USER MOD reduce.3.24.130724 H: found=0, std=0, add=333, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 327 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 334 HIS : no HE2:sc= -7.35! C(o=-10!,f=-14!) USER MOD Set 1.2: A 359 CYS SG : rot 119:sc= 0.67! USER MOD Set 1.3: A 361 HIS : no HD1:sc= -0.0578 K(o=-10,f=-11) USER MOD Set 1.4: A 362 CYS SG : rot 47:sc= -4.18 USER MOD Set 1.5: A 377 CYS SG : rot 70:sc= 0.634! USER MOD Set 2.1: A 346 CYS SG : rot 168:sc= -4.83! USER MOD Set 2.2: A 349 CYS SG : rot -47:sc= -1.06 USER MOD Set 2.3: A 367 HIS : no HD1:sc= -11.6! C(o=-19!,f=-34!) USER MOD Set 2.4: A 370 CYS SG : rot -160:sc= -1.31 USER MOD Single : A 337 SER OG : rot 180:sc= 0 USER MOD Single : A 338 THR OG1 : rot 180:sc= 0 USER MOD Single : A 339 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 340 SER OG : rot -62:sc= -0.069 USER MOD Single : A 344 GLN : amide:sc= -0.251 K(o=-0.25,f=-2.7!) USER MOD Single : A 347 ASN : amide:sc= -0.825 K(o=-0.82,f=-3!) USER MOD Single : A 350 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 351 LYS NZ :NH3+ 159:sc= -0.0325 (180deg=-0.289) USER MOD Single : A 352 SER OG : rot 180:sc= 0 USER MOD Single : A 353 MET CE :methyl 146:sc= -6.13! (180deg=-10.3!) USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 360 LYS NZ :NH3+ 149:sc= -0.304 (180deg=-1.35!) USER MOD Single : A 365 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 CYS SG : rot -90:sc= -3.5! USER MOD Single : A 368 ASN : amide:sc= -1.29 K(o=-1.3,f=-6.7!) USER MOD Single : A 369 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 371 THR OG1 : rot 180:sc= 0.00834 USER MOD Single : A 372 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 51 N HIS A 334 77.774 11.140 -3.169 1.00 0.00 N ATOM 52 CA HIS A 334 76.394 10.731 -2.932 1.00 0.00 C ATOM 53 C HIS A 334 76.157 10.456 -1.451 1.00 0.00 C ATOM 54 O HIS A 334 77.102 10.243 -0.691 1.00 0.00 O ATOM 55 CB HIS A 334 76.055 9.496 -3.769 1.00 0.00 C ATOM 56 CG HIS A 334 75.813 9.821 -5.210 1.00 0.00 C ATOM 57 ND1 HIS A 334 76.001 8.890 -6.207 1.00 0.00 N ATOM 58 CD2 HIS A 334 75.420 10.993 -5.765 1.00 0.00 C ATOM 59 CE1 HIS A 334 75.721 9.520 -7.338 1.00 0.00 C ATOM 60 NE2 HIS A 334 75.365 10.793 -7.118 1.00 0.00 N ATOM 0 HA HIS A 334 75.737 11.547 -3.234 1.00 0.00 H new ATOM 0 HB2 HIS A 334 76.871 8.777 -3.695 1.00 0.00 H new ATOM 0 HB3 HIS A 334 75.169 9.015 -3.356 1.00 0.00 H new ATOM 0 HD1 HIS A 334 76.294 7.919 -6.098 1.00 0.00 H new ATOM 0 HD2 HIS A 334 75.194 11.909 -5.240 1.00 0.00 H new ATOM 0 HE1 HIS A 334 75.773 9.064 -8.316 1.00 0.00 H new ATOM 68 N ARG A 335 74.892 10.474 -1.044 1.00 0.00 N ATOM 69 CA ARG A 335 74.538 10.240 0.350 1.00 0.00 C ATOM 70 C ARG A 335 74.233 8.767 0.600 1.00 0.00 C ATOM 71 O ARG A 335 73.285 8.212 0.046 1.00 0.00 O ATOM 72 CB ARG A 335 73.331 11.094 0.742 1.00 0.00 C ATOM 73 CG ARG A 335 73.423 12.534 0.263 1.00 0.00 C ATOM 74 CD ARG A 335 72.727 12.722 -1.075 1.00 0.00 C ATOM 75 NE ARG A 335 72.221 14.082 -1.243 1.00 0.00 N ATOM 76 CZ ARG A 335 71.153 14.559 -0.608 1.00 0.00 C ATOM 77 NH1 ARG A 335 70.476 13.791 0.237 1.00 0.00 N ATOM 78 NH2 ARG A 335 70.760 15.808 -0.818 1.00 0.00 N ATOM 0 H ARG A 335 74.097 10.648 -1.659 1.00 0.00 H new ATOM 0 HA ARG A 335 75.393 10.523 0.964 1.00 0.00 H new ATOM 0 HB2 ARG A 335 72.428 10.641 0.333 1.00 0.00 H new ATOM 0 HB3 ARG A 335 73.228 11.087 1.827 1.00 0.00 H new ATOM 0 HG2 ARG A 335 72.973 13.194 1.004 1.00 0.00 H new ATOM 0 HG3 ARG A 335 74.470 12.822 0.173 1.00 0.00 H new ATOM 0 HD2 ARG A 335 73.424 12.492 -1.881 1.00 0.00 H new ATOM 0 HD3 ARG A 335 71.901 12.015 -1.156 1.00 0.00 H new ATOM 0 HE ARG A 335 72.715 14.702 -1.884 1.00 0.00 H new ATOM 0 HH11 ARG A 335 70.774 12.830 0.403 1.00 0.00 H new ATOM 0 HH12 ARG A 335 69.658 14.162 0.721 1.00 0.00 H new ATOM 0 HH21 ARG A 335 71.276 16.403 -1.466 1.00 0.00 H new ATOM 0 HH22 ARG A 335 69.942 16.174 -0.331 1.00 0.00 H new ATOM 92 N PHE A 336 75.051 8.143 1.441 1.00 0.00 N ATOM 93 CA PHE A 336 74.900 6.751 1.782 1.00 0.00 C ATOM 94 C PHE A 336 74.065 6.585 3.052 1.00 0.00 C ATOM 95 O PHE A 336 74.047 7.468 3.910 1.00 0.00 O ATOM 96 CB PHE A 336 76.289 6.165 1.991 1.00 0.00 C ATOM 97 CG PHE A 336 76.762 5.277 0.877 1.00 0.00 C ATOM 98 CD1 PHE A 336 76.004 4.192 0.470 1.00 0.00 C ATOM 99 CD2 PHE A 336 77.969 5.523 0.243 1.00 0.00 C ATOM 100 CE1 PHE A 336 76.439 3.370 -0.551 1.00 0.00 C ATOM 101 CE2 PHE A 336 78.411 4.704 -0.778 1.00 0.00 C ATOM 102 CZ PHE A 336 77.645 3.626 -1.175 1.00 0.00 C ATOM 0 H PHE A 336 75.838 8.599 1.902 1.00 0.00 H new ATOM 0 HA PHE A 336 74.381 6.231 0.977 1.00 0.00 H new ATOM 0 HB2 PHE A 336 77.000 6.982 2.115 1.00 0.00 H new ATOM 0 HB3 PHE A 336 76.294 5.595 2.920 1.00 0.00 H new ATOM 0 HD1 PHE A 336 75.062 3.986 0.956 1.00 0.00 H new ATOM 0 