USER MOD reduce.3.24.130724 H: found=0, std=0, add=333, rem=0, adj=15 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 346 CYS SG : rot 162:sc= -4.71! USER MOD Set 1.2: A 349 CYS SG : rot -41:sc= 0.832 USER MOD Set 1.3: A 367 HIS : no HD1:sc= -9.69! C(o=-15!,f=-31!) USER MOD Set 1.4: A 368 ASN : amide:sc= -0.0959 K(o=-15,f=-21!) USER MOD Set 1.5: A 370 CYS SG : rot -160:sc= -1.32 USER MOD Set 2.1: A 337 SER OG : rot 27:sc= 0.207 USER MOD Set 2.2: A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 344 GLN : amide:sc= -0.628 K(o=-1.7,f=-4.3) USER MOD Set 3.2: A 347 ASN : amide:sc= -1.07 K(o=-1.7,f=-5.2!) USER MOD Set 4.1: A 334 HIS : no HD1:sc= -5.4! C(o=-22!,f=-26!) USER MOD Set 4.2: A 359 CYS SG : rot -150:sc= -6.83! USER MOD Set 4.3: A 362 CYS SG : rot 123:sc= -1.96 USER MOD Set 4.4: A 377 CYS SG : rot -159:sc= -7.56! USER MOD Single : A 338 THR OG1 : rot 180:sc= -0.162 USER MOD Single : A 339 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 340 SER OG : rot 180:sc= -0.416 USER MOD Single : A 350 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.33) USER MOD Single : A 351 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 352 SER OG : rot 180:sc= 0 USER MOD Single : A 353 MET CE :methyl 149:sc= -4.9! (180deg=-8.59!) USER MOD Single : A 360 LYS NZ :NH3+ -175:sc= -1.48 (180deg=-1.64) USER MOD Single : A 361 HIS : no HD1:sc= -0.682 K(o=-0.68,f=-1.9) USER MOD Single : A 365 LYS NZ :NH3+ -160:sc= -0.0153 (180deg=-0.16) USER MOD Single : A 366 CYS SG : rot -79:sc= -3.61 USER MOD Single : A 369 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 371 THR OG1 : rot 180:sc= 0 USER MOD Single : A 372 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 51 N HIS A 334 75.694 0.237 -10.819 1.00 0.00 N ATOM 52 CA HIS A 334 75.967 -1.087 -10.269 1.00 0.00 C ATOM 53 C HIS A 334 74.841 -1.522 -9.336 1.00 0.00 C ATOM 54 O HIS A 334 74.084 -0.690 -8.836 1.00 0.00 O ATOM 55 CB HIS A 334 77.306 -1.089 -9.522 1.00 0.00 C ATOM 56 CG HIS A 334 78.385 -0.321 -10.225 1.00 0.00 C ATOM 57 ND1 HIS A 334 79.568 -0.004 -9.599 1.00 0.00 N ATOM 58 CD2 HIS A 334 78.404 0.177 -11.486 1.00 0.00 C ATOM 59 CE1 HIS A 334 80.272 0.677 -10.488 1.00 0.00 C ATOM 60 NE2 HIS A 334 79.608 0.811 -11.645 1.00 0.00 N ATOM 0 HA HIS A 334 76.026 -1.797 -11.094 1.00 0.00 H new ATOM 0 HB2 HIS A 334 77.159 -0.666 -8.528 1.00 0.00 H new ATOM 0 HB3 HIS A 334 77.635 -2.119 -9.385 1.00 0.00 H new ATOM 0 HD2 HIS A 334 77.620 0.090 -12.224 1.00 0.00 H new ATOM 0 HE1 HIS A 334 81.259 1.076 -10.305 1.00 0.00 H new ATOM 0 HE2 HIS A 334 79.936 1.292 -12.482 1.00 0.00 H new ATOM 68 N ARG A 335 74.729 -2.827 -9.110 1.00 0.00 N ATOM 69 CA ARG A 335 73.686 -3.359 -8.240 1.00 0.00 C ATOM 70 C ARG A 335 74.199 -3.538 -6.817 1.00 0.00 C ATOM 71 O ARG A 335 75.115 -4.320 -6.564 1.00 0.00 O ATOM 72 CB ARG A 335 73.163 -4.689 -8.788 1.00 0.00 C ATOM 73 CG ARG A 335 72.281 -5.456 -7.814 1.00 0.00 C ATOM 74 CD ARG A 335 71.704 -6.709 -8.453 1.00 0.00 C ATOM 75 NE ARG A 335 70.393 -6.464 -9.051 1.00 0.00 N ATOM 76 CZ ARG A 335 69.573 -7.430 -9.458 1.00 0.00 C ATOM 77 NH1 ARG A 335 69.922 -8.704 -9.333 1.00 0.00 N ATOM 78 NH2 ARG A 335 68.399 -7.121 -9.991 1.00 0.00 N ATOM 0 H ARG A 335 75.344 -3.533 -9.515 1.00 0.00 H new ATOM 0 HA ARG A 335 72.866 -2.641 -8.217 1.00 0.00 H new ATOM 0 HB2 ARG A 335 72.598 -4.497 -9.700 1.00 0.00 H new ATOM 0 HB3 ARG A 335 74.011 -5.315 -9.064 1.00 0.00 H new ATOM 0 HG2 ARG A 335 72.862 -5.730 -6.933 1.00 0.00 H new ATOM 0 HG3 ARG A 335 71.469 -4.813 -7.473 1.00 0.00 H new ATOM 0 HD2 ARG A 335 72.389 -7.074 -9.218 1.00 0.00 H new ATOM 0 HD3 ARG A 335 71.619 -7.493 -7.701 1.00 0.00 H new ATOM 0 HE ARG A 335 70.089 -5.497 -9.163 1.00 0.00 H new ATOM 0 HH11 ARG A 335 70.824 -8.948 -8.923 1.00 0.00 H new ATOM 0 HH12 ARG A 335 69.289 -9.439 -9.647 1.00 0.00 H new ATOM 0 HH21 ARG A 335 68.125 -6.143 -10.089 1.00 0.00 H new ATOM 0 HH22 ARG A 335 67.770 -7.861 -10.303 1.00 0.00 H new ATOM 92 N PHE A 336 73.597 -2.799 -5.896 1.00 0.00 N ATOM 93 CA PHE A 336 73.963 -2.842 -4.504 1.00 0.00 C ATOM 94 C PHE A 336 72.929 -3.628 -3.692 1.00 0.00 C ATOM 95 O PHE A 336 71.779 -3.766 -4.109 1.00 0.00 O ATOM 96 CB PHE A 336 74.033 -1.407 -3.998 1.00 0.00 C ATOM 97 CG PHE A 336 75.424 -0.879 -3.787 1.00 0.00 C ATOM 98 CD1 PHE A 336 76.307 -1.527 -2.941 1.00 0.00 C ATOM 99 CD2 PHE A 336 75.842 0.276 -4.430 1.00 0.00 C ATOM 100 CE1 PHE A 336 77.585 -1.035 -2.741 1.00 0.00 C ATOM 101 CE2 PHE A 336 77.116 0.773 -4.233 1.00 0.00 C ATOM 102 CZ PHE A 336 77.989 0.117 -3.388 1.00 0.00 C ATOM 0 H PHE A 336 72.837 -2.151 -6.104 1.00 0.00 H new ATOM 0 HA PHE A 336 74.925 -3.342 -4.390 1.00 0.00 H new ATOM 0 HB2 PHE A 336 73.518 -0.761 -4.709 1.00 0.00 H new ATOM 0 HB3 PHE A 336 73.488 -1.342 -3.056 1.00 0.00 H new ATOM 0 HD1 PHE A 336 75.995 -2.427 -2.431 1.00 0.00 H new ATOM 0 HD2 PHE A 336 75.164 0.793 -5.093 1.00 0.00 H new ATOM 0 HE1 PHE A 336 78.266 -1.551 -2.080 1.00 0.00 H new ATOM 0 HE2 PHE A 336 77.429 1.674 -4.740 1.00 0.00 H new ATOM 0 HZ PHE A 336 78.985 0.504 -3.233 1.00 0.00 H new ATOM 112 N SER A 337 73.338 -4.125 -2.528 1.00 0.00 N ATOM 113 CA SER A 337 72.433 -4.878 -1.658 1.00 0.00 C ATOM 114 C SER A 337 72.740 -4.593 -0.189 1.00 0.00 C ATOM 115 O SER A 337 73.885 -4.701 0.241 1.00 0.00 O ATOM 116 CB SER A 337 72.553 -6.377 -1.936 1.00 0.00 C ATOM 117 OG SER A 337 73.850 -6.853 -1.621 1.00 0.00 O ATOM 0 H SER A 337 74.285 -4.022 -2.165 1.00 0.00 H new ATOM 0 HA SER A 337 71.412 -4.560 -1.869 1.00 0.00 H new ATOM 0 HB2 SER A 337 71.811 -6.919 -1.350 1.00 0.00 H new ATOM 0 HB3 SER A 337 72.335 -6.574 -2.986 1.00 0.00 H new ATOM 0 HG SER A 337 74.244 -6.290 -0.922 1.00 0.00 H new ATOM 123 N THR A 338 71.714 -4.228 0.580 1.00 0.00 N ATOM 124 CA THR A 338 71.899 -3.922 1.998 1.00 0.00 C ATOM 125 C THR A 338 71.944 -5.183 2.850 1.00 0.00 C ATOM 126 O THR A 338 71.229 -6.153 2.598 1.00 0.00 O ATOM 127 CB THR A 338 70.789 -2.999 2.512 1.00 0.00 C ATOM 128 OG1 THR A 338 70.791 -1.771 1.806 1.00 0.00 O ATOM 129 CG2 THR A 338 70.911 -2.680 3.994 1.00 0.00 C ATOM 0 H THR A 338 70.754 -4.138 0.248 1.00 0.00 H new ATOM 0 HA THR A 338 72.859 -3.413 2.085 1.00 0.00 H new ATOM 0 HB THR A 338 69.860 -3.546 2.350 1.00 0.00 H new ATOM 0 HG1 THR A 338 70.074 -1.196 2.147 1.00 0.00 H new ATOM 0 HG21 THR A 338 70.095 -2.023 4.293 1.00 0.00 H new ATOM 0 HG22 THR A 338 70.863 -3.604 4.570 1.00 0.00 H new ATOM 0 HG23 THR A 338 71.863 -2.184 4.182 1.00 0.00 H new ATOM 137 N LYS A 339 72.791 -5.142 3.869 1.00 0.00 N ATOM 138 CA LYS A 339 72.956 -6.250 4.792 1.00 0.00 C ATOM 139 C LYS A 339 73.142 -5.717 6.209 1.00 0.00 C ATOM 140 O LYS A 339 73.770 -4.671 6.412 1.00 0.00 O ATOM 141 CB LYS A 339 74.157 -7.109 4.389 1.00 0.00 C ATOM 142 CG LYS A 339 74.130 -8.508 4.983 1.00 0.00 C ATOM 143 CD LYS A 339 75.190 -9.399 4.355 1.00 0.00 C ATOM 144 CE LYS A 339 76.591 -8.956 4.743 1.00 0.00 C ATOM 145 NZ LYS A 339 77.567 -9.169 3.638 1.00 0.00 N ATOM 0 H LYS A 339 73.383 -4.338 4.077 1.00 0.00 H new ATOM 0 HA LYS A 339 72.062 -6.872 4.758 1.00 0.00 H new ATOM 0 HB2 LYS A 339 74.190 -7.185 3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 339 75.073 -6.608 4.702 1.00 0.00 H new ATOM 0 HG2 LYS A 339 74.292 -8.451 6.059 1.00 0.00 H new ATOM 0 HG3 LYS A 339 73.145 -8.950 4.832 1.00 0.00 H new ATOM 0 HD2 LYS A 339 75.033 -10.431 4.670 1.00 0.00 H new ATOM 0 HD3 LYS A 339 75.088 -9.378 3.270 1.00 0.00 H new ATOM 0 HE2 LYS A 339 76.576 -7.901 5.015 1.00 0.00 H new ATOM 0 HE3 LYS A 339 76.915 -9.508 5.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 78.510 -8.854 3.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 77.601 -10.180 3.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 77.272 -8.622 2.804 1.00 0.00 H new ATOM 159 N SER A 340 72.583 -6.434 7.179 1.00 0.00 N ATOM 160 CA SER A 340 72.670 -6.036 8.578 1.00 0.00 C ATOM 161 C SER A 340 72.845 -7.257 9.480 1.00 0.00 C ATOM 162 O SER A 340 73.191 -8.341 9.009 1.00 0.00 O ATOM 163 CB SER A 340 71.410 -5.261 8.976 1.00 0.00 C ATOM 164 OG SER A 340 71.450 -4.870 10.337 1.00 0.00 O ATOM 0 H SER A 340 72.063 -7.297 7.020 1.00 0.00 H new ATOM 0 HA SER A 340 73.541 -5.393 8.703 1.00 0.00 H new ATOM 0 HB2 SER A 340 71.310 -4.378 8.345 1.00 0.00 H new ATOM 0 HB3 SER A 340 70.530 -5.880 8.800 1.00 0.00 H new ATOM 0 HG SER A 340 70.633 -4.376 10.560 1.00 0.00 H new ATOM 224 N GLN A 344 78.630 -5.200 9.237 1.00 0.00 N ATOM 225 CA GLN A 344 79.789 -4.458 9.731 1.00 0.00 C ATOM 226 C GLN A 344 79.505 -2.959 9.760 1.00 0.00 C ATOM 227 O GLN A 344 78.421 -2.514 9.386 1.00 0.00 O ATOM 228 CB GLN A 344 81.021 -4.730 8.861 1.00 0.00 C ATOM 229 CG GLN A 344 80.718 -4.767 7.371 1.00 0.00 C ATOM 230 CD GLN A 344 81.905 -4.350 6.525 1.00 0.00 C ATOM 231 OE1 GLN A 344 82.517 -3.309 6.764 1.00 0.00 O ATOM 232 NE2 GLN A 344 82.236 -5.162 5.528 1.00 0.00 N ATOM 0 HA GLN A 344 79.989 -4.799 10.747 1.00 0.00 H new ATOM 0 HB2 GLN A 344 81.768 -3.959 9.052 1.00 0.00 H new ATOM 0 HB3 GLN A 344 81.462 -5.682 9.157 1.00 0.00 H new ATOM 0 HG2 GLN A 344 80.413 -5.775 7.091 1.00 0.00 H new ATOM 0 HG3 GLN A 344 79.876 -4.109 7.159 1.00 0.00 H new ATOM 0 HE21 GLN A 344 81.701 -6.015 5.366 1.00 0.00 H new ATOM 0 HE22 GLN A 344 83.025 -4.933 4.924 1.00 0.00 H new ATOM 241 N VAL A 345 80.493 -2.187 10.202 1.00 0.00 N ATOM 242 CA VAL A 345 80.361 -0.737 10.276 1.00 0.00 C ATOM 243 C VAL A 345 80.527 -0.107 8.895 1.00 0.00 C ATOM 244 O VAL A 345 81.345 -0.558 8.094 1.00 0.00 O ATOM 245 CB VAL A 345 81.399 -0.128 11.241 1.00 0.00 C ATOM 246 CG1 VAL A 345 82.814 -0.420 10.762 1.00 0.00 C ATOM 247 CG2 VAL A 345 81.177 1.371 