.957 -4.274 -6.936 1.00 0.00 N ATOM 109 CA ALA A 9 -11.017 -3.565 -7.641 1.00 0.00 C ATOM 110 C ALA A 9 -12.319 -4.337 -7.496 1.00 0.00 C ATOM 111 O ALA A 9 -13.388 -3.757 -7.301 1.00 0.00 O ATOM 112 CB ALA A 9 -10.662 -3.373 -9.105 1.00 0.00 C ATOM 0 H ALA A 9 -9.171 -4.559 -7.521 1.00 0.00 H new ATOM 0 HA ALA A 9 -11.137 -2.575 -7.202 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.469 -2.841 -9.609 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.742 -2.794 -9.183 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.519 -4.346 -9.575 1.00 0.00 H new ATOM 118 N SER A 10 -12.207 -5.663 -7.547 1.00 0.00 N ATOM 119 CA SER A 10 -13.355 -6.533 -7.350 1.00 0.00 C ATOM 120 C SER A 10 -13.827 -6.426 -5.907 1.00 0.00 C ATOM 121 O SER A 10 -15.025 -6.451 -5.631 1.00 0.00 O ATOM 122 CB SER A 10 -12.995 -7.982 -7.684 1.00 0.00 C ATOM 123 OG SER A 10 -14.155 -8.741 -7.975 1.00 0.00 O ATOM 0 H SER A 10 -11.331 -6.154 -7.723 1.00 0.00 H new ATOM 0 HA SER A 10 -14.158 -6.220 -8.018 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.318 -8.004 -8.538 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.464 -8.431 -6.845 1.00 0.00 H new ATOM 0 HG SER A 10 -13.898 -9.663 -8.187 1.00 0.00 H new ATOM 129 N MET A 11 -12.870 -6.254 -4.997 1.00 0.00 N ATOM 130 CA MET A 11 -13.187 -6.082 -3.585 1.00 0.00 C ATOM 131 C MET A 11 -13.969 -4.793 -3.382 1.00 0.00 C ATOM 132 O MET A 11 -14.852 -4.717 -2.531 1.00 0.00 O ATOM 133 CB MET A 11 -11.909 -6.044 -2.745 1.00 0.00 C ATOM 134 CG MET A 11 -11.013 -7.253 -2.942 1.00 0.00 C ATOM 135 SD MET A 11 -10.250 -7.811 -1.407 1.00 0.00 S ATOM 136 CE MET A 11 -9.321 -6.352 -0.938 1.00 0.00 C ATOM 0 H MET A 11 -11.873 -6.230 -5.213 1.00 0.00 H new ATOM 0 HA MET A 11 -13.792 -6.929 -3.263 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.348 -5.143 -2.993 1.00 0.00 H new ATOM 0 HB3 MET A 11 -12.179 -5.971 -1.692 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.598 -8.068 -3.369 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.233 -7.008 -3.663 1.00 0.00 H new ATOM 0 HE1 MET A 11 -8.268 -6.611 -0.829 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.429 -5.588 -1.708 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.700 -5.968 0.009 1.00 0.00 H new ATOM 146 N LEU A 12 -13.639 -3.784 -4.185 1.00 0.00 N ATOM 147 CA LEU A 12 -14.315 -2.496 -4.121 1.00 0.00 C ATOM 148 C LEU A 12 -15.816 -2.678 -4.277 1.00 0.00 C ATOM 149 O LEU A 12 -16.602 -2.077 -3.549 1.00 0.00 O ATOM 150 CB LEU A 12 -13.788 -1.566 -5.217 1.00 0.00 C ATOM 151 CG LEU A 12 -12.878 -0.432 -4.735 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.840 -0.954 -3.751 1.00 0.00 C ATOM 153 CD2 LEU A 12 -12.202 0.244 -5.919 1.00 0.00 C ATOM 0 H LEU A 12 -12.904 -3.837 -4.890 1.00 0.00 H new ATOM 0 HA LEU A 12 -14.113 -2.048 -3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -13.240 -2.164 -5.945 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -14.639 -1.129 -5.739 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.492 0.306 -4.219 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.205 -0.132 -3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.344 -1.391 -2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.228 -1.714 -4.237 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.559 1.048 -5.561 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.602 -0.487 -6.461 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.961 0.656 -6.585 1.00 0.00 H new ATOM 165 N ALA A 13 -16.205 -3.501 -5.241 1.00 0.00 N ATOM 166 CA ALA A 13 -17.612 -3.787 -5.478 1.00 0.00 C ATOM 167 C ALA A 13 -18.216 -4.548 -4.306 1.00 0.00 C ATOM 168 O ALA A 13 -19.371 -4.329 -3.940 1.00 0.00 O ATOM 169 CB ALA A 13 -17.781 -4.573 -6.770 1.00 0.00 C ATOM 0 H ALA A 13 -15.565 -3.983 -5.872 1.00 0.00 H new ATOM 0 HA ALA A 13 -18.142 -2.840 -5.575 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.838 -4.780 -6.934 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -17.391 -3.990 -7.604 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.234 -5.513 -6.698 1.00 0.00 H new ATOM 175 N SER A 14 -17.428 -5.446 -3.724 1.00 0.00 N ATOM 176 CA SER A 14 -17.886 -6.239 -2.592 1.00 0.00 C ATOM 177 C SER A 14 -17.341 -5.684 -1.280 1.00 0.00 C ATOM 178 O SER A 14 -16.909 -6.441 -0.409 1.00 0.00 O ATOM 179 CB SER A 14 -17.458 -7.699 -2.762 1.00 0.00 C ATOM 180 OG SER A 14 -18.584 -8.557 -2.834 1.00 0.00 O ATOM 0 H SER A 14 -16.471 -5.642 -4.018 1.00 0.00 H new ATOM 0 HA SER A 14 -18.974 -6.187 -2.560 1.00 0.00 H new ATOM 0 HB2 SER A 14 -16.860 -7.803 -3.667 1.00 0.00 H new ATOM 0 HB3 SER A 14 -16.825 -7.995 -1.926 1.00 0.00 H new ATOM 0 HG SER A 14 -18.283 -9.483 -2.944 1.00 0.00 H new ATOM 186 N ALA A 15 -17.446 -4.368 -1.104 1.00 0.00 N ATOM 187 CA ALA A 15 -16.914 -3.728 0.095 1.00 0.00 C ATOM 188 C ALA A 15 -17.898 -2.749 0.755 1.00 0.00 C ATOM 189 O ALA A 15 -18.037 -2.766 1.976 1.00 0.00 O ATOM 190 CB ALA A 15 -15.618 -3.013 -0.232 1.00 0.00 C ATOM 0 H ALA A 15 -17.889 -3.732 -1.767 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.736 -4.525 0.817 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.227 -2.538 0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -14.890 -3.732 -0.608 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.803 -2.254 -0.992 1.00 0.00 H new ATOM 241 N GLU A 19 -16.153 0.352 3.728 1.00 0.00 N ATOM 242 CA GLU A 19 -15.138 -0.696 3.801 1.00 0.00 C ATOM 243 C GLU A 19 -13.815 -0.210 3.224 1.00 0.00 C ATOM 244 O GLU A 19 -12.928 -1.009 2.932 1.00 0.00 O ATOM 245 CB GLU A 19 -15.597 -1.941 3.052 1.00 0.00 C ATOM 246 CG GLU A 19 -15.404 -3.230 3.833 1.00 0.00 C ATOM 247 CD GLU A 19 -16.421 -3.394 4.946 1.00 0.00 C ATOM 248 OE1 GLU A 19 -17.628 -3.477 4.639 1.00 0.00 O ATOM 249 OE2 GLU A 19 -16.009 -3.438 6.124 1.00 0.00 O ATOM 0 HA GLU A 19 -14.993 -0.947 4.852 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.652 -1.834 2.800 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.050 -2.011 2.112 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -15.476 -4.078 3.152 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.400 -3.247 4.257 1.00 0.00 H new ATOM 256 N GLN A 20 -13.703 1.102 3.036 1.00 0.00 N ATOM 257 CA GLN A 20 -12.498 1.696 2.456 1.00 0.00 C ATOM 258 C GLN A 20 -11.236 1.140 3.108 1.00 0.00 C ATOM 259 O GLN A 20 -10.366 0.594 2.432 1.00 0.00 O ATOM 260 CB GLN A 20 -12.516 3.228 2.587 1.00 0.00 C ATOM 261 CG GLN A 20 -13.562 3.774 3.549 1.00 0.00 C ATOM 262 CD GLN A 20 -13.329 3.339 4.983 1.00 0.00 C ATOM 263 OE1 GLN A 20 -12.250 3.827 5.583 1.00 0.00 O flip ATOM 264 NE2 GLN A 20 -14.112 2.574 5.546 1.00 0.00 N flip ATOM 0 H GLN A 20 -14.431 1.775 3.276 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.489 1.433 1.398 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.532 3.562 2.915 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -12.688 3.661 1.602 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -13.560 4.863 3.500 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -14.550 3.442 3.230 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.929 2.223 5.047 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -13.944 2.291 6.511 1.00 0.00 H new ATOM 273 N LYS A 21 -11.157 1.255 4.427 1.00 0.00 N ATOM 274 CA LYS A 21 -9.988 0.791 5.169 1.00 0.00 C ATOM 275 C LYS A 21 -9.698 -0.685 4.907 1.00 0.00 C ATOM 276 O LYS A 21 -8.570 -1.140 5.084 1.00 0.00 O ATOM 277 CB LYS A 21 -10.181 1.014 6.676 1.00 0.00 C ATOM 278 CG LYS A 21 -11.636 1.144 7.114 1.00 0.00 C ATOM 279 CD LYS A 21 -12.465 -0.069 6.714 1.00 0.00 C ATOM 280 CE LYS A 21 -12.254 -1.233 7.666 1.00 0.00 C ATOM 281 NZ LYS A 21 -13.540 -1.724 8.235 1.00 0.00 N ATOM 0 H LYS A 21 -11.888 1.666 5.007 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.136 1.374 4.820 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.725 0.183 7.215 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.644 1.917 6.969 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.679 1.271 8.196 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.069 2.041 6.671 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.521 0.201 6.698 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.199 -0.374 5.702 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.755 -2.047 7.140 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.593 -0.925 8.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.354 -2.519 8.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.004 -0.955 8.