HD2 PHE A 336 78.571 6.365 0.551 1.00 0.00 H new ATOM 0 HE1 PHE A 336 75.837 2.528 -0.861 1.00 0.00 H new ATOM 0 HE2 PHE A 336 79.354 4.907 -1.265 1.00 0.00 H new ATOM 0 HZ PHE A 336 77.988 2.984 -1.972 1.00 0.00 H new ATOM 112 N SER A 337 73.381 5.451 3.170 1.00 0.00 N ATOM 113 CA SER A 337 72.555 5.178 4.346 1.00 0.00 C ATOM 114 C SER A 337 72.971 3.870 5.015 1.00 0.00 C ATOM 115 O SER A 337 73.104 2.842 4.353 1.00 0.00 O ATOM 116 CB SER A 337 71.078 5.115 3.953 1.00 0.00 C ATOM 117 OG SER A 337 70.280 4.668 5.035 1.00 0.00 O ATOM 0 H SER A 337 73.381 4.708 2.471 1.00 0.00 H new ATOM 0 HA SER A 337 72.702 5.991 5.058 1.00 0.00 H new ATOM 0 HB2 SER A 337 70.742 6.101 3.632 1.00 0.00 H new ATOM 0 HB3 SER A 337 70.953 4.444 3.103 1.00 0.00 H new ATOM 0 HG SER A 337 69.340 4.638 4.758 1.00 0.00 H new ATOM 123 N THR A 338 73.176 3.911 6.333 1.00 0.00 N ATOM 124 CA THR A 338 73.578 2.719 7.077 1.00 0.00 C ATOM 125 C THR A 338 72.383 1.820 7.366 1.00 0.00 C ATOM 126 O THR A 338 71.403 2.241 7.981 1.00 0.00 O ATOM 127 CB THR A 338 74.265 3.095 8.389 1.00 0.00 C ATOM 128 OG1 THR A 338 75.365 3.955 8.153 1.00 0.00 O ATOM 129 CG2 THR A 338 74.775 1.891 9.158 1.00 0.00 C ATOM 0 H THR A 338 73.071 4.751 6.902 1.00 0.00 H new ATOM 0 HA THR A 338 74.285 2.173 6.452 1.00 0.00 H new ATOM 0 HB THR A 338 73.501 3.593 8.986 1.00 0.00 H new ATOM 0 HG1 THR A 338 75.789 4.185 9.006 1.00 0.00 H new ATOM 0 HG21 THR A 338 75.252 2.224 10.080 1.00 0.00 H new ATOM 0 HG22 THR A 338 73.940 1.233 9.399 1.00 0.00 H new ATOM 0 HG23 THR A 338 75.499 1.350 8.549 1.00 0.00 H new ATOM 137 N LYS A 339 72.479 0.580 6.911 1.00 0.00 N ATOM 138 CA LYS A 339 71.422 -0.401 7.102 1.00 0.00 C ATOM 139 C LYS A 339 71.996 -1.815 7.144 1.00 0.00 C ATOM 140 O LYS A 339 73.070 -2.082 6.594 1.00 0.00 O ATOM 141 CB LYS A 339 70.386 -0.291 5.981 1.00 0.00 C ATOM 142 CG LYS A 339 69.553 0.978 6.045 1.00 0.00 C ATOM 143 CD LYS A 339 68.619 0.972 7.244 1.00 0.00 C ATOM 144 CE LYS A 339 67.211 0.553 6.851 1.00 0.00 C ATOM 145 NZ LYS A 339 66.460 1.665 6.207 1.00 0.00 N ATOM 0 H LYS A 339 73.288 0.227 6.401 1.00 0.00 H new ATOM 0 HA LYS A 339 70.936 -0.196 8.056 1.00 0.00 H new ATOM 0 HB2 LYS A 339 70.898 -0.332 5.019 1.00 0.00 H new ATOM 0 HB3 LYS A 339 69.722 -1.154 6.025 1.00 0.00 H new ATOM 0 HG2 LYS A 339 70.212 1.844 6.100 1.00 0.00 H new ATOM 0 HG3 LYS A 339 68.970 1.079 5.129 1.00 0.00 H new ATOM 0 HD2 LYS A 339 69.004 0.291 8.003 1.00 0.00 H new ATOM 0 HD3 LYS A 339 68.593 1.966 7.691 1.00 0.00 H new ATOM 0 HE2 LYS A 339 67.262 -0.294 6.167 1.00 0.00 H new ATOM 0 HE3 LYS A 339 66.672 0.216 7.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 65.505 1.339 5.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 66.389 2.465 6.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 66.960 1.970 5.348 1.00 0.00 H new ATOM 159 N SER A 340 71.268 -2.717 7.796 1.00 0.00 N ATOM 160 CA SER A 340 71.684 -4.109 7.909 1.00 0.00 C ATOM 161 C SER A 340 70.766 -5.001 7.076 1.00 0.00 C ATOM 162 O SER A 340 69.919 -5.715 7.613 1.00 0.00 O ATOM 163 CB SER A 340 71.665 -4.553 9.374 1.00 0.00 C ATOM 164 OG SER A 340 71.534 -5.960 9.484 1.00 0.00 O ATOM 0 H SER A 340 70.382 -2.506 8.256 1.00 0.00 H new ATOM 0 HA SER A 340 72.702 -4.201 7.531 1.00 0.00 H new ATOM 0 HB2 SER A 340 72.583 -4.232 9.866 1.00 0.00 H new ATOM 0 HB3 SER A 340 70.839 -4.067 9.893 1.00 0.00 H new ATOM 0 HG SER A 340 70.679 -6.240 9.096 1.00 0.00 H new ATOM 224 N GLN A 344 73.481 -9.039 5.959 1.00 0.00 N ATOM 225 CA GLN A 344 74.247 -9.479 4.799 1.00 0.00 C ATOM 226 C GLN A 344 75.733 -9.185 4.980 1.00 0.00 C ATOM 227 O GLN A 344 76.160 -8.716 6.035 1.00 0.00 O ATOM 228 CB GLN A 344 73.729 -8.795 3.532 1.00 0.00 C ATOM 229 CG GLN A 344 72.669 -9.599 2.796 1.00 0.00 C ATOM 230 CD GLN A 344 73.256 -10.757 2.012 1.00 0.00 C ATOM 231 OE1 GLN A 344 73.855 -11.668 2.584 1.00 0.00 O ATOM 232 NE2 GLN A 344 73.086 -10.726 0.696 1.00 0.00 N ATOM 0 HA GLN A 344 74.121 -10.557 4.700 1.00 0.00 H new ATOM 0 HB2 GLN A 344 73.316 -7.822 3.798 1.00 0.00 H new ATOM 0 HB3 GLN A 344 74.567 -8.613 2.859 1.00 0.00 H new ATOM 0 HG2 GLN A 344 71.944 -9.982 3.515 1.00 0.00 H new ATOM 0 HG3 GLN A 344 72.127 -8.942 2.116 1.00 0.00 H new ATOM 0 HE21 GLN A 344 72.583 -9.951 0.265 1.00 0.00 H new ATOM 0 HE22 GLN A 344 73.459 -11.478 0.116 1.00 0.00 H new ATOM 241 N VAL A 345 76.514 -9.464 3.942 1.00 0.00 N ATOM 242 CA VAL A 345 77.953 -9.233 3.980 1.00 0.00 C ATOM 243 C VAL A 345 78.359 -8.146 2.989 1.00 0.00 C ATOM 244 O VAL A 345 77.811 -8.061 1.890 1.00 0.00 O ATOM 245 CB VAL A 345 78.737 -10.523 3.665 1.00 0.00 C ATOM 246 CG1 VAL A 345 80.228 -10.314 3.882 1.00 0.00 C ATOM 247 CG2 VAL A 345 78.225 -11.681 4.510 1.00 0.00 C ATOM 0 H VAL A 345 76.173 -9.851 3.062 1.00 0.00 H new ATOM 0 HA VAL A 