11.396 1.00 0.00 C ATOM 0 H VAL A 345 81.396 -2.543 10.515 1.00 0.00 H new ATOM 0 HA VAL A 345 79.361 -0.522 10.654 1.00 0.00 H new ATOM 0 HB VAL A 345 81.270 -0.592 12.219 1.00 0.00 H new ATOM 0 HG11 VAL A 345 83.531 0.018 11.456 1.00 0.00 H new ATOM 0 HG12 VAL A 345 82.967 -1.498 10.715 1.00 0.00 H new ATOM 0 HG13 VAL A 345 82.959 0.011 9.771 1.00 0.00 H new ATOM 0 HG21 VAL A 345 81.920 1.780 12.081 1.00 0.00 H new ATOM 0 HG22 VAL A 345 81.273 1.855 10.424 1.00 0.00 H new ATOM 0 HG23 VAL A 345 80.178 1.552 11.794 1.00 0.00 H new ATOM 257 N CYS A 346 79.743 0.935 8.624 1.00 0.00 N ATOM 258 CA CYS A 346 79.795 1.632 7.337 1.00 0.00 C ATOM 259 C CYS A 346 81.236 1.830 6.864 1.00 0.00 C ATOM 260 O CYS A 346 81.997 2.589 7.462 1.00 0.00 O ATOM 261 CB CYS A 346 79.089 2.986 7.446 1.00 0.00 C ATOM 262 SG CYS A 346 79.087 3.948 5.898 1.00 0.00 S ATOM 0 H CYS A 346 79.062 1.317 9.280 1.00 0.00 H new ATOM 0 HA CYS A 346 79.283 1.013 6.600 1.00 0.00 H new ATOM 0 HB2 CYS A 346 78.059 2.822 7.761 1.00 0.00 H new ATOM 0 HB3 CYS A 346 79.572 3.574 8.227 1.00 0.00 H new ATOM 0 HG CYS A 346 78.164 4.862 5.956 1.00 0.00 H new ATOM 267 N ASN A 347 81.602 1.134 5.790 1.00 0.00 N ATOM 268 CA ASN A 347 82.952 1.221 5.236 1.00 0.00 C ATOM 269 C ASN A 347 83.296 2.647 4.807 1.00 0.00 C ATOM 270 O ASN A 347 84.468 2.982 4.632 1.00 0.00 O ATOM 271 CB ASN A 347 83.103 0.270 4.044 1.00 0.00 C ATOM 272 CG ASN A 347 83.257 -1.176 4.475 1.00 0.00 C ATOM 273 OD1 ASN A 347 82.272 -1.890 4.658 1.00 0.00 O ATOM 274 ND2 ASN A 347 84.500 -1.614 4.639 1.00 0.00 N ATOM 0 H ASN A 347 80.981 0.502 5.285 1.00 0.00 H new ATOM 0 HA ASN A 347 83.647 0.928 6.023 1.00 0.00 H new ATOM 0 HB2 ASN A 347 82.231 0.362 3.396 1.00 0.00 H new ATOM 0 HB3 ASN A 347 83.971 0.565 3.455 1.00 0.00 H new ATOM 0 HD21 ASN A 347 84.667 -2.578 4.928 1.00 0.00 H new ATOM 0 HD22 ASN A 347 85.287 -0.987 4.476 1.00 0.00 H new ATOM 281 N VAL A 348 82.276 3.481 4.627 1.00 0.00 N ATOM 282 CA VAL A 348 82.489 4.862 4.207 1.00 0.00 C ATOM 283 C VAL A 348 82.778 5.778 5.398 1.00 0.00 C ATOM 284 O VAL A 348 83.932 6.118 5.662 1.00 0.00 O ATOM 285 CB VAL A 348 81.274 5.402 3.424 1.00 0.00 C ATOM 286 CG1 VAL A 348 81.534 6.820 2.936 1.00 0.00 C ATOM 287 CG2 VAL A 348 80.944 4.484 2.257 1.00 0.00 C ATOM 0 H VAL A 348 81.298 3.226 4.765 1.00 0.00 H new ATOM 0 HA VAL A 348 83.361 4.859 3.553 1.00 0.00 H new ATOM 0 HB VAL A 348 80.416 5.427 4.096 1.00 0.00 H new ATOM 0 HG11 VAL A 348 80.665 7.181 2.387 1.00 0.00 H new ATOM 0 HG12 VAL A 348 81.719 7.471 3.791 1.00 0.00 H new ATOM 0 HG13 VAL A 348 82.405 6.825 2.281 1.00 0.00 H new ATOM 0 HG21 VAL A 348 80.085 4.879 1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 348 81.801 4.426 1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 348 80.709 3.488 2.633 1.00 0.00 H new ATOM 297 N CYS A 349 81.727 6.187 6.104 1.00 0.00 N ATOM 298 CA CYS A 349 81.874 7.076 7.253 1.00 0.00 C ATOM 299 C CYS A 349 82.242 6.304 8.518 1.00 0.00 C ATOM 300 O CYS A 349 82.965 6.813 9.375 1.00 0.00 O ATOM 301 CB CYS A 349 80.579 7.859 7.480 1.00 0.00 C ATOM 302 SG CYS A 349 79.167 6.831 8.004 1.00 0.00 S ATOM 0 H CYS A 349 80.765 5.917 5.901 1.00 0.00 H new ATOM 0 HA CYS A 349 82.686 7.769 7.035 1.00 0.00 H new ATOM 0 HB2 CYS A 349 80.758 8.624 8.236 1.00 0.00 H new ATOM 0 HB3 CYS A 349 80.315 8.377 6.558 1.00 0.00 H new ATOM 0 HG CYS A 349 79.165 5.720 7.329 1.00 0.00 H new ATOM 307 N GLN A 350 81.736 5.081 8.635 1.00 0.00 N ATOM 308 CA GLN A 350 82.012 4.251 9.804 1.00 0.00 C ATOM 309 C GLN A 350 81.462 4.903 11.070 1.00 0.00 C ATOM 310 O GLN A 350 82.095 5.786 11.649 1.00 0.00 O ATOM 311 CB GLN A 350 83.519 4.020 9.951 1.00 0.00 C ATOM 312 CG GLN A 350 84.009 2.752 9.272 1.00 0.00 C ATOM 313 CD GLN A 350 85.365 2.304 9.783 1.00 0.00 C ATOM 314 OE1 GLN A 350 86.178 3.120 10.217 1.00 0.00 O ATOM 315 NE2 GLN A 350 85.614 1.001 9.734 1.00 0.00 N ATOM 0 H GLN A 350 81.134 4.643 7.938 1.00 0.00 H new ATOM 0 HA GLN A 350 81.518 3.290 9.662 1.00 0.00 H new ATOM 0 HB2 GLN A 350 84.052 4.875 9.534 1.00 0.00 H new ATOM 0 HB3 GLN A 350 83.770 3.975 11.011 1.00 0.00 H new ATOM 0 HG2 GLN A 350 83.283 1.955 9.432 1.00 0.00 H new ATOM 0 HG3 GLN A 350 84.067 2.919 8.196 1.00 0.00 H new ATOM 0 HE21 GLN A 350 84.910 0.361 9.366 1.00 0.00 H new ATOM 0 HE22 GLN A 350 86.509 0.640 10.064 1.00 0.00 H new ATOM 324 N LYS A 351 80.280 4.466 11.494 1.00 0.00 N ATOM 325 CA LYS A 351 79.649 5.013 12.691 1.00 0.00 C ATOM 326 C LYS A 351 78.958 3.918 13.499 1.00 0.00 C ATOM 327 O LYS A 351 79.003 2.742 13.136 1.00 0.00 O ATOM 328 CB LYS A 351 78.636 6.094 12.308 1.00 0.00 C ATOM 329 CG LYS A 351 79.278 7.389 11.838 1.00 0.00 C ATOM 330 CD LYS A 351 79.369 8.406 12.964 1.00 0.00 C ATOM 331 CE LYS A 351 80.396 9.485 12.658 1.00 0.00 C ATOM 332 NZ LYS A 351 79.778 10.673 12.008 1.00 0.00 N ATOM 0 H LYS A 351 79.741 3.736 11.028 1.00 0.00 H new ATOM 0 HA LYS A 351 80.430 5.454 13.310 1.00 0.00 H new ATOM 0 HB2 LYS A 351 77.989 5.711 11.518 1.00 0.00 H new ATOM 0 HB3 LYS A 351 77.999 6.305 13.167 1.00 0.00 H new ATOM 0 HG2 LYS A 351 80.276 7.182 11.451 1.00 0.00 H new ATOM 0 HG3 LYS A 351 78.698 7.806 11.015 1.00 0.00 H new ATOM 0 HD2 LYS A 351 78.393 8.865 13.121 1.00 0.00 H new ATOM 0 HD3 LYS A 351 79.636 7.900 13.892 1.00 0.00 H new ATOM 0 HE2 LYS A 351 80.887 9.791 13.582 1.00 0.00 H new ATOM 0 HE3 LYS A 351 81.169 9.076 12.