USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 874 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 423 SER OG : rot 171:sc= -1.06! USER MOD Set 1.2: A 444 ASN : amide:sc= -1.5! C(o=-2.6!,f=-8.6!) USER MOD Set 2.1: A 421 HIS : no HD1:sc= -3.11! C(o=-3.4!,f=-10!) USER MOD Set 2.2: A 442 CYS SG : rot 180:sc= -0.276 USER MOD Set 3.1: A 411 MET CE :methyl -171:sc= -6.16! (180deg=-6.64!) USER MOD Set 3.2: A 450 MET CE :methyl 150:sc= -4.47 (180deg=-6.35!) USER MOD Set 4.1: A 370 SER OG : rot 47:sc= 0.399 USER MOD Set 4.2: A 377 THR OG1 : rot -134:sc= 0.797 USER MOD Set 5.1: A 372 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0522) USER MOD Set 5.2: A 374 THR OG1 : rot 180:sc= -2.72! USER MOD Set 5.3: A 375 THR OG1 : rot 61:sc= -0.204 USER MOD Set 5.4: A 440 HIS : no HD1:sc= -0.687 X(o=-3.6,f=-3.9) USER MOD Single : A 343 THR OG1 : rot 27:sc= 0.457 USER MOD Single : A 344 TYR OH : rot -63:sc= 0.0406 USER MOD Single : A 351 ASN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 352 GLN : amide:sc= -8.69! C(o=-8.7!,f=-12!) USER MOD Single : A 353 HIS :FLIP no HE2:sc= -3.01! C(o=-3.8!,f=-3!) USER MOD Single : A 354 MET CE :methyl -178:sc= -6.48! (180deg=-6.61!) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 357 TYR OH : rot 180:sc= 0 USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 80:sc= -2! USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 386 ASN :FLIP amide:sc= -0.237 F(o=-1.3,f=-0.24) USER MOD Single : A 387 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000355) 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 57:sc= -3.87! USER MOD Single : A 408 ASN :FLIP amide:sc= -0.0938 F(o=-1.1!,f=-0.094) USER MOD Single : A 409 TYR OH : rot 180:sc= 0 USER MOD Single : A 416 THR OG1 : rot -81:sc= 1.26 USER MOD Single : A 426 GLN : amide:sc= -5.15! C(o=-5.2!,f=-12!) USER MOD Single : A 429 TYR OH : rot 37:sc= -1.43! USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot -36:sc= 0.497 USER MOD Single : A 439 SER OG : rot -130:sc= -0.154 USER MOD Single : A 445 THR OG1 : rot -146:sc= 1.1 USER MOD Single : A 448 SER OG : rot 180:sc= 0 USER MOD Single : A 451 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 MET CE :methyl 178:sc= -4.34! (180deg=-4.61!) USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 72 N THR A 343 -16.132 0.404 4.450 1.00 0.23 N ATOM 73 CA THR A 343 -15.493 0.964 3.310 1.00 0.19 C ATOM 74 C THR A 343 -14.069 1.325 3.697 1.00 0.13 C ATOM 75 O THR A 343 -13.845 2.096 4.629 1.00 0.16 O ATOM 76 CB THR A 343 -16.241 2.220 2.855 1.00 0.24 C ATOM 77 OG1 THR A 343 -17.653 2.005 2.984 1.00 0.45 O ATOM 78 CG2 THR A 343 -15.926 2.535 1.419 1.00 0.20 C ATOM 0 HA THR A 343 -15.492 0.246 2.490 1.00 0.19 H new ATOM 0 HB THR A 343 -15.926 3.056 3.479 1.00 0.24 H new ATOM 0 HG1 THR A 343 -17.820 1.341 3.685 1.00 0.45 H new ATOM 0 HG21 THR A 343 -16.468 3.431 1.116 1.00 0.20 H new ATOM 0 HG22 THR A 343 -14.855 2.704 1.310 1.00 0.20 H new ATOM 0 HG23 THR A 343 -16.227 1.698 0.789 1.00 0.20 H new ATOM 86 N TYR A 344 -13.129 0.758 2.974 1.00 0.10 N ATOM 87 CA TYR A 344 -11.723 0.912 3.249 1.00 0.07 C ATOM 88 C TYR A 344 -10.906 0.555 2.037 1.00 0.06 C ATOM 89 O TYR A 344 -11.428 0.370 0.946 1.00 0.08 O ATOM 90 CB TYR A 344 -11.280 -0.007 4.381 1.00 0.08 C ATOM 91 CG TYR A 344 -11.832 -1.409 4.311 1.00 0.12 C ATOM 92 CD1 TYR A 344 -11.195 -2.405 3.589 1.00 0.14 C ATOM 93 CD2 TYR A 344 -13.004 -1.726 4.960 1.00 0.19 C ATOM 94 CE1 TYR A 344 -11.717 -3.679 3.518 1.00 0.20 C ATOM 95 CE2 TYR A 344 -13.539 -2.993 4.892 1.00 0.25 C ATOM 96 CZ TYR A 344 -12.893 -3.968 4.169 1.00 0.25 C ATOM 97 OH TYR A 344 -13.437 -5.225 4.078 1.00 0.32 O ATOM 0 H TYR A 344 -13.326 0.168 2.166 1.00 0.10 H new ATOM 0 HA TYR A 344 -11.567 1.954 3.528 1.00 0.07 H new ATOM 0 HB2 TYR A 344 -10.191 -0.060 4.382 1.00 0.08 H new ATOM 0 HB3 TYR A 344 -11.578 0.439 5.330 1.00 0.08 H new ATOM 0 HD1 TYR A 344 -10.274 -2.180 3.073 1.00 0.14 H new ATOM 0 HD2 TYR A 344 -13.514 -0.966 5.534 1.00 0.19 H new ATOM 0 HE1 TYR A 344 -11.205 -4.445 2.955 1.00 0.20 H new ATOM 0 HE2 TYR A 344 -14.462 -3.220 5.404 1.00 0.25 H new ATOM 0 HH TYR A 344 -13.668 -5.415 3.145 1.00 0.32 H new ATOM 107 N ILE A 345 -9.610 0.486 2.242 1.00 0.05 N ATOM 108 CA ILE A 345 -8.730 -0.105 1.271 1.00 0.05 C ATOM 109 C ILE A 345 -8.313 -1.468 1.786 1.00 0.05 C ATOM 110 O ILE A 345 -8.440 -1.715 2.970 1.00 0.08 O ATOM 111 CB ILE A 345 -7.477 0.745 1.018 1.00 0.06 C ATOM 112 CG1 ILE A 345 -7.829 2.209 0.929 1.00 0.07 C ATOM 113 CG2 ILE A 345 -6.840 0.301 -0.278 1.00 0.06 C ATOM 114 CD1 ILE A 345 -8.836 2.454 -0.132 1.00 0.07 C ATOM 0 H ILE A 345 -9.144 0.835 3.079 1.00 0.05 H new ATOM 0 HA ILE A 345 -9.264 -0.178 0.324 1.00 0.05 H new ATOM 0 HB ILE A 345 -6.784 0.609 1.848 1.00 0.06 H new ATOM 0 HG12 ILE A 345 -8.217 2.552 1.888 1.00 0.07 H new ATOM 0 HG13 ILE A 345 -6.930 2.790 0.722 1.00 0.07 H new ATOM 0 HG21 ILE A 345 -5.948 0.898 -0.468 1.00 0.06 H new ATOM 0 HG22 ILE A 345 -6.564 -0.751 -0.206 1.00 0.06 H new ATOM 0 HG23 ILE A 345 -7.548 0.435 -1.096 1.00 0.06 H new ATOM 0 HD11 ILE A 345 -9.070 3.518 -0.173 1.00 0.07 H new ATOM 0 HD12 ILE A 345 -8.436 2.133 -1.094 1.00 0.07 H new ATOM 0 HD13 ILE A 345 -9.743 1.891 0.090 1.00 0.07 H new ATOM 126 N GLU A 346 -7.829 -2.353 0.934 1.00 0.05 N ATOM 127 CA GLU A 346 -7.416 -3.673 1.401 1.00 0.05 C ATOM 128 C GLU A 346 -6.169 -4.130 0.709 1.00 0.05 C ATOM 129 O GLU A 346 -5.822 -3.644 -0.345 1.00 0.06 O ATOM 130 CB GLU A 346 -8.524 -4.690 1.182 1.00 0.06 C ATOM 131 CG GLU A 346 -8.722 -5.566 2.369 1.00 0.07 C ATOM 132 CD GLU A 346 -9.691 -6.718 2.148 1.00 0.09 C ATOM 133 OE1 GLU A 346 -9.368 -7.628 1.354 1.00 0.12 O ATOM 134 OE2 GLU A 346 -10.785 -6.709 2.749 1.00 0.17 O1- ATOM 0 H GLU A 346 -7.712 -2.192 -0.066 1.00 0.05 H new ATOM 0 HA GLU A 346 -7.209 -3.592 2.468 1.00 0.05 H new ATOM 0 HB2 GLU A 346 -9.455 -4.169 0.957 1.00 0.06 H new ATOM 0 HB3 GLU A 346 -8.285 -5.305 0.314 1.00 0.06 H new ATOM 0 HG2 GLU A 346 -7.756 -5.973 2.670 1.00 0.07 H new ATOM 0 HG3 GLU A 346 -9.084 -4.957 3.198 1.00 0.07 H new ATOM 141 N VAL A 347 -5.468 -5.014 1.371 1.00 0.05 N ATOM 142 CA VAL A 347 -4.221 -5.550 0.898 1.00 0.05 C ATOM 143 C VAL A 347 -4.026 -6.939 1.432 1.00 0.07 C ATOM 144 O VAL A 347 -4.251 -7.207 2.610 1.00 0.08 O ATOM 145 CB VAL A 347 -3.045 -4.713 1.399 1.00 0.06 C ATOM 146 CG1 VAL A 347 -1.737 -5.401 1.074 1.00 0.06 C ATOM 147 CG2 VAL A 347 -3.067 -3.323 0.822 1.00 0.06 C ATOM 0 H VAL A 347 -5.756 -5.389 2.275 1.00 0.05 H new ATOM 0 HA VAL A 347 -4.255 -5.545 -0.191 1.00 0.05 H new ATOM 0 HB VAL A 347 -3.139 -4.621 2.481 1.00 0.06 H new ATOM 0 HG11 VAL A 347 -0.907 -4.794 1.436 1.00 0.06 H new ATOM 0 HG12 VAL A 347 -1.710 -6.378 1.557 1.00 0.06 H new ATOM 0 HG13 VAL A 347 -1.650 -5.527 -0.005 1.00 0.06 H new ATOM 0 HG21 VAL A 347 -2.216 -2.758 1.201 1.00 0.06 H new ATOM 0 HG22 VAL A 347 -3.010 -3.379 -0.265 1.00 0.06 H new ATOM 0 HG23 VAL A 347 -3.992 -2.824 1.111 1.00 0.06 H new ATOM 157 N ASP A 348 -3.582 -7.793 0.565 1.00 0.08 N ATOM 158 CA ASP A 348 -3.178 -9.113 0.948 1.00 0.11 C ATOM 159 C ASP A 348 -1.709 -9.257 0.650 1.00 0.15 C ATOM 160 O ASP A 348 -1.285 -9.082 -0.489 1.00 0.24 O ATOM 161 CB ASP A 348 -4.007 -10.142 0.208 1.00 0.14 C ATOM 162 CG ASP A 348 -3.738 -11.569 0.642 1.00 0.18 C ATOM 163 OD1 ASP A 348 -2.563 -11.991 0.622 1.00 0.33 O ATOM 164 OD2 ASP A 348 -4.684 -12.282 1.000 1.00 0.37 O1- ATOM 0 H ASP A 348 -3.488 -7.596 -0.431 1.00 0.08 H new ATOM 0 HA ASP A 348 -3.341 -9.276 2.013 1.00 0.11 H new ATOM 0 HB2 ASP A 348 -5.064 -9.920 0.357 1.00 0.14 H new ATOM 0 HB3 ASP A 348 -3.810 -10.054 -0.860 1.00 0.14 H new ATOM 169 N LEU A 349 -0.937 -9.506 1.675 1.00 0.13 N ATOM 170 CA LEU A 349 0.498 -9.584 1.545 1.00 0.14 C ATOM 171 C LEU A 349 0.892 -10.828 0.798 1.00 0.20 C ATOM 172 O LEU A 349 1.674 -10.803 -0.148 1.00 0.32 O ATOM 173 CB LEU A 349 1.129 -9.580 2.939 1.00 0.16 C ATOM 174 CG LEU A 349 0.941 -8.317 3.761 1.00 0.14 C ATOM 175 CD1 LEU A 349 1.027 -7.097 2.901 1.00 0.14 C ATOM 176 CD2 LEU A 349 -0.368 -8.329 4.489 1.00 0.12 C ATOM 0 H LEU A 349 -1.282 -9.660 2.622 1.00 0.13 H new ATOM 0 HA LEU A 349 0.856 -8.722 0.981 1.00 0.14 H new ATOM 0 HB2 LEU A 349 0.719 -10.418 3.502 1.00 0.16 H new ATOM 0 HB3 LEU A 349 2.198 -9.761 2.831 1.00 0.16 H new ATOM 0 HG LEU A 349 1.747 -8.289 4.495 1.00 0.14 H new ATOM 0 HD11 LEU A 349 0.889 -6.208 3.516 1.00 0.14 H new ATOM 0 HD12 LEU A 349 2.005 -7.058 2.421 1.00 0.14 H new ATOM 0 HD13 LEU A 349 0.250 -7.134 2.138 1.00 0.14 H new ATOM 0 HD21 LEU A 349 -0.471 -7.411 5.068 1.00 0.12 H new ATOM 0 HD22 LEU A 349 -1.184 -8.398 3.769 1.00 0.12 H new ATOM 0 HD23 LEU A 349 -0.403 -9.187 5.160 1.00 0.12 H new ATOM 188 N GLU A 350 0.287 -11.904 1.248 1.00 0.20 N ATOM 189 CA GLU A 350 0.531 -13.239 0.743 1.00 0.24 C ATOM 190 C GLU A 350 0.262 -13.341 -0.741 1.00 0.22 C ATOM 191 O GLU A 350 1.089 -13.800 -1.519 1.00 0.31 O ATOM 192 CB GLU A 350 -0.385 -14.176 1.465 1.00 0.31 C ATOM 193 CG GLU A 350 0.063 -14.459 2.869 1.00 0.41 C ATOM 194 CD GLU A 350 1.186 -15.467 2.939 1.00 0.84 C ATOM 195 OE1 GLU A 350 0.906 -16.679 2.832 1.00 1.51 O ATOM 196 OE2 GLU A 350 2.355 -15.055 3.101 1.00 0.96 O1- ATOM 0 H GLU A 350 -0.407 -11.875 1.995 1.00 0.20 H new ATOM 0 HA GLU A 350 1.579 -13.488 0.907 1.00 0.24 H new ATOM 0 HB2 GLU A 350 -1.389 -13.751 1.487 1.00 0.31 H new ATOM 0 HB3 GLU A 350 -0.448 -15.113 0.912 1.00 0.31 H new ATOM 0 HG2 GLU A 350 0.388 -13.529 3.335 1.00 0.41 H new ATOM 0 HG3 GLU A 350 -0.784 -14.827 3.448 1.00 0.41 H new ATOM 203 N ASN A 351 -0.945 -12.954 -1.099 1.00 0.18 N ATOM 204 CA ASN A 351 -1.440 -13.087 -2.448 1.00 0.19 C ATOM 205 C ASN A 351 -1.203 -11.800 -3.174 1.00 0.21 C ATOM 206 O ASN A 351 -1.719 -11.598 -4.277 1.00 0.35 O ATOM 207 CB ASN A 351 -2.935 -13.423 -2.443 1.00 0.27 C ATOM 208 CG ASN A 351 -3.238 -14.745 -1.770 1.00 0.48 C ATOM 209 OD1 ASN A 351 -3.524 -14.696 -0.479 1.00 0.91 O flip ATOM 210 ND2 ASN A 351 -3.226 -15.798 -2.404 1.00 0.39 N flip ATOM 0 H ASN A 351 -1.614 -12.535 -0.453 1.00 0.18 H new ATOM 0 HA ASN A 351 -0.914 -13.899 -2.950 1.00 0.19 H new ATOM 0 HB2 ASN A 351 -3.479 -12.628 -1.933 1.00 0.27 H new ATOM 0 HB3 ASN A 351 -3.300 -13.451 -3.470 1.00 0.27 H new ATOM 0 HD21 ASN A 351 -3.000 -15.792 -3.399 1.00 0.39 H new ATOM 0 HD22 ASN A 351 -3.442 -16.678 -1.935 1.00 0.39 H new ATOM 217 N GLN A 352 -0.415 -10.940 -2.519 1.00 0.12 N ATOM 218 CA GLN A 352 -0.012 -9.651 -3.050 1.00 0.11 C ATOM 219 C GLN A 352 -1.092 -8.992 -3.888 1.00 0.11 C ATOM 220 O GLN A 352 -1.002 -8.921 -5.115 1.00 0.18 O ATOM 221 CB GLN A 352 1.246 -9.837 -3.845 1.00 0.18 C ATOM 222 CG GLN A 352 2.350 -10.474 -3.026 1.00 0.30 C ATOM 223 CD GLN A 352 3.458 -9.519 -2.672 1.00 1.41 C ATOM 224 OE1 GLN A 352 4.445 -9.374 -3.396 1.00 2.22 O ATOM 225 NE2 GLN A 352 3.316 -8.879 -1.527 1.00 1.92 N ATOM 0 H GLN A 352 -0.038 -11.132 -1.591 1.00 0.12 H new ATOM 0 HA GLN A 352 0.164 -8.976 -2.213 1.00 0.11 H new ATOM 0 HB2 GLN A 352 1.036 -10.459 -4.715 1.00 0.18 H new ATOM 0 HB3 GLN A 352 1.584 -8.871 -4.219 1.00 0.18 H new ATOM 0 HG2 GLN A 352 1.924 -10.880 -2.109 1.00 0.30 H new ATOM 0 HG3 GLN A 352 2.767 -11.313 -3.583 1.00 0.30 H new ATOM 0 HE21 GLN A 352 2.482 -9.029 -0.959 1.00 1.92 H new ATOM 0 HE22 GLN A 352 4.040 -8.234 -1.210 1.00 1.92 H new ATOM 234 N HIS A 353 -2.095 -8.490 -3.214 1.00 0.07 N ATOM 235 CA HIS A 353 -3.232 -7.887 -3.888 1.00 0.07 C ATOM 236 C HIS A 353 -3.862 -6.833 -2.990 1.00 0.06 C ATOM 237 O HIS A 353 -4.213 -7.098 -1.856 1.00 0.07 O ATOM 238 CB HIS A 353 -4.262 -8.959 -4.220 1.00 0.08 C ATOM 239 CG HIS A 353 -5.146 -8.603 -5.378 1.00 0.09 C ATOM 240 ND1 HIS A 353 -6.301 -7.913 -5.410 1.00 0.11 N flip ATOM 241 CD2 HIS A 353 -4.884 -8.953 -6.684 1.00 0.12 C flip ATOM 242 CE1 HIS A 353 -6.724 -7.855 -6.711 1.00 0.13 C flip ATOM 243 NE2 HIS A 353 -5.848 -8.484 -7.461 1.00 0.13 N flip ATOM 0 H HIS A 353 -2.154 -8.484 -2.196 1.00 0.07 H new ATOM 0 HA HIS A 353 -2.892 -7.417 -4.811 1.00 0.07 H new ATOM 0 HB2 HIS A 353 -3.744 -9.892 -4.442 1.00 0.08 H new ATOM 0 HB3 HIS A 353 -4.882 -9.140 -3.342 1.00 0.08 H new ATOM 0 HD1 HIS A 353 -6.778 -7.505 -4.606 1.00 0.11 H new ATOM 0 HD2 HIS A 353 -4.029 -9.520 -7.021 1.00 0.12 H new ATOM 0 HE1 HIS A 353 -7.625 -7.374 -7.061 1.00 0.13 H new ATOM 252 N MET A 354 -3.963 -5.640 -3.507 1.00 0.05 N ATOM 253 CA MET A 354 -4.521 -4.518 -2.801 1.00 0.05 C ATOM 254 C MET A 354 -5.839 -4.100 -3.430 1.00 0.04 C ATOM 255 O MET A 354 -5.932 -3.880 -4.635 1.00 0.05 O ATOM 256 CB MET A 354 -3.510 -3.394 -2.849 1.00 0.05 C ATOM 257 CG MET A 354 -3.973 -2.166 -2.123 1.00 0.06 C ATOM 258 SD MET A 354 -3.618 -0.665 -3.012 1.00 0.06 S ATOM 259 CE MET A 354 -4.658 -1.006 -4.394 1.00 0.06 C ATOM 0 H MET A 354 -3.653 -5.415 -4.452 1.00 0.05 H new ATOM 0 HA MET A 354 -4.730 -4.782 -1.764 1.00 0.05 H new