345 78.197 -8.908 4.991 1.00 0.00 H new ATOM 0 HB VAL A 345 78.579 -10.771 2.615 1.00 0.00 H new ATOM 0 HG11 VAL A 345 80.762 -11.237 3.654 1.00 0.00 H new ATOM 0 HG12 VAL A 345 80.583 -9.518 3.227 1.00 0.00 H new ATOM 0 HG13 VAL A 345 80.409 -10.037 4.921 1.00 0.00 H new ATOM 0 HG21 VAL A 345 78.791 -12.582 4.273 1.00 0.00 H new ATOM 0 HG22 VAL A 345 78.348 -11.443 5.567 1.00 0.00 H new ATOM 0 HG23 VAL A 345 77.169 -11.849 4.296 1.00 0.00 H new ATOM 257 N CYS A 346 79.320 -7.314 3.389 1.00 0.00 N ATOM 258 CA CYS A 346 79.806 -6.223 2.542 1.00 0.00 C ATOM 259 C CYS A 346 79.971 -6.672 1.091 1.00 0.00 C ATOM 260 O CYS A 346 80.816 -7.510 0.781 1.00 0.00 O ATOM 261 CB CYS A 346 81.139 -5.693 3.080 1.00 0.00 C ATOM 262 SG CYS A 346 81.817 -4.286 2.139 1.00 0.00 S ATOM 0 H CYS A 346 79.779 -7.374 4.298 1.00 0.00 H new ATOM 0 HA CYS A 346 79.063 -5.426 2.565 1.00 0.00 H new ATOM 0 HB2 CYS A 346 81.004 -5.390 4.118 1.00 0.00 H new ATOM 0 HB3 CYS A 346 81.868 -6.503 3.076 1.00 0.00 H new ATOM 0 HG CYS A 346 82.789 -3.744 2.810 1.00 0.00 H new ATOM 267 N ASN A 347 79.153 -6.109 0.206 1.00 0.00 N ATOM 268 CA ASN A 347 79.204 -6.453 -1.211 1.00 0.00 C ATOM 269 C ASN A 347 80.578 -6.155 -1.808 1.00 0.00 C ATOM 270 O ASN A 347 80.929 -6.676 -2.867 1.00 0.00 O ATOM 271 CB ASN A 347 78.126 -5.684 -1.981 1.00 0.00 C ATOM 272 CG ASN A 347 76.731 -6.203 -1.695 1.00 0.00 C ATOM 273 OD1 ASN A 347 76.429 -6.626 -0.579 1.00 0.00 O ATOM 274 ND2 ASN A 347 75.870 -6.174 -2.707 1.00 0.00 N ATOM 0 H ASN A 347 78.447 -5.413 0.445 1.00 0.00 H new ATOM 0 HA ASN A 347 79.019 -7.524 -1.300 1.00 0.00 H new ATOM 0 HB2 ASN A 347 78.179 -4.628 -1.718 1.00 0.00 H new ATOM 0 HB3 ASN A 347 78.326 -5.756 -3.050 1.00 0.00 H new ATOM 0 HD21 ASN A 347 74.916 -6.511 -2.575 1.00 0.00 H new ATOM 0 HD22 ASN A 347 76.163 -5.815 -3.616 1.00 0.00 H new ATOM 281 N VAL A 348 81.349 -5.309 -1.132 1.00 0.00 N ATOM 282 CA VAL A 348 82.677 -4.939 -1.608 1.00 0.00 C ATOM 283 C VAL A 348 83.735 -5.966 -1.197 1.00 0.00 C ATOM 284 O VAL A 348 84.168 -6.779 -2.013 1.00 0.00 O ATOM 285 CB VAL A 348 83.087 -3.546 -1.090 1.00 0.00 C ATOM 286 CG1 VAL A 348 84.354 -3.069 -1.782 1.00 0.00 C ATOM 287 CG2 VAL A 348 81.955 -2.549 -1.291 1.00 0.00 C ATOM 0 H VAL A 348 81.077 -4.867 -0.254 1.00 0.00 H new ATOM 0 HA VAL A 348 82.623 -4.914 -2.696 1.00 0.00 H new ATOM 0 HB VAL A 348 83.291 -3.622 -0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 348 84.627 -2.084 -1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 348 85.163 -3.771 -1.584 1.00 0.00 H new ATOM 0 HG13 VAL A 348 84.181 -3.009 -2.857 1.00 0.00 H new ATOM 0 HG21 VAL A 348 82.261 -1.571 -0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 348 81.718 -2.476 -2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 348 81.073 -2.884 -0.745 1.00 0.00 H new ATOM 297 N CYS A 349 84.155 -5.919 0.066 1.00 0.00 N ATOM 298 CA CYS A 349 85.170 -6.842 0.570 1.00 0.00 C ATOM 299 C CYS A 349 84.543 -8.110 1.149 1.00 0.00 C ATOM 300 O CYS A 349 85.222 -9.123 1.311 1.00 0.00 O ATOM 301 CB CYS A 349 86.028 -6.155 1.634 1.00 0.00 C ATOM 302 SG CYS A 349 85.127 -5.732 3.160 1.00 0.00 S ATOM 0 H CYS A 349 83.809 -5.254 0.757 1.00 0.00 H new ATOM 0 HA CYS A 349 85.798 -7.132 -0.272 1.00 0.00 H new ATOM 0 HB2 CYS A 349 86.864 -6.807 1.888 1.00 0.00 H new ATOM 0 HB3 CYS A 349 86.451 -5.244 1.211 1.00 0.00 H new ATOM 0 HG CYS A 349 84.007 -5.147 2.855 1.00 0.00 H new ATOM 307 N GLN A 350 83.249 -8.046 1.462 1.00 0.00 N ATOM 308 CA GLN A 350 82.525 -9.188 2.027 1.00 0.00 C ATOM 309 C GLN A 350 83.325 -9.874 3.134 1.00 0.00 C ATOM 310 O GLN A 350 84.190 -10.707 2.865 1.00 0.00 O ATOM 311 CB GLN A 350 82.167 -10.199 0.930 1.00 0.00 C ATOM 312 CG GLN A 350 83.333 -10.583 0.034 1.00 0.00 C ATOM 313 CD GLN A 350 82.968 -11.665 -0.964 1.00 0.00 C ATOM 314 OE1 GLN A 350 83.138 -12.855 -0.697 1.00 0.00 O ATOM 315 NE2 GLN A 350 82.464 -11.256 -2.122 1.00 0.00 N ATOM 0 H GLN A 350 82.677 -7.211 1.334 1.00 0.00 H new ATOM 0 HA GLN A 350 81.606 -8.803 2.468 1.00 0.00 H new ATOM 0 HB2 GLN A 350 81.770 -11.100 1.397 1.00 0.00 H new ATOM 0 HB3 GLN A 350 81.371 -9.782 0.313 1.00 0.00 H new ATOM 0 HG2 GLN A 350 83.680 -9.700 -0.503 1.00 0.00 H new ATOM 0 HG3 GLN A 350 84.163 -10.928 0.651 1.00 0.00 H new ATOM 0 HE21 GLN A 350 82.340 -10.259 -2.301 1.00 0.00 H new ATOM 0 HE22 GLN A 350 82.200 -11.938 -2.833 1.00 0.00 H new ATOM 324 N LYS A 351 83.024 -9.519 4.380 1.00 0.00 N ATOM 325 CA LYS A 351 83.711 -10.100 5.529 1.00 0.00 C ATOM 326 C LYS A 351 82.724 -10.438 6.644 1.00 0.00 C ATOM 327 O LYS A 351 81.546 -10.087 6.571 1.00 0.00 O ATOM 328 CB LYS A 351 84.777 -9.136 6.053 1.00 0.00 C ATOM 329 CG LYS A 351 86.055 -9.136 5.229 1.00 0.00 C ATOM 330 CD LYS A 351 87.136 -9.987 5.875 1.00 0.00 C ATOM 331 CE LYS A 351 87.003 -11.449 5.481 1.00 0.00 C ATOM 332 NZ LYS A 351 87.338 -11.671 4.047 1.00 0.00 N ATOM 0 H LYS A 351 82.309 -8.832 4.620 1.00 0.00 H new ATOM 0 HA LYS A 351 84.191 -11.022 5.203 1.00 0.00 H new ATOM 0 HB2 LYS A 351 84.366 -8.127 6.070 1.00 0.00 H new ATOM 0 HB3 LYS A 351 85.018 -9.399 7.083 1.00 0.00 H new ATOM 0 HG2 LYS A 351 85.844 -9.513 4.228 1.00 0.00 H new ATOM 0 HG3 LYS A 351 86.415 -8.114 5.115 1.00 0.00 H new ATOM 0 HD2 LYS A 351 88.118 -9.617 5.579 1.00 0.00 H new ATOM 0 HD3 LYS A 351 87.074 -9.894 6.959 1.00 0.00 H new ATOM 0 HE2 LYS A 351 87.660 -12.054 6.105 1.00 0.00 H new ATOM 0 HE3 LYS A 351 85.984 -11.785 5.