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 80.512 11.385 11.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 79.332 10.386 11.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 79.058 11.079 12.640 1.00 0.00 H new ATOM 346 N SER A 352 78.320 4.314 14.597 1.00 0.00 N ATOM 347 CA SER A 352 77.620 3.369 15.460 1.00 0.00 C ATOM 348 C SER A 352 76.372 2.823 14.773 1.00 0.00 C ATOM 349 O SER A 352 75.271 3.341 14.959 1.00 0.00 O ATOM 350 CB SER A 352 77.236 4.040 16.780 1.00 0.00 C ATOM 351 OG SER A 352 76.679 3.104 17.686 1.00 0.00 O ATOM 0 H SER A 352 78.274 5.284 14.910 1.00 0.00 H new ATOM 0 HA SER A 352 78.293 2.536 15.665 1.00 0.00 H new ATOM 0 HB2 SER A 352 78.117 4.502 17.226 1.00 0.00 H new ATOM 0 HB3 SER A 352 76.518 4.838 16.590 1.00 0.00 H new ATOM 0 HG SER A 352 76.444 3.558 18.522 1.00 0.00 H new ATOM 357 N MET A 353 76.555 1.777 13.976 1.00 0.00 N ATOM 358 CA MET A 353 75.449 1.157 13.254 1.00 0.00 C ATOM 359 C MET A 353 75.939 -0.065 12.489 1.00 0.00 C ATOM 360 O MET A 353 77.128 -0.383 12.517 1.00 0.00 O ATOM 361 CB MET A 353 74.803 2.156 12.284 1.00 0.00 C ATOM 362 CG MET A 353 75.776 3.164 11.685 1.00 0.00 C ATOM 363 SD MET A 353 75.073 4.821 11.567 1.00 0.00 S ATOM 364 CE MET A 353 75.409 5.450 13.210 1.00 0.00 C ATOM 0 H MET A 353 77.461 1.339 13.813 1.00 0.00 H new ATOM 0 HA MET A 353 74.699 0.846 13.982 1.00 0.00 H new ATOM 0 HB2 MET A 353 74.326 1.603 11.475 1.00 0.00 H new ATOM 0 HB3 MET A 353 74.015 2.696 12.808 1.00 0.00 H new ATOM 0 HG2 MET A 353 76.679 3.199 12.295 1.00 0.00 H new ATOM 0 HG3 MET A 353 76.075 2.829 10.692 1.00 0.00 H new ATOM 0 HE1 MET A 353 75.562 6.528 13.163 1.00 0.00 H new ATOM 0 HE2 MET A 353 74.564 5.232 13.863 1.00 0.00 H new ATOM 0 HE3 MET A 353 76.306 4.973 13.606 1.00 0.00 H new ATOM 374 N ILE A 354 75.042 -0.706 11.747 1.00 0.00 N ATOM 375 CA ILE A 354 75.410 -1.810 10.931 1.00 0.00 C ATOM 376 C ILE A 354 74.639 -1.727 9.653 1.00 0.00 C ATOM 377 O ILE A 354 73.526 -2.227 9.495 1.00 0.00 O ATOM 378 CB ILE A 354 75.153 -3.153 11.607 1.00 0.00 C ATOM 379 CG1 ILE A 354 75.711 -4.299 10.758 1.00 0.00 C ATOM 380 CG2 ILE A 354 73.666 -3.352 11.875 1.00 0.00 C ATOM 381 CD1 ILE A 354 76.827 -5.061 11.438 1.00 0.00 C ATOM 0 H ILE A 354 74.052 -0.462 11.708 1.00 0.00 H new ATOM 0 HA ILE A 354 76.483 -1.755 10.746 1.00 0.00 H new ATOM 0 HB ILE A 354 75.670 -3.155 12.566 1.00 0.00 H new ATOM 0 HG12 ILE A 354 74.903 -4.990 10.517 1.00 0.00 H new ATOM 0 HG13 ILE A 354 76.078 -3.897 9.814 1.00 0.00 H new ATOM 0 HG21 ILE A 354 73.509 -4.317 12.357 1.00 0.00 H new ATOM 0 HG22 ILE A 354 73.304 -2.557 12.527 1.00 0.00 H new ATOM 0 HG23 ILE A 354 73.120 -3.325 10.932 1.00 0.00 H new ATOM 0 HD11 ILE A 354 77.176 -5.858 10.782 1.00 0.00 H new ATOM 0 HD12 ILE A 354 77.652 -4.382 11.654 1.00 0.00 H new ATOM 0 HD13 ILE A 354 76.459 -5.492 12.369 1.00 0.00 H new ATOM 393 N PHE A 355 75.293 -1.104 8.764 1.00 0.00 N ATOM 394 CA PHE A 355 74.800 -0.898 7.415 1.00 0.00 C ATOM 395 C PHE A 355 75.911 -1.133 6.408 1.00 0.00 C ATOM 396 O PHE A 355 76.939 -0.455 6.444 1.00 0.00 O ATOM 397 CB PHE A 355 74.240 0.516 7.262 1.00 0.00 C ATOM 398 CG PHE A 355 72.754 0.599 7.465 1.00 0.00 C ATOM 399 CD1 PHE A 355 71.902 -0.267 6.798 1.00 0.00 C ATOM 400 CD2 PHE A 355 72.210 1.541 8.322 1.00 0.00 C ATOM 401 CE1 PHE A 355 70.534 -0.193 6.982 1.00 0.00 C ATOM 402 CE2 PHE A 355 70.843 1.619 8.511 1.00 0.00 C ATOM 403 CZ PHE A 355 70.004 0.751 7.840 1.00 0.00 C ATOM 0 H PHE A 355 76.215 -0.700 8.930 1.00 0.00 H new ATOM 0 HA PHE A 355 73.998 -1.612 7.226 1.00 0.00 H new ATOM 0 HB2 PHE A 355 74.733 1.173 7.978 1.00 0.00 H new ATOM 0 HB3 PHE A 355 74.484 0.889 6.267 1.00 0.00 H new ATOM 0 HD1 PHE A 355 72.311 -1.008 6.127 1.00 0.00 H new ATOM 0 HD2 PHE A 355 72.861 2.223 8.849 1.00 0.00 H new ATOM 0 HE1 PHE A 355 69.880 -0.873 6.455 1.00 0.00 H new ATOM 0 HE2 PHE A 355 70.431 2.358 9.183 1.00 0.00 H new ATOM 0 HZ PHE A 355 68.936 0.810 7.986 1.00 0.00 H new ATOM 413 N GLY A 356 75.708 -2.077 5.500 1.00 0.00 N ATOM 414 CA GLY A 356 76.723 -2.338 4.502 1.00 0.00 C ATOM 415 C GLY A 356 76.154 -2.843 3.208 1.00 0.00 C ATOM 416 O GLY A 356 75.643 -3.955 3.129 1.00 0.00 O ATOM 0 H GLY A 356 74.872 -2.658 5.437 1.00 0.00 H new