USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=27 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 421 HIS : no HD1:sc= -4.86! C(o=-9.1!,f=-22!) USER MOD Set 1.2: A 439 SER OG : rot -179:sc= 0.127 USER MOD Set 1.3: A 442 CYS SG : rot 180:sc= 0.0461 USER MOD Set 1.4: A 444 ASN : amide:sc= -4.39! C(o=-9.1!,f=-9.4!) USER MOD Set 2.1: A 370 SER OG : rot 50:sc= 0.576 USER MOD Set 2.2: A 377 THR OG1 : rot -109:sc= 1.2 USER MOD Set 3.1: A 372 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 374 THR OG1 : rot 180:sc= -2.07! USER MOD Set 3.3: A 375 THR OG1 : rot 180:sc= 0 USER MOD Set 3.4: A 440 HIS : no HD1:sc= -0.145 K(o=-2.2,f=-3.1) USER MOD Set 4.1: A 354 MET CE :methyl -167:sc= -5.78! (180deg=-6.42!) USER MOD Set 4.2: A 445 THR OG1 : rot -155:sc= 1.12 USER MOD Single : A 343 THR OG1 : rot 30:sc= 0.352 USER MOD Single : A 344 TYR OH : rot -61:sc= 0.0032 USER MOD Single : A 351 ASN : amide:sc= -0.448 X(o=-0.45,f=0) USER MOD Single : A 352 GLN : amide:sc= -11! C(o=-11!,f=-17!) USER MOD Single : A 353 HIS : no HE2:sc= -3.01! C(o=-3!,f=-3.1!) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 357 TYR OH : rot 43:sc= 0.0618 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 70:sc= -1.75 USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 386 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.17) USER MOD Single : A 387 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 59:sc= -3.91! USER MOD Single : A 408 ASN : amide:sc= -12.1! C(o=-12!,f=-5.6!) USER MOD Single : A 409 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 MET CE :methyl -167:sc= -8.56! (180deg=-9.11!) USER MOD Single : A 416 THR OG1 : rot 10:sc= 1.17 USER MOD Single : A 423 SER OG : rot 116:sc= -2.99! USER MOD Single : A 426 GLN : amide:sc= -1.1 K(o=-1.1,f=-11!) USER MOD Single : A 429 TYR OH : rot 28:sc= -0.145 USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot -36:sc= 0.548 USER MOD Single : A 448 SER OG : rot 180:sc= 0.0282 USER MOD Single : A 450 MET CE :methyl 147:sc= -2.8 (180deg=-6.62!) USER MOD Single : A 451 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 MET CE :methyl 172:sc= -4.7! (180deg=-4.81!) 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 -16.098 0.567 4.509 1.00 0.23 N ATOM 73 CA THR A 343 -15.501 1.016 3.292 1.00 0.19 C ATOM 74 C THR A 343 -14.059 1.368 3.605 1.00 0.13 C ATOM 75 O THR A 343 -13.794 2.203 4.467 1.00 0.16 O ATOM 76 CB THR A 343 -16.241 2.261 2.794 1.00 0.24 C ATOM 77 OG1 THR A 343 -17.656 2.041 2.878 1.00 0.45 O ATOM 78 CG2 THR A 343 -15.873 2.573 1.370 1.00 0.20 C ATOM 0 HA THR A 343 -15.553 0.248 2.521 1.00 0.19 H new ATOM 0 HB THR A 343 -15.953 3.105 3.421 1.00 0.24 H new ATOM 0 HG1 THR A 343 -17.848 1.424 3.614 1.00 0.45 H new ATOM 0 HG21 THR A 343 -16.412 3.461 1.041 1.00 0.20 H new ATOM 0 HG22 THR A 343 -14.800 2.754 1.303 1.00 0.20 H new ATOM 0 HG23 THR A 343 -16.139 1.730 0.732 1.00 0.20 H new ATOM 86 N TYR A 344 -13.142 0.735 2.907 1.00 0.10 N ATOM 87 CA TYR A 344 -11.729 0.872 3.179 1.00 0.07 C ATOM 88 C TYR A 344 -10.896 0.530 1.973 1.00 0.06 C ATOM 89 O TYR A 344 -11.403 0.366 0.874 1.00 0.08 O ATOM 90 CB TYR A 344 -11.297 -0.058 4.310 1.00 0.08 C ATOM 91 CG TYR A 344 -11.891 -1.448 4.276 1.00 0.12 C ATOM 92 CD1 TYR A 344 -11.278 -2.494 3.601 1.00 0.14 C ATOM 93 CD2 TYR A 344 -13.071 -1.705 4.936 1.00 0.19 C ATOM 94 CE1 TYR A 344 -11.838 -3.759 3.587 1.00 0.20 C ATOM 95 CE2 TYR A 344 -13.642 -2.958 4.931 1.00 0.25 C ATOM 96 CZ TYR A 344 -13.024 -3.985 4.253 1.00 0.25 C ATOM 97 OH TYR A 344 -13.598 -5.236 4.232 1.00 0.32 O ATOM 0 H TYR A 344 -13.357 0.108 2.132 1.00 0.10 H new ATOM 0 HA TYR A 344 -11.571 1.914 3.457 1.00 0.07 H new ATOM 0 HB2 TYR A 344 -10.211 -0.146 4.289 1.00 0.08 H new ATOM 0 HB3 TYR A 344 -11.561 0.407 5.260 1.00 0.08 H new ATOM 0 HD1 TYR A 344 -10.349 -2.318 3.078 1.00 0.14 H new ATOM 0 HD2 TYR A 344 -13.561 -0.905 5.471 1.00 0.19 H new ATOM 0 HE1 TYR A 344 -11.350 -4.564 3.058 1.00 0.20 H new ATOM 0 HE2 TYR A 344 -14.569 -3.134 5.456 1.00 0.25 H new ATOM 0 HH TYR A 344 -13.816 -5.480 3.308 1.00 0.32 H new ATOM 107 N ILE A 345 -9.598 0.460 2.197 1.00 0.05 N ATOM 108 CA ILE A 345 -8.701 -0.132 1.238 1.00 0.05 C ATOM 109 C ILE A 345 -8.309 -1.501 1.753 1.00 0.05 C ATOM 110 O ILE A 345 -8.450 -1.749 2.939 1.00 0.08 O ATOM 111 CB ILE A 345 -7.425 0.696 1.020 1.00 0.06 C ATOM 112 CG1 ILE A 345 -7.735 2.174 0.976 1.00 0.07 C ATOM 113 CG2 ILE A 345 -6.788 0.270 -0.285 1.00 0.06 C ATOM 114 CD1 ILE A 345 -8.706 2.495 -0.102 1.00 0.07 C ATOM 0 H ILE A 345 -9.144 0.809 3.041 1.00 0.05 H new ATOM 0 HA ILE A 345 -9.218 -0.183 0.280 1.00 0.05 H new ATOM 0 HB ILE A 345 -6.743 0.521 1.852 1.00 0.06 H new ATOM 0 HG12 ILE A 345 -8.139 2.491 1.937 1.00 0.07 H new ATOM 0 HG13 ILE A 345 -6.814 2.735 0.817 1.00 0.07 H new ATOM 0 HG21 ILE A 345 -5.880 0.850 -0.453 1.00 0.06 H new ATOM 0 HG22 ILE A 345 -6.538 -0.790 -0.239 1.00 0.06 H new ATOM 0 HG23 ILE A 345 -7.486 0.443 -1.104 1.00 0.06 H new ATOM 0 HD11 ILE A 345 -8.906 3.567 -0.104 1.00 0.07 H new ATOM 0 HD12 ILE A 345 -8.290 2.201 -1.066 1.00 0.07 H new ATOM 0 HD13 ILE A 345 -9.635 1.953 0.072 1.00 0.07 H new ATOM 126 N GLU A 346 -7.823 -2.385 0.903 1.00 0.05 N ATOM 127 CA GLU A 346 -7.423 -3.704 1.370 1.00 0.05 C ATOM 128 C GLU A 346 -6.168 -4.161 0.699 1.00 0.05 C ATOM 129 O GLU A 346 -5.811 -3.688 -0.355 1.00 0.06 O ATOM 130 CB GLU A 346 -8.519 -4.720 1.125 1.00 0.06 C ATOM 131 CG GLU A 346 -8.743 -5.554 2.329 1.00 0.07 C ATOM 132 CD GLU A 346 -9.637 -6.755 2.106 1.00 0.09 C ATOM 133 OE1 GLU A 346 -9.411 -7.512 1.138 1.00 0.12 O ATOM 134 OE2 GLU A 346 -10.545 -6.976 2.932 1.00 0.17 O1- ATOM 0 H GLU A 346 -7.696 -2.222 -0.096 1.00 0.05 H new ATOM 0 HA GLU A 346 -7.240 -3.623 2.442 1.00 0.05 H new ATOM 0 HB2 GLU A 346 -9.442 -4.207 0.855 1.00 0.06 H new ATOM 0 HB3 GLU A 346 -8.250 -5.356 0.282 1.00 0.06 H new ATOM 0 HG2 GLU A 346 -7.778 -5.900 2.700 1.00 0.07 H new ATOM 0 HG3 GLU A 346 -9.181 -4.932 3.110 1.00 0.07 H new ATOM 141 N VAL A 347 -5.480 -5.042 1.375 1.00 0.05 N ATOM 142 CA VAL A 347 -4.226 -5.584 0.920 1.00 0.05 C ATOM 143 C VAL A 347 -4.041 -6.987 1.447 1.00 0.07 C ATOM 144 O VAL A 347 -4.246 -7.255 2.631 1.00 0.08 O ATOM 145 CB VAL A 347 -3.055 -4.749 1.436 1.00 0.06 C ATOM 146 CG1 VAL A 347 -1.748 -5.448 1.131 1.00 0.06 C ATOM 147 CG2 VAL A 347 -3.059 -3.357 0.852 1.00 0.06 C ATOM 0 H VAL A 347 -5.782 -5.411 2.277 1.00 0.05 H new ATOM 0 HA VAL A 347 -4.246 -5.577 -0.170 1.00 0.05 H new ATOM 0 HB VAL A 347 -3.165 -4.648 2.516 1.00 0.06 H new ATOM 0 HG11 VAL A 347 -0.918 -4.846 1.502 1.00 0.06 H new ATOM 0 HG12 VAL A 347 -1.735 -6.423 1.617 1.00 0.06 H new ATOM 0 HG13 VAL A 347 -1.648 -5.579 0.053 1.00 0.06 H new ATOM 0 HG21 VAL A 347 -2.211 -2.796 1.244 1.00 0.06 H new ATOM 0 HG22 VAL A 347 -2.984 -3.418 -0.234 1.00 0.06 H new ATOM 0 HG23 VAL A 347 -3.986 -2.851 1.124 1.00 0.06 H new ATOM 157 N ASP A 348 -3.625 -7.851 0.567 1.00 0.08 N ATOM 158 CA ASP A 348 -3.292 -9.212 0.915 1.00 0.11 C ATOM 159 C ASP A 348 -1.824 -9.412 0.668 1.00 0.15 C ATOM 160 O ASP A 348 -1.363 -9.280 -0.457 1.00 0.24 O ATOM 161 CB ASP A 348 -4.155 -10.161 0.092 1.00 0.14 C ATOM 162 CG ASP A 348 -3.939 -11.639 0.363 1.00 0.18 C ATOM 163 OD1 ASP A 348 -2.789 -12.069 0.514 1.00 0.33 O ATOM 164 OD2 ASP A 348 -4.942 -12.389 0.389 1.00 0.37 O1- ATOM 0 H ASP A 348 -3.505 -7.634 -0.422 1.00 0.08 H new ATOM 0 HA ASP A 348 -3.493 -9.420 1.966 1.00 0.11 H new ATOM 0 HB2 ASP A 348 -5.203 -9.925 0.277 1.00 0.14 H new ATOM 0 HB3 ASP A 348 -3.967 -9.972 -0.965 1.00 0.14 H new ATOM 169 N LEU A 349 -1.092 -9.646 1.726 1.00 0.13 N ATOM 170 CA LEU A 349 0.342 -9.802 1.640 1.00 0.14 C ATOM 171 C LEU A 349 0.696 -11.080 0.906 1.00 0.20 C ATOM 172 O LEU A 349 1.444 -11.103 -0.062 1.00 0.32 O ATOM 173 CB LEU A 349 0.922 -9.793 3.054 1.00 0.16 C ATOM 174 CG LEU A 349 0.791 -8.474 3.808 1.00 0.14 C ATOM 175 CD1 LEU A 349 0.968 -7.305 2.885 1.00 0.14 C ATOM 176 CD2 LEU A 349 -0.538 -8.367 4.491 1.00 0.12 C ATOM 0 H LEU A 349 -1.469 -9.734 2.670 1.00 0.13 H new ATOM 0 HA LEU A 349 0.772 -8.976 1.073 1.00 0.14 H new ATOM 0 HB2 LEU A 349 0.431 -10.574 3.635 1.00 0.16 H new ATOM 0 HB3 LEU A 349 1.978 -10.055 2.996 1.00 0.16 H new ATOM 0 HG LEU A 349 1.578 -8.458 4.562 1.00 0.14 H new ATOM 0 HD11 LEU A 349 0.870 -6.378 3.449 1.00 0.14 H new ATOM 0 HD12 LEU A 349 1.957 -7.349 2.428 1.00 0.14 H new ATOM 0 HD13 LEU A 349 0.207 -7.338 2.106 1.00 0.14 H new ATOM 0 HD21 LEU A 349 -0.600 -7.416 5.019 1.00 0.12 H new ATOM 0 HD22 LEU A 349 -1.334 -8.422 3.749 1.00 0.12 H new ATOM 0 HD23 LEU A 349 -0.648 -9.185 5.203 1.00 0.12 H new ATOM 188 N GLU A 350 0.094 -12.134 1.389 1.00 0.20 N ATOM 189 CA GLU A 350 0.245 -13.464 0.869 1.00 0.24 C ATOM 190 C GLU A 350 0.110 -13.537 -0.638 1.00 0.22 C ATOM 191 O GLU A 350 0.940 -14.119 -1.328 1.00 0.31 O ATOM 192 CB GLU A 350 -0.836 -14.274 1.495 1.00 0.31 C ATOM 193 CG GLU A 350 -0.487 -14.786 2.862 1.00 0.41 C ATOM 194 CD GLU A 350 0.147 -13.760 3.775 1.00 0.84 C ATOM 195 OE1 GLU A 350 -0.518 -12.745 4.078 1.00 1.51 O ATOM 196 OE2 GLU A 350 1.304 -13.953 4.187 1.00 0.96 O1- ATOM 0 H GLU A 350 -0.540 -12.086 2.187 1.00 0.20 H new ATOM 0 HA GLU A 350 1.246 -13.827 1.100 1.00 0.24 H new ATOM 0 HB2 GLU A 350 -1.740 -13.668 1.563 1.00 0.31 H new ATOM 0 HB3 GLU A 350 -1.067 -15.120 0.847 1.00 0.31 H new ATOM 0 HG2 GLU A 350 -1.392 -15.165 3.336 1.00 0.41 H new ATOM 0 HG3 GLU A 350 0.195 -15.630 2.757 1.00 0.41 H new ATOM 203 N ASN A 351 -0.990 -12.994 -1.120 1.00 0.18 N ATOM 204 CA ASN A 351 -1.353 -13.063 -2.522 1.00 0.19 C ATOM 205 C ASN A 351 -1.046 -11.744 -3.174 1.00 0.21 C ATOM 206 O ASN A 351 -1.424 -11.512 -4.327 1.00 0.35 O ATOM 207 CB ASN A 351 -2.844 -13.380 -2.656 1.00 0.27 C ATOM 208 CG ASN A 351 -3.204 -14.731 -2.085 1.00 0.48 C ATOM 209 OD1 ASN A 351 -3.176 -15.745 -2.782 1.00 0.91 O ATOM 210 ND2 ASN A 351 -3.547 -14.754 -0.808 1.00 0.39 N ATOM 0 H ASN A 351 -1.663 -12.488 -0.545 1.00 0.18 H new ATOM 0 HA ASN A 351 -0.782 -13.852 -3.012 1.00 0.19 H new ATOM 0 HB2 ASN A 351 -3.423 -12.609 -2.148 1.00 0.27 H new ATOM 0 HB3 ASN A 351 -3.125 -13.348 -3.709 1.00 0.27 H new ATOM 0 HD21 ASN A 351 -3.802 -15.636 -0.364 1.00 0.39 H new ATOM 0 HD22 ASN A 351 -3.557 -13.889 -0.267 1.00 0.39 H new ATOM 217 N GLN A 352 -0.353 -10.897 -2.409 1.00 0.12 N ATOM 218 CA GLN A 352 0.102 -9.578 -2.872 1.00 0.11 C ATOM 219 C GLN A 352 -0.918 -8.915 -3.784 1.00 0.11 C ATOM 220 O GLN A 352 -0.729 -8.807 -5.001 1.00 0.18 O ATOM 221 CB GLN A 352 1.447 -9.680 -3.568 1.00 0.18 C ATOM 222 CG GLN A 352 2.621 -9.975 -2.633 1.00 0.30 C ATOM 223 CD GLN A 352 2.805 -8.899 -1.574 1.00 1.41 C ATOM 224 OE1 GLN A 352 2.546 -7.743 -1.815 1.00 2.22 O ATOM 225 NE2 GLN A 352 3.240 -9.271 -0.387 1.00 1.92 N ATOM 0 H GLN A 352 -0.089 -11.105 -1.446 1.00 0.12 H new ATOM 0 HA GLN A 352 0.214 -8.950 -1.988 1.00 0.11 H new ATOM 0 HB2 GLN A 352 1.393 -10.465 -4.323 1.00 0.18 H new ATOM 0 HB3 GLN A 352 1.643 -8.745 -4.093 1.00 0.18 H new ATOM 0 HG2 GLN A 352 2.461 -10.937 -2.146 1.00 0.30 H new ATOM 0 HG3 GLN A 352 3.535 -10.063 -3.220 1.00 0.30 H new ATOM 0 HE21 GLN A 352 3.452 -10.252 -0.206 1.00 1.92 H new ATOM 0 HE22 GLN A 352 3.364 -8.578 0.351 1.00 1.92 H new ATOM 234 N HIS A 353 -1.984 -8.459 -3.169 1.00 0.07 N ATOM 235 CA HIS A 353 -3.103 -7.855 -3.887 1.00 0.07 C ATOM 236 C HIS A 353 -3.779 -6.818 -2.994 1.00 0.06 C ATOM 237 O HIS A 353 -4.150 -7.104 -1.870 1.00 0.07 O ATOM 238 CB HIS A 353 -4.116 -8.935 -4.259 1.00 0.08 C ATOM 239 CG HIS A 353 -5.004 -8.559 -5.409 1.00 0.09 C ATOM 240 ND1 HIS A 353 -4.772 -8.936 -6.713 1.00 0.11 N ATOM 241 CD2 HIS A 353 -6.138 -7.832 -5.435 1.00 0.12 C ATOM 242 CE1 HIS A 353 -5.731 -8.448 -7.483 1.00 0.13 C ATOM 243 NE2 HIS A 353 -6.576 -7.780 -6.730 1.00 0.13 N ATOM 0 H HIS A 353 -2.109 -8.492 -2.157 1.00 0.07 H new ATOM 0 HA HIS A 353 -2.733 -7.375 -4.793 1.00 0.07 H new ATOM 0 HB2 HIS A 353 -3.581 -9.851 -4.509 1.00 0.08 H new ATOM 0 HB3 HIS A 353 -4.736 -9.154 -3.390 1.00 0.08 H new ATOM 0 HD1 HIS A 353 -3.986 -9.501 -7.034 1.00 0.11 H new ATOM 0 HD2 HIS A 353 -6.617 -7.371 -4.584 1.00 0.12 H new ATOM 0 HE1 HIS A 353 -5.807 -8.577 -8.553 1.00 0.13 H new ATOM 252 N MET A 354 -3.906 -5.616 -3.500 1.00 0.05 N ATOM 253 CA MET A 354 -4.508 -4.519 -2.787 1.00 0.05 C ATOM 254 C MET A 354 -5.823 -4.113 -3.434 1.00 0.04 C ATOM 255 O MET A 354 -5.900 -3.889 -4.639 1.00 0.05 O ATOM 256 CB MET A 354 -3.531 -3.359 -2.779 1.00 0.05 C ATOM 257 CG MET A 354 -4.064 -2.147 -2.065 1.00 0.06 C ATOM 258 SD MET A 354 -3.707 -0.627 -2.920 1.00 0.06 S ATOM 259 CE MET A 354 -4.645 -0.992 -4.367 1.00 0.06 C ATOM 0 H MET A 354 -3.587 -5.369 -4.437 1.00 0.05 H new ATOM 0 HA MET A 354 -4.729 -4.821 -1.763 1.00 0.05 H new ATOM 0 HB2 MET A 354 -2.603 -3.676 -2.303 1.00 0.05 H new ATOM 0 HB3 MET A 354 -3.286 -3.090 -3.807 1.00 0.05 H