USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=31 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 HE2:sc= -4.2! C(o=-8.4!,f=-16!) USER MOD Set 1.2: A 439 SER OG : rot -60:sc= -0.0763 USER MOD Set 1.3: A 442 CYS SG : rot 180:sc= -0.825 USER MOD Set 1.4: A 444 ASN : amide:sc= -3.35! C(o=-8.4!,f=-9.1!) USER MOD Set 2.1: A 370 SER OG : rot 49:sc= 0.156 USER MOD Set 2.2: A 377 THR OG1 : rot -118:sc= 0.508 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= -2.45! USER MOD Set 3.3: A 375 THR OG1 : rot 64:sc= 0.0252 USER MOD Set 3.4: A 440 HIS : no HD1:sc= -0.947 K(o=-3.4,f=-3.9) USER MOD Set 4.1: A 354 MET CE :methyl -167:sc= -6.33! (180deg=-6.82!) USER MOD Set 4.2: A 445 THR OG1 : rot -161:sc= 1.08 USER MOD Single : A 343 THR OG1 : rot 30:sc= -0.216 USER MOD Single : A 344 TYR OH : rot 180:sc= 0 USER MOD Single : A 351 ASN : amide:sc= -1.22 X(o=-1.2,f=-1.3) USER MOD Single : A 352 GLN : amide:sc= -8.51! C(o=-8.5!,f=-13!) USER MOD Single : A 353 HIS : no HE2:sc= -3.37! C(o=-3.4!,f=-3.2!) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 357 TYR OH : rot 180:sc= 0 USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 70:sc= -1.97 USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 386 ASN :FLIP amide:sc= -0.218 F(o=-1.3,f=-0.22) USER MOD Single : A 387 LYS NZ :NH3+ -145:sc= 1.21 (180deg=1.11) 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 -97:sc= 0.988 USER MOD Single : A 408 ASN :FLIP amide:sc= -5.25! C(o=-11!,f=-5.3!) USER MOD Single : A 409 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 MET CE :methyl -166:sc= -9.59! (180deg=-10!) USER MOD Single : A 416 THR OG1 : rot -93:sc= 1.25 USER MOD Single : A 423 SER OG : rot -68:sc= -3.48! USER MOD Single : A 426 GLN : amide:sc= -5.65! C(o=-5.7!,f=-12!) USER MOD Single : A 429 TYR OH : rot -144:sc= 0.00629 USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot -33:sc= 0.695 USER MOD Single : A 448 SER OG : rot 180:sc= 0.0195 USER MOD Single : A 450 MET CE :methyl 141:sc= -2.52 (180deg=-6.7!) USER MOD Single : A 451 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 MET CE :methyl 177:sc= -4.54! (180deg=-4.72!) 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 -16.051 0.170 4.485 1.00 0.23 N ATOM 73 CA THR A 343 -15.411 0.652 3.316 1.00 0.19 C ATOM 74 C THR A 343 -14.033 1.167 3.679 1.00 0.13 C ATOM 75 O THR A 343 -13.875 2.036 4.537 1.00 0.16 O ATOM 76 CB THR A 343 -16.250 1.761 2.686 1.00 0.24 C ATOM 77 OG1 THR A 343 -17.534 1.246 2.301 1.00 0.45 O ATOM 78 CG2 THR A 343 -15.555 2.344 1.492 1.00 0.20 C ATOM 0 HA THR A 343 -15.309 -0.156 2.591 1.00 0.19 H new ATOM 0 HB THR A 343 -16.385 2.551 3.425 1.00 0.24 H new ATOM 0 HG1 THR A 343 -17.787 0.515 2.903 1.00 0.45 H new ATOM 0 HG21 THR A 343 -16.172 3.132 1.060 1.00 0.20 H new ATOM 0 HG22 THR A 343 -14.595 2.761 1.797 1.00 0.20 H new ATOM 0 HG23 THR A 343 -15.391 1.563 0.749 1.00 0.20 H new ATOM 86 N TYR A 344 -13.059 0.608 3.002 1.00 0.10 N ATOM 87 CA TYR A 344 -11.664 0.854 3.253 1.00 0.07 C ATOM 88 C TYR A 344 -10.837 0.499 2.046 1.00 0.06 C ATOM 89 O TYR A 344 -11.360 0.237 0.970 1.00 0.08 O ATOM 90 CB TYR A 344 -11.152 0.013 4.415 1.00 0.08 C ATOM 91 CG TYR A 344 -11.700 -1.391 4.493 1.00 0.12 C ATOM 92 CD1 TYR A 344 -11.168 -2.426 3.738 1.00 0.14 C ATOM 93 CD2 TYR A 344 -12.743 -1.680 5.350 1.00 0.19 C ATOM 94 CE1 TYR A 344 -11.671 -3.707 3.834 1.00 0.20 C ATOM 95 CE2 TYR A 344 -13.246 -2.957 5.456 1.00 0.25 C ATOM 96 CZ TYR A 344 -12.710 -3.967 4.696 1.00 0.25 C ATOM 97 OH TYR A 344 -13.212 -5.241 4.803 1.00 0.32 O ATOM 0 H TYR A 344 -13.223 -0.049 2.239 1.00 0.10 H new ATOM 0 HA TYR A 344 -11.571 1.914 3.489 1.00 0.07 H new ATOM 0 HB2 TYR A 344 -10.065 -0.043 4.349 1.00 0.08 H new ATOM 0 HB3 TYR A 344 -11.389 0.529 5.346 1.00 0.08 H new ATOM 0 HD1 TYR A 344 -10.348 -2.226 3.065 1.00 0.14 H new ATOM 0 HD2 TYR A 344 -13.172 -0.890 5.948 1.00 0.19 H new ATOM 0 HE1 TYR A 344 -11.251 -4.501 3.235 1.00 0.20 H new ATOM 0 HE2 TYR A 344 -14.060 -3.164 6.135 1.00 0.25 H new ATOM 0 HH TYR A 344 -13.942 -5.251 5.457 1.00 0.32 H new ATOM 107 N ILE A 345 -9.535 0.502 2.228 1.00 0.05 N ATOM 108 CA ILE A 345 -8.660 -0.093 1.255 1.00 0.05 C ATOM 109 C ILE A 345 -8.272 -1.465 1.751 1.00 0.05 C ATOM 110 O ILE A 345 -8.394 -1.723 2.937 1.00 0.08 O ATOM 111 CB ILE A 345 -7.389 0.733 1.006 1.00 0.06 C ATOM 112 CG1 ILE A 345 -7.722 2.199 0.910 1.00 0.07 C ATOM 113 CG2 ILE A 345 -6.749 0.271 -0.286 1.00 0.06 C ATOM 114 CD1 ILE A 345 -8.753 2.446 -0.131 1.00 0.07 C ATOM 0 H ILE A 345 -9.065 0.908 3.037 1.00 0.05 H new ATOM 0 HA ILE A 345 -9.195 -0.141 0.307 1.00 0.05 H new ATOM 0 HB ILE A 345 -6.699 0.589 1.838 1.00 0.06 H new ATOM 0 HG12 ILE A 345 -8.081 2.557 1.875 1.00 0.07 H new ATOM 0 HG13 ILE A 345 -6.821 2.765 0.675 1.00 0.07 H new ATOM 0 HG21 ILE A 345 -5.845 0.851 -0.472 1.00 