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= -9.98 K(o=-31,f=-44!) USER MOD Set 1.2: A 359 CYS SG : rot -130:sc= -2.34 USER MOD Set 1.3: A 361 HIS : no HE2:sc= -0.385 K(o=-31,f=-36) USER MOD Set 1.4: A 362 CYS SG : rot 158:sc= -8.23! USER MOD Set 1.5: A 377 CYS SG : rot -4:sc= -9.94! USER MOD Set 2.1: A 346 CYS SG : rot 169:sc= -0.49! USER MOD Set 2.2: A 349 CYS SG : rot -80:sc= -1.7 USER MOD Set 2.3: A 367 HIS : no HD1:sc= -7.15! C(o=-9.9!,f=-21!) USER MOD Set 2.4: A 370 CYS SG : rot -59:sc= -0.603 USER MOD Single : A 337 SER OG : rot 180:sc= 0 USER MOD Single : A 338 THR OG1 : rot 180:sc= -1.79 USER MOD Single : A 339 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 340 SER OG : rot 112:sc= 0.745 USER MOD Single : A 344 GLN : amide:sc= -1.83 K(o=-1.8,f=-12!) USER MOD Single : A 347 ASN : amide:sc= -3.57 K(o=-3.6,f=-13!) USER MOD Single : A 350 GLN : amide:sc= -0.085 X(o=-0.085,f=0) USER MOD Single : A 351 LYS NZ :NH3+ -166:sc= -0.0366 (180deg=-0.302) USER MOD Single : A 352 SER OG : rot 180:sc=-0.00102 USER MOD Single : A 353 MET CE :methyl 147:sc= -0.553 (180deg=-4.63!) USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 360 LYS NZ :NH3+ 180:sc=-0.00763 (180deg=-0.00763) USER MOD Single : A 365 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 CYS SG : rot 180:sc= 0 USER MOD Single : A 368 ASN : amide:sc= 0 X(o=0,f=0.11) 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 75.025 -2.599 -11.768 1.00 0.00 N ATOM 52 CA HIS A 334 75.759 -3.597 -10.999 1.00 0.00 C ATOM 53 C HIS A 334 74.875 -4.212 -9.919 1.00 0.00 C ATOM 54 O HIS A 334 73.855 -3.638 -9.537 1.00 0.00 O ATOM 55 CB HIS A 334 77.000 -2.974 -10.363 1.00 0.00 C ATOM 56 CG HIS A 334 78.067 -2.627 -11.354 1.00 0.00 C ATOM 57 ND1 HIS A 334 79.109 -1.793 -11.027 1.00 0.00 N ATOM 58 CD2 HIS A 334 78.207 -3.027 -12.642 1.00 0.00 C ATOM 59 CE1 HIS A 334 79.856 -1.705 -12.114 1.00 0.00 C ATOM 60 NE2 HIS A 334 79.348 -2.435 -13.119 1.00 0.00 N ATOM 0 HA HIS A 334 76.069 -4.387 -11.683 1.00 0.00 H new ATOM 0 HB2 HIS A 334 76.709 -2.073 -9.824 1.00 0.00 H new ATOM 0 HB3 HIS A 334 77.409 -3.667 -9.628 1.00 0.00 H new ATOM 0 HD1 HIS A 334 79.272 -1.336 -10.130 1.00 0.00 H new ATOM 0 HD2 HIS A 334 77.547 -3.685 -13.187 1.00 0.00 H new ATOM 0 HE1 HIS A 334 80.761 -1.120 -12.184 1.00 0.00 H new ATOM 68 N ARG A 335 75.271 -5.384 -9.431 1.00 0.00 N ATOM 69 CA ARG A 335 74.509 -6.075 -8.397 1.00 0.00 C ATOM 70 C ARG A 335 75.087 -5.797 -7.013 1.00 0.00 C ATOM 71 O ARG A 335 76.221 -6.171 -6.714 1.00 0.00 O ATOM 72 CB ARG A 335 74.498 -7.581 -8.663 1.00 0.00 C ATOM 73 CG ARG A 335 74.244 -7.942 -10.118 1.00 0.00 C ATOM 74 CD ARG A 335 75.540 -8.256 -10.848 1.00 0.00 C ATOM 75 NE ARG A 335 75.888 -9.672 -10.761 1.00 0.00 N ATOM 76 CZ ARG A 335 76.790 -10.264 -11.542 1.00 0.00 C ATOM 77 NH1 ARG A 335 77.435 -9.566 -12.468 1.00 0.00 N ATOM 78 NH2 ARG A 335 77.047 -11.556 -11.396 1.00 0.00 N ATOM 0 H ARG A 335 76.113 -5.874 -9.734 1.00 0.00 H new ATOM 0 HA ARG A 335 73.486 -5.699 -8.425 1.00 0.00 H new ATOM 0 HB2 ARG A 335 75.455 -8.003 -8.355 1.00 0.00 H new ATOM 0 HB3 ARG A 335 73.731 -8.045 -8.043 1.00 0.00 H new ATOM 0 HG2 ARG A 335 73.578 -8.803 -10.169 1.00 0.00 H new ATOM 0 HG3 ARG A 335 73.736 -7.116 -10.616 1.00 0.00 H new ATOM 0 HD2 ARG A 335 75.445 -7.970 -11.895 1.00 0.00 H new ATOM 0 HD3 ARG A 335 76.348 -7.658 -10.426 1.00 0.00 H new ATOM 0 HE ARG A 335 75.412 -10.241 -10.061 1.00 0.00 H new ATOM 0 HH11 ARG A 335 77.241 -8.571 -12.584 1.00 0.00 H new ATOM 0 HH12 ARG A 335 78.125 -10.024 -13.064 1.00 0.00 H new ATOM 0 HH21 ARG A 335 76.554 -12.097 -10.686 1.00 0.00 H new ATOM 0 HH22 ARG A 335 77.738 -12.009 -11.994 1.00 0.00 H new ATOM 92 N PHE A 336 74.296 -5.138 -6.174 1.00 0.00 N ATOM 93 CA PHE A 336 74.699 -4.802 -4.831 1.00 0.00 C ATOM 94 C PHE A 336 74.152 -5.825 -3.833 1.00 0.00 C ATOM 95 O PHE A 336 73.144 -6.480 -4.097 1.00 0.00 O ATOM 96 CB PHE A 336 74.162 -3.412 -4.515 1.00 0.00 C ATOM 97 CG PHE A 336 75.202 -2.329 -4.517 1.00 0.00 C ATOM 98 CD1 PHE A 336 76.113 -2.222 -3.480 1.00 0.00 C ATOM 99 CD2 PHE A 336 75.264 -1.414 -5.556 1.00 0.00 C ATOM 100 CE1 PHE A 336 77.067 -1.222 -3.477 1.00 0.00 C ATOM 101 CE2 PHE A 336 76.215 -0.412 -5.559 1.00 0.00 C ATOM 102 CZ PHE A 336 77.118 -0.316 -4.518 1.00 0.00 C ATOM 0 H PHE A 336 73.356 -4.825 -6.415 1.00 0.00 H new ATOM 0 HA PHE A 336 75.786 -4.814 -4.752 1.00 0.00 H new ATOM 0 HB2 PHE A 336 73.391 -3.160 -5.243 1.00 0.00 H new ATOM 0 HB3 PHE A 336 73.681 -3.435 -3.537 1.00 0.00 H new ATOM 0 HD1 PHE A 336 76.078 -2.928 -2.664 1.00 0.00 H new ATOM 0 HD2 PHE A 336 74.561 -1.485 -6.373 1.00 0.00 H new ATOM 0 HE1 PHE A 336 77.772 -1.149 -2.662 1.00 0.00 H new ATOM 0 HE2 PHE A 336 76.252 0.295 -6.374 1.00 0.00 H new ATOM 0 HZ PHE A 336 77.863 