USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 817 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 411 MET CE :methyl -107:sc= -3.31! (180deg=-4.87!) USER MOD Set 1.2: A 450 MET CE :methyl -166:sc= -5.37! (180deg=-6.59!) USER MOD Set 2.1: A 421 HIS : no HE2:sc= -3.78! C(o=-7.8!,f=-6.7!) USER MOD Set 2.2: A 442 CYS SG : rot -170:sc= -1.68 USER MOD Set 2.3: A 444 ASN : amide:sc= -2.31 K(o=-7.8,f=-4.8) USER MOD Set 3.1: A 370 SER OG : rot -50:sc= -2.4! USER MOD Set 3.2: A 377 THR OG1 : rot 90:sc= 1.28 USER MOD Set 4.1: A 356 TYR OH : rot -30:sc= -0.604 USER MOD Set 4.2: A 358 LYS NZ :NH3+ -177:sc= 1.27 (180deg=0.041) USER MOD Single : A 343 THR OG1 : rot 0:sc= 0.625 USER MOD Single : A 344 TYR OH : rot 93:sc= 0.667 USER MOD Single : A 351 ASN : amide:sc= -1.92! K(o=-1.9!,f=-1.3) USER MOD Single : A 352 GLN : amide:sc= -2.34! C(o=-2.3!,f=-4.9!) USER MOD Single : A 353 HIS : no HE2:sc= -7.38! C(o=-7.4!,f=-7!) USER MOD Single : A 354 MET CE :methyl -129:sc= -5.23! (180deg=-6.35!) USER MOD Single : A 357 TYR OH : rot 180:sc= 0 USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 40:sc= -5.59! USER MOD Single : A 372 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 374 THR OG1 : rot 160:sc= -2.82! USER MOD Single : A 375 THR OG1 : rot -66:sc= 0.601 USER MOD Single : A 383 TYR OH : rot -79:sc= 1.24 USER MOD Single : A 386 ASN : amide:sc= -2.21! C(o=-2.2!,f=-1.6!) USER MOD Single : A 387 LYS NZ :NH3+ -120:sc= 1.28 (180deg=-0.146) USER MOD Single : A 392 THR OG1 : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 405 SER OG : rot 180:sc= 0 USER MOD Single : A 408 ASN : amide:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 409 TYR OH : rot 180:sc= 0 USER MOD Single : A 423 SER OG : rot 180:sc= 0 USER MOD Single : A 429 TYR OH : rot -131:sc= -3.74! USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot 180:sc= -1.4 USER MOD Single : A 439 SER OG : rot 180:sc= 0 USER MOD Single : A 440 HIS : no HD1:sc=-0.00941 X(o=-0.0094,f=-0.13) USER MOD Single : A 445 THR OG1 : rot -135:sc= 0.968 USER MOD Single : A 448 SER OG : rot 180:sc= 0 USER MOD Single : A 451 LYS NZ :NH3+ -118:sc= 0.277 (180deg=-0.0912) USER MOD Single : A 456 MET CE :methyl -108:sc= -20.3! (180deg=-29!) USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 THR OG1 : rot -21:sc= -0.757! USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 342 18.204 0.667 6.237 1.00 0.24 N ATOM 61 CA ASP A 342 17.448 1.649 5.493 1.00 0.20 C ATOM 62 C ASP A 342 16.950 1.038 4.204 1.00 0.17 C ATOM 63 O ASP A 342 17.547 1.213 3.140 1.00 0.19 O ATOM 64 CB ASP A 342 18.283 2.889 5.166 1.00 0.22 C ATOM 65 CG ASP A 342 18.993 3.478 6.366 1.00 0.31 C ATOM 66 OD1 ASP A 342 18.311 4.042 7.249 1.00 0.39 O ATOM 67 OD2 ASP A 342 20.231 3.376 6.439 1.00 0.43 O1- ATOM 0 HA ASP A 342 16.611 1.959 6.118 1.00 0.20 H new ATOM 0 HB2 ASP A 342 19.023 2.629 4.409 1.00 0.22 H new ATOM 0 HB3 ASP A 342 17.634 3.649 4.730 1.00 0.22 H new ATOM 72 N THR A 343 15.840 0.339 4.317 1.00 0.13 N ATOM 73 CA THR A 343 15.076 -0.130 3.186 1.00 0.10 C ATOM 74 C THR A 343 13.661 -0.409 3.630 1.00 0.08 C ATOM 75 O THR A 343 13.459 -1.008 4.687 1.00 0.10 O ATOM 76 CB THR A 343 15.626 -1.413 2.557 1.00 0.11 C ATOM 77 OG1 THR A 343 16.971 -1.219 2.096 1.00 0.14 O ATOM 78 CG2 THR A 343 14.719 -1.811 1.404 1.00 0.08 C ATOM 0 H THR A 343 15.438 0.077 5.217 1.00 0.13 H new ATOM 0 HA THR A 343 15.131 0.657 2.434 1.00 0.10 H new ATOM 0 HB THR A 343 15.647 -2.207 3.304 1.00 0.11 H new ATOM 0 HG1 THR A 343 17.253 -0.300 2.287 1.00 0.14 H new ATOM 0 HG21 THR A 343 15.096 -2.724 0.943 1.00 0.08 H new ATOM 0 HG22 THR A 343 13.710 -1.983 1.778 1.00 0.08 H new ATOM 0 HG23 THR A 343 14.700 -1.012 0.663 1.00 0.08 H new ATOM 86 N TYR A 344 12.694 0.012 2.831 1.00 0.07 N ATOM 87 CA TYR A 344 11.297 -0.162 3.189 1.00 0.06 C ATOM 88 C TYR A 344 10.392 0.521 2.205 1.00 0.06 C ATOM 89 O TYR A 344 10.806 1.410 1.495 1.00 0.06 O ATOM 90 CB TYR A 344 11.035 0.447 4.550 1.00 0.08 C ATOM 91 CG TYR A 344 11.446 1.902 4.658 1.00 0.09 C ATOM 92 CD1 TYR A 344 12.748 2.227 4.992 1.00 0.12 C ATOM 93 CD2 TYR A 344 10.547 2.939 4.439 1.00 0.09 C ATOM 94 CE1 TYR A 344 13.151 3.539 5.111 1.00 0.13 C ATOM 95 CE2 TYR A 344 10.936 4.254 4.553 1.00 0.11 C ATOM 96 CZ TYR A 344 12.239 4.553 4.892 1.00 0.13 C ATOM 97 OH TYR A 344 12.628 5.869 5.012 1.00 0.15 O ATOM 0 H TYR A 344 12.850 0.474 1.935 1.00 0.07 H new ATOM 0 HA TYR A 344 11.093 -1.233 3.192 1.00 0.06 H new ATOM 0 HB2 TYR A 344 9.972 0.361 4.778 1.00 0.08 H new ATOM 0 HB3 TYR A 344 11.570 -0.129 5.305 1.00 0.08 H new ATOM 0 HD1 TYR A 344 13.463 1.436 5.163 1.00 0.12 H new ATOM 0 HD2 TYR A 344 9.525 2.709 4.175 1.00 0.09 H new ATOM 0 HE1 TYR A 344 14.172 3.773 5.374 1.00 0.13 H new ATOM 0 HE2 TYR A 344 10.225 5.048 4.378 1.00 0.11 H new ATOM 0 HH TYR A 344 12.900 6.211 4.135 1.00 0.15 H new ATOM 107 N ILE A 345 9.154 0.091 2.155 1.00 0.06 N ATOM 108 CA ILE A 345 8.136 0.870 1.510 1.00 0.06 C ATOM 109 C ILE A 345 7.724 1.983 2.414 1.00 0.07 C ATOM 110 O ILE A 345 7.821 1.874 3.629 1.00 0.08 O ATOM 111 CB ILE A 345 6.866 0.087 1.171 1.00 0.06 C ATOM 112 CG1 ILE A 345 7.150 -1.397 1.143 1.00 0.07 C ATOM 113 CG2 ILE A 345 6.362 0.526 -0.180 1.00 0.06 C ATOM 114 CD1 ILE A 345 8.225 -1.735 0.196 1.00 0.05 C ATOM 0 H ILE A 345 8.832 -0.791 2.553 1.00 0.06 H new ATOM 0 HA ILE A 345 8.580 1.215 0.577 1.00 0.06 H new ATOM 0 HB ILE A 345 6.113 0.284 1.934 1.00 0.06 H new ATOM 0 HG12 ILE A 345 7.429 -1.732 2.142 1.00 0.07 H new ATOM 0 HG13 ILE A 345 6.243 -1.935 0.868 1.00 0.07 H new ATOM 0 HG21 ILE A 345 5.457 -0.028 -0.428 1.00 0.06 H new ATOM 0 HG22 ILE A 345 6.139 1.593 -0.156 1.00 0.06 H new ATOM 0 HG23 ILE A 345 7.125 0.331 -0.934 1.00 0.06 H new ATOM 0 HD11 ILE A 345 8.396 -2.811 0.209 1.00 0.05 H new ATOM 0 HD12 ILE A 345 7.936 -1.425 -0.808 1.00 0.05 H new ATOM 0 HD13 ILE A 345 9.140 -1.219 0.486 1.00 0.05 H new ATOM 126 N GLU A 346 7.251 3.026 1.814 1.00 0.09 N ATOM 127 CA GLU A 346 6.830 4.197 2.532 1.00 0.12 C ATOM 128 C GLU A 346 5.681 4.827 1.760 1.00 0.17 C ATOM 129 O GLU A 346 5.600 4.711 0.554 1.00 0.21 O ATOM 130 CB GLU A 346 8.032 5.120 2.609 1.00 0.15 C ATOM 131 CG GLU A 346 7.940 6.310 3.548 1.00 0.13 C ATOM 132 CD GLU A 346 6.581 6.729 3.942 1.00 1.24 C ATOM 133 OE1 GLU A 346 5.879 5.879 4.523 1.00 2.01 O1- ATOM 134 OE2 GLU A 346 6.192 7.869 3.637 1.00 1.53 O ATOM 0 H GLU A 346 7.143 3.096 0.802 1.00 0.09 H new ATOM 0 HA GLU A 346 6.482 3.978 3.542 1.00 0.12 H new ATOM 0 HB2 GLU A 346 8.896 4.524 2.904 1.00 0.15 H new ATOM 0 HB3 GLU A 346 8.232 5.497 1.606 1.00 0.15 H new ATOM 0 HG2 GLU A 346 8.502 6.076 4.452 1.00 0.13 H new ATOM 0 HG3 GLU A 346 8.436 7.158 3.075 1.00 0.13 H new ATOM 141 N VAL A 347 4.765 5.407 2.481 1.00 0.17 N ATOM 142 CA VAL A 347 3.684 6.147 1.926 1.00 0.17 C ATOM 143 C VAL A 347 3.429 7.398 2.733 1.00 0.20 C ATOM 144 O VAL A 347 3.699 7.453 3.903 1.00 0.45 O ATOM 145 CB VAL A 347 2.382 5.377 1.935 1.00 0.15 C ATOM 146 CG1 VAL A 347 1.469 6.053 0.959 1.00 0.14 C ATOM 147 CG2 VAL A 347 2.585 3.903 1.622 1.00 0.15 C ATOM 0 H VAL A 347 4.755 5.373 3.500 1.00 0.17 H new ATOM 0 HA VAL A 347 3.981 6.368 0.901 1.00 0.17 H new ATOM 0 HB VAL A 347 1.938 5.387 2.931 1.00 0.15 H new ATOM 0 HG11 VAL A 347 0.513 5.529 0.932 1.00 0.14 H new ATOM 0 HG12 VAL A 347 1.308 7.086 1.267 1.00 0.14 H new ATOM 0 HG13 VAL A 347 1.920 6.036 -0.033 1.00 0.14 H new ATOM 0 HG21 VAL A 347 1.623 3.391 1.640 1.00 0.15 H new ATOM 0 HG22 VAL A 347 3.033 3.799 0.634 1.00 0.15 H new ATOM 0 HG23 VAL A 347 3.245 3.460 2.368 1.00 0.15 H new ATOM 157 N ASP A 348 2.845 8.367 2.103 1.00 0.10 N ATOM 158 CA ASP A 348 2.454 9.578 2.750 1.00 0.09 C ATOM 159 C ASP A 348 1.081 9.933 2.219 1.00 0.08 C ATOM 160 O ASP A 348 0.919 10.320 1.079 1.00 0.10 O ATOM 161 CB ASP A 348 3.478 10.671 2.449 1.00 0.12 C ATOM 162 CG ASP A 348 3.249 11.896 3.302 1.00 0.16 C ATOM 163 OD1 ASP A 348 2.079 12.259 3.549 1.00 0.16 O1- ATOM 164 OD2 ASP A 348 4.250 12.488 3.761 1.00 0.24 O ATOM 0 H ASP A 348 2.623 8.338 1.108 1.00 0.10 H new ATOM 0 HA ASP A 348 2.413 9.468 3.834 1.00 0.09 H new ATOM 0 HB2 ASP A 348 4.483 10.287 2.624 1.00 0.12 H new ATOM 0 HB3 ASP A 348 3.420 10.944 1.395 1.00 0.12 H new ATOM 169 N LEU A 349 0.107 9.732 3.073 1.00 0.08 N ATOM 170 CA LEU A 349 -1.318 9.723 2.727 1.00 0.09 C ATOM 171 C LEU A 349 -1.830 11.115 2.641 1.00 0.12 C ATOM 172 O LEU A 349 -2.734 11.449 1.887 1.00 0.16 O ATOM 173 CB LEU A 349 -2.083 9.008 3.825 1.00 0.10 C ATOM 174 CG LEU A 349 -1.431 7.729 4.283 1.00 0.08 C ATOM 175 CD1 LEU A 349 -0.812 7.041 3.101 1.00 0.07 C ATOM 176 CD2 LEU A 349 -0.395 8.028 5.339 1.00 0.08 C ATOM 0 H LEU A 349 0.276 9.563 4.065 1.00 0.08 H new ATOM 0 HA LEU A 349 -1.449 9.221 1.768 1.00 0.09 H new ATOM 0 HB2 LEU A 349 -2.188 9.678 4.678 1.00 0.10 H new ATOM 0 HB3 LEU A 349 -3.089 8.786 3.469 1.00 0.10 H new ATOM 0 HG LEU A 349 -2.178 7.069 4.722 1.00 0.08 H new ATOM 0 HD11 LEU A 349 -0.338 6.115 3.426 1.00 0.07 H new ATOM 0 HD12 LEU A 349 -1.584 6.815 2.366 1.00 0.07 H new ATOM 0 HD13 LEU A 349 -0.063 7.693 2.652 1.00 0.07 H new ATOM 0 HD21 LEU A 349 0.071 7.098 5.665 1.00 0.08 H new ATOM 0 HD22 LEU A 349 0.366 8.690 4.925 1.00 0.08 H new ATOM 0 HD23 LEU A 349 -0.873 8.512 6.191 1.00 0.08 H new ATOM 188 N GLU A 350 -1.242 11.875 3.520 1.00 0.13 N ATOM 189 CA GLU A 350 -1.463 13.287 3.666 1.00 0.15 C ATOM 190 C GLU A 350 -1.122 13.945 2.371 1.00 0.14 C ATOM 191 O GLU A 350 -1.799 14.839 1.874 1.00 0.17 O ATOM 192 CB GLU A 350 -0.513 13.763 4.722 1.00 0.18 C ATOM 193 CG GLU A 350 -0.379 12.781 5.822 1.00 0.19 C ATOM 194 CD GLU A 350 -0.668 13.341 7.196 1.00 0.28 C ATOM 195 OE1 GLU A 350 -0.018 14.338 7.577 1.00 0.57 O ATOM 196 OE2 GLU A 350 -1.539 12.796 7.903 1.00 0.60 O1- ATOM 0 H GLU A 350 -0.562 11.510 4.187 1.00 0.13 H new ATOM 0 HA GLU A 350 -2.495 13.514 3.935 1.00 0.15 H new ATOM 0 HB2 GLU A 350 0.465 13.945 4.276 1.00 0.18 H new ATOM 0 HB3 GLU A 350 -0.863 14.714 5.124 1.00 0.18 H new ATOM 0 HG2 GLU A 350 -1.055 11.947 5.633 1.00 0.19 H new ATOM 0 HG3 GLU A 350 0.634 12.379 5.812 1.00 0.19 H new ATOM 203 N ASN A 351 0.005 13.485 1.888 1.00 0.12 N ATOM 204 CA ASN A 351 0.624 14.013 0.685 1.00 0.11 C ATOM 205 C ASN A 351 0.357 13.109 -0.501 1.00 0.09 C ATOM 206 O ASN A 351 0.910 13.287 -1.590 1.00 0.10 O ATOM 207 CB ASN A 351 2.118 14.156 0.935 1.00 0.13 C ATOM 208 CG ASN A 351 2.378 15.204 1.981 1.00 0.17 C ATOM 209 OD1 ASN A 351 2.624 16.370 1.673 1.00 0.20 O ATOM 210 ND2 ASN A 351 2.291 14.803 3.230 1.00 0.18 N ATOM 0 H ASN A 351 0.529 12.724 2.320 1.00 0.12 H new ATOM 0 HA ASN A 351 0.197 14.988 0.449 1.00 0.11 H new ATOM 0 HB2 ASN A 351 2.532 13.201 1.258 1.00 0.13 H new ATOM 0 HB3 ASN A 351 2.624 14.426 0.008 1.00 0.13 H new ATOM 0 HD21 ASN A 351 2.429 15.469 3.990 1.00 0.18 H new ATOM 0 HD22 ASN A 351 2.085 13.826 3.439 1.00 0.18 H new ATOM 217 N GLN A 352 -0.515 12.136 -0.221 1.00 0.08 N ATOM 218 CA GLN A 352 -0.896 11.049 -1.123 1.00 0.08 C ATOM 219 C GLN A 352 0.218 10.629 -2.060 1.00 0.07 C ATOM 220 O GLN A 352 0.087 10.696 -3.281 1.00 0.08 O ATOM 221 CB GLN A 352 -2.158 11.357 -1.915 1.00 0.12 C ATOM 222 CG GLN A 352 -3.353 11.658 -1.045 1.00 0.21 C ATOM 223 CD GLN A 352 -3.466 13.129 -0.701 1.00 1.28 C ATOM 224 OE1 GLN A 352 -3.057 13.996 -1.472 1.00 2.15 O ATOM 225 NE2 GLN A 352 -4.003 13.419 0.469 1.00 1.89 N ATOM 0 H GLN A 352 -0.994 12.083 0.678 1.00 0.08 H new ATOM 0 HA GLN A 352 -1.106 10.206 -0.464 1.00 0.08 H new ATOM 0 HB2 GLN A 352 -1.969 12.209 -2.568 1.00 0.12 H new ATOM 0 HB3 GLN A 352 -2.391 10.508 -2.558 1.00 0.12 H new ATOM 0 HG2 GLN A 352 -4.260 11.337 -1.557 1.00 0.21 H new ATOM 0 HG3 GLN A 352 -3.284 11.078 -0.125 1.00 0.21 H new ATOM 0 HE21 GLN A 352 -4.330 12.670 1.080 1.00 1.89 H new ATOM 0 HE22 GLN A 352 -4.091 14.392 0.763 1.00 1.89 H new ATOM 234 N HIS A 353 1.292 10.146 -1.486 1.00 0.05 N ATOM 235 CA HIS A 353 2.422 9.705 -2.265 1.00 0.05 C ATOM 236 C HIS A 353 3.032 8.484 -1.627 1.00 0.06 C ATOM 