0.06 H new ATOM 0 HG22 ILE A 345 -6.492 -0.785 -0.207 1.00 0.06 H new ATOM 0 HG23 ILE A 345 -7.448 0.414 -1.110 1.00 0.06 H new ATOM 0 HD11 ILE A 345 -8.974 3.512 -0.178 1.00 0.07 H new ATOM 0 HD12 ILE A 345 -8.381 2.109 -1.099 1.00 0.07 H new ATOM 0 HD13 ILE A 345 -9.661 1.898 0.119 1.00 0.07 H new ATOM 126 N GLU A 346 -7.825 -2.346 0.882 1.00 0.05 N ATOM 127 CA GLU A 346 -7.424 -3.667 1.327 1.00 0.05 C ATOM 128 C GLU A 346 -6.176 -4.110 0.641 1.00 0.05 C ATOM 129 O GLU A 346 -5.833 -3.632 -0.415 1.00 0.06 O ATOM 130 CB GLU A 346 -8.528 -4.677 1.086 1.00 0.06 C ATOM 131 CG GLU A 346 -8.777 -5.497 2.299 1.00 0.07 C ATOM 132 CD GLU A 346 -9.782 -6.617 2.105 1.00 0.09 C ATOM 133 OE1 GLU A 346 -9.485 -7.570 1.362 1.00 0.12 O ATOM 134 OE2 GLU A 346 -10.867 -6.562 2.722 1.00 0.17 O1- ATOM 0 H GLU A 346 -7.730 -2.178 -0.120 1.00 0.05 H new ATOM 0 HA GLU A 346 -7.230 -3.606 2.398 1.00 0.05 H new ATOM 0 HB2 GLU A 346 -9.443 -4.159 0.800 1.00 0.06 H new ATOM 0 HB3 GLU A 346 -8.256 -5.326 0.254 1.00 0.06 H new ATOM 0 HG2 GLU A 346 -7.832 -5.927 2.632 1.00 0.07 H new ATOM 0 HG3 GLU A 346 -9.129 -4.844 3.098 1.00 0.07 H new ATOM 141 N VAL A 347 -5.475 -4.974 1.313 1.00 0.05 N ATOM 142 CA VAL A 347 -4.227 -5.509 0.850 1.00 0.05 C ATOM 143 C VAL A 347 -4.050 -6.890 1.385 1.00 0.07 C ATOM 144 O VAL A 347 -4.251 -7.146 2.569 1.00 0.08 O ATOM 145 CB VAL A 347 -3.047 -4.686 1.360 1.00 0.06 C ATOM 146 CG1 VAL A 347 -1.748 -5.392 1.036 1.00 0.06 C ATOM 147 CG2 VAL A 347 -3.052 -3.294 0.787 1.00 0.06 C ATOM 0 H VAL A 347 -5.762 -5.336 2.222 1.00 0.05 H new ATOM 0 HA VAL A 347 -4.250 -5.494 -0.240 1.00 0.05 H new ATOM 0 HB VAL A 347 -3.142 -4.592 2.442 1.00 0.06 H new ATOM 0 HG11 VAL A 347 -0.910 -4.799 1.403 1.00 0.06 H new ATOM 0 HG12 VAL A 347 -1.737 -6.371 1.515 1.00 0.06 H new ATOM 0 HG13 VAL A 347 -1.660 -5.515 -0.043 1.00 0.06 H new ATOM 0 HG21 VAL A 347 -2.197 -2.739 1.173 1.00 0.06 H new ATOM 0 HG22 VAL A 347 -2.989 -3.348 -0.300 1.00 0.06 H new ATOM 0 HG23 VAL A 347 -3.973 -2.786 1.072 1.00 0.06 H new ATOM 157 N ASP A 348 -3.649 -7.758 0.517 1.00 0.08 N ATOM 158 CA ASP A 348 -3.278 -9.075 0.911 1.00 0.11 C ATOM 159 C ASP A 348 -1.812 -9.261 0.624 1.00 0.15 C ATOM 160 O ASP A 348 -1.359 -9.023 -0.494 1.00 0.24 O ATOM 161 CB ASP A 348 -4.125 -10.093 0.183 1.00 0.14 C ATOM 162 CG ASP A 348 -3.924 -11.503 0.683 1.00 0.18 C ATOM 163 OD1 ASP A 348 -2.768 -11.942 0.817 1.00 0.33 O ATOM 164 OD2 ASP A 348 -4.937 -12.197 0.921 1.00 0.37 O1- ATOM 0 H ASP A 348 -3.569 -7.575 -0.483 1.00 0.08 H new ATOM 0 HA ASP A 348 -3.450 -9.219 1.978 1.00 0.11 H new ATOM 0 HB2 ASP A 348 -5.176 -9.824 0.289 1.00 0.14 H new ATOM 0 HB3 ASP A 348 -3.892 -10.055 -0.881 1.00 0.14 H new ATOM 169 N LEU A 349 -1.073 -9.626 1.632 1.00 0.13 N ATOM 170 CA LEU A 349 0.353 -9.778 1.510 1.00 0.14 C ATOM 171 C LEU A 349 0.689 -11.052 0.766 1.00 0.20 C ATOM 172 O LEU A 349 1.526 -11.098 -0.127 1.00 0.32 O ATOM 173 CB LEU A 349 0.961 -9.785 2.909 1.00 0.16 C ATOM 174 CG LEU A 349 0.849 -8.487 3.694 1.00 0.14 C ATOM 175 CD1 LEU A 349 1.051 -7.293 2.811 1.00 0.14 C ATOM 176 CD2 LEU A 349 -0.475 -8.374 4.384 1.00 0.12 C ATOM 0 H LEU A 349 -1.439 -9.827 2.562 1.00 0.13 H new ATOM 0 HA LEU A 349 0.768 -8.948 0.938 1.00 0.14 H new ATOM 0 HB2 LEU A 349 0.484 -10.577 3.486 1.00 0.16 H new ATOM 0 HB3 LEU A 349 2.016 -10.044 2.823 1.00 0.16 H new ATOM 0 HG LEU A 349 1.638 -8.509 4.446 1.00 0.14 H new ATOM 0 HD11 LEU A 349 0.964 -6.383 3.404 1.00 0.14 H new ATOM 0 HD12 LEU A 349 2.042 -7.338 2.359 1.00 0.14 H new ATOM 0 HD13 LEU A 349 0.294 -7.288 2.027 1.00 0.14 H new ATOM 0 HD21 LEU A 349 -0.519 -7.434 4.935 1.00 0.12 H new ATOM 0 HD22 LEU A 349 -1.274 -8.398 3.643 1.00 0.12 H new ATOM 0 HD23 LEU A 349 -0.597 -9.207 5.077 1.00 0.12 H new ATOM 188 N GLU A 350 -0.032 -12.071 1.161 1.00 0.20 N ATOM 189 CA GLU A 350 0.147 -13.423 0.673 1.00 0.24 C ATOM 190 C GLU A 350 0.011 -13.527 -0.831 1.00 0.22 C ATOM 191 O GLU A 350 0.869 -14.081 -1.504 1.00 0.31 O ATOM 192 CB GLU A 350 -0.880 -14.292 1.325 1.00 0.31 C ATOM 193 CG GLU A 350 -0.564 -14.577 2.766 1.00 0.41 C ATOM 194 CD GLU A 350 0.457 -15.676 2.951 1.00 0.84 C ATOM 195 OE1 GLU A 350 1.626 -15.476 2.560 1.00 0.96 O1- ATOM 196 OE2 GLU A 350 0.096 -16.753 3.473 1.00 1.51 O ATOM 0 H GLU A 350 -0.780 -11.985 1.849 1.00 0.20 H new ATOM 0 HA GLU A 350 1.159 -13.742 0.921 1.00 0.24 H new ATOM 0 HB2 GLU A 350 -1.855 -13.808 1.259 1.00 0.31 H new ATOM 0 HB3 GLU A 350 -0.954 -15.233 0.780 1.00 0.31 H new ATOM 0 HG2 GLU A 350 -0.195 -13.666 3.236 1.00 0.41 H new ATOM 0 HG3 GLU A 350 -1.482 -14.854 3.284 1.00 0.41 H new ATOM 203 N ASN A 351 -1.114 -13.056 -1.339 1.00 0.18 N ATOM 204 CA ASN A 351 -1.386 -13.099 -2.761 1.00 0.19 C ATOM 205 C ASN A 351 -1.229 -11.730 -3.348 1.00 0.21 C ATOM 206 O ASN A 351 -1.755 -11.417 -4.417 1.00 0.35 