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 87.583 -12.671 3.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 86.518 -11.424 3.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 88.147 -11.073 3.783 1.00 0.00 H new ATOM 346 N SER A 352 83.214 -11.123 7.673 1.00 0.00 N ATOM 347 CA SER A 352 82.377 -11.512 8.805 1.00 0.00 C ATOM 348 C SER A 352 81.819 -10.286 9.522 1.00 0.00 C ATOM 349 O SER A 352 82.375 -9.831 10.522 1.00 0.00 O ATOM 350 CB SER A 352 83.179 -12.369 9.786 1.00 0.00 C ATOM 351 OG SER A 352 83.120 -13.740 9.433 1.00 0.00 O ATOM 0 H SER A 352 84.187 -11.421 7.747 1.00 0.00 H new ATOM 0 HA SER A 352 81.540 -12.095 8.420 1.00 0.00 H new ATOM 0 HB2 SER A 352 84.217 -12.038 9.798 1.00 0.00 H new ATOM 0 HB3 SER A 352 82.789 -12.233 10.795 1.00 0.00 H new ATOM 0 HG SER A 352 83.642 -14.266 10.075 1.00 0.00 H new ATOM 357 N MET A 353 80.715 -9.759 9.004 1.00 0.00 N ATOM 358 CA MET A 353 80.073 -8.585 9.589 1.00 0.00 C ATOM 359 C MET A 353 78.733 -8.317 8.912 1.00 0.00 C ATOM 360 O MET A 353 78.325 -9.057 8.017 1.00 0.00 O ATOM 361 CB MET A 353 80.977 -7.347 9.477 1.00 0.00 C ATOM 362 CG MET A 353 81.968 -7.386 8.318 1.00 0.00 C ATOM 363 SD MET A 353 83.617 -6.830 8.796 1.00 0.00 S ATOM 364 CE MET A 353 84.361 -8.373 9.317 1.00 0.00 C ATOM 0 H MET A 353 80.244 -10.127 8.177 1.00 0.00 H new ATOM 0 HA MET A 353 79.901 -8.789 10.646 1.00 0.00 H new ATOM 0 HB2 MET A 353 80.348 -6.463 9.370 1.00 0.00 H new ATOM 0 HB3 MET A 353 81.532 -7.233 10.408 1.00 0.00 H new ATOM 0 HG2 MET A 353 82.029 -8.403 7.931 1.00 0.00 H new ATOM 0 HG3 MET A 353 81.598 -6.759 7.507 1.00 0.00 H new ATOM 0 HE1 MET A 353 85.422 -8.367 9.069 1.00 0.00 H new ATOM 0 HE2 MET A 353 84.241 -8.489 10.394 1.00 0.00 H new ATOM 0 HE3 MET A 353 83.873 -9.203 8.806 1.00 0.00 H new ATOM 374 N ILE A 354 78.080 -7.221 9.292 1.00 0.00 N ATOM 375 CA ILE A 354 76.855 -6.827 8.684 1.00 0.00 C ATOM 376 C ILE A 354 76.858 -5.335 8.563 1.00 0.00 C ATOM 377 O ILE A 354 76.443 -4.586 9.447 1.00 0.00 O ATOM 378 CB ILE A 354 75.641 -7.253 9.502 1.00 0.00 C ATOM 379 CG1 ILE A 354 75.506 -8.772 9.478 1.00 0.00 C ATOM 380 CG2 ILE A 354 74.370 -6.582 8.989 1.00 0.00 C ATOM 381 CD1 ILE A 354 76.136 -9.456 10.671 1.00 0.00 C ATOM 0 H ILE A 354 78.402 -6.596 10.031 1.00 0.00 H new ATOM 0 HA ILE A 354 76.782 -7.312 7.711 1.00 0.00 H new ATOM 0 HB ILE A 354 75.786 -6.932 10.533 1.00 0.00 H new ATOM 0 HG12 ILE A 354 74.449 -9.034 9.437 1.00 0.00 H new ATOM 0 HG13 ILE A 354 75.965 -9.155 8.566 1.00 0.00 H new ATOM 0 HG21 ILE A 354 73.520 -6.904 9.591 1.00 0.00 H new ATOM 0 HG22 ILE A 354 74.476 -5.500 9.060 1.00 0.00 H new ATOM 0 HG23 ILE A 354 74.205 -6.863 7.949 1.00 0.00 H new ATOM 0 HD11 ILE A 354 76.001 -10.534 10.586 1.00 0.00 H new ATOM 0 HD12 ILE A 354 77.201 -9.225 10.702 1.00 0.00 H new ATOM 0 HD13 ILE A 354 75.661 -9.102 11.586 1.00 0.00 H new ATOM 393 N PHE A 355 77.306 -4.962 7.438 1.00 0.00 N ATOM 394 CA PHE A 355 77.393 -3.569 7.032 1.00 0.00 C ATOM 395 C PHE A 355 76.971 -3.400 5.577 1.00 0.00 C ATOM 396 O PHE A 355 77.560 -4.006 4.682 1.00 0.00 O ATOM 397 CB PHE A 355 78.816 -3.047 7.228 1.00 0.00 C ATOM 398 CG PHE A 355 79.118 -2.645 8.644 1.00 0.00 C ATOM 399 CD1 PHE A 355 78.296 -1.754 9.315 1.00 0.00 C ATOM 400 CD2 PHE A 355 80.224 -3.158 9.302 1.00 0.00 C ATOM 401 CE1 PHE A 355 78.572 -1.383 10.618 1.00 0.00 C ATOM 402 CE2 PHE A 355 80.505 -2.791 10.605 1.00 0.00 C ATOM 403 CZ PHE A 355 79.677 -1.902 11.263 1.00 0.00 C ATOM 0 H PHE A 355 77.641 -5.615 6.729 1.00 0.00 H new ATOM 0 HA PHE A 355 76.713 -2.990 7.658 1.00 0.00 H new ATOM 0 HB2 PHE A 355 79.523 -3.817 6.919 1.00 0.00 H new ATOM 0 HB3 PHE A 355 78.973 -2.189 6.574 1.00 0.00 H new ATOM 0 HD1 PHE A 355 77.431 -1.345 8.815 1.00 0.00 H new ATOM 0 HD2 PHE A 355 80.874 -3.853 8.791 1.00 0.00 H new ATOM 0 HE1 PHE A 355 77.924 -0.688 11.131 1.00 0.00 H new ATOM 0 HE2 PHE A 355 81.370 -3.198 11.107 1.00 0.00 H new ATOM 0 HZ PHE A 355 79.894 -1.613 12.281 1.00 0.00 H new ATOM 413 N GLY A 356 75.970 -2.562 5.337 1.00 0.00 N ATOM 414 CA GLY A 356 75.528 -2.328 3.977 1.00 0.00 C ATOM 415 C GLY A 356 74.988 -0.939 3.791 1.00 