ATOM 0 HB2 MET A 354 -2.572 -3.736 -2.413 1.00 0.05 H new ATOM 0 HB3 MET A 354 -3.304 -3.140 -3.889 1.00 0.05 H new ATOM 0 HG2 MET A 354 -5.047 -2.235 -1.950 1.00 0.06 H new ATOM 0 HG3 MET A 354 -3.494 -2.126 -1.145 1.00 0.06 H new ATOM 0 HE1 MET A 354 -4.572 -0.199 -5.122 1.00 0.06 H new ATOM 0 HE2 MET A 354 -4.354 -1.945 -4.855 1.00 0.06 H new ATOM 0 HE3 MET A 354 -5.693 -1.084 -4.060 1.00 0.06 H new ATOM 269 N TRP A 355 -6.849 -4.023 -2.585 1.00 0.05 N ATOM 270 CA TRP A 355 -8.208 -3.730 -2.993 1.00 0.05 C ATOM 271 C TRP A 355 -8.663 -2.389 -2.501 1.00 0.05 C ATOM 272 O TRP A 355 -8.002 -1.767 -1.700 1.00 0.05 O ATOM 273 CB TRP A 355 -9.183 -4.745 -2.436 1.00 0.06 C ATOM 274 CG TRP A 355 -9.038 -6.105 -2.989 1.00 0.07 C ATOM 275 CD1 TRP A 355 -9.627 -6.574 -4.108 1.00 0.08 C ATOM 276 CD2 TRP A 355 -8.276 -7.175 -2.438 1.00 0.08 C ATOM 277 NE1 TRP A 355 -9.274 -7.875 -4.314 1.00 0.09 N ATOM 278 CE2 TRP A 355 -8.441 -8.278 -3.288 1.00 0.08 C ATOM 279 CE3 TRP A 355 -7.467 -7.303 -1.311 1.00 0.08 C ATOM 280 CZ2 TRP A 355 -7.815 -9.502 -3.038 1.00 0.10 C ATOM 281 CZ3 TRP A 355 -6.854 -8.504 -1.065 1.00 0.09 C ATOM 282 CH2 TRP A 355 -7.028 -9.594 -1.924 1.00 0.10 C ATOM 0 H TRP A 355 -6.746 -4.165 -1.580 1.00 0.05 H new ATOM 0 HA TRP A 355 -8.197 -3.754 -4.083 1.00 0.05 H new ATOM 0 HB2 TRP A 355 -9.059 -4.792 -1.354 1.00 0.06 H new ATOM 0 HB3 TRP A 355 -10.198 -4.396 -2.626 1.00 0.06 H new ATOM 0 HD1 TRP A 355 -10.283 -6.002 -4.748 1.00 0.08 H new ATOM 0 HE1 TRP A 355 -9.575 -8.455 -5.097 1.00 0.09 H new ATOM 0 HE3 TRP A 355 -7.325 -6.468 -0.641 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 -7.948 -10.344 -3.701 1.00 0.10 H new ATOM 0 HZ3 TRP A 355 -6.226 -8.610 -0.193 1.00 0.09 H new ATOM 0 HH2 TRP A 355 -6.531 -10.527 -1.703 1.00 0.10 H new ATOM 293 N TYR A 356 -9.828 -1.989 -2.950 1.00 0.06 N ATOM 294 CA TYR A 356 -10.541 -0.891 -2.341 1.00 0.06 C ATOM 295 C TYR A 356 -11.899 -1.401 -2.004 1.00 0.06 C ATOM 296 O TYR A 356 -12.639 -1.806 -2.868 1.00 0.07 O ATOM 297 CB TYR A 356 -10.618 0.311 -3.258 1.00 0.06 C ATOM 298 CG TYR A 356 -11.448 1.465 -2.675 1.00 0.08 C ATOM 299 CD1 TYR A 356 -12.788 1.310 -2.400 1.00 0.18 C ATOM 300 CD2 TYR A 356 -10.879 2.695 -2.370 1.00 0.07 C ATOM 301 CE1 TYR A 356 -13.531 2.330 -1.845 1.00 0.22 C ATOM 302 CE2 TYR A 356 -11.616 3.720 -1.809 1.00 0.09 C ATOM 303 CZ TYR A 356 -12.964 3.585 -1.690 1.00 0.13 C ATOM 304 OH TYR A 356 -13.683 4.546 -0.987 1.00 0.20 O ATOM 0 H TYR A 356 -10.307 -2.413 -3.744 1.00 0.06 H new ATOM 0 HA TYR A 356 -10.019 -0.547 -1.448 1.00 0.06 H new ATOM 0 HB2 TYR A 356 -9.609 0.667 -3.466 1.00 0.06 H new ATOM 0 HB3 TYR A 356 -11.051 0.006 -4.211 1.00 0.06 H new ATOM 0 HD1 TYR A 356 -13.268 0.369 -2.624 1.00 0.18 H new ATOM 0 HD2 TYR A 356 -9.831 2.854 -2.577 1.00 0.07 H new ATOM 0 HE1 TYR A 356 -14.549 2.152 -1.533 1.00 0.22 H new ATOM 0 HE2 TYR A 356 -11.126 4.620 -1.468 1.00 0.09 H new ATOM 0 HH TYR A 356 -13.168 5.379 -0.953 1.00 0.20 H new ATOM 314 N TYR A 357 -12.210 -1.448 -0.744 1.00 0.09 N ATOM 315 CA TYR A 357 -13.482 -1.964 -0.346 1.00 0.11 C ATOM 316 C TYR A 357 -14.477 -0.882 -0.065 1.00 0.12 C ATOM 317 O TYR A 357 -14.249 0.025 0.719 1.00 0.14 O ATOM 318 CB TYR A 357 -13.397 -2.899 0.847 1.00 0.12 C ATOM 319 CG TYR A 357 -13.029 -4.298 0.469 1.00 0.12 C ATOM 320 CD1 TYR A 357 -11.737 -4.620 0.087 1.00 0.12 C ATOM 321 CD2 TYR A 357 -13.973 -5.299 0.516 1.00 0.14 C ATOM 322 CE1 TYR A 357 -11.401 -5.914 -0.245 1.00 0.14 C ATOM 323 CE2 TYR A 357 -13.651 -6.590 0.196 1.00 0.16 C ATOM 324 CZ TYR A 357 -12.339 -6.870 -0.273 1.00 0.14 C ATOM 325 OH TYR A 357 -12.025 -8.195 -0.498 1.00 0.18 O ATOM 0 H TYR A 357 -11.607 -1.139 0.018 1.00 0.09 H new ATOM 0 HA TYR A 357 -13.829 -2.541 -1.203 1.00 0.11 H new ATOM 0 HB2 TYR A 357 -12.660 -2.513 1.552 1.00 0.12 H new ATOM 0 HB3 TYR A 357 -14.357 -2.909 1.363 1.00 0.12 H new ATOM 0 HD1 TYR A 357 -10.984 -3.847 0.049 1.00 0.12 H new ATOM 0 HD2 TYR A 357 -14.985 -5.061 0.810 1.00 0.14 H new ATOM 0 HE1 TYR A 357 -10.377 -6.159 -0.484 1.00 0.14 H new ATOM 0 HE2 TYR A 357 -14.380 -7.381 0.298 1.00 0.16 H new ATOM 0 HH TYR A 357 -12.844 -8.733 -0.479 1.00 0.18 H new ATOM 335 N LYS A 358 -15.576 -1.024 -0.728 1.00 0.12 N ATOM 336 CA LYS A 358 -16.711 -0.226 -0.571 1.00 0.14 C ATOM 337 C LYS A 358 -17.905 -1.071 -0.862 1.00 0.17 C ATOM 338 O LYS A 358 -17.888 -1.914 -1.757 1.00 0.19 O ATOM 339 CB LYS A 358 -16.634 0.954 -1.462 1.00 0.18 C ATOM 340 CG LYS A 358 -17.927 1.556 -1.684 1.00 0.24 C ATOM 341 CD LYS A 358 -17.766 3.002 -1.532 1.00 0.28 C ATOM 342 CE LYS A 358 -17.168 3.575 -2.770 1.00 0.42 C ATOM 343 NZ LYS A 358 -17.448 5.024 -2.938 1.00 0.47 N1+ ATOM 0 H LYS A 358 -15.696 -1.750 -1.434 1.00 0.12 H new ATOM 0 HA LYS A 358 -16.783 0.156 0.447 1.00 0.14 H new ATOM 0 HB2 LYS A 358 -15.961 1.693 -1.026 1.00 0.18 H new ATOM 0 HB3 LYS A 358 -16.204 0.657 -2.419 1.00 0.18 H new ATOM 0 HG2 LYS A 358 -18.298 1.313 -2.680 1.00 0.24 H new ATOM 0 HG3 LYS A 358 -18.657 1.174 -0.970 1.00 0.24 H new ATOM 0 HD2 LYS A 358 -18.732 3.466 -1.335 1.00 0.28 H new ATOM 0 HD3 LYS A 358 -17.128 3.218 -0.675 1.00 0.28 H new ATOM 0 HE2 LYS A 358 -16.089 3.420 -2.750 1.00 0.42 H new ATOM 0 HE3 LYS A 358 -17.552 3.035 -3.635 1.00 0.42 H new ATOM 0 HZ1 LYS A 358 -17.006 5.363 -3.816 1.00 0.47 H new ATOM 0 HZ2 LYS A 358 -18.476 5.176 -2.986 1.00 0.47 H new ATOM 0 HZ3 LYS A 358 -17.058 5.549 -2.129 1.00 0.47 H new ATOM 357 N ASP A 359 -18.914 -0.866 -0.047 1.00 0.23 N ATOM 358 CA ASP A 359 -20.170 -1.564 -0.168 1.00 0.30 C ATOM 359 C ASP A 359 -19.979 -2.984 0.268 1.00 0.27 C ATOM 360 O ASP A 359 -20.817 -3.861 0.055 1.00 0.33 O ATOM 361 CB ASP A 359 -20.665 -1.495 -1.601 1.00 0.34 C ATOM 362 CG ASP A 359 -22.173 -1.403 -1.710 1.00 0.44 C ATOM 363 OD1 ASP A 359 -22.853 -2.435 -1.528 1.00 0.60 O ATOM 364 OD2 ASP A 359 -22.691 -0.304 -2.001 1.00 0.49 O1- ATOM 0 H ASP A 359 -18.884 -0.202 0.727 1.00 0.23 H new ATOM 0 HA ASP A 359 -20.921 -1.096 0.468 1.00 0.30 H new ATOM 0 HB2 ASP A 359 -20.219 -0.630 -2.091 1.00 0.34 H new ATOM 0 HB3 ASP A 359 -20.322 -2.378 -2.140 1.00 0.34 H new ATOM 369 N GLY A 360 -18.852 -3.163 0.939 1.00 0.22 N ATOM 370 CA GLY A 360 -18.469 -4.442 1.446 1.00 0.21 C ATOM 371 C GLY A 360 -17.894 -5.315 0.371 1.00 0.19 C ATOM 372 O GLY A 360 -17.747 -6.529 0.518 1.00 0.23 O ATOM 0 H GLY A 360 -18.187 -2.416 1.140 1.00 0.22 H new ATOM 0 HA2 GLY A 360 -17.735 -4.313 2.242 1.00 0.21 H new ATOM 0 HA3 GLY A 360 -19.336 -4.933 1.888 1.00 0.21 H new ATOM 376 N LYS A 361 -17.543 -4.638 -0.683 1.00 0.16 N ATOM 377 CA LYS A 361 -17.181 -5.198 -1.948 1.00 0.17 C ATOM 378 C LYS A 361 -16.007 -4.384 -2.447 1.00 0.13 C ATOM 379 O LYS A 361 -15.643 -3.411 -1.803 1.00 0.15 O ATOM 380 CB LYS A 361 -18.432 -5.051 -2.811 1.00 0.22 C ATOM 381 CG LYS A 361 -18.227 -4.876 -4.288 1.00 0.32 C ATOM 382 CD LYS A 361 -18.288 -6.181 -5.042 1.00 0.55 C ATOM 383 CE LYS A 361 -17.418 -7.212 -4.403 1.00 0.52 C ATOM 384 NZ LYS A 361 -17.386 -8.491 -5.155 1.00 0.68 N1+ ATOM 0 H LYS A 361 -17.500 -3.619 -0.680 1.00 0.16 H new ATOM 0 HA LYS A 361 -16.878 -6.245 -1.937 1.00 0.17 H new ATOM 0 HB2 LYS A 361 -19.054 -5.933 -2.658 1.00 0.22 H new ATOM 0 HB3 LYS A 361 -18.997 -4.194 -2.444 1.00 0.22 H new ATOM 0 HG2 LYS A 361 -18.987 -4.199 -4.679 1.00 0.32 H new ATOM 0 HG3 LYS A 361 -17.260 -4.405 -4.463 1.00 0.32 H new ATOM 0 HD2 LYS A 361 -19.317 -6.538 -5.074 1.00 0.55 H new ATOM 0 HD3 LYS A 361 -17.973 -6.024 -6.074 1.00 0.55 H new ATOM 0 HE2 LYS A 361 -16.404 -6.822 -4.318 1.00 0.52 H new ATOM 0 HE3 LYS A 361 -17.773 -7.401 -3.390 1.00 0.52 H new ATOM 0 HZ1 LYS A 361 -16.767 -9.167 -4.664 1.00 0.68 H new ATOM 0 HZ2 LYS A 361 -18.348 -8.883 -5.215 1.00 0.68 H new ATOM 0 HZ3 LYS A 361 -17.021 -8.321 -6.114 1.00 0.68 H new ATOM 398 N VAL A 362 -15.391 -4.737 -3.548 1.00 0.10 N ATOM 399 CA VAL A 362 -14.266 -3.950 -3.960 1.00 0.09 C ATOM 400 C VAL A 362 -14.585 -3.065 -5.104 1.00 0.09 C ATOM 401 O VAL A 362 -15.298 -3.392 -6.057 1.00 0.11 O ATOM 402 CB VAL A 362 -12.970 -4.702 -4.257 1.00 0.18 C ATOM 403 CG1 VAL A 362 -12.682 -5.729 -3.207 1.00 0.53 C ATOM 404 CG2 VAL A 362 -12.958 -5.302 -5.626 1.00 0.52 C ATOM 0 H VAL A 362 -15.636 -5.525 -4.147 1.00 0.10 H new ATOM 0 HA VAL A 362 -14.066 -3.364 -3.063 1.00 0.09 H new ATOM 0 HB VAL A 362 -12.168 -3.965 -4.232 1.00 0.18 H new ATOM 0 HG11 VAL A 362 -11.753 -6.246 -3.449 1.00 0.53 H new ATOM 0 HG12 VAL A 362 -12.584 -5.241 -2.238 1.00 0.53 H new ATOM 0 HG13 VAL A 362 -13.499 -6.450 -3.169 1.00 0.53 H new ATOM 0 HG21 VAL A 362 -12.015 -5.825 -5.786 1.00 0.52 H new ATOM 0 HG22 VAL A 362 -13.784 -6.006 -5.722 1.00 0.52 H new ATOM 0 HG23 VAL A 362 -13.066 -4.513 -6.370 1.00 0.52 H new ATOM 414 N ALA A 363 -14.042 -1.924 -4.921 1.00 0.09 N ATOM 415 CA ALA A 363 -14.074 -0.854 -5.827 1.00 0.10 C ATOM 416 C ALA A 363 -12.851 -0.913 -6.681 1.00 0.10 C ATOM 417 O ALA A 363 -12.814 -0.420 -7.809 1.00 0.12 O ATOM 418 CB ALA A 363 -14.042 0.385 -5.003 1.00 0.11 C ATOM 0 H ALA A 363 -13.526 -1.701 -4.070 1.00 0.09 H new ATOM 0 HA ALA A 363 -14.955 -0.885 -6.468 1.00 0.10 H new ATOM 0 HB1 ALA A 363 -14.065 1.257 -5.656 1.00 0.11 H new ATOM 0 HB2 ALA A 363 -14.908 0.404 -4.341 1.00 0.11 H new ATOM 0 HB3 ALA A 363 -13.130 0.402 -4.407 1.00 0.11 H new ATOM 424 N LEU A 364 -11.843 -1.540 -6.114 1.00 0.08 N ATOM 425 CA LEU A 364 -10.557 -1.552 -6.708 1.00 0.07 C ATOM 426 C LEU A 364 -9.837 -2.804 -6.275 1.00 0.06 C ATOM 427 O LEU A 364 -10.143 -3.374 -5.230 1.00 0.08 O ATOM 428 CB LEU A 364 -9.771 -0.306 -6.340 1.00 0.06 C ATOM 429 CG LEU A 364 -8.797 0.088 -7.419 1.00 0.07 C ATOM 430 CD1 LEU A 364 -9.460 0.913 -8.488 1.00 0.07 C ATOM 431 CD2 LEU A 364 -7.611 0.825 -6.891 1.00 0.06 C ATOM 0 H LEU A 364 -11.908 -2.049 -5.232 1.00 0.08 H new ATOM 0 HA LEU A 364 -10.657 -1.550 -7.793 1.00 0.07 H new ATOM 0 HB2 LEU A 364 -10.462 0.517 -6.157 1.00 0.06 H new ATOM 0 HB3 LEU A 364 -9.230 -0.481 -5.410 1.00 0.06 H new ATOM 0 HG LEU A 364 -8.445 -0.849 -7.851 1.00 0.07 H new ATOM 0 HD11 LEU A 364 -8.727 1.179 -9.250 1.00 0.07 H new ATOM 0 HD12 LEU A 364 -10.265 0.338 -8.945 1.00 0.07 H new ATOM 0 HD13 LEU A 364 -9.869 1.821 -8.045 1.00 0.07 H new ATOM 0 HD21 LEU A 364 -6.946 1.082 -7.715 1.00 0.06 H new ATOM 0 HD22 LEU A 364 -7.941 1.737 -6.393 1.00 0.06 H new ATOM 0 HD23 LEU A 364 -7.079 0.195 -6.178 1.00 0.06 H new ATOM 443 N GLU A 365 -8.907 -3.236 -7.091 1.00 0.07 N ATOM 444 CA GLU A 365 -8.202 -4.497 -6.885 1.00 0.07 C ATOM 445 C GLU A 365 -6.993 -4.549 -7.768 1.00 0.07 C ATOM 446 O GLU A 365 -7.107 -4.485 -8.993 1.00 0.09 O ATOM 447 CB GLU A 365 -9.056 -5.717 -7.224 1.00 0.09 C ATOM 448 CG GLU A 365 -10.418 -5.372 -7.808 1.00 0.22 C ATOM 449 CD GLU A 365 -10.960 -6.434 -8.741 1.00 0.26 C ATOM 450 OE1 GLU A 365 -10.320 -6.702 -9.781 1.00 0.60 O1- ATOM 451 OE2 GLU A 365 -12.020 -7.017 -8.437 1.00 0.61 O ATOM 0 H GLU A 365 -8.610 -2.727 -7.923 1.00 0.07 H new ATOM 0 HA GLU A 365 -7.941 -4.531 -5.827 1.00 0.07 H new ATOM 0 HB2 GLU A 365 -8.514 -6.342 -7.934 1.00 0.09 H new ATOM 0 HB3 GLU A 365 -9.198 -6.311 -6.321 1.00 0.09 H new ATOM 0 HG2 GLU A 365 -11.126 -5.219 -6.993 1.00 0.22 H new ATOM 0 HG3 GLU A 365 -10.345 -4.428 -8.348 1.00 0.22 H new ATOM 458 N THR A 366 -5.844 -4.679 -7.174 1.00 0.06 N ATOM 459 CA THR A 366 -4.658 -4.842 -7.943 1.00 0.06 C ATOM 460 C THR A 366 -3.647 -5.700 -7.241 1.00 0.06 C ATOM 461 O THR A 366 -3.762 -6.012 -6.066 1.00 0.07 O ATOM 462 CB THR A 366 -4.072 -3.482 -8.301 1.00 0.07 C ATOM 463 OG1 THR A 366 -2.835 -3.625 -8.986 1.00 0.09 O ATOM 464 CG2 THR A 366 -3.882 -2.674 -7.051 1.00 0.07 C ATOM 0 H THR A 366 -5.708 -4.675 -6.163 1.00 0.06 H new ATOM 0 HA THR A 366 -4.926 -5.360 -8.864 1.00 0.06 H new ATOM 0 HB THR A 366 -4.766 -2.967 -8.965 1.00 0.07 H new ATOM 0 HG1 THR A 366 -3.005 -3.838 -9.927 1.00 0.09 H new ATOM 0 HG21 THR A 366 -3.463 -1.701 -7.307 1.00 0.07 H new ATOM 0 HG22 THR A 366 -4.844 -2.536 -6.557 1.00 0.07 H new ATOM 0 HG23 THR A 366 -3.201 -3.197 -6.380 1.00 0.07 H new ATOM 472 N ASP A 367 -2.679 -6.079 -8.009 1.00 0.07 N ATOM 473 CA ASP A 367 -1.568 -6.844 -7.582 1.00 0.10 C ATOM 474 C ASP A 367 -0.534 -5.896 -7.048 1.00 0.10 C ATOM 475 O ASP A 367 -0.376 -4.787 -7.557 1.00 0.11 O ATOM 476 CB ASP A 367 -1.047 -7.635 -8.773 1.00 0.15 C ATOM 477 CG ASP A 367 -0.951 -6.844 -10.079 1.00 1.14 C ATOM 478 OD1 ASP A 367 -1.955 -6.216 -10.488 1.00 1.88 O ATOM 479 OD2 ASP A 367 0.106 -6.901 -10.738 1.00 1.54 O1- ATOM 0 H ASP A 367 -2.646 -5.848 -9.002 1.00 0.07 H new ATOM 0 HA ASP A 367 -1.834 -7.549 -6.794 1.00 0.10 H new ATOM 0 HB2 ASP A 367 -0.059 -8.025 -8.528 1.00 0.15 H new ATOM 0 HB3 ASP A 367 -1.698 -8.494 -8.933 1.00 0.15 H new ATOM 484 N ILE A 368 0.095 -6.303 -5.972 1.00 0.09 N ATOM 485 CA ILE A 368 1.052 -5.464 -5.283 1.00 0.09 C ATOM 486 C ILE A 368 2.245 -6.254 -4.787 1.00 0.09 C ATOM 487 