ATOM 0 HA2 GLY A 356 77.284 -1.423 4.314 1.00 0.00 H new ATOM 0 HA3 GLY A 356 77.430 -3.070 4.893 1.00 0.00 H new ATOM 420 N VAL A 357 76.275 -2.027 2.190 1.00 0.00 N ATOM 421 CA VAL A 357 75.793 -2.387 0.868 1.00 0.00 C ATOM 422 C VAL A 357 76.961 -2.773 -0.019 1.00 0.00 C ATOM 423 O VAL A 357 77.982 -2.088 -0.045 1.00 0.00 O ATOM 424 CB VAL A 357 74.996 -1.240 0.205 1.00 0.00 C ATOM 425 CG1 VAL A 357 73.816 -0.840 1.078 1.00 0.00 C ATOM 426 CG2 VAL A 357 75.891 -0.040 -0.076 1.00 0.00 C ATOM 0 H VAL A 357 76.704 -1.104 2.246 1.00 0.00 H new ATOM 0 HA VAL A 357 75.117 -3.234 0.987 1.00 0.00 H new ATOM 0 HB VAL A 357 74.614 -1.601 -0.750 1.00 0.00 H new ATOM 0 HG11 VAL A 357 73.265 -0.032 0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 357 73.157 -1.697 1.214 1.00 0.00 H new ATOM 0 HG13 VAL A 357 74.179 -0.504 2.049 1.00 0.00 H new ATOM 0 HG21 VAL A 357 75.303 0.751 -0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 357 76.314 0.326 0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 357 76.697 -0.337 -0.747 1.00 0.00 H new ATOM 436 N LYS A 358 76.816 -3.878 -0.735 1.00 0.00 N ATOM 437 CA LYS A 358 77.873 -4.348 -1.611 1.00 0.00 C ATOM 438 C LYS A 358 77.445 -4.276 -3.069 1.00 0.00 C ATOM 439 O LYS A 358 76.349 -4.703 -3.433 1.00 0.00 O ATOM 440 CB LYS A 358 78.289 -5.777 -1.235 1.00 0.00 C ATOM 441 CG LYS A 358 77.416 -6.862 -1.846 1.00 0.00 C ATOM 442 CD LYS A 358 77.030 -7.916 -0.820 1.00 0.00 C ATOM 443 CE LYS A 358 76.374 -9.119 -1.477 1.00 0.00 C ATOM 444 NZ LYS A 358 75.320 -9.719 -0.612 1.00 0.00 N ATOM 0 H LYS A 358 75.980 -4.462 -0.726 1.00 0.00 H new ATOM 0 HA LYS A 358 78.736 -3.694 -1.483 1.00 0.00 H new ATOM 0 HB2 LYS A 358 79.321 -5.937 -1.548 1.00 0.00 H new ATOM 0 HB3 LYS A 358 78.266 -5.876 -0.150 1.00 0.00 H new ATOM 0 HG2 LYS A 358 76.515 -6.412 -2.263 1.00 0.00 H new ATOM 0 HG3 LYS A 358 77.948 -7.335 -2.672 1.00 0.00 H new ATOM 0 HD2 LYS A 358 77.918 -8.237 -0.275 1.00 0.00 H new ATOM 0 HD3 LYS A 358 76.347 -7.482 -0.090 1.00 0.00 H new ATOM 0 HE2 LYS A 358 75.935 -8.818 -2.428 1.00 0.00 H new ATOM 0 HE3 LYS A 358 77.132 -9.870 -1.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 358 74.897 -10.537 -1.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 358 75.743 -10.029 0.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 358 74.583 -9.011 -0.421 1.00 0.00 H new ATOM 458 N CYS A 359 78.322 -3.732 -3.896 1.00 0.00 N ATOM 459 CA CYS A 359 78.049 -3.606 -5.321 1.00 0.00 C ATOM 460 C CYS A 359 78.949 -4.539 -6.108 1.00 0.00 C ATOM 461 O CYS A 359 80.145 -4.632 -5.837 1.00 0.00 O ATOM 462 CB CYS A 359 78.253 -2.163 -5.796 1.00 0.00 C ATOM 463 SG CYS A 359 79.996 -1.630 -5.888 1.00 0.00 S ATOM 0 H CYS A 359 79.230 -3.370 -3.606 1.00 0.00 H new ATOM 0 HA CYS A 359 77.008 -3.879 -5.491 1.00 0.00 H new ATOM 0 HB2 CYS A 359 77.801 -2.052 -6.781 1.00 0.00 H new ATOM 0 HB3 CYS A 359 77.718 -1.494 -5.122 1.00 0.00 H new ATOM 0 HG CYS A 359 80.070 -0.350 -5.674 1.00 0.00 H new ATOM 468 N LYS A 360 78.381 -5.218 -7.091 1.00 0.00 N ATOM 469 CA LYS A 360 79.123 -6.108 -7.905 1.00 0.00 C ATOM 470 C LYS A 360 79.880 -5.323 -8.951 1.00 0.00 C ATOM 471 O LYS A 360 79.993 -4.100 -8.876 1.00 0.00 O ATOM 472 CB LYS A 360 78.165 -7.110 -8.542 1.00 0.00 C ATOM 473 CG LYS A 360 78.216 -8.505 -7.927 1.00 0.00 C ATOM 474 CD LYS A 360 78.223 -8.466 -6.402 1.00 0.00 C ATOM 475 CE LYS A 360 76.815 -8.423 -5.828 1.00 0.00 C ATOM 476 NZ LYS A 360 75.903 -7.561 -6.631 1.00 0.00 N ATOM 0 H LYS A 360 77.392 -5.153 -7.330 1.00 0.00 H new ATOM 0 HA LYS A 360 79.851 -6.657 -7.307 1.00 0.00 H new ATOM 0 HB2 LYS A 360 77.148 -6.726 -8.459 1.00 0.00 H new ATOM 0 HB3 LYS A 360 78.391 -7.186 -9.606 1.00 0.00 H new ATOM 0 HG2 LYS A 360 77.357 -9.082 -8.269 1.00 0.00 H new ATOM 0 HG3 LYS A 360 79.108 -9.022 -8.279 1.00 0.00 H new ATOM 0 HD2 LYS A 360 78.744 -9.343 -6.019 1.00 0.00 H new ATOM 0 HD3 LYS A 360 78.779 -7.592 -6.064 1.00 0.00 H new ATOM 0 HE2 LYS A 360 76.411 -9.435 -5.786 1.00 0.00 H new ATOM 0 HE3 LYS A 360 76.854 -8.052 -4.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 360 74.980 -7.495 -6.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 360 76.315 -6.610 -6.