237 O HIS A 353 3.163 8.411 -0.425 1.00 0.07 O ATOM 238 CB HIS A 353 3.441 10.829 -2.382 1.00 0.06 C ATOM 239 CG HIS A 353 4.502 10.542 -3.383 1.00 0.06 C ATOM 240 ND1 HIS A 353 4.460 10.932 -4.707 1.00 0.09 N ATOM 241 CD2 HIS A 353 5.616 9.830 -3.242 1.00 0.06 C ATOM 242 CE1 HIS A 353 5.523 10.447 -5.331 1.00 0.09 C ATOM 243 NE2 HIS A 353 6.245 9.780 -4.451 1.00 0.07 N ATOM 0 H HIS A 353 1.407 10.048 -0.477 1.00 0.05 H new ATOM 0 HA HIS A 353 2.093 9.440 -3.270 1.00 0.05 H new ATOM 0 HB2 HIS A 353 2.928 11.751 -2.657 1.00 0.06 H new ATOM 0 HB3 HIS A 353 3.902 10.998 -1.409 1.00 0.06 H new ATOM 0 HD1 HIS A 353 3.729 11.501 -5.135 1.00 0.09 H new ATOM 0 HD2 HIS A 353 5.963 9.371 -2.328 1.00 0.06 H new ATOM 0 HE1 HIS A 353 5.758 10.575 -6.377 1.00 0.09 H new ATOM 252 N MET A 354 3.362 7.512 -2.441 1.00 0.05 N ATOM 253 CA MET A 354 3.942 6.297 -1.959 1.00 0.06 C ATOM 254 C MET A 354 5.371 6.165 -2.462 1.00 0.05 C ATOM 255 O MET A 354 5.734 6.733 -3.487 1.00 0.06 O ATOM 256 CB MET A 354 3.129 5.099 -2.398 1.00 0.07 C ATOM 257 CG MET A 354 3.423 3.854 -1.595 1.00 0.07 C ATOM 258 SD MET A 354 3.747 2.408 -2.611 1.00 0.06 S ATOM 259 CE MET A 354 4.972 3.071 -3.730 1.00 0.05 C ATOM 0 H MET A 354 3.234 7.547 -3.452 1.00 0.05 H new ATOM 0 HA MET A 354 3.946 6.330 -0.870 1.00 0.06 H new ATOM 0 HB2 MET A 354 2.069 5.337 -2.313 1.00 0.07 H new ATOM 0 HB3 MET A 354 3.327 4.900 -3.451 1.00 0.07 H new ATOM 0 HG2 MET A 354 4.285 4.039 -0.955 1.00 0.07 H new ATOM 0 HG3 MET A 354 2.578 3.646 -0.939 1.00 0.07 H new ATOM 0 HE1 MET A 354 4.680 2.856 -4.758 1.00 0.05 H new ATOM 0 HE2 MET A 354 5.046 4.150 -3.591 1.00 0.05 H new ATOM 0 HE3 MET A 354 5.939 2.612 -3.524 1.00 0.05 H new ATOM 269 N TRP A 355 6.154 5.398 -1.748 1.00 0.05 N ATOM 270 CA TRP A 355 7.561 5.212 -2.032 1.00 0.07 C ATOM 271 C TRP A 355 7.983 3.794 -1.778 1.00 0.07 C ATOM 272 O TRP A 355 7.350 3.073 -1.027 1.00 0.11 O ATOM 273 CB TRP A 355 8.442 6.050 -1.109 1.00 0.08 C ATOM 274 CG TRP A 355 8.329 7.503 -1.272 1.00 0.07 C ATOM 275 CD1 TRP A 355 9.048 8.283 -2.085 1.00 0.06 C ATOM 276 CD2 TRP A 355 7.471 8.339 -0.549 1.00 0.07 C ATOM 277 NE1 TRP A 355 8.664 9.585 -1.949 1.00 0.05 N ATOM 278 CE2 TRP A 355 7.684 9.645 -0.979 1.00 0.06 C ATOM 279 CE3 TRP A 355 6.530 8.095 0.419 1.00 0.08 C ATOM 280 CZ2 TRP A 355 6.961 10.709 -0.440 1.00 0.07 C ATOM 281 CZ3 TRP A 355 5.841 9.110 0.943 1.00 0.09 C ATOM 282 CH2 TRP A 355 6.049 10.416 0.525 1.00 0.09 C ATOM 0 H TRP A 355 5.829 4.873 -0.936 1.00 0.05 H new ATOM 0 HA TRP A 355 7.684 5.500 -3.076 1.00 0.07 H new ATOM 0 HB2 TRP A 355 8.199 5.798 -0.077 1.00 0.08 H new ATOM 0 HB3 TRP A 355 9.481 5.764 -1.270 1.00 0.08 H new ATOM 0 HD1 TRP A 355 9.821 7.933 -2.753 1.00 0.06 H new ATOM 0 HE1 TRP A 355 9.037 10.377 -2.473 1.00 0.05 H new ATOM 0 HE3 TRP A 355 6.348 7.085 0.756 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 7.119 11.723 -0.775 1.00 0.07 H new ATOM 0 HZ3 TRP A 355 5.106 8.911 1.709 1.00 0.09 H new ATOM 0 HH2 TRP A 355 5.477 11.214 0.974 1.00 0.09 H new ATOM 293 N TYR A 356 9.066 3.422 -2.392 1.00 0.04 N ATOM 294 CA TYR A 356 9.917 2.408 -1.845 1.00 0.04 C ATOM 295 C TYR A 356 11.173 3.083 -1.438 1.00 0.04 C ATOM 296 O TYR A 356 11.549 4.085 -2.002 1.00 0.05 O ATOM 297 CB TYR A 356 10.276 1.362 -2.829 1.00 0.03 C ATOM 298 CG TYR A 356 11.163 0.279 -2.238 1.00 0.03 C ATOM 299 CD1 TYR A 356 10.627 -0.729 -1.476 1.00 0.05 C ATOM 300 CD2 TYR A 356 12.517 0.242 -2.492 1.00 0.05 C ATOM 301 CE1 TYR A 356 11.402 -1.746 -1.004 1.00 0.11 C ATOM 302 CE2 TYR A 356 13.310 -0.772 -2.003 1.00 0.10 C ATOM 303 CZ TYR A 356 12.738 -1.771 -1.268 1.00 0.05 C ATOM 304 OH TYR A 356 13.499 -2.824 -0.832 1.00 0.26 O ATOM 0 H TYR A 356 9.383 3.810 -3.280 1.00 0.04 H new ATOM 0 HA TYR A 356 9.390 1.922 -1.024 1.00 0.04 H new ATOM 0 HB2 TYR A 356 9.365 0.907 -3.218 1.00 0.03 H new ATOM 0 HB3 TYR A 356 10.788 1.824 -3.673 1.00 0.03 H new ATOM 0 HD1 TYR A 356 9.572 -0.716 -1.246 1.00 0.05 H new ATOM 0 HD2 TYR A 356 12.965 1.024 -3.087 1.00 0.05 H new ATOM 0 HE1 TYR A 356 10.955 -2.535 -0.418 1.00 0.11 H new ATOM 0 HE2 TYR A 356 14.372 -0.777 -2.198 1.00 0.10 H new ATOM 0 HH TYR A 356 13.114 -3.187 -0.007 1.00 0.26 H new ATOM 314 N TYR A 357 11.818 2.511 -0.507 1.00 0.05 N ATOM 315 CA TYR A 357 13.034 3.066 0.020 1.00 0.06 C ATOM 316 C TYR A 357 14.125 2.040 0.014 1.00 0.06 C ATOM 317 O TYR A 357 14.028 1.011 0.667 1.00 0.07 O ATOM 318 CB TYR A 357 12.862 3.589 1.437 1.00 0.07 C ATOM 319 CG TYR A 357 12.482 5.041 1.528 1.00 0.07 C ATOM 320 CD1 TYR A 357 11.176 5.463 1.317 1.00 0.08 C ATOM 321 CD2 TYR A 357 13.444 5.990 1.835 1.00 0.10 C ATOM 322 CE1 TYR A 357 10.838 6.802 1.408 1.00 0.10 C ATOM 323 CE2 TYR A 357 13.121 7.322 1.927 1.00 0.11 C ATOM 324 CZ TYR A 357 11.815 7.730 1.715 1.00 0.11 C ATOM 325 OH TYR A 357 11.489 9.063 1.802 1.00 0.14 O ATOM 0 H TYR A 357 11.531 1.635 -0.071 1.00 0.05 H new ATOM 0 HA TYR A 357 13.300 3.903 -0.626 1.00 0.06 H new ATOM 0 HB2 TYR A 357 12.098 2.995 1.939 1.00 0.07 H new ATOM 0 HB3 TYR A 357 13.794 3.436 1.982 1.00 0.07 H new ATOM 0 HD1 TYR A 357 10.413 4.736 1.079 1.00 0.08 H new ATOM 0 HD2 TYR A 357 14.464 5.677 2.005 1.00 0.10 H new ATOM 0 HE1 TYR A 357 9.819 7.119 1.241 1.00 0.10 H new ATOM 0 HE2 TYR A 357 13.884 8.049 2.164 1.00 0.11 H new ATOM 0 HH TYR A 357 12.290 9.582 2.027 1.00 0.14 H new ATOM 335 N LYS A 358 15.138 2.327 -0.744 1.00 0.07 N ATOM 336 CA LYS A 358 16.367 1.591 -0.687 1.00 0.09 C ATOM 337 C LYS A 358 17.433 2.577 -0.291 1.00 0.13 C ATOM 338 O LYS A 358 17.419 3.700 -0.739 1.00 0.25 O ATOM 339 CB LYS A 358 16.718 0.978 -2.026 1.00 0.11 C ATOM 340 CG LYS A 358 17.703 -0.143 -1.899 1.00 0.12 C ATOM 341 CD LYS A 358 17.026 -1.297 -1.277 1.00 0.09 C ATOM 342 CE LYS A 358 16.503 -2.190 -2.347 1.00 0.09 C ATOM 343 NZ LYS A 358 15.972 -3.470 -1.817 1.00 0.10 N1+ ATOM 0 H LYS A 358 15.137 3.085 -1.426 1.00 0.07 H new ATOM 0 HA LYS A 358 16.278 0.770 0.024 1.00 0.09 H new ATOM 0 HB2 LYS A 358 15.810 0.608 -2.503 1.00 0.11 H new ATOM 0 HB3 LYS A 358 17.130 1.748 -2.678 1.00 0.11 H new ATOM 0 HG2 LYS A 358 18.093 -0.417 -2.879 1.00 0.12 H new ATOM 0 HG3 LYS A 358 18.554 0.168 -1.293 1.00 0.12 H new ATOM 0 HD2 LYS A 358 17.722 -1.842 -0.639 1.00 0.09 H new ATOM 0 HD3 LYS A 358 16.210 -0.956 -0.640 1.00 0.09 H new ATOM 0 HE2 LYS A 358 15.714 -1.673 -2.893 1.00 0.09 H new ATOM 0 HE3 LYS A 358 17.300 -2.400 -3.061 1.00 0.09 H new ATOM 0 HZ1 LYS A 358 15.668 -4.074 -2.607 1.00 0.10 H new ATOM 0 HZ2 LYS A 358 16.715 -3.956 -1.276 1.00 0.10 H new ATOM 0 HZ3 LYS A 358 15.160 -3.278 -1.196 1.00 0.10 H new ATOM 357 N ASP A 359 18.339 2.151 0.559 1.00 0.13 N ATOM 358 CA ASP A 359 19.500 2.954 0.935 1.00 0.16 C ATOM 359 C ASP A 359 19.141 4.170 1.756 1.00 0.16 C ATOM 360 O ASP A 359 19.960 5.069 1.936 1.00 0.28 O ATOM 361 CB ASP A 359 20.270 3.419 -0.280 1.00 0.19 C ATOM 362 CG ASP A 359 21.736 3.041 -0.231 1.00 0.28 C ATOM 363 OD1 ASP A 359 22.525 3.766 0.413 1.00 0.39 O1- ATOM 364 OD2 ASP A 359 22.107 2.016 -0.843 1.00 0.43 O ATOM 0 H ASP A 359 18.300 1.239 1.014 1.00 0.13 H new ATOM 0 HA ASP A 359 20.115 2.292 1.544 1.00 0.16 H new ATOM 0 HB2 ASP A 359 19.819 2.990 -1.175 1.00 0.19 H new ATOM 0 HB3 ASP A 359 20.182 4.502 -0.367 1.00 0.19 H new ATOM 369 N GLY A 360 17.930 4.160 2.293 1.00 0.15 N ATOM 370 CA GLY A 360 17.415 5.320 2.999 1.00 0.15 C ATOM 371 C GLY A 360 16.937 6.390 2.087 1.00 0.14 C ATOM 372 O GLY A 360 16.542 7.474 2.513 1.00 0.18 O ATOM 0 H GLY A 360 17.290 3.366 2.253 1.00 0.15 H new ATOM 0 HA2 GLY A 360 16.595 5.010 3.647 1.00 0.15 H new ATOM 0 HA3 GLY A 360 18.196 5.722 3.644 1.00 0.15 H new ATOM 376 N LYS A 361 16.930 6.047 0.843 1.00 0.13 N ATOM 377 CA LYS A 361 16.486 6.907 -0.204 1.00 0.13 C ATOM 378 C LYS A 361 15.472 6.085 -0.959 1.00 0.09 C ATOM 379 O LYS A 361 15.204 4.962 -0.563 1.00 0.12 O ATOM 380 CB LYS A 361 17.698 7.244 -1.040 1.00 0.16 C ATOM 381 CG LYS A 361 18.196 6.069 -1.844 1.00 0.17 C ATOM 382 CD LYS A 361 19.210 6.467 -2.867 1.00 0.23 C ATOM 383 CE LYS A 361 18.605 7.440 -3.853 1.00 0.26 C ATOM 384 NZ LYS A 361 19.371 7.510 -5.125 1.00 0.37 N1+ ATOM 0 H LYS A 361 17.242 5.133 0.516 1.00 0.13 H new ATOM 0 HA LYS A 361 16.038 7.846 0.121 1.00 0.13 H new ATOM 0 HB2 LYS A 361 17.452 8.063 -1.716 1.00 0.16 H new ATOM 0 HB3 LYS A 361 18.497 7.598 -0.388 1.00 0.16 H new ATOM 0 HG2 LYS A 361 18.633 5.331 -1.171 1.00 0.17 H new ATOM 0 HG3 LYS A 361 17.353 5.588 -2.340 1.00 0.17 H new ATOM 0 HD2 LYS A 361 20.071 6.922 -2.378 1.00 0.23 H new ATOM 0 HD3 LYS A 361 19.572 5.584 -3.393 1.00 0.23 H new ATOM 0 HE2 LYS A 361 17.578 7.144 -4.067 1.00 0.26 H new ATOM 0 HE3 LYS A 361 18.564 8.431 -3.402 1.00 0.26 H new ATOM 0 HZ1 LYS A 361 18.916 8.190 -5.767 1.00 0.37 H new ATOM 0 HZ2 LYS A 361 20.345 7.818 -4.927 1.00 0.37 H new ATOM 0 HZ3 LYS A 361 19.389 6.571 -5.572 1.00 0.37 H new ATOM 398 N VAL A 362 14.850 6.604 -1.982 1.00 0.09 N ATOM 399 CA VAL A 362 13.830 5.803 -2.609 1.00 0.07 C ATOM 400 C VAL A 362 14.187 5.176 -3.902 1.00 0.07 C ATOM 401 O VAL A 362 15.052 5.623 -4.650 1.00 0.10 O ATOM 402 CB VAL A 362 12.515 6.509 -2.787 1.00 0.07 C ATOM 403 CG1 VAL A 362 12.063 7.025 -1.472 1.00 0.07 C ATOM 404 CG2 VAL A 362 12.581 7.593 -3.792 1.00 0.09 C ATOM 0 H VAL A 362 15.016 7.527 -2.384 1.00 0.09 H new ATOM 0 HA VAL A 362 13.732 5.006 -1.872 1.00 0.07 H new ATOM 0 HB VAL A 362 11.791 5.790 -3.171 1.00 0.07 H new ATOM 0 HG11 VAL A 362 11.109 7.539 -1.591 1.00 0.07 H new ATOM 0 HG12 VAL A 362 11.943 6.194 -0.777 1.00 0.07 H new ATOM 0 HG13 VAL A 362 12.804 7.722 -1.080 1.00 0.07 H new ATOM 0 HG21 VAL A 362 11.604 8.068 -3.879 1.00 0.09 H new ATOM 0 HG22 VAL A 362 13.318 8.333 -3.481 1.00 0.09 H new ATOM 0 HG23 VAL A 362 12.870 7.177 -4.757 1.00 0.09 H new ATOM 414 N ALA A 363 13.421 4.137 -4.143 1.00 0.05 N ATOM 415 CA ALA A 363 13.536 3.332 -5.296 1.00 0.05 C ATOM 416 C ALA A 363 12.351 3.632 -6.145 1.00 0.05 C ATOM 417 O ALA A 363 12.358 3.525 -7.369 1.00 0.07 O ATOM 418 CB ALA A 363 13.531 1.873 -4.893 1.00 0.05 C ATOM 0 H ALA A 363 12.682 3.835 -3.509 1.00 0.05 H new ATOM 0 HA ALA A 363 14.462 3.534 -5.835 1.00 0.05 H new ATOM 0 HB1 ALA A 363 13.620 1.249 -5.783 1.00 0.05 H new ATOM 0 HB2 ALA A 363 14.371 1.677 -4.227 1.00 0.05 H new ATOM 0 HB3 ALA A 363 12.598 1.641 -4.379 1.00 0.05 H new ATOM 424 N LEU A 364 11.329 4.017 -5.424 1.00 0.04 N ATOM 425 CA LEU A 364 10.044 4.280 -5.968 1.00 0.04 C ATOM 426 C LEU A 364 9.498 5.558 -5.469 1.00 0.05 C ATOM 427 O LEU A 364 9.678 5.940 -4.316 1.00 0.06 O ATOM 428 CB LEU A 364 9.127 3.165 -5.566 1.00 0.04 C ATOM 429 CG LEU A 364 8.468 2.474 -6.709 1.00 0.05 C ATOM 430 CD1 LEU A 364 9.508 2.129 -7.727 1.00 0.05 C ATOM 431 CD2 LEU A 364 7.809 1.240 -6.212 1.00 0.05 C ATOM 0 H LEU A 364 11.381 4.157 -4.415 1.00 0.04 H new ATOM 0 HA LEU A 364 10.128 4.350 -7.052 1.00 0.04 H new ATOM 0 HB2 LEU A 364 9.694 2.433 -4.991 1.00 0.04 H new ATOM 0 HB3 LEU A 364 8.358 3.563 -4.904 1.00 0.04 H new ATOM 0 HG LEU A 364 7.718 3.120 -7.165 1.00 0.05 H new ATOM 0 HD11 LEU A 364 9.038 1.622 -8.570 1.00 0.05 H new ATOM 0 HD12 LEU A 364 9.992 3.041 -8.076 1.00 0.05 H new ATOM 0 HD13 LEU A 364 10.253 1.472 -7.278 1.00 0.05 H new ATOM 0 HD21 LEU A 364 7.324 0.727 -7.042 1.00 0.05 H new ATOM 0 HD22 LEU A 364 8.556 0.583 -5.766 1.00 0.05 H new ATOM 0 HD23 LEU A 364 7.063 1.503 -5.462 1.00 0.05 H new ATOM 443 N GLU A 365 8.803 6.184 -6.357 1.00 0.05 N ATOM 444 CA GLU A 365 8.122 7.381 -6.076 1.00 0.06 C ATOM 445 C GLU A 365 6.825 7.233 -6.770 1.00 0.05 C ATOM 446 O GLU A 365 6.794 7.061 -7.987 1.00 0.07 O ATOM 447 CB GLU A 365 8.902 8.525 -6.669 1.00 0.10 C ATOM 448 CG GLU A 365 8.997 9.746 -5.783 1.00 0.16 C ATOM 449 CD GLU A 365 9.970 10.771 -6.314 1.00 0.27 C ATOM 450 OE1 GLU A 365 9.600 11.543 -7.220 1.00 0.45 O1- ATOM 451 OE2 GLU A 365 11.117 10.807 -5.823 1.00 0.48 O ATOM 0 H GLU A 365 8.696 5.862 -7.319 1.00 0.05 H new ATOM 0 HA GLU A 365 7.997 7.574 -5.011 1.00 0.06 H new ATOM 0 HB2 GLU A 365 9.910 