0.00 C ATOM 416 O GLY A 356 73.956 -0.581 4.344 1.00 0.00 O ATOM 0 H GLY A 356 75.461 -2.045 6.053 1.00 0.00 H new ATOM 0 HA2 GLY A 356 76.361 -2.487 3.293 1.00 0.00 H new ATOM 0 HA3 GLY A 356 74.758 -3.054 3.716 1.00 0.00 H new ATOM 420 N VAL A 357 75.693 -0.163 3.004 1.00 0.00 N ATOM 421 CA VAL A 357 75.298 1.210 2.732 1.00 0.00 C ATOM 422 C VAL A 357 74.683 1.332 1.347 1.00 0.00 C ATOM 423 O VAL A 357 75.177 0.755 0.382 1.00 0.00 O ATOM 424 CB VAL A 357 76.488 2.185 2.861 1.00 0.00 C ATOM 425 CG1 VAL A 357 77.091 2.104 4.256 1.00 0.00 C ATOM 426 CG2 VAL A 357 77.548 1.908 1.802 1.00 0.00 C ATOM 0 H VAL A 357 76.550 -0.456 2.535 1.00 0.00 H new ATOM 0 HA VAL A 357 74.553 1.481 3.480 1.00 0.00 H new ATOM 0 HB VAL A 357 76.113 3.196 2.700 1.00 0.00 H new ATOM 0 HG11 VAL A 357 77.929 2.797 4.331 1.00 0.00 H new ATOM 0 HG12 VAL A 357 76.335 2.368 4.995 1.00 0.00 H new ATOM 0 HG13 VAL A 357 77.442 1.089 4.442 1.00 0.00 H new ATOM 0 HG21 VAL A 357 78.372 2.611 1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 357 77.920 0.890 1.917 1.00 0.00 H new ATOM 0 HG23 VAL A 357 77.111 2.024 0.810 1.00 0.00 H new ATOM 436 N LYS A 358 73.592 2.078 1.258 1.00 0.00 N ATOM 437 CA LYS A 358 72.907 2.260 -0.009 1.00 0.00 C ATOM 438 C LYS A 358 73.210 3.627 -0.605 1.00 0.00 C ATOM 439 O LYS A 358 72.923 4.660 0.002 1.00 0.00 O ATOM 440 CB LYS A 358 71.398 2.096 0.176 1.00 0.00 C ATOM 441 CG LYS A 358 70.689 1.558 -1.056 1.00 0.00 C ATOM 442 CD LYS A 358 69.203 1.876 -1.027 1.00 0.00 C ATOM 443 CE LYS A 358 68.401 0.865 -1.830 1.00 0.00 C ATOM 444 NZ LYS A 358 67.038 0.662 -1.265 1.00 0.00 N ATOM 0 H LYS A 358 73.165 2.565 2.046 1.00 0.00 H new ATOM 0 HA LYS A 358 73.269 1.497 -0.699 1.00 0.00 H new ATOM 0 HB2 LYS A 358 71.214 1.423 1.014 1.00 0.00 H new ATOM 0 HB3 LYS A 358 70.966 3.061 0.441 1.00 0.00 H new ATOM 0 HG2 LYS A 358 71.137 1.988 -1.952 1.00 0.00 H new ATOM 0 HG3 LYS A 358 70.830 0.479 -1.116 1.00 0.00 H new ATOM 0 HD2 LYS A 358 68.852 1.884 0.005 1.00 0.00 H new ATOM 0 HD3 LYS A 358 69.036 2.876 -1.428 1.00 0.00 H new ATOM 0 HE2 LYS A 358 68.319 1.204 -2.863 1.00 0.00 H new ATOM 0 HE3 LYS A 358 68.932 -0.087 -1.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 358 66.524 -0.034 -1.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 358 67.115 0.314 -0.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 358 66.522 1.565 -1.271 1.00 0.00 H new ATOM 458 N CYS A 359 73.778 3.620 -1.806 1.00 0.00 N ATOM 459 CA CYS A 359 74.104 4.850 -2.509 1.00 0.00 C ATOM 460 C CYS A 359 73.021 5.137 -3.532 1.00 0.00 C ATOM 461 O CYS A 359 72.705 4.279 -4.358 1.00 0.00 O ATOM 462 CB CYS A 359 75.485 4.741 -3.188 1.00 0.00 C ATOM 463 SG CYS A 359 75.472 4.779 -5.020 1.00 0.00 S ATOM 0 H CYS A 359 74.022 2.770 -2.313 1.00 0.00 H new ATOM 0 HA CYS A 359 74.153 5.673 -1.796 1.00 0.00 H new ATOM 0 HB2 CYS A 359 76.111 5.558 -2.830 1.00 0.00 H new ATOM 0 HB3 CYS A 359 75.956 3.813 -2.865 1.00 0.00 H new ATOM 0 HG CYS A 359 76.162 5.799 -5.438 1.00 0.00 H new ATOM 468 N LYS A 360 72.459 6.337 -3.485 1.00 0.00 N ATOM 469 CA LYS A 360 71.446 6.721 -4.396 1.00 0.00 C ATOM 470 C LYS A 360 72.077 7.222 -5.669 1.00 0.00 C ATOM 471 O LYS A 360 73.287 7.122 -5.871 1.00 0.00 O ATOM 472 CB LYS A 360 70.575 7.798 -3.754 1.00 0.00 C ATOM 473 CG LYS A 360 69.202 7.310 -3.304 1.00 0.00 C ATOM 474 CD LYS A 360 69.254 5.905 -2.717 1.00 0.00 C ATOM 475 CE LYS A 360 68.659 5.857 -1.319 1.00 0.00 C ATOM 476 NZ LYS A 360 67.373 6.605 -1.236 1.00 0.00 N ATOM 0 H LYS A 360 72.708 7.056 -2.806 1.00 0.00 H new ATOM 0 HA LYS A 360 70.817 5.865 -4.641 1.00 0.00 H new ATOM 0 HB2 LYS A 360 71.102 8.209 -2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 360 70.443 8.613 -4.465 1.00 0.00 H new ATOM 0 HG2 LYS A 360 68.800 7.998 -2.560 1.00 0.00 H new ATOM 0 HG3 LYS A 360 68.518 7.322 -4.153 1.00 0.00 H new ATOM 0 HD2 LYS A 360 68.711 5.219 -3.367 1.00 0.00 H new ATOM 0 HD3 LYS A 360 70.288 5.562 -2.684 1.00 0.00 H new ATOM 0 HE2 LYS A 360 68.494 4.819 -1.030 1.00 0.00 H new ATOM 0 HE3 LYS A 360 69.370 6.277 -0.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 360 66.758 6.161 -0.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 360 67.562 7.591 -0.