O ATOM 207 CB ASN A 351 -2.773 -13.652 -3.040 1.00 0.27 C ATOM 208 CG ASN A 351 -3.802 -13.149 -2.091 1.00 0.48 C ATOM 209 OD1 ASN A 351 -4.477 -12.150 -2.339 1.00 0.91 O ATOM 210 ND2 ASN A 351 -3.928 -13.849 -0.988 1.00 0.39 N ATOM 0 H ASN A 351 -1.858 -12.637 -0.781 1.00 0.18 H new ATOM 0 HA ASN A 351 -0.667 -13.770 -3.231 1.00 0.19 H new ATOM 0 HB2 ASN A 351 -3.065 -13.389 -4.057 1.00 0.27 H new ATOM 0 HB3 ASN A 351 -2.741 -14.740 -2.989 1.00 0.27 H new ATOM 0 HD21 ASN A 351 -4.613 -13.573 -0.284 1.00 0.39 H new ATOM 0 HD22 ASN A 351 -3.341 -14.669 -0.835 1.00 0.39 H new ATOM 217 N GLN A 352 -0.481 -10.935 -2.577 1.00 0.12 N ATOM 218 CA GLN A 352 0.021 -9.619 -2.987 1.00 0.11 C ATOM 219 C GLN A 352 -0.967 -8.878 -3.857 1.00 0.11 C ATOM 220 O GLN A 352 -0.738 -8.673 -5.048 1.00 0.18 O ATOM 221 CB GLN A 352 1.339 -9.764 -3.729 1.00 0.18 C ATOM 222 CG GLN A 352 2.493 -10.288 -2.884 1.00 0.30 C ATOM 223 CD GLN A 352 3.184 -9.210 -2.083 1.00 1.41 C ATOM 224 OE1 GLN A 352 4.207 -8.684 -2.502 1.00 2.22 O ATOM 225 NE2 GLN A 352 2.639 -8.873 -0.927 1.00 1.92 N ATOM 0 H GLN A 352 -0.201 -11.193 -1.631 1.00 0.12 H new ATOM 0 HA GLN A 352 0.170 -9.037 -2.077 1.00 0.11 H new ATOM 0 HB2 GLN A 352 1.192 -10.436 -4.575 1.00 0.18 H new ATOM 0 HB3 GLN A 352 1.618 -8.793 -4.138 1.00 0.18 H new ATOM 0 HG2 GLN A 352 2.118 -11.053 -2.204 1.00 0.30 H new ATOM 0 HG3 GLN A 352 3.222 -10.770 -3.536 1.00 0.30 H new ATOM 0 HE21 GLN A 352 1.786 -9.334 -0.612 1.00 1.92 H new ATOM 0 HE22 GLN A 352 3.072 -8.152 -0.350 1.00 1.92 H new ATOM 234 N HIS A 353 -2.032 -8.438 -3.239 1.00 0.07 N ATOM 235 CA HIS A 353 -3.130 -7.814 -3.958 1.00 0.07 C ATOM 236 C HIS A 353 -3.793 -6.781 -3.059 1.00 0.06 C ATOM 237 O HIS A 353 -4.164 -7.069 -1.936 1.00 0.07 O ATOM 238 CB HIS A 353 -4.146 -8.880 -4.348 1.00 0.08 C ATOM 239 CG HIS A 353 -5.010 -8.499 -5.511 1.00 0.09 C ATOM 240 ND1 HIS A 353 -4.732 -8.846 -6.813 1.00 0.11 N ATOM 241 CD2 HIS A 353 -6.161 -7.801 -5.554 1.00 0.12 C ATOM 242 CE1 HIS A 353 -5.682 -8.371 -7.599 1.00 0.13 C ATOM 243 NE2 HIS A 353 -6.565 -7.737 -6.860 1.00 0.13 N ATOM 0 H HIS A 353 -2.170 -8.498 -2.230 1.00 0.07 H new ATOM 0 HA HIS A 353 -2.754 -7.326 -4.857 1.00 0.07 H new ATOM 0 HB2 HIS A 353 -3.616 -9.802 -4.588 1.00 0.08 H new ATOM 0 HB3 HIS A 353 -4.783 -9.092 -3.489 1.00 0.08 H new ATOM 0 HD1 HIS A 353 -3.922 -9.384 -7.122 1.00 0.11 H new ATOM 0 HD2 HIS A 353 -6.674 -7.368 -4.708 1.00 0.12 H new ATOM 0 HE1 HIS A 353 -5.726 -8.485 -8.672 1.00 0.13 H new ATOM 252 N MET A 354 -3.894 -5.575 -3.553 1.00 0.05 N ATOM 253 CA MET A 354 -4.487 -4.482 -2.835 1.00 0.05 C ATOM 254 C MET A 354 -5.791 -4.065 -3.486 1.00 0.04 C ATOM 255 O MET A 354 -5.859 -3.822 -4.688 1.00 0.05 O ATOM 256 CB MET A 354 -3.500 -3.333 -2.808 1.00 0.05 C ATOM 257 CG MET A 354 -4.036 -2.120 -2.099 1.00 0.06 C ATOM 258 SD MET A 354 -3.678 -0.603 -2.958 1.00 0.06 S ATOM 259 CE MET A 354 -4.618 -0.967 -4.403 1.00 0.06 C ATOM 0 H MET A 354 -3.560 -5.322 -4.483 1.00 0.05 H new ATOM 0 HA MET A 354 -4.716 -4.787 -1.814 1.00 0.05 H new ATOM 0 HB2 MET A 354 -2.583 -3.659 -2.317 1.00 0.05 H new ATOM 0 HB3 MET A 354 -3.236 -3.063 -3.830 1.00 0.05 H new ATOM 0 HG2 MET A 354 -5.115 -2.220 -1.983 1.00 0.06 H new ATOM 0 HG3 MET A 354 -3.611 -2.073 -1.097 1.00 0.06 H new ATOM 0 HE1 MET A 354 -4.363 -0.258 -5.191 1.00 0.06 H new ATOM 0 HE2 MET A 354 -4.392 -1.979 -4.738 1.00 0.06 H new ATOM 0 HE3 MET A 354 -5.681 -0.889 -4.175 1.00 0.06 H new ATOM 269 N TRP A 355 -6.821 -4.013 -2.665 1.00 0.05 N ATOM 270 CA TRP A 355 -8.163 -3.700 -3.095 1.00 0.05 C ATOM 271 C TRP A 355 -8.617 -2.372 -2.574 1.00 0.05 C ATOM 272 O TRP A 355 -7.961 -1.769 -1.749 1.00 0.05 O ATOM 273 CB TRP A 355 -9.163 -4.721 -2.594 1.00 0.06 C ATOM 274 CG TRP A 355 -9.019 -6.072 -3.177 1.00 0.07 C ATOM 275 CD1 TRP A 355 -9.619 -6.530 -4.298 1.00 0.08 C ATOM 276 CD2 TRP A 355 -8.248 -7.141 -2.651 1.00 0.08 C ATOM 277 NE1 TRP A 355 -9.258 -7.825 -4.525 1.00 0.09 N ATOM 278 CE2 TRP A 355 -8.411 -8.235 -3.512 1.00 0.08 C ATOM 279 CE3 TRP A 355 -7.430 -7.273 -1.533 1.00 0.08 C ATOM 280 CZ2 TRP A 355 -7.773 -9.458 -3.280 1.00 0.10 C ATOM 281 CZ3 TRP A 355 -6.802 -8.470 -1.306 1.00 0.09 C ATOM 282 CH2 TRP A 355 -6.973 -9.557 -2.175 1.00 0.10 C ATOM 0 H TRP A 355 -6.744 -4.191 -1.664 1.00 0.05 H new ATOM 0 HA TRP A 355 -8.125 -3.696 -4.184 1.00 0.05 H new ATOM 0 HB2 TRP A 355 -9.071 -4.797 -1.511 1.00 0.06 H new ATOM 0 HB3 TRP A 355 -10.169 -4.356 -2.803 1.00 0.06 H new ATOM 0 HD1 TRP A 355 -10.286 -5.955 -4.922 1.00 0.08 H new ATOM 0 HE1 TRP A 355 -9.563 -8.397 -5.313 1.00 0.09 H new ATOM 0 HE3 TRP A 355 -7.292 -6.444 -0.854 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 -7.907 -10.295 -3.950 1.00 0.10 H new ATOM 0 HZ3 TRP A 355 -6.164 -8.578 -0.442 1.00 0.09 H new ATOM 0 HH2 TRP A 355 -6.465 -10.487 -1.969 