0.466 -4.518 1.00 0.00 H new ATOM 112 N SER A 337 74.814 -5.956 -2.686 1.00 0.00 N ATOM 113 CA SER A 337 74.377 -6.898 -1.657 1.00 0.00 C ATOM 114 C SER A 337 74.465 -6.268 -0.270 1.00 0.00 C ATOM 115 O SER A 337 75.496 -5.713 0.101 1.00 0.00 O ATOM 116 CB SER A 337 75.226 -8.170 -1.707 1.00 0.00 C ATOM 117 OG SER A 337 74.630 -9.149 -2.542 1.00 0.00 O ATOM 0 H SER A 337 75.651 -5.425 -2.446 1.00 0.00 H new ATOM 0 HA SER A 337 73.336 -7.156 -1.854 1.00 0.00 H new ATOM 0 HB2 SER A 337 76.223 -7.931 -2.076 1.00 0.00 H new ATOM 0 HB3 SER A 337 75.346 -8.570 -0.700 1.00 0.00 H new ATOM 0 HG SER A 337 75.193 -9.951 -2.558 1.00 0.00 H new ATOM 123 N THR A 338 73.378 -6.357 0.493 1.00 0.00 N ATOM 124 CA THR A 338 73.339 -5.785 1.837 1.00 0.00 C ATOM 125 C THR A 338 73.853 -6.768 2.883 1.00 0.00 C ATOM 126 O THR A 338 73.623 -7.974 2.792 1.00 0.00 O ATOM 127 CB THR A 338 71.919 -5.349 2.198 1.00 0.00 C ATOM 128 OG1 THR A 338 71.411 -4.442 1.236 1.00 0.00 O ATOM 129 CG2 THR A 338 71.827 -4.681 3.556 1.00 0.00 C ATOM 0 H THR A 338 72.515 -6.818 0.205 1.00 0.00 H new ATOM 0 HA THR A 338 73.994 -4.914 1.834 1.00 0.00 H new ATOM 0 HB THR A 338 71.331 -6.267 2.221 1.00 0.00 H new ATOM 0 HG1 THR A 338 70.501 -4.177 1.485 1.00 0.00 H new ATOM 0 HG21 THR A 338 70.793 -4.396 3.752 1.00 0.00 H new ATOM 0 HG22 THR A 338 72.164 -5.375 4.326 1.00 0.00 H new ATOM 0 HG23 THR A 338 72.457 -3.792 3.568 1.00 0.00 H new ATOM 137 N LYS A 339 74.544 -6.230 3.882 1.00 0.00 N ATOM 138 CA LYS A 339 75.094 -7.031 4.966 1.00 0.00 C ATOM 139 C LYS A 339 75.137 -6.215 6.254 1.00 0.00 C ATOM 140 O LYS A 339 75.361 -5.002 6.222 1.00 0.00 O ATOM 141 CB LYS A 339 76.498 -7.522 4.608 1.00 0.00 C ATOM 142 CG LYS A 339 76.510 -8.873 3.910 1.00 0.00 C ATOM 143 CD LYS A 339 76.756 -10.005 4.894 1.00 0.00 C ATOM 144 CE LYS A 339 78.233 -10.144 5.225 1.00 0.00 C ATOM 145 NZ LYS A 339 78.634 -11.568 5.394 1.00 0.00 N ATOM 0 H LYS A 339 74.737 -5.232 3.962 1.00 0.00 H new ATOM 0 HA LYS A 339 74.450 -7.897 5.118 1.00 0.00 H new ATOM 0 HB2 LYS A 339 76.978 -6.785 3.964 1.00 0.00 H new ATOM 0 HB3 LYS A 339 77.094 -7.587 5.518 1.00 0.00 H new ATOM 0 HG2 LYS A 339 75.558 -9.030 3.403 1.00 0.00 H new ATOM 0 HG3 LYS A 339 77.285 -8.881 3.143 1.00 0.00 H new ATOM 0 HD2 LYS A 339 76.193 -9.822 5.809 1.00 0.00 H new ATOM 0 HD3 LYS A 339 76.387 -10.940 4.474 1.00 0.00 H new ATOM 0 HE2 LYS A 339 78.827 -9.692 4.431 1.00 0.00 H new ATOM 0 HE3 LYS A 339 78.453 -9.594 6.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 79.648 -11.619 5.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 78.086 -11.993 6.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 78.448 -12.088 4.513 1.00 0.00 H new ATOM 159 N SER A 340 74.918 -6.880 7.382 1.00 0.00 N ATOM 160 CA SER A 340 74.929 -6.209 8.677 1.00 0.00 C ATOM 161 C SER A 340 75.166 -7.205 9.808 1.00 0.00 C ATOM 162 O SER A 340 74.707 -7.002 10.932 1.00 0.00 O ATOM 163 CB SER A 340 73.609 -5.470 8.903 1.00 0.00 C ATOM 164 OG SER A 340 73.576 -4.864 10.183 1.00 0.00 O ATOM 0 H SER A 340 74.731 -7.882 7.427 1.00 0.00 H new ATOM 0 HA SER A 340 75.747 -5.489 8.676 1.00 0.00 H new ATOM 0 HB2 SER A 340 73.478 -4.709 8.134 1.00 0.00 H new ATOM 0 HB3 SER A 340 72.777 -6.167 8.806 1.00 0.00 H new ATOM 0 HG SER A 340 73.599 -3.889 10.084 1.00 0.00 H new ATOM 224 N GLN A 344 80.939 -3.289 9.872 1.00 0.00 N ATOM 225 CA GLN A 344 81.451 -2.084 10.520 1.00 0.00 C ATOM 226 C GLN A 344 80.576 -0.876 10.194 1.00 0.00 C ATOM 227 O GLN A 344 79.459 -1.022 9.697 1.00 0.00 O ATOM 228 CB GLN A 344 82.898 -1.818 10.086 1.00 0.00 C ATOM 229 CG GLN A 344 83.897 -1.879 11.230 1.00 0.00 C ATOM 230 CD GLN A 344 83.600 -0.866 12.319 1.00 0.00 C ATOM 231 OE1 GLN A 344 82.449 -0.491 12.536 1.00 0.00 O ATOM 232 NE2 GLN A 344 84.642 -0.418 13.010 1.00 0.00 N ATOM 0 HA GLN A 344 81.428 -2.244 11.598 1.00 0.00 H new ATOM 0 HB2 GLN A 344 83.181 -2.548 9.328 1.00 0.00 H new ATOM 0 HB3 GLN A 344 82.953 -0.835 9.618 1.00 0.00 H new ATOM 0 HG2 GLN A 344 83.891 -2.881 11.660 1.00 0.00 H new ATOM 0 HG3 GLN A 344 84.900 -1.705 10.841 1.00 0.00 H new ATOM 0 HE21 GLN A 344 85.580 -0.757 12.796 1.00 0.00 H new ATOM 0 HE22 GLN A 344 84.504 0.265 13.755 1.00 0.00 H new ATOM 241 N VAL A 345 81.093 0.316 10.475 1.00 0.00 N ATOM 242 CA VAL A 345 80.364 1.552 10.212 1.00 0.00 C ATOM 243 C VAL A 345 80.412 1.908 8.727 1.00 0.00 C ATOM 244 O VAL A 345 81.431 1.710 8.066 1.00 0.00 O ATOM 245 CB VAL A 345 80.937 2.723 11.037 1.00 0.00 C ATOM 246 CG1 VAL A 345 82.368 3.029 10.619 1.00 0.00 C ATOM 247 CG2 VAL A 345 80.056 3.957 10.901 1.00 0.00 C ATOM 0 H VAL A 345 82.017 0.452 10.886 1.00 0.00 H new ATOM 0 HA VAL A 345 79.328 1.386 10.507 1.00 0.00 H new ATOM 0 HB VAL A 345 80.948 2.428 12.086 1.00 0.00 H new ATOM 0 HG11 VAL A 345 82.751 