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 360 66.900 6.586 -2.162 1.00 0.00 H new ATOM 490 N HIS A 361 71.240 7.745 -6.517 1.00 0.00 N ATOM 491 CA HIS A 361 71.658 8.269 -7.816 1.00 0.00 C ATOM 492 C HIS A 361 72.155 7.141 -8.728 1.00 0.00 C ATOM 493 O HIS A 361 71.956 7.179 -9.943 1.00 0.00 O ATOM 494 CB HIS A 361 72.753 9.325 -7.642 1.00 0.00 C ATOM 495 CG HIS A 361 72.245 10.731 -7.720 1.00 0.00 C ATOM 496 ND1 HIS A 361 72.270 11.602 -6.651 1.00 0.00 N ATOM 497 CD2 HIS A 361 71.696 11.419 -8.749 1.00 0.00 C ATOM 498 CE1 HIS A 361 71.758 12.763 -7.018 1.00 0.00 C ATOM 499 NE2 HIS A 361 71.403 12.679 -8.287 1.00 0.00 N ATOM 0 H HIS A 361 70.239 7.828 -6.340 1.00 0.00 H new ATOM 0 HA HIS A 361 70.791 8.734 -8.285 1.00 0.00 H new ATOM 0 HB2 HIS A 361 73.240 9.176 -6.678 1.00 0.00 H new ATOM 0 HB3 HIS A 361 73.513 9.179 -8.410 1.00 0.00 H new ATOM 0 HD2 HIS A 361 71.521 11.046 -9.747 1.00 0.00 H new ATOM 0 HE1 HIS A 361 71.648 13.633 -6.387 1.00 0.00 H new ATOM 0 HE2 HIS A 361 70.980 13.428 -8.835 1.00 0.00 H new ATOM 508 N CYS A 362 72.804 6.142 -8.132 1.00 0.00 N ATOM 509 CA CYS A 362 73.334 5.003 -8.873 1.00 0.00 C ATOM 510 C CYS A 362 72.734 3.697 -8.356 1.00 0.00 C ATOM 511 O CYS A 362 72.429 2.793 -9.132 1.00 0.00 O ATOM 512 CB CYS A 362 74.864 4.940 -8.748 1.00 0.00 C ATOM 513 SG CYS A 362 75.663 6.516 -8.293 1.00 0.00 S ATOM 0 H CYS A 362 72.976 6.101 -7.127 1.00 0.00 H new ATOM 0 HA CYS A 362 73.063 5.133 -9.921 1.00 0.00 H new ATOM 0 HB2 CYS A 362 75.122 4.189 -8.001 1.00 0.00 H new ATOM 0 HB3 CYS A 362 75.278 4.600 -9.697 1.00 0.00 H new ATOM 0 HG CYS A 362 75.030 7.050 -7.290 1.00 0.00 H new ATOM 518 N ARG A 363 72.584 3.608 -7.034 1.00 0.00 N ATOM 519 CA ARG A 363 72.039 2.418 -6.385 1.00 0.00 C ATOM 520 C ARG A 363 73.127 1.349 -6.239 1.00 0.00 C ATOM 521 O ARG A 363 73.465 0.644 -7.189 1.00 0.00 O ATOM 522 CB ARG A 363 70.796 1.897 -7.145 1.00 0.00 C ATOM 523 CG ARG A 363 71.014 0.656 -8.004 1.00 0.00 C ATOM 524 CD ARG A 363 71.071 -0.607 -7.159 1.00 0.00 C ATOM 525 NE ARG A 363 72.105 -1.530 -7.623 1.00 0.00 N ATOM 526 CZ ARG A 363 72.188 -2.802 -7.242 1.00 0.00 C ATOM 527 NH1 ARG A 363 71.303 -3.307 -6.391 1.00 0.00 N ATOM 528 NH2 ARG A 363 73.160 -3.572 -7.712 1.00 0.00 N ATOM 0 H ARG A 363 72.836 4.355 -6.387 1.00 0.00 H new ATOM 0 HA ARG A 363 71.705 2.681 -5.381 1.00 0.00 H new ATOM 0 HB2 ARG A 363 70.014 1.679 -6.418 1.00 0.00 H new ATOM 0 HB3 ARG A 363 70.423 2.697 -7.784 1.00 0.00 H new ATOM 0 HG2 ARG A 363 70.208 0.571 -8.733 1.00 0.00 H new ATOM 0 HG3 ARG A 363 71.942 0.760 -8.566 1.00 0.00 H new ATOM 0 HD2 ARG A 363 71.263 -0.340 -6.120 1.00 0.00 H new ATOM 0 HD3 ARG A 363 70.102 -1.105 -7.186 1.00 0.00 H new ATOM 0 HE ARG A 363 72.804 -1.178 -8.277 1.00 0.00 H new ATOM 0 HH11 ARG A 363 70.554 -2.719 -6.025 1.00 0.00 H new ATOM 0 HH12 ARG A 363 71.372 -4.283 -6.103 1.00 0.00 H new ATOM 0 HH21 ARG A 363 73.843 -3.189 -8.365 1.00 0.00 H new ATOM 0 HH22 ARG A 363 73.224 -4.547 -7.420 1.00 0.00 H new ATOM 542 N LEU A 364 73.696 1.255 -5.040 1.00 0.00 N ATOM 543 CA LEU A 364 74.763 0.287 -4.781 1.00 0.00 C ATOM 544 C LEU A 364 74.814 -0.116 -3.307 1.00 0.00 C ATOM 545 O LEU A 364 74.144 0.482 -2.466 1.00 0.00 O ATOM 546 CB LEU A 364 76.114 0.870 -5.205 1.00 0.00 C ATOM 547 CG LEU A 364 77.117 -0.139 -5.772 1.00 0.00 C ATOM 548 CD1 LEU A 364 76.482 -0.958 -6.886 1.00 0.00 C ATOM 549 CD2 LEU A 364 78.360 0.577 -6.279 1.00 0.00 C ATOM 0 H LEU A 364 73.441 1.831 -4.238 1.00 0.00 H new ATOM 0 HA LEU A 364 74.549 -0.607 -5.367 1.00 0.00 H new ATOM 0 HB2 LEU A 364 75.938 1.642 -5.954 1.00 0.00 H new ATOM 0 HB3 LEU A 364 76.566 1.360 -4.342 1.00 0.00 H new ATOM 0 HG LEU A 364 77.411 -0.819 -4.972 1.00 0.00 H new ATOM 0 HD11 LEU A 364 77.211 -1.669 -7.276 1.00 0.00 H new ATOM 0 HD12 LEU A 364 75.621 -1.499 -6.494 1.00 0.00 H new ATOM 0 HD13 LEU A 364 76.159 -0.293 -7.687 1.00 0.00 H new ATOM 0 HD21 LEU A 364 79.063 -0.154 -6.679 1.00 0.00 H new ATOM 0 HD22 LEU A 364 78.081 1.279 -7.064 1.00 0.00 H new ATOM 0 HD23 LEU A 364 78.828 1.119 -5.457 1.00 0.00 H new ATOM 561 N LYS A 365 75.621 -1.133 -3.004 1.00 0.00 N ATOM 562 CA LYS A 365 75.770 -1.616 -1.635 1.00 0.00 C ATOM 563 C LYS A 365 77.247 -1.714 -1.259 1.00 0.00 C ATOM 564 O LYS A 365 78.050 -2.275 -2.005 1.00 0.00 O ATOM 565 CB LYS A 365 75.099 -2.982 -1.476 1.00 0.00 C ATOM 566 CG LYS A 365 75.197 -3.550 -0.070 1.00 0.00 C ATOM 567 CD LYS A 365 74.039 -3.087 0.800 1.00 0.00 C ATOM 568 CE LYS A 365 73.561 -4.193 1.726 1.00 0.00 C ATOM 569 NZ LYS A 365 72.647 -5.142 1.034 1.00 0.00 N ATOM 0 H LYS A 365 76.181 -1.638 -3.691 1.00 0.00 H new ATOM 0 HA LYS A 365 75.285 -0.904 -0.967 1.00 0.00 H new ATOM 0 HB2 LYS A 365 74.048 -2.895 -1.751 1.00 0.00 H new ATOM 0 HB3 LYS A 365 75.554 -3.684 -2.175 1.00 0.00 H new ATOM 0 HG2 LYS A 365 75.206 -4.639 -0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 365 76.139 -3.242 0.383 1.00 0.00 H new ATOM 0 HD2 LYS A 365 74.348 -2.225 1.391 1.00 0.00 H new ATOM 0 HD3 LYS A 365 73.215 -2.760 0.166 1.00 0.00 H new ATOM 0 HE2 LYS A 365 74.421 -4.737 2.116 1.00 0.00 H new ATOM 0 HE3 LYS A 365 73.048 -3.753 2.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 72.344 -5.881 1.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 71.813 -4.628 0.