new ATOM 0 HG2 MET A 354 -5.143 -2.247 -1.946 1.00 0.06 H new ATOM 0 HG3 MET A 354 -3.636 -2.104 -1.064 1.00 0.06 H new ATOM 0 HE1 MET A 354 -4.391 -0.282 -5.154 1.00 0.06 H new ATOM 0 HE2 MET A 354 -4.417 -2.003 -4.703 1.00 0.06 H new ATOM 0 HE3 MET A 354 -5.708 -0.917 -4.140 1.00 0.06 H new ATOM 269 N TRP A 355 -6.848 -4.043 -2.602 1.00 0.05 N ATOM 270 CA TRP A 355 -8.198 -3.737 -3.028 1.00 0.05 C ATOM 271 C TRP A 355 -8.652 -2.398 -2.524 1.00 0.05 C ATOM 272 O TRP A 355 -7.992 -1.785 -1.713 1.00 0.05 O ATOM 273 CB TRP A 355 -9.185 -4.758 -2.499 1.00 0.06 C ATOM 274 CG TRP A 355 -9.045 -6.106 -3.081 1.00 0.07 C ATOM 275 CD1 TRP A 355 -9.645 -6.560 -4.200 1.00 0.08 C ATOM 276 CD2 TRP A 355 -8.276 -7.179 -2.559 1.00 0.08 C ATOM 277 NE1 TRP A 355 -9.282 -7.853 -4.434 1.00 0.09 N ATOM 278 CE2 TRP A 355 -8.440 -8.268 -3.426 1.00 0.08 C ATOM 279 CE3 TRP A 355 -7.458 -7.318 -1.443 1.00 0.08 C ATOM 280 CZ2 TRP A 355 -7.806 -9.491 -3.205 1.00 0.10 C ATOM 281 CZ3 TRP A 355 -6.835 -8.519 -1.223 1.00 0.09 C ATOM 282 CH2 TRP A 355 -7.009 -9.598 -2.099 1.00 0.10 C ATOM 0 H TRP A 355 -6.762 -4.200 -1.598 1.00 0.05 H new ATOM 0 HA TRP A 355 -8.174 -3.745 -4.118 1.00 0.05 H new ATOM 0 HB2 TRP A 355 -9.069 -4.830 -1.418 1.00 0.06 H new ATOM 0 HB3 TRP A 355 -10.196 -4.398 -2.688 1.00 0.06 H new ATOM 0 HD1 TRP A 355 -10.315 -5.983 -4.820 1.00 0.08 H new ATOM 0 HE1 TRP A 355 -9.584 -8.420 -5.226 1.00 0.09 H new ATOM 0 HE3 TRP A 355 -7.316 -6.493 -0.761 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 -7.940 -10.322 -3.882 1.00 0.10 H new ATOM 0 HZ3 TRP A 355 -6.198 -8.635 -0.358 1.00 0.09 H new ATOM 0 HH2 TRP A 355 -6.505 -10.531 -1.897 1.00 0.10 H new ATOM 293 N TYR A 356 -9.809 -1.982 -2.980 1.00 0.06 N ATOM 294 CA TYR A 356 -10.512 -0.881 -2.367 1.00 0.06 C ATOM 295 C TYR A 356 -11.883 -1.372 -2.044 1.00 0.06 C ATOM 296 O TYR A 356 -12.619 -1.763 -2.916 1.00 0.07 O ATOM 297 CB TYR A 356 -10.560 0.331 -3.270 1.00 0.06 C ATOM 298 CG TYR A 356 -11.376 1.491 -2.677 1.00 0.08 C ATOM 299 CD1 TYR A 356 -12.727 1.364 -2.446 1.00 0.18 C ATOM 300 CD2 TYR A 356 -10.786 2.700 -2.322 1.00 0.07 C ATOM 301 CE1 TYR A 356 -13.459 2.387 -1.885 1.00 0.22 C ATOM 302 CE2 TYR A 356 -11.516 3.728 -1.754 1.00 0.09 C ATOM 303 CZ TYR A 356 -12.855 3.626 -1.666 1.00 0.13 C ATOM 304 OH TYR A 356 -13.594 4.573 -0.967 1.00 0.20 O ATOM 0 H TYR A 356 -10.287 -2.394 -3.781 1.00 0.06 H new ATOM 0 HA TYR A 356 -9.993 -0.556 -1.465 1.00 0.06 H new ATOM 0 HB2 TYR A 356 -9.543 0.672 -3.465 1.00 0.06 H new ATOM 0 HB3 TYR A 356 -10.990 0.045 -4.230 1.00 0.06 H new ATOM 0 HD1 TYR A 356 -13.224 0.442 -2.710 1.00 0.18 H new ATOM 0 HD2 TYR A 356 -9.729 2.839 -2.495 1.00 0.07 H new ATOM 0 HE1 TYR A 356 -14.493 2.231 -1.616 1.00 0.22 H new ATOM 0 HE2 TYR A 356 -11.014 4.609 -1.383 1.00 0.09 H new ATOM 0 HH TYR A 356 -13.069 5.395 -0.875 1.00 0.20 H new ATOM 314 N TYR A 357 -12.207 -1.417 -0.788 1.00 0.09 N ATOM 315 CA TYR A 357 -13.490 -1.921 -0.403 1.00 0.11 C ATOM 316 C TYR A 357 -14.470 -0.824 -0.136 1.00 0.12 C ATOM 317 O TYR A 357 -14.239 0.073 0.655 1.00 0.14 O ATOM 318 CB TYR A 357 -13.434 -2.842 0.803 1.00 0.12 C ATOM 319 CG TYR A 357 -13.044 -4.246 0.466 1.00 0.12 C ATOM 320 CD1 TYR A 357 -11.761 -4.551 0.027 1.00 0.12 C ATOM 321 CD2 TYR A 357 -13.957 -5.268 0.599 1.00 0.14 C ATOM 322 CE1 TYR A 357 -11.411 -5.850 -0.275 1.00 0.14 C ATOM 323 CE2 TYR A 357 -13.619 -6.559 0.306 1.00 0.16 C ATOM 324 CZ TYR A 357 -12.299 -6.828 -0.181 1.00 0.14 C ATOM 325 OH TYR A 357 -12.011 -8.149 -0.434 1.00 0.18 O ATOM 0 H TYR A 357 -11.609 -1.115 -0.019 1.00 0.09 H new ATOM 0 HA TYR A 357 -13.828 -2.504 -1.259 1.00 0.11 H new ATOM 0 HB2 TYR A 357 -12.723 -2.439 1.525 1.00 0.12 H new ATOM 0 HB3 TYR A 357 -14.410 -2.851 1.288 1.00 0.12 H new ATOM 0 HD1 TYR A 357 -11.031 -3.762 -0.079 1.00 0.12 H new ATOM 0 HD2 TYR A 357 -14.957 -5.045 0.941 1.00 0.14 H new ATOM 0 HE1 TYR A 357 -10.403 -6.072 -0.591 1.00 0.14 H new ATOM 0 HE2 TYR A 357 -14.332 -7.359 0.439 1.00 0.16 H new ATOM 0 HH TYR A 357 -11.148 -8.379 -0.030 1.00 0.18 H new ATOM 335 N LYS A 358 -15.564 -0.945 -0.809 1.00 0.12 N ATOM 336 CA LYS A 358 -16.685 -0.124 -0.655 1.00 0.14 C ATOM 337 C LYS A 358 -17.893 -0.936 -0.974 1.00 0.17 C ATOM 338 O LYS A 358 -17.879 -1.770 -1.876 1.00 0.19 O ATOM 339 CB LYS A 358 -16.570 1.069 -1.523 1.00 0.18 C ATOM 340 CG LYS A 358 -17.854 1.680 -1.774 1.00 0.24 C ATOM 341 CD LYS A 358 -17.685 3.129 -1.649 1.00 0.28 C ATOM 342 CE LYS A 358 -17.102 3.674 -2.905 1.00 0.42 C ATOM 343 NZ LYS A 358 -17.417 5.109 -3.126 1.00 0.47 N1+ ATOM 0 H LYS A 358 -15.692 -1.666 -1.519 1.00 0.12 H new ATOM 0 HA LYS A 358 -16.762 0.242 0.369 1.00 0.14 H new ATOM 0 HB2 LYS A 358 -15.908 1.796 -1.054 1.00 0.18 H new ATOM 0 HB3 LYS A 358 -16.112 0.785 -2.470 1.00 0.18 H new ATOM 0 HG2 LYS A 358 -18.214 1.421 -2.770 1.00 0.24 H new ATOM 0 HG3 LYS A 358 -18.596 1.318 -1.063 1.00 0.24 H new ATOM 0 HD2 LYS A 358 -18.646 3.601 -1.448 1.00 0.28 H new ATOM 0 HD3 LYS A 358 -17.034 3.358 -0.805 1.00 0.28 H new ATOM 0 HE2 LYS A 358 -16.020 3.547 -2.880 1.00 0.42 H new ATOM 0 HE3 LYS A 358 -17.472 3.094 -3.750 1.00 0.42 H new ATOM 0 HZ1 LYS A 358 -16.983 5.427 -4.016 1.00 0.47 H new ATOM 0 HZ2 LYS A 358 -18.448 5.234 -3.180 1.00 0.47 H new ATOM 0 HZ3 LYS A 358 -17.041 5.672 -2.337 1.00 0.47 H new ATOM 357 N ASP A 359 -18.912 -0.714 -0.176 1.00 0.23 N ATOM 358 CA ASP A 359 -20.185 -1.371 -0.333 1.00 0.30 C ATOM 359 C ASP A 359 -20.038 -2.809 0.061 1.00 0.27 C ATOM 360 O ASP A 359 -20.895 -3.654 -0.190 1.00 0.33 O ATOM 361 CB ASP A 359 -20.663 -1.241 -1.767 1.00 0.34 C ATOM 362 CG ASP A 359 -22.161 -1.056 -1.886 1.00 0.44 C ATOM 363 OD1 ASP A 359 -22.626 0.100 -1.818 1.00 0.49 O1- ATOM 364 OD2 ASP A 359 -22.881 -2.062 -2.058 1.00 0.60 O ATOM 0 H ASP A 359 -18.878 -0.064 0.609 1.00 0.23 H new ATOM 0 HA ASP A 359 -20.931 -0.903 0.309 1.00 0.30 H new ATOM 0 HB2 ASP A 359 -20.161 -0.394 -2.234 1.00 0.34 H new ATOM 0 HB3 ASP A 359 -20.369 -2.131 -2.323 1.00 0.34 H new ATOM 369 N GLY A 360 -18.924 -3.034 0.743 1.00 0.22 N ATOM 370 CA GLY A 360 -18.577 -4.331 1.226 1.00 0.21 C ATOM 371 C GLY A 360 -18.034 -5.204 0.135 1.00 0.19 C ATOM 372 O GLY A 360 -17.959 -6.427 0.250 1.00 0.23 O ATOM 0 H GLY A 360 -18.243 -2.309 0.969 1.00 0.22 H new ATOM 0 HA2 GLY A 360 -17.836 -4.237 2.019 1.00 0.21 H new ATOM 0 HA3 GLY A 360 -19.456 -4.803 1.665 1.00 0.21 H new ATOM 376 N LYS A 361 -17.632 -4.524 -0.896 1.00 0.16 N ATOM 377 CA LYS A 361 -17.255 -5.072 -2.158 1.00 0.17 C ATOM 378 C LYS A 361 -16.035 -4.295 -2.598 1.00 0.13 C ATOM 379 O LYS A 361 -15.662 -3.342 -1.924 1.00 0.15 O ATOM 380 CB LYS A 361 -18.469 -4.863 -3.061 1.00 0.22 C ATOM 381 CG LYS A 361 -18.199 -4.571 -4.508 1.00 0.32 C ATOM 382 CD LYS A 361 -18.315 -5.790 -5.388 1.00 0.55 C ATOM 383 CE LYS A 361 -17.564 -6.940 -4.804 1.00 0.52 C ATOM 384 NZ LYS A 361 -17.508 -8.113 -5.711 1.00 0.68 N1+ ATOM 0 H LYS A 361 -17.555 -3.507 -0.874 1.00 0.16 H new ATOM 0 HA LYS A 361 -16.997 -6.131 -2.160 1.00 0.17 H new ATOM 0 HB2 LYS A 361 -19.090 -5.757 -3.006 1.00 0.22 H new ATOM 0 HB3 LYS A 361 -19.057 -4.041 -2.653 1.00 0.22 H new ATOM 0 HG2 LYS A 361 -18.898 -3.811 -4.856 1.00 0.32 H new ATOM 0 HG3 LYS A 361 -17.198 -4.152 -4.607 1.00 0.32 H new ATOM 0 HD2 LYS A 361 -19.365 -6.059 -5.508 1.00 0.55 H new ATOM 0 HD3 LYS A 361 -17.928 -5.565 -6.382 1.00 0.55 H new ATOM 0 HE2 LYS A 361 -16.549 -6.622 -4.567 1.00 0.52 H new ATOM 0 HE3 LYS A 361 -18.033 -7.235 -3.865 1.00 0.52 H new ATOM 0 HZ1 LYS A 361 -16.975 -8.880 -5.254 1.00 0.68 H new ATOM 0 HZ2 LYS A 361 -18.474 -8.438 -5.918 1.00 0.68 H new ATOM 0 HZ3 LYS A 361 -17.036 -7.844 -6.598 1.00 0.68 H new ATOM 398 N VAL A 362 -15.383 -4.658 -3.674 1.00 0.10 N ATOM 399 CA VAL A 362 -14.239 -3.882 -4.050 1.00 0.09 C ATOM 400 C VAL A 362 -14.519 -2.991 -5.200 1.00 0.09 C ATOM 401 O VAL A 362 -15.177 -3.319 -6.190 1.00 0.11 O ATOM 402 CB VAL A 362 -12.945 -4.649 -4.314 1.00 0.18 C ATOM 403 CG1 VAL A 362 -12.674 -5.660 -3.241 1.00 0.53 C ATOM 404 CG2 VAL A 362 -12.926 -5.269 -5.673 1.00 0.52 C ATOM 0 H VAL A 362 -15.613 -5.448 -4.277 1.00 0.10 H new ATOM 0 HA VAL A 362 -14.055 -3.300 -3.147 1.00 0.09 H new ATOM 0 HB VAL A 362 -12.134 -3.921 -4.288 1.00 0.18 H new ATOM 0 HG11 VAL A 362 -11.745 -6.186 -3.463 1.00 0.53 H new ATOM 0 HG12 VAL A 362 -12.584 -5.155 -2.279 1.00 0.53 H new ATOM 0 HG13 VAL A 362 -13.495 -6.375 -3.199 1.00 0.53 H new ATOM 0 HG21 VAL A 362 -11.987 -5.804 -5.816 1.00 0.52 H new ATOM 0 HG22 VAL A 362 -13.759 -5.966 -5.766 1.00 0.52 H new ATOM 0 HG23 VAL A 362 -13.019 -4.490 -6.430 1.00 0.52 H new ATOM 414 N ALA A 363 -13.991 -1.849 -4.985 1.00 0.09 N ATOM 415 CA ALA A 363 -14.016 -0.768 -5.874 1.00 0.10 C ATOM 416 C ALA A 363 -12.786 -0.817 -6.719 1.00 0.10 C ATOM 417 O ALA A 363 -12.729 -0.281 -7.828 1.00 0.12 O ATOM 418 CB ALA A 363 -13.982 0.457 -5.030 1.00 0.11 C ATOM 0 H ALA A 363 -13.496 -1.635 -4.119 1.00 0.09 H new ATOM 0 HA ALA A 363 -14.894 -0.786 -6.520 1.00 0.10 H new ATOM 0 HB1 ALA A 363 -13.999 1.340 -5.669 1.00 0.11 H new ATOM 0 HB2 ALA A 363 -14.850 0.469 -4.371 1.00 0.11 H new ATOM 0 HB3 ALA A 363 -13.071 0.461 -4.431 1.00 0.11 H new ATOM 424 N LEU A 364 -11.791 -1.473 -6.162 1.00 0.08 N ATOM 425 CA LEU A 364 -10.502 -1.485 -6.746 1.00 0.07 C ATOM 426 C LEU A 364 -9.795 -2.748 -6.315 1.00 0.06 C ATOM 427 O LEU A 364 -10.122 -3.325 -5.280 1.00 0.08 O ATOM 428 CB LEU A 364 -9.714 -0.243 -6.358 1.00 0.06 C ATOM 429 CG LEU A 364 -8.741 0.178 -7.435 1.00 0.07 C ATOM 430 CD1 LEU A 364 -9.412 1.016 -8.488 1.00 0.07 C ATOM 431 CD2 LEU A 364 -7.559 0.921 -6.903 1.00 0.06 C ATOM 0 H LEU A 364 -11.870 -2.005 -5.296 1.00 0.08 H new ATOM 0 HA LEU A 364 -10.588 -1.472 -7.833 1.00 0.07 H new ATOM 0 HB2 LEU A 364 -10.405 0.575 -6.156 1.00 0.06 H new ATOM 0 HB3 LEU A 364 -9.169 -0.435 -5.434 1.00 0.06 H new ATOM 0 HG LEU A 364 -8.383 -0.752 -7.877 1.00 0.07 H new ATOM 0 HD11 LEU A 364 -8.682 1.301 -9.246 1.00 0.07 H new ATOM 0 HD12 LEU A 364 -10.214 0.442 -8.953 1.00 0.07 H new ATOM 0 HD13 LEU A 364 -9.827 1.913 -8.029 1.00 0.07 H new ATOM 0 HD21 LEU A 364 -6.900 1.194 -7.727 1.00 0.06 H new ATOM 0 HD22 LEU A 364 -7.896 1.824 -6.393 1.00 0.06 H new ATOM 0 HD23 LEU A 364 -7.018 0.288 -6.200 1.00 0.06 H new ATOM 443 N GLU A 365 -8.857 -3.176 -7.119 1.00 0.07 N ATOM 444 CA GLU A 365 -8.148 -4.436 -6.911 1.00 0.07 C ATOM 445 C GLU A 365 -6.937 -4.472 -7.787 1.00 0.07 C ATOM 446 O GLU A 365 -7.041 -4.327 -9.003 1.00 0.09 O ATOM 447 CB GLU A 365 -8.975 -5.674 -7.249 1.00 0.09 C ATOM 448 CG GLU A 365 -10.357 -5.383 -7.801 1.00 0.22 C ATOM 449 CD GLU A 365 -10.867 -6.485 -8.705 1.00 0.26 C ATOM 450 OE1 GLU A 365 -11.377 -7.498 -8.187 1.00 0.61 O ATOM 451 OE2 GLU A 365 -10.782 -6.335 -9.942 1.00 0.60 O1- ATOM 0 H GLU A 365 -8.553 -2.664 -7.947 1.00 0.07 H new ATOM 0 HA GLU A 365 -7.905 -4.467 -5.849 1.00 0.07 H new ATOM 0 HB2 GLU A 365 -8.427 -6.273 -7.977 1.00 0.09 H new ATOM 0 HB3 GLU A 365 -9.079 -6.281 -6.350 1.00 0.09 H new ATOM 0 HG2 GLU A 365 -11.053 -5.246 -6.974 1.00 0.22 H new ATOM 0 HG3 GLU A 365 -10.332 -4.445 -8.356 1.00 0.22 H new ATOM 458 N THR A 366 -5.795 -4.634 -7.190 1.00 0.06 N ATOM 459 CA THR A 366 -4.608 -4.810 -7.953 1.00 0.06 C ATOM 460 C THR A 366 -3.610 -5.674 -7.241 1.00 0.06 C ATOM 461 O THR A 366 -3.724 -5.958 -6.060 1.00 0.07 O ATOM 462 CB THR A 366 -4.013 -3.455 -8.298 1.00 0.07 C ATOM 463 OG1 THR A 366 -2.795 -3.604 -9.017 1.00 0.09 O ATOM 464 CG2 THR A 366 -3.787 -2.677 -7.032 1.00 0.07 C ATOM 0 H THR A 366 -5.665 -4.647 -6.178 1.00 0.06 H new ATOM 0 HA THR A 366 -4.870 -5.327 -8.876 1.00 0.06 H new ATOM 0 HB THR A 366 -4.710 -2.912 -8.937 1.00 0.07 H new ATOM 0 HG1 THR A 366 -2.985 -3.951 -9.914 1.00 0.09 H new ATOM 0 HG21 THR A 366 -3.360 -1.704 -7.274 1.00 0.07 H new ATOM 0 HG22 THR A 366 -4.737 -2.538 -6.516 1.00 0.07 H new ATOM 0 HG23 THR A 366 -3.100 -3.224 -6.387 1.00 0.07 H new ATOM 472 N ASP A 367 -2.648 -6.073 -8.002 1.00 0.07 N ATOM 473 CA ASP A 367 -1.543 -6.842 -7.556 1.00 0.10 C ATOM 474 C ASP A 367 -0.507 -5.888 -7.052 1.00 0.10 C ATOM 475 O ASP A 367 -0.361 -4.786 -7.580 1.00 0.11 O ATOM 476 CB ASP A 367 -1.024 -7.672 -8.721 1.00 0.15 C ATOM 477 CG ASP A 367 -0.885 -6.907 -10.035 1.00 1.14 C ATOM 478 OD1 ASP A 367 -1.852 -6.230 -10.447 1.00 1.88 O ATOM 479 OD2 ASP A 367 0.163 -7.033 -10.697 1.00 1.54 O1- ATOM 0 H ASP A 367 -2.612 -5.860 -8.999 1.00 0.07 H new ATOM 0 HA ASP A 367 -1.818 -7.527 -6.754 1.00 0.10 H new ATOM 0 HB2 ASP A 367 -0.052 -8.084 -8.451 1.00 0.15 H new ATOM 0 HB3 ASP A 367 -1.696 -8.516 -8.877 1.00 0.15 H new ATOM 484 N ILE A 368 0.139 -6.280 -5.983 1.00 0.09 N ATOM 485 CA ILE A 368 1.101 -5.435 -5.320 1.00 0.09 C ATOM 486 C ILE A 368 2.284 -6.231 -4.815 1.00 0.09 C ATOM 487 O ILE A 368 2.429 -7.409 -5.111 1.00 0.11 O ATOM 488 CB ILE A 368 0.464 -4.688 -4.147 1.00 