3.858 11.214 1.00 0.00 H new ATOM 0 HG12 VAL A 345 82.990 2.149 10.780 1.00 0.00 H new ATOM 0 HG13 VAL A 345 82.389 3.300 9.563 1.00 0.00 H new ATOM 0 HG21 VAL A 345 80.477 4.772 11.490 1.00 0.00 H new ATOM 0 HG22 VAL A 345 80.006 4.255 9.854 1.00 0.00 H new ATOM 0 HG23 VAL A 345 79.053 3.729 11.262 1.00 0.00 H new ATOM 257 N CYS A 346 79.299 2.430 8.213 1.00 0.00 N ATOM 258 CA CYS A 346 79.193 2.819 6.804 1.00 0.00 C ATOM 259 C CYS A 346 80.482 3.474 6.300 1.00 0.00 C ATOM 260 O CYS A 346 81.147 4.203 7.036 1.00 0.00 O ATOM 261 CB CYS A 346 78.011 3.776 6.622 1.00 0.00 C ATOM 262 SG CYS A 346 77.777 4.362 4.912 1.00 0.00 S ATOM 0 H CYS A 346 78.451 2.595 8.755 1.00 0.00 H new ATOM 0 HA CYS A 346 79.030 1.916 6.215 1.00 0.00 H new ATOM 0 HB2 CYS A 346 77.100 3.276 6.950 1.00 0.00 H new ATOM 0 HB3 CYS A 346 78.153 4.639 7.273 1.00 0.00 H new ATOM 0 HG CYS A 346 76.633 4.972 4.815 1.00 0.00 H new ATOM 267 N ASN A 347 80.830 3.207 5.040 1.00 0.00 N ATOM 268 CA ASN A 347 82.041 3.771 4.443 1.00 0.00 C ATOM 269 C ASN A 347 81.750 5.078 3.709 1.00 0.00 C ATOM 270 O ASN A 347 82.459 5.445 2.772 1.00 0.00 O ATOM 271 CB ASN A 347 82.686 2.774 3.477 1.00 0.00 C ATOM 272 CG ASN A 347 83.879 2.068 4.090 1.00 0.00 C ATOM 273 OD1 ASN A 347 83.984 0.843 4.042 1.00 0.00 O ATOM 274 ND2 ASN A 347 84.788 2.841 4.674 1.00 0.00 N ATOM 0 H ASN A 347 80.292 2.606 4.415 1.00 0.00 H new ATOM 0 HA ASN A 347 82.733 3.981 5.259 1.00 0.00 H new ATOM 0 HB2 ASN A 347 81.945 2.034 3.174 1.00 0.00 H new ATOM 0 HB3 ASN A 347 83.001 3.298 2.575 1.00 0.00 H new ATOM 0 HD21 ASN A 347 85.612 2.422 5.105 1.00 0.00 H new ATOM 0 HD22 ASN A 347 84.662 3.853 4.691 1.00 0.00 H new ATOM 281 N VAL A 348 80.712 5.776 4.141 1.00 0.00 N ATOM 282 CA VAL A 348 80.332 7.043 3.528 1.00 0.00 C ATOM 283 C VAL A 348 80.057 8.106 4.587 1.00 0.00 C ATOM 284 O VAL A 348 80.848 9.032 4.770 1.00 0.00 O ATOM 285 CB VAL A 348 79.089 6.886 2.631 1.00 0.00 C ATOM 286 CG1 VAL A 348 78.805 8.177 1.879 1.00 0.00 C ATOM 287 CG2 VAL A 348 79.272 5.726 1.664 1.00 0.00 C ATOM 0 H VAL A 348 80.115 5.487 4.916 1.00 0.00 H new ATOM 0 HA VAL A 348 81.173 7.360 2.911 1.00 0.00 H new ATOM 0 HB VAL A 348 78.231 6.668 3.266 1.00 0.00 H new ATOM 0 HG11 VAL A 348 77.924 8.046 1.251 1.00 0.00 H new ATOM 0 HG12 VAL A 348 78.626 8.982 2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 348 79.661 8.430 1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 348 78.384 5.630 1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 348 80.142 5.911 1.034 1.00 0.00 H new ATOM 0 HG23 VAL A 348 79.421 4.804 2.226 1.00 0.00 H new ATOM 297 N CYS A 349 78.933 7.968 5.283 1.00 0.00 N ATOM 298 CA CYS A 349 78.557 8.918 6.325 1.00 0.00 C ATOM 299 C CYS A 349 79.098 8.483 7.685 1.00 0.00 C ATOM 300 O CYS A 349 79.245 9.302 8.592 1.00 0.00 O ATOM 301 CB CYS A 349 77.036 9.061 6.388 1.00 0.00 C ATOM 302 SG CYS A 349 76.153 7.500 6.706 1.00 0.00 S ATOM 0 H CYS A 349 78.267 7.208 5.145 1.00 0.00 H new ATOM 0 HA CYS A 349 78.996 9.884 6.075 1.00 0.00 H new ATOM 0 HB2 CYS A 349 76.781 9.776 7.171 1.00 0.00 H new ATOM 0 HB3 CYS A 349 76.682 9.480 5.446 1.00 0.00 H new ATOM 0 HG CYS A 349 76.052 6.826 5.599 1.00 0.00 H new ATOM 307 N GLN A 350 79.391 7.189 7.818 1.00 0.00 N ATOM 308 CA GLN A 350 79.917 6.631 9.065 1.00 0.00 C ATOM 309 C GLN A 350 79.166 7.165 10.283 1.00 0.00 C ATOM 310 O GLN A 350 79.481 8.236 10.802 1.00 0.00 O ATOM 311 CB GLN A 350 81.415 6.927 9.199 1.00 0.00 C ATOM 312 CG GLN A 350 81.783 8.383 8.958 1.00 0.00 C ATOM 313 CD GLN A 350 83.252 8.661 9.211 1.00 0.00 C ATOM 314 OE1 GLN A 350 83.603 9.577 9.955 1.00 0.00 O ATOM 315 NE2 GLN A 350 84.119 7.871 8.589 1.00 0.00 N ATOM 0 H GLN A 350 79.272 6.503 7.072 1.00 0.00 H new ATOM 0 HA GLN A 350 79.770 5.552 9.026 1.00 0.00 H new ATOM 0 HB2 GLN A 350 81.743 6.641 10.198 1.00 0.00 H new ATOM 0 HB3 GLN A 350 81.963 6.303 8.493 1.00 0.00 H new ATOM 0 HG2 GLN A 350 81.538 8.651 7.930 1.00 0.00 H new ATOM 0 HG3 GLN A 350 81.180 9.019 9.606 1.00 0.00 H new ATOM 0 HE21 GLN A 350 83.783 7.124 7.981 1.00 0.00 H new ATOM 0 HE22 GLN A 350 85.121 8.011 8.719 1.00 0.00 H new ATOM 324 N LYS A 351 78.173 6.406 10.737 1.00 0.00 N ATOM 325 CA LYS A 351 77.377 6.798 11.895 1.00 0.00 C ATOM 326 C LYS A 351 76.979 5.577 12.719 1.00 0.00 C ATOM 327 O LYS A 351 77.275 4.442 12.347 1.00 0.00 O ATOM 328 CB LYS A 351 76.126 7.556 11.448 1.00 0.00 C ATOM 329 CG LYS A 351 76.430 8.814 10.651 1.00 0.00 C ATOM 330 CD LYS A 351 75.374 9.884 10.875 1.00 0.00 C ATOM 331 CE LYS A 351 75.578 11.071 9.948 1.00 0.00 C ATOM 332 NZ LYS A 351 76.992 11.539 9.947 1.00 0.00 N ATOM 0 H LYS A 351 77.900 5.516 10.320 1.00 0.00 H new ATOM 0 HA LYS A 351 77.986 7.453 12.519 1.00 0.00 H new ATOM 0 HB2 LYS A 351 75.506 6.894 10.843 1.00 0.00 H new ATOM 0 HB3 LYS A 351 75.541 7.825 12.327 1.00 0.00 H new ATOM 0 HG2 LYS A 351 77.408 9.201 10.938 1.00 0.00 H new ATOM 0 HG3 LYS A 351 76.483 8.570 9.590 1.00 0.00 H new ATOM 0 HD2 LYS A 351 74.384 9.459 10.711 1.00 0.00 H new ATOM 0 HD3 LYS A 351 75.409 10.220 11.911 1.00 0.00 H new ATOM 0 HE2 LYS A 351 75.287 10.794 8.935 1.00 0.00 H new ATOM 0 HE3 LYS A 351 74.925 11.888 10.