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.162 -2.042 7.464 1.00 0.00 H new ATOM 295 N GLN A 22 -10.720 -1.433 4.512 1.00 0.00 N ATOM 296 CA GLN A 22 -10.563 -2.860 4.247 1.00 0.00 C ATOM 297 C GLN A 22 -9.790 -3.117 2.954 1.00 0.00 C ATOM 298 O GLN A 22 -8.614 -3.479 2.982 1.00 0.00 O ATOM 299 CB GLN A 22 -11.931 -3.544 4.180 1.00 0.00 C ATOM 300 CG GLN A 22 -11.875 -4.973 3.659 1.00 0.00 C ATOM 301 CD GLN A 22 -11.930 -6.001 4.771 1.00 0.00 C ATOM 302 OE1 GLN A 22 -10.984 -6.761 4.978 1.00 0.00 O ATOM 303 NE2 GLN A 22 -13.042 -6.029 5.496 1.00 0.00 N ATOM 0 H GLN A 22 -11.665 -1.078 4.368 1.00 0.00 H new ATOM 0 HA GLN A 22 -9.987 -3.282 5.071 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -12.375 -3.547 5.175 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -12.589 -2.958 3.539 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -12.707 -5.139 2.974 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.958 -5.111 3.086 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -13.802 -5.380 5.290 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.136 -6.699 6.259 1.00 0.00 H new ATOM 312 N MET A 23 -10.480 -2.976 1.826 1.00 0.00 N ATOM 313 CA MET A 23 -9.890 -3.266 0.520 1.00 0.00 C ATOM 314 C MET A 23 -8.814 -2.257 0.119 1.00 0.00 C ATOM 315 O MET A 23 -7.644 -2.405 0.471 1.00 0.00 O ATOM 316 CB MET A 23 -10.978 -3.331 -0.565 1.00 0.00 C ATOM 317 CG MET A 23 -12.316 -2.743 -0.144 1.00 0.00 C ATOM 318 SD MET A 23 -12.241 -0.961 0.115 1.00 0.00 S ATOM 319 CE MET A 23 -13.623 -0.409 -0.881 1.00 0.00 C ATOM 0 H MET A 23 -11.450 -2.662 1.789 1.00 0.00 H new ATOM 0 HA MET A 23 -9.405 -4.238 0.609 1.00 0.00 H new ATOM 0 HB2 MET A 23 -10.624 -2.802 -1.450 1.00 0.00 H new ATOM 0 HB3 MET A 23 -11.126 -4.372 -0.853 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.062 -2.964 -0.907 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.648 -3.226 0.775 1.00 0.00 H new ATOM 0 HE1 MET A 23 -13.303 0.411 -1.524 1.00 0.00 H new ATOM 0 HE2 MET A 23 -13.981 -1.235 -1.496 1.00 0.00 H new ATOM 0 HE3 MET A 23 -14.427 -0.067 -0.230 1.00 0.00 H new ATOM 329 N LEU A 24 -9.216 -1.260 -0.664 1.00 0.00 N ATOM 330 CA LEU A 24 -8.292 -0.271 -1.215 1.00 0.00 C ATOM 331 C LEU A 24 -7.546 0.528 -0.153 1.00 0.00 C ATOM 332 O LEU A 24 -6.770 1.422 -0.491 1.00 0.00 O ATOM 333 CB LEU A 24 -9.053 0.707 -2.125 1.00 0.00 C ATOM 334 CG LEU A 24 -10.416 1.202 -1.611 1.00 0.00 C ATOM 335 CD1 LEU A 24 -10.293 1.845 -0.238 1.00 0.00 C ATOM 336 CD2 LEU A 24 -11.025 2.186 -2.598 1.00 0.00 C ATOM 0 H LEU A 24 -10.189 -1.114 -0.934 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.548 -0.835 -1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.418 1.576 -2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.207 0.226 -3.091 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.072 0.336 -1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.274 2.183 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.901 1.116 0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.616 2.697 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.989 2.529 -2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.358 3.040 -2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.164 1.696 -3.561 1.00 0.00 H new ATOM 348 N GLY A 25 -7.804 0.259 1.120 1.00 0.00 N ATOM 349 CA GLY A 25 -7.207 1.085 2.146 1.00 0.00 C ATOM 350 C GLY A 25 -7.766 2.478 2.021 1.00 0.00 C ATOM 351 O GLY A 25 -8.972 2.681 2.138 1.00 0.00 O ATOM 0 H GLY A 25 -8.401 -0.498 1.454 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.422 0.677 3.134 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.123 1.100 2.037 1.00 0.00 H new ATOM 355 N GLU A 26 -6.912 3.428 1.704 1.00 0.00 N ATOM 356 CA GLU A 26 -7.391 4.741 1.323 1.00 0.00 C ATOM 357 C GLU A 26 -7.931 4.630 -0.101 1.00 0.00 C ATOM 358 O GLU A 26 -9.138 4.662 -0.342 1.00 0.00 O ATOM 359 CB GLU A 26 -6.271 5.780 1.403 1.00 0.00 C ATOM 360 CG GLU A 26 -6.476 6.812 2.501 1.00 0.00 C ATOM 361 CD GLU A 26 -6.448 6.203 3.889 1.00 0.00 C ATOM 362 OE1 GLU A 26 -5.351 5.821 4.346 1.00 0.00 O ATOM 363 OE2 GLU A 26 -7.522 6.110 4.518 1.00 0.00 O ATOM 0 H GLU A 26 -5.898 3.320 1.702 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.174 5.072 2.005 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.323 5.268 1.569 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.193 6.292 0.444 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.700 7.574 2.427 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.431 7.314 2.348 1.00 0.00 H new ATOM 370 N ARG A 27 -6.995 4.447 -1.024 1.00 0.00 N ATOM 371 CA ARG A 27 -7.278 4.198 -2.435 1.00 0.00 C ATOM 372 C ARG A 27 -6.035 3.569 -3.052 1.00 0.00 C ATOM 373 O ARG A 27 -5.899 3.460 -4.271 1.00 0.00 O ATOM 374 CB ARG A 27 -7.623 5.503 -3.158 1.00 0.00 C ATOM 375 CG ARG A 27 -8.175 5.308 -4.564 1.00 0.00 C ATOM 376 CD ARG A 27 -9.408 4.418 -4.569 1.00 0.00 C ATOM 377 NE ARG A 27 -10.305 4.726 -5.679 1.00 0.00 N ATOM 378 CZ ARG A 27 -10.114 4.299 -6.923 1.00 0.00 C ATOM 379 NH1 ARG A 27 -9.061 3.549 -7.218 1.00 0.00 N ATOM 380 NH2 ARG A 27 -10.977 4.623 -7.876 1.00 0.00 N ATOM 0 H ARG A 27 -5.998 4.468 -0.810 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.135 3.532 -2.532 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.355 6.052 -2.565 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.728 6.123 -3.213 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.425 6.278 -4.994 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.406 4.867 -5.198 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.100 3.374 -4.631 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.944 4.537 -3.627 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.125 5.302 -5.489 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.394 3.298 -6.489 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.918 3.224 -8.174 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.788 5.200 -7.655 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.830 4.295 -8.830 1.00 0.00 H new ATOM 394 N LEU A 28 -5.115 3.199 -2.168 1.00 0.00 N ATOM 395 CA LEU A 28 -3.796 2.715 -2.546 1.00 0.00 C ATOM 396 C LEU A 28 -3.827 1.476 -3.433 1.00 0.00 C ATOM 397 O LEU A 28 -3.482 1.550 -4.613 1.00 0.00 O ATOM 398 CB LEU A 28 -2.996 2.432 -1.276 1.00 0.00 C ATOM 399 CG LEU A 28 -2.104 3.587 -0.814 1.00 0.00 C ATOM 400 CD1 LEU A 28 -2.430 3.970 0.621 1.00 0.00 C ATOM 401 CD2 LEU A 28 -0.635 3.221 -0.950 1.00 0.00 C ATOM 0 H LEU A 28 -5.267 3.228 -1.160 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.324 3.495 -3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.690 2.183 -0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.373 1.553 -1.443 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.300 4.448 -1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.787 4.793 0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.473 4.280 0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.265 3.112 1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.019 4.056 -0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.420 2.345 -0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.410 2.999 -1.993 1.00 0.00 H new ATOM 413 N PHE A 29 -4.172 0.335 -2.847 1.00 0.00 N ATOM 414 CA PHE A 29 -4.162 -0.943 -3.562 1.00 0.00 C ATOM 415 C PHE A 29 -4.588 -0.811 -5.034 1.00 0.00 C ATOM 416 O PHE A 29 -3.888 -1.303 -5.912 1.00 0.00 O ATOM 417 CB PHE A 29 -5.039 -1.968 -2.839 1.00 0.00 C ATOM 418 CG PHE A 29 -4.346 -3.282 -2.588 1.00 0.00 C ATOM 419 CD1 PHE A 29 -3.694 -3.952 -3.614 1.00 0.00 C ATOM 420 CD2 PHE A 29 -4.350 -3.850 -1.323 1.00 0.00 C ATOM 421 CE1 PHE A 29 -3.060 -5.157 -3.381 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.715 -5.054 -1.086 1.00 0.00 C ATOM 423 CZ PHE A 29 -3.078 -5.712 -2.119 1.00 0.00 C ATOM 0 H PHE A 29 -4.464 0.266 -1.872 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.129 -1.291 -3.566 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.363 -1.549 -1.886 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.937 -2.147 -3.430 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.682 -3.526 -4.606 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.856 -3.345 -0.513 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.550 -5.664 -4.187 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.717 -5.480 -0.094 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.594 -6.661 -1.939 1.00 0.00 H new ATOM 433 N PRO A 30 -5.718 -0.136 -5.339 1.00 0.00 N ATOM 434 CA PRO A 30 -6.204 0.008 -6.724 1.00 0.00 C ATOM 435 C PRO A 30 -5.202 0.691 -7.658 1.00 0.00 C ATOM 436 O PRO A 30 -4.997 0.247 -8.792 1.00 0.00 O ATOM 437 CB PRO A 30 -7.458 0.873 -6.582 1.00 0.00 C ATOM 438 CG PRO A 30 -7.904 0.662 -5.180 1.00 0.00 C ATOM 439 CD PRO A 30 -6.649 0.477 -4.375 1.00 0.00 C ATOM 0 HA PRO A 30 -6.380 -0.969 -7.175 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.239 1.923 -6.774 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.229 0.573 -7.292 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.478 1.516 -4.819 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.551 -0.212 -5.103 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.270 1.426 -3.997 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -6.816 -0.167 -3.511 1.00 0.00 H new ATOM 447 N LEU A 31 -4.554 1.751 -7.178 1.00 0.00 N ATOM 448 CA LEU A 31 -3.601 2.484 -8.013 1.00 0.00 C ATOM 449 C LEU A 31 -2.361 1.640 -8.249 1.00 0.00 C ATOM 450 O LEU A 31 -1.907 1.479 -9.385 1.00 0.00 O ATOM 451 CB LEU A 31 -3.195 3.812 -7.361 1.00 0.00 C ATOM 452 CG LEU A 31 -4.131 4.318 -6.269 1.00 0.00 C ATOM 453 CD1 LEU A 31 -3.334 4.883 -5.103 1.00 0.00 C ATOM 454 CD2 LEU A 31 -5.079 5.365 -6.825 1.00 0.00 C ATOM 0 H LEU A 31 -4.667 2.117 -6.233 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.088 2.700 -8.964 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.197 3.699 -6.937 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.127 4.573 -8.138 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.722 3.478 -5.905 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.018 5.239 -4.333 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.695 4.104 -4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.717 5.711 -5.451 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.740 5.715 -6.032 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.505 6.205 -7.216 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.674 4.928 -7.627 1.00 0.00 H new ATOM 466 N ILE A 32 -1.838 1.072 -7.179 1.00 0.00 N ATOM 467 CA ILE A 32 -0.677 0.214 -7.285 1.00 0.00 C ATOM 468 C ILE A 32 -1.072 -1.134 -7.864 1.00 0.00 C ATOM 469 O ILE A 32 -0.219 -1.928 -8.240 1.00 0.00 O ATOM 470 CB ILE A 32 0.011 0.002 -5.929 1.00 0.00 C ATOM 471 CG1 ILE A 32 -0.413 1.092 -4.938 1.00 0.00 C ATOM 472 CG2 ILE A 32 1.519 0.001 -6.115 1.00 0.00 C ATOM 473 CD1 ILE A 32 0.150 0.911 -3.548 1.00 0.00 C ATOM 0 H ILE A 32 -2.198 1.189 -6.232 1.00 0.00 H new ATOM 0 HA ILE A 32 0.030 0.712 -7.948 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.293 -0.962 -5.521 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.098 2.062 -5.323 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.501 1.111 -4.879 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.004 -0.150 -5.151 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.801 -0.804 -6.793 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.834 0.956 -6.535 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.196 1.722 -2.907 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.186 -0.042 -3.141 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.239 0.923 -3.592 1.00 0.00 H new ATOM 485 N GLN A 33 -2.376 -1.389 -7.932 1.00 0.00 N ATOM 486 CA GLN A 33 -2.864 -2.625 -8.526 1.00 0.00 C ATOM 487 C GLN A 33 -2.450 -2.656 -9.986 1.00 0.00 C ATOM 488 O GLN A 33 -2.005 -3.683 -10.500 1.00 0.00 O ATOM 489 CB GLN A 33 -4.381 -2.739 -8.388 1.00 0.00 C ATOM 490 CG GLN A 33 -4.984 -3.892 -9.176 1.00 0.00 C ATOM 491 CD GLN A 33 -4.430 -5.239 -8.754 1.00 0.00 C ATOM 492 OE1 GLN A 33 -4.632 -5.681 -7.623 1.00 0.00 O ATOM 493 NE2 GLN A 33 -3.724 -5.899 -9.665 1.00 0.00 N ATOM 0 H GLN A 33 -3.104 -0.763 -7.587 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.429 -3.477 -8.003 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.633 -2.860 -7.334 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.838 -1.806 -8.719 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.066 -3.891 -9.044 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.792 -3.741 -10.238 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.581 -5.495 -10.591 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.325 -6.810 -9.439 1.00 0.00 H new ATOM 502 N ALA A 34 -2.527 -1.496 -10.627 1.00 0.00 N ATOM 503 CA ALA A 34 -2.052 -1.357 -11.994 1.00 0.00 C ATOM 504 C ALA A 34 -0.529 -1.459 -12.004 1.00 0.00 C ATOM 505 O ALA A 34 0.071 -1.955 -12.956 1.00 0.00 O ATOM 506 CB ALA A 34 -2.511 -0.036 -12.593 1.00 0.00 C ATOM 0 H ALA A 34 -2.912 -0.643 -10.223 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.470 -2.156 -12.606 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.144 0.047 -13.616 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.600 0.004 -12.594 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.118 0.789 -11.999 1.00 0.00 H new ATOM 512 N MET A 35 0.076 -1.025 -10.898 1.00 0.00 N ATOM 513 CA MET A 35 1.527 -1.088 -10.724 1.00 0.00 C ATOM 514 C MET A 35 1.905 -2.282 -9.854 1.00 0.00 C ATOM 515 O MET A 35 2.916 -2.262 -9.151 1.00 0.00 O ATOM 516 CB MET A 35 2.031 0.202 -10.076 1.00 0.00 C ATOM 517 CG MET A 35 1.403 1.449 -10.668 1.00 0.00 C ATOM 518 SD MET A 35 1.965 2.966 -9.877 1.00 0.00 S ATOM 519 CE MET A 35 0.398 3.796 -9.628 1.00 0.00 C ATOM 0 H MET A 35 -0.421 -0.623 -10.103 1.00 0.00 H new ATOM 0 HA MET A 35 1.991 -1.204 -11.704 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.823 0.170 -9.007 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.114 0.259 -10.188 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.633 1.494 -11.732 1.00 0.00 H new ATOM 0 HG3 MET A 35 0.319 1.380 -10.579 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.576 4.812 -9.277 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.150 3.828 -10.569 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.187 3.253 -8.886 1.00 0.00 H new ATOM 529 N HIS A 36 1.069 -3.317 -9.899 1.00 0.00 N ATOM 530 CA HIS A 36 1.265 -4.509 -9.079 1.00 0.00 C ATOM 531 C HIS A 36 2.540 -5.289 -9.434 1.00 0.00 C ATOM 532 O HIS A 36 3.122 -5.915 -8.548 1.00 0.00 O ATOM 533 CB HIS A 36 0.034 -5.420 -9.161 1.00 0.00 C ATOM 534 CG HIS A 36 0.157 -6.547 -10.142 1.00 0.00 C ATOM 535 ND1 HIS A 36 0.861 -7.689 -9.837 1.00 0.00 N ATOM 536 CD2 HIS A 36 -0.357 -6.663 -11.390 1.00 0.00 C ATOM 537 CE1 HIS A 36 0.767 -8.467 -10.902 1.00 0.00 C ATOM 538 NE2 HIS A 36 0.039 -7.885 -11.867 1.00 0.00 N ATOM 0 H HIS A 36 0.245 -3.353 -10.499 1.00 0.00 H new ATOM 0 HA HIS A 36 1.395 -4.163 -8.053 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.161 -5.836 -8.172 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -0.832 -4.815 -9.429 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -0.962 -5.934 -11.909 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.218 -9.445 -10.984 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -0.179 -8.278 -12.783 1.00 0.00 H new ATOM 546 N PRO A 37 3.000 -5.290 -10.716 1.00 0.00 N ATOM 547 CA PRO A 37 4.215 -6.007 -11.113 1.00 0.00 C ATOM 548 C PRO A 37 5.288 -5.985 -10.028 1.00 0.00 C ATOM 549 O PRO A 37 6.035 -6.949 -9.858 1.00 0.00 O ATOM 550 CB PRO A 37 4.673 -5.232 -12.342 1.00 0.00 C ATOM 551 CG PRO A 37 3.407 -4.773 -12.983 1.00 0.00 C ATOM 552 CD PRO A 37 2.393 -4.599 -11.876 1.00 0.00 C ATOM 0 HA PRO A 37 4.032 -7.066 -11.296 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.308 -4.389 -12.067 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.254 -5.862 -13.016 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.562 -3.835 -13.516 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.058 -5.502 -13.715 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.213 -3.545 -11.663 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.432 -5.039 -12.143 1.00 0.00 H new ATOM 560 N THR A 38 5.335 -4.889 -9.273 1.00 0.00 N ATOM 561 CA THR A 38 6.274 -4.764 -8.167 1.00 0.00 C ATOM 562 C THR A 38 5.767 -5.546 -6.956 1.00 0.00 C ATOM 563 O THR A 38 6.133 -6.706 -6.764 1.00 0.00 O ATOM 564 CB THR A 38 6.478 -3.291 -7.803 1.00 0.00 C ATOM 565 OG1 THR A 38 6.919 -2.554 -8.932 1.00 0.00 O ATOM 566 CG2 THR A 38 7.486 -3.079 -6.695 1.00 0.00 C ATOM 0 H THR A 38 4.733 -4.077 -9.409 1.00 0.00 H new ATOM 0 HA THR A 38 7.234 -5.179 -8.475 1.00 0.00 H new ATOM 0 HB THR A 38 5.505 -2.942 -7.456 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.602 -1.908 -8.655 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.581 -2.013 -6.489 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.151 -3.595 -5.795 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.453 -3.477 -7.002 1.00 0.00 H new ATOM 574 N LEU A 39 4.912 -4.914 -6.151 1.00 0.00 N ATOM 575 CA LEU A 39 4.344 -5.569 -4.974 1.00 0.00 C ATOM 576 C LEU A 39 3.237 -4.725 -4.341 1.00 0.00 C ATOM 577 O LEU A 39 3.247 -4.496 -3.131 1.00 0.00 O ATOM 578 CB LEU A 39 5.442 -5.844 -3.941 1.00 0.00 C ATOM 579 CG LEU A 39 5.369 -7.212 -3.251 1.00 0.00 C ATOM 580 CD1 LEU A 39 4.107 -7.321 -2.408 1.00 0.00 C ATOM 581 CD2 LEU A 39 5.429 -8.336 -4.274 1.00 0.00 C ATOM 0 H LEU A 39 4.599 -3.953 -6.292 1.00 0.00 H new ATOM 0 HA LEU A 39 3.906 -6.513 -5.299 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.411 -5.756 -4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.401 -5.068 -3.177 1.00 0.00 H new ATOM 0 HG LEU A 39 6.231 -7.306 -2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.074 -8.299 -1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.110 -6.542 -1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.232 -7.201 -3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.376 -9.297 -3.762 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.590 -8.245 -4.964 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.364 -8.272 -4.830 1.00 0.00 H new ATOM 593 N ALA A 40 2.275 -4.287 -5.161 1.00 0.00 N ATOM 594 CA ALA A 40 1.157 -3.459 -4.691 1.00 0.00 C ATOM 595 C ALA A 40 0.683 -3.874 -3.299 1.00 0.00 C ATOM 596 O ALA A 40 0.358 -3.026 -2.466 1.00 0.00 O ATOM 597 CB ALA A 40 -0.001 -3.525 -5.680 1.00 0.00 C ATOM 0 H ALA A 40 2.248 -4.493 -6.160 1.00 0.00 H new ATOM 0 HA ALA A 40 1.517 -2.433 -4.623 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.823 -2.907 -5.319 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.329 -3.159 -6.652 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.338 -4.557 -5.777 1.00 0.00 H new ATOM 603 N GLY A 41 0.665 -5.181 -3.055 1.00 0.00 N ATOM 604 CA GLY A 41 0.220 -5.710 -1.775 1.00 0.00 C ATOM 605 C GLY A 41 0.763 -4.964 -0.571 1.00 0.00 C ATOM 606 O GLY A 41 -0.004 -4.409 0.214 1.00 0.00 O ATOM 0 H GLY A 41 0.954 -5.891 -3.728 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.869 -5.685 -1.743 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.517 -6.756 -1.704 1.00 0.00 H new ATOM 610 N LYS A 42 2.080 -4.992 -0.387 1.00 0.00 N ATOM 611 CA LYS A 42 2.695 -4.354 0.776 1.00 0.00 C ATOM 612 C LYS A 42 2.786 -2.837 0.623 1.00 0.00 C ATOM 613 O LYS A 42 2.791 -2.113 1.619 1.00 0.00 O ATOM 614 CB LYS A 42 4.090 -4.936 1.050 1.00 0.00 C ATOM 615 CG LYS A 42 4.648 -4.589 2.430 1.00 0.00 C ATOM 616 CD LYS A 42 3.555 -4.445 3.481 1.00 0.00 C ATOM 617 CE LYS A 42 4.045 -3.672 4.694 1.00 0.00 C ATOM 618 NZ LYS A 42 4.696 -4.563 5.691 1.00 0.00 N ATOM 0 H LYS A 42 2.738 -5.445 -1.021 1.00 0.00 H new ATOM 0 HA LYS A 42 2.046 -4.565 1.626 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.046 -6.020 0.949 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.780 -4.573 0.288 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.347 -5.365 2.741 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.212 -3.658 2.367 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.696 -3.934 3.046 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.215 -5.433 3.791 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.752 -2.906 4.375 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.205 -3.157 5.