0.08 C ATOM 489 CG1 ILE A 368 -0.278 -5.670 -3.262 1.00 0.08 C ATOM 490 CG2 ILE A 368 -0.456 -3.594 -4.646 1.00 0.08 C ATOM 491 CD1 ILE A 368 0.424 -5.947 -1.967 1.00 0.11 C ATOM 0 H ILE A 368 0.013 -7.194 -5.547 1.00 0.09 H new ATOM 0 HA ILE A 368 1.449 -4.715 -6.060 1.00 0.09 H new ATOM 0 HB ILE A 368 1.247 -4.212 -3.557 1.00 0.08 H new ATOM 0 HG12 ILE A 368 -1.273 -5.279 -3.051 1.00 0.08 H new ATOM 0 HG13 ILE A 368 -0.412 -6.607 -3.803 1.00 0.08 H new ATOM 0 HG21 ILE A 368 -0.899 -3.075 -3.796 1.00 0.08 H new ATOM 0 HG22 ILE A 368 0.114 -2.885 -5.247 1.00 0.08 H new ATOM 0 HG23 ILE A 368 -1.246 -4.033 -5.255 1.00 0.08 H new ATOM 0 HD11 ILE A 368 -0.160 -6.657 -1.381 1.00 0.11 H new ATOM 0 HD12 ILE A 368 1.409 -6.367 -2.170 1.00 0.11 H new ATOM 0 HD13 ILE A 368 0.534 -5.018 -1.407 1.00 0.11 H new ATOM 503 N VAL A 369 3.126 -5.570 -4.054 1.00 0.09 N ATOM 504 CA VAL A 369 4.257 -6.210 -3.411 1.00 0.09 C ATOM 505 C VAL A 369 4.652 -5.400 -2.190 1.00 0.09 C ATOM 506 O VAL A 369 4.942 -4.211 -2.280 1.00 0.11 O ATOM 507 CB VAL A 369 5.451 -6.456 -4.370 1.00 0.10 C ATOM 508 CG1 VAL A 369 5.442 -5.500 -5.535 1.00 0.10 C ATOM 509 CG2 VAL A 369 6.771 -6.365 -3.637 1.00 0.12 C ATOM 0 H VAL A 369 3.048 -4.571 -3.861 1.00 0.09 H new ATOM 0 HA VAL A 369 3.951 -7.208 -3.097 1.00 0.09 H new ATOM 0 HB VAL A 369 5.336 -7.467 -4.761 1.00 0.10 H new ATOM 0 HG11 VAL A 369 6.295 -5.707 -6.182 1.00 0.10 H new ATOM 0 HG12 VAL A 369 4.519 -5.625 -6.101 1.00 0.10 H new ATOM 0 HG13 VAL A 369 5.506 -4.476 -5.166 1.00 0.10 H new ATOM 0 HG21 VAL A 369 7.588 -6.542 -4.336 1.00 0.12 H new ATOM 0 HG22 VAL A 369 6.876 -5.372 -3.199 1.00 0.12 H new ATOM 0 HG23 VAL A 369 6.801 -7.115 -2.847 1.00 0.12 H new ATOM 519 N SER A 370 4.579 -6.052 -1.047 1.00 0.09 N ATOM 520 CA SER A 370 4.619 -5.380 0.229 1.00 0.10 C ATOM 521 C SER A 370 5.408 -6.152 1.276 1.00 0.10 C ATOM 522 O SER A 370 5.346 -7.376 1.337 1.00 0.10 O ATOM 523 CB SER A 370 3.194 -5.224 0.706 1.00 0.12 C ATOM 524 OG SER A 370 3.154 -4.940 2.079 1.00 0.70 O ATOM 0 H SER A 370 4.490 -7.066 -0.981 1.00 0.09 H new ATOM 0 HA SER A 370 5.118 -4.420 0.097 1.00 0.10 H new ATOM 0 HB2 SER A 370 2.706 -4.423 0.151 1.00 0.12 H new ATOM 0 HB3 SER A 370 2.636 -6.138 0.503 1.00 0.12 H new ATOM 0 HG SER A 370 3.767 -4.202 2.278 1.00 0.70 H new ATOM 530 N GLY A 371 6.109 -5.413 2.119 1.00 0.09 N ATOM 531 CA GLY A 371 6.597 -5.971 3.358 1.00 0.10 C ATOM 532 C GLY A 371 7.764 -6.948 3.263 1.00 0.11 C ATOM 533 O GLY A 371 7.707 -7.993 3.900 1.00 0.13 O ATOM 0 H GLY A 371 6.349 -4.434 1.966 1.00 0.09 H new ATOM 0 HA2 GLY A 371 6.896 -5.147 4.006 1.00 0.10 H new ATOM 0 HA3 GLY A 371 5.768 -6.480 3.851 1.00 0.10 H new ATOM 537 N LYS A 372 8.794 -6.639 2.469 1.00 0.11 N ATOM 538 CA LYS A 372 9.901 -7.540 2.230 1.00 0.14 C ATOM 539 C LYS A 372 10.403 -8.101 3.536 1.00 0.16 C ATOM 540 O LYS A 372 10.419 -7.408 4.540 1.00 0.19 O ATOM 541 CB LYS A 372 11.014 -6.802 1.511 1.00 0.17 C ATOM 542 CG LYS A 372 11.651 -5.705 2.306 1.00 0.22 C ATOM 543 CD LYS A 372 13.019 -6.109 2.681 1.00 0.30 C ATOM 544 CE LYS A 372 14.056 -5.405 1.843 1.00 0.47 C ATOM 545 NZ LYS A 372 15.440 -5.834 2.172 1.00 0.48 N1+ ATOM 0 H LYS A 372 8.874 -5.749 1.976 1.00 0.11 H new ATOM 0 HA LYS A 372 9.562 -8.366 1.605 1.00 0.14 H new ATOM 0 HB2 LYS A 372 11.783 -7.520 1.226 1.00 0.17 H new ATOM 0 HB3 LYS A 372 10.615 -6.380 0.589 1.00 0.17 H new ATOM 0 HG2 LYS A 372 11.678 -4.785 1.722 1.00 0.22 H new ATOM 0 HG3 LYS A 372 11.062 -5.498 3.200 1.00 0.22 H new ATOM 0 HD2 LYS A 372 13.189 -5.886 3.734 1.00 0.30 H new ATOM 0 HD3 LYS A 372 13.126 -7.187 2.563 1.00 0.30 H new ATOM 0 HE2 LYS A 372 13.860 -5.600 0.789 1.00 0.47 H new ATOM 0 HE3 LYS A 372 13.968 -4.329 1.990 1.00 0.47 H new ATOM 0 HZ1 LYS A 372 16.115 -5.321 1.569 1.00 0.48 H new ATOM 0 HZ2 LYS A 372 15.640 -5.625 3.171 1.00 0.48 H new ATOM 0 HZ3 LYS A 372 15.535 -6.856 2.007 1.00 0.48 H new ATOM 559 N PRO A 373 10.781 -9.365 3.507 1.00 0.18 N ATOM 560 CA PRO A 373 11.108 -10.191 4.673 1.00 0.20 C ATOM 561 C PRO A 373 11.769 -9.467 5.860 1.00 0.20 C ATOM 562 O PRO A 373 11.549 -9.838 7.017 1.00 0.22 O ATOM 563 CB PRO A 373 12.042 -11.181 4.034 1.00 0.23 C ATOM 564 CG PRO A 373 11.341 -11.484 2.773 1.00 0.22 C ATOM 565 CD PRO A 373 10.925 -10.138 2.269 1.00 0.19 C ATOM 0 HA PRO A 373 10.218 -10.595 5.156 1.00 0.20 H new ATOM 0 HB2 PRO A 373 13.031 -10.757 3.861 1.00 0.23 H new ATOM 0 HB3 PRO A 373 12.179 -12.070 4.650 1.00 0.23 H new ATOM 0 HG2 PRO A 373 11.994 -11.993 2.064 1.00 0.22 H new ATOM 0 HG3 PRO A 373 10.481 -12.133 2.938 1.00 0.22 H new ATOM 0 HD2 PRO A 373 11.673 -9.705 1.605 1.00 0.19 H new ATOM 0 HD3 PRO A 373 9.991 -10.185 1.709 1.00 0.19 H new ATOM 573 N THR A 374 12.555 -8.432 5.587 1.00 0.20 N ATOM 574 CA THR A 374 13.273 -7.723 6.629 1.00 0.23 C ATOM 575 C THR A 374 12.372 -6.692 7.297 1.00 0.20 C ATOM 576 O THR A 374 12.498 -6.409 8.487 1.00 0.23 O ATOM 577 CB THR A 374 14.511 -7.025 6.045 1.00 0.28 C ATOM 578 OG1 THR A 374 14.180 -5.720 5.544 1.00 0.28 O ATOM 579 CG2 THR A 374 15.070 -7.854 4.912 1.00 0.30 C ATOM 0 H THR A 374 12.709 -8.067 4.647 1.00 0.20 H new ATOM 0 HA THR A 374 13.591 -8.450 7.376 1.00 0.23 H new ATOM 0 HB THR A 374 15.249 -6.920 6.841 1.00 0.28 H new ATOM 0 HG1 THR A 374 14.985 -5.296 5.179 1.00 0.28 H new ATOM 0 HG21 THR A 374 15.948 -7.359 4.498 1.00 0.30 H new ATOM 0 HG22 THR A 374 15.351 -8.839 5.286 1.00 0.30 H new ATOM 0 HG23 THR A 374 14.314 -7.963 4.134 1.00 0.30 H new ATOM 587 N THR A 375 11.461 -6.128 6.519 1.00 0.18 N ATOM 588 CA THR A 375 10.524 -5.153 7.036 1.00 0.18 C ATOM 589 C THR A 375 9.150 -5.365 6.419 1.00 0.14 C ATOM 590 O THR A 375 8.716 -4.642 5.522 1.00 0.13 O ATOM 591 CB THR A 375 10.994 -3.711 6.816 1.00 0.23 C ATOM 592 OG1 THR A 375 12.367 -3.580 7.219 1.00 0.30 O ATOM 593 CG2 THR A 375 10.131 -2.756 7.621 1.00 0.27 C ATOM 0 H THR A 375 11.354 -6.332 5.525 1.00 0.18 H new ATOM 0 HA THR A 375 10.464 -5.305 8.114 1.00 0.18 H new ATOM 0 HB THR A 375 10.905 -3.466 5.758 1.00 0.23 H new ATOM 0 HG1 THR A 375 12.664 -2.657 7.075 1.00 0.30 H new ATOM 0 HG21 THR A 375 10.472 -1.733 7.459 1.00 0.27 H new ATOM 0 HG22 THR A 375 9.093 -2.847 7.302 1.00 0.27 H new ATOM 0 HG23 THR A 375 10.208 -3.001 8.680 1.00 0.27 H new ATOM 601 N PRO A 376 8.496 -6.410 6.891 1.00 0.13 N ATOM 602 CA PRO A 376 7.174 -6.837 6.454 1.00 0.11 C ATOM 603 C PRO A 376 6.065 -5.922 6.915 1.00 0.11 C ATOM 604 O PRO A 376 6.220 -5.108 7.830 1.00 0.15 O ATOM 605 CB PRO A 376 7.013 -8.202 7.110 1.00 0.14 C ATOM 606 CG PRO A 376 8.372 -8.580 7.503 1.00 0.16 C ATOM 607 CD PRO A 376 9.028 -7.311 7.884 1.00 0.15 C ATOM 0 HA PRO A 376 7.103 -6.840 5.366 1.00 0.11 H new ATOM 0 HB2 PRO A 376 6.349 -8.152 7.973 1.00 0.14 H new ATOM 0 HB3 PRO A 376 6.583 -8.927 6.419 1.00 0.14 H new ATOM 0 HG2 PRO A 376 8.361 -9.284 8.335 1.00 0.16 H new ATOM 0 HG3 PRO A 376 8.899 -9.066 6.682 1.00 0.16 H new ATOM 0 HD2 PRO A 376 8.771 -7.004 8.898 1.00 0.15 H new ATOM 0 HD3 PRO A 376 10.115 -7.380 7.837 1.00 0.15 H new ATOM 615 N THR A 377 4.943 -6.073 6.245 1.00 0.08 N ATOM 616 CA THR A 377 3.747 -5.335 6.540 1.00 0.08 C ATOM 617 C THR A 377 3.107 -5.835 7.826 1.00 0.08 C ATOM 618 O THR A 377 3.216 -7.002 8.186 1.00 0.11 O ATOM 619 CB THR A 377 2.753 -5.496 5.391 1.00 0.09 C ATOM 620 OG1 THR A 377 3.359 -6.286 4.362 1.00 0.12 O ATOM 621 CG2 THR A 377 2.328 -4.162 4.824 1.00 0.11 C ATOM 0 H THR A 377 4.841 -6.725 5.467 1.00 0.08 H new ATOM 0 HA THR A 377 4.011 -4.285 6.664 1.00 0.08 H new ATOM 0 HB THR A 377 1.860 -5.988 5.776 1.00 0.09 H new ATOM 0 HG1 THR A 377 3.557 -5.719 3.588 1.00 0.12 H new ATOM 0 HG21 THR A 377 1.621 -4.321 4.010 1.00 0.11 H new ATOM 0 HG22 THR A 377 1.853 -3.569 5.606 1.00 0.11 H new ATOM 0 HG23 THR A 377 3.202 -3.632 4.447 1.00 0.11 H new ATOM 629 N PRO A 378 2.390 -4.932 8.483 1.00 0.07 N ATOM 630 CA PRO A 378 1.823 -5.124 9.812 1.00 0.07 C ATOM 631 C PRO A 378 0.540 -5.940 9.813 1.00 0.07 C ATOM 632 O PRO A 378 0.391 -6.860 10.612 1.00 0.09 O ATOM 633 CB PRO A 378 1.514 -3.700 10.271 1.00 0.08 C ATOM 634 CG PRO A 378 1.827 -2.795 9.129 1.00 0.09 C ATOM 635 CD PRO A 378 2.052 -3.638 7.939 1.00 0.08 C ATOM 0 HA PRO A 378 2.511 -5.676 10.452 1.00 0.07 H new ATOM 0 HB2 PRO A 378 0.467 -3.607 10.561 1.00 0.08 H new ATOM 0 HB3 PRO A 378 2.111 -3.439 11.145 1.00 0.08 H new ATOM 0 HG2 PRO A 378 1.006 -2.100 8.956 1.00 0.09 H new ATOM 0 HG3 PRO A 378 2.711 -2.196 9.347 1.00 0.09 H new ATOM 0 HD2 PRO A 378 1.161 -3.689 7.313 1.00 0.08 H new ATOM 0 HD3 PRO A 378 2.856 -3.244 7.318 1.00 0.08 H new ATOM 643 N ALA A 379 -0.384 -5.576 8.921 1.00 0.06 N ATOM 644 CA ALA A 379 -1.678 -6.227 8.806 1.00 0.07 C ATOM 645 C ALA A 379 -2.579 -6.027 10.016 1.00 0.07 C ATOM 646 O ALA A 379 -2.235 -6.364 11.149 1.00 0.09 O ATOM 647 CB ALA A 379 -1.491 -7.676 8.465 1.00 0.08 C ATOM 0 H ALA A 379 -0.248 -4.815 8.256 1.00 0.06 H new ATOM 0 HA ALA A 379 -2.212 -5.740 7.990 1.00 0.07 H new ATOM 0 HB1 ALA A 379 -2.465 -8.158 8.380 1.00 0.08 H new ATOM 0 HB2 ALA A 379 -0.960 -7.761 7.517 1.00 0.08 H new ATOM 0 HB3 ALA A 379 -0.912 -8.163 9.250 1.00 0.08 H new ATOM 653 N GLY A 380 -3.751 -5.472 9.738 1.00 0.08 N ATOM 654 CA GLY A 380 -4.706 -5.160 10.768 1.00 0.10 C ATOM 655 C GLY A 380 -5.756 -4.205 10.272 1.00 0.10 C ATOM 656 O GLY A 380 -6.420 -4.466 9.270 1.00 0.11 O ATOM 0 H GLY A 380 -4.056 -5.230 8.795 1.00 0.08 H new ATOM 0 HA2 GLY A 380 -5.181 -6.077 11.115 1.00 0.10 H new ATOM 0 HA3 GLY A 380 -4.191 -4.724 11.624 1.00 0.10 H new ATOM 660 N VAL A 381 -5.881 -3.092 10.958 1.00 0.11 N ATOM 661 CA VAL A 381 -6.829 -2.073 10.606 1.00 0.12 C ATOM 662 C VAL A 381 -6.127 -0.721 10.550 1.00 0.12 C ATOM 663 O VAL A 381 -5.757 -0.126 11.566 1.00 0.21 O ATOM 664 CB VAL A 381 -8.006 -2.072 11.592 1.00 0.16 C ATOM 665 CG1 VAL A 381 -7.563 -1.779 13.019 1.00 0.89 C ATOM 666 CG2 VAL A 381 -9.099 -1.114 11.141 1.00 0.87 C ATOM 0 H VAL A 381 -5.321 -2.872 11.781 1.00 0.11 H new ATOM 0 HA VAL A 381 -7.241 -2.279 9.618 1.00 0.12 H new ATOM 0 HB VAL A 381 -8.422 -3.079 11.594 1.00 0.16 H new ATOM 0 HG11 VAL A 381 -8.431 -1.789 13.679 1.00 0.89 H new ATOM 0 HG12 VAL A 381 -6.852 -2.539 13.343 1.00 0.89 H new ATOM 0 HG13 VAL A 381 -7.089 -0.798 13.059 1.00 0.89 H new ATOM 0 HG21 VAL A 381 -9.919 -1.134 11.858 1.00 0.87 H new ATOM 0 HG22 VAL A 381 -8.695 -0.103 11.080 1.00 0.87 H new ATOM 0 HG23 VAL A 381 -9.467 -1.417 10.161 1.00 0.87 H new ATOM 676 N PHE A 382 -5.904 -0.264 9.346 1.00 0.10 N ATOM 677 CA PHE A 382 -5.104 0.913 9.118 1.00 0.10 C ATOM 678 C PHE A 382 -6.006 2.033 8.634 1.00 0.09 C ATOM 679 O PHE A 382 -7.147 1.776 8.267 1.00 0.11 O ATOM 680 CB PHE A 382 -4.053 0.594 8.059 1.00 0.16 C ATOM 681 CG PHE A 382 -3.241 -0.620 8.361 1.00 0.11 C ATOM 682 CD1 PHE A 382 -2.102 -0.525 9.142 1.00 0.14 C ATOM 683 CD2 PHE A 382 -3.615 -1.851 7.870 1.00 0.08 C ATOM 684 CE1 PHE A 382 -1.356 -1.635 9.428 1.00 0.15 C ATOM 685 CE2 PHE A 382 -2.868 -2.968 8.152 1.00 0.08 C ATOM 686 CZ PHE A 382 -1.746 -2.870 8.905 1.00 0.10 C ATOM 0 H PHE A 382 -6.270 -0.695 8.497 1.00 0.10 H new ATOM 0 HA PHE A 382 -4.608 1.222 10.038 1.00 0.10 H new ATOM 0 HB2 PHE A 382 -4.549 0.458 7.098 1.00 0.16 H new ATOM 0 HB3 PHE A 382 -3.385 1.449 7.954 1.00 0.16 H new ATOM 0 HD1 PHE A 382 -1.799 0.436 9.530 1.00 0.14 H new ATOM 0 HD2 PHE A 382 -4.501 -1.938 7.259 1.00 0.08 H new ATOM 0 HE1 PHE A 382 -0.477 -1.558 10.050 1.00 0.15 H new ATOM 0 HE2 PHE A 382 -3.177 -3.930 7.771 1.00 0.08 H new ATOM 0 HZ PHE A 382 -1.151 -3.750 9.102 1.00 0.10 H new ATOM 696 N TYR A 383 -5.513 3.262 8.634 1.00 0.08 N ATOM 697 CA TYR A 383 -6.292 4.394 8.132 1.00 0.09 C ATOM 698 C TYR A 383 -5.391 5.435 7.534 1.00 0.09 C ATOM 699 O TYR A 383 -4.381 5.787 8.135 1.00 0.11 O ATOM 700 CB TYR A 383 -7.112 5.087 9.218 1.00 0.12 C ATOM 701 CG TYR A 383 -8.091 4.204 9.965 1.00 0.25 C ATOM 702 CD1 TYR A 383 -9.256 3.761 9.348 1.00 0.39 C ATOM 703 CD2 TYR A 383 -7.859 3.813 11.276 1.00 0.53 C ATOM 704 CE1 TYR A 383 -10.156 2.954 10.017 1.00 0.51 C ATOM 705 CE2 TYR A 383 -8.755 3.009 11.951 1.00 0.64 C ATOM 706 CZ TYR A 383 -9.878 2.587 11.355 1.00 0.54 C ATOM 707 OH TYR A 383 -10.795 1.778 11.988 1.00 0.69 O ATOM 0 H TYR A 383 -4.582 3.505 8.973 1.00 0.08 H new ATOM 0 HA TYR A 383 -6.967 3.971 7.389 1.00 0.09 H new ATOM 0 HB2 TYR A 383 -6.425 5.529 9.940 1.00 0.12 H new ATOM 0 HB3 TYR A 383 -7.666 5.907 8.762 1.00 0.12 H new ATOM 0 HD1 TYR A 383 -9.461 4.053 8.329 1.00 0.39 H new ATOM 0 HD2 TYR A 383 -6.961 4.144 11.777 1.00 0.53 H new ATOM 0 HE1 TYR A 383 -11.055 2.610 9.528 1.00 0.51 H new ATOM 0 HE2 TYR A 383 -8.549 2.717 12.970 1.00 0.64 H new ATOM 0 HH TYR A 383 -10.493 1.594 12.902 1.00 0.69 H new ATOM 717 N VAL A 384 -5.766 5.967 6.391 1.00 0.09 N ATOM 718 CA VAL A 384 -4.986 7.020 5.798 1.00 0.10 C ATOM 719 C VAL A 384 -5.153 8.313 6.579 1.00 0.11 C ATOM 