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 77.047 12.477 9.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 77.338 11.601 10.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 77.580 10.867 9.414 1.00 0.00 H new ATOM 346 N SER A 352 76.305 5.818 13.840 1.00 0.00 N ATOM 347 CA SER A 352 75.865 4.737 14.716 1.00 0.00 C ATOM 348 C SER A 352 74.894 3.811 13.991 1.00 0.00 C ATOM 349 O SER A 352 73.678 3.966 14.095 1.00 0.00 O ATOM 350 CB SER A 352 75.203 5.307 15.971 1.00 0.00 C ATOM 351 OG SER A 352 74.501 4.301 16.680 1.00 0.00 O ATOM 0 H SER A 352 76.052 6.752 14.163 1.00 0.00 H new ATOM 0 HA SER A 352 76.742 4.159 15.007 1.00 0.00 H new ATOM 0 HB2 SER A 352 75.962 5.749 16.617 1.00 0.00 H new ATOM 0 HB3 SER A 352 74.516 6.106 15.692 1.00 0.00 H new ATOM 0 HG SER A 352 74.088 4.691 17.479 1.00 0.00 H new ATOM 357 N MET A 353 75.441 2.850 13.253 1.00 0.00 N ATOM 358 CA MET A 353 74.625 1.900 12.504 1.00 0.00 C ATOM 359 C MET A 353 75.509 0.899 11.775 1.00 0.00 C ATOM 360 O MET A 353 76.709 1.124 11.616 1.00 0.00 O ATOM 361 CB MET A 353 73.736 2.632 11.491 1.00 0.00 C ATOM 362 CG MET A 353 74.394 3.846 10.850 1.00 0.00 C ATOM 363 SD MET A 353 73.203 5.118 10.390 1.00 0.00 S ATOM 364 CE MET A 353 73.136 6.080 11.899 1.00 0.00 C ATOM 0 H MET A 353 76.447 2.708 13.157 1.00 0.00 H new ATOM 0 HA MET A 353 73.991 1.368 13.213 1.00 0.00 H new ATOM 0 HB2 MET A 353 73.446 1.933 10.707 1.00 0.00 H new ATOM 0 HB3 MET A 353 72.820 2.949 11.990 1.00 0.00 H new ATOM 0 HG2 MET A 353 75.122 4.268 11.543 1.00 0.00 H new ATOM 0 HG3 MET A 353 74.944 3.531 9.963 1.00 0.00 H new ATOM 0 HE1 MET A 353 72.966 7.129 11.655 1.00 0.00 H new ATOM 0 HE2 MET A 353 72.322 5.717 12.526 1.00 0.00 H new ATOM 0 HE3 MET A 353 74.080 5.981 12.436 1.00 0.00 H new ATOM 374 N ILE A 354 74.904 -0.169 11.265 1.00 0.00 N ATOM 375 CA ILE A 354 75.621 -1.127 10.495 1.00 0.00 C ATOM 376 C ILE A 354 74.752 -1.564 9.356 1.00 0.00 C ATOM 377 O ILE A 354 73.991 -2.529 9.415 1.00 0.00 O ATOM 378 CB ILE A 354 76.027 -2.349 11.313 1.00 0.00 C ATOM 379 CG1 ILE A 354 77.013 -1.935 12.400 1.00 0.00 C ATOM 380 CG2 ILE A 354 76.624 -3.429 10.416 1.00 0.00 C ATOM 381 CD1 ILE A 354 76.370 -1.717 13.752 1.00 0.00 C ATOM 0 H ILE A 354 73.912 -0.376 11.383 1.00 0.00 H new ATOM 0 HA ILE A 354 76.538 -0.657 10.140 1.00 0.00 H new ATOM 0 HB ILE A 354 75.139 -2.768 11.786 1.00 0.00 H new ATOM 0 HG12 ILE A 354 77.782 -2.702 12.492 1.00 0.00 H new ATOM 0 HG13 ILE A 354 77.514 -1.017 12.093 1.00 0.00 H new ATOM 0 HG21 ILE A 354 76.906 -4.290 11.022 1.00 0.00 H new ATOM 0 HG22 ILE A 354 75.887 -3.733 9.673 1.00 0.00 H new ATOM 0 HG23 ILE A 354 77.507 -3.036 9.911 1.00 0.00 H new ATOM 0 HD11 ILE A 354 77.132 -1.425 14.474 1.00 0.00 H new ATOM 0 HD12 ILE A 354 75.621 -0.929 13.676 1.00 0.00 H new ATOM 0 HD13 ILE A 354 75.893 -2.640 14.081 1.00 0.00 H new ATOM 393 N PHE A 355 74.954 -0.844 8.329 1.00 0.00 N ATOM 394 CA PHE A 355 74.303 -1.054 7.047 1.00 0.00 C ATOM 395 C PHE A 355 75.321 -0.847 5.938 1.00 0.00 C ATOM 396 O PHE A 355 75.902 0.234 5.829 1.00 0.00 O ATOM 397 CB PHE A 355 73.125 -0.093 6.875 1.00 0.00 C ATOM 398 CG PHE A 355 71.817 -0.653 7.357 1.00 0.00 C ATOM 399 CD1 PHE A 355 71.415 -1.926 6.985 1.00 0.00 C ATOM 400 CD2 PHE A 355 70.991 0.093 8.182 1.00 0.00 C ATOM 401 CE1 PHE A 355 70.213 -2.445 7.427 1.00 0.00 C ATOM 402 CE2 PHE A 355 69.787 -0.421 8.627 1.00 0.00 C ATOM 403 CZ PHE A 355 69.398 -1.691 8.249 1.00 0.00 C ATOM 0 H PHE A 355 75.598 -0.053 8.329 1.00 0.00 H new ATOM 0 HA PHE A 355 73.914 -2.071 7.002 1.00 0.00 H new ATOM 0 HB2 PHE A 355 73.337 0.829 7.416 1.00 0.00 H new ATOM 0 HB3 PHE A 355 73.032 0.170 5.821 1.00 0.00 H new ATOM 0 HD1 PHE A 355 72.048 -2.519 6.342 1.00 0.00 H new ATOM 0 HD2 PHE A 355 71.291 1.087 8.481 1.00 0.00 H new ATOM 0 HE1 PHE A 355 69.911 -3.439 7.130 1.00 0.00 H new ATOM 0 HE2 PHE A 355 69.151 0.170 9.270 1.00 0.00 H new ATOM 0 HZ PHE A 355 68.458 -2.094 8.596 1.00 0.00 H new ATOM 413 N GLY A 356 75.553 -1.863 5.120 1.00 0.00 N ATOM 414 CA GLY A 356 76.523 -1.702 4.059 1.00 0.00 C ATOM 415 C GLY A 356 76.281 -2.576 2.857 1.00 0.00 C ATOM 416 O GLY A 356 76.379 -3.799 2.928 1.00 0.00 O ATOM 0 H GLY A 356 75.099 -2.775 5.169 1.00 0.00 H new ATOM 0 HA2 GLY A 356 76.525 -0.660 3.740 1.00 0.00 H new ATOM 0 HA3 GLY A 356 77.516 -1.916 4.455 1.00 0.00 H new ATOM 420 N VAL A 357 76.023 -1.932 1.738 1.00 0.00 