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.711 -4.094 6.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.163 -5.453 5.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.671 -4.766 5.391 1.00 0.00 H new ATOM 632 N ILE A 43 2.864 -2.357 -0.614 1.00 0.00 N ATOM 633 CA ILE A 43 2.973 -0.919 -0.860 1.00 0.00 C ATOM 634 C ILE A 43 1.849 -0.156 -0.172 1.00 0.00 C ATOM 635 O ILE A 43 2.095 0.816 0.540 1.00 0.00 O ATOM 636 CB ILE A 43 2.956 -0.574 -2.361 1.00 0.00 C ATOM 637 CG1 ILE A 43 3.664 -1.668 -3.170 1.00 0.00 C ATOM 638 CG2 ILE A 43 3.600 0.789 -2.581 1.00 0.00 C ATOM 639 CD1 ILE A 43 4.093 -1.246 -4.559 1.00 0.00 C ATOM 0 H ILE A 43 2.854 -2.934 -1.455 1.00 0.00 H new ATOM 0 HA ILE A 43 3.935 -0.618 -0.446 1.00 0.00 H new ATOM 0 HB ILE A 43 1.924 -0.525 -2.710 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.543 -1.999 -2.617 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.999 -2.527 -3.255 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.587 1.030 -3.644 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.044 1.547 -2.030 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.631 0.766 -2.227 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.584 -2.081 -5.058 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.218 -0.944 -5.134 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.786 -0.408 -4.487 1.00 0.00 H new ATOM 651 N THR A 44 0.616 -0.602 -0.389 1.00 0.00 N ATOM 652 CA THR A 44 -0.539 0.041 0.221 1.00 0.00 C ATOM 653 C THR A 44 -0.381 0.101 1.735 1.00 0.00 C ATOM 654 O THR A 44 -0.577 1.150 2.345 1.00 0.00 O ATOM 655 CB THR A 44 -1.824 -0.705 -0.150 1.00 0.00 C ATOM 656 OG1 THR A 44 -2.960 -0.029 0.358 1.00 0.00 O ATOM 657 CG2 THR A 44 -1.869 -2.124 0.365 1.00 0.00 C ATOM 0 H THR A 44 0.393 -1.403 -0.980 1.00 0.00 H new ATOM 0 HA THR A 44 -0.605 1.060 -0.160 1.00 0.00 H new ATOM 0 HB THR A 44 -1.832 -0.734 -1.240 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.771 -0.520 0.109 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.807 -2.591 0.065 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.034 -2.688 -0.050 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.798 -2.119 1.453 1.00 0.00 H new ATOM 665 N GLY A 45 0.020 -1.022 2.324 1.00 0.00 N ATOM 666 CA GLY A 45 0.202 -1.093 3.763 1.00 0.00 C ATOM 667 C GLY A 45 1.048 0.039 4.316 1.00 0.00 C ATOM 668 O GLY A 45 0.597 0.791 5.178 1.00 0.00 O ATOM 0 H GLY A 45 0.223 -1.889 1.827 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.774 -1.078 4.247 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.669 -2.044 4.017 1.00 0.00 H new ATOM 672 N MET A 46 2.285 0.147 3.842 1.00 0.00 N ATOM 673 CA MET A 46 3.195 1.187 4.322 1.00 0.00 C ATOM 674 C MET A 46 2.599 2.578 4.132 1.00 0.00 C ATOM 675 O MET A 46 2.527 3.365 5.077 1.00 0.00 O ATOM 676 CB MET A 46 4.554 1.105 3.613 1.00 0.00 C ATOM 677 CG MET A 46 4.550 0.269 2.343 1.00 0.00 C ATOM 678 SD MET A 46 5.552 -1.222 2.491 1.00 0.00 S ATOM 679 CE MET A 46 7.190 -0.517 2.656 1.00 0.00 C ATOM 0 H MET A 46 2.681 -0.467 3.130 1.00 0.00 H new ATOM 0 HA MET A 46 3.344 1.015 5.388 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.884 2.115 3.368 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.287 0.689 4.305 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.525 -0.009 2.099 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.922 0.872 1.515 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.845 -0.936 1.892 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.135 0.565 2.533 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.589 -0.750 3.643 1.00 0.00 H new ATOM 689 N LEU A 47 2.186 2.881 2.907 1.00 0.00 N ATOM 690 CA LEU A 47 1.621 4.189 2.593 1.00 0.00 C ATOM 691 C LEU A 47 0.155 4.288 3.011 1.00 0.00 C ATOM 692 O LEU A 47 -0.532 5.246 2.656 1.00 0.00 O ATOM 693 CB LEU A 47 1.758 4.479 1.094 1.00 0.00 C ATOM 694 CG LEU A 47 3.194 4.663 0.584 1.00 0.00 C ATOM 695 CD1 LEU A 47 3.997 5.552 1.523 1.00 0.00 C ATOM 696 CD2 LEU A 47 3.877 3.314 0.410 1.00 0.00 C ATOM 0 H LEU A 47 2.231 2.240 2.115 1.00 0.00 H new ATOM 0 HA LEU A 47 2.181 4.933 3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.296 3.662 0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.191 5.381 0.863 1.00 0.00 H new ATOM 0 HG LEU A 47 3.147 5.154 -0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.010 5.666 1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.523 6.531 1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.034 5.097 2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.894 3.465 0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.906 2.795 1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.321 2.715 -0.311 1.00 0.00 H new ATOM 708 N LEU A 48 -0.319 3.308 3.776 1.00 0.00 N ATOM 709 CA LEU A 48 -1.705 3.305 4.239 1.00 0.00 C ATOM 710 C LEU A 48 -1.957 4.473 5.187 1.00 0.00 C ATOM 711 O LEU A 48 -3.096 4.896 5.377 1.00 0.00 O ATOM 712 CB LEU A 48 -2.042 1.984 4.938 1.00 0.00 C ATOM 713 CG LEU A 48 -3.399 1.365 4.578 1.00 0.00 C ATOM 714 CD1 LEU A 48 -4.458 2.437 4.389 1.00 0.00 C ATOM 715 CD2 LEU A 48 -3.278 0.515 3.325 1.00 0.00 C ATOM 0 H LEU A 48 0.233 2.509 4.088 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.350 3.413 3.367 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.261 1.261 4.704 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.013 2.147 6.015 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.708 0.728 5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.409 1.968 4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.569 3.005 5.312 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.157 3.108 3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.249 0.083 3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.940 1.136 2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.558 -0.285 3.496 1.00 0.00 H new ATOM 727 N GLU A 49 -0.883 5.006 5.759 1.00 0.00 N ATOM 728 CA GLU A 49 -0.988 6.138 6.672 1.00 0.00 C ATOM 729 C GLU A 49 -1.235 7.435 5.902 1.00 0.00 C ATOM 730 O GLU A 49 -0.982 8.528 6.407 1.00 0.00 O ATOM 731 CB GLU A 49 0.287 6.259 7.509 1.00 0.00 C ATOM 732 CG GLU A 49 0.719 4.947 8.146 1.00 0.00 C ATOM 733 CD GLU A 49 0.885 5.057 9.650 1.00 0.00 C ATOM 734 OE1 GLU A 49 1.331 6.124 10.122 1.00 0.00 O ATOM 735 OE2 GLU A 49 0.567 4.077 10.355 1.00 0.00 O ATOM 0 H GLU A 49 0.069 4.673 5.607 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.835 5.966 7.336 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.094 6.630 6.877 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.129 7.000 8.293 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.019 4.177 7.921 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.661 4.625 7.703 1.00 0.00 H new ATOM 742 N ILE A 50 -1.745 7.299 4.681 1.00 0.00 N ATOM 743 CA ILE A 50 -2.026 8.448 3.829 1.00 0.00 C ATOM 744 C ILE A 50 -3.390 9.056 4.164 1.00 0.00 C ATOM 745 O ILE A 50 -4.212 8.430 4.833 1.00 0.00 O ATOM 746 CB ILE A 50 -1.959 8.050 2.334 1.00 0.00 C ATOM 747 CG1 ILE A 50 -0.967 8.947 1.594 1.00 0.00 C ATOM 748 CG2 ILE A 50 -3.329 8.103 1.667 1.00 0.00 C ATOM 749 CD1 ILE A 50 -0.571 8.411 0.237 1.00 0.00 C ATOM 0 H ILE A 50 -1.973 6.399 4.259 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.263 9.203 4.018 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.615 7.017 2.282 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.405 9.938 1.472 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.072 9.068 2.204 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.235 7.816 0.620 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.007 7.415 2.172 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.726 9.116 1.732 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.134 9.096 -0.233 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.104 7.433 0.354 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.458 8.317 -0.390 1.00 0.00 H new ATOM 761 N ASP A 51 -3.613 10.288 3.709 1.00 0.00 N ATOM 762 CA ASP A 51 -4.861 10.993 3.976 1.00 0.00 C ATOM 763 C ASP