8.180 -6.899 1.00 0.10 H new ATOM 0 HB3 GLU A 365 8.440 8.812 -7.613 1.00 0.10 H new ATOM 0 HG2 GLU A 365 8.011 10.200 -5.689 1.00 0.16 H new ATOM 0 HG3 GLU A 365 9.304 9.442 -4.782 1.00 0.16 H new ATOM 458 N THR A 366 5.757 7.265 -6.052 1.00 0.05 N ATOM 459 CA THR A 366 4.526 7.162 -6.713 1.00 0.06 C ATOM 460 C THR A 366 3.437 7.885 -5.985 1.00 0.06 C ATOM 461 O THR A 366 3.566 8.252 -4.837 1.00 0.07 O ATOM 462 CB THR A 366 4.175 5.686 -6.914 1.00 0.06 C ATOM 463 OG1 THR A 366 3.619 5.476 -8.193 1.00 0.07 O ATOM 464 CG2 THR A 366 3.192 5.228 -5.878 1.00 0.07 C ATOM 0 H THR A 366 5.719 7.359 -5.037 1.00 0.05 H new ATOM 0 HA THR A 366 4.619 7.642 -7.687 1.00 0.06 H new ATOM 0 HB THR A 366 5.097 5.113 -6.819 1.00 0.06 H new ATOM 0 HG1 THR A 366 4.100 6.019 -8.852 1.00 0.07 H new ATOM 0 HG21 THR A 366 2.957 4.176 -6.040 1.00 0.07 H new ATOM 0 HG22 THR A 366 3.624 5.355 -4.885 1.00 0.07 H new ATOM 0 HG23 THR A 366 2.280 5.820 -5.955 1.00 0.07 H new ATOM 472 N ASP A 367 2.380 8.085 -6.679 1.00 0.07 N ATOM 473 CA ASP A 367 1.255 8.776 -6.180 1.00 0.09 C ATOM 474 C ASP A 367 0.159 7.786 -5.826 1.00 0.09 C ATOM 475 O ASP A 367 -0.085 6.843 -6.561 1.00 0.11 O ATOM 476 CB ASP A 367 0.865 9.767 -7.262 1.00 0.13 C ATOM 477 CG ASP A 367 0.651 9.164 -8.652 1.00 0.98 C ATOM 478 OD1 ASP A 367 1.382 8.223 -9.042 1.00 1.65 O ATOM 479 OD2 ASP A 367 -0.208 9.679 -9.393 1.00 1.80 O1- ATOM 0 H ASP A 367 2.272 7.762 -7.640 1.00 0.07 H new ATOM 0 HA ASP A 367 1.456 9.318 -5.256 1.00 0.09 H new ATOM 0 HB2 ASP A 367 -0.052 10.271 -6.957 1.00 0.13 H new ATOM 0 HB3 ASP A 367 1.640 10.530 -7.330 1.00 0.13 H new ATOM 484 N ILE A 368 -0.440 7.968 -4.653 1.00 0.09 N ATOM 485 CA ILE A 368 -1.379 6.989 -4.105 1.00 0.08 C ATOM 486 C ILE A 368 -2.592 7.629 -3.513 1.00 0.07 C ATOM 487 O ILE A 368 -2.795 8.836 -3.576 1.00 0.08 O ATOM 488 CB ILE A 368 -0.763 6.144 -2.990 1.00 0.09 C ATOM 489 CG1 ILE A 368 0.024 7.004 -2.040 1.00 0.08 C ATOM 490 CG2 ILE A 368 0.092 5.067 -3.573 1.00 0.12 C ATOM 491 CD1 ILE A 368 -0.807 7.619 -0.928 1.00 0.08 C ATOM 0 H ILE A 368 -0.293 8.785 -4.061 1.00 0.09 H new ATOM 0 HA ILE A 368 -1.644 6.368 -4.961 1.00 0.08 H new ATOM 0 HB ILE A 368 -1.568 5.675 -2.423 1.00 0.09 H new ATOM 0 HG12 ILE A 368 0.818 6.404 -1.596 1.00 0.08 H new ATOM 0 HG13 ILE A 368 0.505 7.803 -2.604 1.00 0.08 H new ATOM 0 HG21 ILE A 368 0.525 4.472 -2.769 1.00 0.12 H new ATOM 0 HG22 ILE A 368 -0.515 4.426 -4.212 1.00 0.12 H new ATOM 0 HG23 ILE A 368 0.891 5.516 -4.163 1.00 0.12 H new ATOM 0 HD11 ILE A 368 -0.166 8.224 -0.287 1.00 0.08 H new ATOM 0 HD12 ILE A 368 -1.585 8.248 -1.361 1.00 0.08 H new ATOM 0 HD13 ILE A 368 -1.267 6.827 -0.337 1.00 0.08 H new ATOM 503 N VAL A 369 -3.362 6.775 -2.893 1.00 0.07 N ATOM 504 CA VAL A 369 -4.504 7.169 -2.121 1.00 0.08 C ATOM 505 C VAL A 369 -4.754 6.113 -1.056 1.00 0.09 C ATOM 506 O VAL A 369 -4.862 4.922 -1.341 1.00 0.10 O ATOM 507 CB VAL A 369 -5.766 7.436 -3.002 1.00 0.08 C ATOM 508 CG1 VAL A 369 -5.507 7.125 -4.483 1.00 0.10 C ATOM 509 CG2 VAL A 369 -6.982 6.671 -2.493 1.00 0.09 C ATOM 0 H VAL A 369 -3.208 5.767 -2.913 1.00 0.07 H new ATOM 0 HA VAL A 369 -4.294 8.124 -1.640 1.00 0.08 H new ATOM 0 HB VAL A 369 -5.983 8.501 -2.921 1.00 0.08 H new ATOM 0 HG11 VAL A 369 -6.410 7.324 -5.060 1.00 0.10 H new ATOM 0 HG12 VAL A 369 -4.696 7.753 -4.850 1.00 0.10 H new ATOM 0 HG13 VAL A 369 -5.231 6.076 -4.592 1.00 0.10 H new ATOM 0 HG21 VAL A 369 -7.839 6.883 -3.132 1.00 0.09 H new ATOM 0 HG22 VAL A 369 -6.772 5.601 -2.510 1.00 0.09 H new ATOM 0 HG23 VAL A 369 -7.205 6.981 -1.472 1.00 0.09 H new ATOM 519 N SER A 370 -4.729 6.573 0.180 1.00 0.09 N ATOM 520 CA SER A 370 -4.958 5.731 1.345 1.00 0.08 C ATOM 521 C SER A 370 -6.453 5.484 1.543 1.00 0.08 C ATOM 522 O SER A 370 -7.239 5.757 0.640 1.00 0.10 O ATOM 523 CB SER A 370 -4.287 6.296 2.606 1.00 0.13 C ATOM 524 OG SER A 370 -3.558 5.289 3.249 1.00 1.26 O ATOM 0 H SER A 370 -4.548 7.550 0.409 1.00 0.09 H new ATOM 0 HA SER A 370 -4.486 4.766 1.160 1.00 0.08 H new ATOM 0 HB2 SER A 370 -3.627 7.121 2.339 1.00 0.13 H new ATOM 0 HB3 SER A 370 -5.042 6.698 3.281 1.00 0.13 H new ATOM 0 HG SER A 370 -4.124 4.497 3.362 1.00 1.26 H new ATOM 530 N GLY A 371 -6.860 4.932 2.671 1.00 0.09 N ATOM 531 CA GLY A 371 -8.257 4.581 2.807 1.00 0.12 C ATOM 532 C GLY A 371 -9.105 5.748 3.281 1.00 0.12 C ATOM 533 O GLY A 371 -8.585 6.807 3.644 1.00 0.14 O ATOM 0 H GLY A 371 -6.269 4.724 3.476 1.00 0.09 H new ATOM 0 HA2 GLY A 371 -8.635 4.227 1.848 1.00 0.12 H new ATOM 0 HA3 GLY A 371 -8.354 3.755 3.512 1.00 0.12 H new ATOM 537 N LYS A 372 -10.417 5.553 3.245 1.00 0.16 N ATOM 538 CA LYS A 372 -11.378 6.639 3.391 1.00 0.16 C ATOM 539 C LYS A 372 -11.480 7.120 4.841 1.00 0.18 C ATOM 540 O LYS A 372 -11.155 6.402 5.774 1.00 0.21 O ATOM 541 CB LYS A 372 -12.725 6.145 2.879 1.00 0.19 C ATOM 542 CG LYS A 372 -13.582 5.471 3.921 1.00 0.27 C ATOM 543 CD LYS A 372 -14.657 4.662 3.265 1.00 0.47 C ATOM 544 CE LYS A 372 -14.078 3.419 2.645 1.00 0.81 C ATOM 545 NZ LYS A 372 -15.113 2.577 1.994 1.00 0.79 N1+ ATOM 0 H LYS A 372 -10.845 4.637 3.114 1.00 0.16 H new ATOM 0 HA LYS A 372 -11.046 7.499 2.809 1.00 0.16 H new ATOM 0 HB2 LYS A 372 -13.275 6.991 2.466 1.00 0.19 H new ATOM 0 HB3 LYS A 372 -12.554 5.446 2.060 1.00 0.19 H new ATOM 0 HG2 LYS A 372 -12.965 4.828 4.549 1.00 0.27 H new ATOM 0 HG3 LYS A 372 -14.029 6.220 4.574 1.00 0.27 H new ATOM 0 HD2 LYS A 372 -15.415 4.390 4.000 1.00 0.47 H new ATOM 0 HD3 LYS A 372 -15.154 5.259 2.500 1.00 0.47 H new ATOM 0 HE2 LYS A 372 -13.326 3.700 1.908 1.00 0.81 H new ATOM 0 HE3 LYS A 372 -13.569 2.836 3.413 1.00 0.81 H new ATOM 0 HZ1 LYS A 372 -14.666 1.733 1.582 1.00 0.79 H new ATOM 0 HZ2 LYS A 372 -15.818 2.285 2.701 1.00 0.79 H new ATOM 0 HZ3 LYS A 372 -15.582 3.122 1.242 1.00 0.79 H new ATOM 559 N PRO A 373 -11.948 8.378 5.010 1.00 0.19 N ATOM 560 CA PRO A 373 -11.978 9.111 6.290 1.00 0.21 C ATOM 561 C PRO A 373 -12.711 8.380 7.369 1.00 0.24 C ATOM 562 O PRO A 373 -12.470 8.568 8.557 1.00 0.28 O ATOM 563 CB PRO A 373 -12.810 10.328 5.948 1.00 0.23 C ATOM 564 CG PRO A 373 -12.533 10.565 4.532 1.00 0.21 C ATOM 565 CD PRO A 373 -12.511 9.201 3.933 1.00 0.19 C ATOM 0 HA PRO A 373 -10.968 9.291 6.658 1.00 0.21 H new ATOM 0 HB2 PRO A 373 -13.871 10.147 6.121 1.00 0.23 H new ATOM 0 HB3 PRO A 373 -12.529 11.187 6.558 1.00 0.23 H new ATOM 0 HG2 PRO A 373 -13.301 11.189 4.075 1.00 0.21 H new ATOM 0 HG3 PRO A 373 -11.581 11.077 4.392 1.00 0.21 H new ATOM 0 HD2 PRO A 373 -13.510 8.868 3.650 1.00 0.19 H new ATOM 0 HD3 PRO A 373 -11.896 9.165 3.034 1.00 0.19 H new ATOM 573 N THR A 374 -13.672 7.616 6.916 1.00 0.25 N ATOM 574 CA THR A 374 -14.550 6.876 7.795 1.00 0.28 C ATOM 575 C THR A 374 -13.772 5.773 8.488 1.00 0.30 C ATOM 576 O THR A 374 -14.027 5.416 9.641 1.00 0.33 O ATOM 577 CB THR A 374 -15.717 6.249 7.011 1.00 0.29 C ATOM 578 OG1 THR A 374 -15.274 5.111 6.274 1.00 0.29 O ATOM 579 CG2 THR A 374 -16.300 7.258 6.050 1.00 0.29 C ATOM 0 H THR A 374 -13.871 7.487 5.924 1.00 0.25 H new ATOM 0 HA THR A 374 -14.954 7.571 8.532 1.00 0.28 H new ATOM 0 HB THR A 374 -16.478 5.940 7.728 1.00 0.29 H new ATOM 0 HG1 THR A 374 -16.043 4.547 6.050 1.00 0.29 H new ATOM 0 HG21 THR A 374 -17.125 6.803 5.501 1.00 0.29 H new ATOM 0 HG22 THR A 374 -16.666 8.121 6.606 1.00 0.29 H new ATOM 0 HG23 THR A 374 -15.530 7.579 5.348 1.00 0.29 H new ATOM 587 N THR A 375 -12.808 5.259 7.750 1.00 0.28 N ATOM 588 CA THR A 375 -11.953 4.178 8.192 1.00 0.31 C ATOM 589 C THR A 375 -10.538 4.428 7.721 1.00 0.29 C ATOM 590 O THR A 375 -9.985 3.761 6.842 1.00 0.29 O ATOM 591 CB THR A 375 -12.482 2.844 7.703 1.00 0.34 C ATOM 592 OG1 THR A 375 -11.495 1.815 7.845 1.00 0.39 O ATOM 593 CG2 THR A 375 -12.929 2.964 6.256 1.00 0.31 C ATOM 0 H THR A 375 -12.594 5.588 6.809 1.00 0.28 H new ATOM 0 HA THR A 375 -11.948 4.141 9.281 1.00 0.31 H new ATOM 0 HB THR A 375 -13.340 2.566 8.315 1.00 0.34 H new ATOM 0 HG1 THR A 375 -10.743 1.997 7.243 1.00 0.39 H new ATOM 0 HG21 THR A 375 -13.308 2.002 5.911 1.00 0.31 H new ATOM 0 HG22 THR A 375 -13.717 3.713 6.180 1.00 0.31 H new ATOM 0 HG23 THR A 375 -12.083 3.263 5.637 1.00 0.31 H new ATOM 601 N PRO A 376 -9.974 5.424 8.352 1.00 0.28 N ATOM 602 CA PRO A 376 -8.699 6.027 8.030 1.00 0.26 C ATOM 603 C PRO A 376 -7.543 5.076 8.062 1.00 0.26 C ATOM 604 O PRO A 376 -7.587 4.030 8.717 1.00 0.38 O ATOM 605 CB PRO A 376 -8.557 7.077 9.122 1.00 0.29 C ATOM 606 CG PRO A 376 -9.936 7.394 9.460 1.00 0.32 C ATOM 607 CD PRO A 376 -10.587 6.071 9.484 1.00 0.32 C ATOM 0 HA PRO A 376 -8.682 6.411 7.010 1.00 0.26 H new ATOM 0 HB2 PRO A 376 -8.010 6.692 9.982 1.00 0.29 H new ATOM 0 HB3 PRO A 376 -8.017 7.955 8.768 1.00 0.29 H new ATOM 0 HG2 PRO A 376 -10.009 7.897 10.424 1.00 0.32 H new ATOM 0 HG3 PRO A 376 -10.391 8.054 8.721 1.00 0.32 H new ATOM 0 HD2 PRO A 376 -10.395 5.537 10.415 1.00 0.32 H new ATOM 0 HD3 PRO A 376 -11.669 6.145 9.377 1.00 0.32 H new ATOM 615 N THR A 377 -6.506 5.437 7.352 1.00 0.17 N ATOM 616 CA THR A 377 -5.292 4.712 7.461 1.00 0.21 C ATOM 617 C THR A 377 -4.457 5.346 8.583 1.00 0.17 C ATOM 618 O THR A 377 -4.485 6.562 8.787 1.00 0.21 O ATOM 619 CB THR A 377 -4.542 4.647 6.107 1.00 0.33 C ATOM 620 OG1 THR A 377 -4.275 3.281 5.770 1.00 0.82 O ATOM 621 CG2 THR A 377 -3.239 5.416 6.135 1.00 0.22 C ATOM 0 H THR A 377 -6.488 6.222 6.701 1.00 0.17 H new ATOM 0 HA THR A 377 -5.494 3.673 7.720 1.00 0.21 H new ATOM 0 HB THR A 377 -5.185 5.108 5.357 1.00 0.33 H new ATOM 0 HG1 THR A 377 -5.022 2.921 5.248 1.00 0.82 H new ATOM 0 HG21 THR A 377 -2.751 5.340 5.163 1.00 0.22 H new ATOM 0 HG22 THR A 377 -3.440 6.464 6.360 1.00 0.22 H new ATOM 0 HG23 THR A 377 -2.587 4.999 6.902 1.00 0.22 H new ATOM 629 N PRO A 378 -3.745 4.509 9.347 1.00 0.14 N ATOM 630 CA PRO A 378 -3.103 4.880 10.615 1.00 0.15 C ATOM 631 C PRO A 378 -1.842 5.677 10.397 1.00 0.13 C ATOM 632 O PRO A 378 -1.603 6.684 11.060 1.00 0.16 O ATOM 633 CB PRO A 378 -2.732 3.507 11.203 1.00 0.17 C ATOM 634 CG PRO A 378 -3.522 2.535 10.410 1.00 0.19 C ATOM 635 CD PRO A 378 -3.475 3.112 9.048 1.00 0.17 C ATOM 0 HA PRO A 378 -3.745 5.498 11.243 1.00 0.15 H new ATOM 0 HB2 PRO A 378 -1.663 3.314 11.115 1.00 0.17 H new ATOM 0 HB3 PRO A 378 -2.981 3.449 12.263 1.00 0.17 H new ATOM 0 HG2 PRO A 378 -3.086 1.537 10.442 1.00 0.19 H new ATOM 0 HG3 PRO A 378 -4.544 2.448 10.778 1.00 0.19 H new ATOM 0 HD2 PRO A 378 -2.506 2.969 8.570 1.00 0.17 H new ATOM 0 HD3 PRO A 378 -4.224 2.677 8.386 1.00 0.17 H new ATOM 643 N ALA A 379 -1.063 5.204 9.449 1.00 0.11 N ATOM 644 CA ALA A 379 0.265 5.707 9.175 1.00 0.10 C ATOM 645 C ALA A 379 1.214 5.598 10.359 1.00 0.10 C ATOM 646 O ALA A 379 0.899 5.892 11.516 1.00 0.13 O ATOM 647 CB ALA A 379 0.238 7.108 8.613 1.00 0.11 C ATOM 0 H ALA A 379 -1.342 4.441 8.833 1.00 0.11 H new ATOM 0 HA ALA A 379 0.669 5.050 8.405 1.00 0.10 H new ATOM 0 HB1 ALA A 379 1.258 7.444 8.423 1.00 0.11 H new ATOM 0 HB2 ALA A 379 -0.326 7.115 7.680 1.00 0.11 H new ATOM 0 HB3 ALA A 379 -0.237 7.778 9.329 1.00 0.11 H new ATOM 653 N GLY A 380 2.397 5.179 10.002 1.00 0.10 N ATOM 654 CA GLY A 380 3.471 4.953 10.921 1.00 0.11 C ATOM 655 C GLY A 380 4.417 3.935 10.347 1.00 0.12 C ATOM 656 O GLY A 380 5.086 4.196 9.353 1.00 0.20 O ATOM 0 H GLY A 380 2.645 4.980 9.033 1.00 0.10 H new ATOM 0 HA2 GLY A 380 3.999 5.886 11.116 1.00 0.11 H new ATOM 0 HA3 GLY A 380 3.079 4.603 11.876 1.00 0.11 H new ATOM 660 N VAL A 381 4.445 2.762 10.945 1.00 0.12 N ATOM 661 CA VAL A 381 5.242 1.672 10.437 1.00 0.13 C ATOM 662 C VAL A 381 4.400 0.391 10.357 1.00 0.15 C ATOM 663 O VAL A 381 3.809 -0.063 11.341 1.00 0.25 O ATOM 664 CB VAL A 381 6.485 1.472 11.322 1.00 0.17 C ATOM 665 CG1 VAL A 381 6.151 0.755 12.619 1.00 0.79 C ATOM 666 CG2 VAL A 381 7.587 0.749 10.561 1.00 0.82 C ATOM 0 H VAL A 381 3.919 2.541 11.791 1.00 0.12 H new ATOM 0 HA VAL A 381 5.580 1.913 9.429 1.00 0.13 H new ATOM 0 HB VAL A 381 6.853 2.462 11.590 1.00 0.17 H new ATOM 0 HG11 VAL A 381 7.057 0.635 13.212 1.00 0.79 H new ATOM 0 HG12 VAL A 381 5.424 