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 73.144 -5.581 0.233 1.00 0.00 H new ATOM 583 N CYS A 366 77.603 -1.159 -0.102 1.00 0.00 N ATOM 584 CA CYS A 366 78.989 -1.179 0.365 1.00 0.00 C ATOM 585 C CYS A 366 79.060 -1.126 1.890 1.00 0.00 C ATOM 586 O CYS A 366 78.107 -0.729 2.554 1.00 0.00 O ATOM 587 CB CYS A 366 79.793 -0.008 -0.221 1.00 0.00 C ATOM 588 SG CYS A 366 79.208 0.600 -1.823 1.00 0.00 S ATOM 0 H CYS A 366 76.953 -0.691 0.529 1.00 0.00 H new ATOM 0 HA CYS A 366 79.426 -2.116 0.021 1.00 0.00 H new ATOM 0 HB2 CYS A 366 79.776 0.817 0.491 1.00 0.00 H new ATOM 0 HB3 CYS A 366 80.833 -0.318 -0.325 1.00 0.00 H new ATOM 0 HG CYS A 366 79.809 -0.046 -2.778 1.00 0.00 H new ATOM 594 N HIS A 367 80.206 -1.528 2.433 1.00 0.00 N ATOM 595 CA HIS A 367 80.430 -1.526 3.880 1.00 0.00 C ATOM 596 C HIS A 367 80.004 -0.201 4.503 1.00 0.00 C ATOM 597 O HIS A 367 79.633 0.735 3.797 1.00 0.00 O ATOM 598 CB HIS A 367 81.914 -1.755 4.167 1.00 0.00 C ATOM 599 CG HIS A 367 82.200 -2.974 4.980 1.00 0.00 C ATOM 600 ND1 HIS A 367 82.950 -3.997 4.467 1.00 0.00 N ATOM 601 CD2 HIS A 367 81.837 -3.278 6.248 1.00 0.00 C ATOM 602 CE1 HIS A 367 83.033 -4.903 5.425 1.00 0.00 C ATOM 603 NE2 HIS A 367 82.371 -4.510 6.525 1.00 0.00 N ATOM 0 H HIS A 367 81.002 -1.862 1.889 1.00 0.00 H new ATOM 0 HA HIS A 367 79.831 -2.325 4.316 1.00 0.00 H new ATOM 0 HB2 HIS A 367 82.448 -1.830 3.220 1.00 0.00 H new ATOM 0 HB3 HIS A 367 82.310 -0.883 4.688 1.00 0.00 H new ATOM 0 HD2 HIS A 367 81.242 -2.669 6.912 1.00 0.00 H new ATOM 0 HE1 HIS A 367 83.565 -5.839 5.335 1.00 0.00 H new ATOM 0 HE2 HIS A 367 82.282 -5.028 7.399 1.00 0.00 H new ATOM 611 N ASN A 368 80.092 -0.111 5.828 1.00 0.00 N ATOM 612 CA ASN A 368 79.742 1.122 6.525 1.00 0.00 C ATOM 613 C ASN A 368 80.456 2.303 5.874 1.00 0.00 C ATOM 614 O ASN A 368 79.970 3.433 5.894 1.00 0.00 O ATOM 615 CB ASN A 368 80.122 1.028 8.004 1.00 0.00 C ATOM 616 CG ASN A 368 81.610 0.816 8.207 1.00 0.00 C ATOM 617 OD1 ASN A 368 82.429 1.626 7.774 1.00 0.00 O ATOM 618 ND2 ASN A 368 81.967 -0.279 8.868 1.00 0.00 N ATOM 0 H ASN A 368 80.400 -0.870 6.435 1.00 0.00 H new ATOM 0 HA ASN A 368 78.665 1.271 6.455 1.00 0.00 H new ATOM 0 HB2 ASN A 368 79.815 1.941 8.514 1.00 0.00 H new ATOM 0 HB3 ASN A 368 79.575 0.206 8.465 1.00 0.00 H new ATOM 0 HD21 ASN A 368 82.954 -0.475 9.034 1.00 0.00 H new ATOM 0 HD22 ASN A 368 81.254 -0.924 9.210 1.00 0.00 H new ATOM 625 N LYS A 369 81.611 2.014 5.278 1.00 0.00 N ATOM 626 CA LYS A 369 82.406 3.021 4.594 1.00 0.00 C ATOM 627 C LYS A 369 83.077 2.413 3.364 1.00 0.00 C ATOM 628 O LYS A 369 82.600 2.583 2.242 1.00 0.00 O ATOM 629 CB LYS A 369 83.458 3.607 5.539 1.00 0.00 C ATOM 630 CG LYS A 369 83.003 4.873 6.247 1.00 0.00 C ATOM 631 CD LYS A 369 82.548 5.933 5.256 1.00 0.00 C ATOM 632 CE LYS A 369 82.966 7.326 5.698 1.00 0.00 C ATOM 633 NZ LYS A 369 81.934 8.347 5.367 1.00 0.00 N ATOM 0 H LYS A 369 82.017 1.079 5.258 1.00 0.00 H new ATOM 0 HA LYS A 369 81.746 3.827 4.272 1.00 0.00 H new ATOM 0 HB2 LYS A 369 83.721 2.858 6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 369 84.363 3.823 4.972 1.00 0.00 H new ATOM 0 HG2 LYS A 369 82.186 4.636 6.929 1.00 0.00 H new ATOM 0 HG3 LYS A 369 83.820 5.266 6.852 1.00 0.00 H new ATOM 0 HD2 LYS A 369 82.971 5.720 4.274 1.00 0.00 H new ATOM 0 HD3 LYS A 369 81.464 5.893 5.152 1.00 0.00 H new ATOM 0 HE2 LYS A 369 83.146 7.327 6.773 1.00 0.00 H new ATOM 0 HE3 LYS A 369 83.907 7.592 5.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 369 82.257 9.283 5.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 369 81.780 8.364 4.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 369 81.043 8.108 5.846 1.00 0.00 H new ATOM 647 N CYS A 370 84.181 1.694 3.588 1.00 0.00 N ATOM 648 CA CYS A 370 84.928 1.041 2.507 1.00 0.00 C ATOM 649 C CYS A 370 84.955 1.897 1.240 1.00 0.00 C ATOM 650 O CYS A 370 84.964 1.376 0.125 1.00 0.00 O ATOM 651 CB CYS A 370 84.317 -0.327 2.197 1.00 0.00 C ATOM 652 SG CYS A 370 85.061 -1.708 3.133 1.00 0.00 S ATOM 0 H CYS A 370 84.580 1.548 4.515 1.00 0.00 H new ATOM 0 HA CYS A 370 85.956 0.913 2.847 1.00 0.00 H new ATOM 0 HB2 CYS A 370 83.249 -0.292 2.410 1.00 0.00 H new ATOM 0 HB3 CYS A 370 84.423 -0.527 1.131 1.00 0.00 H new ATOM 0 HG CYS A 370 84.802 -2.830 2.530 1.00 0.00 H new ATOM 657 N THR A 371 84.963 3.211 1.426 1.00 0.00 N ATOM 658 CA THR A 371 84.983 4.147 0.306 1.00 0.00 C ATOM 659 C THR A 371 86.183 3.895 -0.601 1.00 0.00 C ATOM 660 O THR A 371 86.114 4.108 -1.811 1.00 0.00 O ATOM 661 CB THR A 371 85.013 5.587 0.820 1.00 0.00 C ATOM 662 OG1 THR A 371 85.921 5.716 1.900 1.00 0.00 O ATOM 663 CG2 THR A 371 83.664 6.082 1.295 1.00 0.00 C ATOM 0 H THR A 371 84.956 3.655 2.344 1.00 0.00 H new ATOM 0 HA THR A 371 84.075 3.992 -0.277 1.00 0.00 H new ATOM 0 HB THR A 371 85.324 6.190 -0.033 1.00 0.00 H new ATOM 0 HG1 THR A 371 85.927 6.645 2.213 1.00 0.00 