720 O VAL A 384 -6.268 8.784 6.817 1.00 0.13 O ATOM 721 CB VAL A 384 -5.298 7.231 4.297 1.00 0.11 C ATOM 722 CG1 VAL A 384 -6.744 6.931 3.992 1.00 0.12 C ATOM 723 CG2 VAL A 384 -4.959 8.644 3.864 1.00 0.14 C ATOM 0 H VAL A 384 -6.594 5.690 5.864 1.00 0.09 H new ATOM 0 HA VAL A 384 -3.943 6.708 5.851 1.00 0.10 H new ATOM 0 HB VAL A 384 -4.675 6.535 3.735 1.00 0.11 H new ATOM 0 HG11 VAL A 384 -6.932 7.088 2.930 1.00 0.12 H new ATOM 0 HG12 VAL A 384 -6.963 5.895 4.250 1.00 0.12 H new ATOM 0 HG13 VAL A 384 -7.384 7.593 4.576 1.00 0.12 H new ATOM 0 HG21 VAL A 384 -5.188 8.765 2.805 1.00 0.14 H new ATOM 0 HG22 VAL A 384 -5.547 9.354 4.446 1.00 0.14 H new ATOM 0 HG23 VAL A 384 -3.898 8.831 4.029 1.00 0.14 H new ATOM 733 N TRP A 385 -4.032 8.863 7.004 1.00 0.12 N ATOM 734 CA TRP A 385 -4.040 10.070 7.801 1.00 0.14 C ATOM 735 C TRP A 385 -3.438 11.238 7.063 1.00 0.16 C ATOM 736 O TRP A 385 -3.294 12.331 7.608 1.00 0.19 O ATOM 737 CB TRP A 385 -3.295 9.866 9.095 1.00 0.16 C ATOM 738 CG TRP A 385 -1.968 9.223 8.907 1.00 0.15 C ATOM 739 CD1 TRP A 385 -1.720 7.894 8.807 1.00 0.14 C ATOM 740 CD2 TRP A 385 -0.711 9.882 8.793 1.00 0.15 C ATOM 741 NE1 TRP A 385 -0.369 7.682 8.649 1.00 0.14 N ATOM 742 CE2 TRP A 385 0.271 8.891 8.643 1.00 0.15 C ATOM 743 CE3 TRP A 385 -0.323 11.216 8.810 1.00 0.17 C ATOM 744 CZ2 TRP A 385 1.622 9.198 8.512 1.00 0.15 C ATOM 745 CZ3 TRP A 385 1.008 11.522 8.678 1.00 0.18 C ATOM 746 CH2 TRP A 385 1.974 10.519 8.534 1.00 0.17 C ATOM 0 H TRP A 385 -3.103 8.490 6.809 1.00 0.12 H new ATOM 0 HA TRP A 385 -5.085 10.296 8.013 1.00 0.14 H new ATOM 0 HB2 TRP A 385 -3.159 10.830 9.585 1.00 0.16 H new ATOM 0 HB3 TRP A 385 -3.899 9.251 9.762 1.00 0.16 H new ATOM 0 HD1 TRP A 385 -2.470 7.118 8.846 1.00 0.14 H new ATOM 0 HE1 TRP A 385 0.081 6.772 8.552 1.00 0.14 H new ATOM 0 HE3 TRP A 385 -1.057 12.000 8.925 1.00 0.17 H new ATOM 0 HZ2 TRP A 385 2.364 8.422 8.397 1.00 0.15 H new ATOM 0 HZ3 TRP A 385 1.317 12.557 8.685 1.00 0.18 H new ATOM 0 HH2 TRP A 385 3.014 10.793 8.439 1.00 0.17 H new ATOM 757 N ASN A 386 -3.099 11.005 5.820 1.00 0.16 N ATOM 758 CA ASN A 386 -2.582 12.054 4.966 1.00 0.21 C ATOM 759 C ASN A 386 -2.641 11.635 3.514 1.00 0.20 C ATOM 760 O ASN A 386 -2.565 10.457 3.191 1.00 0.18 O ATOM 761 CB ASN A 386 -1.150 12.422 5.335 1.00 0.24 C ATOM 762 CG ASN A 386 -0.722 13.688 4.645 1.00 0.32 C ATOM 763 OD1 ASN A 386 -0.885 14.787 5.169 1.00 0.41 O ATOM 764 ND2 ASN A 386 -0.177 13.535 3.456 1.00 0.31 N ATOM 0 H ASN A 386 -3.171 10.092 5.371 1.00 0.16 H new ATOM 0 HA ASN A 386 -3.210 12.932 5.114 1.00 0.21 H new ATOM 0 HB2 ASN A 386 -1.070 12.548 6.415 1.00 0.24 H new ATOM 0 HB3 ASN A 386 -0.479 11.609 5.058 1.00 0.24 H new ATOM 0 HD21 ASN A 386 0.131 14.351 2.928 1.00 0.31 H new ATOM 0 HD22 ASN A 386 -0.063 12.600 3.064 1.00 0.31 H new ATOM 771 N LYS A 387 -2.821 12.607 2.655 1.00 0.22 N ATOM 772 CA LYS A 387 -2.708 12.403 1.235 1.00 0.22 C ATOM 773 C LYS A 387 -1.487 13.104 0.699 1.00 0.19 C ATOM 774 O LYS A 387 -1.415 14.331 0.645 1.00 0.24 O ATOM 775 CB LYS A 387 -3.928 12.928 0.541 1.00 0.32 C ATOM 776 CG LYS A 387 -5.085 11.996 0.542 1.00 1.09 C ATOM 777 CD LYS A 387 -6.338 12.823 0.556 1.00 0.96 C ATOM 778 CE LYS A 387 -6.342 13.814 -0.578 1.00 0.57 C ATOM 779 NZ LYS A 387 -7.638 13.860 -1.301 1.00 0.67 N1+ ATOM 0 H LYS A 387 -3.051 13.564 2.923 1.00 0.22 H new ATOM 0 HA LYS A 387 -2.616 11.333 1.047 1.00 0.22 H new ATOM 0 HB2 LYS A 387 -4.229 13.861 1.018 1.00 0.32 H new ATOM 0 HB3 LYS A 387 -3.670 13.166 -0.491 1.00 0.32 H new ATOM 0 HG2 LYS A 387 -5.060 11.355 -0.339 1.00 1.09 H new ATOM 0 HG3 LYS A 387 -5.049 11.342 1.413 1.00 1.09 H new ATOM 0 HD2 LYS A 387 -7.209 12.172 0.478 1.00 0.96 H new ATOM 0 HD3 LYS A 387 -6.419 13.351 1.506 1.00 0.96 H new ATOM 0 HE2 LYS A 387 -6.114 14.806 -0.188 1.00 0.57 H new ATOM 0 HE3 LYS A 387 -5.549 13.558 -1.280 1.00 0.57 H new ATOM 0 HZ1 LYS A 387 -7.582 14.558 -2.070 1.00 0.67 H new ATOM 0 HZ2 LYS A 387 -7.847 12.922 -1.700 1.00 0.67 H new ATOM 0 HZ3 LYS A 387 -8.394 14.132 -0.641 1.00 0.67 H new ATOM 793 N GLU A 388 -0.538 12.308 0.322 1.00 0.18 N ATOM 794 CA GLU A 388 0.685 12.777 -0.246 1.00 0.18 C ATOM 795 C GLU A 388 0.706 12.462 -1.711 1.00 0.23 C ATOM 796 O GLU A 388 0.345 11.390 -2.143 1.00 0.38 O ATOM 797 CB GLU A 388 1.846 12.145 0.486 1.00 0.16 C ATOM 798 CG GLU A 388 2.617 13.143 1.307 1.00 0.16 C ATOM 799 CD GLU A 388 3.719 12.516 2.139 1.00 0.20 C ATOM 800 OE1 GLU A 388 4.846 12.361 1.630 1.00 0.32 O ATOM 801 OE2 GLU A 388 3.464 12.184 3.317 1.00 0.32 O1- ATOM 0 H GLU A 388 -0.593 11.293 0.402 1.00 0.18 H new ATOM 0 HA GLU A 388 0.769 13.858 -0.138 1.00 0.18 H new ATOM 0 HB2 GLU A 388 1.474 11.353 1.136 1.00 0.16 H new ATOM 0 HB3 GLU A 388 2.516 11.677 -0.235 1.00 0.16 H new ATOM 0 HG2 GLU A 388 3.053 13.889 0.643 1.00 0.16 H new ATOM 0 HG3 GLU A 388 1.928 13.669 1.968 1.00 0.16 H new ATOM 808 N GLU A 389 1.045 13.448 -2.465 1.00 0.17 N ATOM 809 CA GLU A 389 1.054 13.352 -3.887 1.00 0.19 C ATOM 810 C GLU A 389 2.355 13.851 -4.427 1.00 0.21 C ATOM 811 O GLU A 389 2.838 14.906 -4.005 1.00 0.26 O ATOM 812 CB GLU A 389 -0.064 14.199 -4.409 1.00 0.21 C ATOM 813 CG GLU A 389 -1.422 13.747 -3.972 1.00 0.30 C ATOM 814 CD GLU A 389 -2.542 14.541 -4.612 1.00 1.06 C ATOM 815 OE1 GLU A 389 -2.858 14.293 -5.795 1.00 1.96 O1- ATOM 816 OE2 GLU A 389 -3.106 15.426 -3.935 1.00 1.18 O ATOM 0 H GLU A 389 1.329 14.360 -2.108 1.00 0.17 H new ATOM 0 HA GLU A 389 0.928 12.314 -4.196 1.00 0.19 H new ATOM 0 HB2 GLU A 389 0.089 15.227 -4.081 1.00 0.21 H new ATOM 0 HB3 GLU A 389 -0.026 14.203 -5.498 1.00 0.21 H new ATOM 0 HG2 GLU A 389 -1.545 12.692 -4.218 1.00 0.30 H new ATOM 0 HG3 GLU A 389 -1.496 13.832 -2.888 1.00 0.30 H new ATOM 823 N ASP A 390 2.894 13.115 -5.359 1.00 0.20 N ATOM 824 CA ASP A 390 4.235 13.375 -5.865 1.00 0.19 C ATOM 825 C ASP A 390 5.160 13.496 -4.667 1.00 0.21 C ATOM 826 O ASP A 390 6.022 14.371 -4.556 1.00 0.40 O ATOM 827 CB ASP A 390 4.250 14.641 -6.696 1.00 0.24 C ATOM 828 CG ASP A 390 5.563 14.854 -7.427 1.00 0.26 C ATOM 829 OD1 ASP A 390 5.810 14.142 -8.425 1.00 0.38 O1- ATOM 830 OD2 ASP A 390 6.354 15.730 -7.015 1.00 0.36 O ATOM 0 H ASP A 390 2.428 12.319 -5.795 1.00 0.20 H new ATOM 0 HA ASP A 390 4.567 12.563 -6.512 1.00 0.19 H new ATOM 0 HB2 ASP A 390 3.438 14.602 -7.422 1.00 0.24 H new ATOM 0 HB3 ASP A 390 4.058 15.497 -6.049 1.00 0.24 H new ATOM 835 N ALA A 391 4.883 12.613 -3.746 1.00 0.15 N ATOM 836 CA ALA A 391 5.501 12.572 -2.463 1.00 0.16 C ATOM 837 C ALA A 391 6.696 11.671 -2.477 1.00 0.15 C ATOM 838 O ALA A 391 6.944 10.935 -3.432 1.00 0.16 O ATOM 839 CB ALA A 391 4.487 12.102 -1.442 1.00 0.16 C ATOM 0 H ALA A 391 4.191 11.876 -3.882 1.00 0.15 H new ATOM 0 HA ALA A 391 5.846 13.571 -2.197 1.00 0.16 H new ATOM 0 HB1 ALA A 391 4.952 12.068 -0.457 1.00 0.16 H new ATOM 0 HB2 ALA A 391 3.644 12.793 -1.422 1.00 0.16 H new ATOM 0 HB3 ALA A 391 4.134 11.107 -1.711 1.00 0.16 H new ATOM 845 N THR A 392 7.422 11.739 -1.407 1.00 0.16 N ATOM 846 CA THR A 392 8.640 11.009 -1.275 1.00 0.17 C ATOM 847 C THR A 392 8.653 10.255 0.025 1.00 0.16 C ATOM 848 O THR A 392 8.820 10.809 1.115 1.00 0.18 O ATOM 849 CB THR A 392 9.872 11.903 -1.370 1.00 0.20 C ATOM 850 OG1 THR A 392 10.008 12.405 -2.704 1.00 0.27 O ATOM 851 CG2 THR A 392 11.117 11.114 -0.968 1.00 0.22 C ATOM 0 H THR A 392 7.183 12.307 -0.594 1.00 0.16 H new ATOM 0 HA THR A 392 8.684 10.309 -2.109 1.00 0.17 H new ATOM 0 HB THR A 392 9.757 12.747 -0.690 1.00 0.20 H new ATOM 0 HG1 THR A 392 10.800 12.980 -2.758 1.00 0.27 H new ATOM 0 HG21 THR A 392 11.994 11.758 -1.038 1.00 0.22 H new ATOM 0 HG22 THR A 392 11.008 10.759 0.057 1.00 0.22 H new ATOM 0 HG23 THR A 392 11.239 10.261 -1.636 1.00 0.22 H new ATOM 859 N LEU A 393 8.409 8.998 -0.126 1.00 0.15 N ATOM 860 CA LEU A 393 8.465 8.046 0.926 1.00 0.16 C ATOM 861 C LEU A 393 9.874 7.739 1.267 1.00 0.17 C ATOM 862 O LEU A 393 10.770 7.975 0.476 1.00 0.18 O ATOM 863 CB LEU A 393 7.770 6.816 0.457 1.00 0.16 C ATOM 864 CG LEU A 393 6.269 6.889 0.489 1.00 0.19 C ATOM 865 CD1 LEU A 393 5.767 7.940 -0.478 1.00 0.16 C ATOM 866 CD2 LEU A 393 5.702 5.557 0.116 1.00 0.24 C ATOM 0 H LEU A 393 8.154 8.590 -1.025 1.00 0.15 H new ATOM 0 HA LEU A 393 7.983 8.439 1.821 1.00 0.16 H new ATOM 0 HB2 LEU A 393 8.088 6.603 -0.564 1.00 0.16 H new ATOM 0 HB3 LEU A 393 8.092 5.976 1.073 1.00 0.16 H new ATOM 0 HG LEU A 393 5.951 7.160 1.496 1.00 0.19 H new ATOM 0 HD11 LEU A 393 4.678 7.978 -0.441 1.00 0.16 H new ATOM 0 HD12 LEU A 393 6.174 8.913 -0.202 1.00 0.16 H new ATOM 0 HD13 LEU A 393 6.087 7.687 -1.489 1.00 0.16 H new ATOM 0 HD21 LEU A 393 4.613 5.606 0.138 1.00 0.24 H new ATOM 0 HD22 LEU A 393 6.033 5.289 -0.887 1.00 0.24 H new ATOM 0 HD23 LEU A 393 6.046 4.804 0.825 1.00 0.24 H new ATOM 878 N LYS A 394 10.062 7.253 2.455 1.00 0.20 N ATOM 879 CA LYS A 394 11.334 6.964 2.958 1.00 0.24 C ATOM 880 C LYS A 394 11.233 5.805 3.892 1.00 0.30 C ATOM 881 O LYS A 394 10.156 5.230 4.041 1.00 0.38 O ATOM 882 CB LYS A 394 11.885 8.174 3.635 1.00 0.29 C ATOM 883 CG LYS A 394 12.626 8.976 2.662 1.00 0.29 C ATOM 884 CD LYS A 394 12.147 10.378 2.584 1.00 0.61 C ATOM 885 CE LYS A 394 12.681 11.184 3.731 1.00 0.52 C ATOM 886 NZ LYS A 394 12.368 12.631 3.592 1.00 0.67 N1+ ATOM 0 H LYS A 394 9.303 7.047 3.105 1.00 0.20 H new ATOM 0 HA LYS A 394 12.016 6.694 2.151 1.00 0.24 H new ATOM 0 HB2 LYS A 394 11.076 8.763 4.068 1.00 0.29 H new ATOM 0 HB3 LYS A 394 12.540 7.880 4.455 1.00 0.29 H new ATOM 0 HG2 LYS A 394 13.683 8.973 2.926 1.00 0.29 H new ATOM 0 HG3 LYS A 394 12.542 8.514 1.679 1.00 0.29 H new ATOM 0 HD2 LYS A 394 12.463 10.824 1.641 1.00 0.61 H new ATOM 0 HD3 LYS A 394 11.057 10.397 2.596 1.00 0.61 H new ATOM 0 HE2 LYS A 394 12.259 10.810 4.664 1.00 0.52 H new ATOM 0 HE3 LYS A 394 13.761 11.052 3.795 1.00 0.52 H new ATOM 0 HZ1 LYS A 394 12.755 13.150 4.406 1.00 0.67 H new ATOM 0 HZ2 LYS A 394 12.792 12.995 2.715 1.00 0.67 H new ATOM 0 HZ3 LYS A 394 11.337 12.761 3.558 1.00 0.67 H new ATOM 1015 N GLU A 404 13.990 5.829 -0.121 1.00 0.28 N ATOM 1016 CA GLU A 404 12.911 6.675 -0.600 1.00 0.24 C ATOM 1017 C GLU A 404 12.051 5.976 -1.627 1.00 0.24 C ATOM 1018 O GLU A 404 12.456 5.013 -2.280 1.00 0.31 O ATOM 1019 CB GLU A 404 13.419 7.957 -1.222 1.00 0.27 C ATOM 1020 CG GLU A 404 13.798 9.039 -0.252 1.00 0.29 C ATOM 1021 CD GLU A 404 14.837 9.989 -0.803 1.00 0.36 C ATOM 1022 OE1 GLU A 404 16.007 9.578 -0.946 1.00 0.62 O1- ATOM 1023 OE2 GLU A 404 14.487 11.150 -1.099 1.00 0.45 O ATOM 0 HA GLU A 404 12.318 6.905 0.285 1.00 0.24 H new ATOM 0 HB2 GLU A 404 14.288 7.723 -1.836 1.00 0.27 H new ATOM 0 HB3 GLU A 404 12.651 8.345 -1.891 1.00 0.27 H new ATOM 0 HG2 GLU A 404 12.906 9.603 0.021 1.00 0.29 H new ATOM 0 HG3 GLU A 404 14.179 8.583 0.662 1.00 0.29 H new ATOM 1030 N SER A 405 10.850 6.486 -1.728 1.00 0.20 N ATOM 1031 CA SER A 405 9.878 6.052 -2.672 1.00 0.20 C ATOM 1032 C SER A 405 9.246 7.284 -3.323 1.00 0.18 C ATOM 1033 O SER A 405 8.414 7.971 -2.721 1.00 0.23 O ATOM 1034 CB SER A 405 8.855 5.216 -1.917 1.00 0.26 C ATOM 1035 OG SER A 405 7.525 5.580 -2.226 1.00 1.33 O ATOM 0 H SER A 405 10.520 7.242 -1.128 1.00 0.20 H new ATOM 0 HA SER A 405 10.313 5.445 -3.466 1.00 0.20 H new ATOM 0 HB2 SER A 405 9.005 4.163 -2.155 1.00 0.26 H new ATOM 0 HB3 SER A 405 9.019 5.327 -0.845 1.00 0.26 H new ATOM 0 HG SER A 405 7.374 5.480 -3.189 1.00 1.33 H new ATOM 1041 N PRO A 406 9.711 7.634 -4.524 1.00 0.18 N ATOM 1042 CA PRO A 406 9.105 8.683 -5.328 1.00 0.19 C ATOM 1043 C PRO A 406 7.744 8.243 -5.820 1.00 0.17 C ATOM 1044 O PRO A 406 7.609 7.509 -6.803 1.00 0.17 O ATOM 1045 CB PRO A 406 10.081 8.807 -6.493 1.00 0.20 C ATOM 1046 CG PRO A 406 10.676 7.470 -6.593 1.00 0.19 C ATOM 1047 CD PRO A 406 10.866 7.050 -5.183 1.00 0.18 C ATOM 0 HA PRO A 406 8.947 9.618 -4.790 1.00 0.19 H new ATOM 0 HB2 PRO A 406 9.571 9.088 -7.414 1.00 0.20 H new ATOM 0 HB3 PRO A 406 10.837 9.568 -6.302 1.00 0.20 H new ATOM 0 HG2 PRO A 406 10.022 6.782 -7.129 1.00 0.19 H new ATOM 0 HG3 PRO A 406 11.623 7.495 -7.132 1.00 0.19 H new ATOM 0 HD2 PRO A 406 10.886 5.965 -5.082 1.00 0.18 H new ATOM 0 HD3 PRO A 406 11.802 7.426 -4.770 1.00 0.18 H new ATOM 1055 N VAL A 407 6.751 8.738 -5.142 1.00 0.17 N ATOM 1056 CA VAL A 407 5.407 8.321 -5.323 1.00 0.17 C ATOM 1057 C VAL A 407 4.525 9.479 -5.742 1.00 0.19 C ATOM 1058 O VAL A 407 4.593 10.564 -5.203 1.00 0.30 O ATOM 1059 CB VAL A 407 4.989 7.731 -3.977 1.00 0.16 C ATOM 1060 CG1 VAL A 407 3.796 8.448 -3.377 1.00 0.15 C ATOM 1061 CG2 VAL A 407 4.823 6.231 -4.078 1.00 0.23 C ATOM 0 H VAL A 407 6.865 9.461 -4.432 1.00 0.17 H new ATOM 0 HA VAL A 407 5.307 7.587 -6.122 1.00 0.17 H new ATOM 0 HB VAL A 407 5.795 7.902 -3.263 1.00 0.16 H new ATOM 0 HG11 VAL A 407 3.539 7.990 -2.422 1.00 0.15 H new ATOM 0 HG12 VAL A 407 4.043 9.498 -3.222 1.00 0.15 H new ATOM 0 HG13 VAL A 407 2.947 8.372 -4.056 1.00 