1.340 13.182 1.00 0.79 H new ATOM 0 HG13 VAL A 381 5.732 -0.226 12.395 1.00 0.79 H new ATOM 0 HG21 VAL A 381 8.453 0.621 11.210 1.00 0.82 H new ATOM 0 HG22 VAL A 381 7.227 -0.228 10.240 1.00 0.82 H new ATOM 0 HG23 VAL A 381 7.871 1.336 9.688 1.00 0.82 H new ATOM 676 N PHE A 382 4.284 -0.149 9.165 1.00 0.09 N ATOM 677 CA PHE A 382 3.653 -1.433 8.972 1.00 0.09 C ATOM 678 C PHE A 382 4.708 -2.359 8.354 1.00 0.09 C ATOM 679 O PHE A 382 5.866 -1.963 8.246 1.00 0.10 O ATOM 680 CB PHE A 382 2.377 -1.332 8.119 1.00 0.10 C ATOM 681 CG PHE A 382 1.521 -0.111 8.395 1.00 0.11 C ATOM 682 CD1 PHE A 382 1.255 0.303 9.693 1.00 0.18 C ATOM 683 CD2 PHE A 382 0.995 0.643 7.347 1.00 0.12 C ATOM 684 CE1 PHE A 382 0.491 1.426 9.939 1.00 0.22 C ATOM 685 CE2 PHE A 382 0.237 1.762 7.594 1.00 0.15 C ATOM 686 CZ PHE A 382 -0.015 2.154 8.888 1.00 0.18 C ATOM 0 H PHE A 382 4.622 0.287 8.307 1.00 0.09 H new ATOM 0 HA PHE A 382 3.312 -1.839 9.924 1.00 0.09 H new ATOM 0 HB2 PHE A 382 2.660 -1.329 7.066 1.00 0.10 H new ATOM 0 HB3 PHE A 382 1.775 -2.225 8.285 1.00 0.10 H new ATOM 0 HD1 PHE A 382 1.652 -0.262 10.523 1.00 0.18 H new ATOM 0 HD2 PHE A 382 1.186 0.343 6.327 1.00 0.12 H new ATOM 0 HE1 PHE A 382 0.291 1.732 10.955 1.00 0.22 H new ATOM 0 HE2 PHE A 382 -0.162 2.335 6.770 1.00 0.15 H new ATOM 0 HZ PHE A 382 -0.611 3.034 9.079 1.00 0.18 H new ATOM 696 N TYR A 383 4.375 -3.577 7.969 1.00 0.11 N ATOM 697 CA TYR A 383 5.429 -4.505 7.557 1.00 0.11 C ATOM 698 C TYR A 383 5.050 -5.343 6.342 1.00 0.11 C ATOM 699 O TYR A 383 4.039 -6.037 6.351 1.00 0.13 O ATOM 700 CB TYR A 383 5.718 -5.425 8.731 1.00 0.13 C ATOM 701 CG TYR A 383 7.170 -5.786 8.875 1.00 0.21 C ATOM 702 CD1 TYR A 383 8.122 -4.818 9.153 1.00 0.25 C ATOM 703 CD2 TYR A 383 7.586 -7.099 8.725 1.00 0.37 C ATOM 704 CE1 TYR A 383 9.455 -5.148 9.277 1.00 0.39 C ATOM 705 CE2 TYR A 383 8.912 -7.445 8.850 1.00 0.49 C ATOM 706 CZ TYR A 383 9.852 -6.433 9.155 1.00 0.50 C ATOM 707 OH TYR A 383 11.174 -6.807 9.240 1.00 0.65 O ATOM 0 H TYR A 383 3.424 -3.944 7.930 1.00 0.11 H new ATOM 0 HA TYR A 383 6.302 -3.920 7.269 1.00 0.11 H new ATOM 0 HB2 TYR A 383 5.380 -4.945 9.649 1.00 0.13 H new ATOM 0 HB3 TYR A 383 5.135 -6.339 8.616 1.00 0.13 H new ATOM 0 HD1 TYR A 383 7.815 -3.790 9.274 1.00 0.25 H new ATOM 0 HD2 TYR A 383 6.857 -7.865 8.506 1.00 0.37 H new ATOM 0 HE1 TYR A 383 10.184 -4.376 9.472 1.00 0.39 H new ATOM 0 HE2 TYR A 383 9.229 -8.469 8.718 1.00 0.49 H new ATOM 0 HH TYR A 383 11.623 -6.619 8.389 1.00 0.65 H new ATOM 717 N VAL A 384 5.871 -5.270 5.290 1.00 0.09 N ATOM 718 CA VAL A 384 5.740 -6.201 4.181 1.00 0.09 C ATOM 719 C VAL A 384 6.570 -7.420 4.462 1.00 0.13 C ATOM 720 O VAL A 384 7.758 -7.519 4.134 1.00 0.16 O ATOM 721 CB VAL A 384 6.105 -5.627 2.798 1.00 0.07 C ATOM 722 CG1 VAL A 384 7.394 -4.858 2.847 1.00 0.07 C ATOM 723 CG2 VAL A 384 6.191 -6.741 1.748 1.00 0.08 C ATOM 0 H VAL A 384 6.620 -4.585 5.189 1.00 0.09 H new ATOM 0 HA VAL A 384 4.679 -6.443 4.118 1.00 0.09 H new ATOM 0 HB VAL A 384 5.310 -4.939 2.510 1.00 0.07 H new ATOM 0 HG11 VAL A 384 7.622 -4.467 1.856 1.00 0.07 H new ATOM 0 HG12 VAL A 384 7.298 -4.031 3.550 1.00 0.07 H new ATOM 0 HG13 VAL A 384 8.199 -5.518 3.171 1.00 0.07 H new ATOM 0 HG21 VAL A 384 6.450 -6.310 0.781 1.00 0.08 H new ATOM 0 HG22 VAL A 384 6.956 -7.460 2.042 1.00 0.08 H new ATOM 0 HG23 VAL A 384 5.228 -7.246 1.674 1.00 0.08 H new ATOM 733 N TRP A 385 5.916 -8.354 5.071 1.00 0.18 N ATOM 734 CA TRP A 385 6.527 -9.611 5.385 1.00 0.23 C ATOM 735 C TRP A 385 6.246 -10.565 4.246 1.00 0.12 C ATOM 736 O TRP A 385 6.493 -11.769 4.328 1.00 0.21 O ATOM 737 CB TRP A 385 6.061 -10.137 6.745 1.00 0.48 C ATOM 738 CG TRP A 385 4.569 -10.140 6.920 1.00 0.45 C ATOM 739 CD1 TRP A 385 3.776 -9.086 7.301 1.00 0.57 C ATOM 740 CD2 TRP A 385 3.688 -11.252 6.732 1.00 1.08 C ATOM 741 NE1 TRP A 385 2.470 -9.486 7.371 1.00 1.17 N ATOM 742 CE2 TRP A 385 2.387 -10.803 7.021 1.00 1.54 C ATOM 743 CE3 TRP A 385 3.870 -12.581 6.346 1.00 1.37 C ATOM 744 CZ2 TRP A 385 1.279 -11.632 6.938 1.00 2.27 C ATOM 745 CZ3 TRP A 385 2.765 -13.407 6.262 1.00 2.11 C ATOM 746 CH2 TRP A 385 1.483 -12.930 6.557 1.00 2.55 C ATOM 0 H TRP A 385 4.943 -8.271 5.366 1.00 0.18 H new ATOM 0 HA TRP A 385 7.606 -9.497 5.484 1.00 0.23 H new ATOM 0 HB2 TRP A 385 6.434 -11.153 6.878 1.00 0.48 H new ATOM 0 HB3 TRP A 385 6.508 -9.528 7.531 1.00 0.48 H new ATOM 0 HD1 TRP A 385 4.131 -8.088 7.514 1.00 0.57 H new ATOM 0 HE1 TRP A 385 1.684 -8.895 7.641 1.00 1.17 H new ATOM 0 HE3 TRP A 385 4.856 -12.957 6.117 1.00 1.37 H new ATOM 0 HZ2 TRP A 385 0.289 -11.266 7.166 1.00 2.27 H new ATOM 0 HZ3 TRP A 385 2.893 -14.437 5.964 1.00 2.11 H new ATOM 0 HH2 TRP A 385 0.639 -13.599 6.482 1.00 2.55 H new ATOM 757 N ASN A 386 5.728 -9.977 3.165 1.00 0.10 N ATOM 758 CA ASN A 386 5.556 -10.668 1.904 1.00 0.14 C ATOM 759 C ASN A 386 5.202 -9.681 0.799 1.00 0.11 C ATOM 760 O ASN A 386 4.282 -8.889 0.921 1.00 0.12 O ATOM 761 CB ASN A 386 4.459 -11.721 2.025 1.00 0.27 C ATOM 762 CG ASN A 386 4.322 -12.551 0.766 1.00 0.33 C ATOM 763 OD1 ASN A 386 4.974 -13.580 0.614 1.00 0.43 O ATOM 764 ND2 ASN A 386 3.476 -12.109 -0.148 1.00 0.31 N ATOM 0 H ASN A 386 5.418 -9.005 3.149 1.00 0.10 H new ATOM 0 HA ASN A 386 6.496 -11.159 1.650 1.00 0.14 H new ATOM 0 HB2 ASN A 386 4.678 -12.376 2.868 1.00 0.27 H new ATOM 0 HB3 ASN A 386 3.509 -11.231 2.240 1.00 0.27 H new ATOM 0 HD21 ASN A 386 3.347 -12.628 -1.017 1.00 0.31 H new ATOM 0 HD22 ASN A 386 2.952 -11.249 0.015 1.00 0.31 H new ATOM 771 N LYS A 387 5.974 -9.740 -0.264 1.00 0.11 N ATOM 772 CA LYS A 387 5.675 -9.047 -1.517 1.00 0.09 C ATOM 773 C LYS A 387 5.016 -10.025 -2.472 1.00 0.08 C ATOM 774 O LYS A 387 5.389 -11.199 -2.518 1.00 0.13 O ATOM 775 CB LYS A 387 6.958 -8.476 -2.150 1.00 0.13 C ATOM 776 CG LYS A 387 8.253 -8.892 -1.471 1.00 0.38 C ATOM 777 CD LYS A 387 8.505 -10.366 -1.653 1.00 0.20 C ATOM 778 CE LYS A 387 9.091 -10.686 -3.004 1.00 0.40 C ATOM 779 NZ LYS A 387 10.394 -10.006 -3.245 1.00 1.12 N1+ ATOM 0 H LYS A 387 6.841 -10.276 -0.292 1.00 0.11 H new ATOM 0 HA LYS A 387 5.003 -8.214 -1.312 1.00 0.09 H new ATOM 0 HB2 LYS A 387 6.998 -8.785 -3.194 1.00 0.13 H new ATOM 0 HB3 LYS A 387 6.895 -7.388 -2.142 1.00 0.13 H new ATOM 0 HG2 LYS A 387 9.085 -8.323 -1.885 1.00 0.38 H new ATOM 0 HG3 LYS A 387 8.203 -8.656 -0.408 1.00 0.38 H new ATOM 0 HD2 LYS A 387 9.183 -10.715 -0.874 1.00 0.20 H new ATOM 0 HD3 LYS A 387 7.569 -10.910 -1.528 1.00 0.20 H new ATOM 0 HE2 LYS A 387 9.228 -11.764 -3.089 1.00 0.40 H new ATOM 0 HE3 LYS A 387 8.384 -10.392 -3.780 1.00 0.40 H new ATOM 0 HZ1 LYS A 387 10.315 -9.390 -4.079 1.00 1.12 H new ATOM 0 HZ2 LYS A 387 10.646 -9.433 -2.414 1.00 1.12 H new ATOM 0 HZ3 LYS A 387 11.133 -10.719 -3.410 1.00 1.12 H new ATOM 793 N GLU A 388 4.038 -9.537 -3.222 1.00 0.09 N ATOM 794 CA GLU A 388 3.157 -10.403 -3.993 1.00 0.10 C ATOM 795 C GLU A 388 3.075 -10.066 -5.461 1.00 0.10 C ATOM 796 O GLU A 388 3.313 -8.942 -5.883 1.00 0.10 O ATOM 797 CB GLU A 388 1.765 -10.297 -3.424 1.00 0.09 C ATOM 798 CG GLU A 388 1.489 -11.286 -2.371 1.00 0.15 C ATOM 799 CD GLU A 388 1.606 -12.713 -2.855 1.00 0.38 C ATOM 800 OE1 GLU A 388 0.655 -13.206 -3.496 1.00 0.69 O ATOM 801 OE2 GLU A 388 2.641 -13.355 -2.583 1.00 0.71 O1- ATOM 0 H GLU A 388 3.834 -8.542 -3.313 1.00 0.09 H new ATOM 0 HA GLU A 388 3.578 -11.406 -3.918 1.00 0.10 H new ATOM 0 HB2 GLU A 388 1.621 -9.295 -3.019 1.00 0.09 H new ATOM 0 HB3 GLU A 388 1.041 -10.422 -4.229 1.00 0.09 H new ATOM 0 HG2 GLU A 388 2.182 -11.131 -1.544 1.00 0.15 H new ATOM 0 HG3 GLU A 388 0.485 -11.122 -1.980 1.00 0.15 H new ATOM 808 N GLU A 389 2.695 -11.087 -6.201 1.00 0.10 N ATOM 809 CA GLU A 389 2.397 -11.019 -7.604 1.00 0.11 C ATOM 810 C GLU A 389 1.155 -11.831 -7.868 1.00 0.16 C ATOM 811 O GLU A 389 1.087 -13.001 -7.481 1.00 0.28 O ATOM 812 CB GLU A 389 3.527 -11.574 -8.441 1.00 0.14 C ATOM 813 CG GLU A 389 4.709 -10.654 -8.533 1.00 0.16 C ATOM 814 CD GLU A 389 5.798 -11.199 -9.434 1.00 0.27 C ATOM 815 OE1 GLU A 389 6.395 -12.237 -9.092 1.00 0.33 O1- ATOM 816 OE2 GLU A 389 6.048 -10.598 -10.502 1.00 0.38 O ATOM 0 H GLU A 389 2.583 -12.025 -5.817 1.00 0.10 H new ATOM 0 HA GLU A 389 2.253 -9.973 -7.876 1.00 0.11 H new ATOM 0 HB2 GLU A 389 3.849 -12.526 -8.018 1.00 0.14 H new ATOM 0 HB3 GLU A 389 3.158 -11.780 -9.446 1.00 0.14 H new ATOM 0 HG2 GLU A 389 4.382 -9.684 -8.908 1.00 0.16 H new ATOM 0 HG3 GLU A 389 5.116 -10.489 -7.535 1.00 0.16 H new ATOM 823 N ASP A 390 0.188 -11.216 -8.515 1.00 0.12 N ATOM 824 CA ASP A 390 -1.084 -11.866 -8.803 1.00 0.15 C ATOM 825 C ASP A 390 -1.723 -12.325 -7.484 1.00 0.16 C ATOM 826 O ASP A 390 -2.163 -13.461 -7.302 1.00 0.25 O ATOM 827 CB ASP A 390 -0.824 -13.000 -9.786 1.00 0.19 C ATOM 828 CG ASP A 390 -2.050 -13.834 -10.113 1.00 0.28 C ATOM 829 OD1 ASP A 390 -2.999 -13.297 -10.724 1.00 0.41 O ATOM 830 OD2 ASP A 390 -2.081 -15.028 -9.754 1.00 0.36 O1- ATOM 0 H ASP A 390 0.255 -10.257 -8.857 1.00 0.12 H new ATOM 0 HA ASP A 390 -1.797 -11.187 -9.270 1.00 0.15 H new ATOM 0 HB2 ASP A 390 -0.427 -12.581 -10.710 1.00 0.19 H new ATOM 0 HB3 ASP A 390 -0.054 -13.653 -9.375 1.00 0.19 H new ATOM 835 N ALA A 391 -1.706 -11.378 -6.556 1.00 0.12 N ATOM 836 CA ALA A 391 -2.280 -11.511 -5.230 1.00 0.11 C ATOM 837 C ALA A 391 -3.752 -11.193 -5.286 1.00 0.10 C ATOM 838 O ALA A 391 -4.232 -10.680 -6.280 1.00 0.11 O ATOM 839 CB ALA A 391 -1.609 -10.516 -4.323 1.00 0.10 C ATOM 0 H ALA A 391 -1.277 -10.466 -6.714 1.00 0.12 H new ATOM 0 HA ALA A 391 -2.138 -12.527 -4.863 1.00 0.11 H new ATOM 0 HB1 ALA A 391 -2.026 -10.599 -3.320 1.00 0.10 H new ATOM 0 HB2 ALA A 391 -0.539 -10.719 -4.289 1.00 0.10 H new ATOM 0 HB3 ALA A 391 -1.775 -9.508 -4.703 1.00 0.10 H new ATOM 845 N THR A 392 -4.481 -11.500 -4.245 1.00 0.11 N ATOM 846 CA THR A 392 -5.859 -11.059 -4.178 1.00 0.11 C ATOM 847 C THR A 392 -6.193 -10.432 -2.842 1.00 0.11 C ATOM 848 O THR A 392 -6.113 -11.058 -1.786 1.00 0.14 O ATOM 849 CB THR A 392 -6.861 -12.178 -4.498 1.00 0.15 C ATOM 850 OG1 THR A 392 -6.485 -12.839 -5.714 1.00 0.17 O ATOM 851 CG2 THR A 392 -8.258 -11.602 -4.648 1.00 0.15 C ATOM 0 H THR A 392 -4.157 -12.042 -3.444 1.00 0.11 H new ATOM 0 HA THR A 392 -5.955 -10.297 -4.952 1.00 0.11 H new ATOM 0 HB THR A 392 -6.855 -12.896 -3.678 1.00 0.15 H new ATOM 0 HG1 THR A 392 -7.128 -13.552 -5.911 1.00 0.17 H new ATOM 0 HG21 THR A 392 -8.960 -12.404 -4.875 1.00 0.15 H new ATOM 0 HG22 THR A 392 -8.552 -11.114 -3.719 1.00 0.15 H new ATOM 0 HG23 THR A 392 -8.266 -10.873 -5.458 1.00 0.15 H new ATOM 859 N LEU A 393 -6.572 -9.185 -2.929 1.00 0.10 N ATOM 860 CA LEU A 393 -6.938 -8.381 -1.775 1.00 0.12 C ATOM 861 C LEU A 393 -8.354 -8.624 -1.330 1.00 0.15 C ATOM 862 O LEU A 393 -9.298 -7.993 -1.796 1.00 0.16 O ATOM 863 CB LEU A 393 -6.779 -6.940 -2.146 1.00 0.11 C ATOM 864 CG LEU A 393 -5.386 -6.356 -2.044 1.00 0.25 C ATOM 865 CD1 LEU A 393 -4.367 -7.336 -2.552 1.00 0.57 C ATOM 866 CD2 LEU A 393 -5.332 -5.109 -2.872 1.00 0.51 C ATOM 0 H LEU A 393 -6.639 -8.683 -3.815 1.00 0.10 H new ATOM 0 HA LEU A 393 -6.289 -8.657 -0.944 1.00 0.12 H new ATOM 0 HB2 LEU A 393 -7.126 -6.814 -3.172 1.00 0.11 H new ATOM 0 HB3 LEU A 393 -7.441 -6.351 -1.511 1.00 0.11 H new ATOM 0 HG LEU A 393 -5.162 -6.132 -1.001 1.00 0.25 H new ATOM 0 HD11 LEU A 393 -3.371 -6.900 -2.471 1.00 0.57 H new ATOM 0 HD12 LEU A 393 -4.413 -8.249 -1.958 1.00 0.57 H new ATOM 0 HD13 LEU A 393 -4.577 -7.571 -3.595 1.00 0.57 H new ATOM 0 HD21 LEU A 393 -4.334 -4.674 -2.810 1.00 0.51 H new ATOM 0 HD22 LEU A 393 -5.558 -5.352 -3.910 1.00 0.51 H new ATOM 0 HD23 LEU A 393 -6.064 -4.393 -2.499 1.00 0.51 H new ATOM 878 N LYS A 394 -8.471 -9.539 -0.436 1.00 0.18 N ATOM 879 CA LYS A 394 -9.732 -9.892 0.158 1.00 0.23 C ATOM 880 C LYS A 394 -9.927 -9.325 1.534 1.00 0.29 C ATOM 881 O LYS A 394 -9.076 -8.607 2.065 1.00 0.29 O ATOM 882 CB LYS A 394 -9.744 -11.357 0.206 1.00 0.25 C ATOM 883 CG LYS A 394 -9.709 -11.892 -1.149 1.00 0.23 C ATOM 884 CD LYS A 394 -10.220 -13.233 -1.129 1.00 0.27 C ATOM 885 CE LYS A 394 -9.564 -13.923 -2.238 1.00 0.27 C ATOM 886 NZ LYS A 394 -9.874 -15.375 -2.297 1.00 0.33 N1+ ATOM 0 H LYS A 394 -7.683 -10.081 -0.082 1.00 0.18 H new ATOM 0 HA LYS A 394 -10.548 -9.477 -0.434 1.00 0.23 H new ATOM 0 HB2 LYS A 394 -8.886 -11.719 0.773 1.00 0.25 H new ATOM 0 HB3 LYS A 394 -10.638 -11.706 0.723 1.00 0.25 H new ATOM 0 HG2 LYS A 394 -10.306 -11.270 -1.816 1.00 0.23 H new ATOM 0 HG3 LYS A 394 -8.689 -11.882 -1.533 1.00 0.23 H new ATOM 0 HD2 LYS A 394 -10.001 -13.721 -0.180 1.00 0.27 H new ATOM 0 HD3 LYS A 394 -11.303 -13.241 -1.249 1.00 0.27 H new ATOM 0 HE2 LYS A 394 -9.866 -13.456 -3.176 1.00 0.27 H new ATOM 0 HE3 LYS A 394 -8.485 -13.793 -2.150 1.00 0.27 H new ATOM 0 HZ1 LYS A 394 -9.378 -15.803 -3.105 1.00 0.33 H new ATOM 0 HZ2 LYS A 394 -9.562 -15.833 -1.417 1.00 0.33 H new ATOM 0 HZ3 LYS A 394 -10.899 -15.507 -2.411 1.00 0.33 H new ATOM 1015 N GLU A 404 -13.034 -8.870 -2.793 1.00 0.25 N ATOM 1016 CA GLU A 404 -11.774 -9.316 -3.330 1.00 0.21 C ATOM 1017 C GLU A 404 -11.246 -8.292 -4.299 1.00 0.20 C ATOM 1018 O GLU A 404 -12.012 -7.597 -4.958 1.00 0.23 O ATOM 1019 CB GLU A 404 -11.923 -10.638 -4.064 1.00 0.22 C ATOM 1020 CG GLU A 404 -12.169 -11.811 -3.145 1.00 0.24 C ATOM 1021 CD GLU A 404 -13.494 -12.494 -3.403 1.00 0.31 C ATOM 1022 OE1 GLU A 404 -14.527 -12.004 -2.902 1.00 0.53 O ATOM 1023 OE2 GLU A 404 -13.511 -13.528 -4.102 1.00 0.39 O1- ATOM 0 HA GLU A 404 -11.085 -9.449 -2.495 1.00 0.21 H new ATOM 0 HB2 GLU A 404 -12.749 -10.561 -4.771 1.00 0.22 H new ATOM 0 HB3 GLU A 404 -11.021 -10.825 -4.646 1.00 0.22 H new ATOM 0 HG2 GLU A 404 -11.363 -12.535 -3.265 1.00 0.24 H new ATOM 0 HG3 GLU A 404 -12.138 -11.468 -2.111 1.00 0.24 H new ATOM 1030 N SER A 405 -9.941 -8.179 -4.364 1.00 0.16 N ATOM 1031 CA SER A 405 -9.322 -7.353 -5.357 1.00 0.15 C ATOM 1032 C SER A 405 -8.062 -8.021 -5.799 1.00 0.13 C ATOM 1033 O SER A 405 -7.024 -7.906 -5.151 1.00 0.11 O ATOM 1034 CB SER A 405 -8.967 -5.987 -4.799 1.00 0.15 C ATOM 1035 OG SER A 405 -9.769 -5.663 -3.672 1.00 0.19 O ATOM 0 H SER A 405 -9.291 -8.652 -3.737 1.00 0.16 H new ATOM 0 HA SER A 405 -10.020 -7.219 -6.184 1.00 0.15 H new ATOM 0 HB2 SER A 405 -7.915 -5.970 -4.515 1.00 0.15 H new ATOM 0 HB3 SER A 405 -9.101 -5.230 -5.572 1.00 0.15 H new ATOM 0 HG SER A 405 -9.516 -4.779 -3.334 1.00 0.19 H new ATOM 1041 N PRO A 406 -8.132 -8.732 -6.902 1.00 0.15 N ATOM 1042 CA PRO A 406 -7.000 -9.433 -7.425 1.00 0.14 C ATOM 1043 C PRO A 406 -5.992 -8.450 -7.940 1.00 0.13 C ATOM 1044 O PRO A 406 -6.186 -7.778 -8.954 1.00 0.17 O ATOM 1045 CB PRO A 406 -7.583 -10.330 -8.511 1.00 0.18 C ATOM 1046 CG PRO A 406 -9.043 -10.293 -8.258 1.00 0.19 C ATOM 1047 CD PRO A 406 -9.310 -8.933 -7.721 1.00 0.18 C ATOM 0 HA PRO A 406 -6.464 -10.029 -6.687 1.00 0.14 H new ATOM 0 HB2 PRO A 406 -7.341 -9.960 -9.507 1.00 0.18 H new ATOM 0 HB3 PRO A 406 -7.191 -11.345 -8.444 1.00 0.18 H new ATOM 0 HG2 PRO A 406 -9.606 -10.473 -9.174 1.00 0.19 H new ATOM 0 HG3 PRO A 406 -9.339 -11.063 -7.546 1.00 0.19 H new ATOM 0 HD2 PRO A 406 -9.398 -8.186 -8.510 1.00 0.18 H new ATOM 0 HD3 PRO A 406 -10.231 -8.891 -7.139 1.00 0.18 H new ATOM 1055 N VAL A 407 -4.920 -8.394 -7.213 1.00 0.10 N ATOM 1056 CA VAL A 407 -3.937 -7.383 -7.345 1.00 0.09 C ATOM 1057 C VAL A 407 -2.705 -8.016 -7.963 1.00 0.11 C ATOM 1058 O VAL A 407 -2.503 -9.220 -7.873 1.00 0.15 O ATOM 1059 CB VAL A 407 -3.697 -6.823 -5.930 1.00 0.08 C ATOM 1060 CG1 VAL A 407 -2.441 -7.293 -5.287 1.00 0.07 C ATOM 1061 CG2 VAL A 407 -3.861 -5.334 -5.844 1.00 0.08 C ATOM 0 H VAL A 407 -4.705 -9.078 -6.488 1.00 0.10 H new ATOM 0 HA VAL A 407 -4.231 -6.558 -7.994 1.00 0.09 H new ATOM 0 HB VAL A 407 -4.501 -7.257 -5.335 1.00 0.08 H new ATOM 0 HG11 VAL A 407 -2.352 -6.850 -4.295 1.00 0.07 H new ATOM 0 HG12 VAL A 407 -2.462 -8.379 -5.199 1.00 0.07 H new ATOM 0 HG13 VAL A 407 -1.587 -6.995 -5.895 1.00 0.07 H new ATOM 0 HG21 VAL A 407 -3.678 -5.006 -4.821 1.00 0.08 H new ATOM 0 HG22 VAL A 407 -3.149 -4.850 -6.513 1.00 0.08 H new ATOM 0 HG23 VAL A 407 -4.875 -5.062 -6.136 1.00 0.08 H new ATOM 1071 N ASN A 408 -1.913 -7.228 -8.629 1.00 0.11 N ATOM 1072 CA ASN A 408 -0.779 -7.750 -9.360 1.00 0.12 C ATOM 1073 C ASN A 408 0.393 -7.850 -8.427 1.00 0.10 C ATOM 1074 O ASN A 408 1.325 -8.611 -8.667 1.00 0.11 O ATOM 1075 CB ASN A 408 -0.470 -6.826 -10.525 1.00 0.15 C ATOM 1076 CG ASN A 408 -1.592 -6.814 -11.535 1.00 0.19 C ATOM 1077 OD1 ASN A 408 -1.553 -7.510 -12.551 1.00 0.51 O ATOM 1078 ND2 ASN A 408 -2.619 -6.044 -11.240 1.00 0.38 N ATOM 0 H ASN A 408 -2.026 -6.216 -8.686 1.00 0.11 H new ATOM 0 HA ASN A 408 -0.999 -8.742 -9.755 1.00 0.12 H new ATOM 0 HB2 ASN A 408 -0.302 -5.815 -10.154 1.00 0.15 H new ATOM 0 HB3 ASN A 408 0.453 -7.145 -11.009 1.00 0.15 H new ATOM 0 HD21 ASN A 408 -3.425 -6.008 -11.864 1.00 0.38 H new ATOM 0 HD22 ASN A 408 -2.608 -5.484 -10.387 1.00 0.38 H new ATOM 1085 N TYR A 409 0.310 -7.094 -7.344 1.00 0.08 N ATOM 1086 CA TYR A 409 1.418 -6.916 -6.423 1.00 0.06 C ATOM 1087 C TYR A 409 0.871 -6.463 -5.085 1.00 0.06 C ATOM 1088 O TYR A 409 0.148 -5.470 -5.005 1.00 0.06 O ATOM 1089 CB TYR A 409 2.457 -5.906 -6.944 1.00 0.06 C ATOM 1090 CG TYR A 409 3.119 -6.325 -8.237 1.00 0.08 C ATOM 1091 CD1 TYR A 409 2.579 -5.977 -9.466 1.00 0.13 C ATOM 1092 CD2 TYR A 409 4.309 -7.035 -8.224 1.00 0.11 C ATOM 1093 CE1 TYR A 409 3.205 -6.331 -10.645 1.00 0.18 C ATOM 1094 CE2 TYR A 409 4.946 -7.384 -9.392 1.00 0.17 C ATOM 1095 CZ TYR A 409 4.280 -7.159 -10.620 1.00 0.17 C ATOM 1096 OH TYR A 409 5.019 -7.380 -11.779 1.00 0.27 O ATOM 0 H TYR A 409 -0.533 -6.584 -7.079 1.00 0.08 H new ATOM 0 HA TYR A 409 1.934 -7.871 -6.320 1.00 0.06 H new ATOM 0 HB2 TYR A 409 1.971 -4.942 -7.091 1.00 0.06 H new ATOM 0 HB3 TYR A 409 3.224 -5.763 -6.183 1.00 0.06 H new ATOM 0 HD1 TYR A 409 1.654 -5.420 -9.502 1.00 0.13 H new ATOM 0 HD2 TYR A 409 4.745 -7.320 -7.278 1.00 0.11 H new ATOM 0 HE1 TYR A 409 2.839 -5.949 -11.587 1.00 0.18 H new ATOM 0 HE2 TYR A 409 5.934 -7.821 -9.372 1.00 0.17 H new ATOM 0 HH TYR A 409 5.755 -7.998 -11.585 1.00 0.27 H new ATOM 1106 N TRP A 410 1.245 -7.171 -4.043 1.00 0.06 N ATOM 1107 CA TRP A 410 0.604 -7.037 -2.750 1.00 0.06 C ATOM 1108 C TRP A 410 1.604 -7.190 -1.633 1.00 0.06 C ATOM 1109 O TRP A 410 2.468 -8.053 -1.661 1.00 0.09 O ATOM 1110 CB TRP A 410 -0.468 -8.106 -2.663 1.00 0.07 C ATOM 1111 CG TRP A 410 -1.116 -8.288 -1.346 1.00 0.07 C ATOM 1112 CD1 TRP A 410 -1.264 -9.458 -0.720 1.00 0.08 C ATOM 1113 CD2 TRP A 410 -1.716 -7.298 -0.530 1.00 0.06 C ATOM 1114 NE1 TRP A 410 -1.958 -9.279 0.456 1.00 0.08 N ATOM 1115 CE2 TRP A 410 -2.246 -7.936 0.598 1.00 0.07 C ATOM 1116 CE3 TRP A 410 -1.853 -5.940 -0.661 1.00 0.06 C ATOM 1117 CZ2 TRP A 410 -2.923 -7.219 1.601 1.00 0.07 C ATOM 1118 CZ3 TRP A 410 -2.505 -5.225 0.306 1.00 0.07 C ATOM 1119 CH2 TRP A 410 -3.042 -5.859 1.434 1.00 0.07 C ATOM 0 H TRP A 410 2.001 -7.856 -4.066 1.00 0.06 H new ATOM 0 HA TRP A 410 0.164 -6.045 -2.647 1.00 0.06 H new ATOM 0 HB2 TRP A 410 -1.242 -7.873 -3.394 1.00 0.07 H new ATOM 0 HB3 TRP A 410 -0.026 -9.057 -2.959 1.00 0.07 H new ATOM 0 HD1 TRP A 410 -0.894 -10.406 -1.083 1.00 0.08 H new ATOM 0 HE1 TRP A 410 -2.216 -10.016 1.113 1.00 0.08 H new ATOM 0 HE3 TRP A 410 -1.447 -5.436 -1.526 1.00 0.06 H new ATOM 0 HZ2 TRP A 410 -3.333 -7.716 2.468 1.00 0.07 H new ATOM 0 HZ3 TRP A 410 -2.607 -4.155 0.198 1.00 0.07 H new ATOM 0 HH2 TRP A 410 -3.556 -5.273 2.182 1.00 0.07 H new ATOM 1130 N MET A 411 1.505 -6.316 -0.674 1.00 0.08 N ATOM 1131 CA MET A 411 2.312 -6.415 0.506 1.00 0.09 C ATOM 1132 C MET A 411 1.389 -6.561 1.701 1.00 0.12 C ATOM 1133 O MET A 411 0.938 -5.559 2.258 1.00 0.14 O ATOM 1134 CB MET A 411 3.172 -5.169 0.668 1.00 0.10 C ATOM 1135 CG MET A 411 3.880 -4.706 -0.595 1.00 0.09 C ATOM 1136 SD MET A 411 5.035 -5.917 -1.244 1.00 0.06 S ATOM 1137 CE MET A 411 5.946 -4.919 -2.410 1.00 0.06 C ATOM 0 H MET A 411 0.867 -5.520 -0.687 1.00 0.08 H new ATOM 0 HA MET A 411 2.974 -7.278 0.429 1.00 0.09 H new ATOM 0 HB2 MET A 411 2.543 -4.357 1.032 1.00 0.10 H new ATOM 0 HB3 MET A 411 3.921 -5.361 1.436 1.00 0.10 H new ATOM 0 HG2 MET A 411 3.136 -4.478 -1.358 1.00 0.09 H new ATOM 0 HG3 MET A 411 4.415 -3.780 -0.385 1.00 0.09 H new ATOM 0 HE1 MET A 411 5.656 -5.190 -3.425 1.00 0.06 H new ATOM 0 HE2 MET A 411 5.725 -3.866 -2.238 1.00 0.06 H new ATOM 0 HE3 MET A 411 7.014 -5.091 -2.280 1.00 0.06 H new ATOM 1147 N PRO A 412 1.036 -7.805 2.074 1.00 0.13 N ATOM 1148 CA PRO A 412 0.185 -8.052 3.228 1.00 0.19 C ATOM 1149 C PRO A 412 0.855 -7.596 4.505 1.00 0.25 C ATOM 1150 O PRO A 412 1.734 -8.269 5.032 1.00 0.50 O ATOM 1151 CB PRO A 412 -0.026 -9.569 3.232 1.00 0.24 C ATOM 1152 CG PRO A 412 1.099 -10.113 2.423 1.00 0.23 C ATOM 1153 CD PRO A 412 1.433 -9.055 1.409 1.00 0.16 C ATOM 0 HA PRO A 412 -0.755 -7.504 3.171 1.00 0.19 H new ATOM 0 HB2 PRO A 412 -0.012 -9.967 4.247 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -0.990 -9.835 2.798 1.00 0.24 H new ATOM 0 HG2 PRO A 412 1.960 -10.335 3.053 1.00 0.23 H new ATOM 0 HG3 PRO A 412 0.813 -11.045 1.935 1.00 0.23 H new ATOM 0 HD2 PRO A 412 2.494 -9.058 1.161 1.00 0.16 H new ATOM 0 HD3 PRO A 412 0.887 -9.205 0.478 1.00 0.16 H new ATOM 1237 N VAL A 418 -4.138 -2.345 7.224 1.00 0.32 N ATOM 1238 CA VAL A 418 -3.627 -1.745 5.993 1.00 0.26 C ATOM 1239 C VAL A 418 -2.928 -2.787 5.113 1.00 0.24 C ATOM 1240 O VAL A 418 -2.732 -3.932 5.513 1.00 0.27 O ATOM 1241 CB VAL A 418 -2.619 -0.616 6.334 1.00 0.25 C ATOM 1242 CG1 VAL A 418 -2.136 0.147 5.093 1.00 0.75 C ATOM 1243 CG2 VAL A 418 -3.229 0.345 7.329 1.00 0.75 C ATOM 0 HA VAL A 418 -4.477 -1.338 5.445 1.00 0.26 H new ATOM 0 HB VAL A 418 -1.744 -1.096 6.773 1.00 0.25 H new ATOM 0 HG11 VAL A 418 -1.433 0.924 5.394 1.00 0.75 H new ATOM 0 HG12 VAL A 418 -1.642 -0.544 4.410 1.00 0.75 H new ATOM 0 HG13 VAL A 418 -2.989 0.604 4.592 1.00 0.75 H new ATOM 0 HG21 VAL A 418 -2.512 1.133 7.560 1.00 0.75 H new ATOM 0 HG22 VAL A 418 -4.129 0.787 6.903 1.00 0.75 H new ATOM 0 HG23 VAL A 418 -3.486 -0.191 8.242 1.00 0.75 H new ATOM 1253 N GLY A 419 -2.569 -2.381 3.914 1.00 0.20 N ATOM 1254 CA GLY A 419 -1.739 -3.182 3.067 1.00 0.18 C ATOM 1255 C GLY A 419 -1.462 -2.451 1.797 1.00 0.14 C ATOM 1256 O GLY A 419 -2.376 -2.042 1.097 1.00 0.15 O ATOM 0 H GLY A 419 -2.848 -1.488 3.508 1.00 0.20 H new ATOM 0 HA2 GLY A 419 -0.803 -3.416 3.575 1.00 0.18 H new ATOM 0 HA3 GLY A 419 -2.231 -4.131 2.852 1.00 0.18 H new ATOM 1260 N ILE A 420 -0.208 -2.267 1.510 1.00 0.10 N ATOM 1261 CA ILE A 420 0.178 -1.561 0.321 1.00 0.08 C ATOM 1262 C ILE A 420 0.127 -2.500 -0.876 1.00 0.08 C ATOM 1263 O ILE A 420 0.465 -3.680 -0.764 1.00 0.09 O ATOM 1264 CB ILE A 420 1.604 -1.007 0.452 1.00 0.07 C ATOM 1265 CG1 ILE A 420 1.647 0.268 1.299 1.00 0.08 C ATOM 1266 CG2 ILE A 420 2.195 -0.754 -0.917 1.00 0.08 C ATOM 1267 CD1 ILE A 420 1.751 0.021 2.784 1.00 0.29 C ATOM 0 H ILE A 420 0.569 -2.596 2.084 1.00 0.10 H new ATOM 0 HA ILE A 420 -0.516 -0.732 0.180 1.00 0.08 H new ATOM 0 HB ILE A 420 2.203 -1.758 0.966 1.00 0.07 H new ATOM 0 HG12 ILE A 420 2.497 0.873 0.982 1.00 0.08 H new ATOM 0 HG13 ILE A 420 0.748 0.853 1.101 1.00 0.08 H new ATOM 0 HG21 ILE A 420 3.206 -0.361 -0.810 1.00 0.08 H new ATOM 0 HG22 ILE A 420 2.226 -1.688 -1.478 1.00 0.08 H new ATOM 0 HG23 ILE A 420 1.579 -0.030 -1.451 1.00 0.08 H new ATOM 0 HD11 ILE A 420 1.776 0.975 3.311 1.00 0.29 H new ATOM 0 HD12 ILE A 420 0.888 -0.556 3.118 1.00 0.29 H new ATOM 0 HD13 ILE A 420 2.664 -0.535 2.997 1.00 0.29 H new ATOM 1279 N HIS A 421 -0.304 -1.975 -2.016 1.00 0.07 N ATOM 1280 CA HIS A 421 -0.510 -2.809 -3.188 1.00 0.06 C ATOM 1281 C HIS A 421 -0.539 -1.985 -4.456 1.00 0.07 C ATOM 1282 O HIS A 421 -0.735 -0.776 -4.414 1.00 0.08 O ATOM 1283 CB HIS A 421 -1.835 -3.527 -3.044 1.00 0.06 C ATOM 1284 CG HIS A 421 -3.025 -2.639 -3.005 1.00 0.07 C ATOM 1285 ND1 HIS A 421 -3.581 -2.022 -4.099 1.00 0.08 N ATOM 1286 CD2 HIS A 421 -3.768 -2.281 -1.945 1.00 0.07 C ATOM 1287 CE1 HIS A 421 -4.627 -1.313 -3.672 1.00 0.09 C ATOM 1288 NE2 HIS A 421 -4.788 -1.437 -2.368 1.00 