1.00 0.10 H new ATOM 293 N TYR A 356 -9.770 -1.955 -3.029 1.00 0.06 N ATOM 294 CA TYR A 356 -10.479 -0.870 -2.403 1.00 0.06 C ATOM 295 C TYR A 356 -11.838 -1.389 -2.085 1.00 0.06 C ATOM 296 O TYR A 356 -12.599 -1.712 -2.963 1.00 0.07 O ATOM 297 CB TYR A 356 -10.546 0.352 -3.291 1.00 0.06 C ATOM 298 CG TYR A 356 -11.373 1.497 -2.688 1.00 0.08 C ATOM 299 CD1 TYR A 356 -12.718 1.350 -2.432 1.00 0.18 C ATOM 300 CD2 TYR A 356 -10.793 2.710 -2.337 1.00 0.07 C ATOM 301 CE1 TYR A 356 -13.455 2.360 -1.852 1.00 0.22 C ATOM 302 CE2 TYR A 356 -11.525 3.724 -1.749 1.00 0.09 C ATOM 303 CZ TYR A 356 -12.889 3.607 -1.682 1.00 0.13 C ATOM 304 OH TYR A 356 -13.591 4.542 -0.917 1.00 0.20 O ATOM 0 H TYR A 356 -10.242 -2.356 -3.840 1.00 0.06 H new ATOM 0 HA TYR A 356 -9.961 -0.542 -1.502 1.00 0.06 H new ATOM 0 HB2 TYR A 356 -9.534 0.707 -3.485 1.00 0.06 H new ATOM 0 HB3 TYR A 356 -10.975 0.071 -4.253 1.00 0.06 H new ATOM 0 HD1 TYR A 356 -13.206 0.422 -2.692 1.00 0.18 H new ATOM 0 HD2 TYR A 356 -9.741 2.865 -2.529 1.00 0.07 H new ATOM 0 HE1 TYR A 356 -14.470 2.176 -1.532 1.00 0.22 H new ATOM 0 HE2 TYR A 356 -11.030 4.596 -1.348 1.00 0.09 H new ATOM 0 HH TYR A 356 -13.082 5.378 -0.875 1.00 0.20 H new ATOM 314 N TYR A 357 -12.119 -1.535 -0.831 1.00 0.09 N ATOM 315 CA TYR A 357 -13.393 -2.055 -0.444 1.00 0.11 C ATOM 316 C TYR A 357 -14.338 -0.957 -0.090 1.00 0.12 C ATOM 317 O TYR A 357 -14.049 -0.102 0.722 1.00 0.14 O ATOM 318 CB TYR A 357 -13.303 -3.033 0.720 1.00 0.12 C ATOM 319 CG TYR A 357 -12.939 -4.426 0.306 1.00 0.12 C ATOM 320 CD1 TYR A 357 -11.663 -4.708 -0.119 1.00 0.12 C ATOM 321 CD2 TYR A 357 -13.873 -5.451 0.333 1.00 0.14 C ATOM 322 CE1 TYR A 357 -11.311 -5.974 -0.512 1.00 0.14 C ATOM 323 CE2 TYR A 357 -13.533 -6.729 -0.060 1.00 0.16 C ATOM 324 CZ TYR A 357 -12.248 -6.989 -0.483 1.00 0.14 C ATOM 325 OH TYR A 357 -11.900 -8.262 -0.881 1.00 0.18 O ATOM 0 H TYR A 357 -11.491 -1.304 -0.061 1.00 0.09 H new ATOM 0 HA TYR A 357 -13.769 -2.598 -1.311 1.00 0.11 H new ATOM 0 HB2 TYR A 357 -12.563 -2.670 1.433 1.00 0.12 H new ATOM 0 HB3 TYR A 357 -14.261 -3.056 1.239 1.00 0.12 H new ATOM 0 HD1 TYR A 357 -10.925 -3.920 -0.144 1.00 0.12 H new ATOM 0 HD2 TYR A 357 -14.880 -5.246 0.666 1.00 0.14 H new ATOM 0 HE1 TYR A 357 -10.303 -6.177 -0.843 1.00 0.14 H new ATOM 0 HE2 TYR A 357 -14.269 -7.519 -0.036 1.00 0.16 H new ATOM 0 HH TYR A 357 -12.676 -8.854 -0.798 1.00 0.18 H new ATOM 335 N LYS A 358 -15.465 -1.015 -0.713 1.00 0.12 N ATOM 336 CA LYS A 358 -16.553 -0.185 -0.427 1.00 0.14 C ATOM 337 C LYS A 358 -17.798 -0.982 -0.571 1.00 0.17 C ATOM 338 O LYS A 358 -17.951 -1.776 -1.498 1.00 0.19 O ATOM 339 CB LYS A 358 -16.570 1.003 -1.310 1.00 0.18 C ATOM 340 CG LYS A 358 -17.872 1.630 -1.315 1.00 0.24 C ATOM 341 CD LYS A 358 -17.677 3.076 -1.236 1.00 0.28 C ATOM 342 CE LYS A 358 -17.421 3.621 -2.591 1.00 0.42 C ATOM 343 NZ LYS A 358 -17.823 5.045 -2.717 1.00 0.47 N1+ ATOM 0 H LYS A 358 -15.647 -1.677 -1.467 1.00 0.12 H new ATOM 0 HA LYS A 358 -16.472 0.188 0.594 1.00 0.14 H new ATOM 0 HB2 LYS A 358 -15.820 1.719 -0.975 1.00 0.18 H new ATOM 0 HB3 LYS A 358 -16.301 0.710 -2.325 1.00 0.18 H new ATOM 0 HG2 LYS A 358 -18.418 1.368 -2.221 1.00 0.24 H new ATOM 0 HG3 LYS A 358 -18.467 1.279 -0.472 1.00 0.24 H new ATOM 0 HD2 LYS A 358 -18.559 3.548 -0.804 1.00 0.28 H new ATOM 0 HD3 LYS A 358 -16.839 3.304 -0.578 1.00 0.28 H new ATOM 0 HE2 LYS A 358 -16.360 3.524 -2.823 1.00 0.42 H new ATOM 0 HE3 LYS A 358 -17.964 3.027 -3.326 1.00 0.42 H new ATOM 0 HZ1 LYS A 358 -17.624 5.378 -3.682 1.00 0.47 H new ATOM 0 HZ2 LYS A 358 -18.840 5.137 -2.522 1.00 0.47 H new ATOM 0 HZ3 LYS A 358 -17.287 5.619 -2.035 1.00 0.47 H new ATOM 357 N ASP A 359 -18.651 -0.791 0.409 1.00 0.23 N ATOM 358 CA ASP A 359 -19.939 -1.436 0.462 1.00 0.30 C ATOM 359 C ASP A 359 -19.739 -2.889 0.758 1.00 0.27 C ATOM 360 O ASP A 359 -20.654 -3.707 0.696 1.00 0.33 O ATOM 361 CB ASP A 359 -20.670 -1.244 -0.852 1.00 0.34 C ATOM 362 CG ASP A 359 -22.172 -1.124 -0.686 1.00 0.44 C ATOM 363 OD1 ASP A 359 -22.828 -2.138 -0.380 1.00 0.60 O ATOM 364 OD2 ASP A 359 -22.707 -0.012 -0.872 1.00 0.49 O1- ATOM 0 H ASP A 359 -18.466 -0.175 1.201 1.00 0.23 H new ATOM 0 HA ASP A 359 -20.548 -0.993 1.250 1.00 0.30 H new ATOM 0 HB2 ASP A 359 -20.292 -0.347 -1.343 1.00 0.34 H new ATOM 0 HB3 ASP A 359 -20.449 -2.085 -1.510 1.00 0.34 H new ATOM 369 N GLY A 360 -18.501 -3.170 1.129 1.00 0.22 N ATOM 370 CA GLY A 360 -18.109 -4.493 1.475 1.00 0.21 C ATOM 371 C GLY A 360 -17.691 -5.285 0.266 1.00 0.19 C ATOM 372 O GLY A 360 -17.517 -6.504 0.308 1.00 0.23 O ATOM 0 H GLY A 360 -17.754 -2.478 1.193 1.00 0.22 H new ATOM 0 HA2 GLY A 360 -17.284 -4.454 2.187 1.00 0.21 H new ATOM 0 HA3 GLY A 360 -18.936 -4.999 1.973 1.00 0.21 H new ATOM 376 N LYS A 361 -17.517 -4.542 -0.788 1.00 0.16 N ATOM 377 CA LYS A 361 -17.263 -5.020 -2.109 1.00 0.17 C ATOM 378 C LYS A 361 -16.055 -4.260 -2.606 1.00 0.13 C ATOM 379 O LYS A 361 -15.674 -3.283 -1.975 1.00 0.15 O ATOM 380 CB LYS A 361 -18.530 -4.714 -2.898 1.00 0.22 C ATOM 381 CG LYS A 361 -18.337 -4.164 -4.277 1.00 0.32 C ATOM 382 CD LYS A 361 -18.654 -5.169 -5.350 1.00 0.55 C ATOM 383 CE LYS A 361 -18.029 -6.486 -5.034 1.00 0.52 C ATOM 384 NZ LYS A 361 -18.120 -7.453 -6.158 1.00 0.68 N1+ ATOM 0 H LYS A 361 -17.552 -3.524 -0.741 1.00 0.16 H new ATOM 0 HA LYS A 361 -17.047 -6.085 -2.190 1.00 0.17 H new ATOM 0 HB2 LYS A 361 -19.115 -5.630 -2.974 1.00 0.22 H new ATOM 0 HB3 LYS A 361 -19.125 -4.002 -2.326 1.00 0.22 H new ATOM 0 HG2 LYS A 361 -18.972 -3.287 -4.407 1.00 0.32 H new ATOM 0 HG3 LYS A 361 -17.305 -3.830 -4.390 1.00 0.32 H new ATOM 0 HD2 LYS A 361 -19.734 -5.285 -5.440 1.00 0.55 H new ATOM 0 HD3 LYS A 361 -18.290 -4.809 -6.312 1.00 0.55 H new ATOM 0 HE2 LYS A 361 -16.981 -6.333 -4.777 1.00 0.52 H new ATOM 0 HE3 LYS A 361 -18.514 -6.911 -4.155 1.00 0.52 H new ATOM 0 HZ1 LYS A 361 -17.670 -8.349 -5.882 1.00 0.68 H new ATOM 0 HZ2 LYS A 361 -19.120 -7.624 -6.389 1.00 0.68 H new ATOM 0 HZ3 LYS A 361 -17.634 -7.064 -6.991 1.00 0.68 H new ATOM 398 N VAL A 362 -15.422 -4.650 -3.686 1.00 0.10 N ATOM 399 CA VAL A 362 -14.277 -3.878 -4.081 1.00 0.09 C ATOM 400 C VAL A 362 -14.580 -2.962 -5.202 1.00 0.09 C ATOM 401 O VAL A 362 -15.300 -3.247 -6.158 1.00 0.11 O ATOM 402 CB VAL A 362 -12.981 -4.635 -4.389 1.00 0.18 C ATOM 403 CG1 VAL A 362 -12.690 -5.680 -3.359 1.00 0.53 C ATOM 404 CG2 VAL A 362 -12.955 -5.205 -5.774 1.00 0.52 C ATOM 0 H VAL A 362 -15.662 -5.448 -4.274 1.00 0.10 H new ATOM 0 HA VAL A 362 -14.068 -3.326 -3.165 1.00 0.09 H new ATOM 0 HB VAL A 362 -12.181 -3.896 -4.345 1.00 0.18 H new ATOM 0 HG11 VAL A 362 -11.763 -6.194 -3.614 1.00 0.53 H new ATOM 0 HG12 VAL A 362 -12.587 -5.209 -2.382 1.00 0.53 H new ATOM 0 HG13 VAL A 362 -13.508 -6.400 -3.330 1.00 0.53 H new ATOM 0 HG21 VAL A 362 -12.013 -5.729 -5.934 1.00 0.52 H new ATOM 0 HG22 VAL A 362 -13.784 -5.902 -5.896 1.00 0.52 H new ATOM 0 HG23 VAL A 362 -13.049 -4.399 -6.501 1.00 0.52 H new ATOM 414 N ALA A 363 -14.017 -1.839 -4.993 1.00 0.09 N ATOM 415 CA ALA A 363 -14.033 -0.753 -5.876 1.00 0.10 C ATOM 416 C ALA A 363 -12.809 -0.813 -6.730 1.00 0.10 C ATOM 417 O ALA A 363 -12.766 -0.302 -7.851 1.00 0.12 O ATOM 418 CB ALA A 363 -13.984 0.467 -5.025 1.00 0.11 C ATOM 0 H ALA A 363 -13.496 -1.644 -4.138 1.00 0.09 H new ATOM 0 HA ALA A 363 -14.913 -0.757 -6.519 1.00 0.10 H new ATOM 0 HB1 ALA A 363 -13.994 1.354 -5.659 1.00 0.11 H new ATOM 0 HB2 ALA A 363 -14.850 0.484 -4.364 1.00 0.11 H new ATOM 0 HB3 ALA A 363 -13.072 0.458 -4.428 1.00 0.11 H new ATOM 424 N LEU A 364 -11.803 -1.456 -6.168 1.00 0.08 N ATOM 425 CA LEU A 364 -10.515 -1.474 -6.767 1.00 0.07 C ATOM 426 C LEU A 364 -9.797 -2.738 -6.347 1.00 0.06 C ATOM 427 O LEU A 364 -10.116 -3.325 -5.316 1.00 0.08 O ATOM 428 CB LEU A 364 -9.725 -0.232 -6.383 1.00 0.06 C ATOM 429 CG LEU A 364 -8.751 0.184 -7.458 1.00 0.07 C ATOM 430 CD1 LEU A 364 -9.412 1.040 -8.503 1.00 0.07 C ATOM 431 CD2 LEU A 364 -7.560 0.904 -6.917 1.00 0.06 C ATOM 0 H LEU A 364 -11.871 -1.972 -5.291 1.00 0.08 H new ATOM 0 HA LEU A 364 -10.614 -1.467 -7.852 1.00 0.07 H new ATOM 0 HB2 LEU A 364 -10.415 0.588 -6.185 1.00 0.06 H new ATOM 0 HB3 LEU A 364 -9.181 -0.422 -5.457 1.00 0.06 H new ATOM 0 HG LEU A 364 -8.407 -0.745 -7.913 1.00 0.07 H new ATOM 0 HD11 LEU A 364 -8.680 1.320 -9.260 1.00 0.07 H new ATOM 0 HD12 LEU A 364 -10.223 0.482 -8.971 1.00 0.07 H new ATOM 0 HD13 LEU A 364 -9.813 1.939 -8.036 1.00 0.07 H new ATOM 0 HD21 LEU A 364 -6.896 1.177 -7.737 1.00 0.06 H new ATOM 0 HD22 LEU A 364 -7.885 1.805 -6.397 1.00 0.06 H new ATOM 0 HD23 LEU A 364 -7.028 0.256 -6.221 1.00 0.06 H new ATOM 443 N GLU A 365 -8.858 -3.157 -7.163 1.00 0.07 N ATOM 444 CA GLU A 365 -8.138 -4.415 -6.965 1.00 0.07 C ATOM 445 C GLU A 365 -6.920 -4.434 -7.832 1.00 0.07 C ATOM 446 O GLU A 365 -7.022 -4.298 -9.051 1.00 0.09 O ATOM 447 CB GLU A 365 -8.957 -5.641 -7.341 1.00 0.09 C ATOM 448 CG GLU A 365 -10.305 -5.316 -7.941 1.00 0.22 C ATOM 449 CD GLU A 365 -10.680 -6.247 -9.067 1.00 0.26 C ATOM 450 OE1 GLU A 365 -11.127 -7.379 -8.790 1.00 0.61 O ATOM 451 OE2 GLU A 365 -10.523 -5.851 -10.238 1.00 0.60 O1- ATOM 0 H GLU A 365 -8.563 -2.639 -7.991 1.00 0.07 H new ATOM 0 HA GLU A 365 -7.900 -4.461 -5.902 1.00 0.07 H new ATOM 0 HB2 GLU A 365 -8.389 -6.241 -8.052 1.00 0.09 H new ATOM 0 HB3 GLU A 365 -9.104 -6.254 -6.452 1.00 0.09 H new ATOM 0 HG2 GLU A 365 -11.067 -5.368 -7.163 1.00 0.22 H new ATOM 0 HG3 GLU A 365 -10.296 -4.291 -8.310 1.00 0.22 H new ATOM 458 N THR A 366 -5.778 -4.589 -7.231 1.00 0.06 N ATOM 459 CA THR A 366 -4.587 -4.746 -7.994 1.00 0.06 C ATOM 460 C THR A 366 -3.575 -5.607 -7.296 1.00 0.06 C ATOM 461 O THR A 366 -3.678 -5.911 -6.120 