0.15 H new ATOM 0 HG21 VAL A 407 4.525 5.832 -3.108 1.00 0.23 H new ATOM 0 HG22 VAL A 407 4.056 5.999 -4.817 1.00 0.23 H new ATOM 0 HG23 VAL A 407 5.768 5.780 -4.381 1.00 0.23 H new ATOM 1071 N ASN A 408 3.721 9.223 -6.737 1.00 0.19 N ATOM 1072 CA ASN A 408 2.805 10.200 -7.273 1.00 0.21 C ATOM 1073 C ASN A 408 1.586 10.336 -6.379 1.00 0.19 C ATOM 1074 O ASN A 408 0.985 11.400 -6.273 1.00 0.26 O ATOM 1075 CB ASN A 408 2.432 9.801 -8.692 1.00 0.34 C ATOM 1076 CG ASN A 408 1.476 8.680 -8.815 1.00 1.01 C ATOM 1077 OD1 ASN A 408 0.648 8.642 -9.720 1.00 1.84 O ATOM 1078 ND2 ASN A 408 1.650 7.721 -7.990 1.00 1.01 N ATOM 0 H ASN A 408 3.681 8.319 -7.207 1.00 0.19 H new ATOM 0 HA ASN A 408 3.282 11.180 -7.305 1.00 0.21 H new ATOM 0 HB2 ASN A 408 2.009 10.671 -9.195 1.00 0.34 H new ATOM 0 HB3 ASN A 408 3.344 9.536 -9.226 1.00 0.34 H new ATOM 0 HD21 ASN A 408 1.087 6.874 -8.066 1.00 1.01 H new ATOM 0 HD22 ASN A 408 2.352 7.802 -7.255 1.00 1.01 H new ATOM 1085 N TYR A 409 1.255 9.244 -5.733 1.00 0.15 N ATOM 1086 CA TYR A 409 0.123 9.174 -4.818 1.00 0.15 C ATOM 1087 C TYR A 409 0.452 8.305 -3.623 1.00 0.14 C ATOM 1088 O TYR A 409 0.723 7.110 -3.755 1.00 0.15 O ATOM 1089 CB TYR A 409 -1.123 8.651 -5.512 1.00 0.19 C ATOM 1090 CG TYR A 409 -1.575 9.534 -6.642 1.00 0.23 C ATOM 1091 CD1 TYR A 409 -2.017 10.820 -6.394 1.00 0.38 C ATOM 1092 CD2 TYR A 409 -1.528 9.099 -7.951 1.00 0.31 C ATOM 1093 CE1 TYR A 409 -2.404 11.650 -7.416 1.00 0.44 C ATOM 1094 CE2 TYR A 409 -1.908 9.921 -8.988 1.00 0.34 C ATOM 1095 CZ TYR A 409 -2.348 11.200 -8.717 1.00 0.35 C ATOM 1096 OH TYR A 409 -2.719 12.030 -9.747 1.00 0.41 O ATOM 0 H TYR A 409 1.765 8.365 -5.823 1.00 0.15 H new ATOM 0 HA TYR A 409 -0.080 10.188 -4.474 1.00 0.15 H new ATOM 0 HB2 TYR A 409 -0.926 7.650 -5.896 1.00 0.19 H new ATOM 0 HB3 TYR A 409 -1.928 8.561 -4.783 1.00 0.19 H new ATOM 0 HD1 TYR A 409 -2.059 11.179 -5.376 1.00 0.38 H new ATOM 0 HD2 TYR A 409 -1.187 8.097 -8.165 1.00 0.31 H new ATOM 0 HE1 TYR A 409 -2.750 12.650 -7.202 1.00 0.44 H new ATOM 0 HE2 TYR A 409 -1.862 9.567 -10.007 1.00 0.34 H new ATOM 0 HH TYR A 409 -2.619 11.558 -10.600 1.00 0.41 H new ATOM 1106 N TRP A 410 0.424 8.936 -2.475 1.00 0.13 N ATOM 1107 CA TRP A 410 0.760 8.325 -1.203 1.00 0.11 C ATOM 1108 C TRP A 410 -0.390 8.453 -0.243 1.00 0.10 C ATOM 1109 O TRP A 410 -1.002 9.514 -0.112 1.00 0.12 O ATOM 1110 CB TRP A 410 1.980 9.025 -0.603 1.00 0.12 C ATOM 1111 CG TRP A 410 2.408 8.532 0.743 1.00 0.11 C ATOM 1112 CD1 TRP A 410 2.793 9.307 1.782 1.00 0.12 C ATOM 1113 CD2 TRP A 410 2.511 7.179 1.195 1.00 0.11 C ATOM 1114 NE1 TRP A 410 3.105 8.537 2.860 1.00 0.13 N ATOM 1115 CE2 TRP A 410 2.949 7.219 2.529 1.00 0.11 C ATOM 1116 CE3 TRP A 410 2.270 5.948 0.607 1.00 0.11 C ATOM 1117 CZ2 TRP A 410 3.152 6.060 3.281 1.00 0.12 C ATOM 1118 CZ3 TRP A 410 2.476 4.804 1.342 1.00 0.11 C ATOM 1119 CH2 TRP A 410 2.913 4.866 2.669 1.00 0.11 C ATOM 0 H TRP A 410 0.160 9.918 -2.393 1.00 0.13 H new ATOM 0 HA TRP A 410 0.977 7.270 -1.371 1.00 0.11 H new ATOM 0 HB2 TRP A 410 2.816 8.915 -1.294 1.00 0.12 H new ATOM 0 HB3 TRP A 410 1.766 10.091 -0.529 1.00 0.12 H new ATOM 0 HD1 TRP A 410 2.846 10.385 1.760 1.00 0.12 H new ATOM 0 HE1 TRP A 410 3.407 8.887 3.769 1.00 0.13 H new ATOM 0 HE3 TRP A 410 1.925 5.888 -0.415 1.00 0.11 H new ATOM 0 HZ2 TRP A 410 3.485 6.108 4.307 1.00 0.12 H new ATOM 0 HZ3 TRP A 410 2.297 3.841 0.887 1.00 0.11 H new ATOM 0 HH2 TRP A 410 3.064 3.949 3.220 1.00 0.11 H new ATOM 1130 N MET A 411 -0.670 7.378 0.434 1.00 0.09 N ATOM 1131 CA MET A 411 -1.661 7.392 1.463 1.00 0.10 C ATOM 1132 C MET A 411 -1.180 6.636 2.692 1.00 0.09 C ATOM 1133 O MET A 411 -1.421 5.437 2.826 1.00 0.10 O ATOM 1134 CB MET A 411 -2.921 6.786 0.917 1.00 0.12 C ATOM 1135 CG MET A 411 -3.960 7.814 0.533 1.00 0.14 C ATOM 1136 SD MET A 411 -4.832 7.338 -0.961 1.00 0.41 S ATOM 1137 CE MET A 411 -5.135 5.616 -0.596 1.00 0.13 C ATOM 0 H MET A 411 -0.220 6.474 0.288 1.00 0.09 H new ATOM 0 HA MET A 411 -1.853 8.419 1.774 1.00 0.10 H new ATOM 0 HB2 MET A 411 -2.677 6.182 0.043 1.00 0.12 H new ATOM 0 HB3 MET A 411 -3.344 6.112 1.662 1.00 0.12 H new ATOM 0 HG2 MET A 411 -4.673 7.935 1.349 1.00 0.14 H new ATOM 0 HG3 MET A 411 -3.479 8.781 0.383 1.00 0.14 H new ATOM 0 HE1 MET A 411 -5.460 5.104 -1.502 1.00 0.13 H new ATOM 0 HE2 MET A 411 -4.218 5.155 -0.228 1.00 0.13 H new ATOM 0 HE3 MET A 411 -5.912 5.536 0.165 1.00 0.13 H new ATOM 1147 N PRO A 412 -0.469 7.324 3.596 1.00 0.09 N ATOM 1148 CA PRO A 412 0.070 6.713 4.817 1.00 0.09 C ATOM 1149 C PRO A 412 -1.018 6.424 5.818 1.00 0.09 C ATOM 1150 O PRO A 412 -1.974 7.186 5.971 1.00 0.09 O ATOM 1151 CB PRO A 412 0.992 7.802 5.357 1.00 0.10 C ATOM 1152 CG PRO A 412 0.357 9.061 4.902 1.00 0.16 C ATOM 1153 CD PRO A 412 -0.135 8.762 3.516 1.00 0.11 C ATOM 0 HA PRO A 412 0.563 5.760 4.627 1.00 0.09 H new ATOM 0 HB2 PRO A 412 1.066 7.761 6.444 1.00 0.10 H new ATOM 0 HB3 PRO A 412 2.004 7.700 4.965 1.00 0.10 H new ATOM 0 HG2 PRO A 412 -0.463 9.351 5.559 1.00 0.16 H new ATOM 0 HG3 PRO A 412 1.070 9.885 4.900 1.00 0.16 H new ATOM 0 HD2 PRO A 412 -1.004 9.366 3.255 1.00 0.11 H new ATOM 0 HD3 PRO A 412 0.628 8.960 2.763 1.00 0.11 H new ATOM 1161 N ILE A 413 -0.872 5.286 6.467 1.00 0.09 N ATOM 1162 CA ILE A 413 -1.900 4.750 7.324 1.00 0.10 C ATOM 1163 C ILE A 413 -1.394 4.532 8.735 1.00 0.14 C ATOM 1164 O ILE A 413 -2.175 4.305 9.659 1.00 0.17 O ATOM 1165 CB ILE A 413 -2.413 3.443 6.747 1.00 0.09 C ATOM 1166 CG1 ILE A 413 -1.325 2.363 6.770 1.00 0.10 C ATOM 1167 CG2 ILE A 413 -2.873 3.715 5.342 1.00 0.09 C ATOM 1168 CD1 ILE A 413 -1.639 1.171 5.892 1.00 0.11 C ATOM 0 H ILE A 413 -0.033 4.708 6.412 1.00 0.09 H new ATOM 0 HA ILE A 413 -2.712 5.475 7.373 1.00 0.10 H new ATOM 0 HB ILE A 413 -3.240 3.067 7.349 1.00 0.09 H new ATOM 0 HG12 ILE A 413 -0.381 2.803 6.448 1.00 0.10 H new ATOM 0 HG13 ILE A 413 -1.184 2.022 7.796 1.00 0.10 H new ATOM 0 HG21 ILE A 413 -3.249 2.793 4.897 1.00 0.09 H new ATOM 0 HG22 ILE A 413 -3.668 4.461 5.357 1.00 0.09 H new ATOM 0 HG23 ILE A 413 -2.037 4.088 4.751 1.00 0.09 H new ATOM 0 HD11 ILE A 413 -0.827 0.447 5.957 1.00 0.11 H new ATOM 0 HD12 ILE A 413 -2.566 0.707 6.227 1.00 0.11 H new ATOM 0 HD13 ILE A 413 -1.750 1.500 4.859 1.00 0.11 H new ATOM 1180 N ASP A 414 -0.078 4.542 8.876 1.00 0.15 N ATOM 1181 CA ASP A 414 0.550 4.573 10.190 1.00 0.22 C ATOM 1182 C ASP A 414 1.688 5.576 10.186 1.00 0.21 C ATOM 1183 O ASP A 414 2.076 6.075 9.130 1.00 0.22 O ATOM 1184 CB ASP A 414 1.050 3.190 10.628 1.00 0.31 C ATOM 1185 CG ASP A 414 2.124 2.600 9.740 1.00 0.88 C ATOM 1186 OD1 ASP A 414 3.082 3.331 9.424 1.00 1.23 O1- ATOM 1187 OD2 ASP A 414 1.996 1.424 9.316 1.00 1.59 O ATOM 0 H ASP A 414 0.578 4.529 8.095 1.00 0.15 H new ATOM 0 HA ASP A 414 -0.205 4.879 10.915 1.00 0.22 H new ATOM 0 HB2 ASP A 414 1.436 3.263 11.645 1.00 0.31 H new ATOM 0 HB3 ASP A 414 0.203 2.504 10.657 1.00 0.31 H new ATOM 1192 N TRP A 415 2.220 5.859 11.361 1.00 0.24 N ATOM 1193 CA TRP A 415 3.257 6.867 11.508 1.00 0.25 C ATOM 1194 C TRP A 415 4.652 6.255 11.504 1.00 0.27 C ATOM 1195 O TRP A 415 5.618 6.920 11.886 1.00 0.31 O ATOM 1196 CB TRP A 415 3.032 7.723 12.757 1.00 0.28 C ATOM 1197 CG TRP A 415 1.971 8.765 12.566 1.00 0.28 C ATOM 1198 CD1 TRP A 415 2.169 10.095 12.334 1.00 0.30 C ATOM 1199 CD2 TRP A 415 0.553 8.566 12.572 1.00 0.27 C ATOM 1200 NE1 TRP A 415 0.962 10.735 12.202 1.00 0.30 N ATOM 1201 CE2 TRP A 415 -0.044 9.818 12.342 1.00 0.28 C ATOM 1202 CE3 TRP A 415 -0.271 7.453 12.749 1.00 0.27 C ATOM 1203 CZ2 TRP A 415 -1.423 9.983 12.284 1.00 0.28 C ATOM 1204 CZ3 TRP A 415 -1.640 7.627 12.688 1.00 0.27 C ATOM 1205 CH2 TRP A 415 -2.201 8.880 12.457 1.00 0.27 C ATOM 0 H TRP A 415 1.950 5.403 12.232 1.00 0.24 H new ATOM 0 HA TRP A 415 3.189 7.521 10.639 1.00 0.25 H new ATOM 0 HB2 TRP A 415 2.754 7.076 13.589 1.00 0.28 H new ATOM 0 HB3 TRP A 415 3.968 8.210 13.031 1.00 0.28 H new ATOM 0 HD1 TRP A 415 3.134 10.574 12.264 1.00 0.30 H new ATOM 0 HE1 TRP A 415 0.835 11.732 12.028 1.00 0.30 H new ATOM 0 HE3 TRP A 415 0.153 6.476 12.930 1.00 0.27 H new ATOM 0 HZ2 TRP A 415 -1.862 10.954 12.108 1.00 0.28 H new ATOM 0 HZ3 TRP A 415 -2.288 6.774 12.822 1.00 0.27 H new ATOM 0 HH2 TRP A 415 -3.276 8.979 12.414 1.00 0.27 H new ATOM 1216 N THR A 416 4.778 5.009 11.070 1.00 0.27 N ATOM 1217 CA THR A 416 6.097 4.415 10.941 1.00 0.32 C ATOM 1218 C THR A 416 6.533 4.553 9.507 1.00 0.30 C ATOM 1219 O THR A 416 7.720 4.662 9.193 1.00 0.35 O ATOM 1220 CB THR A 416 6.144 2.930 11.349 1.00 0.40 C ATOM 1221 OG1 THR A 416 5.071 2.190 10.750 1.00 0.41 O ATOM 1222 CG2 THR A 416 6.087 2.777 12.858 1.00 0.44 C ATOM 0 H THR A 416 4.001 4.403 10.807 1.00 0.27 H new ATOM 0 HA THR A 416 6.766 4.942 11.622 1.00 0.32 H new ATOM 0 HB THR A 416 7.090 2.527 10.987 1.00 0.40 H new ATOM 0 HG1 THR A 416 4.627 2.745 10.075 1.00 0.41 H new ATOM 0 HG21 THR A 416 6.122 1.719 13.118 1.00 0.44 H new ATOM 0 HG22 THR A 416 6.937 3.289 13.308 1.00 0.44 H new ATOM 0 HG23 THR A 416 5.161 3.213 13.233 1.00 0.44 H new ATOM 1230 N GLY A 417 5.536 4.602 8.647 1.00 0.24 N ATOM 1231 CA GLY A 417 5.778 4.871 7.266 1.00 0.24 C ATOM 1232 C GLY A 417 5.140 3.871 6.345 1.00 0.19 C ATOM 1233 O GLY A 417 5.627 3.638 5.239 1.00 0.20 O ATOM 0 H GLY A 417 4.556 4.458 8.891 1.00 0.24 H new ATOM 0 HA2 GLY A 417 5.404 5.866 7.026 1.00 0.24 H new ATOM 0 HA3 GLY A 417 6.853 4.884 7.088 1.00 0.24 H new ATOM 1237 N VAL A 418 4.056 3.267 6.794 1.00 0.15 N ATOM 1238 CA VAL A 418 3.314 2.364 5.950 1.00 0.11 C ATOM 1239 C VAL A 418 2.045 3.013 5.423 1.00 0.09 C ATOM 1240 O VAL A 418 1.476 3.910 6.051 1.00 0.09 O ATOM 1241 CB VAL A 418 2.992 1.041 6.675 1.00 0.14 C ATOM 1242 CG1 VAL A 418 2.031 0.176 5.876 1.00 0.14 C ATOM 1243 CG2 VAL A 418 4.273 0.287 6.918 1.00 0.17 C ATOM 0 H VAL A 418 3.676 3.387 7.733 1.00 0.15 H new ATOM 0 HA VAL A 418 3.951 2.128 5.097 1.00 0.11 H new ATOM 0 HB VAL A 418 2.508 1.282 7.621 1.00 0.14 H new ATOM 0 HG11 VAL A 418 1.831 -0.746 6.422 1.00 0.14 H new ATOM 0 HG12 VAL A 418 1.097 0.717 5.722 1.00 0.14 H new ATOM 0 HG13 VAL A 418 2.475 -0.064 4.910 1.00 0.14 H new ATOM 0 HG21 VAL A 418 4.052 -0.649 7.430 1.00 0.17 H new ATOM 0 HG22 VAL A 418 4.756 0.074 5.964 1.00 0.17 H new ATOM 0 HG23 VAL A 418 4.939 0.890 7.535 1.00 0.17 H new ATOM 1253 N GLY A 419 1.623 2.556 4.258 1.00 0.10 N ATOM 1254 CA GLY A 419 0.439 3.080 3.622 1.00 0.08 C ATOM 1255 C GLY A 419 0.261 2.512 2.238 1.00 0.08 C ATOM 1256 O GLY A 419 0.901 1.517 1.889 1.00 0.09 O ATOM 0 H GLY A 419 2.091 1.817 3.733 1.00 0.10 H new ATOM 0 HA2 GLY A 419 -0.436 2.845 4.228 1.00 0.08 H new ATOM 0 HA3 GLY A 419 0.505 4.167 3.565 1.00 0.08 H new ATOM 1260 N ILE A 420 -0.582 3.143 1.439 1.00 0.08 N ATOM 1261 CA ILE A 420 -0.786 2.718 0.082 1.00 0.09 C ATOM 1262 C ILE A 420 -0.058 3.670 -0.857 1.00 0.07 C ATOM 1263 O ILE A 420 -0.083 4.886 -0.655 1.00 0.08 O ATOM 1264 CB ILE A 420 -2.291 2.679 -0.251 1.00 0.10 C ATOM 1265 CG1 ILE A 420 -2.739 1.258 -0.553 1.00 0.11 C ATOM 1266 CG2 ILE A 420 -2.606 3.555 -1.428 1.00 0.12 C ATOM 1267 CD1 ILE A 420 -2.864 0.357 0.652 1.00 0.11 C ATOM 0 H ILE A 420 -1.134 3.954 1.717 1.00 0.08 H new ATOM 0 HA ILE A 420 -0.386 1.712 -0.044 1.00 0.09 H new ATOM 0 HB ILE A 420 -2.828 3.050 0.622 1.00 0.10 H new ATOM 0 HG12 ILE A 420 -3.703 1.297 -1.060 1.00 0.11 H new ATOM 0 HG13 ILE A 420 -2.031 0.811 -1.250 1.00 0.11 H new ATOM 0 HG21 ILE A 420 -3.674 3.508 -1.641 1.00 0.12 H new ATOM 0 HG22 ILE A 420 -2.326 4.584 -1.201 1.00 0.12 H new ATOM 0 HG23 ILE A 420 -2.047 3.210 -2.298 1.00 0.12 H new ATOM 0 HD11 ILE A 420 -3.189 -0.634 0.334 1.00 0.11 H new ATOM 0 HD12 ILE A 420 -1.898 0.279 1.150 1.00 0.11 H new ATOM 0 HD13 ILE A 420 -3.596 0.774 1.344 1.00 0.11 H new ATOM 1279 N HIS A 421 0.599 3.131 -1.867 1.00 0.07 N ATOM 1280 CA HIS A 421 1.307 3.968 -2.819 1.00 0.07 C ATOM 1281 C HIS A 421 1.406 3.304 -4.169 1.00 0.09 C ATOM 1282 O HIS A 421 1.118 2.127 -4.329 1.00 0.11 O ATOM 1283 CB HIS A 421 2.724 4.281 -2.359 1.00 0.09 C ATOM 1284 CG HIS A 421 3.628 3.104 -2.241 1.00 0.11 C ATOM 1285 ND1 HIS A 421 4.212 2.486 -3.320 1.00 0.12 N ATOM 1286 CD2 HIS A 421 4.117 2.500 -1.144 1.00 0.13 C ATOM 1287 CE1 HIS A 421 5.050 1.551 -2.850 1.00 0.15 C ATOM 1288 NE2 HIS A 421 5.025 1.518 -1.532 1.00 0.15 N ATOM 0 H HIS A 421 0.658 2.129 -2.049 1.00 0.07 H new ATOM 0 HA HIS A 421 0.729 4.889 -2.890 1.00 0.07 H new ATOM 0 HB2 HIS A 421 3.167 4.990 -3.058 1.00 0.09 H new ATOM 0 HB3 HIS A 421 2.673 4.778 -1.390 1.00 0.09 H new ATOM 0 HD2 HIS A 421 3.849 2.738 -0.125 1.00 0.13 H new ATOM 0 HE1 HIS A 421 5.663 0.911 -3.468 1.00 0.15 H new ATOM 0 HE2 HIS A 421 5.561 0.900 -0.922 1.00 0.15 H new ATOM 1296 N ASP A 422 1.848 4.099 -5.122 1.00 0.11 N ATOM 1297 CA ASP A 422 2.131 3.656 -6.450 1.00 0.14 C ATOM 1298 C ASP A 422 3.579 3.237 -6.522 1.00 0.19 C ATOM 1299 O ASP A 422 4.406 3.714 -5.750 1.00 0.29 O ATOM 