0.08 N ATOM 0 H HIS A 421 -0.515 -0.986 -2.152 1.00 0.07 H new ATOM 0 HA HIS A 421 0.316 -3.517 -3.257 1.00 0.06 H new ATOM 0 HB2 HIS A 421 -1.947 -4.224 -3.875 1.00 0.06 H new ATOM 0 HB3 HIS A 421 -1.813 -4.121 -2.130 1.00 0.06 H new ATOM 0 HD1 HIS A 421 -3.254 -2.093 -5.062 1.00 0.08 H new ATOM 0 HD2 HIS A 421 -3.600 -2.598 -0.926 1.00 0.07 H new ATOM 0 HE1 HIS A 421 -5.260 -0.715 -4.311 1.00 0.09 H new ATOM 1296 N ASP A 422 -0.369 -2.656 -5.583 1.00 0.07 N ATOM 1297 CA ASP A 422 -0.526 -2.024 -6.872 1.00 0.07 C ATOM 1298 C ASP A 422 -2.006 -2.062 -7.246 1.00 0.11 C ATOM 1299 O ASP A 422 -2.724 -2.966 -6.852 1.00 0.20 O ATOM 1300 CB ASP A 422 0.319 -2.750 -7.921 1.00 0.09 C ATOM 1301 CG ASP A 422 -0.456 -3.809 -8.691 1.00 0.65 C ATOM 1302 OD1 ASP A 422 -0.916 -4.786 -8.063 1.00 1.07 O1- ATOM 1303 OD2 ASP A 422 -0.610 -3.669 -9.921 1.00 0.80 O ATOM 0 H ASP A 422 -0.121 -3.644 -5.626 1.00 0.07 H new ATOM 0 HA ASP A 422 -0.186 -0.989 -6.830 1.00 0.07 H new ATOM 0 HB2 ASP A 422 0.719 -2.019 -8.624 1.00 0.09 H new ATOM 0 HB3 ASP A 422 1.171 -3.219 -7.430 1.00 0.09 H new ATOM 1308 N SER A 423 -2.468 -1.067 -7.959 1.00 0.09 N ATOM 1309 CA SER A 423 -3.887 -0.929 -8.229 1.00 0.11 C ATOM 1310 C SER A 423 -4.102 -0.645 -9.682 1.00 0.14 C ATOM 1311 O SER A 423 -4.036 0.494 -10.135 1.00 0.17 O ATOM 1312 CB SER A 423 -4.502 0.180 -7.369 1.00 0.14 C ATOM 1313 OG SER A 423 -5.854 0.396 -7.715 1.00 0.23 O ATOM 0 H SER A 423 -1.885 -0.336 -8.367 1.00 0.09 H new ATOM 0 HA SER A 423 -4.382 -1.866 -7.973 1.00 0.11 H new ATOM 0 HB2 SER A 423 -4.431 -0.090 -6.315 1.00 0.14 H new ATOM 0 HB3 SER A 423 -3.937 1.103 -7.500 1.00 0.14 H new ATOM 0 HG SER A 423 -6.226 1.107 -7.152 1.00 0.23 H new ATOM 1319 N ASP A 424 -4.394 -1.706 -10.398 1.00 0.16 N ATOM 1320 CA ASP A 424 -4.589 -1.637 -11.824 1.00 0.21 C ATOM 1321 C ASP A 424 -6.007 -1.174 -12.109 1.00 0.24 C ATOM 1322 O ASP A 424 -6.362 -0.806 -13.227 1.00 0.27 O ATOM 1323 CB ASP A 424 -4.302 -3.008 -12.425 1.00 0.24 C ATOM 1324 CG ASP A 424 -4.663 -3.123 -13.891 1.00 0.32 C ATOM 1325 OD1 ASP A 424 -3.807 -2.801 -14.744 1.00 0.42 O1- ATOM 1326 OD2 ASP A 424 -5.815 -3.503 -14.199 1.00 0.37 O ATOM 0 H ASP A 424 -4.503 -2.641 -10.006 1.00 0.16 H new ATOM 0 HA ASP A 424 -3.907 -0.919 -12.280 1.00 0.21 H new ATOM 0 HB2 ASP A 424 -3.242 -3.233 -12.303 1.00 0.24 H new ATOM 0 HB3 ASP A 424 -4.854 -3.762 -11.865 1.00 0.24 H new ATOM 1386 N GLU A 428 -6.890 6.759 -10.959 1.00 0.31 N ATOM 1387 CA GLU A 428 -6.379 7.967 -10.376 1.00 0.22 C ATOM 1388 C GLU A 428 -5.419 7.719 -9.236 1.00 0.21 C ATOM 1389 O GLU A 428 -5.459 6.699 -8.551 1.00 0.29 O ATOM 1390 CB GLU A 428 -7.502 8.799 -9.819 1.00 0.34 C ATOM 1391 CG GLU A 428 -8.400 8.036 -8.900 1.00 1.11 C ATOM 1392 CD GLU A 428 -9.477 7.245 -9.602 1.00 1.56 C ATOM 1393 OE1 GLU A 428 -9.942 7.679 -10.669 1.00 1.48 O ATOM 1394 OE2 GLU A 428 -9.886 6.202 -9.065 1.00 2.16 O1- ATOM 0 HA GLU A 428 -5.854 8.476 -11.184 1.00 0.22 H new ATOM 0 HB2 GLU A 428 -7.083 9.651 -9.283 1.00 0.34 H new ATOM 0 HB3 GLU A 428 -8.092 9.200 -10.643 1.00 0.34 H new ATOM 0 HG2 GLU A 428 -7.795 7.354 -8.303 1.00 1.11 H new ATOM 0 HG3 GLU A 428 -8.871 8.734 -8.208 1.00 1.11 H new ATOM 1401 N TYR A 429 -4.575 8.715 -9.063 1.00 0.17 N ATOM 1402 CA TYR A 429 -3.655 8.847 -7.957 1.00 0.14 C ATOM 1403 C TYR A 429 -3.251 10.287 -7.964 1.00 0.17 C ATOM 1404 O TYR A 429 -2.945 10.854 -9.015 1.00 0.21 O ATOM 1405 CB TYR A 429 -2.380 7.999 -8.008 1.00 0.12 C ATOM 1406 CG TYR A 429 -2.535 6.620 -8.587 1.00 0.13 C ATOM 1407 CD1 TYR A 429 -2.750 6.443 -9.946 1.00 0.18 C ATOM 1408 CD2 TYR A 429 -2.456 5.501 -7.780 1.00 0.15 C ATOM 1409 CE1 TYR A 429 -2.887 5.187 -10.485 1.00 0.25 C ATOM 1410 CE2 TYR A 429 -2.593 4.236 -8.312 1.00 0.20 C ATOM 1411 CZ TYR A 429 -2.809 4.087 -9.665 1.00 0.25 C ATOM 1412 OH TYR A 429 -2.934 2.835 -10.206 1.00 0.33 O ATOM 0 H TYR A 429 -4.510 9.490 -9.722 1.00 0.17 H new ATOM 0 HA TYR A 429 -4.172 8.494 -7.065 1.00 0.14 H new ATOM 0 HB2 TYR A 429 -1.632 8.536 -8.592 1.00 0.12 H new ATOM 0 HB3 TYR A 429 -1.987 7.906 -6.995 1.00 0.12 H new ATOM 0 HD1 TYR A 429 -2.811 7.307 -10.591 1.00 0.18 H new ATOM 0 HD2 TYR A 429 -2.285 5.618 -6.720 1.00 0.15 H new ATOM 0 HE1 TYR A 429 -3.055 5.065 -11.545 1.00 0.25 H new ATOM 0 HE2 TYR A 429 -2.531 3.368 -7.673 1.00 0.20 H new ATOM 0 HH TYR A 429 -3.582 2.317 -9.685 1.00 0.33 H new ATOM 1422 N GLY A 430 -3.300 10.885 -6.831 1.00 0.15 N ATOM 1423 CA GLY A 430 -2.969 12.281 -6.746 1.00 0.17 C ATOM 1424 C GLY A 430 -3.351 12.835 -5.426 1.00 0.17 C ATOM 1425 O GLY A 430 -3.399 12.093 -4.447 1.00 0.16 O ATOM 0 H GLY A 430 -3.562 10.445 -5.949 1.00 0.15 H new ATOM 0 HA2 GLY A 430 -1.899 12.416 -6.906 1.00 0.17 H new ATOM 0 HA3 GLY A 430 -3.481 12.829 -7.537 1.00 0.17 H new ATOM 1429 N GLY A 431 -3.536 14.146 -5.372 1.00 0.19 N ATOM 1430 CA GLY A 431 -4.188 14.743 -4.231 1.00 0.21 C ATOM 1431 C GLY A 431 -5.417 13.976 -3.833 1.00 0.19 C ATOM 1432 O GLY A 431 -5.863 13.067 -4.535 1.00 0.18 O ATOM 0 H GLY A 431 -3.246 14.803 -6.097 1.00 0.19 H new ATOM 0 HA2 GLY A 431 -3.493 14.779 -3.392 1.00 0.21 H new ATOM 0 HA3 GLY A 431 -4.460 15.772 -4.464 1.00 0.21 H new ATOM 1436 N ASP A 432 -6.007 14.411 -2.762 1.00 0.21 N ATOM 1437 CA ASP A 432 -6.859 13.569 -1.969 1.00 0.21 C ATOM 1438 C ASP A 432 -7.943 12.868 -2.780 1.00 0.18 C ATOM 1439 O ASP A 432 -8.964 13.429 -3.166 1.00 0.23 O ATOM 1440 CB ASP A 432 -7.476 14.438 -0.885 1.00 0.25 C ATOM 1441 CG ASP A 432 -8.288 15.607 -1.426 1.00 1.10 C ATOM 1442 OD1 ASP A 432 -7.697 16.546 -1.997 1.00 1.14 O ATOM 1443 OD2 ASP A 432 -9.533 15.583 -1.296 1.00 1.85 O1- ATOM 0 H ASP A 432 -5.913 15.363 -2.409 1.00 0.21 H new ATOM 0 HA ASP A 432 -6.257 12.767 -1.543 1.00 0.21 H new ATOM 0 HB2 ASP A 432 -8.119 13.820 -0.258 1.00 0.25 H new ATOM 0 HB3 ASP A 432 -6.682 14.824 -0.245 1.00 0.25 H new ATOM 1448 N LEU A 433 -7.649 11.597 -3.036 1.00 0.14 N ATOM 1449 CA LEU A 433 -8.590 10.654 -3.601 1.00 0.13 C ATOM 1450 C LEU A 433 -9.225 9.847 -2.488 1.00 0.12 C ATOM 1451 O LEU A 433 -10.373 9.476 -2.547 1.00 0.14 O ATOM 1452 CB LEU A 433 -7.902 9.678 -4.569 1.00 0.15 C ATOM 1453 CG LEU A 433 -7.697 10.093 -6.002 1.00 0.39 C ATOM 1454 CD1 LEU A 433 -8.157 11.481 -6.275 1.00 1.21 C ATOM 1455 CD2 LEU A 433 -6.285 9.889 -6.386 1.00 1.08 C ATOM 0 H LEU A 433 -6.731 11.193 -2.851 1.00 0.14 H new ATOM 0 HA LEU A 433 -9.340 11.224 -4.149 1.00 0.13 H new ATOM 0 HB2 LEU A 433 -6.924 9.437 -4.153 1.00 0.15 H new ATOM 0 HB3 LEU A 433 -8.482 8.755 -4.574 1.00 0.15 H new ATOM 0 HG LEU A 433 -8.323 9.455 -6.626 1.00 0.39 H new ATOM 0 HD11 LEU A 433 -7.983 11.722 -7.324 1.00 1.21 H new ATOM 0 HD12 LEU A 433 -9.222 11.561 -6.056 1.00 1.21 H new ATOM 0 HD13 LEU A 433 -7.604 12.178 -5.646 1.00 1.21 H new ATOM 0 HD21 LEU A 433 -6.143 10.191 -7.424 1.00 1.08 H new ATOM 0 HD22 LEU A 433 -5.642 10.489 -5.742 1.00 1.08 H new ATOM 0 HD23 LEU A 433 -6.027 8.836 -6.276 1.00 1.08 H new ATOM 1467 N TRP A 434 -8.425 9.559 -1.475 1.00 0.10 N ATOM 1468 CA TRP A 434 -8.797 8.623 -0.416 1.00 0.10 C ATOM 1469 C TRP A 434 -10.105 9.005 0.252 1.00 0.11 C ATOM 1470 O TRP A 434 -10.822 8.155 0.763 1.00 0.15 O ATOM 1471 CB TRP A 434 -7.661 8.537 0.607 1.00 0.10 C ATOM 1472 CG TRP A 434 -7.377 9.836 1.256 1.00 0.10 C ATOM 1473 CD1 TRP A 434 -6.515 10.803 0.833 1.00 0.11 C ATOM 1474 CD2 TRP A 434 -7.980 10.315 2.449 1.00 0.12 C ATOM 1475 NE1 TRP A 434 -6.606 11.892 1.668 1.00 0.13 N ATOM 1476 CE2 TRP A 434 -7.486 11.600 2.678 1.00 0.13 C ATOM 1477 CE3 TRP A 434 -8.911 9.780 3.340 1.00 0.13 C ATOM 1478 CZ2 TRP A 434 -7.898 12.362 3.759 1.00 0.16 C ATOM 1479 CZ3 TRP A 434 -9.311 10.535 4.409 1.00 0.14 C ATOM 1480 CH2 TRP A 434 -8.810 11.817 4.609 1.00 0.16 C ATOM 0 H TRP A 434 -7.497 9.966 -1.359 1.00 0.10 H new ATOM 0 HA TRP A 434 -8.955 7.643 -0.866 1.00 0.10 H new ATOM 0 HB2 TRP A 434 -7.920 7.803 1.370 1.00 0.10 H new ATOM 0 HB3 TRP A 434 -6.759 8.178 0.112 1.00 0.10 H new ATOM 0 HD1 TRP A 434 -5.862 10.726 -0.024 1.00 0.11 H new ATOM 0 HE1 TRP A 434 -6.102 12.772 1.555 1.00 0.13 H new ATOM 0 HE3 TRP A 434 -9.309 8.787 3.189 1.00 0.13 H new ATOM 0 HZ2 TRP A 434 -7.508 13.356 3.922 1.00 0.16 H new ATOM 0 HZ3 TRP A 434 -10.027 10.129 5.108 1.00 0.14 H new ATOM 0 HH2 TRP A 434 -9.152 12.392 5.457 1.00 0.16 H new ATOM 1491 N LYS A 435 -10.404 10.292 0.245 1.00 0.12 N ATOM 1492 CA LYS A 435 -11.593 10.795 0.887 1.00 0.14 C ATOM 1493 C LYS A 435 -12.774 10.835 -0.054 1.00 0.17 C ATOM 1494 O LYS A 435 -13.920 10.628 0.341 1.00 0.20 O ATOM 1495 CB LYS A 435 -11.310 12.187 1.420 1.00 0.15 C ATOM 1496 CG LYS A 435 -9.985 12.703 0.941 1.00 0.15 C ATOM 1497 CD LYS A 435 -9.638 14.027 1.537 1.00 0.17 C ATOM 1498 CE LYS A 435 -10.228 14.202 2.909 1.00 0.18 C ATOM 1499 NZ LYS A 435 -9.860 15.500 3.530 1.00 0.22 N1+ ATOM 0 H LYS A 435 -9.832 11.008 -0.203 1.00 0.12 H new ATOM 0 HA LYS A 435 -11.854 10.119 1.701 1.00 0.14 H new ATOM 0 HB2 LYS A 435 -12.102 12.866 1.104 1.00 0.15 H new ATOM 0 HB3 LYS A 435 -11.322 12.169 2.510 1.00 0.15 H new ATOM 0 HG2 LYS A 435 -9.207 11.981 1.189 1.00 0.15 H new ATOM 0 HG3 LYS A 435 -10.004 12.791 -0.145 1.00 0.15 H new ATOM 0 HD2 LYS A 435 -8.554 14.126 1.594 1.00 0.17 H new ATOM 0 HD3 LYS A 435 -9.997 14.823 0.884 1.00 0.17 H new ATOM 0 HE2 LYS A 435 -11.314 14.129 2.845 1.00 0.18 H new ATOM 0 HE3 LYS A 435 -9.891 13.388 3.551 1.00 0.18 H new ATOM 0 HZ1 LYS A 435 -10.293 15.569 4.473 1.00 0.22 H new ATOM 0 HZ2 LYS A 435 -8.826 15.562 3.618 1.00 0.22 H new ATOM 0 HZ3 LYS A 435 -10.204 16.280 2.934 1.00 0.22 H new ATOM 1513 N THR A 436 -12.478 11.127 -1.289 1.00 0.16 N ATOM 1514 CA THR A 436 -13.497 11.304 -2.307 1.00 0.19 C ATOM 1515 C THR A 436 -13.808 9.986 -3.003 1.00 0.19 C ATOM 1516 O THR A 436 -14.965 9.625 -3.221 1.00 0.22 O ATOM 1517 CB THR A 436 -13.008 12.347 -3.326 1.00 0.23 C ATOM 1518 OG1 THR A 436 -12.189 11.744 -4.330 1.00 0.25 O ATOM 1519 CG2 THR A 436 -12.178 13.376 -2.603 1.00 0.21 C ATOM 0 H THR A 436 -11.524 11.251 -1.628 1.00 0.16 H new ATOM 0 HA THR A 436 -14.416 11.653 -1.836 1.00 0.19 H new ATOM 0 HB THR A 436 -13.879 12.798 -3.801 1.00 0.23 H new ATOM 0 HG1 THR A 436 -11.893 12.429 -4.966 1.00 0.25 H new ATOM 0 HG21 THR A 436 -11.824 14.123 -3.314 1.00 0.21 H new ATOM 0 HG22 THR A 436 -12.785 13.861 -1.839 1.00 0.21 H new ATOM 0 HG23 THR A 436 -11.324 12.889 -2.133 1.00 0.21 H new ATOM 1527 N ARG A 437 -12.751 9.268 -3.316 1.00 0.18 N ATOM 1528 CA ARG A 437 -12.838 8.009 -4.023 1.00 0.20 C ATOM 1529 C ARG A 437 -12.912 6.866 -3.027 1.00 0.20 C ATOM 1530 O ARG A 437 -13.340 5.757 -3.345 1.00 0.24 O ATOM 1531 CB ARG A 437 -11.597 7.889 -4.898 1.00 0.24 C ATOM 1532 CG ARG A 437 -11.144 9.201 -5.406 1.00 0.27 C ATOM 1533 CD ARG A 437 -10.474 9.064 -6.727 1.00 0.40 C ATOM 1534 NE ARG A 437 -11.438 8.950 -7.816 1.00 0.71 N ATOM 1535 CZ ARG A 437 -11.550 9.819 -8.822 1.00 1.26 C ATOM 1536 NH1 ARG A 437 -10.791 10.909 -8.858 1.00 1.82 N1+ ATOM 1537 NH2 ARG A 437 -12.436 9.605 -9.788 1.00 1.47 N ATOM 0 H ARG A 437 -11.797 9.545 -3.084 1.00 0.18 H new ATOM 0 HA ARG A 437 -13.734 7.967 -4.642 1.00 0.20 H new ATOM 0 HB2 ARG A 437 -10.794 7.426 -4.325 1.00 0.24 H new ATOM 0 HB3 ARG A 437 -11.810 7.229 -5.739 1.00 0.24 H new ATOM 0 HG2 ARG A 437 -11.997 9.873 -5.496 1.00 0.27 H new ATOM 0 HG3 ARG A 437 -10.456 9.653 -4.691 1.00 0.27 H new ATOM 0 HD2 ARG A 437 -9.832 9.927 -6.900 1.00 0.40 H new ATOM 0 HD3 ARG A 437 -9.830 8.184 -6.718 1.00 0.40 H new ATOM 0 HE ARG A 437 -12.071 8.150 -7.808 1.00 0.71 H new ATOM 0 HH11 ARG A 437 -10.117 11.086 -8.113 1.00 1.82 H new ATOM 0 HH12 ARG A 437 -10.882 11.569 -9.630 1.00 1.82 H new ATOM 0 HH21 ARG A 437 -13.030 8.777 -9.760 1.00 1.47 H new ATOM 0 HH22 ARG A 437 -12.522 10.269 -10.557 1.00 1.47 H new ATOM 1551 N GLY A 438 -12.475 7.185 -1.805 1.00 0.17 N ATOM 1552 CA GLY A 438 -12.759 6.372 -0.642 1.00 0.18 C ATOM 1553 C GLY A 438 -12.361 4.914 -0.759 1.00 0.21 C ATOM 1554 O GLY A 438 -13.158 4.042 -0.421 1.00 0.24 O ATOM 0 H GLY