A 51 -6.026 10.389 3.206 1.00 0.00 C ATOM 764 O ASP A 51 -5.840 9.786 2.149 1.00 0.00 O ATOM 765 CB ASP A 51 -4.721 12.465 3.593 1.00 0.00 C ATOM 766 CG ASP A 51 -4.035 13.284 4.668 1.00 0.00 C ATOM 767 OD1 ASP A 51 -2.796 13.187 4.790 1.00 0.00 O ATOM 768 OD2 ASP A 51 -4.737 14.025 5.389 1.00 0.00 O ATOM 0 H ASP A 51 -2.942 10.818 3.152 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.067 10.899 5.042 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.154 12.543 2.665 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.709 12.882 3.399 1.00 0.00 H new ATOM 773 N ASN A 52 -7.234 10.593 3.722 1.00 0.00 N ATOM 774 CA ASN A 52 -8.439 10.117 3.056 1.00 0.00 C ATOM 775 C ASN A 52 -8.891 11.134 2.014 1.00 0.00 C ATOM 776 O ASN A 52 -9.474 10.781 0.988 1.00 0.00 O ATOM 777 CB ASN A 52 -9.554 9.863 4.075 1.00 0.00 C ATOM 778 CG ASN A 52 -9.502 8.459 4.650 1.00 0.00 C ATOM 779 OD1 ASN A 52 -10.122 7.509 3.957 1.00 0.00 O flip ATOM 780 ND2 ASN A 52 -8.911 8.231 5.706 1.00 0.00 N flip ATOM 0 H ASN A 52 -7.403 11.085 4.599 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.215 9.175 2.556 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -9.474 10.588 4.885 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.521 10.022 3.599 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -8.448 8.990 6.206 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.884 7.283 6.081 1.00 0.00 H new ATOM 787 N SER A 53 -8.600 12.404 2.273 1.00 0.00 N ATOM 788 CA SER A 53 -8.921 13.462 1.326 1.00 0.00 C ATOM 789 C SER A 53 -7.955 13.408 0.150 1.00 0.00 C ATOM 790 O SER A 53 -8.294 13.780 -0.974 1.00 0.00 O ATOM 791 CB SER A 53 -8.851 14.830 2.007 1.00 0.00 C ATOM 792 OG SER A 53 -9.988 15.052 2.825 1.00 0.00 O ATOM 0 H SER A 53 -8.144 12.724 3.128 1.00 0.00 H new ATOM 0 HA SER A 53 -9.937 13.313 0.961 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.946 14.893 2.612 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.784 15.613 1.251 1.00 0.00 H new ATOM 0 HG SER A 53 -9.918 15.932 3.250 1.00 0.00 H new ATOM 798 N GLU A 54 -6.751 12.915 0.420 1.00 0.00 N ATOM 799 CA GLU A 54 -5.733 12.779 -0.608 1.00 0.00 C ATOM 800 C GLU A 54 -5.981 11.525 -1.439 1.00 0.00 C ATOM 801 O GLU A 54 -5.620 11.468 -2.614 1.00 0.00 O ATOM 802 CB GLU A 54 -4.336 12.736 0.028 1.00 0.00 C ATOM 803 CG GLU A 54 -3.786 11.332 0.231 1.00 0.00 C ATOM 804 CD GLU A 54 -2.919 10.874 -0.924 1.00 0.00 C ATOM 805 OE1 GLU A 54 -2.181 11.713 -1.481 1.00 0.00 O ATOM 806 OE2 GLU A 54 -2.981 9.677 -1.276 1.00 0.00 O ATOM 0 H GLU A 54 -6.458 12.603 1.346 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.786 13.645 -1.268 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.645 13.297 -0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.372 13.243 0.992 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.203 11.304 1.152 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.615 10.636 0.357 1.00 0.00 H new ATOM 813 N LEU A 55 -6.607 10.523 -0.821 1.00 0.00 N ATOM 814 CA LEU A 55 -6.897 9.269 -1.504 1.00 0.00 C ATOM 815 C LEU A 55 -7.780 9.511 -2.721 1.00 0.00 C ATOM 816 O LEU A 55 -7.493 9.022 -3.814 1.00 0.00 O ATOM 817 CB LEU A 55 -7.549 8.266 -0.536 1.00 0.00 C ATOM 818 CG LEU A 55 -9.079 8.332 -0.393 1.00 0.00 C ATOM 819 CD1 LEU A 55 -9.778 7.580 -1.516 1.00 0.00 C ATOM 820 CD2 LEU A 55 -9.508 7.766 0.951 1.00 0.00 C ATOM 0 H LEU A 55 -6.921 10.558 0.149 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.958 8.840 -1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.281 7.260 -0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.109 8.412 0.451 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.371 9.380 -0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.858 7.648 -1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.503 8.019 -2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.475 6.533 -1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.593 7.819 1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.188 6.727 1.027 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.051 8.346 1.753 1.00 0.00 H new ATOM 832 N LEU A 56 -8.842 10.287 -2.533 1.00 0.00 N ATOM 833 CA LEU A 56 -9.759 10.590 -3.625 1.00 0.00 C ATOM 834 C LEU A 56 -9.055 11.391 -4.714 1.00 0.00 C ATOM 835 O LEU A 56 -9.215 11.112 -5.901 1.00 0.00 O ATOM 836 CB LEU A 56 -10.977 11.361 -3.113 1.00 0.00 C ATOM 837 CG LEU A 56 -10.662 12.567 -2.231 1.00 0.00 C ATOM 838 CD1 LEU A 56 -10.890 13.861 -2.998 1.00 0.00 C ATOM 839 CD2 LEU A 56 -11.507 12.537 -0.966 1.00 0.00 C ATOM 0 H LEU A 56 -9.088 10.715 -1.640 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.098 9.645 -4.050 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.558 11.701 -3.970 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -11.610 10.675 -2.550 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.612 12.520 -1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.661 14.711 -2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.242 13.884 -3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.931 13.917 -3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -11.269 13.404 -0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -12.563 12.560 -1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.294 11.625 -0.408 1.00 0.00 H new ATOM 851 N HIS A 57 -8.261 12.375 -4.303 1.00 0.00 N ATOM 852 CA HIS A 57 -7.526 13.209 -5.250 1.00 0.00 C ATOM 853 C HIS A 57 -6.600 12.365 -6.123 1.00 0.00 C ATOM 854 O HIS A 57 -6.192 12.790 -7.203 1.00 0.00 O ATOM 855 CB HIS A 57 -6.712 14.265 -4.500 1.00 0.00 C ATOM 856 CG HIS A 57 -7.399 15.591 -4.399 1.00 0.00 C ATOM 857 ND1 HIS A 57 -7.499 16.431 -5.482 1.00 0.00 N ATOM 858 CD2 HIS A 57 -7.999 16.171 -3.330 1.00 0.00 C ATOM 859 CE1 HIS A 57 -8.152 17.497 -5.054 1.00 0.00 C ATOM 860 NE2 HIS A 57 -8.475 17.383 -3.757 1.00 0.00 N ATOM 0 H HIS A 57 -8.110 12.615 -3.323 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.251 13.704 -5.897 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.496 13.900 -3.496 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.754 14.399 -5.003 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.085 15.758 -2.336 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -8.395 18.351 -5.669 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -8.979 18.069 -3.195 1.00 0.00 H new ATOM 868 N MET A 58 -6.256 11.175 -5.636 1.00 0.00 N ATOM 869 CA MET A 58 -5.368 10.269 -6.362 1.00 0.00 C ATOM 870 C MET A 58 -6.097 9.571 -7.508 1.00 0.00 C ATOM 871 O MET A 58 -5.607 9.544 -8.637 1.00 0.00 O ATOM 872 CB MET A 58 -4.781 9.230 -5.404 1.00 0.00 C ATOM 873 CG MET A 58 -3.863 9.828 -4.351 1.00 0.00 C ATOM 874 SD MET A 58 -2.207 10.161 -4.975 1.00 0.00 S ATOM 875 CE MET A 58 -2.198 11.952 -4.981 1.00 0.00 C ATOM 0 H MET A 58 -6.580 10.814 -4.739 1.00 0.00 H new ATOM 0 HA MET A 58 -4.561 10.863 -6.790 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.596 8.704 -4.908 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.227 8.489 -5.980 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.299 10.755 -3.980 1.00 0.00 H new ATOM 0 HG3 MET A 58 -3.796 9.145 -3.504 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.228 12.310 -5.327 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.979 12.318 -5.648 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.381 12.320 -3.972 1.00 0.00 H new ATOM 885 N LEU A 59 -7.261 9.000 -7.215 1.00 0.00 N ATOM 886 CA LEU A 59 -8.039 8.300 -8.233 1.00 0.00 C ATOM 887 C LEU A 59 -8.542 9.270 -9.295 1.00 0.00 C ATOM 888 O LEU A 59 -9.037 8.853 -10.343 1.00 0.00 O ATOM 889 CB LEU A 59 -9.213 7.549 -7.597 1.00 0.00 C ATOM 890 CG LEU A 59 -10.302 8.430 -6.986 1.00 0.00 C ATOM 891 CD1 LEU A 59 -11.481 8.550 -7.937 1.00 0.00 C ATOM 892 CD2 LEU A 59 -10.749 7.870 -5.645 1.00 0.00 C ATOM 0 H LEU A 59 -7.685 9.007 -6.287 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.385 7.574 -8.715 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -9.668 6.912 -8.355 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.823 6.891 -6.820 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.891 9.426 -6.821 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -12.248 9.180 -7.488 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.148 8.996 -8.874 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -11.893 7.560 -8.132 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -11.525 8.510 -5.224 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -11.144 6.864 -5.784 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.899 7.835 -4.964 1.00 0.00 H new ATOM 904 N GLU A 60 -8.399 10.563 -9.026 1.00 0.00 N ATOM 905 CA GLU A 60 -8.819 11.588 -9.972 1.00 0.00 C ATOM 906 C GLU A 60 -7.609 12.242 -10.631 1.00 0.00 C ATOM 907 O GLU A 60 -7.749 13.056 -11.543 1.00 0.00 O ATOM 908 CB GLU A 60 -9.666 12.647 -9.269 1.00 0.00 C ATOM 909 CG GLU A 60 -10.718 12.062 -8.344 1.00 0.00 C ATOM 910 CD GLU A 60 -12.120 12.163 -8.913 1.00 0.00 C ATOM 911 OE1 GLU A 60 -12.619 13.298 -9.061 1.00 0.00 O ATOM 912 OE2 GLU A 60 -12.718 11.108 -9.210 1.00 0.00 O ATOM 0 H GLU A 60 -7.996 10.925 -8.162 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.421 11.110 -10.745 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.011 