O ILE A 368 2.403 -7.428 -5.100 1.00 0.11 O ATOM 488 CB ILE A 368 0.411 -4.758 -4.090 1.00 0.08 C ATOM 489 CG1 ILE A 368 -0.297 -5.779 -3.223 1.00 0.08 C ATOM 490 CG2 ILE A 368 -0.532 -3.665 -4.550 1.00 0.08 C ATOM 491 CD1 ILE A 368 0.466 -6.123 -1.970 1.00 0.11 C ATOM 0 H ILE A 368 -0.040 -7.221 -5.549 1.00 0.09 H new ATOM 0 HA ILE A 368 1.390 -4.727 -6.012 1.00 0.09 H new ATOM 0 HB ILE A 368 1.188 -4.277 -3.496 1.00 0.08 H new ATOM 0 HG12 ILE A 368 -1.279 -5.395 -2.949 1.00 0.08 H new ATOM 0 HG13 ILE A 368 -0.460 -6.688 -3.802 1.00 0.08 H new ATOM 0 HG21 ILE A 368 -0.975 -3.178 -3.682 1.00 0.08 H new ATOM 0 HG22 ILE A 368 0.021 -2.930 -5.136 1.00 0.08 H new ATOM 0 HG23 ILE A 368 -1.321 -4.100 -5.164 1.00 0.08 H new ATOM 0 HD11 ILE A 368 -0.094 -6.859 -1.393 1.00 0.11 H new ATOM 0 HD12 ILE A 368 1.438 -6.536 -2.238 1.00 0.11 H new ATOM 0 HD13 ILE A 368 0.607 -5.223 -1.371 1.00 0.11 H new ATOM 503 N VAL A 369 3.073 -5.585 -4.007 1.00 0.09 N ATOM 504 CA VAL A 369 4.204 -6.210 -3.344 1.00 0.09 C ATOM 505 C VAL A 369 4.582 -5.376 -2.126 1.00 0.09 C ATOM 506 O VAL A 369 4.852 -4.182 -2.226 1.00 0.11 O ATOM 507 CB VAL A 369 5.417 -6.463 -4.290 1.00 0.10 C ATOM 508 CG1 VAL A 369 5.368 -5.605 -5.534 1.00 0.10 C ATOM 509 CG2 VAL A 369 6.732 -6.238 -3.578 1.00 0.12 C ATOM 0 H VAL A 369 2.980 -4.588 -3.814 1.00 0.09 H new ATOM 0 HA VAL A 369 3.902 -7.206 -3.021 1.00 0.09 H new ATOM 0 HB VAL A 369 5.347 -7.508 -4.593 1.00 0.10 H new ATOM 0 HG11 VAL A 369 6.235 -5.820 -6.159 1.00 0.10 H new ATOM 0 HG12 VAL A 369 4.457 -5.823 -6.091 1.00 0.10 H new ATOM 0 HG13 VAL A 369 5.377 -4.553 -5.251 1.00 0.10 H new ATOM 0 HG21 VAL A 369 7.556 -6.423 -4.268 1.00 0.12 H new ATOM 0 HG22 VAL A 369 6.782 -5.209 -3.222 1.00 0.12 H new ATOM 0 HG23 VAL A 369 6.808 -6.919 -2.731 1.00 0.12 H new ATOM 519 N SER A 370 4.514 -6.002 -0.969 1.00 0.09 N ATOM 520 CA SER A 370 4.568 -5.298 0.287 1.00 0.10 C ATOM 521 C SER A 370 5.354 -6.059 1.345 1.00 0.10 C ATOM 522 O SER A 370 5.280 -7.280 1.427 1.00 0.10 O ATOM 523 CB SER A 370 3.152 -5.106 0.764 1.00 0.12 C ATOM 524 OG SER A 370 3.128 -4.792 2.129 1.00 0.70 O ATOM 0 H SER A 370 4.420 -7.013 -0.877 1.00 0.09 H new ATOM 0 HA SER A 370 5.077 -4.347 0.132 1.00 0.10 H new ATOM 0 HB2 SER A 370 2.676 -4.308 0.194 1.00 0.12 H new ATOM 0 HB3 SER A 370 2.576 -6.014 0.584 1.00 0.12 H new ATOM 0 HG SER A 370 3.791 -4.095 2.316 1.00 0.70 H new ATOM 530 N GLY A 371 6.066 -5.310 2.170 1.00 0.09 N ATOM 531 CA GLY A 371 6.559 -5.848 3.417 1.00 0.10 C ATOM 532 C GLY A 371 7.700 -6.851 3.322 1.00 0.11 C ATOM 533 O GLY A 371 7.631 -7.879 3.985 1.00 0.13 O ATOM 0 H GLY A 371 6.312 -4.335 1.997 1.00 0.09 H new ATOM 0 HA2 GLY A 371 6.887 -5.017 4.041 1.00 0.10 H new ATOM 0 HA3 GLY A 371 5.727 -6.326 3.935 1.00 0.10 H new ATOM 537 N LYS A 372 8.717 -6.583 2.497 1.00 0.11 N ATOM 538 CA LYS A 372 9.787 -7.525 2.243 1.00 0.14 C ATOM 539 C LYS A 372 10.309 -8.094 3.540 1.00 0.16 C ATOM 540 O LYS A 372 10.358 -7.396 4.541 1.00 0.19 O ATOM 541 CB LYS A 372 10.900 -6.826 1.492 1.00 0.17 C ATOM 542 CG LYS A 372 11.582 -5.736 2.261 1.00 0.22 C ATOM 543 CD LYS A 372 12.980 -6.134 2.517 1.00 0.30 C ATOM 544 CE LYS A 372 13.957 -5.281 1.746 1.00 0.47 C ATOM 545 NZ LYS A 372 15.351 -5.781 1.855 1.00 0.48 N1+ ATOM 0 H LYS A 372 8.812 -5.703 1.991 1.00 0.11 H new ATOM 0 HA LYS A 372 9.404 -8.348 1.640 1.00 0.14 H new ATOM 0 HB2 LYS A 372 11.644 -7.567 1.199 1.00 0.17 H new ATOM 0 HB3 LYS A 372 10.492 -6.404 0.574 1.00 0.17 H new ATOM 0 HG2 LYS A 372 11.553 -4.803 1.698 1.00 0.22 H new ATOM 0 HG3 LYS A 372 11.063 -5.557 3.202 1.00 0.22 H new ATOM 0 HD2 LYS A 372 13.191 -6.054 3.583 1.00 0.30 H new ATOM 0 HD3 LYS A 372 13.116 -7.180 2.243 1.00 0.30 H new ATOM 0 HE2 LYS A 372 13.664 -5.255 0.696 1.00 0.47 H new ATOM 0 HE3 LYS A 372 13.911 -4.256 2.115 1.00 0.47 H new ATOM 0 HZ1 LYS A 372 15.969 -5.226 1.230 1.00 0.48 H new ATOM 0 HZ2 LYS A 372 15.678 -5.686 2.838 1.00 0.48 H new ATOM 0 HZ3 LYS A 372 15.384 -6.782 1.574 1.00 0.48 H new ATOM 559 N PRO A 373 10.670 -9.363 3.512 1.00 0.18 N ATOM 560 CA PRO A 373 11.026 -10.180 4.680 1.00 0.20 C ATOM 561 C PRO A 373 11.753 -9.446 5.822 1.00 0.20 C ATOM 562 O PRO A 373 11.560 -9.765 6.996 1.00 0.22 O ATOM 563 CB PRO A 373 11.909 -11.208 4.018 1.00 0.23 C ATOM 564 CG PRO A 373 11.149 -11.504 2.789 1.00 0.22 C ATOM 565 CD PRO A 373 10.769 -10.150 2.281 1.00 0.19 C ATOM 0 HA PRO A 373 10.151 -10.557 5.209 1.00 0.20 H new ATOM 0 HB2 PRO A 373 12.903 -10.816 3.801 1.00 0.23 H new ATOM 0 HB3 PRO A 373 12.044 -12.093 4.639 1.00 0.23 H new ATOM 0 HG2 PRO A 373 11.754 -12.050 2.065 1.00 0.22 H new ATOM 0 HG3 PRO A 373 10.271 -12.116 2.997 1.00 0.22 H new ATOM 0 HD2 PRO A 373 11.520 -9.747 1.601 1.00 0.19 H new ATOM 0 HD3 PRO A 373 9.825 -10.172 1.737 1.00 0.19 H new ATOM 573 N THR A 374 12.568 -8.452 5.479 1.00 0.20 N ATOM 574 CA THR A 374 13.343 -7.721 6.462 1.00 0.23 C ATOM 575 C THR A 374 12.480 -6.678 7.162 1.00 0.20 C ATOM 576 O THR A 374 12.664 -6.391 8.345 1.00 0.23 O ATOM 577 CB THR A 374 14.537 -7.024 5.788 1.00 0.28 C ATOM 578 OG1 THR A 374 14.155 -5.738 5.266 1.00 0.28 O ATOM 579 CG2 THR A 374 15.047 -7.876 4.648 1.00 0.30 C ATOM 0 H THR A 374 12.705 -8.137 4.519 1.00 0.20 H new ATOM 0 HA THR A 374 13.708 -8.434 7.201 1.00 0.23 H new ATOM 0 HB THR A 374 15.316 -6.888 6.538 1.00 0.28 H new ATOM 0 HG1 THR A 374 14.930 -5.313 4.844 1.00 0.28 H new ATOM 0 HG21 THR A 374 15.893 -7.379 4.173 1.00 0.30 H new ATOM 0 HG22 THR A 374 15.364 -8.845 5.032 1.00 0.30 H new ATOM 0 HG23 THR A 374 14.252 -8.018 3.916 1.00 0.30 H new ATOM 587 N THR A 375 11.541 -6.111 6.414 1.00 0.18 N ATOM 588 CA THR A 375 10.646 -5.101 6.945 1.00 0.18 C ATOM 589 C THR A 375 9.237 -5.299 6.401 1.00 0.14 C ATOM 590 O THR A 375 8.764 -4.572 5.526 1.00 0.13 O ATOM 591 CB THR A 375 11.132 -3.677 6.650 1.00 0.23 C ATOM 592 OG1 THR A 375 12.558 -3.596 6.805 1.00 0.30 O ATOM 593 CG2 THR A 375 10.456 -2.699 7.594 1.00 0.27 C ATOM 0 H THR A 375 11.383 -6.338 5.432 1.00 0.18 H new ATOM 0 HA THR A 375 10.635 -5.222 8.028 1.00 0.18 H new ATOM 0 HB THR A 375 10.875 -3.423 5.622 1.00 0.23 H new ATOM 0 HG1 THR A 375 12.991 -4.202 6.168 1.00 0.30 H new ATOM 0 HG21 THR A 375 10.804 -1.688 7.381 1.00 0.27 H new ATOM 0 HG22 THR A 375 9.376 -2.747 7.456 1.00 0.27 H new ATOM 0 HG23 THR A 375 10.702 -2.958 8.624 1.00 0.27 H new ATOM 601 N PRO A 376 8.591 -6.330 6.916 1.00 0.13 N ATOM 602 CA PRO A 376 7.248 -6.759 6.533 1.00 0.11 C ATOM 603 C PRO A 376 6.143 -5.827 6.979 1.00 0.11 C ATOM 604 O PRO A 376 6.304 -4.998 7.876 1.00 0.15 O ATOM 605 CB PRO A 376 7.093 -8.087 7.255 1.00 0.14 C ATOM 606 CG PRO A 376 8.463 -8.484 7.586 1.00 0.16 C ATOM 607 CD PRO A 376 9.159 -7.219 7.904 1.00 0.15 C ATOM 0 HA PRO A 376 7.157 -6.797 5.447 1.00 0.11 H new ATOM 0 HB2 PRO A 376 6.482 -7.983 8.152 1.00 0.14 H new ATOM 0 HB3 PRO A 376 6.606 -8.829 6.622 1.00 0.14 H new ATOM 0 HG2 PRO A 376 8.482 -9.169 8.433 1.00 0.16 H new ATOM 0 HG3 PRO A 376 8.939 -8.997 6.750 1.00 0.16 H new ATOM 0 HD2 PRO A 376 8.959 -6.884 8.922 1.00 0.15 H new ATOM 0 HD3 PRO A 376 10.241 -7.308 7.804 1.00 0.15 H new ATOM 615 N THR A 377 5.012 -5.998 6.322 1.00 0.08 N ATOM 616 CA THR A 377 3.803 -5.281 6.631 1.00 0.08 C ATOM 617 C THR A 377 3.160 -5.820 7.906 1.00 0.08 C ATOM 618 O THR A 377 3.317 -6.986 8.266 1.00 0.11 O ATOM 619 CB THR A 377 2.817 -5.425 5.467 1.00 0.09 C ATOM 620 OG1 THR A 377 3.436 -6.191 4.427 1.00 0.12 O ATOM 621 CG2 THR A 377 2.389 -4.081 4.919 1.00 0.11 C ATOM 0 H THR A 377 4.912 -6.652 5.546 1.00 0.08 H new ATOM 0 HA THR A 377 4.053 -4.231 6.785 1.00 0.08 H new ATOM 0 HB THR A 377 1.924 -5.929 5.837 1.00 0.09 H new ATOM 0 HG1 THR A 377 3.276 -5.758 3.562 1.00 0.12 H new ATOM 0 HG21 THR A 377 1.690 -4.230 4.096 1.00 0.11 H new ATOM 0 HG22 THR A 377 1.904 -3.505 5.707 1.00 0.11 H new ATOM 0 HG23 THR A 377 3.264 -3.539 4.559 1.00 0.11 H new ATOM 629 N PRO A 378 2.402 -4.949 8.564 1.00 0.07 N ATOM 630 CA PRO A 378 1.816 -5.175 9.881 1.00 0.07 C ATOM 631 C PRO A 378 0.540 -6.002 9.850 1.00 0.07 C ATOM 632 O PRO A 378 0.397 -6.948 10.623 1.00 0.09 O ATOM 633 CB PRO A 378 1.473 -3.764 10.360 1.00 0.08 C ATOM 634 CG PRO A 378 1.787 -2.834 9.242 1.00 0.09 C ATOM 635 CD PRO A 378 2.038 -3.653 8.038 1.00 0.08 C ATOM 0 HA PRO A 378 2.505 -5.731 10.516 1.00 0.07 H new ATOM 0 HB2 PRO A 378 0.420 -3.696 10.634 1.00 0.08 H new ATOM 0 HB3 PRO A 378 2.051 -3.508 11.248 1.00 0.08 H new ATOM 0 HG2 PRO A 378 0.959 -2.146 9.072 1.00 0.09 H new ATOM 0 HG3 PRO A 378 2.660 -2.228 9.482 1.00 0.09 H new ATOM 0 HD2 PRO A 378 1.152 -3.714 7.405 1.00 0.08 H new ATOM 0 HD3 PRO A 378 2.837 -3.231 7.428 1.00 0.08 H new ATOM 643 N ALA A 379 -0.386 -5.615 8.971 1.00 0.06 N ATOM 644 CA ALA A 379 -1.686 -6.255 8.851 1.00 0.07 C ATOM 645 C ALA A 379 -2.585 -6.030 10.057 1.00 0.07 C ATOM 646 O ALA A 379 -2.245 -6.352 11.197 1.00 0.09 O ATOM 647 CB ALA A 379 -1.518 -7.710 8.520 1.00 0.08 C ATOM 0 H ALA A 379 -0.248 -4.842 8.320 1.00 0.06 H new ATOM 0 HA ALA A 379 -2.210 -5.774 8.025 1.00 0.07 H new ATOM 0 HB1 ALA A 379 -2.498 -8.179 8.433 1.00 0.08 H new ATOM 0 HB2 ALA A 379 -0.983 -7.809 7.575 1.00 0.08 H new ATOM 0 HB3 ALA A 379 -0.951 -8.200 9.311 1.00 0.08 H new ATOM 653 N GLY A 380 -3.749 -5.461 9.770 1.00 0.08 N ATOM 654 CA GLY A 380 -4.691 -5.101 10.797 1.00 0.10 C ATOM 655 C GLY A 380 -5.764 -4.191 10.272 1.00 0.10 C ATOM 656 O GLY A 380 -6.417 -4.496 9.278 1.00 0.11 O ATOM 0 H GLY A 380 -4.056 -5.241 8.822 1.00 0.08 H new ATOM 0 HA2 GLY A 380 -5.147 -6.003 11.205 1.00 0.10 H new ATOM 0 HA3 GLY A 380 -4.166 -4.610 11.616 1.00 0.10 H new ATOM 660 N VAL A 381 -5.909 -3.062 10.928 1.00 0.11 N ATOM 661 CA VAL A 381 -6.907 -2.077 10.580 1.00 0.12 C ATOM 662 C VAL A 381 -6.221 -0.725 10.461 1.00 0.12 C ATOM 663 O VAL A 381 -5.864 -0.100 11.460 1.00 0.21 O ATOM 664 CB VAL A 381 -8.010 -2.002 11.642 1.00 0.16 C ATOM 665 CG1 VAL A 381 -9.015 -0.907 11.311 1.00 0.89 C ATOM 666 CG2 VAL A 381 -8.710 -3.341 11.786 1.00 0.87 C ATOM 0 H VAL A 381 -5.331 -2.799 11.726 1.00 0.11 H new ATOM 0 HA VAL A 381 -7.373 -2.360 9.636 1.00 0.12 H new ATOM 0 HB VAL A 381 -7.541 -1.754 12.594 1.00 0.16 H new ATOM 0 HG11 VAL A 381 -9.786 -0.876 12.081 1.00 0.89 H new ATOM 0 HG12 VAL A 381 -8.504 0.055 11.270 1.00 0.89 H new ATOM 0 HG13 VAL A 381 -9.475 -1.115 10.345 1.00 0.89 H new ATOM 0 HG21 VAL A 381 -9.489 -3.265 12.545 1.00 0.87 H new ATOM 0 HG22 VAL A 381 -9.158 -3.622 10.833 1.00 0.87 H new ATOM 0 HG23 VAL A 381 -7.986 -4.100 12.084 1.00 0.87 H new ATOM 676 N PHE A 382 -6.021 -0.302 9.242 1.00 0.10 N ATOM 677 CA PHE A 382 -5.205 0.846 8.937 1.00 0.10 C ATOM 678 C PHE A 382 -6.081 1.977 8.447 1.00 0.09 C ATOM 679 O PHE A 382 -7.181 1.719 8.001 1.00 0.11 O ATOM 680 CB PHE A 382 -4.277 0.423 7.824 1.00 0.16 C ATOM 681 CG PHE A 382 -3.371 -0.696 8.193 1.00 0.11 C ATOM 682 CD1 PHE A 382 -2.239 -0.439 8.939 1.00 0.14 C ATOM 683 CD2 PHE A 382 -3.638 -1.990 7.798 1.00 0.08 C ATOM 684 CE1 PHE A 382 -1.390 -1.449 9.292 1.00 0.15 C ATOM 685 CE2 PHE A 382 -2.787 -3.011 8.147 1.00 0.08 C ATOM 686 CZ PHE A 382 -1.724 -2.801 8.854 1.00 0.10 C ATOM 0 H PHE A 382 -6.425 -0.750 8.420 1.00 0.10 H new ATOM 0 HA PHE A 382 -4.656 1.186 9.815 1.00 0.10 H new ATOM 0 HB2 PHE A 382 -4.872 0.127 6.960 1.00 0.16 H new ATOM 0 HB3 PHE A 382 -3.676 1.280 7.519 1.00 0.16 H new ATOM 0 HD1 PHE A 382 -2.022 0.573 9.247 1.00 0.14 H new ATOM 0 HD2 PHE A 382 -4.520 -2.202 7.212 1.00 0.08 H new ATOM 0 HE1 PHE A 382 -0.502 -1.254 9.875 1.00 0.15 H new ATOM 0 HE2 PHE A 382 -3.012 -4.016 7.822 1.00 0.08 H new ATOM 0 HZ PHE A 382 -1.082 -3.628 9.121 1.00 0.10 H new ATOM 696 N TYR A 383 -5.611 3.213 8.528 1.00 0.08 N ATOM 697 CA TYR A 383 -6.361 4.356 7.991 1.00 0.09 C ATOM 698 C TYR A 383 -5.426 5.402 7.462 1.00 0.09 C ATOM 699 O TYR A 383 -4.418 5.706 8.095 1.00 0.11 O ATOM 700 CB TYR A 383 -7.269 5.045 9.018 1.00 0.12 C ATOM 701 CG TYR A 383 -8.587 4.354 9.378 1.00 0.25 C ATOM 702 CD1 TYR A 383 -8.628 3.079 9.930 1.00 0.53 C ATOM 703 CD2 TYR A 383 -9.802 5.014 9.200 1.00 0.39 C ATOM 704 CE1 TYR A 383 -9.823 2.484 10.282 1.00 0.64 C ATOM 705 CE2 TYR A 383 -10.998 4.430 9.566 1.00 0.51 C ATOM 706 CZ TYR A 383 -11.004 3.164 10.106 1.00 0.54 C ATOM 707 OH TYR A 383 -12.193 2.579 10.471 1.00 0.69 O ATOM 0 H TYR A 383 -4.718 3.457 8.957 1.00 0.08 H new ATOM 0 HA TYR A 383 -6.986 3.932 7.205 1.00 0.09 H new ATOM 0 HB2 TYR A 383 -6.697 5.176 9.937 1.00 0.12 H new ATOM 0 HB3 TYR A 383 -7.504 6.041 8.643 1.00 0.12 H new ATOM 0 HD1 TYR A 383 -7.704 2.542 10.087 1.00 0.53 H new ATOM 0 HD2 TYR A 383 -9.808 6.003 8.767 1.00 0.39 H new ATOM 0 HE1 TYR A 383 -9.830 1.486 10.695 1.00 0.64 H new ATOM 0 HE2 TYR A 383 -11.926 4.965 9.429 1.00 0.51 H new ATOM 0 HH TYR A 383 -12.932 3.194 10.281 1.00 0.69 H new ATOM 717 N VAL A 384 -5.776 5.992 6.334 1.00 0.09 N ATOM 718 CA VAL A 384 -4.944 7.024 