1.00 0.07 O ATOM 462 CB THR A 366 -4.013 -3.382 -8.330 1.00 0.07 C ATOM 463 OG1 THR A 366 -2.780 -3.506 -9.025 1.00 0.09 O ATOM 464 CG2 THR A 366 -3.827 -2.593 -7.069 1.00 0.07 C ATOM 0 H THR A 366 -5.651 -4.609 -6.219 1.00 0.06 H new ATOM 0 HA THR A 366 -4.843 -5.263 -8.919 1.00 0.06 H new ATOM 0 HB THR A 366 -4.712 -2.859 -8.983 1.00 0.07 H new ATOM 0 HG1 THR A 366 -2.946 -3.857 -9.925 1.00 0.09 H new ATOM 0 HG21 THR A 366 -3.415 -1.613 -7.310 1.00 0.07 H new ATOM 0 HG22 THR A 366 -4.789 -2.469 -6.572 1.00 0.07 H new ATOM 0 HG23 THR A 366 -3.142 -3.122 -6.407 1.00 0.07 H new ATOM 472 N ASP A 367 -2.616 -5.984 -8.071 1.00 0.07 N ATOM 473 CA ASP A 367 -1.492 -6.744 -7.658 1.00 0.10 C ATOM 474 C ASP A 367 -0.473 -5.791 -7.109 1.00 0.10 C ATOM 475 O ASP A 367 -0.323 -4.676 -7.610 1.00 0.11 O ATOM 476 CB ASP A 367 -0.956 -7.486 -8.870 1.00 0.15 C ATOM 477 CG ASP A 367 -0.890 -6.641 -10.140 1.00 1.14 C ATOM 478 OD1 ASP A 367 -1.919 -6.072 -10.547 1.00 1.88 O ATOM 479 OD2 ASP A 367 0.210 -6.520 -10.726 1.00 1.54 O1- ATOM 0 H ASP A 367 -2.597 -5.756 -9.065 1.00 0.07 H new ATOM 0 HA ASP A 367 -1.748 -7.472 -6.888 1.00 0.10 H new ATOM 0 HB2 ASP A 367 0.043 -7.858 -8.642 1.00 0.15 H new ATOM 0 HB3 ASP A 367 -1.585 -8.356 -9.058 1.00 0.15 H new ATOM 484 N ILE A 368 0.153 -6.203 -6.035 1.00 0.09 N ATOM 485 CA ILE A 368 1.097 -5.366 -5.333 1.00 0.09 C ATOM 486 C ILE A 368 2.282 -6.159 -4.830 1.00 0.09 C ATOM 487 O ILE A 368 2.428 -7.340 -5.125 1.00 0.11 O ATOM 488 CB ILE A 368 0.442 -4.673 -4.139 1.00 0.08 C ATOM 489 CG1 ILE A 368 -0.249 -5.711 -3.275 1.00 0.08 C ATOM 490 CG2 ILE A 368 -0.521 -3.602 -4.604 1.00 0.08 C ATOM 491 CD1 ILE A 368 0.512 -6.042 -2.019 1.00 0.11 C ATOM 0 H ILE A 368 0.024 -7.127 -5.622 1.00 0.09 H new ATOM 0 HA ILE A 368 1.439 -4.621 -6.052 1.00 0.09 H new ATOM 0 HB ILE A 368 1.206 -4.177 -3.541 1.00 0.08 H new ATOM 0 HG12 ILE A 368 -1.241 -5.348 -3.006 1.00 0.08 H new ATOM 0 HG13 ILE A 368 -0.390 -6.622 -3.857 1.00 0.08 H new ATOM 0 HG21 ILE A 368 -0.976 -3.121 -3.738 1.00 0.08 H new ATOM 0 HG22 ILE A 368 0.018 -2.858 -5.191 1.00 0.08 H new ATOM 0 HG23 ILE A 368 -1.299 -4.054 -5.219 1.00 0.08 H new ATOM 0 HD11 ILE A 368 -0.037 -6.790 -1.447 1.00 0.11 H new ATOM 0 HD12 ILE A 368 1.494 -6.435 -2.282 1.00 0.11 H new ATOM 0 HD13 ILE A 368 0.631 -5.141 -1.417 1.00 0.11 H new ATOM 503 N VAL A 369 3.108 -5.495 -4.048 1.00 0.09 N ATOM 504 CA VAL A 369 4.238 -6.126 -3.396 1.00 0.09 C ATOM 505 C VAL A 369 4.621 -5.320 -2.165 1.00 0.09 C ATOM 506 O VAL A 369 4.903 -4.130 -2.246 1.00 0.11 O ATOM 507 CB VAL A 369 5.443 -6.372 -4.347 1.00 0.10 C ATOM 508 CG1 VAL A 369 5.427 -5.441 -5.531 1.00 0.10 C ATOM 509 CG2 VAL A 369 6.767 -6.258 -3.616 1.00 0.12 C ATOM 0 H VAL A 369 3.015 -4.500 -3.846 1.00 0.09 H new ATOM 0 HA VAL A 369 3.932 -7.125 -3.084 1.00 0.09 H new ATOM 0 HB VAL A 369 5.338 -7.392 -4.716 1.00 0.10 H new ATOM 0 HG11 VAL A 369 6.287 -5.648 -6.168 1.00 0.10 H new ATOM 0 HG12 VAL A 369 4.509 -5.591 -6.099 1.00 0.10 H new ATOM 0 HG13 VAL A 369 5.474 -4.409 -5.183 1.00 0.10 H new ATOM 0 HG21 VAL A 369 7.585 -6.436 -4.314 1.00 0.12 H new ATOM 0 HG22 VAL A 369 6.864 -5.259 -3.192 1.00 0.12 H new ATOM 0 HG23 VAL A 369 6.806 -6.997 -2.816 1.00 0.12 H new ATOM 519 N SER A 370 4.556 -5.976 -1.020 1.00 0.09 N ATOM 520 CA SER A 370 4.593 -5.291 0.257 1.00 0.10 C ATOM 521 C SER A 370 5.388 -6.034 1.324 1.00 0.10 C ATOM 522 O SER A 370 5.315 -7.257 1.402 1.00 0.10 O ATOM 523 CB SER A 370 3.173 -5.121 0.733 1.00 0.12 C ATOM 524 OG SER A 370 3.127 -4.820 2.106 1.00 0.70 O ATOM 0 H SER A 370 4.477 -6.991 -0.950 1.00 0.09 H new ATOM 0 HA SER A 370 5.096 -4.336 0.105 1.00 0.10 H new ATOM 0 HB2 SER A 370 2.691 -4.324 0.167 1.00 0.12 H new ATOM 0 HB3 SER A 370 2.611 -6.034 0.540 1.00 0.12 H new ATOM 0 HG SER A 370 3.754 -4.093 2.303 1.00 0.70 H new ATOM 530 N GLY A 371 6.072 -5.302 2.176 1.00 0.09 N ATOM 531 CA GLY A 371 6.514 -5.876 3.430 1.00 0.10 C ATOM 532 C GLY A 371 7.627 -6.916 3.355 1.00 0.11 C ATOM 533 O GLY A 371 7.487 -7.977 3.965 1.00 0.13 O ATOM 0 H GLY A 371 6.331 -4.326 2.029 1.00 0.09 H new ATOM 0 HA2 GLY A 371 6.850 -5.065 4.075 1.00 0.10 H new ATOM 0 HA3 GLY A 371 5.653 -6.334 3.916 1.00 0.10 H new ATOM 537 N LYS A 372 8.687 -6.653 2.588 1.00 0.11 N ATOM 538 CA LYS A 372 9.771 -7.591 2.381 1.00 0.14 C ATOM 539 C LYS A 372 10.253 -8.172 3.690 1.00 0.16 C ATOM 540 O LYS A 372 10.255 -7.501 4.708 1.00 0.19 O ATOM 541 CB LYS A 372 10.919 -6.866 1.707 1.00 0.17 C ATOM 542 CG LYS A 372 11.479 -5.712 2.484 1.00 0.22 C ATOM 543 CD LYS A 372 12.944 -5.882 2.584 1.00 0.30 C ATOM 544 CE LYS A 372 13.700 -4.713 2.004 1.00 0.47 C ATOM 545 NZ LYS A 372 15.169 -4.944 1.996 1.00 0.48 N1+ ATOM 0 H LYS A 372 8.810 -5.770 2.092 1.00 0.11 H new ATOM 0 HA LYS A 372 9.409 -8.409 1.758 1.00 0.14 H new ATOM 0 HB2 LYS A 372 