1300 CB ASP A 422 1.912 4.811 -7.408 1.00 0.20 C ATOM 1301 CG ASP A 422 3.216 5.418 -7.923 1.00 0.31 C ATOM 1302 OD1 ASP A 422 3.783 6.293 -7.247 1.00 0.33 O1- ATOM 1303 OD2 ASP A 422 3.690 4.984 -9.000 1.00 0.42 O ATOM 0 H ASP A 422 2.021 5.094 -4.979 1.00 0.11 H new ATOM 0 HA ASP A 422 1.482 2.821 -6.713 1.00 0.14 H new ATOM 0 HB2 ASP A 422 1.320 4.465 -8.255 1.00 0.20 H new ATOM 0 HB3 ASP A 422 1.331 5.585 -6.907 1.00 0.20 H new ATOM 1308 N SER A 423 3.890 2.365 -7.433 1.00 0.15 N ATOM 1309 CA SER A 423 5.261 1.989 -7.636 1.00 0.19 C ATOM 1310 C SER A 423 5.538 1.846 -9.092 1.00 0.15 C ATOM 1311 O SER A 423 5.238 0.835 -9.728 1.00 0.16 O ATOM 1312 CB SER A 423 5.541 0.675 -6.919 1.00 0.26 C ATOM 1313 OG SER A 423 4.561 -0.287 -7.246 1.00 1.48 O ATOM 0 H SER A 423 3.219 1.901 -8.046 1.00 0.15 H new ATOM 0 HA SER A 423 5.911 2.764 -7.230 1.00 0.19 H new ATOM 0 HB2 SER A 423 6.528 0.306 -7.197 1.00 0.26 H new ATOM 0 HB3 SER A 423 5.553 0.838 -5.841 1.00 0.26 H new ATOM 0 HG SER A 423 4.981 -1.032 -7.726 1.00 1.48 H new ATOM 1319 N ASP A 424 6.134 2.891 -9.594 1.00 0.13 N ATOM 1320 CA ASP A 424 6.552 2.948 -10.964 1.00 0.13 C ATOM 1321 C ASP A 424 8.011 2.537 -11.091 1.00 0.12 C ATOM 1322 O ASP A 424 8.441 1.981 -12.098 1.00 0.15 O ATOM 1323 CB ASP A 424 6.278 4.337 -11.478 1.00 0.15 C ATOM 1324 CG ASP A 424 6.818 4.584 -12.872 1.00 0.25 C ATOM 1325 OD1 ASP A 424 6.192 4.118 -13.849 1.00 0.34 O ATOM 1326 OD2 ASP A 424 7.857 5.257 -13.000 1.00 0.35 O1- ATOM 0 H ASP A 424 6.344 3.733 -9.058 1.00 0.13 H new ATOM 0 HA ASP A 424 5.992 2.242 -11.577 1.00 0.13 H new ATOM 0 HB2 ASP A 424 5.202 4.510 -11.478 1.00 0.15 H new ATOM 0 HB3 ASP A 424 6.717 5.062 -10.793 1.00 0.15 H new ATOM 1331 N TRP A 425 8.766 2.840 -10.025 1.00 0.12 N ATOM 1332 CA TRP A 425 10.165 2.432 -9.899 1.00 0.14 C ATOM 1333 C TRP A 425 10.218 0.942 -9.690 1.00 0.15 C ATOM 1334 O TRP A 425 11.210 0.280 -9.977 1.00 0.18 O ATOM 1335 CB TRP A 425 10.805 3.126 -8.689 1.00 0.14 C ATOM 1336 CG TRP A 425 10.354 2.626 -7.359 1.00 0.12 C ATOM 1337 CD1 TRP A 425 10.801 1.545 -6.672 1.00 0.13 C ATOM 1338 CD2 TRP A 425 9.383 3.240 -6.548 1.00 0.12 C ATOM 1339 NE1 TRP A 425 10.144 1.447 -5.467 1.00 0.13 N ATOM 1340 CE2 TRP A 425 9.267 2.492 -5.369 1.00 0.12 C ATOM 1341 CE3 TRP A 425 8.602 4.362 -6.719 1.00 0.14 C ATOM 1342 CZ2 TRP A 425 8.386 2.845 -4.357 1.00 0.14 C ATOM 1343 CZ3 TRP A 425 7.738 4.721 -5.728 1.00 0.16 C ATOM 1344 CH2 TRP A 425 7.631 3.970 -4.554 1.00 0.15 C ATOM 0 H TRP A 425 8.420 3.375 -9.228 1.00 0.12 H new ATOM 0 HA TRP A 425 10.707 2.710 -10.803 1.00 0.14 H new ATOM 0 HB2 TRP A 425 11.887 3.011 -8.755 1.00 0.14 H new ATOM 0 HB3 TRP A 425 10.594 4.194 -8.749 1.00 0.14 H new ATOM 0 HD1 TRP A 425 11.561 0.861 -7.020 1.00 0.13 H new ATOM 0 HE1 TRP A 425 10.287 0.719 -4.767 1.00 0.13 H new ATOM 0 HE3 TRP A 425 8.673 4.948 -7.624 1.00 0.14 H new ATOM 0 HZ2 TRP A 425 8.300 2.259 -3.454 1.00 0.14 H new ATOM 0 HZ3 TRP A 425 7.125 5.602 -5.852 1.00 0.16 H new ATOM 0 HH2 TRP A 425 6.939 4.284 -3.787 1.00 0.15 H new ATOM 1355 N GLN A 426 9.135 0.454 -9.122 1.00 0.15 N ATOM 1356 CA GLN A 426 9.012 -0.927 -8.715 1.00 0.17 C ATOM 1357 C GLN A 426 7.882 -1.553 -9.456 1.00 0.18 C ATOM 1358 O GLN A 426 6.760 -1.680 -8.970 1.00 0.28 O ATOM 1359 CB GLN A 426 8.708 -0.970 -7.262 1.00 0.18 C ATOM 1360 CG GLN A 426 9.516 -1.970 -6.471 1.00 0.58 C ATOM 1361 CD GLN A 426 9.472 -3.336 -7.094 1.00 0.63 C ATOM 1362 OE1 GLN A 426 10.380 -3.717 -7.822 1.00 1.33 O ATOM 1363 NE2 GLN A 426 8.371 -4.043 -6.892 1.00 0.22 N ATOM 0 H GLN A 426 8.305 1.014 -8.928 1.00 0.15 H new ATOM 0 HA GLN A 426 9.939 -1.461 -8.925 1.00 0.17 H new ATOM 0 HB2 GLN A 426 8.874 0.022 -6.842 1.00 0.18 H new ATOM 0 HB3 GLN A 426 7.650 -1.198 -7.134 1.00 0.18 H new ATOM 0 HG2 GLN A 426 10.550 -1.633 -6.406 1.00 0.58 H new ATOM 0 HG3 GLN A 426 9.133 -2.022 -5.452 1.00 0.58 H new ATOM 0 HE21 GLN A 426 7.641 -3.685 -6.276 1.00 0.22 H new ATOM 0 HE22 GLN A 426 8.253 -4.946 -7.352 1.00 0.22 H new ATOM 1372 N PRO A 427 8.220 -1.955 -10.638 1.00 0.16 N ATOM 1373 CA PRO A 427 7.300 -2.199 -11.703 1.00 0.18 C ATOM 1374 C PRO A 427 6.589 -3.534 -11.629 1.00 0.16 C ATOM 1375 O PRO A 427 5.830 -3.882 -12.536 1.00 0.18 O ATOM 1376 CB PRO A 427 8.229 -2.151 -12.895 1.00 0.23 C ATOM 1377 CG PRO A 427 9.444 -2.777 -12.376 1.00 0.23 C ATOM 1378 CD PRO A 427 9.592 -2.167 -11.048 1.00 0.19 C ATOM 0 HA PRO A 427 6.474 -1.488 -11.709 1.00 0.18 H new ATOM 0 HB2 PRO A 427 7.824 -2.697 -13.747 1.00 0.23 H new ATOM 0 HB3 PRO A 427 8.410 -1.129 -13.228 1.00 0.23 H new ATOM 0 HG2 PRO A 427 9.344 -3.861 -12.313 1.00 0.23 H new ATOM 0 HG3 PRO A 427 10.306 -2.573 -13.012 1.00 0.23 H new ATOM 0 HD2 PRO A 427 10.123 -2.823 -10.359 1.00 0.19 H new ATOM 0 HD3 PRO A 427 10.150 -1.232 -11.092 1.00 0.19 H new ATOM 1386 N GLU A 428 6.836 -4.283 -10.567 1.00 0.14 N ATOM 1387 CA GLU A 428 6.228 -5.583 -10.422 1.00 0.14 C ATOM 1388 C GLU A 428 5.269 -5.598 -9.254 1.00 0.12 C ATOM 1389 O GLU A 428 5.396 -4.809 -8.326 1.00 0.15 O ATOM 1390 CB GLU A 428 7.277 -6.622 -10.165 1.00 0.17 C ATOM 1391 CG GLU A 428 6.888 -7.980 -10.661 1.00 0.22 C ATOM 1392 CD GLU A 428 7.172 -8.180 -12.133 1.00 0.64 C ATOM 1393 OE1 GLU A 428 8.341 -8.425 -12.491 1.00 0.98 O ATOM 1394 OE2 GLU A 428 6.229 -8.103 -12.942 1.00 1.10 O1- ATOM 0 H GLU A 428 7.450 -4.010 -9.800 1.00 0.14 H new ATOM 0 HA GLU A 428 5.694 -5.800 -11.347 1.00 0.14 H new ATOM 0 HB2 GLU A 428 8.207 -6.318 -10.645 1.00 0.17 H new ATOM 0 HB3 GLU A 428 7.474 -6.675 -9.094 1.00 0.17 H new ATOM 0 HG2 GLU A 428 7.424 -8.736 -10.088 1.00 0.22 H new ATOM 0 HG3 GLU A 428 5.825 -8.136 -10.478 1.00 0.22 H new ATOM 1401 N TYR A 429 4.343 -6.538 -9.323 1.00 0.11 N ATOM 1402 CA TYR A 429 3.200 -6.644 -8.419 1.00 0.10 C ATOM 1403 C TYR A 429 2.611 -8.027 -8.545 1.00 0.10 C ATOM 1404 O TYR A 429 2.317 -8.476 -9.652 1.00 0.14 O ATOM 1405 CB TYR A 429 2.089 -5.698 -8.818 1.00 0.13 C ATOM 1406 CG TYR A 429 2.500 -4.474 -9.589 1.00 0.16 C ATOM 1407 CD1 TYR A 429 2.860 -3.314 -8.929 1.00 0.19 C ATOM 1408 CD2 TYR A 429 2.522 -4.483 -10.972 1.00 0.23 C ATOM 1409 CE1 TYR A 429 3.239 -2.188 -9.630 1.00 0.25 C ATOM 1410 CE2 TYR A 429 2.899 -3.366 -11.683 1.00 0.29 C ATOM 1411 CZ TYR A 429 3.257 -2.220 -11.008 1.00 0.30 C ATOM 1412 OH TYR A 429 3.636 -1.103 -11.716 1.00 0.38 O ATOM 0 H TYR A 429 4.362 -7.273 -10.030 1.00 0.11 H new ATOM 0 HA TYR A 429 3.556 -6.416 -7.414 1.00 0.10 H new ATOM 0 HB2 TYR A 429 1.366 -6.252 -9.417 1.00 0.13 H new ATOM 0 HB3 TYR A 429 1.573 -5.375 -7.914 1.00 0.13 H new ATOM 0 HD1 TYR A 429 2.844 -3.289 -7.849 1.00 0.19 H new ATOM 0 HD2 TYR A 429 2.239 -5.380 -11.502 1.00 0.23 H new ATOM 0 HE1 TYR A 429 3.520 -1.288 -9.103 1.00 0.25 H new ATOM 0 HE2 TYR A 429 2.914 -3.388 -12.763 1.00 0.29 H new ATOM 0 HH TYR A 429 4.255 -0.568 -11.176 1.00 0.38 H new ATOM 1422 N GLY A 430 2.475 -8.720 -7.448 1.00 0.10 N ATOM 1423 CA GLY A 430 1.875 -10.025 -7.507 1.00 0.12 C ATOM 1424 C GLY A 430 2.442 -10.956 -6.475 1.00 0.13 C ATOM 1425 O GLY A 430 3.203 -10.515 -5.613 1.00 0.13 O ATOM 0 H GLY A 430 2.765 -8.412 -6.520 1.00 0.10 H new ATOM 0 HA2 GLY A 430 0.799 -9.935 -7.361 1.00 0.12 H new ATOM 0 HA3 GLY A 430 2.028 -10.449 -8.500 1.00 0.12 H new ATOM 1429 N GLY A 431 2.114 -12.248 -6.623 1.00 0.16 N ATOM 1430 CA GLY A 431 2.684 -13.313 -5.800 1.00 0.20 C ATOM 1431 C GLY A 431 4.104 -13.028 -5.377 1.00 0.17 C ATOM 1432 O GLY A 431 4.850 -12.397 -6.128 1.00 0.16 O ATOM 0 H GLY A 431 1.445 -12.579 -7.318 1.00 0.16 H new ATOM 0 HA2 GLY A 431 2.066 -13.451 -4.913 1.00 0.20 H new ATOM 0 HA3 GLY A 431 2.656 -14.250 -6.356 1.00 0.20 H new ATOM 1436 N ASP A 432 4.536 -13.623 -4.273 1.00 0.18 N ATOM 1437 CA ASP A 432 5.484 -12.963 -3.389 1.00 0.18 C ATOM 1438 C ASP A 432 6.721 -12.536 -4.105 1.00 0.18 C ATOM 1439 O ASP A 432 7.648 -13.292 -4.387 1.00 0.19 O ATOM 1440 CB ASP A 432 5.881 -13.893 -2.256 1.00 0.22 C ATOM 1441 CG ASP A 432 4.702 -14.612 -1.639 1.00 0.25 C ATOM 1442 OD1 ASP A 432 4.218 -15.598 -2.235 1.00 0.29 O ATOM 1443 OD2 ASP A 432 4.257 -14.193 -0.556 1.00 0.33 O1- ATOM 0 H ASP A 432 4.247 -14.554 -3.971 1.00 0.18 H new ATOM 0 HA ASP A 432 4.985 -12.076 -3.000 1.00 0.18 H new ATOM 0 HB2 ASP A 432 6.593 -14.629 -2.630 1.00 0.22 H new ATOM 0 HB3 ASP A 432 6.393 -13.318 -1.484 1.00 0.22 H new ATOM 1448 N LEU A 433 6.664 -11.264 -4.375 1.00 0.16 N ATOM 1449 CA LEU A 433 7.708 -10.507 -4.969 1.00 0.15 C ATOM 1450 C LEU A 433 8.473 -9.792 -3.897 1.00 0.14 C ATOM 1451 O LEU A 433 9.673 -9.588 -3.986 1.00 0.15 O ATOM 1452 CB LEU A 433 7.042 -9.555 -5.917 1.00 0.14 C ATOM 1453 CG LEU A 433 6.618 -10.210 -7.215 1.00 0.15 C ATOM 1454 CD1 LEU A 433 5.667 -9.314 -7.962 1.00 0.13 C ATOM 1455 CD2 LEU A 433 7.842 -10.546 -8.050 1.00 0.18 C ATOM 0 H LEU A 433 5.837 -10.703 -4.172 1.00 0.16 H new ATOM 0 HA LEU A 433 8.425 -11.127 -5.507 1.00 0.15 H new ATOM 0 HB2 LEU A 433 6.167 -9.122 -5.433 1.00 0.14 H new ATOM 0 HB3 LEU A 433 7.724 -8.734 -6.137 1.00 0.14 H new ATOM 0 HG LEU A 433 6.094 -11.141 -6.997 1.00 0.15 H new ATOM 0 HD11 LEU A 433 5.369 -9.795 -8.893 1.00 0.13 H new ATOM 0 HD12 LEU A 433 4.784 -9.130 -7.350 1.00 0.13 H new ATOM 0 HD13 LEU A 433 6.158 -8.367 -8.184 1.00 0.13 H new ATOM 0 HD21 LEU A 433 7.529 -11.017 -8.982 1.00 0.18 H new ATOM 0 HD22 LEU A 433 8.393 -9.632 -8.272 1.00 0.18 H new ATOM 0 HD23 LEU A 433 8.484 -11.231 -7.496 1.00 0.18 H new ATOM 1467 N TRP A 434 7.713 -9.418 -2.871 1.00 0.14 N ATOM 1468 CA TRP A 434 8.198 -8.604 -1.775 1.00 0.14 C ATOM 1469 C TRP A 434 9.521 -9.095 -1.244 1.00 0.17 C ATOM 1470 O TRP A 434 10.370 -8.304 -0.861 1.00 0.22 O ATOM 1471 CB TRP A 434 7.153 -8.516 -0.658 1.00 0.15 C ATOM 1472 CG TRP A 434 6.559 -9.825 -0.222 1.00 0.16 C ATOM 1473 CD1 TRP A 434 5.682 -10.600 -0.920 1.00 0.17 C ATOM 1474 CD2 TRP A 434 6.751 -10.482 1.035 1.00 0.16 C ATOM 1475 NE1 TRP A 434 5.344 -11.709 -0.182 1.00 0.18 N ATOM 1476 CE2 TRP A 434 5.994 -11.658 1.019 1.00 0.18 C ATOM 1477 CE3 TRP A 434 7.502 -10.195 2.166 1.00 0.17 C ATOM 1478 CZ2 TRP A 434 5.968 -12.540 2.096 1.00 0.19 C ATOM 1479 CZ3 TRP A 434 7.477 -11.063 3.238 1.00 0.19 C ATOM 1480 CH2 TRP A 434 6.717 -12.225 3.195 1.00 0.19 C ATOM 0 H TRP A 434 6.731 -9.679 -2.782 1.00 0.14 H new ATOM 0 HA TRP A 434 8.366 -7.601 -2.167 1.00 0.14 H new ATOM 0 HB2 TRP A 434 7.612 -8.039 0.208 1.00 0.15 H new ATOM 0 HB3 TRP A 434 6.346 -7.864 -0.991 1.00 0.15 H new ATOM 0 HD1 TRP A 434 5.308 -10.376 -1.908 1.00 0.17 H new ATOM 0 HE1 TRP A 434 4.711 -12.450 -0.482 1.00 0.18 H new ATOM 0 HE3 TRP A 434 8.102 -9.298 2.207 1.00 0.17 H new ATOM 0 HZ2 TRP A 434 5.376 -13.443 2.064 1.00 0.19 H new ATOM 0 HZ3 TRP A 434 8.055 -10.836 4.121 1.00 0.19 H new ATOM 0 HH2 TRP A 434 6.718 -12.891 4.045 1.00 0.19 H new ATOM 1491 N LYS A 435 9.690 -10.413 -1.269 1.00 0.17 N ATOM 1492 CA LYS A 435 10.867 -11.053 -0.747 1.00 0.19 C ATOM 1493 C LYS A 435 12.124 -10.648 -1.458 1.00 0.20 C ATOM 1494 O LYS A 435 13.215 -10.765 -0.913 1.00 0.22 O ATOM 1495 CB LYS A 435 10.694 -12.520 -0.860 1.00 0.20 C ATOM 1496 CG LYS A 435 9.680 -12.980 0.105 1.00 0.22 C ATOM 1497 CD LYS A 435 9.643 -14.453 0.142 1.00 0.26 C ATOM 1498 CE LYS A 435 8.548 -14.876 1.048 1.00 0.35 C ATOM 1499 NZ LYS A 435 7.866 -16.117 0.600 1.00 0.64 N1+ ATOM 0 H LYS A 435 9.004 -11.061 -1.657 1.00 0.17 H new ATOM 0 HA LYS A 435 10.978 -10.740 0.291 1.00 0.19 H new ATOM 0 HB2 LYS A 435 10.390 -12.782 -1.873 1.00 0.20 H new ATOM 0 HB3 LYS A 435 11.643 -13.023 -0.672 1.00 0.20 H new ATOM 0 HG2 LYS A 435 9.908 -12.590 1.097 1.00 0.22 H new ATOM 0 HG3 LYS A 435 8.700 -12.591 -0.173 1.00 0.22 H new ATOM 0 HD2 LYS A 435 9.481 -14.853 -0.859 1.00 0.26 H new ATOM 0 HD3 LYS A 435 10.597 -14.847 0.492 1.00 0.26 H new ATOM 0 HE2 LYS A 435 8.952 -15.032 2.048 1.00 0.35 H new ATOM 0 HE3 LYS A 435 7.815 -14.073 1.122 1.00 0.35 H new ATOM 0 HZ1 LYS A 435 7.112 -16.361 1.273 1.00 0.64 H new ATOM 0 HZ2 LYS A 435 7.453 -15.965 -0.342 1.00 0.64 H new ATOM 0 HZ3 LYS A 435 8.555 -16.895 0.555 1.00 0.64 H new ATOM 1513 N THR A 436 11.969 -10.207 -2.676 1.00 0.19 N ATOM 1514 CA THR A 436 13.099 -9.814 -3.466 1.00 0.21 C ATOM 1515 C THR A 436 13.027 -8.328 -3.777 1.00 0.19 C ATOM 1516 O THR A 436 14.034 -7.616 -3.774 1.00 0.23 O ATOM 1517 CB THR A 436 13.126 -10.620 -4.772 1.00 0.22 C ATOM 1518 OG1 THR A 436 11.994 -10.284 -5.583 1.00 0.21 O ATOM 1519 CG2 THR A 436 13.082 -12.098 -4.454 1.00 0.25 C ATOM 0 H THR A 436 11.067 -10.111 -3.143 1.00 0.19 H new ATOM 0 HA THR A 436 14.011 -10.013 -2.903 1.00 0.21 H new ATOM 0 HB THR A 436 14.042 -10.382 -5.313 1.00 0.22 H new ATOM 0 HG1 THR A 436 11.217 -10.120 -5.009 1.00 0.21 H new ATOM 0 HG21 THR A 436 13.101 -12.670 -5.381 1.00 0.25 H new ATOM 0 HG22 THR A 436 13.946 -12.365 -3.845 1.00 0.25 H new ATOM 0 HG23 THR A 436 12.167 -12.325 -3.906 1.00 0.25 H new ATOM 1527 N