5.776 1.00 0.10 C ATOM 719 C VAL A 384 -5.108 8.323 6.552 1.00 0.11 C ATOM 720 O VAL A 384 -6.221 8.819 6.754 1.00 0.13 O ATOM 721 CB VAL A 384 -5.190 7.242 4.259 1.00 0.11 C ATOM 722 CG1 VAL A 384 -6.600 6.881 3.870 1.00 0.12 C ATOM 723 CG2 VAL A 384 -4.902 8.672 3.861 1.00 0.14 C ATOM 0 H VAL A 384 -6.617 5.775 5.799 1.00 0.09 H new ATOM 0 HA VAL A 384 -3.912 6.686 5.873 1.00 0.10 H new ATOM 0 HB VAL A 384 -4.505 6.582 3.727 1.00 0.11 H new ATOM 0 HG11 VAL A 384 -6.736 7.046 2.801 1.00 0.12 H new ATOM 0 HG12 VAL A 384 -6.784 5.832 4.101 1.00 0.12 H new ATOM 0 HG13 VAL A 384 -7.301 7.504 4.426 1.00 0.12 H new ATOM 0 HG21 VAL A 384 -5.083 8.796 2.793 1.00 0.14 H new ATOM 0 HG22 VAL A 384 -5.554 9.344 4.420 1.00 0.14 H new ATOM 0 HG23 VAL A 384 -3.861 8.909 4.083 1.00 0.14 H new ATOM 733 N TRP A 385 -3.986 8.853 7.004 1.00 0.12 N ATOM 734 CA TRP A 385 -3.994 10.061 7.801 1.00 0.14 C ATOM 735 C TRP A 385 -3.398 11.232 7.060 1.00 0.16 C ATOM 736 O TRP A 385 -3.261 12.326 7.603 1.00 0.19 O ATOM 737 CB TRP A 385 -3.251 9.861 9.096 1.00 0.16 C ATOM 738 CG TRP A 385 -1.918 9.225 8.912 1.00 0.15 C ATOM 739 CD1 TRP A 385 -1.663 7.900 8.788 1.00 0.14 C ATOM 740 CD2 TRP A 385 -0.661 9.890 8.829 1.00 0.15 C ATOM 741 NE1 TRP A 385 -0.309 7.694 8.648 1.00 0.14 N ATOM 742 CE2 TRP A 385 0.326 8.905 8.676 1.00 0.15 C ATOM 743 CE3 TRP A 385 -0.280 11.225 8.878 1.00 0.17 C ATOM 744 CZ2 TRP A 385 1.678 9.220 8.572 1.00 0.15 C ATOM 745 CZ3 TRP A 385 1.050 11.539 8.773 1.00 0.18 C ATOM 746 CH2 TRP A 385 2.022 10.542 8.624 1.00 0.17 C ATOM 0 H TRP A 385 -3.059 8.464 6.832 1.00 0.12 H new ATOM 0 HA TRP A 385 -5.039 10.285 8.014 1.00 0.14 H new ATOM 0 HB2 TRP A 385 -3.122 10.826 9.587 1.00 0.16 H new ATOM 0 HB3 TRP A 385 -3.853 9.243 9.762 1.00 0.16 H new ATOM 0 HD1 TRP A 385 -2.411 7.121 8.798 1.00 0.14 H new ATOM 0 HE1 TRP A 385 0.146 6.787 8.541 1.00 0.14 H new ATOM 0 HE3 TRP A 385 -1.020 12.003 8.997 1.00 0.17 H new ATOM 0 HZ2 TRP A 385 2.426 8.450 8.455 1.00 0.15 H new ATOM 0 HZ3 TRP A 385 1.354 12.575 8.806 1.00 0.18 H new ATOM 0 HH2 TRP A 385 3.062 10.823 8.549 1.00 0.17 H new ATOM 757 N ASN A 386 -3.056 10.994 5.819 1.00 0.16 N ATOM 758 CA ASN A 386 -2.564 12.040 4.949 1.00 0.21 C ATOM 759 C ASN A 386 -2.605 11.590 3.501 1.00 0.20 C ATOM 760 O ASN A 386 -2.525 10.407 3.203 1.00 0.18 O ATOM 761 CB ASN A 386 -1.149 12.468 5.325 1.00 0.24 C ATOM 762 CG ASN A 386 -0.742 13.710 4.577 1.00 0.32 C ATOM 763 OD1 ASN A 386 -0.147 13.512 3.424 1.00 0.41 O flip ATOM 764 ND2 ASN A 386 -0.963 14.831 5.027 1.00 0.31 N flip ATOM 0 H ASN A 386 -3.109 10.074 5.381 1.00 0.16 H new ATOM 0 HA ASN A 386 -3.218 12.903 5.074 1.00 0.21 H new ATOM 0 HB2 ASN A 386 -1.094 12.652 6.398 1.00 0.24 H new ATOM 0 HB3 ASN A 386 -0.451 11.661 5.104 1.00 0.24 H new ATOM 0 HD21 ASN A 386 -1.429 14.936 5.928 1.00 0.31 H new ATOM 0 HD22 ASN A 386 -0.681 15.657 4.499 1.00 0.31 H new ATOM 771 N LYS A 387 -2.784 12.540 2.618 1.00 0.22 N ATOM 772 CA LYS A 387 -2.649 12.309 1.203 1.00 0.22 C ATOM 773 C LYS A 387 -1.419 12.999 0.684 1.00 0.19 C ATOM 774 O LYS A 387 -1.315 14.224 0.693 1.00 0.24 O ATOM 775 CB LYS A 387 -3.854 12.823 0.471 1.00 0.32 C ATOM 776 CG LYS A 387 -5.003 11.882 0.444 1.00 1.09 C ATOM 777 CD LYS A 387 -6.262 12.697 0.443 1.00 0.96 C ATOM 778 CE LYS A 387 -6.265 13.684 -0.694 1.00 0.57 C ATOM 779 NZ LYS A 387 -7.560 13.719 -1.422 1.00 0.67 N1+ ATOM 0 H LYS A 387 -3.029 13.500 2.862 1.00 0.22 H new ATOM 0 HA LYS A 387 -2.562 11.235 1.036 1.00 0.22 H new ATOM 0 HB2 LYS A 387 -4.175 13.756 0.934 1.00 0.32 H new ATOM 0 HB3 LYS A 387 -3.568 13.058 -0.554 1.00 0.32 H new ATOM 0 HG2 LYS A 387 -4.957 11.248 -0.442 1.00 1.09 H new ATOM 0 HG3 LYS A 387 -4.976 11.221 1.310 1.00 1.09 H new ATOM 0 HD2 LYS A 387 -7.126 12.038 0.359 1.00 0.96 H new ATOM 0 HD3 LYS A 387 -6.357 13.228 1.390 1.00 0.96 H new ATOM 0 HE2 LYS A 387 -6.044 14.679 -0.306 1.00 0.57 H new ATOM 0 HE3 LYS A 387 -5.468 13.430 -1.392 1.00 0.57 H new ATOM 0 HZ1 LYS A 387 -7.512 14.427 -2.183 1.00 0.67 H new ATOM 0 HZ2 LYS A 387 -7.753 12.783 -1.832 1.00 0.67 H new ATOM 0 HZ3 LYS A 387 -8.323 13.972 -0.762 1.00 0.67 H new ATOM 793 N GLU A 388 -0.491 12.203 0.264 1.00 0.18 N ATOM 794 CA GLU A 388 0.739 12.684 -0.269 1.00 0.18 C ATOM 795 C GLU A 388 0.847 12.373 -1.730 1.00 0.23 C ATOM 796 O GLU A 388 0.685 11.258 -2.171 1.00 0.38 O ATOM 797 CB GLU A 388 1.875 12.100 0.524 1.00 0.16 C ATOM 798 CG GLU A 388 2.576 13.158 1.323 1.00 0.16 C ATOM 799 CD GLU A 388 3.523 12.602 2.366 1.00 0.20 C ATOM 800 OE1 GLU A 388 3.060 12.295 3.482 1.00 0.32 O1- ATOM 801 OE2 GLU A 388 4.734 12.493 2.086 1.00 0.32 O ATOM 0 H GLU A 388 -0.568 11.186 0.282 1.00 0.18 H new ATOM 0 HA GLU A 388 0.781 13.770 -0.183 1.00 0.18 H new ATOM 0 HB2 GLU A 388 1.496 11.327 1.192 1.00 0.16 H new ATOM 0 HB3 GLU A 388 2.584 11.620 -0.150 1.00 0.16 H new ATOM 0 HG2 GLU A 388 3.134 13.804 0.645 1.00 0.16 H new ATOM 0 HG3 GLU A 388 1.831 13.782 1.817 1.00 0.16 H new ATOM 808 N GLU A 389 1.072 13.401 -2.472 1.00 0.17 N ATOM 809 CA GLU A 389 1.138 13.321 -3.893 1.00 0.19 C ATOM 810 C GLU A 389 2.449 13.848 -4.379 1.00 0.21 C ATOM 811 O GLU A 389 2.900 14.903 -3.929 1.00 0.26 O ATOM 812 CB GLU A 389 0.018 14.138 -4.456 1.00 0.21 C ATOM 813 CG GLU A 389 -1.338 13.581 -4.148 1.00 0.30 C ATOM 814 CD GLU A 389 -2.455 14.315 -4.862 1.00 1.06 C ATOM 815 OE1 GLU A 389 -2.716 14.004 -6.042 1.00 1.96 O1- ATOM 816 OE2 GLU A 389 -3.076 15.208 -4.252 1.00 1.18 O ATOM 0 H GLU A 389 1.218 14.340 -2.103 1.00 0.17 H new ATOM 0 HA GLU A 389 1.048 12.283 -4.214 1.00 0.19 H new ATOM 0 HB2 GLU A 389 0.084 15.152 -4.062 1.00 0.21 H new ATOM 0 HB3 GLU A 389 0.137 14.208 -5.537 1.00 0.21 H new ATOM 0 HG2 GLU A 389 -1.365 12.528 -4.429 1.00 0.30 H new ATOM 0 HG3 GLU A 389 -1.509 13.628 -3.072 1.00 0.30 H new ATOM 823 N ASP A 390 3.038 13.127 -5.286 1.00 0.20 N ATOM 824 CA ASP A 390 4.391 13.419 -5.732 1.00 0.19 C ATOM 825 C ASP A 390 5.275 13.505 -4.498 1.00 0.21 C ATOM 826 O ASP A 390 6.119 14.388 -4.328 1.00 0.40 O ATOM 827 CB ASP A 390 4.428 14.717 -6.513 1.00 0.24 C ATOM 828 CG ASP A 390 5.790 14.983 -7.125 1.00 0.26 C ATOM 829 OD1 ASP A 390 6.228 14.197 -7.994 1.00 0.38 O1- ATOM 830 OD2 ASP A 390 6.429 15.990 -6.739 1.00 0.36 O ATOM 0 H ASP A 390 2.608 12.323 -5.742 1.00 0.20 H new ATOM 0 HA ASP A 390 4.749 12.633 -6.397 1.00 0.19 H new ATOM 0 HB2 ASP A 390 3.678 14.684 -7.303 1.00 0.24 H new ATOM 0 HB3 ASP A 390 4.161 15.543 -5.854 1.00 0.24 H new ATOM 835 N ALA A 391 4.972 12.600 -3.601 1.00 0.15 N ATOM 836 CA ALA A 391 5.607 12.515 -2.324 1.00 0.16 C ATOM 837 C ALA A 391 6.800 11.611 -2.370 1.00 0.15 C ATOM 838 O ALA A 391 7.007 10.852 -3.313 1.00 0.16 O ATOM 839 CB ALA A 391 4.600 12.025 -1.303 1.00 0.16 C ATOM 0 H ALA A 391 4.258 11.887 -3.750 1.00 0.15 H new ATOM 0 HA ALA A 391 5.963 13.505 -2.038 1.00 0.16 H new ATOM 0 HB1 ALA A 391 5.077 11.957 -0.325 1.00 0.16 H new ATOM 0 HB2 ALA A 391 3.765 12.723 -1.252 1.00 0.16 H new ATOM 0 HB3 ALA A 391 4.233 11.041 -1.597 1.00 0.16 H new ATOM 845 N THR A 392 7.562 11.691 -1.324 1.00 0.16 N ATOM 846 CA THR A 392 8.782 10.953 -1.216 1.00 0.17 C ATOM 847 C THR A 392 8.800 10.192 0.079 1.00 0.16 C ATOM 848 O THR A 392 8.988 10.741 1.167 1.00 0.18 O ATOM 849 CB THR A 392 10.021 11.841 -1.315 1.00 0.20 C ATOM 850 OG1 THR A 392 10.131 12.394 -2.636 1.00 0.27 O ATOM 851 CG2 THR A 392 11.274 11.025 -0.968 1.00 0.22 C ATOM 0 H THR A 392 7.353 12.275 -0.514 1.00 0.16 H new ATOM 0 HA THR A 392 8.817 10.263 -2.059 1.00 0.17 H new ATOM 0 HB THR A 392 9.929 12.663 -0.605 1.00 0.20 H new ATOM 0 HG1 THR A 392 10.928 12.963 -2.687 1.00 0.27 H new ATOM 0 HG21 THR A 392 12.155 11.663 -1.040 1.00 0.22 H new ATOM 0 HG22 THR A 392 11.187 10.639 0.048 1.00 0.22 H new ATOM 0 HG23 THR A 392 11.371 10.193 -1.665 1.00 0.22 H new ATOM 859 N LEU A 393 8.537 8.938 -0.070 1.00 0.15 N ATOM 860 CA LEU A 393 8.574 7.990 0.986 1.00 0.16 C ATOM 861 C LEU A 393 9.977 7.677 1.351 1.00 0.17 C ATOM 862 O LEU A 393 10.887 7.889 0.567 1.00 0.18 O ATOM 863 CB LEU A 393 7.881 6.761 0.505 1.00 0.16 C ATOM 864 CG LEU A 393 6.376 6.843 0.510 1.00 0.19 C ATOM 865 CD1 LEU A 393 5.888 7.915 -0.439 1.00 0.16 C ATOM 866 CD2 LEU A 393 5.806 5.523 0.102 1.00 0.24 C ATOM 0 H LEU A 393 8.280 8.531 -0.969 1.00 0.15 H new ATOM 0 HA LEU A 393 8.082 8.388 1.873 1.00 0.16 H new ATOM 0 HB2 LEU A 393 8.216 6.545 -0.510 1.00 0.16 H new ATOM 0 HB3 LEU A 393 8.187 5.920 1.128 1.00 0.16 H new ATOM 0 HG LEU A 393 6.048 7.098 1.518 1.00 0.19 H new ATOM 0 HD11 LEU A 393 4.799 7.953 -0.416 1.00 0.16 H new ATOM 0 HD12 LEU A 393 6.291 8.881 -0.135 1.00 0.16 H new ATOM 0 HD13 LEU A 393 6.222 7.685 -1.451 1.00 0.16 H new ATOM 0 HD21 LEU A 393 4.718 5.580 0.105 1.00 0.24 H new ATOM 0 HD22 LEU A 393 6.153 5.271 -0.900 1.00 0.24 H new ATOM 0 HD23 LEU A 393 6.131 4.754 0.803 1.00 0.24 H new ATOM 878 N LYS A 394 10.139 7.211 2.549 1.00 0.20 N ATOM 879 CA LYS A 394 11.398 6.906 3.076 1.00 0.24 C ATOM 880 C LYS A 394 11.254 5.776 4.039 1.00 0.30 C ATOM 881 O LYS A 394 10.153 5.255 4.217 1.00 0.38 O ATOM 882 CB LYS A 394 11.966 8.111 3.742 1.00 0.29 C ATOM 883 CG LYS A 394 12.727 8.895 2.768 1.00 0.29 C ATOM 884 CD LYS A 394 12.301 10.312 2.714 1.00 0.61 C ATOM 885 CE LYS A 394 12.889 11.085 3.861 1.00 0.52 C ATOM 886 NZ LYS A 394 12.622 12.542 3.755 1.00 0.67 N1+ ATOM 0 H LYS A 394 9.367 7.033 3.192 1.00 0.20 H new ATOM 0 HA LYS A 394 12.081 6.607 2.281 1.00 0.24 H new ATOM 0 HB2 LYS A 394 11.165 8.717 4.166 1.00 0.29 H new ATOM 0 HB3 LYS A 394 12.611 7.813 4.568 1.00 0.29 H new ATOM 0 HG2 LYS A 394 13.787 8.848 3.019 1.00 0.29 H new ATOM 0 HG3 LYS A 394 12.613 8.448 1.780 1.00 0.29 H new ATOM 0 HD2 LYS A 394 12.616 10.756 1.770 1.00 0.61 H new ATOM 0 HD3 LYS A 394 11.213 10.372 2.748 1.00 0.61 H new ATOM 0 HE2 LYS A 394 12.477 10.710 4.798 1.00 0.52 H new ATOM 0 HE3 LYS A 394 13.965 10.917 3.896 1.00 0.52 H new ATOM 0 HZ1 LYS A 394 13.047 13.033 4.568 1.00 0.67 H new ATOM 0 HZ2 LYS A 394 13.037 12.908 2.874 1.00 0.67 H new ATOM 0 HZ3 LYS A 394 11.595 12.707 3.749 1.00 0.67 H new ATOM 1015 N GLU A 404 14.139 5.739 0.079 1.00 0.28 N ATOM 1016 CA GLU A 404 13.066 6.570 -0.438 1.00 0.24 C ATOM 1017 C GLU A 404 12.221 5.832 -1.446 1.00 0.24 C ATOM 1018 O GLU A 404 12.623 4.830 -2.033 1.00 0.31 O ATOM 1019 CB GLU A 404 13.576 7.829 -1.104 1.00 0.27 C ATOM 1020 CG GLU A 404 13.973 8.935 -0.170 1.00 0.29 C ATOM 1021 CD GLU A 404 15.045 9.834 -0.748 1.00 0.36 C ATOM 1022 OE1 GLU A 404 16.126 9.318 -1.104 1.00 0.62 O1- ATOM 1023 OE2 GLU A 404 14.818 11.057 -0.849 1.00 0.45 O ATOM 0 HA GLU A 404 12.468 6.836 0.434 1.00 0.24 H new ATOM 0 HB2 GLU A 404 14.437 7.571 -1.721 1.00 0.27 H new ATOM 0 HB3 GLU A 404 12.803 8.203 -1.776 1.00 0.27 H new ATOM 0 HG2 GLU A 404 13.095 9.533 0.071 1.00 0.29 H new ATOM 0 HG3 GLU A 404 14.332 8.504 0.765 1.00 0.29 H new ATOM 1030 N SER A 405 11.032 6.354 -1.598 1.00 0.20 N ATOM 1031 CA SER A 405 10.081 5.911 -2.554 1.00 0.20 C ATOM 1032 C SER A 405 9.477 7.146 -3.216 1.00 0.18 C ATOM 1033 O SER A 405 8.636 7.835 -2.629 1.00 0.23 O ATOM 1034 CB SER A 405 9.034 5.094 -1.806 1.00 0.26 C ATOM 1035 OG SER A 405 7.716 5.451 -2.161 1.00 1.33 O ATOM 0 H SER A 405 10.697 7.132 -1.029 1.00 0.20 H new ATOM 0 HA SER A 405 10.521 5.287 -3.332 1.00 0.20 H new ATOM 0 HB2 SER A 405 9.188 4.035 -2.013 1.00 0.26 H new ATOM 0 HB3 SER A 405 9.168 5.232 -0.733 1.00 0.26 H new ATOM 0 HG SER A 405 7.599 5.351 -3.129 1.00 1.33 H new ATOM 1041 N PRO A 406 9.975 7.503 -4.404 1.00 0.18 N ATOM 1042 CA PRO A 406 9.404 8.571 -5.191 1.00 0.19 C ATOM 1043 C PRO A 406 8.040 8.179 -5.693 1.00 0.17 C ATOM 1044 O PRO A 406 7.890 7.473 -6.692 1.00 0.17 O ATOM 1045 CB PRO A 406 10.379 8.710 -6.346 1.00 0.20 C ATOM 1046 CG PRO A 406 10.960 7.366 -6.465 1.00 0.19 C ATOM 1047 CD PRO A 406 11.125 6.910 -5.060 1.00 0.18 C ATOM 0 HA PRO A 406 9.270 9.497 -4.631 1.00 0.19 H new ATOM 0 HB2 PRO A 406 9.874 9.012 -7.264 1.00 0.20 H new ATOM 0 HB3 PRO A 406 11.142 9.461 -6.140 1.00 0.20 H new ATOM 0 HG2 PRO A 406 10.306 6.698 -7.025 1.00 0.19 H new ATOM 0 HG3 PRO A 406 11.915 7.391 -6.990 1.00 0.19 H new ATOM 0 HD2 PRO A 406 11.121 5.823 -4.982 1.00 0.18 H new ATOM 0 HD3 PRO A 406 12.063 7.257 -4.628 1.00 0.18 H new ATOM 1055 N VAL A 407 7.064 8.694 -5.029 1.00 0.17 N ATOM 1056 CA VAL A 407 5.722 8.357 -5.253 1.00 0.17 C ATOM 1057 C VAL A 407 4.971 9.556 -5.784 1.00 0.19 C ATOM 1058 O VAL A 407 5.403 10.701 -5.677 1.00 0.30 O ATOM 1059 CB VAL A 407 5.201 7.847 -3.907 1.00 0.16 C ATOM 1060 CG1 VAL A 407 3.972 8.583 -3.442 1.00 0.15 C ATOM 1061 CG2 VAL A 407 5.038 6.338 -3.934 1.00 0.23 C ATOM 0 H VAL A 407 7.195 9.385 -4.291 1.00 0.17 H new ATOM 0 HA VAL A 407 5.590 7.585 -6.011 1.00 0.17 H new ATOM 0 HB VAL A 407 5.952 8.069 -3.149 1.00 0.16 H new ATOM 0 HG11 VAL A 407 3.647 8.179 -2.483 1.00 0.15 H new ATOM 0 HG12 VAL A 407 4.203 9.642 -3.330 1.00 0.15 H new ATOM 0 HG13 VAL A 407 3.175 8.461 -4.176 1.00 0.15 H new ATOM 0 HG21 VAL A 407 4.667 5.995 -2.968 1.00 0.23 H new ATOM 0 HG22 VAL A 407 4.328 6.063 -4.714 1.00 0.23 H new ATOM 0 HG23 VAL A 407 6.002 5.872 -4.139 1.00 0.23 H new ATOM 1071 N ASN A 408 3.899 9.243 -6.435 1.00 0.19 N ATOM 1072 CA ASN A 408 3.033 10.184 -7.074 1.00 0.21 C ATOM 1073 C ASN A 408 1.780 10.247 -6.265 1.00 0.19 C ATOM 1074 O ASN A 408 1.141 11.284 -6.125 1.00 0.26 O ATOM 1075 CB ASN A 408 2.751 9.625 -8.443 1.00 0.34 C ATOM 1076 CG ASN A 408 4.025 9.375 -9.176 1.00 1.01 C ATOM 1077 OD1 ASN A 408 4.548 8.198 -8.953 1.00 1.84 O flip ATOM 1078 ND2 ASN A 408 4.537 10.218 -9.912 1.00 1.01 N flip ATOM 0 H ASN A 408 3.587 8.278 -6.542 1.00 0.19 H new ATOM 0 HA ASN A 408 3.459 11.184 -7.155 1.00 0.21 H new ATOM 0 HB2 ASN A 408 2.187 8.696 -8.354 1.00 0.34 H new ATOM 0 HB3 ASN A 408 2.131 10.322 -9.007 1.00 0.34 H new ATOM 0 HD21 ASN A 408 4.082 11.121 -10.048 1.00 1.01 H new ATOM 0 HD22 ASN A 408 5.417 10.014 -10.386 1.00 1.01 H new ATOM 1085 N TYR A 409 1.465 9.094 -5.722 1.00 0.15 N ATOM 1086 CA TYR A 409 0.321 8.943 -4.836 1.00 0.15 C ATOM 1087 C TYR A 409 0.684 8.138 -3.610 1.00 0.14 C ATOM 1088 O TYR A 409 1.028 6.959 -3.694 1.00 0.15 O ATOM 1089 CB TYR A 409 -0.853 8.305 -5.549 1.00 0.19 C ATOM 1090 CG TYR A 409 -1.339 9.123 -6.712 1.00 0.23 C ATOM 1091 CD1 TYR A 409 -1.871 10.381 -6.498 1.00 0.38 C ATOM 1092 CD2 TYR A 409 -1.251 8.654 -8.012 1.00 0.31 C ATOM 1093 CE1 TYR A 409 -2.309 11.156 -7.543 1.00 0.44 C ATOM 1094 CE2 TYR A 409 -1.684 9.424 -9.070 1.00 0.34 C ATOM 1095 CZ TYR A 409 -2.214 10.677 -8.832 1.00 0.35 C ATOM 1096 OH TYR A 409 -2.654 11.448 -9.882 1.00 0.41 O ATOM 0 H TYR A 409 1.989 8.233 -5.878 1.00 0.15 H new ATOM 0 HA TYR A 409 0.025 9.943 -4.520 1.00 0.15 H new ATOM 0 HB2 TYR A 409 -0.564 7.315 -5.902 1.00 0.19 H new ATOM 0 HB3 TYR A 409 -1.670 8.165 -4.841 1.00 0.19 H new ATOM 0 HD1 TYR A 409 -1.943 10.761 -5.490 1.00 0.38 H new ATOM 0 HD2 TYR A 409 -0.838 7.674 -8.199 1.00 0.31 H new ATOM 0 HE1 TYR A 409 -2.725 12.135 -7.356 1.00 0.44 H new ATOM 0 HE2 TYR A 409 -1.609 9.049 -10.080 1.00 0.34 H new ATOM 0 HH TYR A 409 -2.515 10.965 -10.723 1.00 0.41 H new ATOM 1106 N TRP A 410 0.596 8.803 -2.485 1.00 0.13 N ATOM 1107 CA TRP A 410 0.904 8.233 -1.191 1.00 0.11 C ATOM 1108 C TRP A 410 -0.275 8.368 -0.269 1.00 0.10 C ATOM 1109 O TRP A 410 -0.899 9.426 -0.174 1.00 0.12 O ATOM 1110 CB TRP A 410 2.097 8.957 -0.572 1.00 0.12 C ATOM 1111 CG TRP A 410 2.514 8.474 0.780 1.00 0.11 C ATOM 1112 CD1 TRP A 410 2.873 9.259 1.823 1.00 0.12 C ATOM 1113 CD2 TRP A 410 2.636 7.124 1.235 1.00 0.11 C ATOM 1114 NE1 TRP A 410 3.193 8.495 2.904 1.00 0.13 N ATOM 1115 CE2 TRP A 410 3.064 7.174 2.571 1.00 0.11 C ATOM 1116 CE3 TRP A 410 2.423 5.884 0.649 1.00 0.11 C ATOM 1117 CZ2 TRP A 410 3.285 6.023 3.326 1.00 0.12 C ATOM 1118 CZ3 TRP A 410 2.645 4.746 1.389 1.00 0.11 C ATOM 1119 CH2 TRP A 410 3.075 4.821 2.717 1.00 0.11 C ATOM 0 H TRP A 410 0.302 9.779 -2.439 1.00 0.13 H new ATOM 0 HA TRP A 410 1.142 7.178 -1.328 1.00 0.11 H new ATOM 0 HB2 TRP A 410 2.946 8.865 -1.249 1.00 0.12 H new ATOM 0 HB3 TRP A 410 1.859 10.018 -0.502 1.00 0.12 H new ATOM 0 HD1 TRP A 410 2.902 10.338 1.801 1.00 0.12 H new ATOM 0 HE1 TRP A 410 3.482 8.850 3.815 1.00 0.13 H new ATOM 0 HE3 TRP A 410 2.087 5.814 -0.375 1.00 0.11 H new ATOM 0 HZ2 TRP A 410 3.610 6.081 4.354 1.00 0.12 H new ATOM 0 HZ3 TRP A 410 2.484 3.779 0.937 1.00 0.11 H new ATOM 0 HH2 TRP A 410 3.244 3.910 3.271 1.00 0.11 H new ATOM 1130 N MET A 411 -0.573 7.299 0.405 1.00 0.09 N ATOM 1131 CA MET A 411 -1.589 7.323 1.409 1.00 0.10 C ATOM 1132 C MET A 411 -1.129 6.602 2.671 1.00 0.09 C ATOM 1133 O MET A 411 -1.370 5.407 2.833 1.00 0.10 O ATOM 1134 CB MET A 411 -2.830 6.689 0.846 1.00 0.12 C ATOM 1135 CG MET A 411 -3.919 7.693 0.544 1.00 0.14 C ATOM 1136 SD MET A 411 -4.835 7.248 -0.934 1.00 0.41 S ATOM 1137 CE MET A 411 -5.133 5.519 -0.597 1.00 0.13 C ATOM 0 H MET A 411 -0.122 6.393 0.275 1.00 0.09 H new ATOM 0 HA MET A 411 -1.801 8.354 1.691 1.00 0.10 H new ATOM 0 HB2 MET A 411 -2.575 6.152 -0.067 1.00 0.12 H new ATOM 0 HB3 MET A 411 -3.209 5.952 1.554 1.00 0.12 H new ATOM 0 HG2 MET A 411 -4.602 7.756 1.391 1.00 0.14 H new ATOM 0 HG3 MET A 411 -3.478 8.682 0.416 1.00 0.14 H new ATOM 0 HE1 MET A 411 -5.552 5.043 -1.483 1.00 0.13 H new ATOM 0 HE2 MET A 411 -4.194 5.033 -0.334 1.00 0.13 H new ATOM 0 HE3 MET A 411 -5.835 5.426 0.232 1.00 0.13 H new ATOM 1147 N PRO A 412 -0.438 7.317 3.573 1.00 0.09 N ATOM 1148 CA PRO A 412 0.085 6.737 4.816 1.00 0.09 C ATOM 1149 C PRO A 412 -1.012 6.440 5.812 1.00 0.09 C ATOM 1150 O PRO A 412 -1.974 7.192 5.959 1.00 0.09 O ATOM 1151 CB PRO A 412 0.981 7.851 5.354 1.00 0.10 C ATOM 1152 CG PRO A 412 0.332 9.088 4.864 1.00 0.16 C ATOM 1153 CD PRO A 412 -0.103 8.754 3.466 1.00 0.11 C ATOM 0 HA PRO A 412 0.592 5.787 4.648 1.00 0.09 H new ATOM 0 HB2 PRO A 412 1.035 7.831 6.442 1.00 0.10 H new ATOM 0 HB3 PRO A 412 2.001 7.759 4.982 1.00 0.10 H new ATOM 0 HG2 PRO A 412 -0.517 9.365 5.489 1.00 0.16 H new ATOM 0 HG3 PRO A 412 1.024 9.930 4.874 1.00 0.16 H new ATOM 0 HD2 PRO A 412 -0.961 9.349 3.154 1.00 0.11 H new ATOM 0 HD3 PRO A 412 0.690 8.933 2.740 1.00 0.11 H new ATOM 1161 N ILE A 413 -0.849 5.308 6.465 1.00 0.09 N ATOM 1162 CA ILE A 413 -1.849 4.757 7.354 1.00 0.10 C ATOM 1163 C ILE A 413 -1.282 4.524 8.740 1.00 0.14 C ATOM 1164 O ILE A 413 -2.018 4.289 9.694 1.00 0.17 O ATOM 1165 CB ILE A 413 -2.343 3.432 6.794 1.00 0.09 C ATOM 1166 CG1 ILE A 413 -1.209 2.395 6.814 1.00 0.10 C ATOM 1167 CG2 ILE A 413 -2.842 3.681 5.392 1.00 0.09 C ATOM 1168 CD1 ILE A 413 -1.481 1.167 5.982 1.00 0.11 C ATOM 0 H ILE A 413 -0.007 4.738 6.392 1.00 0.09 H new ATOM 0 HA ILE A 413 -2.669 5.471 7.429 1.00 0.10 H new ATOM 0 HB ILE A 413 -3.154 3.031 7.401 1.00 0.09 H new ATOM 0 HG12 ILE A 413 -0.294 2.867 6.457 1.00 0.10 H new ATOM 0 HG13 ILE A 413 -1.029 2.090 7.845 1.00 0.10 H new ATOM 0 HG21 ILE A 413 -3.204 2.746 4.963 1.00 0.09 H new ATOM 0 HG22 ILE A 413 -3.655 4.407 5.419 1.00 0.09 H new ATOM 0 HG23 ILE A 413 -2.028 4.070 4.780 1.00 0.09 H new ATOM 0 HD11 ILE A 413 -0.633 0.486 6.050 1.00 0.11 H new ATOM 0 HD12 ILE A 413 -2.377 0.668 6.351 1.00 0.11 H new ATOM 0 HD13 ILE A 413 -1.630 1.458 4.942 1.00 0.11 H new ATOM 1180 N ASP A 414 0.040 4.540 8.823 1.00 0.15 N ATOM 1181 CA ASP A 414 0.724 4.398 10.097 1.00 0.22 C ATOM 1182 C ASP A 414 1.833 5.438 10.196 1.00 0.21 C ATOM 1183 O ASP A 414 2.255 5.981 9.174 1.00 0.22 O ATOM 1184 CB ASP A 414 1.293 2.987 10.245 1.00 0.31 C ATOM 1185 CG ASP A 414 1.687 2.658 11.668 1.00 0.88 C ATOM 1186 OD1 ASP A 414 0.807 2.253 12.454 1.00 1.59 O ATOM 1187 OD2 ASP A 414 2.877 2.806 12.010 1.00 1.23 O1- ATOM 0 H ASP A 414 0.660 4.650 8.021 1.00 0.15 H new ATOM 0 HA ASP A 414 0.012 4.560 10.906 1.00 0.22 H new ATOM 0 HB2 ASP A 414 0.553 2.264 9.902 1.00 0.31 H new ATOM 0 HB3 ASP A 414 2.164 2.882 9.599 1.00 0.31 H new ATOM 1192 N TRP A 415 2.323 5.697 11.399 1.00 0.24 N ATOM 1193 CA TRP A 415 3.347 6.719 11.598 1.00 0.25 C ATOM 1194 C TRP A 415 4.757 6.142 11.560 1.00 0.27 C ATOM 1195 O TRP A 415 5.714 6.813 11.938 1.00 0.31 O ATOM 1196 CB TRP A 415 3.112 7.493 12.891 1.00 0.28 C ATOM 1197 CG TRP A 415 2.070 8.553 12.738 1.00 0.28 C ATOM 1198 CD1 TRP A 415 2.286 9.893 12.628 1.00 0.30 C ATOM 1199 CD2 TRP A 415 0.653 8.366 12.653 1.00 0.27 C ATOM 1200 NE1 TRP A 415 1.093 10.555 12.497 1.00 0.30 N ATOM 1201 CE2 TRP A 415 0.075 9.640 12.509 1.00 0.28 C ATOM 1202 CE3 TRP A 415 -0.185 7.249 12.688 1.00 0.27 C ATOM 1203 CZ2 TRP A 415 -1.298 9.824 12.402 1.00 0.28 C ATOM 1204 CZ3 TRP A 415 -1.551 7.442 12.581 1.00 0.27 C ATOM 1205 CH2 TRP A 415 -2.092 8.718 12.439 1.00 0.27 C ATOM 0 H TRP A 415 2.032 5.217 12.251 1.00 0.24 H new ATOM 0 HA TRP A 415 3.262 7.414 10.762 1.00 0.25 H new ATOM 0 HB2 TRP A 415 2.809 6.800 13.676 1.00 0.28 H new ATOM 0 HB3 TRP A 415 4.048 7.951 13.213 1.00 0.28 H new ATOM 0 HD1 TRP A 415 3.257 10.366 12.642 1.00 0.30 H new ATOM 0 HE1 TRP A 415 0.982 11.565 12.405 1.00 0.30 H new ATOM 0 HE3 TRP A 415 0.225 6.256 12.796 1.00 0.27 H new ATOM 0 HZ2 TRP A 415 -1.722 10.811 12.293 1.00 0.28 H new ATOM 0 HZ3 TRP A 415 -2.210 6.587 12.608 1.00 0.27 H new ATOM 0 HH2 TRP A 415 -3.163 8.832 12.357 1.00 0.27 H new ATOM 1216 N THR A 416 4.901 4.920 11.091 1.00 0.27 N ATOM 1217 CA THR A 416 6.223 4.353 10.901 1.00 0.32 C ATOM 1218 C THR A 416 6.625 4.600 9.472 1.00 0.30 C ATOM 1219 O THR A 416 7.801 4.758 9.132 1.00 0.35 O ATOM 1220 CB THR A 416 6.239 2.844 11.179 1.00 0.40 C ATOM 1221 OG1 THR A 416 5.058 2.240 10.632 1.00 0.41 O ATOM 1222 CG2 THR A 416 6.321 2.566 12.671 1.00 0.44 C ATOM 0 H THR A 416 4.129 4.304 10.836 1.00 0.27 H new ATOM 0 HA THR A 416 6.917 4.822 11.599 1.00 0.32 H new ATOM 0 HB THR A 416 7.121 2.414 10.704 1.00 0.40 H new ATOM 0 HG1 THR A 416 4.307 2.374 11.247 1.00 0.41 H new ATOM 0 HG21 THR A 416 6.331 1.489 12.840 1.00 0.44 H new ATOM 0 HG22 THR A 416 7.234 3.005 13.073 1.00 0.44 H new ATOM 0 HG23 THR A 416 5.457 3.004 13.171 1.00 0.44 H new ATOM 1230 N GLY A 417 5.598 4.696 8.656 1.00 0.24 N ATOM 1231 CA GLY A 417 5.768 4.984 7.269 1.00 0.24 C ATOM 1232 C GLY A 417 5.152 3.938 6.388 1.00 0.19 C ATOM 1233 O GLY A 417 5.674 3.623 5.321 1.00 0.20 O ATOM 0 H GLY A 417 4.627 4.575 8.945 1.00 0.24 H new ATOM 0 HA2 GLY A 417 5.322 5.953 7.045 1.00 0.24 H new ATOM 0 HA3 GLY A 417 6.832 5.063 7.045 1.00 0.24 H new ATOM 1237 N VAL A 418 4.044 3.380 6.844 1.00 0.15 N ATOM 1238 CA VAL A 418 3.309 2.435 6.040 1.00 0.11 C ATOM 1239 C VAL A 418 2.069 3.079 5.453 1.00 0.09 C ATOM 1240 O VAL A 418 1.505 4.012 6.029 1.00 0.09 O ATOM 1241 CB VAL A 418 2.932 1.163 6.830 1.00 0.14 C ATOM 1242 CG1 VAL A 418 2.040 0.244 6.013 1.00 0.14 C ATOM 1243 CG2 VAL A 418 4.192 0.433 7.215 1.00 0.17 C ATOM 0 H VAL A 418 3.640 3.567 7.762 1.00 0.15 H new ATOM 0 HA VAL A 418 3.968 2.129 5.227 1.00 0.11 H new ATOM 0 HB VAL A 418 2.378 1.461 7.720 1.00 0.14 H new ATOM 0 HG11 VAL A 418 1.794 -0.641 6.600 1.00 0.14 H new ATOM 0 HG12 VAL A 418 1.123 0.769 5.747 1.00 0.14 H new ATOM 0 HG13 VAL A 418 2.562 -0.057 5.105 1.00 0.14 H new ATOM 0 HG21 VAL A 418 3.935 -0.467 7.774 1.00 0.17 H new ATOM 0 HG22 VAL A 418 4.742 0.157 6.315 1.00 0.17 H new ATOM 0 HG23 VAL A 418 4.812 1.080 7.835 1.00 0.17 H new ATOM 1253 N GLY A 419 1.663 2.573 4.309 1.00 0.10 N ATOM 1254 CA GLY A 419 0.511 3.100 3.621 1.00 0.08 C ATOM 1255 C GLY A 419 0.371 2.513 2.240 1.00 0.08 C ATOM 1256 O GLY A 419 1.062 1.547 1.903 1.00 0.09 O ATOM 0 H GLY A 419 2.118 1.793 3.836 1.00 0.10 H new ATOM 0 HA2 GLY A 419 -0.388 2.887 4.200 1.00 0.08 H new ATOM 0 HA3 GLY A 419 0.594 4.184 3.549 1.00 0.08 H new ATOM 1260 N ILE A 420 -0.499 3.098 1.437 1.00 0.08 N ATOM 1261 CA ILE A 420 -0.675 2.668 0.078 1.00 0.09 C ATOM 1262 C ILE A 420 0.041 3.646 -0.847 1.00 0.07 C ATOM 1263 O ILE A 420 0.020 4.852 -0.604 1.00 0.08 O ATOM 1264 CB ILE A 420 -2.177 2.597 -0.269 1.00 0.10 C ATOM 1265 CG1 ILE A 420 -2.603 1.166 -0.548 1.00 0.11 C ATOM 1266 CG2 ILE A 420 -2.492 3.441 -1.464 1.00 0.12 C ATOM 1267 CD1 ILE A 420 -2.790 0.309 0.681 1.00 0.11 C ATOM 0 H ILE A 420 -1.095 3.878 1.714 1.00 0.08 H new ATOM 0 HA ILE A 420 -0.251 1.672 -0.050 1.00 0.09 H new ATOM 0 HB ILE A 420 -2.726 2.975 0.593 1.00 0.10 H new ATOM 0 HG12 ILE A 420 -3.538 1.183 -1.107 1.00 0.11 H new ATOM 0 HG13 ILE A 420 -1.856 0.698 -1.190 1.00 0.11 H new ATOM 0 HG21 ILE A 420 -3.557 3.373 -1.687 1.00 0.12 H new ATOM 0 HG22 ILE A 420 -2.230 4.478 -1.256 1.00 0.12 H new ATOM 0 HG23 ILE A 420 -1.919 3.087 -2.321 1.00 0.12 H new ATOM 0 HD11 ILE A 420 -3.094 -0.694 0.382 1.00 0.11 H new ATOM 0 HD12 ILE A 420 -1.852 0.255 1.233 1.00 0.11 H new ATOM 0 HD13 ILE A 420 -3.560 0.747 1.316 1.00 0.11 H new ATOM 1279 N HIS A 421 0.675 3.145 -1.892 1.00 0.07 N ATOM 1280 CA HIS A 421 1.348 4.026 -2.835 1.00 0.07 C ATOM 1281 C HIS A 421 1.378 3.442 -4.220 1.00 0.09 C ATOM 1282 O HIS A 421 1.195 2.248 -4.421 1.00 0.11 O ATOM 1283 CB HIS A 421 2.792 4.314 -2.444 1.00 0.09 C ATOM 1284 CG HIS A 421 3.678 3.119 -2.388 1.00 0.11 C ATOM 1285 ND1 HIS A 421 4.219 2.526 -3.504 1.00 0.12 N ATOM 1286 CD2 HIS A 421 4.177 2.463 -1.325 1.00 0.13 C ATOM 1287 CE1 HIS A 421 5.045 1.551 -3.086 1.00 0.15 C ATOM 1288 NE2 HIS A 421 5.051 1.471 -1.767 1.00 0.15 N ATOM 0 H HIS A 421 0.739 2.150 -2.109 1.00 0.07 H new ATOM 0 HA HIS A 421 0.768 4.949 -2.816 1.00 0.07 H new ATOM 0 HB2 HIS A 421 3.211 5.025 -3.156 1.00 0.09 H new ATOM 0 HB3 HIS A 421 2.799 4.799 -1.468 1.00 0.09 H new ATOM 0 HD2 HIS A 421 3.938 2.672 -0.293 1.00 0.13 H new ATOM 0 HE1 HIS A 421 5.626 0.918 -3.741 1.00 0.15 H new ATOM 0 HE2 HIS A 421 5.584 0.819 -1.192 1.00 0.15 H new ATOM 1296 N ASP A 422 1.660 4.315 -5.160 1.00 0.11 N ATOM 1297 CA ASP A 422 1.901 3.947 -6.513 1.00 0.14 C ATOM 1298 C ASP A 422 3.379 3.692 -6.652 1.00 0.19 