11.720 -7.581 1.518 1.00 0.17 H new ATOM 0 HB3 LYS A 372 10.580 -6.502 0.737 1.00 0.17 H new ATOM 0 HG2 LYS A 372 11.240 -4.771 1.990 1.00 0.22 H new ATOM 0 HG3 LYS A 372 11.033 -5.672 3.478 1.00 0.22 H new ATOM 0 HD2 LYS A 372 13.222 -6.007 3.631 1.00 0.30 H new ATOM 0 HD3 LYS A 372 13.237 -6.794 2.065 1.00 0.30 H new ATOM 0 HE2 LYS A 372 13.357 -4.529 0.986 1.00 0.47 H new ATOM 0 HE3 LYS A 372 13.478 -3.816 2.582 1.00 0.47 H new ATOM 0 HZ1 LYS A 372 15.648 -4.116 1.589 1.00 0.48 H new ATOM 0 HZ2 LYS A 372 15.502 -5.093 2.970 1.00 0.48 H new ATOM 0 HZ3 LYS A 372 15.385 -5.785 1.423 1.00 0.48 H new ATOM 559 N PRO A 373 10.628 -9.446 3.643 1.00 0.18 N ATOM 560 CA PRO A 373 10.992 -10.279 4.796 1.00 0.20 C ATOM 561 C PRO A 373 11.744 -9.560 5.925 1.00 0.20 C ATOM 562 O PRO A 373 11.598 -9.907 7.103 1.00 0.22 O ATOM 563 CB PRO A 373 11.862 -11.308 4.115 1.00 0.23 C ATOM 564 CG PRO A 373 11.096 -11.582 2.889 1.00 0.22 C ATOM 565 CD PRO A 373 10.721 -10.221 2.400 1.00 0.19 C ATOM 0 HA PRO A 373 10.120 -10.656 5.330 1.00 0.20 H new ATOM 0 HB2 PRO A 373 12.858 -10.923 3.898 1.00 0.23 H new ATOM 0 HB3 PRO A 373 11.992 -12.202 4.725 1.00 0.23 H new ATOM 0 HG2 PRO A 373 11.694 -12.122 2.155 1.00 0.22 H new ATOM 0 HG3 PRO A 373 10.216 -12.192 3.094 1.00 0.22 H new ATOM 0 HD2 PRO A 373 11.472 -9.813 1.723 1.00 0.19 H new ATOM 0 HD3 PRO A 373 9.775 -10.232 1.858 1.00 0.19 H new ATOM 573 N THR A 374 12.541 -8.561 5.558 1.00 0.20 N ATOM 574 CA THR A 374 13.330 -7.804 6.508 1.00 0.23 C ATOM 575 C THR A 374 12.468 -6.770 7.228 1.00 0.20 C ATOM 576 O THR A 374 12.656 -6.507 8.415 1.00 0.23 O ATOM 577 CB THR A 374 14.496 -7.090 5.793 1.00 0.28 C ATOM 578 OG1 THR A 374 14.124 -5.763 5.390 1.00 0.28 O ATOM 579 CG2 THR A 374 14.912 -7.869 4.561 1.00 0.30 C ATOM 0 H THR A 374 12.654 -8.258 4.591 1.00 0.20 H new ATOM 0 HA THR A 374 13.731 -8.503 7.242 1.00 0.23 H new ATOM 0 HB THR A 374 15.325 -7.031 6.498 1.00 0.28 H new ATOM 0 HG1 THR A 374 14.882 -5.333 4.941 1.00 0.28 H new ATOM 0 HG21 THR A 374 15.735 -7.354 4.066 1.00 0.30 H new ATOM 0 HG22 THR A 374 15.233 -8.869 4.854 1.00 0.30 H new ATOM 0 HG23 THR A 374 14.067 -7.945 3.876 1.00 0.30 H new ATOM 587 N THR A 375 11.529 -6.182 6.496 1.00 0.18 N ATOM 588 CA THR A 375 10.643 -5.178 7.051 1.00 0.18 C ATOM 589 C THR A 375 9.235 -5.351 6.489 1.00 0.14 C ATOM 590 O THR A 375 8.771 -4.592 5.637 1.00 0.13 O ATOM 591 CB THR A 375 11.151 -3.755 6.795 1.00 0.23 C ATOM 592 OG1 THR A 375 12.565 -3.677 7.052 1.00 0.30 O ATOM 593 CG2 THR A 375 10.409 -2.774 7.684 1.00 0.27 C ATOM 0 H THR A 375 11.365 -6.388 5.511 1.00 0.18 H new ATOM 0 HA THR A 375 10.620 -5.322 8.131 1.00 0.18 H new ATOM 0 HB THR A 375 10.969 -3.499 5.751 1.00 0.23 H new ATOM 0 HG1 THR A 375 13.045 -4.245 6.414 1.00 0.30 H new ATOM 0 HG21 THR A 375 10.775 -1.765 7.497 1.00 0.27 H new ATOM 0 HG22 THR A 375 9.342 -2.820 7.465 1.00 0.27 H new ATOM 0 HG23 THR A 375 10.576 -3.032 8.730 1.00 0.27 H new ATOM 601 N PRO A 376 8.584 -6.400 6.962 1.00 0.13 N ATOM 602 CA PRO A 376 7.253 -6.834 6.535 1.00 0.11 C ATOM 603 C PRO A 376 6.134 -5.905 6.950 1.00 0.11 C ATOM 604 O PRO A 376 6.273 -5.065 7.842 1.00 0.15 O ATOM 605 CB PRO A 376 7.082 -8.166 7.247 1.00 0.14 C ATOM 606 CG PRO A 376 8.447 -8.564 7.603 1.00 0.16 C ATOM 607 CD PRO A 376 9.132 -7.302 7.949 1.00 0.15 C ATOM 0 HA PRO A 376 7.193 -6.870 5.447 1.00 0.11 H new ATOM 0 HB2 PRO A 376 6.453 -8.066 8.132 1.00 0.14 H new ATOM 0 HB3 PRO A 376 6.608 -8.905 6.601 1.00 0.14 H new ATOM 0 HG2 PRO A 376 8.450 -9.258 8.443 1.00 0.16 H new ATOM 0 HG3 PRO A 376 8.941 -9.067 6.772 1.00 0.16 H new ATOM 0 HD2 PRO A 376 8.911 -6.980 8.967 1.00 0.15 H new ATOM 0 HD3 PRO A 376 10.216 -7.388 7.870 1.00 0.15 H new ATOM 615 N THR A 377 5.015 -6.088 6.270 1.00 0.08 N ATOM 616 CA THR A 377 3.805 -5.370 6.549 1.00 0.08 C ATOM 617 C THR A 377 3.157 -5.886 7.826 1.00 0.08 C ATOM 618 O THR A 377 3.286 -7.056 8.188 1.00 0.11 O ATOM 619 CB THR A 377 2.816 -5.529 5.388 1.00 0.09 C ATOM 620 OG1 THR A 377 3.427 -6.308 4.349 1.00 0.12 O ATOM 621 CG2 THR A 377 2.375 -4.190 4.837 1.00 0.11 C ATOM 0 H THR A 377 4.931 -6.751 5.500 1.00 0.08 H new ATOM 0 HA THR A 377 4.058 -4.317 6.675 1.00 0.08 H new ATOM 0 HB THR A 377 1.928 -6.037 5.765 1.00 0.09 H new ATOM 0 HG1 THR A 377 3.499 -5.768 3.535 1.00 0.12 H new ATOM 0 HG21 THR A 377 1.675 -4.347 4.016 1.00 0.11 H new ATOM 0 HG22 THR A 377 1.888 -3.615 5.625 1.00 0.11 H new ATOM 0 HG23 THR A 377 3.244 -3.642 4.473 1.00 0.11 H new ATOM 629 N PRO A 378 2.417 -4.998 8.477 1.00 0.07 N ATOM 630 CA PRO A 378 1.822 -5.206 9.790 1.00 0.07 C ATOM 631 C PRO A 378 0.544 -6.029 9.752 1.00 0.07 C ATOM 632 O PRO A 378 0.399 -6.984 10.512 1.00 0.09 O ATOM 633 CB PRO A 378 1.493 -3.788 10.255 1.00 0.08 C ATOM 634 CG PRO A 378 1.844 -2.868 9.137 1.00 0.09 C ATOM 635 CD PRO A 378 