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 360 75.777 -7.975 -7.576 1.00 0.00 H new ATOM 490 N HIS A 361 80.402 -6.039 -9.908 1.00 0.00 N ATOM 491 CA HIS A 361 81.182 -5.446 -10.993 1.00 0.00 C ATOM 492 C HIS A 361 82.516 -4.897 -10.477 1.00 0.00 C ATOM 493 O HIS A 361 83.531 -4.953 -11.172 1.00 0.00 O ATOM 494 CB HIS A 361 80.388 -4.328 -11.675 1.00 0.00 C ATOM 495 CG HIS A 361 78.970 -4.701 -11.978 1.00 0.00 C ATOM 496 ND1 HIS A 361 77.933 -4.508 -11.089 1.00 0.00 N ATOM 497 CD2 HIS A 361 78.416 -5.259 -13.082 1.00 0.00 C ATOM 498 CE1 HIS A 361 76.805 -4.932 -11.631 1.00 0.00 C ATOM 499 NE2 HIS A 361 77.071 -5.391 -12.840 1.00 0.00 N ATOM 0 H HIS A 361 80.306 -7.053 -9.970 1.00 0.00 H new ATOM 0 HA HIS A 361 81.390 -6.230 -11.721 1.00 0.00 H new ATOM 0 HB2 HIS A 361 80.394 -3.446 -11.034 1.00 0.00 H new ATOM 0 HB3 HIS A 361 80.889 -4.052 -12.603 1.00 0.00 H new ATOM 0 HD2 HIS A 361 78.936 -5.546 -13.984 1.00 0.00 H new ATOM 0 HE1 HIS A 361 75.831 -4.907 -11.164 1.00 0.00 H new ATOM 0 HE2 HIS A 361 76.388 -5.781 -13.489 1.00 0.00 H new ATOM 508 N CYS A 362 82.505 -4.364 -9.255 1.00 0.00 N ATOM 509 CA CYS A 362 83.705 -3.800 -8.642 1.00 0.00 C ATOM 510 C CYS A 362 83.934 -4.390 -7.251 1.00 0.00 C ATOM 511 O CYS A 362 85.068 -4.680 -6.870 1.00 0.00 O ATOM 512 CB CYS A 362 83.596 -2.271 -8.541 1.00 0.00 C ATOM 513 SG CYS A 362 82.225 -1.538 -9.495 1.00 0.00 S ATOM 0 H CYS A 362 81.672 -4.312 -8.668 1.00 0.00 H new ATOM 0 HA CYS A 362 84.553 -4.055 -9.277 1.00 0.00 H new ATOM 0 HB2 CYS A 362 83.477 -1.998 -7.493 1.00 0.00 H new ATOM 0 HB3 CYS A 362 84.533 -1.831 -8.881 1.00 0.00 H new ATOM 0 HG CYS A 362 81.459 -0.854 -8.698 1.00 0.00 H new ATOM 518 N ARG A 363 82.845 -4.560 -6.498 1.00 0.00 N ATOM 519 CA ARG A 363 82.908 -5.112 -5.142 1.00 0.00 C ATOM 520 C ARG A 363 83.294 -4.038 -4.127 1.00 0.00 C ATOM 521 O ARG A 363 84.423 -4.009 -3.636 1.00 0.00 O ATOM 522 CB ARG A 363 83.900 -6.279 -5.072 1.00 0.00 C ATOM 523 CG ARG A 363 83.490 -7.367 -4.094 1.00 0.00 C ATOM 524 CD ARG A 363 83.666 -6.916 -2.653 1.00 0.00 C ATOM 525 NE ARG A 363 83.260 -7.948 -1.702 1.00 0.00 N ATOM 526 CZ ARG A 363 83.960 -9.055 -1.465 1.00 0.00 C ATOM 527 NH1 ARG A 363 85.101 -9.277 -2.107 1.00 0.00 N ATOM 528 NH2 ARG A 363 83.519 -9.942 -0.584 1.00 0.00 N ATOM 0 H ARG A 363 81.903 -4.322 -6.807 1.00 0.00 H new ATOM 0 HA ARG A 363 81.914 -5.482 -4.892 1.00 0.00 H new ATOM 0 HB2 ARG A 363 84.005 -6.716 -6.065 1.00 0.00 H new ATOM 0 HB3 ARG A 363 84.880 -5.896 -4.787 1.00 0.00 H new ATOM 0 HG2 ARG A 363 82.449 -7.639 -4.267 1.00 0.00 H new ATOM 0 HG3 ARG A 363 84.087 -8.261 -4.272 1.00 0.00 H new ATOM 0 HD2 ARG A 363 84.710 -6.654 -2.480 1.00 0.00 H new ATOM 0 HD3 ARG A 363 83.079 -6.014 -2.481 1.00 0.00 H new ATOM 0 HE ARG A 363 82.389 -7.812 -1.189 1.00 0.00 H new ATOM 0 HH11 ARG A 363 85.445 -8.598 -2.786 1.00 0.00 H new ATOM 0 HH12 ARG A 363 85.633 -10.127 -1.922 1.00 0.00 H new ATOM 0 HH21 ARG A 363 82.643 -9.776 -0.088 1.00 0.00 H new ATOM 0 HH22 ARG A 363 84.055 -10.790 -0.402 1.00 0.00 H new ATOM 542 N LEU A 364 82.344 -3.160 -3.810 1.00 0.00 N ATOM 543 CA LEU A 364 82.577 -2.087 -2.846 1.00 0.00 C ATOM 544 C LEU A 364 81.614 -2.211 -1.670 1.00 0.00 C ATOM 545 O LEU A 364 80.601 -2.898 -1.766 1.00 0.00 O ATOM 546 CB LEU A 364 82.402 -0.723 -3.515 1.00 0.00 C ATOM 547 CG LEU A 364 83.295 0.391 -2.961 1.00 0.00 C ATOM 548 CD1 LEU A 364 84.726 0.218 -3.444 1.00 0.00 C ATOM 549 CD2 LEU A 364 82.755 1.754 -3.365 1.00 0.00 C ATOM 0 H LEU A 364 81.405 -3.171 -4.207 1.00 0.00 H new ATOM 0 HA LEU A 364 83.599 -2.173 -2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 364 82.601 -0.830 -4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 364 81.361 -0.417 -3.414 1.00 0.00 H new ATOM 0 HG LEU A 364 83.291 0.328 -1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 364 85.346 1.019 -3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 364 85.110 -0.744 -3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 364 84.749 0.255 -4.533 1.00 0.00 H new ATOM 0 HD21 LEU A 364 83.401 2.535 -2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 364 82.730 1.828 -4.452 1.00 0.00 H new ATOM 0 HD23 LEU A 364 81.747 1.878 -2.969 1.00 0.00 H new ATOM 561 N LYS A 365 81.927 -1.543 -0.562 1.00 0.00 N ATOM 562 CA LYS A 365 81.070 -1.591 0.616 1.00 0.00 C ATOM 563 C LYS A 365 80.801 -0.186 1.150 1.00 0.00 C ATOM 564 O LYS A 365 81.723 0.614 1.309 1.00 0.00 O ATOM 565 CB LYS A 365 81.709 -2.452 1.706 1.00 0.00 C ATOM 566 CG LYS A 365 81.796 -3.925 1.345 1.00 0.00 C ATOM 567 CD LYS A 365 82.969 -4.204 0.420 1.00 0.00 C ATOM 568 CE LYS A 365 83.647 -5.521 0.761 1.00 0.00 C ATOM 569 NZ LYS A 365 84.386 -5.448 2.052 1.00 0.00 N ATOM 0 H LYS A 365 82.762 -0.967 -0.457 1.00 0.00 H new ATOM 0 HA LYS A 365 80.119 -2.038 0.325 1.00 0.00 H new ATOM 0 HB2 LYS A 365 82.712 -2.077 1.912 1.00 0.00 H new ATOM 0 HB3 LYS A 365 81.134 -2.345 2.626 1.00 0.00 H new ATOM 0 HG2 LYS A 365 81.899 -4.518 2.254 1.00 0.00 H new ATOM 0 HG3 LYS A 365 80.869 -4.238 0.864 1.00 0.00 H new ATOM 0 HD2 LYS A 365 82.621 -4.229 -0.613 1.00 0.00 H new ATOM 0 HD3 LYS A 365 83.692 -3.392 0.493 1.00 0.00 H new ATOM 0 HE2 LYS A 365 82.898 -6.311 0.816 1.00 0.00 H new ATOM 0 HE3 LYS A 365 84.338 -5.791 -0.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 85.093 -6.210 2.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 84.865 -4.528 2.