C ATOM 1299 O ASP A 422 4.189 4.361 -6.018 1.00 0.29 O ATOM 1300 CB ASP A 422 1.464 5.090 -7.413 1.00 0.20 C ATOM 1301 CG ASP A 422 2.599 5.993 -7.844 1.00 0.31 C ATOM 1302 OD1 ASP A 422 2.970 6.904 -7.075 1.00 0.33 O1- ATOM 1303 OD2 ASP A 422 3.129 5.783 -8.955 1.00 0.42 O ATOM 0 H ASP A 422 1.727 5.318 -4.989 1.00 0.11 H new ATOM 0 HA ASP A 422 1.345 3.053 -6.796 1.00 0.14 H new ATOM 0 HB2 ASP A 422 0.982 4.679 -8.300 1.00 0.20 H new ATOM 0 HB3 ASP A 422 0.715 5.686 -6.891 1.00 0.20 H new ATOM 1308 N SER A 423 3.742 2.717 -7.429 1.00 0.15 N ATOM 1309 CA SER A 423 5.135 2.402 -7.566 1.00 0.19 C ATOM 1310 C SER A 423 5.471 2.142 -8.996 1.00 0.15 C ATOM 1311 O SER A 423 5.180 1.090 -9.572 1.00 0.16 O ATOM 1312 CB SER A 423 5.479 1.188 -6.730 1.00 0.26 C ATOM 1313 OG SER A 423 6.853 1.155 -6.434 1.00 1.48 O ATOM 0 H SER A 423 3.106 2.132 -7.971 1.00 0.15 H new ATOM 0 HA SER A 423 5.718 3.254 -7.216 1.00 0.19 H new ATOM 0 HB2 SER A 423 4.904 1.204 -5.804 1.00 0.26 H new ATOM 0 HB3 SER A 423 5.196 0.281 -7.265 1.00 0.26 H new ATOM 0 HG SER A 423 7.028 0.454 -5.772 1.00 1.48 H new ATOM 1319 N ASP A 424 6.092 3.146 -9.544 1.00 0.13 N ATOM 1320 CA ASP A 424 6.500 3.147 -10.921 1.00 0.13 C ATOM 1321 C ASP A 424 7.947 2.681 -11.067 1.00 0.12 C ATOM 1322 O ASP A 424 8.352 2.135 -12.093 1.00 0.15 O ATOM 1323 CB ASP A 424 6.260 4.539 -11.449 1.00 0.15 C ATOM 1324 CG ASP A 424 6.947 4.835 -12.767 1.00 0.25 C ATOM 1325 OD1 ASP A 424 6.371 4.513 -13.828 1.00 0.34 O ATOM 1326 OD2 ASP A 424 8.079 5.366 -12.749 1.00 0.35 O1- ATOM 0 H ASP A 424 6.333 4.000 -9.041 1.00 0.13 H new ATOM 0 HA ASP A 424 5.920 2.437 -11.511 1.00 0.13 H new ATOM 0 HB2 ASP A 424 5.187 4.688 -11.571 1.00 0.15 H new ATOM 0 HB3 ASP A 424 6.600 5.260 -10.706 1.00 0.15 H new ATOM 1331 N TRP A 425 8.721 2.938 -10.006 1.00 0.12 N ATOM 1332 CA TRP A 425 10.114 2.491 -9.900 1.00 0.14 C ATOM 1333 C TRP A 425 10.146 0.992 -9.722 1.00 0.15 C ATOM 1334 O TRP A 425 11.132 0.322 -10.018 1.00 0.18 O ATOM 1335 CB TRP A 425 10.786 3.149 -8.687 1.00 0.14 C ATOM 1336 CG TRP A 425 10.336 2.633 -7.363 1.00 0.12 C ATOM 1337 CD1 TRP A 425 10.771 1.532 -6.698 1.00 0.13 C ATOM 1338 CD2 TRP A 425 9.374 3.245 -6.537 1.00 0.12 C ATOM 1339 NE1 TRP A 425 10.117 1.421 -5.495 1.00 0.13 N ATOM 1340 CE2 TRP A 425 9.253 2.471 -5.375 1.00 0.12 C ATOM 1341 CE3 TRP A 425 8.602 4.378 -6.682 1.00 0.14 C ATOM 1342 CZ2 TRP A 425 8.378 2.811 -4.356 1.00 0.14 C ATOM 1343 CZ3 TRP A 425 7.745 4.722 -5.680 1.00 0.16 C ATOM 1344 CH2 TRP A 425 7.632 3.942 -4.524 1.00 0.15 C ATOM 0 H TRP A 425 8.397 3.464 -9.194 1.00 0.12 H new ATOM 0 HA TRP A 425 10.647 2.773 -10.808 1.00 0.14 H new ATOM 0 HB2 TRP A 425 11.864 3.010 -8.767 1.00 0.14 H new ATOM 0 HB3 TRP A 425 10.600 4.222 -8.725 1.00 0.14 H new ATOM 0 HD1 TRP A 425 11.521 0.845 -7.061 1.00 0.13 H new ATOM 0 HE1 TRP A 425 10.254 0.680 -4.808 1.00 0.13 H new ATOM 0 HE3 TRP A 425 8.675 4.982 -7.574 1.00 0.14 H new ATOM 0 HZ2 TRP A 425 8.290 2.206 -3.466 1.00 0.14 H new ATOM 0 HZ3 TRP A 425 7.142 5.613 -5.780 1.00 0.16 H new ATOM 0 HH2 TRP A 425 6.941 4.240 -3.749 1.00 0.15 H new ATOM 1355 N GLN A 426 9.059 0.507 -9.163 1.00 0.15 N ATOM 1356 CA GLN A 426 8.908 -0.894 -8.811 1.00 0.17 C ATOM 1357 C GLN A 426 7.737 -1.465 -9.536 1.00 0.18 C ATOM 1358 O GLN A 426 6.628 -1.574 -9.027 1.00 0.28 O ATOM 1359 CB GLN A 426 8.661 -0.987 -7.348 1.00 0.18 C ATOM 1360 CG GLN A 426 9.712 -1.744 -6.564 1.00 0.58 C ATOM 1361 CD GLN A 426 9.631 -3.248 -6.740 1.00 0.63 C ATOM 1362 OE1 GLN A 426 10.654 -3.920 -6.716 1.00 1.33 O ATOM 1363 NE2 GLN A 426 8.424 -3.802 -6.894 1.00 0.22 N ATOM 0 H GLN A 426 8.245 1.078 -8.936 1.00 0.15 H new ATOM 0 HA GLN A 426 9.808 -1.445 -9.082 1.00 0.17 H new ATOM 0 HB2 GLN A 426 8.586 0.022 -6.943 1.00 0.18 H new ATOM 0 HB3 GLN A 426 7.696 -1.467 -7.188 1.00 0.18 H new ATOM 0 HG2 GLN A 426 10.700 -1.403 -6.873 1.00 0.58 H new ATOM 0 HG3 GLN A 426 9.608 -1.504 -5.506 1.00 0.58 H new ATOM 0 HE21 GLN A 426 7.591 -3.214 -6.910 1.00 0.22 H new ATOM 0 HE22 GLN A 426 8.336 -4.813 -6.996 1.00 0.22 H new ATOM 1372 N PRO A 427 8.022 -1.815 -10.751 1.00 0.16 N ATOM 1373 CA PRO A 427 7.056 -2.043 -11.780 1.00 0.18 C ATOM 1374 C PRO A 427 6.415 -3.410 -11.726 1.00 0.16 C ATOM 1375 O PRO A 427 5.672 -3.784 -12.633 1.00 0.18 O ATOM 1376 CB PRO A 427 7.923 -1.907 -13.011 1.00 0.23 C ATOM 1377 CG PRO A 427 9.170 -2.538 -12.584 1.00 0.23 C ATOM 1378 CD PRO A 427 9.373 -1.991 -11.234 1.00 0.19 C ATOM 0 HA PRO A 427 6.204 -1.366 -11.719 1.00 0.18 H new ATOM 0 HB2 PRO A 427 7.487 -2.411 -13.874 1.00 0.23 H new ATOM 0 HB3 PRO A 427 8.070 -0.864 -13.292 1.00 0.23 H new ATOM 0 HG2 PRO A 427 9.088 -3.625 -12.571 1.00 0.23 H new ATOM 0 HG3 PRO A 427 9.997 -2.288 -13.249 1.00 0.23 H new ATOM 0 HD2 PRO A 427 9.942 -2.674 -10.603 1.00 0.19 H new ATOM 0 HD3 PRO A 427 9.920 -1.048 -11.258 1.00 0.19 H new ATOM 1386 N GLU A 428 6.715 -4.160 -10.677 1.00 0.14 N ATOM 1387 CA GLU A 428 6.154 -5.475 -10.522 1.00 0.14 C ATOM 1388 C GLU A 428 5.241 -5.536 -9.321 1.00 0.12 C ATOM 1389 O GLU A 428 5.407 -4.794 -8.357 1.00 0.15 O ATOM 1390 CB GLU A 428 7.237 -6.490 -10.332 1.00 0.17 C ATOM 1391 CG GLU A 428 6.848 -7.848 -10.829 1.00 0.22 C ATOM 1392 CD GLU A 428 7.005 -7.994 -12.326 1.00 0.64 C ATOM 1393 OE1 GLU A 428 8.144 -8.205 -12.789 1.00 0.98 O ATOM 1394 OE2 GLU A 428 5.989 -7.911 -13.044 1.00 1.10 O1- ATOM 0 H GLU A 428 7.343 -3.873 -9.927 1.00 0.14 H new ATOM 0 HA GLU A 428 5.588 -5.693 -11.428 1.00 0.14 H new ATOM 0 HB2 GLU A 428 8.135 -6.160 -10.854 1.00 0.17 H new ATOM 0 HB3 GLU A 428 7.489 -6.553 -9.273 1.00 0.17 H new ATOM 0 HG2 GLU A 428 7.458 -8.601 -10.330 1.00 0.22 H new ATOM 0 HG3 GLU A 428 5.811 -8.046 -10.556 1.00 0.22 H new ATOM 1401 N TYR A 429 4.316 -6.472 -9.405 1.00 0.11 N ATOM 1402 CA TYR A 429 3.181 -6.614 -8.496 1.00 0.10 C ATOM 1403 C TYR A 429 2.603 -7.992 -8.682 1.00 0.10 C ATOM 1404 O TYR A 429 2.353 -8.413 -9.812 1.00 0.14 O ATOM 1405 CB TYR A 429 2.069 -5.651 -8.848 1.00 0.13 C ATOM 1406 CG TYR A 429 2.501 -4.353 -9.482 1.00 0.16 C ATOM 1407 CD1 TYR A 429 2.821 -3.254 -8.706 1.00 0.19 C ATOM 1408 CD2 TYR A 429 2.567 -4.228 -10.859 1.00 0.23 C ATOM 1409 CE1 TYR A 429 3.194 -2.062 -9.282 1.00 0.25 C ATOM 1410 CE2 TYR A 429 2.944 -3.038 -11.447 1.00 0.29 C ATOM 1411 CZ TYR A 429 3.337 -1.977 -10.639 1.00 0.30 C ATOM 1412 OH TYR A 429 3.621 -0.767 -11.238 1.00 0.38 O ATOM 0 H TYR A 429 4.329 -7.185 -10.134 1.00 0.11 H new ATOM 0 HA TYR A 429 3.535 -6.426 -7.482 1.00 0.10 H new ATOM 0 HB2 TYR A 429 1.380 -6.154 -9.527 1.00 0.13 H new ATOM 0 HB3 TYR A 429 1.511 -5.422 -7.940 1.00 0.13 H new ATOM 0 HD1 TYR A 429 2.777 -3.333 -7.630 1.00 0.19 H new ATOM 0 HD2 TYR A 429 2.320 -5.075 -11.482 1.00 0.23 H new ATOM 0 HE1 TYR A 429 3.374 -1.195 -8.664 1.00 0.25 H new ATOM 0 HE2 TYR A 429 2.934 -2.932 -12.522 1.00 0.29 H new ATOM 0 HH TYR A 429 4.231 -0.255 -10.668 1.00 0.38 H new ATOM 1422 N GLY A 430 2.442 -8.719 -7.616 1.00 0.10 N ATOM 1423 CA GLY A 430 1.871 -10.028 -7.741 1.00 0.12 C ATOM 1424 C GLY A 430 2.440 -10.964 -6.722 1.00 0.13 C ATOM 1425 O GLY A 430 3.149 -10.511 -5.831 1.00 0.13 O ATOM 0 H GLY A 430 2.692 -8.436 -6.668 1.00 0.10 H new ATOM 0 HA2 GLY A 430 0.789 -9.969 -7.621 1.00 0.12 H new ATOM 0 HA3 GLY A 430 2.060 -10.416 -8.742 1.00 0.12 H new ATOM 1429 N GLY A 431 2.183 -12.262 -6.910 1.00 0.16 N ATOM 1430 CA GLY A 431 2.767 -13.315 -6.083 1.00 0.20 C ATOM 1431 C GLY A 431 4.143 -12.965 -5.572 1.00 0.17 C ATOM 1432 O GLY A 431 4.904 -12.294 -6.272 1.00 0.16 O ATOM 0 H GLY A 431 1.563 -12.610 -7.642 1.00 0.16 H new ATOM 0 HA2 GLY A 431 2.110 -13.512 -5.236 1.00 0.20 H new ATOM 0 HA3 GLY A 431 2.824 -14.236 -6.663 1.00 0.20 H new ATOM 1436 N ASP A 432 4.530 -13.546 -4.446 1.00 0.18 N ATOM 1437 CA ASP A 432 5.394 -12.854 -3.503 1.00 0.18 C ATOM 1438 C ASP A 432 6.656 -12.386 -4.142 1.00 0.18 C ATOM 1439 O ASP A 432 7.630 -13.109 -4.346 1.00 0.19 O ATOM 1440 CB ASP A 432 5.762 -13.773 -2.349 1.00 0.22 C ATOM 1441 CG ASP A 432 4.583 -14.521 -1.765 1.00 0.25 C ATOM 1442 OD1 ASP A 432 4.220 -15.577 -2.315 1.00 0.29 O ATOM 1443 OD2 ASP A 432 4.001 -14.039 -0.768 1.00 0.33 O1- ATOM 0 H ASP A 432 4.261 -14.489 -4.165 1.00 0.18 H new ATOM 0 HA ASP A 432 4.836 -11.990 -3.144 1.00 0.18 H new ATOM 0 HB2 ASP A 432 6.504 -14.494 -2.693 1.00 0.22 H new ATOM 0 HB3 ASP A 432 6.232 -13.183 -1.562 1.00 0.22 H new ATOM 1448 N LEU A 433 6.585 -11.116 -4.418 1.00 0.16 N ATOM 1449 CA LEU A 433 7.646 -10.346 -4.946 1.00 0.15 C ATOM 1450 C LEU A 433 8.320 -9.645 -3.816 1.00 0.14 C ATOM 1451 O LEU A 433 9.506 -9.371 -3.881 1.00 0.15 O ATOM 1452 CB LEU A 433 7.033 -9.393 -5.925 1.00 0.14 C ATOM 1453 CG LEU A 433 6.632 -10.049 -7.229 1.00 0.15 C ATOM 1454 CD1 LEU A 433 5.748 -9.125 -8.022 1.00 0.13 C ATOM 1455 CD2 LEU A 433 7.866 -10.447 -8.014 1.00 0.18 C ATOM 0 H LEU A 433 5.735 -10.572 -4.269 1.00 0.16 H new ATOM 0 HA LEU A 433 8.401 -10.945 -5.455 1.00 0.15 H new ATOM 0 HB2 LEU A 433 6.154 -8.933 -5.472 1.00 0.14 H new ATOM 0 HB3 LEU A 433 7.741 -8.591 -6.133 1.00 0.14 H new ATOM 0 HG LEU A 433 6.064 -10.955 -7.017 1.00 0.15 H new ATOM 0 HD11 LEU A 433 5.465 -9.606 -8.958 1.00 0.13 H new ATOM 0 HD12 LEU A 433 4.851 -8.896 -7.446 1.00 0.13 H new ATOM 0 HD13 LEU A 433 6.286 -8.202 -8.237 1.00 0.13 H new ATOM 0 HD21 LEU A 433 7.566 -10.918 -8.950 1.00 0.18 H new ATOM 0 HD22 LEU A 433 8.462 -9.560 -8.229 1.00 0.18 H new ATOM 0 HD23 LEU A 433 8.459 -11.150 -7.428 1.00 0.18 H new ATOM 1467 N TRP A 434 7.550 -9.339 -2.790 1.00 0.14 N ATOM 1468 CA TRP A 434 8.053 -8.565 -1.674 1.00 0.14 C ATOM 1469 C TRP A 434 9.395 -9.082 -1.197 1.00 0.17 C ATOM 1470 O TRP A 434 10.313 -8.304 -0.939 1.00 0.22 O ATOM 1471 CB TRP A 434 7.029 -8.501 -0.533 1.00 0.15 C ATOM 1472 CG TRP A 434 6.451 -9.822 -0.081 1.00 0.16 C ATOM 1473 CD1 TRP A 434 5.598 -10.629 -0.774 1.00 0.17 C ATOM 1474 CD2 TRP A 434 6.631 -10.449 1.195 1.00 0.16 C ATOM 1475 NE1 TRP A 434 5.266 -11.727 -0.019 1.00 0.18 N ATOM 1476 CE2 TRP A 434 5.888 -11.637 1.192 1.00 0.18 C ATOM 1477 CE3 TRP A 434 7.358 -10.127 2.332 1.00 0.17 C ATOM 1478 CZ2 TRP A 434 5.856 -12.493 2.286 1.00 0.19 C ATOM 1479 CZ3 TRP A 434 7.325 -10.973 3.419 1.00 0.19 C ATOM 1480 CH2 TRP A 434 6.580 -12.145 3.389 1.00 0.19 C ATOM 0 H TRP A 434 6.572 -9.616 -2.707 1.00 0.14 H new ATOM 0 HA TRP A 434 8.211 -7.545 -2.026 1.00 0.14 H new ATOM 0 HB2 TRP A 434 7.501 -8.022 0.325 1.00 0.15 H new ATOM 0 HB3 TRP A 434 6.207 -7.856 -0.846 1.00 0.15 H new ATOM 0 HD1 TRP A 434 5.236 -10.433 -1.772 1.00 0.17 H new ATOM 0 HE1 TRP A 434 4.654 -12.487 -0.316 1.00 0.18 H new ATOM 0 HE3 TRP A 434 7.945 -9.221 2.365 1.00 0.17 H new ATOM 0 HZ2 TRP A 434 5.277 -13.404 2.264 1.00 0.19 H new ATOM 0 HZ3 TRP A 434 7.886 -10.721 4.307 1.00 0.19 H new ATOM 0 HH2 TRP A 434 6.574 -12.792 4.254 1.00 0.19 H new ATOM 1491 N LYS A 435 9.532 -10.399 -1.214 1.00 0.17 N ATOM 1492 CA LYS A 435 10.701 -11.064 -0.700 1.00 0.19 C ATOM 1493 C LYS A 435 11.957 -10.694 -1.439 1.00 0.20 C ATOM 1494 O LYS A 435 13.061 -10.815 -0.914 1.00 0.22 O ATOM 1495 CB LYS A 435 10.481 -12.530 -0.792 1.00 0.20 C ATOM 1496 CG LYS A 435 9.405 -12.936 0.134 1.00 0.22 C ATOM 1497 CD LYS A 435 9.255 -14.408 0.161 1.00 0.26 C ATOM 1498 CE LYS A 435 7.999 -14.735 0.881 1.00 0.35 C ATOM 1499 NZ LYS A 435 8.111 -15.942 1.742 1.00 0.64 N1+ ATOM 0 H LYS A 435 8.826 -11.033 -1.589 1.00 0.17 H new ATOM 0 HA LYS A 435 10.842 -10.747 0.333 1.00 0.19 H new ATOM 0 HB2 LYS A 435 10.216 -12.803 -1.813 1.00 0.20 H new ATOM 0 HB3 LYS A 435 11.402 -13.061 -0.549 1.00 0.20 H new ATOM 0 HG2 LYS A 435 9.627 -12.571 1.137 1.00 0.22 H new ATOM 0 HG3 LYS A 435 8.465 -12.477 -0.172 1.00 0.22 H new ATOM 0 HD2 LYS A 435 9.226 -14.805 -0.854 1.00 0.26 H new ATOM 0 HD3 LYS A 435 10.109 -14.868 0.659 1.00 0.26 H new ATOM 0 HE2 LYS A 435 7.709 -13.884 1.497 1.00 0.35 H new ATOM 0 HE3 LYS A 435 7.201 -14.889 0.154 1.00 0.35 H new ATOM 0 HZ1 LYS A 435 7.202 -16.116 2.216 1.00 0.64 H new ATOM 0 HZ2 LYS A 435 8.359 -16.765 1.156 1.00 0.64 H new ATOM 0 HZ3 LYS A 435 8.851 -15.791 2.457 1.00 0.64 H new ATOM 1513 N THR A 436 11.786 -10.249 -2.650 1.00 0.19 N ATOM 1514 CA THR A 436 12.907 -9.912 -3.478 1.00 0.21 C ATOM 1515 C THR A 436 12.914 -8.421 -3.778 1.00 0.19 C ATOM 1516 O THR A 436 13.964 -7.774 -3.810 1.00 0.23 O ATOM 1517 CB THR A 436 12.847 -10.705 -4.791 1.00 0.22 C ATOM 1518 OG1 THR A 436 11.725 -10.284 -5.579 1.00 0.21 O ATOM 1519 CG2 THR A 436 12.710 -12.181 -4.484 1.00 0.25 C ATOM 0 H THR A 436 10.875 -10.111 -3.088 1.00 0.19 H new ATOM 0 HA THR A 436 13.823 -10.169 -2.945 1.00 0.21 H new ATOM 0 HB THR A 436 13.764 -10.524 -5.351 1.00 0.22 H new ATOM 0 HG1 THR A 436 10.970 -10.078 -4.989 1.00 0.21 H new ATOM 0 HG21 THR A 436 12.667 -12.744 -5.416 1.00 0.25 H new ATOM 0 HG22 THR A 436 13.568 -12.512 -3.899 1.00 0.25 H new ATOM 0 HG23 THR A 436 11.796 -12.351 -3.915 1.00 0.25 H new ATOM 1527 N ARG A 437 11.715 -7.884 -3.958 1.00 0.16 N ATOM 1528 CA ARG A 437 11.539 -6.539 -4.481 1.00 0.15 C ATOM 1529 C ARG A 437 11.618 -5.475 -3.400 1.00 0.17 C ATOM 1530 O ARG A 437 11.787 -4.289 -3.685 1.00 0.20 O ATOM 1531 CB ARG A 437 10.212 -6.477 -5.184 1.00 0.14 C ATOM 1532 CG ARG A 437 10.060 -7.531 -6.233 1.00 0.15 C ATOM 1533 CD ARG A 437 9.312 -7.010 -7.438 1.00 0.17 C ATOM 1534 NE ARG A 437 10.110 -6.041 -8.188 1.00 0.23 N ATOM 1535 CZ ARG A 437 10.603 -6.245 -9.414 1.00 0.30 C ATOM 1536 NH1 ARG A 437 10.403 -7.403 -10.040 1.00 0.34 N1+ ATOM 1537 NH2 ARG A 437 11.312 -5.293 -10.007 1.00 0.36 N ATOM 0 H ARG A 437 10.842 -8.367 -3.746 1.00 0.16 H new ATOM 0 HA ARG A 437 12.354 -6.329 -5.174 1.00 0.15 H new ATOM 0 HB2 ARG A 437 9.413 -6.583 -4.451 1.00 0.14 H new ATOM 0 HB3 ARG A 437 10.095 -5.495 -5.643 1.00 0.14 H new ATOM 0 HG2 ARG A 437 11.044 -7.885 -6.540 1.00 0.15 H new ATOM 0 HG3 ARG A 437 9.529 -8.387 -5.816 1.00 0.15 H new ATOM 0 HD2 ARG A 437 9.043 -7.842 -8.088 1.00 0.17 H new ATOM 0 HD3 ARG A 437 8.381 -6.544 -7.116 1.00 0.17 H new ATOM 0 HE ARG A 437 10.305 -5.144 -7.743 1.00 0.23 H new ATOM 0 HH11 ARG A 437 9.870 -8.144 -9.584 1.00 0.34 H new ATOM 0 HH12 ARG A 437 10.783 -7.549 -10.975 1.00 0.34 H new ATOM 0 HH21 ARG A 437 11.480 -4.408 -9.528 1.00 0.36 H new ATOM 0 HH22 ARG A 437 11.689 -5.446 -10.942 1.00 0.36 H new ATOM 1551 N GLY A 438 11.502 -5.913 -2.168 1.00 0.16 N ATOM 1552 CA GLY A 438 11.995 -5.117 -1.058 1.00 0.17 C ATOM 1553 C GLY A 438 11.148 -3.916 -0.642 1.00 0.17 C ATOM 1554 O GLY A 438 11.706 -2.862 -0.339 1.00 0.21 O ATOM 0 H GLY A 438 11.077 -6.803 -1.906 1.00 0.16 H new ATOM 0 HA2 GLY A 438 12.105 -5.771 -0.193 1.00 0.17 H new ATOM 0 HA3 GLY A 438 12.992 -4.757 -1.314 1.00 0.17 H new ATOM 1558 N SER A 439 9.827 -4.054 -0.591 1.00 0.15 N ATOM 1559 CA SER A 439 8.979 -2.968 -0.092 1.00 0.16 C ATOM 1560 C SER A 439 8.884 -3.072 1.436 1.00 0.14 C ATOM 1561 O SER A 439 8.603 -4.128 1.960 1.00 0.20 O ATOM 1562 CB SER A 439 7.587 -3.089 -0.710 1.00 0.22 C ATOM 1563 OG SER A 439 7.670 -3.219 -2.119 1.00 0.47 O ATOM 0 H SER A 439 9.323 -4.891 -0.883 1.00 0.15 H new ATOM 0 HA SER A 439 9.407 -2.003 -0.364 1.00 0.16 H new ATOM 0 HB2 SER A 439 7.072 -3.953 -0.291 1.00 0.22 H new ATOM 0 HB3 SER A 439 6.994 -2.210 -0.456 1.00 0.22 H new ATOM 0 HG SER A 439 7.064 -2.576 -2.543 1.00 0.47 H new ATOM 1569 N HIS A 440 9.100 -1.978 2.149 1.00 0.14 N ATOM 1570 CA HIS A 440 9.289 -2.033 3.604 1.00 0.16 C ATOM 1571 C HIS A 440 8.017 -1.658 4.337 1.00 0.16 C ATOM 1572 O HIS A 440 7.924 -0.582 4.926 1.00 0.21 O ATOM 1573 CB HIS A 440 10.402 -1.086 4.053 1.00 0.22 C ATOM 1574 CG HIS A 440 11.737 -1.390 3.494 1.00 0.26 C ATOM 1575 ND1 HIS A 440 12.083 -1.091 2.205 1.00 0.33 N ATOM 1576 CD2 HIS A 440 12.836 -1.930 4.066 1.00 0.30 C ATOM 1577 CE1 HIS A 440 13.329 -1.426 2.006 1.00 0.41 C ATOM 1578 NE2 HIS A 440 13.814 -1.939 3.115 1.00 0.38 N ATOM 0 H HIS A 440 9.150 -1.040 1.752 1.00 0.14 H new ATOM 0 HA HIS A 440 9.562 -3.060 3.846 1.00 0.16 H new ATOM 0 HB2 HIS A 440 10.129 -0.069 3.773 1.00 0.22 H new ATOM 0 HB3 HIS A 440 10.465 -1.111 5.141 1.00 0.22 H new ATOM 0 HD2 HIS A 440 12.923 -2.286 5.082 1.00 0.30 H new ATOM 0 HE1 HIS A 440 13.873 -1.302 1.081 1.00 0.41 H new ATOM 0 HE2 HIS A 440 14.764 -2.286 3.243 1.00 0.38 H new ATOM 1587 N GLY A 441 7.037 -2.542 4.286 1.00 0.15 N ATOM 1588 CA GLY A 441 5.781 -2.292 4.946 1.00 0.16 C ATOM 1589 C GLY A 441 4.852 -1.540 4.037 1.00 0.15 C ATOM 1590 O GLY A 441 3.656 -1.461 4.274 1.00 0.18 O ATOM 0 H GLY A 441 7.092 -3.434 3.795 1.00 0.15 H new ATOM 0 HA2 GLY A 441 5.324 -3.236 5.242 1.00 0.16 H new ATOM 0 HA3 GLY A 441 5.950 -1.720 5.858 1.00 0.16 H new ATOM 1594 N CYS A 442 5.413 -1.006 2.976 1.00 0.14 N ATOM 1595 CA CYS A 442 4.647 -0.244 2.025 1.00 0.16 C ATOM 1596 C CYS A 442 4.068 -1.161 0.964 1.00 0.18 C ATOM 1597 O CYS A 442 4.657 -2.198 0.645 1.00 0.28 O ATOM 1598 CB CYS A 442 5.509 0.844 1.400 1.00 0.20 C ATOM 1599 SG CYS A 442 6.986 0.227 0.560 1.00 0.83 S ATOM 0 H CYS A 442 6.405 -1.088 2.752 1.00 0.14 H new ATOM 0 HA CYS A 442 3.819 0.240 2.544 1.00 0.16 H new ATOM 0 HB2 CYS A 442 4.906 1.405 0.686 1.00 0.20 H new ATOM 0 HB3 CYS A 442 5.813 1.543 2.179 1.00 0.20 H new ATOM 0 HG CYS A 442 7.651 1.226 0.060 1.00 0.83 H new ATOM 1605 N ILE A 443 2.911 -0.808 0.445 1.00 0.13 N ATOM 1606 CA ILE A 443 2.256 -1.616 -0.551 1.00 0.12 C ATOM 1607 C ILE A 443 2.492 -1.054 -1.939 1.00 0.12 C ATOM 1608 O ILE A 443 2.157 0.091 -2.240 1.00 0.15 O ATOM 1609 CB ILE A 443 0.751 -1.764 -0.248 1.00 0.11 C ATOM 1610 CG1 ILE A 443 0.547 -2.775 0.894 1.00 0.10 C ATOM 1611 CG2 ILE A 443 -0.006 -2.202 -1.501 1.00 0.10 C ATOM 1612 CD1 ILE A 443 1.314 -2.490 2.163 1.00 0.10 C ATOM 0 H ILE A 443 2.405 0.040 0.701 1.00 0.13 H new ATOM 0 HA ILE A 443 2.692 -2.614 -0.518 1.00 0.12 H new ATOM 0 HB ILE A 443 0.355 -0.798 0.065 1.00 0.11 H new ATOM 0 HG12 ILE A 443 -0.515 -2.815 1.134 1.00 0.10 H new ATOM 0 HG13 ILE A 443 0.830 -3.764 0.534 1.00 0.10 H new ATOM 0 HG21 ILE A 443 -1.066 -2.302 -1.269 1.00 0.10 H new ATOM 0 HG22 ILE A 443 0.126 -1.456 -2.285 1.00 0.10 H new ATOM 0 HG23 ILE A 443 0.382 -3.161 -1.844 1.00 0.10 H new ATOM 0 HD11 ILE A 443 1.097 -3.263 2.900 1.00 0.10 H new ATOM 0 HD12 ILE A 443 2.383 -2.482 1.948 1.00 0.10 H new ATOM 0 HD13 ILE A 443 1.016 -1.519 2.558 1.00 0.10 H new ATOM 1624 N ASN A 444 3.113 -1.872 -2.762 1.00 0.14 N ATOM 1625 CA ASN A 444 3.504 -1.478 -4.099 1.00 0.16 C ATOM 1626 C ASN A 444 2.322 -1.543 -5.069 1.00 0.11 C ATOM 1627 O ASN A 444 2.163 -2.534 -5.780 1.00 0.12 O ATOM 1628 CB ASN A 444 4.640 -2.390 -4.572 1.00 0.30 C ATOM 1629 CG ASN A 444 5.550 -1.765 -5.581 1.00 0.88 C ATOM 1630 OD1 ASN A 444 6.556 -1.158 -5.225 1.00 1.56 O ATOM 1631 ND2 ASN A 444 5.220 -1.937 -6.845 1.00 1.77 N ATOM 0 H ASN A 444 3.362 -2.832 -2.522 1.00 0.14 H new ATOM 0 HA ASN A 444 3.846 -0.443 -4.077 1.00 0.16 H new ATOM 0 HB2 ASN A 444 5.230 -2.695 -3.707 1.00 0.30 H new ATOM 0 HB3 ASN A 444 4.209 -3.296 -5.000 1.00 0.30 H new ATOM 0 HD21 ASN A 444 5.813 -1.557 -7.583 1.00 1.77 H new ATOM 0 HD22 ASN A 444 4.372 -2.450 -7.085 1.00 1.77 H new ATOM 1638 N THR A 445 1.500 -0.502 -5.098 1.00 0.11 N ATOM 1639 CA THR A 445 0.372 -0.437 -6.008 1.00 0.10 C ATOM 1640 C THR A 445 0.813 0.153 -7.333 1.00 0.11 C ATOM 1641 O THR A 445 1.656 1.042 -7.392 1.00 0.14 O ATOM 1642 CB THR A 445 -0.751 0.408 -5.373 1.00 0.11 C ATOM 1643 OG1 THR A 445 -1.027 -0.092 -4.061 1.00 0.18 O ATOM 1644 CG2 THR A 445 -2.011 0.375 -6.212 1.00 0.14 C ATOM 0 H THR A 445 1.598 0.314 -4.494 1.00 0.11 H new ATOM 0 HA THR A 445 -0.011 -1.441 -6.194 1.00 0.10 H new ATOM 0 HB THR A 445 -0.416 1.444 -5.318 1.00 0.11 H new ATOM 0 HG1 THR A 445 -1.983 0.007 -3.868 1.00 0.18 H new ATOM 0 HG21 THR A 445 -2.782 0.981 -5.735 1.00 0.14 H new ATOM 0 HG22 THR A 445 -1.798 0.774 -7.204 1.00 0.14 H new ATOM 0 HG23 THR A 445 -2.362 -0.653 -6.302 1.00 0.14 H new ATOM 1652 N PRO A 446 0.298 -0.400 -8.424 1.00 0.09 N ATOM 1653 CA PRO A 446 0.588 0.082 -9.762 1.00 0.08 C ATOM 1654 C PRO A 446 0.190 1.527 -9.934 1.00 0.09 C ATOM 1655 O PRO A 446 -0.890 1.923 -9.531 1.00 0.12 O ATOM 1656 CB PRO A 446 -0.259 -0.794 -10.653 1.00 0.09 C ATOM 1657 CG PRO A 446 -0.493 -2.020 -9.848 1.00 0.10 C ATOM 1658 CD PRO A 446 -0.598 -1.555 -8.444 1.00 0.09 C ATOM 0 HA PRO A 446 1.653 0.035 -9.988 1.00 0.08 H new ATOM 0 HB2 PRO A 446 -1.197 -0.305 -10.915 1.00 0.09 H new ATOM 0 HB3 PRO A 446 0.253 -1.024 -11.588 1.00 0.09 H new ATOM 0 HG2 PRO A 446 -1.404 -2.529 -10.163 1.00 0.10 H new ATOM 0 HG3 PRO A 446 0.325 -2.730 -9.967 1.00 0.10 H new ATOM 0 HD2 PRO A 446 -1.620 -1.280 -8.183 1.00 0.09 H new ATOM 0 HD3 PRO A 446 -0.285 -2.324 -7.738 1.00 0.09 H new ATOM 1666 N PRO A 447 1.053 2.311 -10.564 1.00 0.09 N ATOM 1667 CA PRO A 447 0.892 3.763 -10.725 1.00 0.09 C ATOM 1668 C PRO A 447 -0.415 4.142 -11.365 1.00 0.09 C ATOM 1669 O PRO A 447 -1.018 5.164 -11.041 1.00 0.16 O ATOM 1670 CB PRO A 447 2.053 4.090 -11.645 1.00 0.10 C ATOM 1671 CG PRO A 447 3.070 3.132 -11.184 1.00 0.10 C ATOM 1672 CD PRO A 447 2.294 1.861 -11.199 1.00 0.09 C ATOM 0 HA PRO A 447 0.886 4.298 -9.776 1.00 0.09 H new ATOM 0 HB2 PRO A 447 1.798 3.945 -12.695 1.00 0.10 H new ATOM 0 HB3 PRO A 447 2.384 5.123 -11.537 1.00 0.10 H new ATOM 0 HG2 PRO A 447 3.933 3.096 -11.849 1.00 0.10 H new ATOM 0 HG3 PRO A 447 3.444 3.375 -10.189 1.00 0.10 H new ATOM 0 HD2 PRO A 447 2.132 1.484 -12.209 1.00 0.09 H new ATOM 0 HD3 PRO A 447 2.785 1.067 -10.637 1.00 0.09 H new ATOM 1680 N SER A 448 -0.855 3.297 -12.259 1.00 0.08 N ATOM 1681 CA SER A 448 -2.060 3.561 -12.988 1.00 0.09 C ATOM 1682 C SER A 448 -3.257 3.218 -12.124 1.00 0.09 C ATOM 1683 O SER A 448 -4.259 3.925 -12.120 1.00 0.11 O ATOM 1684 CB SER A 448 -2.110 2.744 -14.264 1.00 0.11 C ATOM 1685 OG SER A 448 -2.979 3.328 -15.220 1.00 1.17 O ATOM 0 H SER A 448 -0.394 2.419 -12.498 1.00 0.08 H new ATOM 0 HA SER A 448 -2.080 4.618 -13.252 1.00 0.09 H new ATOM 0 HB2 SER A 448 -1.108 2.661 -14.684 1.00 0.11 H new ATOM 0 HB3 SER A 448 -2.445 1.732 -14.037 1.00 0.11 H new ATOM 0 HG SER A 448 -2.988 2.779 -16.032 1.00 1.17 H new ATOM 1691 N VAL A 449 -3.128 2.140 -11.368 1.00 0.08 N ATOM 1692 CA VAL A 449 -4.216 1.669 -10.535 1.00 0.09 C ATOM 1693 C VAL A 449 -4.271 2.431 -9.212 1.00 0.10 C ATOM 1694 O VAL A 449 -5.332 2.611 -8.617 1.00 0.11 O ATOM 1695 CB VAL A 449 -4.073 0.172 -10.273 1.00 0.11 C ATOM 1696 CG1 VAL A 449 -5.257 -0.331 -9.467 1.00 0.17 C ATOM 1697 CG2 VAL A 449 -3.943 -0.584 -11.585 1.00 0.10 C ATOM 0 H VAL A 449 -2.280 1.576 -11.316 1.00 0.08 H new ATOM 0 HA VAL A 449 -5.149 1.850 -11.069 1.00 0.09 H new ATOM 0 HB VAL A 449 -3.167 -0.003 -9.693 1.00 0.11 H new ATOM 0 HG11 VAL A 449 -5.146 -1.400 -9.285 1.00 0.17 H new ATOM 0 HG12 VAL A 449 -5.299 0.197 -8.514 1.00 0.17 H new ATOM 0 HG13 VAL A 449 -6.178 -0.151 -10.022 1.00 0.17 H new ATOM 0 HG21 VAL A 449 -3.842 -1.650 -11.382 1.00 0.10 H new ATOM 0 HG22 VAL A 449 -4.831 -0.413 -12.193 1.00 0.10 H new ATOM 0 HG23 VAL A 449 -3.062 -0.232 -12.122 1.00 0.10 H new ATOM 1707 N MET A 450 -3.126 2.905 -8.767 1.00 0.10 N ATOM 1708 CA MET A 450 -3.031 3.689 -7.566 1.00 0.11 C ATOM 1709 C MET A 450 -3.715 5.032 -7.766 1.00 0.10 C ATOM 1710 O MET A 450 -4.053 5.724 -6.830 1.00 0.14 O ATOM 1711 CB MET A 450 -1.561 3.847 -7.268 1.00 0.13 C ATOM 1712 CG MET A 450 -1.296 4.542 -5.984 1.00 0.13 C ATOM 1713 SD MET A 450 -2.390 4.007 -4.680 1.00 0.46 S ATOM 1714 CE MET A 450 -2.426 5.519 -3.749 1.00 0.10 C ATOM 0 H MET A 450 -2.233 2.753 -9.236 1.00 0.10 H new ATOM 0 HA MET A 450 -3.531 3.206 -6.727 1.00 0.11 H new ATOM 0 HB2 MET A 450 -1.094 2.862 -7.244 1.00 0.13 H new ATOM 0 HB3 MET A 450 -1.090 4.403 -8.079 1.00 0.13 H new ATOM 0 HG2 MET A 450 -0.263 4.363 -5.684 1.00 0.13 H new ATOM 0 HG3 MET A 450 -1.405 5.617 -6.127 1.00 0.13 H new ATOM 0 HE1 MET A 450 -3.386 5.611 -3.242 1.00 0.10 H new ATOM 0 HE2 MET A 450 -1.625 5.511 -3.010 1.00 0.10 H new ATOM 0 HE3 MET A 450 -2.289 6.365 -4.423 1.00 0.10 H new ATOM 1724 N LYS A 451 -3.894 5.370 -9.026 1.00 0.11 N ATOM 1725 CA LYS A 451 -4.576 6.570 -9.460 1.00 0.11 C ATOM 1726 C LYS A 451 -6.068 6.389 -9.413 1.00 0.10 C ATOM 1727 O LYS A 451 -6.843 7.342 -9.366 1.00 0.14 O ATOM 1728 CB LYS A 451 -4.141 6.782 -10.876 1.00 0.14 C ATOM 1729 CG LYS A 451 -4.310 8.181 -11.352 1.00 0.22 C ATOM 1730 CD LYS A 451 -3.256 8.559 -12.349 1.00 0.68 C ATOM 1731 CE LYS A 451 -2.935 7.393 -13.220 1.00 0.63 C ATOM 1732 NZ LYS A 451 -2.605 7.787 -14.613 1.00 0.81 N1+ ATOM 0 H LYS A 451 -3.558 4.798 -9.801 1.00 0.11 H new ATOM 0 HA LYS A 451 -4.335 7.416 -8.816 1.00 0.11 H new ATOM 0 HB2 LYS A 451 -3.092 6.500 -10.970 1.00 0.14 H new ATOM 0 HB3 LYS A 451 -4.710 6.116 -11.525 1.00 0.14 H new ATOM 0 HG2 LYS A 451 -5.296 8.295 -11.803 1.00 0.22 H new ATOM 0 HG3 LYS A 451 -4.268 8.862 -10.502 1.00 0.22 H new ATOM 0 HD2 LYS A 451 -3.603 9.394 -12.958 1.00 0.68 H new ATOM 0 HD3 LYS A 451 -2.358 8.894 -11.831 1.00 0.68 H new ATOM 0 HE2 LYS A 451 -2.094 6.847 -12.793 1.00 0.63 H new ATOM 0 HE3 LYS A 451 -3.784 6.710 -13.232 1.00 0.63 H new ATOM 0 HZ1 LYS A 451 -2.391 6.937 -15.173 1.00 0.81 H new ATOM 0 HZ2 LYS A 451 -3.416 8.284 -15.035 1.00 0.81 H new ATOM 0 HZ3 LYS A 451 -1.777 8.417 -14.609 1.00 0.81 H new ATOM 1746 N GLU A 452 -6.432 5.134 -9.476 1.00 0.09 N ATOM 1747 CA GLU A 452 -7.794 4.699 -9.401 1.00 0.08 C ATOM 1748 C GLU A 452 -8.171 4.690 -7.977 1.00 0.07 C ATOM 1749 O GLU A 452 -9.225 5.149 -7.575 1.00 0.08 O ATOM 1750 CB GLU A 452 -7.877 3.292 -9.938 1.00 0.08 C ATOM 1751 CG GLU A 452 -7.282 3.130 -11.301 1.00 0.09 C ATOM 1752 CD GLU A 452 -8.241 3.479 -12.416 1.00 0.13 C ATOM 1753 OE1 GLU A 452 -8.384 4.677 -12.734 1.00 0.31 O1- ATOM 1754 OE2 GLU A 452 -8.861 2.556 -12.981 1.00 0.38 O ATOM 0 H GLU A 452 -5.767 4.369 -9.584 1.00 