13.302 -8.694 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.157 13.266 -10.020 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.484 11.015 -8.150 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.681 12.580 -7.385 1.00 0.00 H new ATOM 919 N SER A 61 -6.421 11.868 -10.167 1.00 0.00 N ATOM 920 CA SER A 61 -5.180 12.413 -10.706 1.00 0.00 C ATOM 921 C SER A 61 -4.277 11.300 -11.228 1.00 0.00 C ATOM 922 O SER A 61 -3.357 10.867 -10.540 1.00 0.00 O ATOM 923 CB SER A 61 -4.436 13.212 -9.632 1.00 0.00 C ATOM 924 OG SER A 61 -4.927 14.539 -9.548 1.00 0.00 O ATOM 0 H SER A 61 -6.291 11.188 -9.417 1.00 0.00 H new ATOM 0 HA SER A 61 -5.438 13.074 -11.534 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.547 12.719 -8.666 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.370 13.230 -9.861 1.00 0.00 H new ATOM 0 HG SER A 61 -4.436 15.026 -8.854 1.00 0.00 H new ATOM 930 N PRO A 62 -4.524 10.821 -12.458 1.00 0.00 N ATOM 931 CA PRO A 62 -3.710 9.764 -13.063 1.00 0.00 C ATOM 932 C PRO A 62 -2.241 10.165 -13.161 1.00 0.00 C ATOM 933 O PRO A 62 -1.348 9.326 -13.048 1.00 0.00 O ATOM 934 CB PRO A 62 -4.316 9.585 -14.461 1.00 0.00 C ATOM 935 CG PRO A 62 -5.110 10.824 -14.708 1.00 0.00 C ATOM 936 CD PRO A 62 -5.591 11.280 -13.361 1.00 0.00 C ATOM 0 HA PRO A 62 -3.723 8.849 -12.470 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.538 9.460 -15.214 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.948 8.698 -14.505 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.499 11.591 -15.185 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.949 10.624 -15.375 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.716 12.362 -13.322 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.554 10.839 -13.105 1.00 0.00 H new ATOM 944 N GLU A 63 -2.004 11.454 -13.383 1.00 0.00 N ATOM 945 CA GLU A 63 -0.649 11.978 -13.502 1.00 0.00 C ATOM 946 C GLU A 63 0.014 12.153 -12.137 1.00 0.00 C ATOM 947 O GLU A 63 1.159 11.747 -11.939 1.00 0.00 O ATOM 948 CB GLU A 63 -0.667 13.315 -14.245 1.00 0.00 C ATOM 949 CG GLU A 63 -1.078 13.194 -15.704 1.00 0.00 C ATOM 950 CD GLU A 63 0.111 13.038 -16.633 1.00 0.00 C ATOM 951 OE1 GLU A 63 0.619 11.905 -16.761 1.00 0.00 O ATOM 952 OE2 GLU A 63 0.532 14.050 -17.232 1.00 0.00 O ATOM 0 H GLU A 63 -2.736 12.157 -13.484 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.064 11.252 -14.067 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.353 13.994 -13.738 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.325 13.765 -14.191 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.741 12.337 -15.821 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.646 14.078 -15.992 1.00 0.00 H new ATOM 959 N SER A 64 -0.697 12.790 -11.210 1.00 0.00 N ATOM 960 CA SER A 64 -0.154 13.060 -9.882 1.00 0.00 C ATOM 961 C SER A 64 -0.033 11.784 -9.057 1.00 0.00 C ATOM 962 O SER A 64 1.032 11.476 -8.522 1.00 0.00 O ATOM 963 CB SER A 64 -1.040 14.068 -9.147 1.00 0.00 C ATOM 964 OG SER A 64 -1.271 15.219 -9.941 1.00 0.00 O ATOM 0 H SER A 64 -1.649 13.128 -11.354 1.00 0.00 H new ATOM 0 HA SER A 64 0.845 13.476 -10.010 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.992 13.602 -8.891 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.565 14.358 -8.210 1.00 0.00 H new ATOM 0 HG SER A 64 -1.841 15.847 -9.449 1.00 0.00 H new ATOM 970 N LEU A 65 -1.136 11.055 -8.952 1.00 0.00 N ATOM 971 CA LEU A 65 -1.180 9.828 -8.167 1.00 0.00 C ATOM 972 C LEU A 65 -0.146 8.816 -8.655 1.00 0.00 C ATOM 973 O LEU A 65 0.730 8.414 -7.892 1.00 0.00 O ATOM 974 CB LEU A 65 -2.601 9.242 -8.215 1.00 0.00 C ATOM 975 CG LEU A 65 -2.782 7.767 -7.812 1.00 0.00 C ATOM 976 CD1 LEU A 65 -2.664 6.868 -9.029 1.00 0.00 C ATOM 977 CD2 LEU A 65 -1.814 7.335 -6.720 1.00 0.00 C ATOM 0 H LEU A 65 -2.018 11.294 -9.404 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.928 10.063 -7.133 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.235 9.847 -7.567 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.978 9.361 -9.231 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.784 7.668 -7.395 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.794 5.829 -8.728 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.433 7.135 -9.754 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.680 6.994 -9.481 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.986 6.287 -6.475 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.790 7.462 -7.070 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.972 7.946 -5.831 1.00 0.00 H new ATOM 989 N ARG A 66 -0.262 8.381 -9.905 1.00 0.00 N ATOM 990 CA ARG A 66 0.653 7.376 -10.436 1.00 0.00 C ATOM 991 C ARG A 66 2.105 7.755 -10.163 1.00 0.00 C ATOM 992 O ARG A 66 2.941 6.890 -9.905 1.00 0.00 O ATOM 993 CB ARG A 66 0.434 7.170 -11.932 1.00 0.00 C ATOM 994 CG ARG A 66 0.941 5.825 -12.431 1.00 0.00 C ATOM 995 CD ARG A 66 -0.055 5.166 -13.373 1.00 0.00 C ATOM 996 NE ARG A 66 0.552 4.076 -14.133 1.00 0.00 N ATOM 997 CZ ARG A 66 0.367 3.892 -15.437 1.00 0.00 C ATOM 998 NH1 ARG A 66 -0.407 4.720 -16.126 1.00 0.00 N ATOM 999 NH2 ARG A 66 0.957 2.876 -16.054 1.00 0.00 N ATOM 0 H ARG A 66 -0.971 8.703 -10.563 1.00 0.00 H new ATOM 0 HA ARG A 66 0.441 6.437 -9.924 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.630 7.255 -12.152 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.937 7.967 -12.480 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.893 5.962 -12.945 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.129 5.168 -11.582 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.898 4.782 -12.799 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.451 5.912 -14.062 1.00 0.00 H new ATOM 0 HE ARG A 66 1.152 3.418 -13.635 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.863 5.502 -15.656 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.546 4.575 -17.126 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.552 2.236 -15.528 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.815 2.735 -17.054 1.00 0.00 H new ATOM 1013 N SER A 67 2.393 9.053 -10.194 1.00 0.00 N ATOM 1014 CA SER A 67 3.738 9.540 -9.909 1.00 0.00 C ATOM 1015 C SER A 67 4.076 9.319 -8.439 1.00 0.00 C ATOM 1016 O SER A 67 5.193 8.928 -8.091 1.00 0.00 O ATOM 1017 CB SER A 67 3.849 11.025 -10.257 1.00 0.00 C ATOM 1018 OG SER A 67 3.968 11.216 -11.657 1.00 0.00 O ATOM 0 H SER A 67 1.716 9.784 -10.413 1.00 0.00 H new ATOM 0 HA SER A 67 4.448 8.984 -10.521 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.970 11.554 -9.889 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.715 11.455 -9.754 1.00 0.00 H new ATOM 0 HG SER A 67 3.085 11.409 -12.037 1.00 0.00 H new ATOM 1024 N LYS A 68 3.084 9.538 -7.581 1.00 0.00 N ATOM 1025 CA LYS A 68 3.255 9.351 -6.149 1.00 0.00 C ATOM 1026 C LYS A 68 3.494 7.880 -5.826 1.00 0.00 C ATOM 1027 O LYS A 68 4.510 7.524 -5.230 1.00 0.00 O ATOM 1028 CB LYS A 68 2.021 9.859 -5.402 1.00 0.00 C ATOM 1029 CG LYS A 68 2.293 10.165 -3.940 1.00 0.00 C ATOM 1030 CD LYS A 68 1.414 9.338 -3.021 1.00 0.00 C ATOM 1031 CE LYS A 68 0.182 10.113 -2.588 1.00 0.00 C ATOM 1032 NZ LYS A 68 0.540 11.366 -1.866 1.00 0.00 N ATOM 0 H LYS A 68 2.151 9.846 -7.856 1.00 0.00 H new ATOM 0 HA LYS A 68 4.125 9.922 -5.827 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.652 10.760 -5.893 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.230 9.112 -5.470 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.341 9.968 -3.716 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.121 11.225 -3.752 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.110 8.424 -3.531 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.985 9.038 -2.142 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.419 10.358 -3.464 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.434 9.486 -1.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.284 11.705 -1.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.325 11.177 -1.