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 83.717 -5.555 2.841 1.00 0.00 H new ATOM 583 N CYS A 366 79.533 0.109 1.418 1.00 0.00 N ATOM 584 CA CYS A 366 79.144 1.420 1.930 1.00 0.00 C ATOM 585 C CYS A 366 77.802 1.354 2.657 1.00 0.00 C ATOM 586 O CYS A 366 77.035 0.410 2.476 1.00 0.00 O ATOM 587 CB CYS A 366 79.075 2.444 0.793 1.00 0.00 C ATOM 588 SG CYS A 366 78.358 1.811 -0.741 1.00 0.00 S ATOM 0 H CYS A 366 78.757 -0.541 1.290 1.00 0.00 H new ATOM 0 HA CYS A 366 79.905 1.735 2.644 1.00 0.00 H new ATOM 0 HB2 CYS A 366 78.489 3.300 1.127 1.00 0.00 H new ATOM 0 HB3 CYS A 366 80.082 2.807 0.586 1.00 0.00 H new ATOM 0 HG CYS A 366 79.249 1.115 -1.382 1.00 0.00 H new ATOM 594 N HIS A 367 77.529 2.368 3.477 1.00 0.00 N ATOM 595 CA HIS A 367 76.277 2.453 4.237 1.00 0.00 C ATOM 596 C HIS A 367 75.079 2.079 3.369 1.00 0.00 C ATOM 597 O HIS A 367 75.216 1.891 2.162 1.00 0.00 O ATOM 598 CB HIS A 367 76.087 3.882 4.752 1.00 0.00 C ATOM 599 CG HIS A 367 75.944 3.991 6.235 1.00 0.00 C ATOM 600 ND1 HIS A 367 76.858 4.687 6.980 1.00 0.00 N ATOM 601 CD2 HIS A 367 74.982 3.502 7.053 1.00 0.00 C ATOM 602 CE1 HIS A 367 76.439 4.613 8.231 1.00 0.00 C ATOM 603 NE2 HIS A 367 75.304 3.902 8.325 1.00 0.00 N ATOM 0 H HIS A 367 78.164 3.151 3.635 1.00 0.00 H new ATOM 0 HA HIS A 367 76.339 1.753 5.070 1.00 0.00 H new ATOM 0 HB2 HIS A 367 76.938 4.485 4.436 1.00 0.00 H new ATOM 0 HB3 HIS A 367 75.202 4.310 4.282 1.00 0.00 H new ATOM 0 HD2 HIS A 367 74.127 2.911 6.760 1.00 0.00 H new ATOM 0 HE1 HIS A 367 76.945 5.066 9.071 1.00 0.00 H new ATOM 0 HE2 HIS A 367 74.782 3.699 9.177 1.00 0.00 H new ATOM 611 N ASN A 368 73.894 2.010 3.978 1.00 0.00 N ATOM 612 CA ASN A 368 72.677 1.695 3.232 1.00 0.00 C ATOM 613 C ASN A 368 72.641 2.506 1.939 1.00 0.00 C ATOM 614 O ASN A 368 72.108 2.065 0.921 1.00 0.00 O ATOM 615 CB ASN A 368 71.438 1.997 4.077 1.00 0.00 C ATOM 616 CG ASN A 368 71.501 3.364 4.730 1.00 0.00 C ATOM 617 OD1 ASN A 368 72.279 3.586 5.658 1.00 0.00 O ATOM 618 ND2 ASN A 368 70.681 4.289 4.247 1.00 0.00 N ATOM 0 H ASN A 368 73.752 2.166 4.976 1.00 0.00 H new ATOM 0 HA ASN A 368 72.678 0.632 2.989 1.00 0.00 H new ATOM 0 HB2 ASN A 368 70.550 1.939 3.448 1.00 0.00 H new ATOM 0 HB3 ASN A 368 71.333 1.234 4.848 1.00 0.00 H new ATOM 0 HD21 ASN A 368 70.679 5.228 4.646 1.00 0.00 H new ATOM 0 HD22 ASN A 368 70.052 4.061 3.477 1.00 0.00 H new ATOM 625 N LYS A 369 73.246 3.690 1.997 1.00 0.00 N ATOM 626 CA LYS A 369 73.333 4.578 0.852 1.00 0.00 C ATOM 627 C LYS A 369 74.665 5.324 0.879 1.00 0.00 C ATOM 628 O LYS A 369 75.605 4.956 0.175 1.00 0.00 O ATOM 629 CB LYS A 369 72.166 5.570 0.850 1.00 0.00 C ATOM 630 CG LYS A 369 70.980 5.112 0.017 1.00 0.00 C ATOM 631 CD LYS A 369 71.394 4.780 -1.408 1.00 0.00 C ATOM 632 CE LYS A 369 70.366 5.268 -2.416 1.00 0.00 C ATOM 633 NZ LYS A 369 70.222 4.329 -3.562 1.00 0.00 N ATOM 0 H LYS A 369 73.688 4.056 2.840 1.00 0.00 H new ATOM 0 HA LYS A 369 73.276 3.984 -0.060 1.00 0.00 H new ATOM 0 HB2 LYS A 369 71.837 5.733 1.876 1.00 0.00 H new ATOM 0 HB3 LYS A 369 72.517 6.530 0.471 1.00 0.00 H new ATOM 0 HG2 LYS A 369 70.527 4.235 0.479 1.00 0.00 H new ATOM 0 HG3 LYS A 369 70.220 5.893 0.003 1.00 0.00 H new ATOM 0 HD2 LYS A 369 72.360 5.236 -1.623 1.00 0.00 H new ATOM 0 HD3 LYS A 369 71.521 3.702 -1.509 1.00 0.00 H new ATOM 0 HE2 LYS A 369 69.402 5.388 -1.922 1.00 0.00 H new ATOM 0 HE3 LYS A 369 70.659 6.250 -2.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 369 69.512 4.698 -4.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 369 71.136 4.234 -4.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 369 69.918 3.398 -3.212 1.00 0.00 H new ATOM 647 N CYS A 370 74.739 6.364 1.713 1.00 0.00 N ATOM 648 CA CYS A 370 75.954 7.174 1.865 1.00 0.00 C ATOM 649 C CYS A 370 76.683 7.378 0.534 1.00 0.00 C ATOM 650 O CYS A 370 77.903 7.537 0.505 1.00 0.00 O ATOM 651 CB CYS A 370 76.900 6.523 2.880 1.00 0.00 C ATOM 652 SG CYS A 370 76.669 7.103 4.597 1.00 0.00 S ATOM 0 H CYS A 370 73.963 6.669 2.300 1.00 0.00 H new ATOM 0 HA CYS A 370 75.645 8.155 2.226 1.00 0.00 H new ATOM 0 HB2 CYS A 370 76.758 5.443 2.851 1.00 0.00 H new ATOM 0 HB3 CYS A 370 77.929 6.718 2.578 1.00 0.00 H new ATOM 0 HG CYS A 370 77.738 6.843 5.290 1.00 0.00 H new ATOM 657 N THR A 371 75.931 7.373 -0.563 1.00 0.00 N ATOM 658 CA THR A 371 76.517 7.559 -1.888 1.00 0.00 C ATOM 659 C THR A 371 77.026 8.987 -2.060 1.00 0.00 C ATOM 660 O THR A 371 78.007 9.226 -2.765 1.00 0.00 O ATOM 661 CB THR A 371 75.504 7.215 -2.992 1.00 0.00 C ATOM 662 OG1 THR A 371 75.798 7.919 -4.186 1.00 0.00 O ATOM 663 CG2 THR A 371 74.067 7.521 -2.624 1.00 0.00 C ATOM 0 H THR A 371 74.919 7.243 -0.562 1.00 0.00 H new ATOM 0 HA THR A 371 77.363 6.878 -1.977 1.00 0.00 H new ATOM 0 HB THR A 371 75.600 6.138 -3.130 1.00 0.00 H new ATOM 0 HG1 THR A 371 75.142 7.683 -4.875 1.00 0.00 