N ATOM 421 CA VAL A 357 75.826 -2.631 0.481 1.00 0.00 C ATOM 422 C VAL A 357 77.069 -2.443 -0.371 1.00 0.00 C ATOM 423 O VAL A 357 77.598 -1.335 -0.461 1.00 0.00 O ATOM 424 CB VAL A 357 74.591 -2.121 -0.287 1.00 0.00 C ATOM 425 CG1 VAL A 357 73.319 -2.728 0.284 1.00 0.00 C ATOM 426 CG2 VAL A 357 74.525 -0.604 -0.254 1.00 0.00 C ATOM 0 H VAL A 357 75.944 -0.917 1.671 1.00 0.00 H new ATOM 0 HA VAL A 357 75.654 -3.685 0.699 1.00 0.00 H new ATOM 0 HB VAL A 357 74.682 -2.433 -1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 357 72.458 -2.356 -0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 357 73.364 -3.814 0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 357 73.222 -2.450 1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 357 73.646 -0.266 -0.802 1.00 0.00 H new ATOM 0 HG22 VAL A 357 74.461 -0.265 0.780 1.00 0.00 H new ATOM 0 HG23 VAL A 357 75.422 -0.191 -0.716 1.00 0.00 H new ATOM 436 N LYS A 358 77.562 -3.519 -0.965 1.00 0.00 N ATOM 437 CA LYS A 358 78.771 -3.429 -1.765 1.00 0.00 C ATOM 438 C LYS A 358 78.565 -3.903 -3.196 1.00 0.00 C ATOM 439 O LYS A 358 77.876 -4.891 -3.452 1.00 0.00 O ATOM 440 CB LYS A 358 79.899 -4.230 -1.107 1.00 0.00 C ATOM 441 CG LYS A 358 79.760 -5.736 -1.272 1.00 0.00 C ATOM 442 CD LYS A 358 79.843 -6.457 0.064 1.00 0.00 C ATOM 443 CE LYS A 358 80.609 -7.765 -0.055 1.00 0.00 C ATOM 444 NZ LYS A 358 79.696 -8.933 -0.196 1.00 0.00 N ATOM 0 H LYS A 358 77.150 -4.451 -0.909 1.00 0.00 H new ATOM 0 HA LYS A 358 79.043 -2.375 -1.812 1.00 0.00 H new ATOM 0 HB2 LYS A 358 80.852 -3.914 -1.531 1.00 0.00 H new ATOM 0 HB3 LYS A 358 79.929 -3.992 -0.044 1.00 0.00 H new ATOM 0 HG2 LYS A 358 78.807 -5.964 -1.750 1.00 0.00 H new ATOM 0 HG3 LYS A 358 80.544 -6.104 -1.934 1.00 0.00 H new ATOM 0 HD2 LYS A 358 80.331 -5.814 0.796 1.00 0.00 H new ATOM 0 HD3 LYS A 358 78.837 -6.656 0.435 1.00 0.00 H new ATOM 0 HE2 LYS A 358 81.275 -7.719 -0.917 1.00 0.00 H new ATOM 0 HE3 LYS A 358 81.237 -7.899 0.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 358 80.257 -9.805 -0.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 358 79.078 -8.993 0.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 358 79.114 -8.818 -1.050 1.00 0.00 H new ATOM 458 N CYS A 359 79.205 -3.196 -4.116 1.00 0.00 N ATOM 459 CA CYS A 359 79.152 -3.528 -5.526 1.00 0.00 C ATOM 460 C CYS A 359 80.356 -4.386 -5.868 1.00 0.00 C ATOM 461 O CYS A 359 81.454 -4.123 -5.392 1.00 0.00 O ATOM 462 CB CYS A 359 79.161 -2.257 -6.381 1.00 0.00 C ATOM 463 SG CYS A 359 79.261 -2.569 -8.174 1.00 0.00 S ATOM 0 H CYS A 359 79.774 -2.377 -3.903 1.00 0.00 H new ATOM 0 HA CYS A 359 78.231 -4.072 -5.735 1.00 0.00 H new ATOM 0 HB2 CYS A 359 78.257 -1.685 -6.172 1.00 0.00 H new ATOM 0 HB3 CYS A 359 80.007 -1.637 -6.083 1.00 0.00 H new ATOM 0 HG CYS A 359 80.205 -1.839 -8.690 1.00 0.00 H new ATOM 468 N LYS A 360 80.151 -5.413 -6.672 1.00 0.00 N ATOM 469 CA LYS A 360 81.192 -6.301 -7.062 1.00 0.00 C ATOM 470 C LYS A 360 82.027 -5.681 -8.149 1.00 0.00 C ATOM 471 O LYS A 360 83.216 -5.406 -7.982 1.00 0.00 O ATOM 472 CB LYS A 360 80.501 -7.528 -7.587 1.00 0.00 C ATOM 473 CG LYS A 360 79.996 -8.449 -6.508 1.00 0.00 C ATOM 474 CD LYS A 360 79.596 -7.655 -5.278 1.00 0.00 C ATOM 475 CE LYS A 360 79.078 -8.537 -4.162 1.00 0.00 C ATOM 476 NZ LYS A 360 77.605 -8.737 -4.244 1.00 0.00 N ATOM 0 H LYS A 360 79.240 -5.643 -7.069 1.00 0.00 H new ATOM 0 HA LYS A 360 81.856 -6.531 -6.229 1.00 0.00 H new ATOM 0 HB2 LYS A 360 79.662 -7.222 -8.212 1.00 0.00 H new ATOM 0 HB3 LYS A 360 81.192 -8.077 -8.227 1.00 0.00 H new ATOM 0 HG2 LYS A 360 79.141 -9.016 -6.876 1.00 0.00 H new ATOM 0 HG3 LYS A 360 80.769 -9.171 -6.247 1.00 0.00 H new ATOM 0 HD2 LYS A 360 80.456 -7.088 -4.920 1.00 0.00 H new ATOM 0 HD3 LYS A 360 78.828 -6.931 -5.551 1.00 0.00 H new ATOM 0 HE2 LYS A 360 79.578 -9.505 -4.204 1.00 0.00 H new ATOM 0 HE3 LYS A 360 79.330 -8.090 -3.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 360 77.293 -9.347 -3.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 360 77.125 -7.817 -4.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 360 77.366 -9.188 -5.150 1.00 0.00 H new ATOM 490 N HIS A 361 81.366 -5.464 -9.265 1.00 0.00 N ATOM 491 CA HIS A 361 81.996 -4.861 -10.439 1.00 0.00 C ATOM 492 C HIS A 361 82.881 -3.670 -10.053 1.00 0.00 C ATOM 493 O HIS A 361 83.826 -3.336 -10.767 1.00 0.00 O ATOM 494 CB HIS A 361 80.929 -4.413 -11.438 1.00 0.00 C ATOM 495 CG HIS A 361 80.360 -5.536 -12.249 1.00 0.00 C ATOM 496 ND1 HIS A 361 79.943 -5.386 -13.555 1.00 0.00 N ATOM 497 CD2 HIS A 361 80.139 -6.834 -11.933 1.00 0.00 C ATOM 498 CE1 HIS A 361 79.490 -6.542 -14.006 1.00 0.00 C ATOM 499 NE2 HIS A 361 79.599 -7.437 -13.042 1.00 0.00 N ATOM 0 H HIS A 361 80.381 -5.696 -9.393 1.00 0.00 H new ATOM 0 HA HIS A 361 82.631 -5.618 -10.900 1.00 0.00 H new ATOM 0 HB2 HIS A 361 80.121 -3.920 -10.898 1.00 0.00 H new ATOM 0 HB3 HIS A 361 81.361 -3.672 -12.111 1.00 0.00 H new ATOM 0 HD1 HIS A 361 79.979 -4.518 -14.089 1.00 0.00 H new ATOM 0 HD2 HIS A 361 80.349 -7.307 -10.985 1.00 0.00 H new ATOM 0 HE1 HIS A 361 79.097 -6.724 -14.995 1.00 0.00 H new ATOM 508 N CYS A 362 82.570 -3.032 -8.923 1.00 0.00 N ATOM 509 CA CYS A 362 83.340 -1.882 -8.455 1.00 0.00 C ATOM 510 C CYS A 362 84.050 -2.186 -7.134 1.00 0.00 C ATOM 511 O CYS A 362 85.134 -1.667 -6.870 1.00 0.00 O ATOM 512 CB CYS A 362 82.425 -0.669 -8.283 1.00 0.00 C ATOM 513 SG CYS A 362 81.484 -0.227 -9.780 1.00 0.00 S ATOM 0 H CYS A 362 81.792 -3.293 -8.317 1.00 0.00 H new ATOM 0 HA CYS A 362 84.098 -1.661 -9.206 1.00 0.00 H new ATOM 0 HB2 CYS A 362 81.724 -0.868 -7.472 1.00 0.00 H new ATOM 0 HB3 CYS A 362 83.028 0.187 -7.980 1.00 0.00 H new ATOM 0 HG CYS A 362 80.431 0.457 -9.444 1.00 0.00 H new ATOM 518 N ARG A 363 83.429 -3.025 -6.308 1.00 0.00 N ATOM 519 CA ARG A 363 83.995 -3.396 -5.011 1.00 0.00 C ATOM 520 C ARG A 363 84.047 -2.188 -4.072 1.00 0.00 C ATOM 521 O ARG A 363 85.123 -1.676 -3.762 1.00 0.00 O ATOM 522 CB ARG A 363 85.398 -3.985 -5.189 1.00 0.00 C ATOM 523 CG ARG A 363 85.429 -5.504 -5.152 1.00 0.00 C ATOM 524 CD ARG A 363 85.133 -6.033 -3.758 1.00 0.00 C ATOM 525 NE ARG A 363 85.690 -7.368 -3.550 1.00 0.00 N ATOM 526 CZ ARG A 363 85.152 -8.481 -4.044 1.00 0.00 C ATOM 527 NH1 ARG A 363 84.046 -8.424 -4.775 1.00 0.00 N ATOM 528 NH2 ARG A 363 85.722 -9.654 -3.807 1.00 0.00 N ATOM 0 H ARG A 363 82.531 -3.463 -6.514 1.00 0.00 H new ATOM 0 HA ARG A 363 83.349 -4.152 -4.564 1.00 0.00 H new ATOM 0 HB2 ARG A 363 85.808 -3.645 -6.140 1.00 0.00 H new ATOM 0 HB3 ARG A 363 86.048 -3.597 -4.405 1.00 0.00 H new ATOM 0 HG2 ARG A 363 84.698 -5.901 -5.856 1.00 0.00 H new ATOM 0 HG3 ARG A 363 86.408 -5.857 -5.476 1.00 0.00 H new ATOM 0 HD2 ARG A 363 85.544 -5.349 -3.016 1.00 0.00 H new ATOM 0 HD3 ARG A 363 84.055 -6.062 -3.602 1.00 0.00 H new ATOM 0 HE ARG A 363 86.541 -7.452 -2.994 1.00 0.00 H new ATOM 0 HH11 ARG A 363 83.603 -7.524 -4.961 1.00 0.00 H new ATOM 0 HH12 ARG A 363 83.638 -9.280 -5.151 1.00 0.00 H new ATOM 0 HH21 ARG A 363 86.573 -9.704 -3.246 1.00 0.00 H new ATOM 0 HH22 ARG A 363 85.310 -10.507 -4.185 1.00 0.00 H new ATOM 542 N LEU A 364 82.876 -1.736 -3.628 1.00 0.00 N ATOM 543 CA LEU A 364 82.784 -0.584 -2.728 1.00 0.00 C ATOM 544 C LEU A 364 81.608 -0.743 -1.767 1.00 0.00 C ATOM 545 O LEU A 364 80.487 -0.990 -2.198 1.00 0.00 O ATOM 546 CB LEU A 364 82.614 0.699 -3.542 1.00 0.00 C ATOM 547 CG LEU A 364 83.405 1.904 -3.029 1.00 0.00 C ATOM 548 CD1 LEU A 364 84.806 1.914 -3.619 1.00 0.00 C ATOM 549 CD2 LEU A 364 82.676 3.198 -3.360 1.00 0.00 C ATOM 0 H LEU A 364 81.977 -2.149 -3.876 1.00 0.00 H new ATOM 0 HA LEU A 364 83.704 -0.526 -2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 364 82.913 0.500 -4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 364 81.556 0.961 -3.562 1.00 0.00 H new ATOM 0 HG LEU A 364 83.491 1.824 -1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 364 85.353 2.778 -3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 364 85.328 1.001 -3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 364 84.743 1.970 -4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 364 83.252 4.045 -2.988 1.00 0.00 H new ATOM 0 HD22 LEU A 364 82.560 3.284 -4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 364 81.693 3.193 -2.889 1.00 0.00 H new ATOM 561 N LYS A 365 81.857 -0.598 -0.465 1.00 0.00 N ATOM 562 CA LYS A 365 80.792 -0.738 0.521 1.00 0.00 C ATOM 563 C LYS A 365 80.235 0.619 0.936 1.00 0.00 C ATOM 564 O LYS A 365 80.984 1.545 1.248 1.00 0.00 O ATOM 565 CB LYS A 365 81.293 -1.505 1.747 1.00 0.00 C ATOM 566 CG LYS A 365 82.307 -0.739 2.578 1.00 0.00 C ATOM 567 CD LYS A 365 82.995 -1.645 3.588 1.00 0.00 C ATOM 568 CE LYS A 365 84.401 -2.014 3.140 1.00 0.00 C ATOM 569 NZ LYS A 365 84.422 -3.290 2.373 1.00 0.00 N ATOM 0 H LYS A 365 82.775 -0.386 -0.075 1.00 0.00 H new ATOM 0 HA LYS A 365 79.984 -1.304 0.058 1.00 0.00 H new ATOM 0 HB2 LYS A 365 80.441 -1.761 2.377 1.00 0.00 H new ATOM 0 HB3 LYS A 365 81.741 -2.443 1.419 1.00 0.00 H new ATOM 0 HG2 LYS A 365 83.053 -0.291 1.922 1.00 0.00 H new ATOM 0 HG3 LYS A 365 81.809 0.078 3.100 1.00 0.00 H new ATOM 0 HD2 LYS A 365 83.040 -1.145 4.555 1.00 0.00 H new ATOM 0 HD3 LYS A 365 82.406 -2.552 3.725 1.00 0.00 H new ATOM 0 HE2 LYS A 365 84.807 -1.213 2.523 1.00 0.00 H new ATOM 0 HE3 LYS A 365 85.048 -2.104 4.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 85.398 -3.506 2.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 84.058 -4.060 2.