ARG A 437 11.802 -7.871 -3.995 1.00 0.16 N ATOM 1528 CA ARG A 437 11.551 -6.539 -4.518 1.00 0.15 C ATOM 1529 C ARG A 437 11.605 -5.461 -3.447 1.00 0.17 C ATOM 1530 O ARG A 437 11.707 -4.270 -3.748 1.00 0.20 O ATOM 1531 CB ARG A 437 10.206 -6.547 -5.189 1.00 0.14 C ATOM 1532 CG ARG A 437 10.068 -7.648 -6.190 1.00 0.15 C ATOM 1533 CD ARG A 437 9.330 -7.188 -7.422 1.00 0.17 C ATOM 1534 NE ARG A 437 10.126 -6.251 -8.206 1.00 0.23 N ATOM 1535 CZ ARG A 437 10.587 -6.486 -9.438 1.00 0.30 C ATOM 1536 NH1 ARG A 437 10.379 -7.657 -10.028 1.00 0.34 N1+ ATOM 1537 NH2 ARG A 437 11.278 -5.547 -10.070 1.00 0.36 N ATOM 0 H ARG A 437 10.957 -8.413 -3.814 1.00 0.16 H new ATOM 0 HA ARG A 437 12.340 -6.294 -5.229 1.00 0.15 H new ATOM 0 HB2 ARG A 437 9.428 -6.649 -4.433 1.00 0.14 H new ATOM 0 HB3 ARG A 437 10.046 -5.589 -5.684 1.00 0.14 H new ATOM 0 HG2 ARG A 437 11.057 -8.011 -6.471 1.00 0.15 H new ATOM 0 HG3 ARG A 437 9.537 -8.486 -5.739 1.00 0.15 H new ATOM 0 HD2 ARG A 437 9.073 -8.051 -8.036 1.00 0.17 H new ATOM 0 HD3 ARG A 437 8.393 -6.714 -7.130 1.00 0.17 H new ATOM 0 HE ARG A 437 10.347 -5.350 -7.783 1.00 0.23 H new ATOM 0 HH11 ARG A 437 9.862 -8.389 -9.541 1.00 0.34 H new ATOM 0 HH12 ARG A 437 10.736 -7.825 -10.969 1.00 0.34 H new ATOM 0 HH21 ARG A 437 11.455 -4.651 -9.616 1.00 0.36 H new ATOM 0 HH22 ARG A 437 11.632 -5.721 -11.011 1.00 0.36 H new ATOM 1551 N GLY A 438 11.547 -5.893 -2.207 1.00 0.16 N ATOM 1552 CA GLY A 438 12.036 -5.067 -1.113 1.00 0.17 C ATOM 1553 C GLY A 438 11.148 -3.901 -0.697 1.00 0.17 C ATOM 1554 O GLY A 438 11.654 -2.807 -0.454 1.00 0.21 O ATOM 0 H GLY A 438 11.172 -6.799 -1.927 1.00 0.16 H new ATOM 0 HA2 GLY A 438 12.190 -5.707 -0.244 1.00 0.17 H new ATOM 0 HA3 GLY A 438 13.012 -4.671 -1.394 1.00 0.17 H new ATOM 1558 N SER A 439 9.844 -4.107 -0.607 1.00 0.15 N ATOM 1559 CA SER A 439 8.949 -3.067 -0.099 1.00 0.16 C ATOM 1560 C SER A 439 8.899 -3.151 1.430 1.00 0.14 C ATOM 1561 O SER A 439 8.697 -4.211 1.973 1.00 0.20 O ATOM 1562 CB SER A 439 7.559 -3.296 -0.669 1.00 0.22 C ATOM 1563 OG SER A 439 7.613 -3.467 -2.071 1.00 0.47 O ATOM 0 H SER A 439 9.380 -4.975 -0.875 1.00 0.15 H new ATOM 0 HA SER A 439 9.310 -2.082 -0.395 1.00 0.16 H new ATOM 0 HB2 SER A 439 7.113 -4.177 -0.208 1.00 0.22 H new ATOM 0 HB3 SER A 439 6.917 -2.449 -0.426 1.00 0.22 H new ATOM 0 HG SER A 439 6.706 -3.591 -2.421 1.00 0.47 H new ATOM 1569 N HIS A 440 9.062 -2.042 2.126 1.00 0.14 N ATOM 1570 CA HIS A 440 9.263 -2.078 3.578 1.00 0.16 C ATOM 1571 C HIS A 440 7.987 -1.722 4.309 1.00 0.16 C ATOM 1572 O HIS A 440 7.866 -0.638 4.876 1.00 0.21 O ATOM 1573 CB HIS A 440 10.370 -1.113 4.008 1.00 0.22 C ATOM 1574 CG HIS A 440 11.693 -1.391 3.402 1.00 0.26 C ATOM 1575 ND1 HIS A 440 11.985 -1.098 2.099 1.00 0.33 N ATOM 1576 CD2 HIS A 440 12.822 -1.914 3.934 1.00 0.30 C ATOM 1577 CE1 HIS A 440 13.225 -1.428 1.848 1.00 0.41 C ATOM 1578 NE2 HIS A 440 13.761 -1.925 2.941 1.00 0.38 N ATOM 0 H HIS A 440 9.061 -1.106 1.721 1.00 0.14 H new ATOM 0 HA HIS A 440 9.557 -3.095 3.836 1.00 0.16 H new ATOM 0 HB2 HIS A 440 10.071 -0.097 3.748 1.00 0.22 H new ATOM 0 HB3 HIS A 440 10.466 -1.150 5.093 1.00 0.22 H new ATOM 0 HD2 HIS A 440 12.956 -2.257 4.949 1.00 0.30 H new ATOM 0 HE1 HIS A 440 13.727 -1.311 0.899 1.00 0.41 H new ATOM 0 HE2 HIS A 440 14.719 -2.263 3.033 1.00 0.38 H new ATOM 1587 N GLY A 441 7.032 -2.637 4.272 1.00 0.15 N ATOM 1588 CA GLY A 441 5.757 -2.407 4.908 1.00 0.16 C ATOM 1589 C GLY A 441 4.838 -1.669 3.977 1.00 0.15 C ATOM 1590 O GLY A 441 3.637 -1.602 4.185 1.00 0.18 O ATOM 0 H GLY A 441 7.120 -3.541 3.808 1.00 0.15 H new ATOM 0 HA2 GLY A 441 5.309 -3.358 5.195 1.00 0.16 H new ATOM 0 HA3 GLY A 441 5.898 -1.832 5.823 1.00 0.16 H new ATOM 1594 N CYS A 442 5.419 -1.140 2.926 1.00 0.14 N ATOM 1595 CA CYS A 442 4.682 -0.368 1.961 1.00 0.16 C ATOM 1596 C CYS A 442 4.117 -1.276 0.884 1.00 0.18 C ATOM 1597 O CYS A 442 4.698 -2.317 0.570 1.00 0.28 O ATOM 1598 CB CYS A 442 5.584 0.699 1.359 1.00 0.20 C ATOM 1599 SG CYS A 442 7.027 0.038 0.492 1.00 0.83 S ATOM 0 H CYS A 442 6.413 -1.234 2.719 1.00 0.14 H new ATOM 0 HA CYS A 442 3.846 0.126 2.457 1.00 0.16 H new ATOM 0 HB2 CYS A 442 5.001 1.304 0.664 1.00 0.20 H new ATOM 0 HB3 CYS A 442 5.923 1.364 2.153 1.00 0.20 H new ATOM 0 HG CYS A 442 7.732 1.019 0.013 1.00 0.83 H new ATOM 1605 N ILE A 443 2.970 -0.902 0.353 1.00 0.13 N ATOM 1606 CA ILE A 443 2.304 -1.680 -0.662 1.00 0.12 C ATOM 1607 C ILE A 443 2.494 -1.042 -2.025 1.00 0.12 C ATOM 1608 O ILE A 443 2.102 0.103 -2.251 1.00 0.15 O ATOM 1609 CB ILE A 443 0.804 -1.829 -0.338 1.00 0.11 C ATOM 1610 CG1 ILE A 443 0.606 -2.859 0.783 1.00 0.10 C ATOM 1611 CG2 ILE A 443 0.023 -2.231 -1.585 1.00 0.10 C ATOM 1612 CD1 ILE A 443 1.347 -2.577 2.069 1.00 0.10 C ATOM 0 H ILE A 443 2.476 -0.049 0.616 1.00 0.13 H new ATOM 0 HA ILE A 443 2.749 -2.675 -0.680 1.00 0.12 H new ATOM 0 HB ILE A 443 0.423 -0.867 0.004 1.00 0.11 H new ATOM 0 HG12 ILE A 443 -0.459 -2.926 1.006 1.00 0.10 H new ATOM 0 HG13 ILE A 443 0.917 -3.836 0.413 1.00 0.10 H new ATOM 0 HG21 ILE A 443 -1.033 -2.331 -1.336 1.00 0.10 H new ATOM 0 HG22 ILE A 443 0.144 -1.466 -2.352 1.00 0.10 H new ATOM 0 HG23 ILE A 443 0.400 -3.183 -1.959 1.00 0.10 H new ATOM 0 HD11 ILE A 443 1.136 -3.366 2.791 1.00 0.10 H new ATOM 0 HD12 ILE A 443 2.418 -2.543 1.872 1.00 0.10 H new ATOM 0 HD13 ILE A 443 1.022 -1.619 2.474 1.00 0.10 H new ATOM 1624 N ASN A 444 3.125 -1.781 -2.917 1.00 0.14 N ATOM 1625 CA ASN A 444 3.439 -1.264 -4.236 1.00 0.16 C ATOM 1626 C ASN A 444 2.275 -1.443 -5.201 1.00 0.11 C ATOM 1627 O ASN A 444 2.166 -2.467 -5.876 1.00 0.12 O ATOM 1628 CB ASN A 444 4.711 -1.911 -4.801 1.00 0.30 C ATOM 1629 CG ASN A 444 5.938 -1.629 -3.954 1.00 0.88 C ATOM 1630 OD1 ASN A 444 5.863 -1.498 -2.736 1.00 1.56 O ATOM 1631 ND2 ASN A 444 7.083 -1.519 -4.595 1.00 1.77 N ATOM 0 H ASN A 444 3.430 -2.740 -2.753 1.00 0.14 H new ATOM 0 HA ASN A 444 3.621 -0.195 -4.125 1.00 0.16 H new ATOM 0 HB2 ASN A 444 4.564 -2.989 -4.873 1.00 0.30 H new ATOM 0 HB3 ASN A 444 4.881 -1.544 -5.813 1.00 0.30 H new ATOM 0 HD21 ASN A 444 7.940 -1.320 -4.078 1.00 1.77 H new ATOM 0 HD22 ASN A 444 7.113 -1.633 -5.608 1.00 1.77 H new ATOM 1638 N THR A 445 1.410 -0.445 -5.249 1.00 0.11 N ATOM 1639 CA THR A 445 0.293 -0.414 -6.168 1.00 0.10 C ATOM 1640 C THR A 445 0.731 0.188 -7.483 1.00 0.11 C ATOM 1641 O THR A 445 1.507 1.134 -7.526 1.00 0.14 O ATOM 1642 CB THR A 445 -0.853 0.402 -5.540 1.00 0.11 C ATOM 1643 OG1 THR A 445 -1.268 -0.236 -4.332 1.00 0.18 O ATOM 1644 CG2 THR A 445 -2.034 0.546 -6.479 1.00 0.14 C ATOM 0 H THR A 445 1.467 0.374 -4.643 1.00 0.11 H new ATOM 0 HA THR A 445 -0.062 -1.426 -6.361 1.00 0.10 H new ATOM 0 HB THR A 445 -0.482 1.406 -5.334 1.00 0.11 H new ATOM 0 HG1 THR A 445 -2.197 0.007 -4.136 1.00 0.18 H new ATOM 0 HG21 THR A 445 -2.817 1.128 -5.993 1.00 0.14 H new ATOM 0 HG22 THR A 445 -1.715 1.055 -7.389 1.00 0.14 H new ATOM 0 HG23 THR A 445 -2.420 -0.441 -6.732 1.00 0.14 H new ATOM 1652 N PRO A 446 0.271 -0.397 -8.580 1.00 0.09 N ATOM 1653 CA PRO A 446 0.588 0.077 -9.910 1.00 0.08 C ATOM 1654 C PRO A 446 0.240 1.538 -10.062 1.00 0.09 C ATOM 1655 O PRO A 446 -0.822 1.971 -9.638 1.00 0.12 O ATOM 1656 CB PRO A 446 -0.280 -0.773 -10.810 1.00 0.09 C ATOM 1657 CG PRO A 446 -0.520 -2.008 -10.019 1.00 0.10 C ATOM 1658 CD PRO A 446 -0.603 -1.567 -8.605 1.00 0.09 C ATOM 0 HA PRO A 446 1.650 -0.004 -10.141 1.00 0.08 H new ATOM 0 HB2 PRO A 446 -1.215 -0.268 -11.055 1.00 0.09 H new ATOM 0 HB3 PRO A 446 0.220 -0.994 -11.753 1.00 0.09 H new ATOM 0 HG2 PRO A 446 -1.441 -2.500 -10.331 1.00 0.10 H new ATOM 0 HG3 PRO A 446 0.288 -2.726 -10.159 1.00 0.10 H new ATOM 0 HD2 PRO A 446 -1.624 -1.315 -8.319 1.00 0.09 H new ATOM 0 HD3 PRO A 446 -0.261 -2.342 -7.919 1.00 0.09 H new ATOM 1666 N PRO A 447 1.127 2.302 -10.685 1.00 0.09 N ATOM 1667 CA PRO A 447 1.022 3.765 -10.790 1.00 0.09 C ATOM 1668 C PRO A 447 -0.276 4.209 -11.401 1.00 0.09 C ATOM 1669 O PRO A 447 -0.827 5.256 -11.063 1.00 0.16 O ATOM 1670 CB PRO A 447 2.173 4.078 -11.728 1.00 0.10 C ATOM 1671 CG PRO A 447 3.162 3.054 -11.347 1.00 0.10 C ATOM 1672 CD PRO A 447 2.330 1.819 -11.373 1.00 0.09 C ATOM 0 HA PRO A 447 1.057 4.265 -9.822 1.00 0.09 H new ATOM 0 HB2 PRO A 447 1.881 3.995 -12.775 1.00 0.10 H new ATOM 0 HB3 PRO A 447 2.555 5.089 -11.583 1.00 0.10 H new ATOM 0 HG2 PRO A 447 3.993 3.004 -12.050 1.00 0.10 H new ATOM 0 HG3 PRO A 447 3.589 3.241 -10.362 1.00 0.10 H new ATOM 0 HD2 PRO A 447 2.121 1.480 -12.388 1.00 0.09 H new ATOM 0 HD3 PRO A 447 2.803 0.988 -10.850 1.00 0.09 H new ATOM 1680 N SER A 448 -0.763 3.383 -12.284 1.00 0.08 N ATOM 1681 CA SER A 448 -1.965 3.680 -12.994 1.00 0.09 C ATOM 1682 C SER A 448 -3.169 3.352 -12.121 1.00 0.09 C ATOM 1683 O SER A 448 -4.151 4.092 -12.087 1.00 0.11 O ATOM 1684 CB SER A 448 -2.006 2.889 -14.289 1.00 0.11 C ATOM 1685 OG SER A 448 -1.701 1.524 -14.053 1.00 1.17 O ATOM 0 H SER A 448 -0.336 2.489 -12.528 1.00 0.08 H new ATOM 0 HA SER A 448 -1.993 4.742 -13.239 1.00 0.09 H new ATOM 0 HB2 SER A 448 -2.994 2.973 -14.741 1.00 0.11 H new ATOM 0 HB3 SER A 448 -1.294 3.308 -15.000 1.00 0.11 H new ATOM 0 HG SER A 448 -1.734 1.030 -14.899 1.00 1.17 H new ATOM 1691 N VAL A 449 -3.062 2.251 -11.389 1.00 0.08 N ATOM 1692 CA VAL A 449 -4.122 1.806 -10.506 1.00 0.09 C ATOM 1693 C VAL A 449 -4.151 2.624 -9.214 1.00 0.10 C ATOM 1694 O VAL A 449 -5.206 2.836 -8.619 1.00 0.11 O ATOM 1695 CB VAL A 449 -3.941 0.324 -10.160 1.00 0.11 C ATOM 1696 CG1 VAL A 449 -4.987 -0.113 -9.149 1.00 0.17 C ATOM 1697 CG2 VAL A 449 -4.011 -0.538 -11.410 1.00 0.10 C ATOM 0 H VAL A 449 -2.240 1.646 -11.393 1.00 0.08 H new ATOM 0 HA VAL A 449 -5.067 1.948 -11.031 1.00 0.09 H new ATOM 0 HB VAL A 449 -2.954 0.194 -9.717 1.00 0.11 H new ATOM 0 HG11 VAL A 449 -4.846 -1.168 -8.913 1.00 0.17 H new ATOM 0 HG12 VAL A 449 -4.884 0.479 -8.240 1.00 0.17 H new ATOM 0 HG13 VAL A 449 -5.982 0.035 -9.568 1.00 0.17 H new ATOM 0 HG21 VAL A 449 -3.880 -1.585 -11.138 1.00 0.10 H new ATOM 0 HG22 VAL A 449 -4.981 -0.406 -11.889 1.00 0.10 H new ATOM 0 HG23 VAL A 449 -3.222 -0.241 -12.101 1.00 0.10 H new ATOM 1707 N MET A 450 -2.992 3.090 -8.782 1.00 0.10 N ATOM 1708 CA MET A 450 -2.880 3.881 -7.587 1.00 0.11 C ATOM 1709 C MET A 450 -3.649 5.190 -7.738 1.00 0.10 C ATOM 1710 O MET A 450 -4.056 5.803 -6.773 1.00 0.14 O ATOM 1711 CB MET A 450 -1.400 4.113 -7.363 1.00 0.13 C ATOM 1712 CG MET A 450 -1.095 4.723 -6.044 1.00 0.13 C ATOM 1713 SD MET A 450 -2.161 4.105 -4.747 1.00 0.46 S ATOM 1714 CE MET A 450 -2.278 5.585 -3.767 1.00 0.10 C ATOM 0 H MET A 450 -2.105 2.925 -9.257 1.00 0.10 H new ATOM 0 HA MET A 450 -3.315 3.374 -6.726 1.00 0.11 H new ATOM 0 HB2 MET A 450 -0.873 3.162 -7.447 1.00 0.13 H new ATOM 0 HB3 MET A 450 -1.017 4.760 -8.152 1.00 0.13 H new ATOM 0 HG2 MET A 450 -0.056 4.521 -5.784 1.00 0.13 H new ATOM 0 HG3 MET A 450 -1.201 5.806 -6.114 1.00 0.13 H new ATOM 0 HE1 MET A 450 -3.262 5.636 -3.301 1.00 0.10 H new ATOM 0 HE2 MET A 450 -1.510 5.571 -2.994 1.00 0.10 H new ATOM 0 HE3 MET A 450 -2.134 6.457 -4.406 1.00 0.10 H new ATOM 1724 N LYS A 451 -3.816 5.587 -8.986 1.00 0.11 N ATOM 1725 CA LYS A 451 -4.608 6.745 -9.390 1.00 0.11 C ATOM 1726 C LYS A 451 -6.081 6.514 -9.247 1.00 0.10 C ATOM 1727 O LYS A 451 -6.871 7.430 -9.052 1.00 0.14 O ATOM 1728 CB LYS A 451 -4.310 6.984 -10.833 1.00 0.14 C ATOM 1729 CG LYS A 451 -4.786 8.283 -11.313 1.00 0.22 C ATOM 1730 CD LYS A 451 -4.977 8.240 -12.785 1.00 0.68 C ATOM 1731 CE LYS A 451 -3.953 7.330 -13.366 1.00 0.63 C ATOM 1732 NZ LYS A 451 -3.709 7.567 -14.810 1.00 0.81 N1+ ATOM 0 H LYS A 451 -3.392 5.100 -9.776 1.00 0.11 H new ATOM 0 HA LYS A 451 -4.349 7.590 -8.752 1.00 0.11 H new ATOM 0 HB2 LYS A 451 -3.234 6.918 -10.991 1.00 0.14 H new ATOM 0 HB3 LYS A 451 -4.768 6.194 -11.428 1.00 0.14 H new ATOM 0 HG2 LYS A 451 -5.725 8.539 -10.823 1.00 0.22 H new ATOM 0 HG3 LYS A 451 -4.068 9.061 -11.053 1.00 0.22 H new ATOM 0 HD2 LYS A 451 -5.979 7.887 -13.027 1.00 0.68 H new ATOM 0 HD3 LYS A 451 -4.880 9.239 -13.209 1.00 0.68 H new ATOM 0 HE2 LYS A 451 -3.017 7.453 -12.821 1.00 0.63 H new ATOM 0 HE3 LYS A 451 -4.272 6.297 -13.223 1.00 0.63 H new ATOM 0 HZ1 LYS A 451 -2.987 6.902 -15.154 1.00 0.81 H new ATOM 0 HZ2 LYS A 451 -4.592 7.423 -15.340 1.00 0.81 H new ATOM 0 HZ3 LYS A 451 -3.377 8.542 -14.950 1.00 0.81 H new ATOM 1746 N GLU A 452 -6.418 5.274 -9.416 1.00 0.09 N ATOM 1747 CA GLU A 452 -7.771 4.809 -9.354 1.00 0.08 C ATOM 1748 C GLU A 452 -8.157 4.771 -7.937 1.00 0.07 C ATOM 1749 O GLU A 452 -9.223 5.209 -7.532 1.00 0.08 O ATOM 1750 CB GLU A 452 -7.811 3.415 -9.924 1.00 0.08 C ATOM 1751 CG GLU A 452 -7.181 3.320 -11.277 1.00 0.09 C ATOM 1752 CD GLU A 452 -8.082 3.817 -12.385 1.00 0.13 C ATOM 1753 OE1 GLU A 452 -8.093 5.035 -12.647 1.00 0.31 O1- ATOM 1754 OE2 GLU A 452 -8.781 2.987 -13.008 1.00 0.38 O ATOM 0 H GLU A 452 -5.741 4.535 -9.606 1.00 0.09 H new ATOM 0 