H new ATOM 0 HG21 THR A 371 73.414 7.251 -3.454 1.00 0.00 H new ATOM 0 HG22 THR A 371 73.788 6.947 -1.740 1.00 0.00 H new ATOM 0 HG23 THR A 371 73.964 8.585 -2.413 1.00 0.00 H new ATOM 671 N LYS A 372 76.355 9.932 -1.410 1.00 0.00 N ATOM 672 CA LYS A 372 76.741 11.335 -1.490 1.00 0.00 C ATOM 673 C LYS A 372 78.113 11.559 -0.859 1.00 0.00 C ATOM 674 O LYS A 372 78.848 12.463 -1.256 1.00 0.00 O ATOM 675 CB LYS A 372 75.698 12.213 -0.795 1.00 0.00 C ATOM 676 CG LYS A 372 74.318 12.134 -1.427 1.00 0.00 C ATOM 677 CD LYS A 372 74.356 12.517 -2.897 1.00 0.00 C ATOM 678 CE LYS A 372 72.965 12.505 -3.511 1.00 0.00 C ATOM 679 NZ LYS A 372 73.013 12.356 -4.992 1.00 0.00 N ATOM 0 H LYS A 372 75.541 9.751 -0.822 1.00 0.00 H new ATOM 0 HA LYS A 372 76.796 11.612 -2.543 1.00 0.00 H new ATOM 0 HB2 LYS A 372 75.626 11.918 0.252 1.00 0.00 H new ATOM 0 HB3 LYS A 372 76.038 13.249 -0.812 1.00 0.00 H new ATOM 0 HG2 LYS A 372 73.927 11.122 -1.324 1.00 0.00 H new ATOM 0 HG3 LYS A 372 73.635 12.796 -0.895 1.00 0.00 H new ATOM 0 HD2 LYS A 372 74.794 13.509 -3.005 1.00 0.00 H new ATOM 0 HD3 LYS A 372 75.000 11.824 -3.438 1.00 0.00 H new ATOM 0 HE2 LYS A 372 72.386 11.687 -3.082 1.00 0.00 H new ATOM 0 HE3 LYS A 372 72.447 13.430 -3.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 372 72.045 12.352 -5.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 372 73.544 13.150 -5.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 372 73.484 11.461 -5.236 1.00 0.00 H new ATOM 693 N GLU A 373 78.450 10.731 0.125 1.00 0.00 N ATOM 694 CA GLU A 373 79.733 10.841 0.809 1.00 0.00 C ATOM 695 C GLU A 373 80.750 9.866 0.223 1.00 0.00 C ATOM 696 O GLU A 373 81.860 10.256 -0.138 1.00 0.00 O ATOM 697 CB GLU A 373 79.560 10.575 2.306 1.00 0.00 C ATOM 698 CG GLU A 373 78.547 11.492 2.973 1.00 0.00 C ATOM 699 CD GLU A 373 78.733 11.569 4.476 1.00 0.00 C ATOM 700 OE1 GLU A 373 78.830 10.502 5.118 1.00 0.00 O ATOM 701 OE2 GLU A 373 78.782 12.696 5.011 1.00 0.00 O ATOM 0 H GLU A 373 77.853 9.978 0.466 1.00 0.00 H new ATOM 0 HA GLU A 373 80.106 11.855 0.666 1.00 0.00 H new ATOM 0 HB2 GLU A 373 79.250 9.540 2.449 1.00 0.00 H new ATOM 0 HB3 GLU A 373 80.524 10.691 2.801 1.00 0.00 H new ATOM 0 HG2 GLU A 373 78.632 12.492 2.548 1.00 0.00 H new ATOM 0 HG3 GLU A 373 77.540 11.137 2.753 1.00 0.00 H new ATOM 708 N ALA A 374 80.363 8.598 0.131 1.00 0.00 N ATOM 709 CA ALA A 374 81.242 7.568 -0.411 1.00 0.00 C ATOM 710 C ALA A 374 81.674 7.907 -1.835 1.00 0.00 C ATOM 711 O ALA A 374 80.978 8.628 -2.549 1.00 0.00 O ATOM 712 CB ALA A 374 80.552 6.212 -0.376 1.00 0.00 C ATOM 0 H ALA A 374 79.447 8.259 0.425 1.00 0.00 H new ATOM 0 HA ALA A 374 82.136 7.525 0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 374 81.220 5.453 -0.784 1.00 0.00 H new ATOM 0 HB2 ALA A 374 80.300 5.958 0.654 1.00 0.00 H new ATOM 0 HB3 ALA A 374 79.641 6.252 -0.973 1.00 0.00 H new ATOM 718 N PRO A 375 82.835 7.386 -2.269 1.00 0.00 N ATOM 719 CA PRO A 375 83.358 7.637 -3.615 1.00 0.00 C ATOM 720 C PRO A 375 82.557 6.912 -4.691 1.00 0.00 C ATOM 721 O PRO A 375 81.975 5.856 -4.439 1.00 0.00 O ATOM 722 CB PRO A 375 84.784 7.090 -3.549 1.00 0.00 C ATOM 723 CG PRO A 375 84.737 6.041 -2.493 1.00 0.00 C ATOM 724 CD PRO A 375 83.728 6.514 -1.482 1.00 0.00 C ATOM 0 HA PRO A 375 83.305 8.692 -3.884 1.00 0.00 H new ATOM 0 HB2 PRO A 375 85.093 6.674 -4.508 1.00 0.00 H new ATOM 0 HB3 PRO A 375 85.498 7.874 -3.297 1.00 0.00 H new ATOM 0 HG2 PRO A 375 84.447 5.078 -2.913 1.00 0.00 H new ATOM 0 HG3 PRO A 375 85.716 5.906 -2.033 1.00 0.00 H new ATOM 0 HD2 PRO A 375 83.185 5.680 -1.037 1.00 0.00 H new ATOM 0 HD3 PRO A 375 84.203 7.058 -0.665 1.00 0.00 H new ATOM 732 N ALA A 376 82.532 7.484 -5.890 1.00 0.00 N ATOM 733 CA ALA A 376 81.803 6.890 -7.004 1.00 0.00 C ATOM 734 C ALA A 376 82.318 5.489 -7.313 1.00 0.00 C ATOM 735 O ALA A 376 83.505 5.298 -7.577 1.00 0.00 O ATOM 736 CB ALA A 376 81.909 7.777 -8.235 1.00 0.00 C ATOM 0 H ALA A 376 83.008 8.358 -6.115 1.00 0.00 H new ATOM 0 HA ALA A 376 80.755 6.807 -6.718 1.00 0.00 H new ATOM 0 HB1 ALA A 376 81.360 7.322 -9.060 1.00 0.00 H new ATOM 0 HB2 ALA A 376 81.486 8.757 -8.015 1.00 0.00 H new ATOM 0 HB3 ALA A 376 82.957 7.888 -8.514 1.00 0.00 H new ATOM 742 N CYS A 377 81.418 4.512 -7.279 1.00 0.00 N ATOM 743 CA CYS A 377 81.782 3.127 -7.556 1.00 0.00 C ATOM 744 C CYS A 377 82.389 2.992 -8.949 1.00 0.00 C ATOM 745 O CYS A 377 81.748 3.310 -9.951 1.00 0.00 O ATOM 746 CB CYS A 377 80.555 2.221 -7.429 1.00 0.00 C ATOM 747 SG CYS A 377 80.889 0.627 -6.611 1.00 0.00 S ATOM 0 H CYS A 377 80.431 4.653 -7.062 1.00 0.00 H new ATOM 0 HA CYS A 377 82.529 2.819 -6.824 1.00 0.00 H new ATOM 0 HB2 CYS A 377 79.783 2.749 -6.870 1.00 0.00 H new ATOM 0 HB3 CYS A 377 80.153 2.029 -8.424 1.00 0.00 H new ATOM 0 HG CYS A 377 79.964 -0.228 -6.932 1.00 0.00 H new