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.829 12.092 -2.553 1.00 0.00 H new ATOM 1046 N VAL A 69 2.564 7.028 -6.245 1.00 0.00 N ATOM 1047 CA VAL A 69 2.688 5.595 -6.022 1.00 0.00 C ATOM 1048 C VAL A 69 3.901 5.044 -6.770 1.00 0.00 C ATOM 1049 O VAL A 69 4.434 3.992 -6.419 1.00 0.00 O ATOM 1050 CB VAL A 69 1.407 4.843 -6.446 1.00 0.00 C ATOM 1051 CG1 VAL A 69 1.667 3.354 -6.613 1.00 0.00 C ATOM 1052 CG2 VAL A 69 0.303 5.077 -5.428 1.00 0.00 C ATOM 0 H VAL A 69 1.717 7.306 -6.741 1.00 0.00 H new ATOM 0 HA VAL A 69 2.829 5.435 -4.953 1.00 0.00 H new ATOM 0 HB VAL A 69 1.090 5.235 -7.412 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.745 2.855 -6.912 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.427 3.201 -7.379 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.015 2.937 -5.668 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.596 4.543 -5.736 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.625 4.713 -4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.087 6.143 -5.364 1.00 0.00 H new ATOM 1062 N ASP A 70 4.356 5.778 -7.782 1.00 0.00 N ATOM 1063 CA ASP A 70 5.547 5.382 -8.521 1.00 0.00 C ATOM 1064 C ASP A 70 6.696 5.169 -7.545 1.00 0.00 C ATOM 1065 O ASP A 70 7.355 4.129 -7.552 1.00 0.00 O ATOM 1066 CB ASP A 70 5.922 6.446 -9.554 1.00 0.00 C ATOM 1067 CG ASP A 70 6.912 5.932 -10.581 1.00 0.00 C ATOM 1068 OD1 ASP A 70 6.542 5.033 -11.365 1.00 0.00 O ATOM 1069 OD2 ASP A 70 8.057 6.432 -10.603 1.00 0.00 O ATOM 0 H ASP A 70 3.921 6.642 -8.106 1.00 0.00 H new ATOM 0 HA ASP A 70 5.342 4.453 -9.052 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.021 6.789 -10.062 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.348 7.310 -9.044 1.00 0.00 H new ATOM 1074 N GLU A 71 6.886 6.143 -6.661 1.00 0.00 N ATOM 1075 CA GLU A 71 7.906 6.034 -5.629 1.00 0.00 C ATOM 1076 C GLU A 71 7.521 4.951 -4.631 1.00 0.00 C ATOM 1077 O GLU A 71 8.381 4.314 -4.025 1.00 0.00 O ATOM 1078 CB GLU A 71 8.079 7.363 -4.897 1.00 0.00 C ATOM 1079 CG GLU A 71 9.266 7.374 -3.949 1.00 0.00 C ATOM 1080 CD GLU A 71 10.135 8.605 -4.111 1.00 0.00 C ATOM 1081 OE1 GLU A 71 10.983 8.617 -5.029 1.00 0.00 O ATOM 1082 OE2 GLU A 71 9.968 9.558 -3.322 1.00 0.00 O ATOM 0 H GLU A 71 6.350 7.011 -6.640 1.00 0.00 H new ATOM 0 HA GLU A 71 8.850 5.772 -6.107 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.200 8.161 -5.630 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.171 7.582 -4.335 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.905 7.322 -2.922 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.870 6.483 -4.120 1.00 0.00 H new ATOM 1089 N ALA A 72 6.216 4.756 -4.468 1.00 0.00 N ATOM 1090 CA ALA A 72 5.697 3.750 -3.551 1.00 0.00 C ATOM 1091 C ALA A 72 6.211 2.362 -3.915 1.00 0.00 C ATOM 1092 O ALA A 72 6.690 1.626 -3.052 1.00 0.00 O ATOM 1093 CB ALA A 72 4.181 3.788 -3.537 1.00 0.00 C ATOM 0 H ALA A 72 5.497 5.285 -4.962 1.00 0.00 H new ATOM 0 HA ALA A 72 6.055 3.978 -2.547 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.804 3.032 -2.848 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.845 4.773 -3.214 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.803 3.586 -4.539 1.00 0.00 H new ATOM 1099 N VAL A 73 6.136 2.012 -5.198 1.00 0.00 N ATOM 1100 CA VAL A 73 6.651 0.726 -5.650 1.00 0.00 C ATOM 1101 C VAL A 73 8.133 0.627 -5.316 1.00 0.00 C ATOM 1102 O VAL A 73 8.649 -0.449 -5.011 1.00 0.00 O ATOM 1103 CB VAL A 73 6.444 0.503 -7.167 1.00 0.00 C ATOM 1104 CG1 VAL A 73 5.077 1.013 -7.608 1.00 0.00 C ATOM 1105 CG2 VAL A 73 7.556 1.155 -7.978 1.00 0.00 C ATOM 0 H VAL A 73 5.730 2.593 -5.931 1.00 0.00 H new ATOM 0 HA VAL A 73 6.090 -0.051 -5.130 1.00 0.00 H new ATOM 0 HB VAL A 73 6.483 -0.570 -7.355 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.954 0.846 -8.678 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.297 0.479 -7.065 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.001 2.080 -7.397 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.382 0.981 -9.040 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.567 2.227 -7.783 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.516 0.724 -7.692 1.00 0.00 H new ATOM 1115 N ALA A 74 8.799 1.778 -5.336 1.00 0.00 N ATOM 1116 CA ALA A 74 10.221 1.851 -5.033 1.00 0.00 C ATOM 1117 C ALA A 74 10.489 1.562 -3.560 1.00 0.00 C ATOM 1118 O ALA A 74 11.470 0.898 -3.224 1.00 0.00 O ATOM 1119 CB ALA A 74 10.776 3.216 -5.414 1.00 0.00 C ATOM 0 H ALA A 74 8.372 2.677 -5.560 1.00 0.00 H new ATOM 0 HA ALA A 74 10.728 1.087 -5.623 1.00 0.00 H new ATOM 0 HB1 ALA A 74 11.840 3.254 -5.181 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.632 3.382 -6.482 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.254 3.991 -4.853 1.00 0.00 H new ATOM 1125 N VAL A 75 9.622 2.066 -2.683 1.00 0.00 N ATOM 1126 CA VAL A 75 9.783 1.837 -1.249 1.00 0.00 C ATOM 1127 C VAL A 75 9.851 0.338 -0.966 1.00 0.00 C ATOM 1128 O VAL A 75 10.525 -0.100 -0.035 1.00 0.00 O ATOM 1129 CB VAL A 75 8.652 2.496 -0.415 1.00 0.00 C ATOM 1130 CG1 VAL A 75 8.145 3.757 -1.097 1.00 0.00 C ATOM 1131 CG2 VAL A 75 7.505 1.531 -0.159 1.00 0.00 C ATOM 0 H VAL A 75 8.810 2.629 -2.936 1.00 0.00 H new ATOM 0 HA VAL A 75 10.718 2.308 -0.944 1.00 0.00 H new ATOM 0 HB VAL A 75 9.076 2.768 0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.353 4.203 -0.495 1.00 0.00 H new ATOM 0 HG12 VAL A 75 8.964 4.468 -1.202 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.754 3.505 -2.083 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.734 2.030 0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 75 7.084 1.206 -1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.874 0.664 0.389 1.00 0.00 H new ATOM 1141 N LEU A 76 9.180 -0.442 -1.812 1.00 0.00 N ATOM 1142 CA LEU A 76 9.201 -1.898 -1.700 1.00 0.00 C ATOM 1143 C LEU A 76 10.553 -2.439 -2.119 1.00 0.00 C ATOM 1144 O LEU A 76 11.175 -3.222 -1.402 1.00 0.00 O ATOM 1145 CB LEU A 76 8.119 -2.513 -2.585 1.00 0.00 C ATOM 1146 CG LEU A 76 6.736 -2.597 -1.951 1.00 0.00 C ATOM 1147 CD1 LEU A 76 6.691 -3.707 -0.913 1.00 0.00 C ATOM 1148 CD2 LEU A 76 6.355 -1.264 -1.330 1.00 0.00 C ATOM 0 H LEU A 76 8.614 -0.088 -2.584 1.00 0.00 H new ATOM 0 HA LEU A 76 9.012 -2.163 -0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.046 -1.929 -3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.432 -3.517 -2.871 1.00 0.00 H new ATOM 0 HG LEU A 76 6.012 -2.831 -2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.696 -3.752 -0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.920 -4.660 -1.390 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.425 -3.506 -0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 76 5.365 -1.341 -0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.082 -1.000 -0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.345 -0.493 -2.101 1.00 0.00 H new ATOM 1160 N GLN A 77 10.994 -2.010 -3.294 1.00 0.00 N ATOM 1161 CA GLN A 77 12.282 -2.426 -3.827 1.00 0.00 C ATOM 1162 C GLN A 77 13.371 -2.216 -2.782 1.00 0.00 C ATOM 1163 O GLN A 77 14.310 -3.004 -2.676 1.00 0.00 O ATOM 1164 CB GLN A 77 12.603 -1.639 -5.100 1.00 0.00 C ATOM 1165 CG GLN A 77 11.936 -2.201 -6.345 1.00 0.00 C ATOM 1166 CD GLN A 77 12.446 -3.581 -6.710 1.00 0.00 C ATOM 1167 OE1 GLN A 77 13.542 -3.977 -6.310 1.00 0.00 O ATOM 1168 NE2 GLN A 77 11.652 -4.323 -7.472 1.00 0.00 N ATOM 0 H GLN A 77 10.476 -1.372 -3.897 1.00 0.00 H new ATOM 0 HA GLN A 77 12.238 -3.486 -4.076 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.290 -0.603 -4.966 1.00 0.00 H new ATOM 0 HB3 GLN A 77 13.683 -1.629 -5.249 1.00 0.00 H new ATOM 0 HG2 GLN A 77 10.859 -2.247 -6.186 1.00 0.00 H new ATOM 0 HG3 GLN A 77 12.106 -1.523 -7.181 1.00 0.00 H new ATOM 0 HE21 GLN A 77 10.752 -3.955 -7.781 1.00 0.00 H new ATOM 0 HE22 GLN A 77 11.942 -5.261 -7.749 1.00 0.00 H new ATOM 1177 N ALA A 78 13.217 -1.155 -1.994 1.00 0.00 N ATOM 1178 CA ALA A 78 14.149 -0.855 -0.916 1.00 0.00 C ATOM 1179 C ALA A 78 13.820 -1.680 0.327 1.00 0.00 C ATOM 1180 O ALA A 78 14.708 -2.030 1.106 1.00 0.00 O ATOM 1181 CB ALA A 78 14.122 0.631 -0.592 1.00 0.00 C ATOM 0 H ALA A 78 12.451 -0.487 -2.084 1.00 0.00 H new ATOM 0 HA ALA A 78 15.153 -1.121 -1.245 1.00 0.00 H new ATOM 0 HB1 ALA A 78 14.824 0.840 0.216 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.406 1.201 -1.476 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.117 0.918 -0.283 1.00 0.00 H new ATOM 1187 N HIS A 79 12.534 -1.978 0.510 1.00 0.00 N ATOM 1188 CA HIS A 79 12.080 -2.755 1.661 1.00 0.00 C ATOM 1189 C HIS A 79 12.727 -4.134 1.680 1.00 0.00 C ATOM 1190 O HIS A 79 13.518 -4.443 2.570 1.00 0.00 O ATOM 1191 CB HIS A 79 10.550 -2.890 1.653 1.00 0.00 C ATOM 1192 CG HIS A 79 9.991 -3.409 2.940 1.00 0.00 C ATOM 1193 ND1 HIS A 79 10.754 -3.462 4.083 1.00 0.00 N ATOM 1194 CD2 HIS A 79 8.750 -3.882 3.215 1.00 0.00 C ATOM 1195 CE1 HIS A 79 9.969 -3.963 5.020 1.00 0.00 C ATOM 1196 NE2 HIS A 79 8.747 -4.233 4.540 1.00 0.00 N ATOM 0 H HIS A 79 11.788 -1.693 -0.125 1.00 0.00 H new ATOM 0 HA HIS A 79 12.381 -2.222 2.563 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.108 -1.917 1.440 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.256 -3.557 0.843 1.00 0.00 H new ATOM 0 HD2 HIS A 79 7.924 -3.966 2.524 1.00 0.00 H new ATOM 0 HE1 HIS A 79 10.273 -4.133 6.042 1.00 0.00 H new ATOM 0 HE2 HIS A 79 7.963 -4.625 5.062 1.00 0.00 H new ATOM 1538 N ASN B 5 10.191 5.978 2.348 1.00 0.00 N ATOM 1539 CA ASN B 5 10.379 7.057 1.382 1.00 0.00 C ATOM 1540 C ASN B 5 9.295 8.121 1.532 1.00 0.00 C ATOM 1541 O ASN B 5 9.515 9.159 2.157 1.00 0.00 O ATOM 1542 CB ASN B 5 10.373 6.500 -0.043 1.00 0.00 C ATOM 1543 CG ASN B 5 11.691 5.849 -0.415 1.00 0.00 C ATOM 1544 OD1 ASN B 5 11.718 4.773 -1.014 1.00 0.00 O ATOM 1545 ND2 ASN B 5 12.794 6.500 -0.062 1.00 0.00 N ATOM 0 HA ASN B 5 11.345 7.522 1.579 1.00 0.00 H new ATOM 0 HB2 ASN B 5 9.570 5.770 -0.141 1.00 0.00 H new ATOM 0 HB3 ASN B 5 10.158 7.306 -0.744 1.00 0.00 H new ATOM 0 HD21 ASN B 5 13.710 6.111 -0.286 1.00 0.00 H new ATOM 0 HD22 ASN B 5 12.725 7.389 0.433 1.00 0.00 H new ATOM 1552 N LEU B 6 8.126 7.861 0.949 1.00 0.00 N ATOM 1553 CA LEU B 6 7.012 8.801 1.017 1.00 0.00 C ATOM 1554 C LEU B 6 6.539 8.976 2.457 1.00 0.00 C ATOM 1555 O LEU B 6 6.843 9.981 3.100 1.00 0.00 O ATOM 1556 CB LEU B 6 5.857 8.323 0.133 1.00 0.00 C ATOM 1557 CG LEU B 6 5.976 8.703 -1.345 1.00 0.00 C ATOM 1558 CD1 LEU B 6 5.090 7.811 -2.202 1.00 0.00 C ATOM 1559 CD2 LEU B 6 5.617 10.167 -1.550 1.00 0.00 C ATOM 0 H LEU B 6 7.927 7.008 0.426 1.00 0.00 H new ATOM 0 HA LEU B 6 7.358 