HA GLU A 452 -8.447 5.455 -9.914 1.00 0.08 H new ATOM 0 HB2 GLU A 452 -7.300 2.735 -9.243 1.00 0.08 H new ATOM 0 HB3 GLU A 452 -8.847 3.084 -9.988 1.00 0.08 H new ATOM 0 HG2 GLU A 452 -6.256 3.897 -11.282 1.00 0.09 H new ATOM 0 HG3 GLU A 452 -6.911 2.283 -11.474 1.00 0.09 H new ATOM 1761 N LEU A 453 -7.242 4.207 -7.210 1.00 0.06 N ATOM 1762 CA LEU A 453 -7.305 4.125 -5.817 1.00 0.05 C ATOM 1763 C LEU A 453 -7.241 5.469 -5.164 1.00 0.05 C ATOM 1764 O LEU A 453 -8.185 5.889 -4.550 1.00 0.05 O ATOM 1765 CB LEU A 453 -6.136 3.371 -5.315 1.00 0.05 C ATOM 1766 CG LEU A 453 -6.241 2.998 -3.882 1.00 0.05 C ATOM 1767 CD1 LEU A 453 -7.401 2.063 -3.698 1.00 0.06 C ATOM 1768 CD2 LEU A 453 -4.953 2.383 -3.421 1.00 0.06 C ATOM 0 H LEU A 453 -6.404 3.780 -7.605 1.00 0.06 H new ATOM 0 HA LEU A 453 -8.253 3.642 -5.578 1.00 0.05 H new ATOM 0 HB2 LEU A 453 -6.015 2.466 -5.910 1.00 0.05 H new ATOM 0 HB3 LEU A 453 -5.237 3.970 -5.461 1.00 0.05 H new ATOM 0 HG LEU A 453 -6.419 3.885 -3.274 1.00 0.05 H new ATOM 0 HD11 LEU A 453 -7.482 1.786 -2.647 1.00 0.06 H new ATOM 0 HD12 LEU A 453 -8.320 2.556 -4.015 1.00 0.06 H new ATOM 0 HD13 LEU A 453 -7.245 1.167 -4.298 1.00 0.06 H new ATOM 0 HD21 LEU A 453 -5.036 2.111 -2.369 1.00 0.06 H new ATOM 0 HD22 LEU A 453 -4.744 1.491 -4.011 1.00 0.06 H new ATOM 0 HD23 LEU A 453 -4.142 3.100 -3.548 1.00 0.06 H new ATOM 1780 N PHE A 454 -6.105 6.133 -5.263 1.00 0.07 N ATOM 1781 CA PHE A 454 -5.972 7.460 -4.692 1.00 0.08 C ATOM 1782 C PHE A 454 -7.144 8.304 -5.167 1.00 0.09 C ATOM 1783 O PHE A 454 -7.589 9.256 -4.529 1.00 0.10 O ATOM 1784 CB PHE A 454 -4.663 8.115 -5.119 1.00 0.13 C ATOM 1785 CG PHE A 454 -4.273 9.281 -4.259 1.00 0.17 C ATOM 1786 CD1 PHE A 454 -3.492 9.104 -3.133 1.00 0.19 C ATOM 1787 CD2 PHE A 454 -4.698 10.556 -4.582 1.00 0.25 C ATOM 1788 CE1 PHE A 454 -3.142 10.180 -2.344 1.00 0.25 C ATOM 1789 CE2 PHE A 454 -4.353 11.635 -3.797 1.00 0.31 C ATOM 1790 CZ PHE A 454 -3.533 11.424 -2.667 1.00 0.29 C ATOM 0 H PHE A 454 -5.269 5.780 -5.728 1.00 0.07 H new ATOM 0 HA PHE A 454 -5.968 7.383 -3.605 1.00 0.08 H new ATOM 0 HB2 PHE A 454 -3.867 7.371 -5.092 1.00 0.13 H new ATOM 0 HB3 PHE A 454 -4.752 8.449 -6.153 1.00 0.13 H new ATOM 0 HD1 PHE A 454 -3.152 8.114 -2.868 1.00 0.19 H new ATOM 0 HD2 PHE A 454 -5.308 10.709 -5.460 1.00 0.25 H new ATOM 0 HE1 PHE A 454 -2.547 10.021 -1.457 1.00 0.25 H new ATOM 0 HE2 PHE A 454 -4.704 12.626 -4.042 1.00 0.31 H new ATOM 0 HZ PHE A 454 -3.220 12.263 -2.062 1.00 0.29 H new ATOM 1800 N GLY A 455 -7.639 7.880 -6.325 1.00 0.09 N ATOM 1801 CA GLY A 455 -8.745 8.511 -6.970 1.00 0.11 C ATOM 1802 C GLY A 455 -10.064 8.238 -6.250 1.00 0.10 C ATOM 1803 O GLY A 455 -10.976 9.060 -6.296 1.00 0.13 O ATOM 0 H GLY A 455 -7.267 7.078 -6.834 1.00 0.09 H new ATOM 0 HA2 GLY A 455 -8.573 9.586 -7.014 1.00 0.11 H new ATOM 0 HA3 GLY A 455 -8.814 8.157 -7.999 1.00 0.11 H new ATOM 1807 N MET A 456 -10.174 7.061 -5.610 1.00 0.08 N ATOM 1808 CA MET A 456 -11.313 6.748 -4.746 1.00 0.09 C ATOM 1809 C MET A 456 -11.073 7.220 -3.324 1.00 0.10 C ATOM 1810 O MET A 456 -11.916 7.873 -2.709 1.00 0.13 O ATOM 1811 CB MET A 456 -11.582 5.238 -4.698 1.00 0.08 C ATOM 1812 CG MET A 456 -10.403 4.370 -4.986 1.00 0.06 C ATOM 1813 SD MET A 456 -10.844 2.716 -5.510 1.00 0.06 S ATOM 1814 CE MET A 456 -11.543 3.068 -7.096 1.00 0.07 C ATOM 0 H MET A 456 -9.484 6.313 -5.679 1.00 0.08 H new ATOM 0 HA MET A 456 -12.172 7.266 -5.173 1.00 0.09 H new ATOM 0 HB2 MET A 456 -11.965 4.985 -3.709 1.00 0.08 H new ATOM 0 HB3 MET A 456 -12.369 5.003 -5.415 1.00 0.08 H new ATOM 0 HG2 MET A 456 -9.798 4.839 -5.762 1.00 0.06 H new ATOM 0 HG3 MET A 456 -9.782 4.306 -4.092 1.00 0.06 H new ATOM 0 HE1 MET A 456 -11.741 2.134 -7.622 1.00 0.07 H new ATOM 0 HE2 MET A 456 -12.476 3.617 -6.969 1.00 0.07 H new ATOM 0 HE3 MET A 456 -10.844 3.670 -7.676 1.00 0.07 H new ATOM 1824 N VAL A 457 -9.905 6.879 -2.825 1.00 0.08 N ATOM 1825 CA VAL A 457 -9.587 7.016 -1.426 1.00 0.10 C ATOM 1826 C VAL A 457 -8.733 8.202 -1.110 1.00 0.17 C ATOM 1827 O VAL A 457 -7.762 8.534 -1.785 1.00 0.23 O ATOM 1828 CB VAL A 457 -8.944 5.733 -0.883 1.00 0.06 C ATOM 1829 CG1 VAL A 457 -8.043 5.103 -1.924 1.00 0.06 C ATOM 1830 CG2 VAL A 457 -8.196 5.985 0.417 1.00 0.10 C ATOM 0 H VAL A 457 -9.145 6.496 -3.386 1.00 0.08 H new ATOM 0 HA VAL A 457 -10.539 7.187 -0.924 1.00 0.10 H new ATOM 0 HB VAL A 457 -9.746 5.030 -0.659 1.00 0.06 H new ATOM 0 HG11 VAL A 457 -7.598 4.195 -1.518 1.00 0.06 H new ATOM 0 HG12 VAL A 457 -8.628 4.856 -2.810 1.00 0.06 H new ATOM 0 HG13 VAL A 457 -7.254 5.804 -2.195 1.00 0.06 H new ATOM 0 HG21 VAL A 457 -7.755 5.053 0.770 1.00 0.10 H new ATOM 0 HG22 VAL A 457 -7.407 6.718 0.247 1.00 0.10 H new ATOM 0 HG23 VAL A 457 -8.889 6.365 1.168 1.00 0.10 H new ATOM 1840 N GLU A 458 -9.146 8.798 -0.034 1.00 0.18 N ATOM 1841 CA GLU A 458 -8.564 9.943 0.534 1.00 0.26 C ATOM 1842 C GLU A 458 -8.498 9.707 2.002 1.00 0.15 C ATOM 1843 O GLU A 458 -8.869 8.623 2.456 1.00 0.08 O ATOM 1844 CB GLU A 458 -9.407 11.151 0.229 1.00 0.42 C ATOM 1845 CG GLU A 458 -10.862 10.902 0.469 1.00 0.46 C ATOM 1846 CD GLU A 458 -11.714 12.130 0.260 1.00 0.66 C ATOM 1847 OE1 GLU A 458 -12.042 12.435 -0.904 1.00 0.82 O1- ATOM 1848 OE2 GLU A 458 -12.051 12.803 1.256 1.00 0.83 O ATOM 0 H GLU A 458 -9.952 8.464 0.494 1.00 0.18 H new ATOM 0 HA GLU A 458 -7.569 10.126 0.128 1.00 0.26 H new ATOM 0 HB2 GLU A 458 -9.077 11.987 0.846 1.00 0.42 H new ATOM 0 HB3 GLU A 458 -9.257 11.443 -0.810 1.00 0.42 H new ATOM 0 HG2 GLU A 458 -11.204 10.111 -0.199 1.00 0.46 H new ATOM 0 HG3 GLU A 458 -11.000 10.540 1.488 1.00 0.46 H new ATOM 1855 N LYS A 459 -8.011 10.667 2.745 1.00 0.19 N ATOM 1856 CA LYS A 459 -7.965 10.515 4.148 1.00 0.13 C ATOM 1857 C LYS A 459 -9.269 10.099 4.741 1.00 0.14 C ATOM 1858 O LYS A 459 -10.351 10.262 4.171 1.00 0.21 O ATOM 1859 CB LYS A 459 -7.474 11.750 4.815 1.00 0.14 C ATOM 1860 CG LYS A 459 -6.016 11.883 4.732 1.00 0.15 C ATOM 1861 CD LYS A 459 -5.628 13.067 5.510 1.00 0.15 C ATOM 1862 CE LYS A 459 -5.738 14.282 4.664 1.00 0.20 C ATOM 1863 NZ LYS A 459 -5.199 15.501 5.325 1.00 0.24 N1+ ATOM 0 H LYS A 459 -7.647 11.551 2.391 1.00 0.19 H new ATOM 0 HA LYS A 459 -7.257 9.706 4.329 1.00 0.13 H new ATOM 0 HB2 LYS A 459 -7.943 12.620 4.355 1.00 0.14 H new ATOM 0 HB3 LYS A 459 -7.777 11.740 5.862 1.00 0.14 H new ATOM 0 HG2 LYS A 459 -5.528 10.991 5.125 1.00 0.15 H new ATOM 0 HG3 LYS A 459 -5.700 11.988 3.694 1.00 0.15 H new ATOM 0 HD2 LYS A 459 -6.269 13.164 6.387 1.00 0.15 H new ATOM 0 HD3 LYS A 459 -4.606 12.956 5.873 1.00 0.15 H new ATOM 0 HE2 LYS A 459 -5.204 14.116 3.728 1.00 0.20 H new ATOM 0 HE3 LYS A 459 -6.785 14.447 4.408 1.00 0.20 H new ATOM 0 HZ1 LYS A 459 -5.303 16.316 4.688 1.00 0.24 H new ATOM 0 HZ2 LYS A 459 -5.724 15.680 6.205 1.00 0.24 H new ATOM 0 HZ3 LYS A 459 -4.192 15.360 5.546 1.00 0.24 H new ATOM 1877 N GLY A 460 -9.133 9.582 5.920 1.00 0.13 N ATOM 1878 CA GLY A 460 -10.268 9.094 6.630 1.00 0.19 C ATOM 1879 C GLY A 460 -10.505 7.625 6.397 1.00 0.19 C ATOM 1880 O GLY A 460 -10.904 6.902 7.311 1.00 0.37 O ATOM 0 H GLY A 460 -8.244 9.487 6.411 1.00 0.13 H new ATOM 0 HA2 GLY A 460 -10.130 9.272 7.696 1.00 0.19 H new ATOM 0 HA3 GLY A 460 -11.152 9.654 6.325 1.00 0.19 H new ATOM 1884 N THR A 461 -10.238 7.192 5.175 1.00 0.12 N ATOM 1885 CA THR A 461 -10.492 5.840 4.756 1.00 0.10 C ATOM 1886 C THR A 461 -9.521 4.887 5.434 1.00 0.09 C ATOM 1887 O THR A 461 -8.355 5.208 5.640 1.00 0.12 O ATOM 1888 CB THR A 461 -10.354 5.756 3.222 1.00 0.11 C ATOM 1889 OG1 THR A 461 -11.445 6.442 2.598 1.00 0.15 O ATOM 1890 CG2 THR A 461 -10.283 4.313 2.706 1.00 0.08 C ATOM 0 H THR A 461 -9.835 7.781 4.446 1.00 0.12 H new ATOM 0 HA THR A 461 -11.503 5.551 5.043 1.00 0.10 H new ATOM 0 HB THR A 461 -9.410 6.234 2.961 1.00 0.11 H new ATOM 0 HG1 THR A 461 -11.352 6.387 1.624 1.00 0.15 H new ATOM 0 HG21 THR A 461 -10.186 4.319 1.620 1.00 0.08 H new ATOM 0 HG22 THR A 461 -9.420 3.812 3.144 1.00 0.08 H new ATOM 0 HG23 THR A 461 -11.192 3.781 2.986 1.00 0.08 H new ATOM 1898 N PRO A 462 -9.999 3.717 5.827 1.00 0.08 N ATOM 1899 CA PRO A 462 -9.155 2.680 6.333 1.00 0.10 C ATOM 1900 C PRO A 462 -8.375 2.049 5.236 1.00 0.09 C ATOM 1901 O PRO A 462 -8.707 2.138 4.060 1.00 0.10 O ATOM 1902 CB PRO A 462 -10.099 1.632 6.881 1.00 0.12 C ATOM 1903 CG PRO A 462 -11.439 2.215 6.799 1.00 0.09 C ATOM 1904 CD PRO A 462 -11.383 3.298 5.789 1.00 0.07 C ATOM 0 HA PRO A 462 -8.458 3.076 7.071 1.00 0.10 H new ATOM 0 HB2 PRO A 462 -10.038 0.711 6.302 1.00 0.12 H new ATOM 0 HB3 PRO A 462 -9.846 1.379 7.910 1.00 0.12 H new ATOM 0 HG2 PRO A 462 -12.171 1.459 6.513 1.00 0.09 H new ATOM 0 HG3 PRO A 462 -11.748 2.608 7.768 1.00 0.09 H new ATOM 0 HD2 PRO A 462 -11.668 2.940 4.800 1.00 0.07 H new ATOM 0 HD3 PRO A 462 -12.058 4.116 6.039 1.00 0.07 H new ATOM 1912 N VAL A 463 -7.357 1.397 5.646 1.00 0.09 N ATOM 1913 CA VAL A 463 -6.570 0.609 4.780 1.00 0.14 C ATOM 1914 C VAL A 463 -6.362 -0.724 5.434 1.00 0.12 C ATOM 1915 O VAL A 463 -6.072 -0.803 6.620 1.00 0.22 O ATOM 1916 CB VAL A 463 -5.222 1.270 4.483 1.00 0.27 C ATOM 1917 CG1 VAL A 463 -4.329 0.323 3.722 1.00 1.07 C ATOM 1918 CG2 VAL A 463 -5.431 2.564 3.719 1.00 1.09 C ATOM 0 H VAL A 463 -7.039 1.396 6.615 1.00 0.09 H new ATOM 0 HA VAL A 463 -7.085 0.496 3.826 1.00 0.14 H new ATOM 0 HB VAL A 463 -4.729 1.510 5.425 1.00 0.27 H new ATOM 0 HG11 VAL A 463 -3.374 0.808 3.518 1.00 1.07 H new ATOM 0 HG12 VAL A 463 -4.161 -0.575 4.316 1.00 1.07 H new ATOM 0 HG13 VAL A 463 -4.806 0.051 2.780 1.00 1.07 H new ATOM 0 HG21 VAL A 463 -4.465 3.025 3.513 1.00 1.09 H new ATOM 0 HG22 VAL A 463 -5.940 2.353 2.778 1.00 1.09 H new ATOM 0 HG23 VAL A 463 -6.038 3.245 4.316 1.00 1.09 H new ATOM 1928 N LEU A 464 -6.588 -1.761 4.700 1.00 0.07 N ATOM 1929 CA LEU A 464 -6.399 -3.075 5.215 1.00 0.06 C ATOM 1930 C LEU A 464 -5.220 -3.714 4.577 1.00 0.06 C ATOM 1931 O LEU A 464 -4.938 -3.498 3.413 1.00 0.06 O ATOM 1932 CB LEU A 464 -7.603 -3.903 4.902 1.00 0.06 C ATOM 1933 CG LEU A 464 -8.143 -4.720 6.041 1.00 0.08 C ATOM 1934 CD1 LEU A 464 -8.551 -3.802 7.178 1.00 0.12 C ATOM 1935 CD2 LEU A 464 -9.301 -5.548 5.537 1.00 0.13 C ATOM 0 H LEU A 464 -6.907 -1.723 3.732 1.00 0.07 H new ATOM 0 HA LEU A 464 -6.244 -3.009 6.292 1.00 0.06 H new ATOM 0 HB2 LEU A 464 -8.393 -3.242 4.546 1.00 0.06 H new ATOM 0 HB3 LEU A 464 -7.356 -4.576 4.081 1.00 0.06 H new ATOM 0 HG LEU A 464 -7.381 -5.397 6.427 1.00 0.08 H new ATOM 0 HD11 LEU A 464 -8.942 -4.397 8.003 1.00 0.12 H new ATOM 0 HD12 LEU A 464 -7.684 -3.236 7.518 1.00 0.12 H new ATOM 0 HD13 LEU A 464 -9.320 -3.113 6.831 1.00 0.12 H new ATOM 0 HD21 LEU A 464 -9.703 -6.147 6.354 1.00 0.13 H new ATOM 0 HD22 LEU A 464 -10.080 -4.889 5.153 1.00 0.13 H new ATOM 0 HD23 LEU A 464 -8.957 -6.207 4.740 1.00 0.13 H new ATOM 1947 N VAL A 465 -4.516 -4.441 5.379 1.00 0.06 N ATOM 1948 CA VAL A 465 -3.554 -5.387 4.927 1.00 0.06 C ATOM 1949 C VAL A 465 -3.644 -6.564 5.877 1.00 0.08 C ATOM 1950 O VAL A 465 -3.953 -6.367 7.054 1.00 0.09 O ATOM 1951 CB VAL A 465 -2.116 -4.816 4.836 1.00 0.06 C ATOM 1952 CG1 VAL A 465 -2.091 -3.332 4.472 1.00 0.07 C ATOM 1953 CG2 VAL A 465 -1.320 -5.067 6.063 1.00 0.07 C ATOM 0 H VAL A 465 -4.597 -4.391 6.395 1.00 0.06 H new ATOM 0 HA VAL A 465 -3.777 -5.684 3.902 1.00 0.06 H new ATOM 0 HB VAL A 465 -1.643 -5.362 4.020 1.00 0.06 H new ATOM 0 HG11 VAL A 465 -1.058 -2.987 4.423 1.00 0.07 H new ATOM 0 HG12 VAL A 465 -2.569 -3.187 3.503 1.00 0.07 H new ATOM 0 HG13 VAL A 465 -2.628 -2.762 5.230 1.00 0.07 H new ATOM 0 HG21 VAL A 465 -0.322 -4.645 5.942 1.00 0.07 H new ATOM 0 HG22 VAL A 465 -1.811 -4.600 6.917 1.00 0.07 H new ATOM 0 HG23 VAL A 465 -1.242 -6.141 6.233 1.00 0.07 H new ATOM 1963 N PHE A 466 -3.444 -7.769 5.381 1.00 0.11 N ATOM 1964 CA PHE A 466 -3.636 -8.957 6.199 1.00 0.14 C ATOM 1965 C PHE A 466 -2.875 -10.147 5.643 1.00 0.19 C ATOM 1966 O PHE A 466 -2.285 -10.898 6.449 1.00 1.16 O ATOM 1967 CB PHE A 466 -5.122 -9.282 6.342 1.00 0.13 C ATOM 1968 CG PHE A 466 -5.873 -9.312 5.046 1.00 0.12 C ATOM 1969 CD1 PHE A 466 -5.760 -10.378 4.166 1.00 0.14 C ATOM 1970 CD2 PHE A 466 -6.695 -8.263 4.711 1.00 0.14 C ATOM 1971 CE1 PHE A 466 -6.456 -10.382 2.974 1.00 0.18 C ATOM 1972 CE2 PHE A 466 -7.392 -8.268 3.532 1.00 0.17 C ATOM 1973 CZ PHE A 466 -7.277 -9.321 2.660 1.00 0.19 C ATOM 1974 OXT PHE A 466 -2.870 -10.327 4.409 1.00 1.08 O ATOM 0 H PHE A 466 -3.150 -7.954 4.422 1.00 0.11 H new ATOM 0 HA PHE A 466 -3.234 -8.743 7.189 1.00 0.14 H new ATOM 0 HB2 PHE A 466 -5.225 -10.251 6.831 1.00 0.13 H new ATOM 0 HB3 PHE A 466 -5.582 -8.543 6.998 1.00 0.13 H new ATOM 0 HD1 PHE A 466 -5.122 -11.213 4.416 1.00 0.14 H new ATOM 0 HD2 PHE A 466 -6.793 -7.425 5.385 1.00 0.14 H new ATOM 0 HE1 PHE A 466 -6.358 -11.213 2.291 1.00 0.18 H new ATOM 0 HE2 PHE A 466 -8.037 -7.437 3.287 1.00 0.17 H new ATOM 0 HZ PHE A 466 -7.828 -9.318 1.731 1.00 0.19 H new