0.09 H new ATOM 0 HA GLU A 452 -8.452 5.352 -9.975 1.00 0.08 H new ATOM 0 HB2 GLU A 452 -7.369 2.619 -9.248 1.00 0.08 H new ATOM 0 HB3 GLU A 452 -8.923 2.986 -9.970 1.00 0.08 H new ATOM 0 HG2 GLU A 452 -6.397 3.761 -11.381 1.00 0.09 H new ATOM 0 HG3 GLU A 452 -6.951 2.099 -11.425 1.00 0.09 H new ATOM 1761 N LEU A 453 -7.267 4.109 -7.241 1.00 0.06 N ATOM 1762 CA LEU A 453 -7.336 4.045 -5.841 1.00 0.05 C ATOM 1763 C LEU A 453 -7.247 5.395 -5.206 1.00 0.05 C ATOM 1764 O LEU A 453 -8.180 5.840 -4.594 1.00 0.05 O ATOM 1765 CB LEU A 453 -6.187 3.272 -5.314 1.00 0.05 C ATOM 1766 CG LEU A 453 -6.312 2.933 -3.872 1.00 0.05 C ATOM 1767 CD1 LEU A 453 -7.481 2.009 -3.683 1.00 0.06 C ATOM 1768 CD2 LEU A 453 -5.030 2.329 -3.371 1.00 0.06 C ATOM 0 H LEU A 453 -6.440 3.656 -7.630 1.00 0.06 H new ATOM 0 HA LEU A 453 -8.294 3.582 -5.606 1.00 0.05 H new ATOM 0 HB2 LEU A 453 -6.085 2.351 -5.888 1.00 0.05 H new ATOM 0 HB3 LEU A 453 -5.273 3.846 -5.466 1.00 0.05 H new ATOM 0 HG LEU A 453 -6.493 3.835 -3.288 1.00 0.05 H new ATOM 0 HD11 LEU A 453 -7.578 1.756 -2.627 1.00 0.06 H new ATOM 0 HD12 LEU A 453 -8.392 2.501 -4.024 1.00 0.06 H new ATOM 0 HD13 LEU A 453 -7.322 1.098 -4.261 1.00 0.06 H new ATOM 0 HD21 LEU A 453 -5.132 2.084 -2.314 1.00 0.06 H new ATOM 0 HD22 LEU A 453 -4.811 1.422 -3.934 1.00 0.06 H new ATOM 0 HD23 LEU A 453 -4.216 3.042 -3.501 1.00 0.06 H new ATOM 1780 N PHE A 454 -6.098 6.039 -5.312 1.00 0.07 N ATOM 1781 CA PHE A 454 -5.947 7.374 -4.769 1.00 0.08 C ATOM 1782 C PHE A 454 -7.103 8.226 -5.273 1.00 0.09 C ATOM 1783 O PHE A 454 -7.534 9.204 -4.664 1.00 0.10 O ATOM 1784 CB PHE A 454 -4.628 8.007 -5.200 1.00 0.13 C ATOM 1785 CG PHE A 454 -4.218 9.166 -4.340 1.00 0.17 C ATOM 1786 CD1 PHE A 454 -3.455 8.960 -3.204 1.00 0.19 C ATOM 1787 CD2 PHE A 454 -4.594 10.459 -4.662 1.00 0.25 C ATOM 1788 CE1 PHE A 454 -3.073 10.015 -2.407 1.00 0.25 C ATOM 1789 CE2 PHE A 454 -4.212 11.520 -3.870 1.00 0.31 C ATOM 1790 CZ PHE A 454 -3.452 11.298 -2.741 1.00 0.29 C ATOM 0 H PHE A 454 -5.265 5.663 -5.764 1.00 0.07 H new ATOM 0 HA PHE A 454 -5.948 7.315 -3.681 1.00 0.08 H new ATOM 0 HB2 PHE A 454 -3.844 7.250 -5.175 1.00 0.13 H new ATOM 0 HB3 PHE A 454 -4.714 8.343 -6.233 1.00 0.13 H new ATOM 0 HD1 PHE A 454 -3.155 7.957 -2.939 1.00 0.19 H new ATOM 0 HD2 PHE A 454 -5.193 10.638 -5.543 1.00 0.25 H new ATOM 0 HE1 PHE A 454 -2.478 9.839 -1.523 1.00 0.25 H new ATOM 0 HE2 PHE A 454 -4.508 12.525 -4.133 1.00 0.31 H new ATOM 0 HZ PHE A 454 -3.154 12.129 -2.119 1.00 0.29 H new ATOM 1800 N GLY A 455 -7.586 7.783 -6.434 1.00 0.09 N ATOM 1801 CA GLY A 455 -8.686 8.401 -7.103 1.00 0.11 C ATOM 1802 C GLY A 455 -10.006 8.176 -6.372 1.00 0.10 C ATOM 1803 O GLY A 455 -10.886 9.029 -6.418 1.00 0.13 O ATOM 0 H GLY A 455 -7.207 6.974 -6.926 1.00 0.09 H new ATOM 0 HA2 GLY A 455 -8.500 9.471 -7.192 1.00 0.11 H new ATOM 0 HA3 GLY A 455 -8.762 8.005 -8.116 1.00 0.11 H new ATOM 1807 N MET A 456 -10.148 7.012 -5.715 1.00 0.08 N ATOM 1808 CA MET A 456 -11.295 6.742 -4.845 1.00 0.09 C ATOM 1809 C MET A 456 -11.046 7.229 -3.428 1.00 0.10 C ATOM 1810 O MET A 456 -11.862 7.933 -2.832 1.00 0.13 O ATOM 1811 CB MET A 456 -11.591 5.238 -4.771 1.00 0.08 C ATOM 1812 CG MET A 456 -10.426 4.343 -5.038 1.00 0.06 C ATOM 1813 SD MET A 456 -10.892 2.685 -5.519 1.00 0.06 S ATOM 1814 CE MET A 456 -11.580 3.010 -7.118 1.00 0.07 C ATOM 0 H MET A 456 -9.479 6.245 -5.773 1.00 0.08 H new ATOM 0 HA MET A 456 -12.141 7.275 -5.279 1.00 0.09 H new ATOM 0 HB2 MET A 456 -11.983 5.010 -3.780 1.00 0.08 H new ATOM 0 HB3 MET A 456 -12.379 5.004 -5.487 1.00 0.08 H new ATOM 0 HG2 MET A 456 -9.814 4.782 -5.826 1.00 0.06 H new ATOM 0 HG3 MET A 456 -9.805 4.292 -4.143 1.00 0.06 H new ATOM 0 HE1 MET A 456 -11.890 2.072 -7.578 1.00 0.07 H new ATOM 0 HE2 MET A 456 -12.444 3.667 -7.016 1.00 0.07 H new ATOM 0 HE3 MET A 456 -10.830 3.491 -7.746 1.00 0.07 H new ATOM 1824 N VAL A 457 -9.897 6.847 -2.915 1.00 0.08 N ATOM 1825 CA VAL A 457 -9.589 6.970 -1.511 1.00 0.10 C ATOM 1826 C VAL A 457 -8.700 8.126 -1.187 1.00 0.17 C ATOM 1827 O VAL A 457 -7.707 8.422 -1.844 1.00 0.23 O ATOM 1828 CB VAL A 457 -8.992 5.669 -0.957 1.00 0.06 C ATOM 1829 CG1 VAL A 457 -8.074 5.031 -1.971 1.00 0.06 C ATOM 1830 CG2 VAL A 457 -8.275 5.893 0.367 1.00 0.10 C ATOM 0 H VAL A 457 -9.144 6.438 -3.468 1.00 0.08 H new ATOM 0 HA VAL A 457 -10.543 7.167 -1.022 1.00 0.10 H new ATOM 0 HB VAL A 457 -9.818 4.985 -0.762 1.00 0.06 H new ATOM 0 HG11 VAL A 457 -7.661 4.110 -1.559 1.00 0.06 H new ATOM 0 HG12 VAL A 457 -8.635 4.804 -2.877 1.00 0.06 H new ATOM 0 HG13 VAL A 457 -7.262 5.718 -2.210 1.00 0.06 H new ATOM 0 HG21 VAL A 457 -7.867 4.947 0.724 1.00 0.10 H new ATOM 0 HG22 VAL A 457 -7.464 6.607 0.225 1.00 0.10 H new ATOM 0 HG23 VAL A 457 -8.980 6.285 1.101 1.00 0.10 H new ATOM 1840 N GLU A 458 -9.112 8.732 -0.119 1.00 0.18 N ATOM 1841 CA GLU A 458 -8.516 9.863 0.455 1.00 0.26 C ATOM 1842 C GLU A 458 -8.480 9.634 1.923 1.00 0.15 C ATOM 1843 O GLU A 458 -8.873 8.556 2.376 1.00 0.08 O ATOM 1844 CB GLU A 458 -9.332 11.084 0.124 1.00 0.42 C ATOM 1845 CG GLU A 458 -10.799 10.849 0.310 1.00 0.46 C ATOM 1846 CD GLU A 458 -11.639 12.053 -0.052 1.00 0.66 C ATOM 1847 OE1 GLU A 458 -12.020 12.183 -1.233 1.00 0.82 O1- ATOM 1848 OE2 GLU A 458 -11.926 12.870 0.848 1.00 0.83 O ATOM 0 H GLU A 458 -9.932 8.416 0.399 1.00 0.18 H new ATOM 0 HA GLU A 458 -7.508 10.023 0.072 1.00 0.26 H new ATOM 0 HB2 GLU A 458 -9.015 11.913 0.756 1.00 0.42 H new ATOM 0 HB3 GLU A 458 -9.141 11.379 -0.908 1.00 0.42 H new ATOM 0 HG2 GLU A 458 -11.106 10.001 -0.302 1.00 0.46 H new ATOM 0 HG3 GLU A 458 -10.990 10.578 1.349 1.00 0.46 H new ATOM 1855 N LYS A 459 -7.991 10.588 2.672 1.00 0.19 N ATOM 1856 CA LYS A 459 -8.029 10.457 4.076 1.00 0.13 C ATOM 1857 C LYS A 459 -9.392 10.122 4.584 1.00 0.14 C ATOM 1858 O LYS A 459 -10.419 10.317 3.927 1.00 0.21 O ATOM 1859 CB LYS A 459 -7.521 11.680 4.754 1.00 0.14 C ATOM 1860 CG LYS A 459 -6.057 11.764 4.721 1.00 0.15 C ATOM 1861 CD LYS A 459 -5.651 12.969 5.450 1.00 0.15 C ATOM 1862 CE LYS A 459 -5.738 14.150 4.557 1.00 0.20 C ATOM 1863 NZ LYS A 459 -5.205 15.390 5.181 1.00 0.24 N1+ ATOM 0 H LYS A 459 -7.570 11.449 2.323 1.00 0.19 H new ATOM 0 HA LYS A 459 -7.371 9.622 4.317 1.00 0.13 H new ATOM 0 HB2 LYS A 459 -7.945 12.562 4.274 1.00 0.14 H new ATOM 0 HB3 LYS A 459 -7.860 11.687 5.790 1.00 0.14 H new ATOM 0 HG2 LYS A 459 -5.615 10.878 5.176 1.00 0.15 H new ATOM 0 HG3 LYS A 459 -5.702 11.805 3.691 1.00 0.15 H new ATOM 0 HD2 LYS A 459 -6.292 13.112 6.320 1.00 0.15 H new ATOM 0 HD3 LYS A 459 -4.632 12.855 5.820 1.00 0.15 H new ATOM 0 HE2 LYS A 459 -5.187 13.946 3.639 1.00 0.20 H new ATOM 0 HE3 LYS A 459 -6.779 14.310 4.275 1.00 0.20 H new ATOM 0 HZ1 LYS A 459 -5.292 16.181 4.511 1.00 0.24 H new ATOM 0 HZ2 LYS A 459 -5.746 15.605 6.043 1.00 0.24 H new ATOM 0 HZ3 LYS A 459 -4.204 15.253 5.426 1.00 0.24 H new ATOM 1877 N GLY A 460 -9.371 9.639 5.782 1.00 0.13 N ATOM 1878 CA GLY A 460 -10.582 9.234 6.415 1.00 0.19 C ATOM 1879 C GLY A 460 -10.891 7.778 6.183 1.00 0.19 C ATOM 1880 O GLY A 460 -11.476 7.113 7.041 1.00 0.37 O ATOM 0 H GLY A 460 -8.528 9.515 6.343 1.00 0.13 H new ATOM 0 HA2 GLY A 460 -10.509 9.421 7.486 1.00 0.19 H new ATOM 0 HA3 GLY A 460 -11.406 9.842 6.040 1.00 0.19 H new ATOM 1884 N THR A 461 -10.477 7.283 5.024 1.00 0.12 N ATOM 1885 CA THR A 461 -10.729 5.925 4.635 1.00 0.10 C ATOM 1886 C THR A 461 -9.680 5.040 5.262 1.00 0.09 C ATOM 1887 O THR A 461 -8.522 5.430 5.384 1.00 0.12 O ATOM 1888 CB THR A 461 -10.684 5.804 3.096 1.00 0.11 C ATOM 1889 OG1 THR A 461 -11.883 6.348 2.525 1.00 0.15 O ATOM 1890 CG2 THR A 461 -10.485 4.356 2.629 1.00 0.08 C ATOM 0 H THR A 461 -9.956 7.824 4.333 1.00 0.12 H new ATOM 0 HA THR A 461 -11.717 5.616 4.975 1.00 0.10 H new ATOM 0 HB THR A 461 -9.822 6.375 2.751 1.00 0.11 H new ATOM 0 HG1 THR A 461 -11.846 6.269 1.549 1.00 0.15 H new ATOM 0 HG21 THR A 461 -10.460 4.325 1.540 1.00 0.08 H new ATOM 0 HG22 THR A 461 -9.544 3.972 3.024 1.00 0.08 H new ATOM 0 HG23 THR A 461 -11.309 3.741 2.991 1.00 0.08 H new ATOM 1898 N PRO A 462 -10.060 3.866 5.725 1.00 0.08 N ATOM 1899 CA PRO A 462 -9.116 2.934 6.216 1.00 0.10 C ATOM 1900 C PRO A 462 -8.402 2.231 5.104 1.00 0.09 C ATOM 1901 O PRO A 462 -8.734 2.368 3.936 1.00 0.10 O ATOM 1902 CB PRO A 462 -9.910 1.929 7.020 1.00 0.12 C ATOM 1903 CG PRO A 462 -11.314 2.324 6.883 1.00 0.09 C ATOM 1904 CD PRO A 462 -11.408 3.361 5.816 1.00 0.07 C ATOM 0 HA PRO A 462 -8.355 3.440 6.810 1.00 0.10 H new ATOM 0 HB2 PRO A 462 -9.751 0.917 6.647 1.00 0.12 H new ATOM 0 HB3 PRO A 462 -9.603 1.935 8.066 1.00 0.12 H new ATOM 0 HG2 PRO A 462 -11.928 1.460 6.628 1.00 0.09 H new ATOM 0 HG3 PRO A 462 -11.692 2.716 7.827 1.00 0.09 H new ATOM 0 HD2 PRO A 462 -11.743 2.936 4.870 1.00 0.07 H new ATOM 0 HD3 PRO A 462 -12.115 4.147 6.080 1.00 0.07 H new ATOM 1912 N VAL A 463 -7.440 1.468 5.481 1.00 0.09 N ATOM 1913 CA VAL A 463 -6.832 0.537 4.586 1.00 0.14 C ATOM 1914 C VAL A 463 -6.634 -0.753 5.331 1.00 0.12 C ATOM 1915 O VAL A 463 -6.698 -0.801 6.557 1.00 0.22 O ATOM 1916 CB VAL A 463 -5.491 1.013 3.971 1.00 0.27 C ATOM 1917 CG1 VAL A 463 -5.488 2.504 3.719 1.00 1.07 C ATOM 1918 CG2 VAL A 463 -4.310 0.621 4.796 1.00 1.09 C ATOM 0 H VAL A 463 -7.047 1.468 6.422 1.00 0.09 H new ATOM 0 HA VAL A 463 -7.502 0.419 3.734 1.00 0.14 H new ATOM 0 HB VAL A 463 -5.403 0.503 3.012 1.00 0.27 H new ATOM 0 HG11 VAL A 463 -4.531 2.798 3.288 1.00 1.07 H new ATOM 0 HG12 VAL A 463 -6.291 2.758 3.027 1.00 1.07 H new ATOM 0 HG13 VAL A 463 -5.640 3.032 4.660 1.00 1.07 H new ATOM 0 HG21 VAL A 463 -3.398 0.980 4.319 1.00 1.09 H new ATOM 0 HG22 VAL A 463 -4.398 1.062 5.789 1.00 1.09 H new ATOM 0 HG23 VAL A 463 -4.271 -0.465 4.883 1.00 1.09 H new ATOM 1928 N LEU A 464 -6.475 -1.797 4.596 1.00 0.07 N ATOM 1929 CA LEU A 464 -6.263 -3.081 5.171 1.00 0.06 C ATOM 1930 C LEU A 464 -5.084 -3.734 4.553 1.00 0.06 C ATOM 1931 O LEU A 464 -4.779 -3.503 3.399 1.00 0.06 O ATOM 1932 CB LEU A 464 -7.463 -3.914 4.879 1.00 0.06 C ATOM 1933 CG LEU A 464 -8.031 -4.661 6.048 1.00 0.08 C ATOM 1934 CD1 LEU A 464 -8.417 -3.679 7.138 1.00 0.12 C ATOM 1935 CD2 LEU A 464 -9.212 -5.457 5.567 1.00 0.13 C ATOM 0 H LEU A 464 -6.488 -1.786 3.576 1.00 0.07 H new ATOM 0 HA LEU A 464 -6.095 -2.979 6.243 1.00 0.06 H new ATOM 0 HB2 LEU A 464 -8.241 -3.269 4.470 1.00 0.06 H new ATOM 0 HB3 LEU A 464 -7.204 -4.633 4.102 1.00 0.06 H new ATOM 0 HG LEU A 464 -7.296 -5.346 6.472 1.00 0.08 H new ATOM 0 HD11 LEU A 464 -8.830 -4.223 7.988 1.00 0.12 H new ATOM 0 HD12 LEU A 464 -7.535 -3.124 7.456 1.00 0.12 H new ATOM 0 HD13 LEU A 464 -9.164 -2.984 6.754 1.00 0.12 H new ATOM 0 HD21 LEU A 464 -9.642 -6.010 6.402 1.00 0.13 H new ATOM 0 HD22 LEU A 464 -9.962 -4.782 5.154 1.00 0.13 H new ATOM 0 HD23 LEU A 464 -8.889 -6.157 4.796 1.00 0.13 H new ATOM 1947 N VAL A 465 -4.400 -4.487 5.357 1.00 0.06 N ATOM 1948 CA VAL A 465 -3.435 -5.432 4.896 1.00 0.06 C ATOM 1949 C VAL A 465 -3.530 -6.644 5.803 1.00 0.08 C ATOM 1950 O VAL A 465 -3.876 -6.497 6.978 1.00 0.09 O ATOM 1951 CB VAL A 465 -1.996 -4.863 4.847 1.00 0.06 C ATOM 1952 CG1 VAL A 465 -1.956 -3.379 4.479 1.00 0.07 C ATOM 1953 CG2 VAL A 465 -1.250 -5.117 6.103 1.00 0.07 C ATOM 0 H VAL A 465 -4.500 -4.460 6.372 1.00 0.06 H new ATOM 0 HA VAL A 465 -3.656 -5.700 3.863 1.00 0.06 H new ATOM 0 HB VAL A 465 -1.493 -5.405 4.046 1.00 0.06 H new ATOM 0 HG11 VAL A 465 -0.921 -3.037 4.460 1.00 0.07 H new ATOM 0 HG12 VAL A 465 -2.403 -3.236 3.495 1.00 0.07 H new ATOM 0 HG13 VAL A 465 -2.515 -2.806 5.219 1.00 0.07 H new ATOM 0 HG21 VAL A 465 -0.246 -4.700 6.021 1.00 0.07 H new ATOM 0 HG22 VAL A 465 -1.771 -4.647 6.937 1.00 0.07 H new ATOM 0 HG23 VAL A 465 -1.183 -6.191 6.276 1.00 0.07 H new ATOM 1963 N PHE A 466 -3.285 -7.827 5.265 1.00 0.11 N ATOM 1964 CA PHE A 466 -3.439 -9.055 6.033 1.00 0.14 C ATOM 1965 C PHE A 466 -2.758 -10.234 5.350 1.00 0.19 C ATOM 1966 O PHE A 466 -2.677 -10.244 4.103 1.00 1.16 O ATOM 1967 CB PHE A 466 -4.921 -9.346 6.265 1.00 0.13 C ATOM 1968 CG PHE A 466 -5.744 -9.333 5.014 1.00 0.12 C ATOM 1969 CD1 PHE A 466 -5.678 -10.367 4.093 1.00 0.14 C ATOM 1970 CD2 PHE A 466 -6.583 -8.273 4.759 1.00 0.14 C ATOM 1971 CE1 PHE A 466 -6.434 -10.336 2.940 1.00 0.18 C ATOM 1972 CE2 PHE A 466 -7.341 -8.242 3.617 1.00 0.17 C ATOM 1973 CZ PHE A 466 -7.271 -9.268 2.705 1.00 0.19 C ATOM 1974 OXT PHE A 466 -2.274 -11.136 6.068 1.00 1.08 O ATOM 0 H PHE A 466 -2.979 -7.965 4.302 1.00 0.11 H new ATOM 0 HA PHE A 466 -2.951 -8.913 6.997 1.00 0.14 H new ATOM 0 HB2 PHE A 466 -5.020 -10.321 6.743 1.00 0.13 H new ATOM 0 HB3 PHE A 466 -5.322 -8.608 6.960 1.00 0.13 H new ATOM 0 HD1 PHE A 466 -5.026 -11.207 4.281 1.00 0.14 H new ATOM 0 HD2 PHE A 466 -6.645 -7.458 5.465 1.00 0.14 H new ATOM 0 HE1 PHE A 466 -6.370 -11.144 2.226 1.00 0.18 H new ATOM 0 HE2 PHE A 466 -7.998 -7.405 3.433 1.00 0.17 H new ATOM 0 HZ PHE A 466 -7.870 -9.237 1.807 1.00 0.19 H new