9.767 0.650 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.785 7.238 0.209 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.926 8.732 0.524 1.00 0.00 H new ATOM 0 HG LEU B 6 7.011 8.555 -1.654 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.189 8.098 -3.249 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.394 6.771 -2.080 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.051 7.924 -1.892 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.707 10.419 -2.607 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.592 10.340 -1.222 1.00 0.00 H new ATOM 0 HD23 LEU B 6 6.294 10.793 -0.969 1.00 0.00 H new ATOM 1571 N ASN B 7 5.803 7.990 2.963 1.00 0.00 N ATOM 1572 CA ASN B 7 5.310 8.034 4.335 1.00 0.00 C ATOM 1573 C ASN B 7 6.426 7.706 5.318 1.00 0.00 C ATOM 1574 O ASN B 7 7.064 6.659 5.211 1.00 0.00 O ATOM 1575 CB ASN B 7 4.171 7.038 4.529 1.00 0.00 C ATOM 1576 CG ASN B 7 3.088 7.570 5.447 1.00 0.00 C ATOM 1577 OD1 ASN B 7 3.186 7.235 6.728 1.00 0.00 O flip ATOM 1578 ND2 ASN B 7 2.179 8.275 5.012 1.00 0.00 N flip ATOM 0 H ASN B 7 5.536 7.153 2.444 1.00 0.00 H new ATOM 0 HA ASN B 7 4.946 9.044 4.524 1.00 0.00 H new ATOM 0 HB2 ASN B 7 3.735 6.795 3.560 1.00 0.00 H new ATOM 0 HB3 ASN B 7 4.569 6.111 4.941 1.00 0.00 H new ATOM 0 HD21 ASN B 7 2.144 8.507 4.019 1.00 0.00 H new ATOM 0 HD22 ASN B 7 1.460 8.628 5.644 1.00 0.00 H new ATOM 1585 N PRO B 8 6.662 8.575 6.314 1.00 0.00 N ATOM 1586 CA PRO B 8 7.702 8.352 7.314 1.00 0.00 C ATOM 1587 C PRO B 8 7.303 7.283 8.326 1.00 0.00 C ATOM 1588 O PRO B 8 8.089 6.920 9.201 1.00 0.00 O ATOM 1589 CB PRO B 8 7.858 9.717 8.005 1.00 0.00 C ATOM 1590 CG PRO B 8 7.010 10.673 7.226 1.00 0.00 C ATOM 1591 CD PRO B 8 5.964 9.846 6.536 1.00 0.00 C ATOM 0 HA PRO B 8 8.626 7.993 6.861 1.00 0.00 H new ATOM 0 HB2 PRO B 8 7.535 9.667 9.045 1.00 0.00 H new ATOM 0 HB3 PRO B 8 8.901 10.035 8.010 1.00 0.00 H new ATOM 0 HG2 PRO B 8 6.550 11.410 7.885 1.00 0.00 H new ATOM 0 HG3 PRO B 8 7.610 11.223 6.502 1.00 0.00 H new ATOM 0 HD2 PRO B 8 5.075 9.719 7.153 1.00 0.00 H new ATOM 0 HD3 PRO B 8 5.640 10.300 5.600 1.00 0.00 H new ATOM 1599 N ASN B 9 6.071 6.796 8.209 1.00 0.00 N ATOM 1600 CA ASN B 9 5.567 5.768 9.114 1.00 0.00 C ATOM 1601 C ASN B 9 5.090 4.544 8.340 1.00 0.00 C ATOM 1602 O ASN B 9 3.942 4.123 8.471 1.00 0.00 O ATOM 1603 CB ASN B 9 4.425 6.324 9.968 1.00 0.00 C ATOM 1604 CG ASN B 9 4.904 7.354 10.972 1.00 0.00 C ATOM 1605 OD1 ASN B 9 6.099 7.465 11.245 1.00 0.00 O ATOM 1606 ND2 ASN B 9 3.968 8.113 11.532 1.00 0.00 N ATOM 0 H ASN B 9 5.404 7.096 7.498 1.00 0.00 H new ATOM 0 HA ASN B 9 6.385 5.464 9.767 1.00 0.00 H new ATOM 0 HB2 ASN B 9 3.675 6.775 9.318 1.00 0.00 H new ATOM 0 HB3 ASN B 9 3.938 5.505 10.496 1.00 0.00 H new ATOM 0 HD21 ASN B 9 4.229 8.822 12.218 1.00 0.00 H new ATOM 0 HD22 ASN B 9 2.989 7.987 11.276 1.00 0.00 H new ATOM 1613 N ALA B 10 5.970 3.995 7.512 1.00 0.00 N ATOM 1614 CA ALA B 10 5.647 2.815 6.718 1.00 0.00 C ATOM 1615 C ALA B 10 5.282 1.626 7.607 1.00 0.00 C ATOM 1616 O ALA B 10 6.153 0.858 8.017 1.00 0.00 O ATOM 1617 CB ALA B 10 6.812 2.458 5.808 1.00 0.00 C ATOM 0 H ALA B 10 6.916 4.349 7.372 1.00 0.00 H new ATOM 0 HA ALA B 10 4.777 3.051 6.105 1.00 0.00 H new ATOM 0 HB1 ALA B 10 6.558 1.575 5.221 1.00 0.00 H new ATOM 0 HB2 ALA B 10 7.019 3.292 5.138 1.00 0.00 H new ATOM 0 HB3 ALA B 10 7.695 2.250 6.412 1.00 0.00 H new ATOM 1623 N LYS B 11 3.992 1.472 7.889 1.00 0.00 N ATOM 1624 CA LYS B 11 3.513 0.364 8.713 1.00 0.00 C ATOM 1625 C LYS B 11 2.740 -0.640 7.866 1.00 0.00 C ATOM 1626 O LYS B 11 2.361 -0.345 6.736 1.00 0.00 O ATOM 1627 CB LYS B 11 2.619 0.881 9.843 1.00 0.00 C ATOM 1628 CG LYS B 11 3.106 2.178 10.465 1.00 0.00 C ATOM 1629 CD LYS B 11 3.346 2.026 11.958 1.00 0.00 C ATOM 1630 CE LYS B 11 2.271 2.729 12.770 1.00 0.00 C ATOM 1631 NZ LYS B 11 2.328 4.208 12.606 1.00 0.00 N ATOM 0 H LYS B 11 3.259 2.100 7.560 1.00 0.00 H new ATOM 0 HA LYS B 11 4.381 -0.133 9.147 1.00 0.00 H new ATOM 0 HB2 LYS B 11 1.611 1.030 9.457 1.00 0.00 H new ATOM 0 HB3 LYS B 11 2.553 0.119 10.619 1.00 0.00 H new ATOM 0 HG2 LYS B 11 4.029 2.492 9.978 1.00 0.00 H new ATOM 0 HG3 LYS B 11 2.371 2.964 10.292 1.00 0.00 H new ATOM 0 HD2 LYS B 11 3.366 0.968 12.218 1.00 0.00 H new ATOM 0 HD3 LYS B 11 4.323 2.436 12.214 1.00 0.00 H new ATOM 0 HE2 LYS B 11 1.290 2.367 12.463 1.00 0.00 H new ATOM 0 HE3 LYS B 11 2.388 2.476 13.824 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 2.220 4.665 13.534 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 3.244 4.476 12.193 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 1.560 4.517 11.976 1.00 0.00 H new ATOM 1645 N GLU B 12 2.502 -1.826 8.417 1.00 0.00 N ATOM 1646 CA GLU B 12 1.759 -2.861 7.704 1.00 0.00 C ATOM 1647 C GLU B 12 0.299 -2.450 7.526 1.00 0.00 C ATOM 1648 O GLU B 12 -0.176 -1.524 8.184 1.00 0.00 O ATOM 1649 CB GLU B 12 1.839 -4.189 8.461 1.00 0.00 C ATOM 1650 CG GLU B 12 2.275 -5.361 7.596 1.00 0.00 C ATOM 1651 CD GLU B 12 1.224 -5.767 6.584 1.00 0.00 C ATOM 1652 OE1 GLU B 12 0.052 -5.940 6.980 1.00 0.00 O ATOM 1653 OE2 GLU B 12 1.573 -5.915 5.393 1.00 0.00 O ATOM 0 H GLU B 12 2.811 -2.094 9.351 1.00 0.00 H new ATOM 0 HA GLU B 12 2.208 -2.987 6.719 1.00 0.00 H new ATOM 0 HB2 GLU B 12 2.537 -4.082 9.291 1.00 0.00 H new ATOM 0 HB3 GLU B 12 0.863 -4.411 8.892 1.00 0.00 H new ATOM 0 HG2 GLU B 12 3.194 -5.098 7.073 1.00 0.00 H new ATOM 0 HG3 GLU B 12 2.505 -6.213 8.236 1.00 0.00 H new ATOM 1660 N PHE B 13 -0.409 -3.145 6.640 1.00 0.00 N ATOM 1661 CA PHE B 13 -1.816 -2.848 6.392 1.00 0.00 C ATOM 1662 C PHE B 13 -2.707 -3.631 7.349 1.00 0.00 C ATOM 1663 O PHE B 13 -2.953 -4.822 7.155 1.00 0.00 O ATOM 1664 CB PHE B 13 -2.194 -3.174 4.937 1.00 0.00 C ATOM 1665 CG PHE B 13 -3.533 -2.631 4.490 1.00 0.00 C ATOM 1666 CD1 PHE B 13 -4.396 -2.003 5.384 1.00 0.00 C ATOM 1667 CD2 PHE B 13 -3.929 -2.753 3.165 1.00 0.00 C ATOM 1668 CE1 PHE B 13 -5.617 -1.513 4.963 1.00 0.00 C ATOM 1669 CE2 PHE B 13 -5.149 -2.259 2.742 1.00 0.00 C ATOM 1670 CZ PHE B 13 -5.992 -1.643 3.642 1.00 0.00 C ATOM 0 H PHE B 13 -0.034 -3.914 6.085 1.00 0.00 H new ATOM 0 HA PHE B 13 -1.970 -1.782 6.562 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -1.420 -2.779 4.279 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.197 -4.257 4.812 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -4.107 -1.898 6.419 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -3.276 -3.240 2.456 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.277 -1.029 5.667 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.441 -2.356 1.707 1.00 0.00 H new ATOM 0 HZ PHE B 13 -6.947 -1.262 3.312 1.00 0.00 H new ATOM 1733 N LYS B 18 -9.689 2.833 9.828 1.00 0.00 N ATOM 1734 CA LYS B 18 -9.161 3.715 8.791 1.00 0.00 C ATOM 1735 C LYS B 18 -7.726 4.119 9.106 1.00 0.00 C ATOM 1736 O LYS B 18 -7.486 5.046 9.879 1.00 0.00 O ATOM 1737 CB LYS B 18 -10.035 4.963 8.645 1.00 0.00 C ATOM 1738 CG LYS B 18 -10.658 5.435 9.949 1.00 0.00 C ATOM 1739 CD LYS B 18 -12.166 5.583 9.824 1.00 0.00 C ATOM 1740 CE LYS B 18 -12.889 4.980 11.017 1.00 0.00 C ATOM 1741 NZ LYS B 18 -14.186 5.663 11.286 1.00 0.00 N ATOM 0 HA LYS B 18 -9.172 3.168 7.848 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -9.432 5.770 8.229 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -10.830 4.756 7.928 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -10.426 4.725 10.743 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -10.220 6.390 10.238 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -12.422 6.639 9.738 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -12.505 5.097 8.909 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -13.068 3.920 10.835 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -12.253 5.049 11.899 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -14.647 5.222 12.107 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -14.014 6.669 11.485 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -14.804 5.576 10.454 1.00 0.00 H new ATOM 1755 N TYR B 19 -6.774 3.413 8.504 1.00 0.00 N ATOM 1756 CA TYR B 19 -5.359 3.690 8.722 1.00 0.00 C ATOM 1757 C TYR B 19 -4.984 5.068 8.184 1.00 0.00 C ATOM 1758 O TYR B 19 -5.226 5.377 7.017 1.00 0.00 O ATOM 1759 CB TYR B 19 -4.502 2.614 8.053 1.00 0.00 C ATOM 1760 CG TYR B 19 -3.644 1.832 9.021 1.00 0.00 C ATOM 1761 CD1 TYR B 19 -4.220 1.023 9.994 1.00 0.00 C ATOM 1762 CD2 TYR B 19 -2.258 1.900 8.962 1.00 0.00 C ATOM 1763 CE1 TYR B 19 -3.440 0.307 10.881 1.00 0.00 C ATOM 1764 CE2 TYR B 19 -1.470 1.185 9.844 1.00 0.00 C ATOM 1765 CZ TYR B 19 -2.066 0.391 10.801 1.00 0.00 C ATOM 1766 OH TYR B 19 -1.286 -0.323 11.683 1.00 0.00 O ATOM 0 H TYR B 19 -6.958 2.643 7.860 1.00 0.00 H new ATOM 0 HA TYR B 19 -5.171 3.679 9.796 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -5.154 1.923 7.519 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -3.859 3.085 7.309 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -5.296 0.953 10.057 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -1.788 2.522 8.214 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -3.903 -0.315 11.633 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -0.393 1.248 9.784 1.00 0.00 H new ATOM 0 HH TYR B 19 -0.339 -0.155 11.492 1.00 0.00 H new