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 83.825 -3.196 1.527 1.00 0.00 H new ATOM 583 N CYS A 366 78.911 0.723 0.932 1.00 0.00 N ATOM 584 CA CYS A 366 78.230 1.957 1.302 1.00 0.00 C ATOM 585 C CYS A 366 76.811 1.660 1.776 1.00 0.00 C ATOM 586 O CYS A 366 76.254 0.611 1.463 1.00 0.00 O ATOM 587 CB CYS A 366 78.195 2.923 0.117 1.00 0.00 C ATOM 588 SG CYS A 366 77.275 2.305 -1.312 1.00 0.00 S ATOM 0 H CYS A 366 78.284 -0.039 0.674 1.00 0.00 H new ATOM 0 HA CYS A 366 78.782 2.423 2.118 1.00 0.00 H new ATOM 0 HB2 CYS A 366 77.751 3.864 0.442 1.00 0.00 H new ATOM 0 HB3 CYS A 366 79.218 3.142 -0.190 1.00 0.00 H new ATOM 0 HG CYS A 366 77.300 3.193 -2.261 1.00 0.00 H new ATOM 594 N HIS A 367 76.229 2.590 2.529 1.00 0.00 N ATOM 595 CA HIS A 367 74.868 2.426 3.042 1.00 0.00 C ATOM 596 C HIS A 367 73.921 1.967 1.937 1.00 0.00 C ATOM 597 O HIS A 367 74.304 1.906 0.769 1.00 0.00 O ATOM 598 CB HIS A 367 74.365 3.746 3.628 1.00 0.00 C ATOM 599 CG HIS A 367 74.439 3.813 5.120 1.00 0.00 C ATOM 600 ND1 HIS A 367 75.170 4.786 5.753 1.00 0.00 N ATOM 601 CD2 HIS A 367 73.857 3.019 6.050 1.00 0.00 C ATOM 602 CE1 HIS A 367 75.019 4.568 7.047 1.00 0.00 C ATOM 603 NE2 HIS A 367 74.231 3.506 7.276 1.00 0.00 N ATOM 0 H HIS A 367 76.677 3.466 2.798 1.00 0.00 H new ATOM 0 HA HIS A 367 74.890 1.665 3.822 1.00 0.00 H new ATOM 0 HB2 HIS A 367 74.949 4.565 3.208 1.00 0.00 H new ATOM 0 HB3 HIS A 367 73.331 3.900 3.318 1.00 0.00 H new ATOM 0 HD2 HIS A 367 73.221 2.167 5.862 1.00 0.00 H new ATOM 0 HE1 HIS A 367 75.472 5.168 7.822 1.00 0.00 H new ATOM 0 HE2 HIS A 367 73.962 3.133 8.187 1.00 0.00 H new ATOM 611 N ASN A 368 72.678 1.659 2.311 1.00 0.00 N ATOM 612 CA ASN A 368 71.669 1.217 1.346 1.00 0.00 C ATOM 613 C ASN A 368 71.770 2.021 0.053 1.00 0.00 C ATOM 614 O ASN A 368 71.518 1.506 -1.036 1.00 0.00 O ATOM 615 CB ASN A 368 70.267 1.359 1.941 1.00 0.00 C ATOM 616 CG ASN A 368 69.342 0.236 1.516 1.00 0.00 C ATOM 617 OD1 ASN A 368 69.188 -0.040 0.326 1.00 0.00 O ATOM 618 ND2 ASN A 368 68.720 -0.420 2.489 1.00 0.00 N ATOM 0 H ASN A 368 72.346 1.707 3.274 1.00 0.00 H new ATOM 0 HA ASN A 368 71.853 0.167 1.118 1.00 0.00 H new ATOM 0 HB2 ASN A 368 70.337 1.376 3.029 1.00 0.00 H new ATOM 0 HB3 ASN A 368 69.840 2.314 1.634 1.00 0.00 H new ATOM 0 HD21 ASN A 368 68.085 -1.186 2.263 1.00 0.00 H new ATOM 0 HD22 ASN A 368 68.877 -0.158 3.462 1.00 0.00 H new ATOM 625 N LYS A 369 72.158 3.285 0.189 1.00 0.00 N ATOM 626 CA LYS A 369 72.319 4.170 -0.954 1.00 0.00 C ATOM 627 C LYS A 369 72.822 5.538 -0.501 1.00 0.00 C ATOM 628 O LYS A 369 72.077 6.517 -0.484 1.00 0.00 O ATOM 629 CB LYS A 369 71.004 4.305 -1.723 1.00 0.00 C ATOM 630 CG LYS A 369 71.162 4.077 -3.216 1.00 0.00 C ATOM 631 CD LYS A 369 71.507 2.628 -3.527 1.00 0.00 C ATOM 632 CE LYS A 369 71.562 2.378 -5.025 1.00 0.00 C ATOM 633 NZ LYS A 369 72.858 2.812 -5.614 1.00 0.00 N ATOM 0 H LYS A 369 72.368 3.720 1.088 1.00 0.00 H new ATOM 0 HA LYS A 369 73.060 3.735 -1.624 1.00 0.00 H new ATOM 0 HB2 LYS A 369 70.283 3.590 -1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 369 70.592 5.300 -1.555 1.00 0.00 H new ATOM 0 HG2 LYS A 369 70.238 4.349 -3.726 1.00 0.00 H new ATOM 0 HG3 LYS A 369 71.944 4.729 -3.604 1.00 0.00 H new ATOM 0 HD2 LYS A 369 72.469 2.378 -3.080 1.00 0.00 H new ATOM 0 HD3 LYS A 369 70.764 1.971 -3.074 1.00 0.00 H new ATOM 0 HE2 LYS A 369 71.412 1.316 -5.221 1.00 0.00 H new ATOM 0 HE3 LYS A 369 70.745 2.911 -5.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 369 72.855 2.624 -6.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 369 72.990 3.830 -5.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 369 73.636 2.285 -5.168 1.00 0.00 H new ATOM 647 N CYS A 370 74.098 5.587 -0.132 1.00 0.00 N ATOM 648 CA CYS A 370 74.725 6.822 0.328 1.00 0.00 C ATOM 649 C CYS A 370 75.483 7.501 -0.809 1.00 0.00 C ATOM 650 O CYS A 370 76.449 8.229 -0.578 1.00 0.00 O ATOM 651 CB CYS A 370 75.680 6.525 1.488 1.00 0.00 C ATOM 652 SG CYS A 370 75.132 7.181 3.100 1.00 0.00 S ATOM 0 H CYS A 370 74.722 4.780 -0.143 1.00 0.00 H new ATOM 0 HA CYS A 370 73.941 7.497 0.672 1.00 0.00 H new ATOM 0 HB2 CYS A 370 75.806 5.446 1.572 1.00 0.00 H new ATOM 0 HB3 CYS A 370 76.659 6.943 1.253 1.00 0.00 H new ATOM 0 HG CYS A 370 75.005 8.472 3.022 1.00 0.00 H new ATOM 657 N THR A 371 75.040 7.253 -2.036 1.00 0.00 N ATOM 658 CA THR A 371 75.673 7.834 -3.215 1.00 0.00 C ATOM 659 C THR A 371 75.721 9.356 -3.119 1.00 0.00 C ATOM 660 O THR A 371 76.634 9.992 -3.645 1.00 0.00 O ATOM 661 CB THR A 371 74.921 7.416 -4.480 1.00 0.00 C ATOM 662 OG1 THR A 371 73.650 8.039 -4.536 1.00 0.00 O ATOM 663 CG2 THR A 371 74.704 5.922 -4.581 1.00 0.00 C ATOM 0 H THR A 371 74.242 6.651 -2.241 1.00 0.00 H new ATOM 0 HA THR A 371 76.696 7.461 -3.266 1.00 0.00 H new ATOM 0 HB THR A 371 75.553 7.732 -5.310 1.00 0.00 H new ATOM 0 HG1 THR A 371 73.185 7.761 -5.353 1.00 0.00 H new ATOM 0 HG21 THR A 371 74.165 5.694 -5.501 1.00 0.00 H new ATOM 0 HG22 THR A 371 75.668 5.414 -4.590 1.00 0.00 H new ATOM 0 HG23 THR A 371 74.122 5.580 -3.725 1.00 0.00 H new ATOM 671 N LYS A 372 74.734 9.935 -2.444 1.00 0.00 N ATOM 672 CA LYS A 372 74.669 11.382 -2.281 1.00 0.00 C ATOM 673 C LYS A 372 75.870 11.898 -1.491 1.00 0.00 C ATOM 674 O LYS A 372 76.238 13.068 -1.598 1.00 0.00 O ATOM 675 CB LYS A 372 73.371 11.779 -1.575 1.00 0.00 C ATOM 676 CG LYS A 372 73.114 11.003 -0.294 1.00 0.00 C ATOM 677 CD LYS A 372 72.122 9.872 -0.516 1.00 0.00 C ATOM 678 CE LYS A 372 70.719 10.270 -0.088 1.00 0.00 C ATOM 679 NZ LYS A 372 69.759 9.138 -0.208 1.00 0.00 N ATOM 0 H LYS A 372 73.969 9.425 -2.002 1.00 0.00 H new ATOM 0 HA LYS A 372 74.689 11.834 -3.273 1.00 0.00 H new ATOM 0 HB2 LYS A 372 73.403 12.844 -1.345 1.00 0.00 H new ATOM 0 HB3 LYS A 372 72.535 11.626 -2.257 1.00 0.00 H new ATOM 0 HG2 LYS A 372 74.053 10.596 0.081 1.00 0.00 H new ATOM 0 HG3 LYS A 372 72.732 11.679 0.471 1.00 0.00 H new ATOM 0 HD2 LYS A 372 72.117 9.593 -1.570 1.00 0.00 H new ATOM 0 HD3 LYS A 372 72.439 8.993 0.045 1.00 0.00 H new ATOM 0 HE2 LYS A 372 70.740 10.620 0.944 1.00 0.00 H new ATOM 0 HE3 LYS A 372 70.375 11.104 -0.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 372 68.814 9.451 0.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 372 69.719 8.820 -1.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 372 70.072 8.352 0.396 1.00 0.00 H new ATOM 693 N GLU A 373 76.478 11.019 -0.698 1.00 0.00 N ATOM 694 CA GLU A 373 77.637 11.389 0.106 1.00 0.00 C ATOM 695 C GLU A 373 78.897 10.696 -0.403 1.00 0.00 C ATOM 696 O GLU A 373 79.992 11.255 -0.341 1.00 0.00 O ATOM 697 CB GLU A 373 77.401 11.028 1.574 1.00 0.00 C ATOM 698 CG GLU A 373 76.591 12.067 2.333 1.00 0.00 C ATOM 699 CD GLU A 373 75.141 11.661 2.508 1.00 0.00 C ATOM 700 OE1 GLU A 373 74.877 10.450 2.659 1.00 0.00 O ATOM 701 OE2 GLU A 373 74.268 12.555 2.493 1.00 0.00 O ATOM 0 H GLU A 373 76.187 10.047 -0.596 1.00 0.00 H new ATOM 0 HA GLU A 373 77.777 12.467 0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 373 76.886 10.069 1.625 1.00 0.00 H new ATOM 0 HB3 GLU A 373 78.364 10.899 2.067 1.00 0.00 H new ATOM 0 HG2 GLU A 373 77.040 12.228 3.313 1.00 0.00 H new ATOM 0 HG3 GLU A 373 76.637 13.017 1.801 1.00 0.00 H new ATOM 708 N ALA A 374 78.734 9.477 -0.907 1.00 0.00 N ATOM 709 CA ALA A 374 79.858 8.707 -1.427 1.00 0.00 C ATOM 710 C ALA A 374 79.945 8.823 -2.947 1.00 0.00 C ATOM 711 O ALA A 374 79.008 9.287 -3.596 1.00 0.00 O ATOM 712 CB ALA A 374 79.733 7.248 -1.014 1.00 0.00 C ATOM 0 H ALA A 374 77.834 9.001 -0.966 1.00 0.00 H new ATOM 0 HA ALA A 374 80.775 9.116 -1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 374 80.578 6.684 -1.409 1.00 0.00 H new ATOM 0 HB2 ALA A 374 79.726 7.177 0.074 1.00 0.00 H new ATOM 0 HB3 ALA A 374 78.805 6.836 -1.411 1.00 0.00 H new ATOM 718 N PRO A 375 81.076 8.399 -3.537 1.00 0.00 N ATOM 719 CA PRO A 375 81.276 8.459 -4.988 1.00 0.00 C ATOM 720 C PRO A 375 80.442 7.419 -5.728 1.00 0.00 C ATOM 721 O PRO A 375 80.243 6.307 -5.240 1.00 0.00 O ATOM 722 CB PRO A 375 82.767 8.164 -5.151 1.00 0.00 C ATOM 723 CG PRO A 375 83.121 7.341 -3.962 1.00 0.00 C ATOM 724 CD PRO A 375 82.246 7.830 -2.840 1.00 0.00 C ATOM 0 HA PRO A 375 80.970 9.419 -5.405 1.00 0.00 H new ATOM 0 HB2 PRO A 375 82.965 7.626 -6.078 1.00 0.00 H new ATOM 0 HB3 PRO A 375 83.351 9.084 -5.185 1.00 0.00 H new ATOM 0 HG2 PRO A 375 82.950 6.282 -4.156 1.00 0.00 H new ATOM 0 HG3 PRO A 375 84.176 7.453 -3.711 1.00 0.00 H new ATOM 0 HD2 PRO A 375 81.959 7.018 -2.172 1.00 0.00 H new ATOM 0 HD3 PRO A 375 82.754 8.579 -2.232 1.00 0.00 H new ATOM 732 N ALA A 376 79.956 7.789 -6.908 1.00 0.00 N ATOM 733 CA ALA A 376 79.143 6.888 -7.715 1.00 0.00 C ATOM 734 C ALA A 376 79.928 5.638 -8.099 1.00 0.00 C ATOM 735 O ALA A 376 81.091 5.484 -7.726 1.00 0.00 O ATOM 736 CB ALA A 376 78.643 7.602 -8.962 1.00 0.00 C ATOM 0 H ALA A 376 80.111 8.706 -7.326 1.00 0.00 H new ATOM 0 HA ALA A 376 78.285 6.579 -7.118 1.00 0.00 H new ATOM 0 HB1 ALA A 376 78.037 6.917 -9.555 1.00 0.00 H new ATOM 0 HB2 ALA A 376 78.039 8.462 -8.672 1.00 0.00 H new ATOM 0 HB3 ALA A 376 79.494 7.939 -9.554 1.00 0.00 H new ATOM 742 N CYS A 377 79.284 4.747 -8.846 1.00 0.00 N ATOM 743 CA CYS A 377 79.923 3.510 -9.281 1.00 0.00 C ATOM 744 C CYS A 377 81.185 3.805 -10.087 1.00 0.00 C ATOM 745 O CYS A 377 81.141 4.519 -11.089 1.00 0.00 O ATOM 746 CB CYS A 377 78.950 2.675 -10.117 1.00 0.00 C ATOM 747 SG CYS A 377 79.675 1.152 -10.808 1.00 0.00 S ATOM 0 H CYS A 377 78.321 4.858 -9.163 1.00 0.00 H new ATOM 0 HA CYS A 377 80.205 2.943 -8.394 1.00 0.00 H new ATOM 0 HB2 CYS A 377 78.093 2.408 -9.498 1.00 0.00 H new ATOM 0 HB3 CYS A 377 78.573 3.288 -10.935 1.00 0.00 H new ATOM 0 HG CYS A 377 80.941 1.103 -10.517 1.00 0.00 H new