A 438 -11.916 8.015 -1.605 1.00 0.17 H new ATOM 0 HA2 GLY A 438 -12.246 6.804 0.217 1.00 0.18 H new ATOM 0 HA3 GLY A 438 -13.828 6.424 -0.434 1.00 0.18 H new ATOM 1558 N SER A 439 -11.147 4.616 -1.197 1.00 0.22 N ATOM 1559 CA SER A 439 -10.824 3.230 -1.482 1.00 0.27 C ATOM 1560 C SER A 439 -10.452 2.475 -0.206 1.00 0.27 C ATOM 1561 O SER A 439 -9.397 2.706 0.383 1.00 0.27 O ATOM 1562 CB SER A 439 -9.669 3.147 -2.484 1.00 0.31 C ATOM 1563 OG SER A 439 -9.956 3.871 -3.672 1.00 1.01 O ATOM 0 H SER A 439 -10.396 5.287 -1.358 1.00 0.22 H new ATOM 0 HA SER A 439 -11.710 2.765 -1.913 1.00 0.27 H new ATOM 0 HB2 SER A 439 -8.761 3.541 -2.027 1.00 0.31 H new ATOM 0 HB3 SER A 439 -9.475 2.103 -2.731 1.00 0.31 H new ATOM 0 HG SER A 439 -9.199 3.799 -4.290 1.00 1.01 H new ATOM 1569 N HIS A 440 -11.340 1.552 0.177 1.00 0.29 N ATOM 1570 CA HIS A 440 -11.168 0.673 1.340 1.00 0.32 C ATOM 1571 C HIS A 440 -10.475 1.353 2.529 1.00 0.28 C ATOM 1572 O HIS A 440 -10.963 2.357 3.057 1.00 0.34 O ATOM 1573 CB HIS A 440 -10.412 -0.597 0.948 1.00 0.36 C ATOM 1574 CG HIS A 440 -11.190 -1.533 0.082 1.00 0.40 C ATOM 1575 ND1 HIS A 440 -12.478 -1.916 0.369 1.00 0.45 N ATOM 1576 CD2 HIS A 440 -10.859 -2.161 -1.072 1.00 0.42 C ATOM 1577 CE1 HIS A 440 -12.910 -2.734 -0.565 1.00 0.50 C ATOM 1578 NE2 HIS A 440 -11.950 -2.901 -1.459 1.00 0.48 N ATOM 0 H HIS A 440 -12.215 1.391 -0.322 1.00 0.29 H new ATOM 0 HA HIS A 440 -12.174 0.417 1.673 1.00 0.32 H new ATOM 0 HB2 HIS A 440 -9.497 -0.315 0.427 1.00 0.36 H new ATOM 0 HB3 HIS A 440 -10.114 -1.123 1.855 1.00 0.36 H new ATOM 0 HD2 HIS A 440 -9.914 -2.093 -1.591 1.00 0.42 H new ATOM 0 HE1 HIS A 440 -13.887 -3.193 -0.597 1.00 0.50 H new ATOM 0 HE2 HIS A 440 -12.009 -3.482 -2.295 1.00 0.48 H new ATOM 1587 N GLY A 441 -9.338 0.794 2.941 1.00 0.23 N ATOM 1588 CA GLY A 441 -8.640 1.278 4.116 1.00 0.22 C ATOM 1589 C GLY A 441 -7.148 1.462 3.906 1.00 0.17 C ATOM 1590 O GLY A 441 -6.499 2.176 4.674 1.00 0.26 O ATOM 0 H GLY A 441 -8.887 0.007 2.475 1.00 0.23 H new ATOM 0 HA2 GLY A 441 -9.075 2.230 4.420 1.00 0.22 H new ATOM 0 HA3 GLY A 441 -8.799 0.578 4.936 1.00 0.22 H new ATOM 1594 N CYS A 442 -6.586 0.815 2.887 1.00 0.10 N ATOM 1595 CA CYS A 442 -5.153 0.859 2.679 1.00 0.15 C ATOM 1596 C CYS A 442 -4.753 1.790 1.547 1.00 0.13 C ATOM 1597 O CYS A 442 -5.513 2.656 1.135 1.00 0.21 O ATOM 1598 CB CYS A 442 -4.587 -0.528 2.402 1.00 0.24 C ATOM 1599 SG CYS A 442 -5.157 -1.246 0.852 1.00 0.35 S ATOM 0 H CYS A 442 -7.101 0.261 2.202 1.00 0.10 H new ATOM 0 HA CYS A 442 -4.733 1.248 3.607 1.00 0.15 H new ATOM 0 HB2 CYS A 442 -3.499 -0.470 2.387 1.00 0.24 H new ATOM 0 HB3 CYS A 442 -4.860 -1.192 3.222 1.00 0.24 H new ATOM 0 HG CYS A 442 -4.800 -2.495 0.795 1.00 0.35 H new ATOM 1604 N ILE A 443 -3.509 1.643 1.115 1.00 0.09 N ATOM 1605 CA ILE A 443 -2.924 2.516 0.114 1.00 0.07 C ATOM 1606 C ILE A 443 -3.049 1.903 -1.271 1.00 0.08 C ATOM 1607 O ILE A 443 -2.709 0.741 -1.479 1.00 0.12 O ATOM 1608 CB ILE A 443 -1.432 2.791 0.418 1.00 0.07 C ATOM 1609 CG1 ILE A 443 -1.251 3.700 1.645 1.00 0.09 C ATOM 1610 CG2 ILE A 443 -0.740 3.414 -0.792 1.00 0.07 C ATOM 1611 CD1 ILE A 443 -1.656 3.083 2.971 1.00 0.11 C ATOM 0 H ILE A 443 -2.879 0.914 1.450 1.00 0.09 H new ATOM 0 HA ILE A 443 -3.470 3.459 0.143 1.00 0.07 H new ATOM 0 HB ILE A 443 -0.971 1.829 0.642 1.00 0.07 H new ATOM 0 HG12 ILE A 443 -0.204 3.998 1.706 1.00 0.09 H new ATOM 0 HG13 ILE A 443 -1.833 4.609 1.493 1.00 0.09 H new ATOM 0 HG21 ILE A 443 0.308 3.599 -0.556 1.00 0.07 H new ATOM 0 HG22 ILE A 443 -0.806 2.732 -1.640 1.00 0.07 H new ATOM 0 HG23 ILE A 443 -1.227 4.356 -1.045 1.00 0.07 H new ATOM 0 HD11 ILE A 443 -1.491 3.803 3.773 1.00 0.11 H new ATOM 0 HD12 ILE A 443 -2.711 2.812 2.939 1.00 0.11 H new ATOM 0 HD13 ILE A 443 -1.058 2.191 3.155 1.00 0.11 H new ATOM 1623 N ASN A 444 -3.537 2.695 -2.209 1.00 0.08 N ATOM 1624 CA ASN A 444 -3.714 2.232 -3.578 1.00 0.08 C ATOM 1625 C ASN A 444 -2.599 2.769 -4.460 1.00 0.07 C ATOM 1626 O ASN A 444 -2.650 3.902 -4.938 1.00 0.11 O ATOM 1627 CB ASN A 444 -5.078 2.647 -4.124 1.00 0.11 C ATOM 1628 CG ASN A 444 -6.221 1.753 -3.664 1.00 0.27 C ATOM 1629 OD1 ASN A 444 -7.209 1.577 -4.381 1.00 0.62 O ATOM 1630 ND2 ASN A 444 -6.098 1.166 -2.482 1.00 0.15 N ATOM 0 H ASN A 444 -3.818 3.662 -2.050 1.00 0.08 H new ATOM 0 HA ASN A 444 -3.670 1.143 -3.581 1.00 0.08 H new ATOM 0 HB2 ASN A 444 -5.285 3.672 -3.818 1.00 0.11 H new ATOM 0 HB3 ASN A 444 -5.040 2.641 -5.213 1.00 0.11 H new ATOM 0 HD21 ASN A 444 -6.834 0.547 -2.141 1.00 0.15 H new ATOM 0 HD22 ASN A 444 -5.268 1.333 -1.914 1.00 0.15 H new ATOM 1637 N THR A 445 -1.582 1.954 -4.629 1.00 0.08 N ATOM 1638 CA THR A 445 -0.407 2.290 -5.384 1.00 0.08 C ATOM 1639 C THR A 445 -0.513 1.881 -6.849 1.00 0.08 C ATOM 1640 O THR A 445 -1.088 0.867 -7.180 1.00 0.10 O ATOM 1641 CB THR A 445 0.771 1.581 -4.728 1.00 0.06 C ATOM 1642 OG1 THR A 445 0.679 1.687 -3.301 1.00 0.09 O ATOM 1643 CG2 THR A 445 2.053 2.179 -5.175 1.00 0.06 C ATOM 0 H THR A 445 -1.554 1.015 -4.232 1.00 0.08 H new ATOM 0 HA THR A 445 -0.279 3.372 -5.379 1.00 0.08 H new ATOM 0 HB THR A 445 0.741 0.532 -5.021 1.00 0.06 H new ATOM 0 HG1 THR A 445 1.556 1.923 -2.933 1.00 0.09 H new ATOM 0 HG21 THR A 445 2.883 1.660 -4.696 1.00 0.06 H new ATOM 0 HG22 THR A 445 2.141 2.084 -6.257 1.00 0.06 H new ATOM 0 HG23 THR A 445 2.078 3.234 -4.901 1.00 0.06 H new ATOM 1651 N PRO A 446 0.028 2.720 -7.739 1.00 0.08 N ATOM 1652 CA PRO A 446 0.103 2.454 -9.181 1.00 0.10 C ATOM 1653 C PRO A 446 0.670 1.098 -9.512 1.00 0.14 C ATOM 1654 O PRO A 446 1.576 0.593 -8.845 1.00 0.24 O ATOM 1655 CB PRO A 446 1.034 3.555 -9.680 1.00 0.10 C ATOM 1656 CG PRO A 446 0.833 4.670 -8.729 1.00 0.08 C ATOM 1657 CD PRO A 446 0.581 4.036 -7.401 1.00 0.07 C ATOM 0 HA PRO A 446 -0.885 2.451 -9.641 1.00 0.10 H new ATOM 0 HB2 PRO A 446 2.072 3.223 -9.689 1.00 0.10 H new ATOM 0 HB3 PRO A 446 0.786 3.853 -10.699 1.00 0.10 H new ATOM 0 HG2 PRO A 446 1.711 5.316 -8.693 1.00 0.08 H new ATOM 0 HG3 PRO A 446 -0.009 5.293 -9.030 1.00 0.08 H new ATOM 0 HD2 PRO A 446 1.499 3.947 -6.820 1.00 0.07 H new ATOM 0 HD3 PRO A 446 -0.118 4.622 -6.804 1.00 0.07 H new ATOM 1665 N PRO A 447 0.145 0.501 -10.578 1.00 0.12 N ATOM 1666 CA PRO A 447 0.509 -0.839 -10.984 1.00 0.12 C ATOM 1667 C PRO A 447 1.966 -0.935 -11.423 1.00 0.14 C ATOM 1668 O PRO A 447 2.605 -1.978 -11.285 1.00 0.31 O ATOM 1669 CB PRO A 447 -0.412 -1.113 -12.160 1.00 0.15 C ATOM 1670 CG PRO A 447 -1.514 -0.151 -12.004 1.00 0.14 C ATOM 1671 CD PRO A 447 -0.859 1.073 -11.489 1.00 0.13 C ATOM 0 HA PRO A 447 0.407 -1.553 -10.167 1.00 0.12 H new ATOM 0 HB2 PRO A 447 0.105 -0.972 -13.109 1.00 0.15 H new ATOM 0 HB3 PRO A 447 -0.778 -2.140 -12.146 1.00 0.15 H new ATOM 0 HG2 PRO A 447 -2.017 0.036 -12.953 1.00 0.14 H new ATOM 0 HG3 PRO A 447 -2.269 -0.520 -11.310 1.00 0.14 H new ATOM 0 HD2 PRO A 447 -0.404 1.662 -12.285 1.00 0.13 H new ATOM 0 HD3 PRO A 447 -1.560 1.727 -10.970 1.00 0.13 H new ATOM 1679 N SER A 448 2.491 0.171 -11.927 1.00 0.12 N ATOM 1680 CA SER A 448 3.843 0.214 -12.447 1.00 0.11 C ATOM 1681 C SER A 448 4.892 0.214 -11.335 1.00 0.09 C ATOM 1682 O SER A 448 6.042 -0.130 -11.550 1.00 0.09 O ATOM 1683 CB SER A 448 4.013 1.466 -13.301 1.00 0.14 C ATOM 1684 OG SER A 448 3.074 1.488 -14.363 1.00 1.10 O ATOM 0 H SER A 448 1.992 1.059 -11.986 1.00 0.12 H new ATOM 0 HA SER A 448 3.997 -0.685 -13.045 1.00 0.11 H new ATOM 0 HB2 SER A 448 3.887 2.353 -12.681 1.00 0.14 H new ATOM 0 HB3 SER A 448 5.025 1.501 -13.705 1.00 0.14 H new ATOM 0 HG SER A 448 3.201 2.301 -14.895 1.00 1.10 H new ATOM 1690 N VAL A 449 4.498 0.656 -10.149 1.00 0.07 N ATOM 1691 CA VAL A 449 5.458 0.912 -9.092 1.00 0.06 C ATOM 1692 C VAL A 449 5.520 -0.193 -8.078 1.00 0.05 C ATOM 1693 O VAL A 449 6.584 -0.677 -7.755 1.00 0.05 O ATOM 1694 CB VAL A 449 5.143 2.239 -8.428 1.00 0.06 C ATOM 1695 CG1 VAL A 449 5.199 3.315 -9.470 1.00 0.08 C ATOM 1696 CG2 VAL A 449 3.793 2.188 -7.775 1.00 0.06 C ATOM 0 H VAL A 449 3.527 0.843 -9.898 1.00 0.07 H new ATOM 0 HA VAL A 449 6.446 0.957 -9.551 1.00 0.06 H new ATOM 0 HB VAL A 449 5.874 2.452 -7.648 1.00 0.06 H new ATOM 0 HG11 VAL A 449 4.975 4.278 -9.011 1.00 0.08 H new ATOM 0 HG12 VAL A 449 6.196 3.345 -9.908 1.00 0.08 H new ATOM 0 HG13 VAL A 449 4.466 3.105 -10.249 1.00 0.08 H new ATOM 0 HG21 VAL A 449 3.581 3.147 -7.303 1.00 0.06 H new ATOM 0 HG22 VAL A 449 3.033 1.978 -8.527 1.00 0.06 H new ATOM 0 HG23 VAL A 449 3.783 1.402 -7.020 1.00 0.06 H new ATOM 1706 N MET A 450 4.398 -0.621 -7.586 1.00 0.05 N ATOM 1707 CA MET A 450 4.404 -1.661 -6.583 1.00 0.05 C ATOM 1708 C MET A 450 4.896 -2.965 -7.180 1.00 0.05 C ATOM 1709 O MET A 450 5.059 -3.960 -6.477 1.00 0.06 O ATOM 1710 CB MET A 450 3.038 -1.799 -5.928 1.00 0.07 C ATOM 1711 CG MET A 450 2.977 -1.299 -4.489 1.00 0.06 C ATOM 1712 SD MET A 450 3.265 -2.594 -3.263 1.00 0.06 S ATOM 1713 CE MET A 450 2.976 -4.063 -4.219 1.00 0.05 C ATOM 0 H MET A 450 3.475 -0.278 -7.852 1.00 0.05 H new ATOM 0 HA MET A 450 5.100 -1.383 -5.791 1.00 0.05 H new ATOM 0 HB2 MET A 450 2.307 -1.251 -6.522 1.00 0.07 H new ATOM 0 HB3 MET A 450 2.743 -2.848 -5.948 1.00 0.07 H new ATOM 0 HG2 MET A 450 3.718 -0.511 -4.355 1.00 0.06 H new ATOM 0 HG3 MET A 450 2.000 -0.851 -4.310 1.00 0.06 H new ATOM 0 HE1 MET A 450 2.872 -4.918 -3.550 1.00 0.05 H new ATOM 0 HE2 MET A 450 2.062 -3.944 -4.801 1.00 0.05 H new ATOM 0 HE3 MET A 450 3.816 -4.230 -4.893 1.00 0.05 H new ATOM 1723 N LYS A 451 5.182 -2.953 -8.461 1.00 0.05 N ATOM 1724 CA LYS A 451 5.777 -4.105 -9.079 1.00 0.05 C ATOM 1725 C LYS A 451 7.268 -4.071 -8.803 1.00 0.05 C ATOM 1726 O LYS A 451 7.904 -5.079 -8.483 1.00 0.06 O ATOM 1727 CB LYS A 451 5.519 -4.085 -10.565 1.00 0.06 C ATOM 1728 CG LYS A 451 6.263 -3.009 -11.216 1.00 0.06 C ATOM 1729 CD LYS A 451 6.004 -2.967 -12.674 1.00 0.08 C ATOM 1730 CE LYS A 451 7.087 -2.185 -13.335 1.00 0.10 C ATOM 1731 NZ LYS A 451 8.327 -2.981 -13.524 1.00 0.92 N1+ ATOM 0 H LYS A 451 5.013 -2.165 -9.086 1.00 0.05 H new ATOM 0 HA LYS A 451 5.343 -5.019 -8.672 1.00 0.05 H new ATOM 0 HB2 LYS A 451 5.805 -5.043 -10.999 1.00 0.06 H new ATOM 0 HB3 LYS A 451 4.452 -3.957 -10.750 1.00 0.06 H new ATOM 0 HG2 LYS A 451 5.986 -2.054 -10.770 1.00 0.06 H new ATOM 0 HG3 LYS A 451 7.330 -3.146 -11.040 1.00 0.06 H new ATOM 0 HD2 LYS A 451 5.968 -3.978 -13.080 1.00 0.08 H new ATOM 0 HD3 LYS A 451 5.035 -2.510 -12.872 1.00 0.08 H new ATOM 0 HE2 LYS A 451 6.735 -1.830 -14.304 1.00 0.10 H new ATOM 0 HE3 LYS A 451 7.313 -1.303 -12.735 1.00 0.10 H new ATOM 0 HZ1 LYS A 451 9.105 -2.544 -12.990 1.00 0.92 H new ATOM 0 HZ2 LYS A 451 8.173 -3.950 -13.180 1.00 0.92 H new ATOM 0 HZ3 LYS A 451 8.572 -3.007 -14.534 1.00 0.92 H new ATOM 1745 N GLU A 452 7.772 -2.838 -8.870 1.00 0.05 N ATOM 1746 CA GLU A 452 9.147 -2.509 -8.710 1.00 0.05 C ATOM 1747 C GLU A 452 9.520 -2.913 -7.344 1.00 0.05 C ATOM 1748 O GLU A 452 10.561 -3.483 -7.068 1.00 0.06 O ATOM 1749 CB GLU A 452 9.238 -1.014 -8.796 1.00 0.05 C ATOM 1750 CG GLU A 452 8.758 -0.466 -10.096 1.00 0.07 C ATOM 1751 CD GLU A 452 9.849 -0.291 -11.127 1.00 0.12 C ATOM 1752 OE1 GLU A 452 10.258 -1.299 -11.742 1.00 0.24 O ATOM 1753 OE2 GLU A 452 10.303 0.855 -11.331 1.00 0.25 O1- ATOM 0 H GLU A 452 7.188 -2.021 -9.046 1.00 0.05 H new ATOM 0 HA GLU A 452 9.785 -2.989 -9.452 1.00 0.05 H new ATOM 0 HB2 GLU A 452 8.654 -0.575 -7.987 1.00 0.05 H new ATOM 0 HB3 GLU A 452 10.274 -0.711 -8.643 1.00 0.05 H new ATOM 0 HG2 GLU A 452 7.994 -1.130 -10.499 1.00 0.07 H new ATOM 0 HG3 GLU A 452 8.281 0.498 -9.919 1.00 0.07 H new ATOM 1760 N LEU A 453 8.611 -2.506 -6.502 1.00 0.04 N ATOM 1761 CA LEU A 453 8.548 -2.840 -5.143 1.00 0.04 C ATOM 1762 C LEU A 453 8.749 -4.288 -4.898 1.00 0.05 C ATOM 1763 O LEU A 453 9.731 -4.667 -4.296 1.00 0.05 O ATOM 1764 CB LEU A 453 7.176 -2.458 -4.666 1.00 0.04 C ATOM 1765 CG LEU A 453 7.167 -1.877 -3.316 1.00 0.04 C ATOM 1766 CD1 LEU A 453 8.335 -0.998 -3.173 1.00 0.03 C ATOM 1767 CD2 LEU A 453 5.947 -1.086 -3.073 1.00 0.05 C ATOM 0 H LEU A 453 7.850 -1.890 -6.788 1.00 0.04 H new ATOM 0 HA LEU A 453 9.343 -2.315 -4.614 1.00 0.04 H new ATOM 0 HB2 LEU A 453 6.743 -1.742 -5.364 1.00 0.04 H new ATOM 0 HB3 LEU A 453 6.537 -3.341 -4.678 1.00 0.04 H new ATOM 0 HG LEU A 453 7.196 -2.692 -2.593 1.00 0.04 H new ATOM 0 HD11 LEU A 453 8.341 -0.560 -2.175 1.00 0.03 H new ATOM 0 HD12 LEU A 453 9.247 -1.577 -3.320 1.00 0.03 H new ATOM 0 HD13 LEU A 453 8.286 -0.204 -3.918 1.00 0.03 H new ATOM 0 HD21 LEU A 453 5.976 -0.672 -2.065 1.00 0.05 H new ATOM 0 HD22 LEU A 453 5.890 -0.273 -3.797 1.00 0.05 H new ATOM 0 HD23 LEU A 453 5.071 -1.727 -3.177 1.00 0.05 H new ATOM 1779 N PHE A 454 7.812 -5.084 -5.341 1.00 0.05 N ATOM 1780 CA PHE A 454 7.942 -6.541 -5.218 1.00 0.06 C ATOM 1781 C PHE A 454 9.351 -6.966 -5.644 1.00 0.07 C ATOM 1782 O PHE A 454 9.891 -7.972 -5.177 1.00 0.09 O ATOM 1783 CB PHE A 454 6.872 -7.273 -6.056 1.00 0.07 C ATOM 1784 CG PHE A 454 7.033 -8.782 -6.103 1.00 0.08 C ATOM 1785 CD1 PHE A 454 7.984 -9.353 -6.938 1.00 0.11 C ATOM 1786 CD2 PHE A 454 6.250 -9.637 -5.318 1.00 0.09 C ATOM 1787 CE1 PHE A 454 8.163 -10.720 -6.991 1.00 0.13 C ATOM 1788 CE2 PHE A 454 6.430 -11.006 -5.379 1.00 0.12 C ATOM 1789 CZ PHE A 454 7.386 -11.546 -6.210 1.00 0.12 C ATOM 0 H PHE A 454 6.952 -4.768 -5.789 1.00 0.05 H new ATOM 0 HA PHE A 454 7.783 -6.819 -4.176 1.00 0.06 H new ATOM 0 HB2 PHE A 454 5.888 -7.038 -5.651 1.00 0.07 H new ATOM 0 HB3 PHE A 454 6.898 -6.886 -7.074 1.00 0.07 H new ATOM 0 HD1 PHE A 454 8.596 -8.715 -7.558 1.00 0.11 H new ATOM 0 HD2 PHE A 454 5.500 -9.224 -4.660 1.00 0.09 H new ATOM 0 HE1 PHE A 454 8.912 -11.142 -7.645 1.00 0.13 H new ATOM 0 HE2 PHE A 454 5.817 -11.656 -4.772 1.00 0.12 H new ATOM 0 HZ PHE A 454 7.526 -12.616 -6.249 1.00 0.12 H new ATOM 1799 N GLY A 455 9.959 -6.122 -6.471 1.00 0.06 N ATOM 1800 CA GLY A 455 11.252 -6.421 -7.030 1.00 0.08 C ATOM 1801 C GLY A 455 12.374 -5.955 -6.128 1.00 0.08 C ATOM 1802 O GLY A 455 13.474 -6.503 -6.168 1.00 0.13 O ATOM 0 H GLY A 455 9.568 -5.226 -6.763 1.00 0.06 H new ATOM 0 HA2 GLY A 455 11.338 -7.495 -7.193 1.00 0.08 H new ATOM 0 HA3 GLY A 455 11.346 -5.942 -8.005 1.00 0.08 H new ATOM 1806 N MET A 456 12.110 -4.928 -5.318 1.00 0.06 N ATOM 1807 CA MET A 456 13.096 -4.459 -4.371 1.00 0.05 C ATOM 1808 C MET A 456 12.839 -4.922 -2.968 1.00 0.05 C ATOM 1809 O MET A 456 13.765 -5.320 -2.264 1.00 0.06 O ATOM 1810 CB MET A 456 13.214 -2.961 -4.373 1.00 0.05 C ATOM 1811 CG MET A 456 11.929 -2.258 -4.530 1.00 0.04 C ATOM 1812 SD MET A 456 11.981 -1.065 -5.855 1.00 0.05 S ATOM 1813 CE MET A 456 10.517 -0.204 -5.401 1.00 0.04 C ATOM 0 H MET A 456 11.228 -4.416 -5.306 1.00 0.06 H new ATOM 0 HA MET A 456 14.034 -4.899 -4.709 1.00 0.05 H new ATOM 0 HB2 MET A 456 13.679 -2.642 -3.440 1.00 0.05 H new ATOM 0 HB3 MET A 456 13.882 -2.661 -5.181 1.00 0.05 H new ATOM 0 HG2 MET A 456 11.140 -2.984 -4.726 1.00 0.04 H new ATOM 0 HG3 MET A 456 11.675 -1.754 -3.598 1.00 0.04 H new ATOM 0 HE1 MET A 456 9.725 -0.430 -6.115 1.00 0.04 H new ATOM 0 HE2 MET A 456 10.206 -0.516 -4.404 1.00 0.04 H new ATOM 0 HE3 MET A 456 10.711 0.869 -5.402 1.00 0.04 H new ATOM 1823 N VAL A 457 11.611 -4.848 -2.541 1.00 0.05 N ATOM 1824 CA VAL A 457 11.292 -5.280 -1.210 1.00 0.05 C ATOM 1825 C VAL A 457 11.304 -6.770 -1.107 1.00 0.07 C ATOM 1826 O VAL A 457 11.006 -7.503 -2.055 1.00 0.08 O ATOM 1827 CB VAL A 457 9.972 -4.708 -0.664 1.00 0.05 C ATOM 1828 CG1 VAL A 457 9.224 -3.912 -1.706 1.00 0.04 C ATOM 1829 CG2 VAL A 457 9.100 -5.801 -0.077 1.00 0.05 C ATOM 0 H VAL A 457 10.823 -4.498 -3.086 1.00 0.05 H new ATOM 0 HA VAL A 457 12.080 -4.872 -0.577 1.00 0.05 H new ATOM 0 HB VAL A 457 10.232 -4.018 0.139 1.00 0.05 H new ATOM 0 HG11 VAL A 457 8.299 -3.528 -1.276 1.00 0.04 H new ATOM 0 HG12 VAL A 457 9.842 -3.079 -2.040 1.00 0.04 H new ATOM 0 HG13 VAL A 457 8.990 -4.554 -2.555 1.00 0.04 H new ATOM 0 HG21 VAL A 457 8.175 -5.365 0.300 1.00 0.05 H new ATOM 0 HG22 VAL A 457 8.867 -6.535 -0.849 1.00 0.05 H new ATOM 0 HG23 VAL A 457 9.630 -6.290 0.740 1.00 0.05 H new ATOM 1839 N GLU A 458 11.677 -7.189 0.063 1.00 0.08 N ATOM 1840 CA GLU A 458 11.772 -8.565 0.370 1.00 0.10 C ATOM 1841 C GLU A 458 10.790 -8.892 1.463 1.00 0.09 C ATOM 1842 O GLU A 458 10.330 -8.005 2.178 1.00 0.10 O ATOM 1843 CB GLU A 458 13.183 -8.863 0.834 1.00 0.13 C ATOM 1844 CG GLU A 458 14.000 -7.616 1.037 1.00 0.20 C ATOM 1845 CD GLU A 458 15.301 -7.871 1.765 1.00 0.27 C ATOM 1846 OE1 GLU A 458 16.114 -8.682 1.280 1.00 0.48 O1- ATOM 1847 OE2 GLU A 458 15.515 -7.268 2.837 1.00 0.46 O ATOM 0 H GLU A 458 11.925 -6.570 0.835 1.00 0.08 H new ATOM 0 HA GLU A 458 11.544 -9.168 -0.509 1.00 0.10 H new ATOM 0 HB2 GLU A 458 13.144 -9.423 1.768 1.00 0.13 H new ATOM 0 HB3 GLU A 458 13.676 -9.501 0.100 1.00 0.13 H new ATOM 0 HG2 GLU A 458 14.215 -7.168 0.067 1.00 0.20 H new ATOM 0 HG3 GLU A 458 13.412 -6.891 1.600 1.00 0.20 H new ATOM 1854 N LYS A 459 10.429 -10.156 1.554 1.00 0.11 N ATOM 1855 CA LYS A 459 9.688 -10.627 2.695 1.00 0.13 C ATOM 1856 C LYS A 459 10.500 -10.370 3.931 1.00 0.15 C ATOM 1857 O LYS A 459 11.448 -11.094 4.238 1.00 0.18 O ATOM 1858 CB LYS A 459 9.338 -12.095 2.587 1.00 0.16 C ATOM 1859 CG LYS A 459 8.337 -12.344 1.495 1.00 0.22 C ATOM 1860 CD LYS A 459 8.873 -13.270 0.443 1.00 0.70 C ATOM 1861 CE LYS A 459 8.894 -14.710 0.925 1.00 0.40 C ATOM 1862 NZ LYS A 459 9.359 -15.647 -0.129 1.00 0.99 N1+ ATOM 0 H LYS A 459 10.637 -10.868 0.854 1.00 0.11 H new ATOM 0 HA LYS A 459 8.743 -10.086 2.741 1.00 0.13 H new ATOM 0 HB2 LYS A 459 10.242 -12.672 2.392 1.00 0.16 H new ATOM 0 HB3 LYS A 459 8.935 -12.445 3.538 1.00 0.16 H new ATOM 0 HG2 LYS A 459 7.430 -12.769 1.924 1.00 0.22 H new ATOM 0 HG3 LYS A 459 8.058 -11.396 1.036 1.00 0.22 H new ATOM 0 HD2 LYS A 459 8.260 -13.195 -0.455 1.00 0.70 H new ATOM 0 HD3 LYS A 459 9.882 -12.963 0.167 1.00 0.70 H new ATOM 0 HE2 LYS A 459 9.546 -14.791 1.794 1.00 0.40 H new ATOM 0 HE3 LYS A 459 7.894 -14.998 1.249 1.00 0.40 H new ATOM 0 HZ1 LYS A 459 9.357 -16.618 0.244 1.00 0.99 H new ATOM 0 HZ2 LYS A 459 8.722 -15.590 -0.949 1.00 0.99 H new ATOM 0 HZ3 LYS A 459 10.324 -15.390 -0.421 1.00 0.99 H new ATOM 1876 N GLY A 460 10.112 -9.329 4.621 1.00 0.15 N ATOM 1877 CA GLY A 460 10.853 -8.888 5.781 1.00 0.19 C ATOM 1878 C GLY A 460 11.124 -7.401 5.740 1.00 0.15 C ATOM 1879 O GLY A 460 11.545 -6.811 6.731 1.00 0.17 O ATOM 0 H GLY A 460 9.288 -8.769 4.402 1.00 0.15 H new ATOM 0 HA2 GLY A 460 10.293 -9.131 6.684 1.00 0.19 H new ATOM 0 HA3 GLY A 460 11.798 -9.429 5.836 1.00 0.19 H new ATOM 1883 N THR A 461 10.888 -6.800 4.584 1.00 0.12 N ATOM 1884 CA THR A 461 10.935 -5.366 4.434 1.00 0.07 C ATOM 1885 C THR A 461 9.774 -4.753 5.204 1.00 0.08 C ATOM 1886 O THR A 461 8.757 -5.402 5.417 1.00 0.13 O ATOM 1887 CB THR A 461 10.856 -5.006 2.926 1.00 0.06 C ATOM 1888 OG1 THR A 461 12.086 -5.339 2.271 1.00 0.08 O ATOM 1889 CG2 THR A 461 10.534 -3.543 2.704 1.00 0.05 C ATOM 0 H THR A 461 10.658 -7.300 3.725 1.00 0.12 H new ATOM 0 HA THR A 461 11.869 -4.969 4.833 1.00 0.07 H new ATOM 0 HB THR A 461 10.043 -5.592 2.497 1.00 0.06 H new ATOM 0 HG1 THR A 461 12.805 -5.398 2.935 1.00 0.08 H new ATOM 0 HG21 THR A 461 10.489 -3.339 1.634 1.00 0.05 H new ATOM 0 HG22 THR A 461 9.571 -3.309 3.159 1.00 0.05 H new ATOM 0 HG23 THR A 461 11.309 -2.927 3.159 1.00 0.05 H new ATOM 1897 N PRO A 462 9.907 -3.527 5.697 1.00 0.09 N ATOM 1898 CA PRO A 462 8.842 -2.861 6.364 1.00 0.14 C ATOM 1899 C PRO A 462 8.083 -1.996 5.386 1.00 0.13 C ATOM 1900 O PRO A 462 8.552 -1.738 4.278 1.00 0.18 O ATOM 1901 CB PRO A 462 9.577 -2.008 7.408 1.00 0.18 C ATOM 1902 CG PRO A 462 11.032 -2.151 7.077 1.00 0.13 C ATOM 1903 CD PRO A 462 11.074 -2.665 5.688 1.00 0.09 C ATOM 0 HA PRO A 462 8.106 -3.531 6.807 1.00 0.14 H new ATOM 0 HB2 PRO A 462 9.262 -0.966 7.358 1.00 0.18 H new ATOM 0 HB3 PRO A 462 9.367 -2.356 8.419 1.00 0.18 H new ATOM 0 HG2 PRO A 462 11.548 -1.194 7.157 1.00 0.13 H new ATOM 0 HG3 PRO A 462 11.525 -2.838 7.765 1.00 0.13 H new ATOM 0 HD2 PRO A 462 10.997 -1.869 4.948 1.00 0.09 H new ATOM 0 HD3 PRO A 462 11.993 -3.211 5.474 1.00 0.09 H new ATOM 1911 N VAL A 463 6.930 -1.551 5.771 1.00 0.09 N ATOM 1912 CA VAL A 463 6.243 -0.569 4.981 1.00 0.09 C ATOM 1913 C VAL A 463 5.889 0.572 5.881 1.00 0.08 C ATOM 1914 O VAL A 463 5.776 0.417 7.091 1.00 0.10 O ATOM 1915 CB VAL A 463 4.959 -1.080 4.312 1.00 0.19 C ATOM 1916 CG1 VAL A 463 5.178 -2.448 3.700 1.00 0.57 C ATOM 1917 CG2 VAL A 463 3.830 -1.080 5.312 1.00 0.54 C ATOM 0 H VAL A 463 6.444 -1.845 6.618 1.00 0.09 H new ATOM 0 HA VAL A 463 6.914 -0.282 4.172 1.00 0.09 H new ATOM 0 HB VAL A 463 4.686 -0.410 3.496 1.00 0.19 H new ATOM 0 HG11 VAL A 463 4.255 -2.789 3.232 1.00 0.57 H new ATOM 0 HG12 VAL A 463 5.965 -2.389 2.949 1.00 0.57 H new ATOM 0 HG13 VAL A 463 5.472 -3.152 4.478 1.00 0.57 H new ATOM 0 HG21 VAL A 463 2.920 -1.443 4.834 1.00 0.54 H new ATOM 0 HG22 VAL A 463 4.085 -1.731 6.148 1.00 0.54 H new ATOM 0 HG23 VAL A 463 3.668 -0.066 5.678 1.00 0.54 H new ATOM 1927 N LEU A 464 5.782 1.716 5.323 1.00 0.07 N ATOM 1928 CA LEU A 464 5.345 2.841 6.055 1.00 0.07 C ATOM 1929 C LEU A 464 4.332 3.549 5.245 1.00 0.07 C ATOM 1930 O LEU A 464 4.289 3.408 4.035 1.00 0.09 O ATOM 1931 CB LEU A 464 6.523 3.735 6.376 1.00 0.10 C ATOM 1932 CG LEU A 464 7.467 3.153 7.381 1.00 0.10 C ATOM 1933 CD1 LEU A 464 8.535 2.390 6.683 1.00 0.09 C ATOM 1934 CD2 LEU A 464 8.049 4.258 8.220 1.00 0.13 C ATOM 0 H LEU A 464 5.995 1.900 4.343 1.00 0.07 H new ATOM 0 HA LEU A 464 4.899 2.538 7.002 1.00 0.07 H new ATOM 0 HB2 LEU A 464 7.070 3.944 5.456 1.00 0.10 H new ATOM 0 HB3 LEU A 464 6.152 4.689 6.750 1.00 0.10 H new ATOM 0 HG LEU A 464 6.933 2.466 8.038 1.00 0.10 H new ATOM 0 HD11 LEU A 464 9.220 1.968 7.418 1.00 0.09 H new ATOM 0 HD12 LEU A 464 8.086 1.585 6.101 1.00 0.09 H new ATOM 0 HD13 LEU A 464 9.083 3.057 6.017 1.00 0.09 H new ATOM 0 HD21 LEU A 464 8.737 3.835 8.952 1.00 0.13 H new ATOM 0 HD22 LEU A 464 8.586 4.957 7.579 1.00 0.13 H new ATOM 0 HD23 LEU A 464 7.246 4.783 8.737 1.00 0.13 H new ATOM 1946 N VAL A 465 3.444 4.172 5.939 1.00 0.06 N ATOM 1947 CA VAL A 465 2.591 5.172 5.381 1.00 0.05 C ATOM 1948 C VAL A 465 2.523 6.220 6.451 1.00 0.08 C ATOM 1949 O VAL A 465 2.525 5.846 7.603 1.00 0.10 O ATOM 1950 CB VAL A 465 1.194 4.610 4.994 1.00 0.07 C ATOM 1951 CG1 VAL A 465 1.273 3.129 4.702 1.00 0.09 C ATOM 1952 CG2 VAL A 465 0.159 4.900 6.029 1.00 0.08 C ATOM 0 H VAL A 465 3.284 3.999 6.932 1.00 0.06 H new ATOM 0 HA VAL A 465 2.972 5.571 4.441 1.00 0.05 H new ATOM 0 HB VAL A 465 0.882 5.124 4.085 1.00 0.07 H new ATOM 0 HG11 VAL A 465 0.284 2.758 4.434 1.00 0.09 H new ATOM 0 HG12 VAL A 465 1.962 2.957 3.875 1.00 0.09 H new ATOM 0 HG13 VAL A 465 1.630 2.602 5.587 1.00 0.09 H new ATOM 0 HG21 VAL A 465 -0.799 4.487 5.712 1.00 0.08 H new ATOM 0 HG22 VAL A 465 0.454 4.447 6.975 1.00 0.08 H new ATOM 0 HG23 VAL A 465 0.065 5.978 6.157 1.00 0.08 H new ATOM 1962 N PHE A 466 2.586 7.494 6.094 1.00 0.10 N ATOM 1963 CA PHE A 466 2.588 8.585 7.068 1.00 0.15 C ATOM 1964 C PHE A 466 2.807 9.940 6.410 1.00 0.21 C ATOM 1965 O PHE A 466 1.821 10.699 6.308 1.00 1.09 O ATOM 1966 CB PHE A 466 3.602 8.356 8.216 1.00 0.17 C ATOM 1967 CG PHE A 466 5.067 8.252 7.834 1.00 0.20 C ATOM 1968 CD1 PHE A 466 5.524 7.223 7.023 1.00 0.14 C ATOM 1969 CD2 PHE A 466 5.976 9.188 8.274 1.00 0.36 C ATOM 1970 CE1 PHE A 466 6.865 7.134 6.671 1.00 0.20 C ATOM 1971 CE2 PHE A 466 7.329 9.098 7.922 1.00 0.41 C ATOM 1972 CZ PHE A 466 7.760 8.044 7.128 1.00 0.30 C ATOM 1973 OXT PHE A 466 3.948 10.259 6.034 1.00 1.06 O ATOM 0 H PHE A 466 2.637 7.805 5.124 1.00 0.10 H new ATOM 0 HA PHE A 466 1.593 8.590 7.513 1.00 0.15 H new ATOM 0 HB2 PHE A 466 3.496 9.173 8.929 1.00 0.17 H new ATOM 0 HB3 PHE A 466 3.322 7.440 8.737 1.00 0.17 H new ATOM 0 HD1 PHE A 466 4.828 6.481 6.660 1.00 0.14 H new ATOM 0 HD2 PHE A 466 5.641 10.003 8.899 1.00 0.36 H new ATOM 0 HE1 PHE A 466 7.197 6.333 6.028 1.00 0.20 H new ATOM 0 HE2 PHE A 466 8.031 9.843 8.266 1.00 0.41 H new ATOM 0 HZ PHE A 466 8.806 7.949 6.875 1.00 0.30 H new