H new ATOM 0 HG21 THR A 371 83.757 7.110 1.646 1.00 0.00 H new ATOM 0 HG22 THR A 371 82.951 6.043 0.471 1.00 0.00 H new ATOM 0 HG23 THR A 371 83.311 5.450 2.110 1.00 0.00 H new ATOM 671 N LYS A 372 87.280 3.439 -0.008 1.00 0.00 N ATOM 672 CA LYS A 372 88.495 3.158 -0.764 1.00 0.00 C ATOM 673 C LYS A 372 88.269 2.032 -1.771 1.00 0.00 C ATOM 674 O LYS A 372 89.037 1.876 -2.720 1.00 0.00 O ATOM 675 CB LYS A 372 89.635 2.786 0.185 1.00 0.00 C ATOM 676 CG LYS A 372 89.306 1.622 1.105 1.00 0.00 C ATOM 677 CD LYS A 372 89.924 1.806 2.481 1.00 0.00 C ATOM 678 CE LYS A 372 91.441 1.871 2.406 1.00 0.00 C ATOM 679 NZ LYS A 372 92.005 2.843 3.384 1.00 0.00 N ATOM 0 H LYS A 372 87.353 3.256 0.993 1.00 0.00 H new ATOM 0 HA LYS A 372 88.765 4.060 -1.313 1.00 0.00 H new ATOM 0 HB2 LYS A 372 90.518 2.535 -0.402 1.00 0.00 H new ATOM 0 HB3 LYS A 372 89.891 3.656 0.790 1.00 0.00 H new ATOM 0 HG2 LYS A 372 88.224 1.527 1.201 1.00 0.00 H new ATOM 0 HG3 LYS A 372 89.669 0.694 0.663 1.00 0.00 H new ATOM 0 HD2 LYS A 372 89.541 2.721 2.933 1.00 0.00 H new ATOM 0 HD3 LYS A 372 89.626 0.981 3.128 1.00 0.00 H new ATOM 0 HE2 LYS A 372 91.857 0.882 2.597 1.00 0.00 H new ATOM 0 HE3 LYS A 372 91.743 2.154 1.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 372 93.042 2.857 3.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 372 91.629 3.792 3.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 372 91.739 2.559 4.348 1.00 0.00 H new ATOM 693 N GLU A 373 87.215 1.248 -1.558 1.00 0.00 N ATOM 694 CA GLU A 373 86.899 0.138 -2.449 1.00 0.00 C ATOM 695 C GLU A 373 85.695 0.463 -3.331 1.00 0.00 C ATOM 696 O GLU A 373 85.819 0.554 -4.552 1.00 0.00 O ATOM 697 CB GLU A 373 86.626 -1.129 -1.639 1.00 0.00 C ATOM 698 CG GLU A 373 87.725 -1.465 -0.645 1.00 0.00 C ATOM 699 CD GLU A 373 88.025 -2.950 -0.585 1.00 0.00 C ATOM 700 OE1 GLU A 373 88.518 -3.497 -1.594 1.00 0.00 O ATOM 701 OE2 GLU A 373 87.765 -3.566 0.470 1.00 0.00 O ATOM 0 H GLU A 373 86.568 1.361 -0.778 1.00 0.00 H new ATOM 0 HA GLU A 373 87.760 -0.029 -3.096 1.00 0.00 H new ATOM 0 HB2 GLU A 373 85.685 -1.011 -1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 373 86.498 -1.967 -2.324 1.00 0.00 H new ATOM 0 HG2 GLU A 373 88.632 -0.926 -0.917 1.00 0.00 H new ATOM 0 HG3 GLU A 373 87.432 -1.117 0.346 1.00 0.00 H new ATOM 708 N ALA A 374 84.532 0.633 -2.703 1.00 0.00 N ATOM 709 CA ALA A 374 83.298 0.943 -3.426 1.00 0.00 C ATOM 710 C ALA A 374 83.527 2.007 -4.502 1.00 0.00 C ATOM 711 O ALA A 374 83.589 3.199 -4.203 1.00 0.00 O ATOM 712 CB ALA A 374 82.222 1.404 -2.454 1.00 0.00 C ATOM 0 H ALA A 374 84.418 0.561 -1.692 1.00 0.00 H new ATOM 0 HA ALA A 374 82.967 0.032 -3.924 1.00 0.00 H new ATOM 0 HB1 ALA A 374 81.309 1.632 -3.004 1.00 0.00 H new ATOM 0 HB2 ALA A 374 82.023 0.614 -1.730 1.00 0.00 H new ATOM 0 HB3 ALA A 374 82.563 2.297 -1.931 1.00 0.00 H new ATOM 718 N PRO A 375 83.668 1.585 -5.772 1.00 0.00 N ATOM 719 CA PRO A 375 83.902 2.487 -6.889 1.00 0.00 C ATOM 720 C PRO A 375 82.618 2.874 -7.619 1.00 0.00 C ATOM 721 O PRO A 375 81.583 2.226 -7.464 1.00 0.00 O ATOM 722 CB PRO A 375 84.789 1.637 -7.791 1.00 0.00 C ATOM 723 CG PRO A 375 84.318 0.230 -7.577 1.00 0.00 C ATOM 724 CD PRO A 375 83.625 0.186 -6.230 1.00 0.00 C ATOM 0 HA PRO A 375 84.334 3.438 -6.578 1.00 0.00 H new ATOM 0 HB2 PRO A 375 84.690 1.933 -8.835 1.00 0.00 H new ATOM 0 HB3 PRO A 375 85.841 1.746 -7.528 1.00 0.00 H new ATOM 0 HG2 PRO A 375 83.634 -0.071 -8.371 1.00 0.00 H new ATOM 0 HG3 PRO A 375 85.158 -0.464 -7.600 1.00 0.00 H new ATOM 0 HD2 PRO A 375 82.601 -0.176 -6.318 1.00 0.00 H new ATOM 0 HD3 PRO A 375 84.139 -0.479 -5.536 1.00 0.00 H new ATOM 732 N ALA A 376 82.701 3.928 -8.425 1.00 0.00 N ATOM 733 CA ALA A 376 81.557 4.402 -9.196 1.00 0.00 C ATOM 734 C ALA A 376 80.384 4.779 -8.297 1.00 0.00 C ATOM 735 O ALA A 376 79.786 3.924 -7.644 1.00 0.00 O ATOM 736 CB ALA A 376 81.129 3.345 -10.202 1.00 0.00 C ATOM 0 H ALA A 376 83.553 4.472 -8.561 1.00 0.00 H new ATOM 0 HA ALA A 376 81.867 5.302 -9.727 1.00 0.00 H new ATOM 0 HB1 ALA A 376 80.274 3.710 -10.772 1.00 0.00 H new ATOM 0 HB2 ALA A 376 81.955 3.134 -10.882 1.00 0.00 H new ATOM 0 HB3 ALA A 376 80.851 2.432 -9.675 1.00 0.00 H new ATOM 742 N CYS A 377 80.054 6.067 -8.277 1.00 0.00 N ATOM 743 CA CYS A 377 78.947 6.565 -7.471 1.00 0.00 C ATOM 744 C CYS A 377 78.483 7.929 -7.973 1.00 0.00 C ATOM 745 O CYS A 377 78.390 8.888 -7.206 1.00 0.00 O ATOM 746 CB CYS A 377 79.357 6.660 -6.003 1.00 0.00 C ATOM 747 SG CYS A 377 77.961 6.549 -4.835 1.00 0.00 S ATOM 0 H CYS A 377 80.540 6.786 -8.812 1.00 0.00 H new ATOM 0 HA CYS A 377 78.119 5.862 -7.561 1.00 0.00 H new ATOM 0 HB2 CYS A 377 80.067 5.863 -5.782 1.00 0.00 H new ATOM 0 HB3 CYS A 377 79.878 7.604 -5.842 1.00 0.00 H new ATOM 0 HG CYS A 377 77.488 5.338 -4.838 1.00 0.00 H new