2.082 -3.698 7.941 1.00 0.08 C ATOM 0 HA PRO A 378 2.499 -5.760 10.441 1.00 0.07 H new ATOM 0 HB2 PRO A 378 0.436 -3.701 10.508 1.00 0.08 H new ATOM 0 HB3 PRO A 378 2.058 -3.536 11.153 1.00 0.08 H new ATOM 0 HG2 PRO A 378 1.037 -2.158 8.957 1.00 0.09 H new ATOM 0 HG3 PRO A 378 2.732 -2.286 9.383 1.00 0.09 H new ATOM 0 HD2 PRO A 378 1.198 -3.744 7.305 1.00 0.08 H new ATOM 0 HD3 PRO A 378 2.892 -3.297 7.332 1.00 0.08 H new ATOM 643 N ALA A 379 -0.378 -5.641 8.867 1.00 0.06 N ATOM 644 CA ALA A 379 -1.676 -6.282 8.746 1.00 0.07 C ATOM 645 C ALA A 379 -2.565 -6.072 9.961 1.00 0.07 C ATOM 646 O ALA A 379 -2.194 -6.360 11.096 1.00 0.09 O ATOM 647 CB ALA A 379 -1.504 -7.733 8.396 1.00 0.08 C ATOM 0 H ALA A 379 -0.238 -4.869 8.215 1.00 0.06 H new ATOM 0 HA ALA A 379 -2.208 -5.796 7.929 1.00 0.07 H new ATOM 0 HB1 ALA A 379 -2.483 -8.204 8.308 1.00 0.08 H new ATOM 0 HB2 ALA A 379 -0.973 -7.818 7.448 1.00 0.08 H new ATOM 0 HB3 ALA A 379 -0.931 -8.231 9.178 1.00 0.08 H new ATOM 653 N GLY A 380 -3.747 -5.534 9.690 1.00 0.08 N ATOM 654 CA GLY A 380 -4.694 -5.221 10.728 1.00 0.10 C ATOM 655 C GLY A 380 -5.743 -4.264 10.242 1.00 0.10 C ATOM 656 O GLY A 380 -6.427 -4.533 9.257 1.00 0.11 O ATOM 0 H GLY A 380 -4.066 -5.307 8.748 1.00 0.08 H new ATOM 0 HA2 GLY A 380 -5.169 -6.138 11.077 1.00 0.10 H new ATOM 0 HA3 GLY A 380 -4.171 -4.788 11.581 1.00 0.10 H new ATOM 660 N VAL A 381 -5.847 -3.142 10.918 1.00 0.11 N ATOM 661 CA VAL A 381 -6.782 -2.113 10.562 1.00 0.12 C ATOM 662 C VAL A 381 -6.061 -0.774 10.513 1.00 0.12 C ATOM 663 O VAL A 381 -5.666 -0.209 11.532 1.00 0.21 O ATOM 664 CB VAL A 381 -7.965 -2.089 11.541 1.00 0.16 C ATOM 665 CG1 VAL A 381 -7.529 -1.801 12.973 1.00 0.89 C ATOM 666 CG2 VAL A 381 -9.037 -1.109 11.079 1.00 0.87 C ATOM 0 H VAL A 381 -5.278 -2.922 11.736 1.00 0.11 H new ATOM 0 HA VAL A 381 -7.193 -2.320 9.574 1.00 0.12 H new ATOM 0 HB VAL A 381 -8.398 -3.089 11.542 1.00 0.16 H new ATOM 0 HG11 VAL A 381 -8.402 -1.795 13.625 1.00 0.89 H new ATOM 0 HG12 VAL A 381 -6.834 -2.573 13.304 1.00 0.89 H new ATOM 0 HG13 VAL A 381 -7.038 -0.829 13.015 1.00 0.89 H new ATOM 0 HG21 VAL A 381 -9.863 -1.112 11.790 1.00 0.87 H new ATOM 0 HG22 VAL A 381 -8.613 -0.107 11.020 1.00 0.87 H new ATOM 0 HG23 VAL A 381 -9.403 -1.407 10.096 1.00 0.87 H new ATOM 676 N PHE A 382 -5.852 -0.297 9.313 1.00 0.10 N ATOM 677 CA PHE A 382 -5.039 0.873 9.099 1.00 0.10 C ATOM 678 C PHE A 382 -5.919 2.015 8.627 1.00 0.09 C ATOM 679 O PHE A 382 -7.073 1.789 8.273 1.00 0.11 O ATOM 680 CB PHE A 382 -3.986 0.559 8.043 1.00 0.16 C ATOM 681 CG PHE A 382 -3.194 -0.670 8.333 1.00 0.11 C ATOM 682 CD1 PHE A 382 -2.054 -0.599 9.116 1.00 0.14 C ATOM 683 CD2 PHE A 382 -3.585 -1.889 7.827 1.00 0.08 C ATOM 684 CE1 PHE A 382 -1.323 -1.723 9.388 1.00 0.15 C ATOM 685 CE2 PHE A 382 -2.854 -3.021 8.097 1.00 0.08 C ATOM 686 CZ PHE A 382 -1.737 -2.947 8.861 1.00 0.10 C ATOM 0 H PHE A 382 -6.238 -0.705 8.461 1.00 0.10 H new ATOM 0 HA PHE A 382 -4.547 1.161 10.028 1.00 0.10 H new ATOM 0 HB2 PHE A 382 -4.477 0.445 7.076 1.00 0.16 H new ATOM 0 HB3 PHE A 382 -3.306 1.407 7.957 1.00 0.16 H new ATOM 0 HD1 PHE A 382 -1.739 0.353 9.516 1.00 0.14 H new ATOM 0 HD2 PHE A 382 -4.472 -1.956 7.214 1.00 0.08 H new ATOM 0 HE1 PHE A 382 -0.437 -1.664 10.003 1.00 0.15 H new ATOM 0 HE2 PHE A 382 -3.171 -3.974 7.699 1.00 0.08 H new ATOM 0 HZ PHE A 382 -1.164 -3.840 9.063 1.00 0.10 H new ATOM 696 N TYR A 383 -5.391 3.228 8.623 1.00 0.08 N ATOM 697 CA TYR A 383 -6.134 4.380 8.122 1.00 0.09 C ATOM 698 C TYR A 383 -5.201 5.392 7.527 1.00 0.09 C ATOM 699 O TYR A 383 -4.155 5.673 8.105 1.00 0.11 O ATOM 700 CB TYR A 383 -6.937 5.086 9.212 1.00 0.12 C ATOM 701 CG TYR A 383 -7.929 4.211 9.949 1.00 0.25 C ATOM 702 CD1 TYR A 383 -9.142 3.865 9.365 1.00 0.39 C ATOM 703 CD2 TYR A 383 -7.658 3.730 11.222 1.00 0.53 C ATOM 704 CE1 TYR A 383 -10.053 3.066 10.029 1.00 0.51 C ATOM 705 CE2 TYR A 383 -8.565 2.934 11.892 1.00 0.64 C ATOM 706 CZ TYR A 383 -9.745 2.604 11.311 1.00 0.54 C ATOM 707 OH TYR A 383 -10.659 1.801 11.956 1.00 0.69 O ATOM 0 H TYR A 383 -4.453 3.444 8.960 1.00 0.08 H new ATOM 0 HA TYR A 383 -6.821 3.985 7.373 1.00 0.09 H new ATOM 0 HB2 TYR A 383 -6.242 5.510 9.937 1.00 0.12 H new ATOM 0 HB3 TYR A 383 -7.476 5.920 8.762 1.00 0.12 H new ATOM 0 HD1 TYR A 383 -9.377 4.227 8.375 1.00 0.39 H new ATOM 0 HD2 TYR A 383 -6.721 3.983 11.697 1.00 0.53 H new ATOM 0 HE1 TYR A 383 -10.991 2.802 9.563 1.00 0.51 H new ATOM 0 HE2 TYR A 383 -8.334 2.572 12.883 1.00 0.64 H new ATOM 0 HH TYR A 383 -10.312 1.554 12.838 1.00 0.69 H new ATOM 717 N VAL A 384 -5.578 5.968 6.406 1.00 0.09 N ATOM 718 CA VAL A 384 -4.769 7.009 5.834 1.00 0.10 C ATOM 719 C VAL A 384 -4.890 8.288 6.652 1.00 0.11 C ATOM 720 O VAL A 384 -5.988 8.810 6.874 1.00 0.13 O ATOM 721 CB VAL A 384 -5.084 7.265 4.341 1.00 0.11 C ATOM 722 CG1 VAL A 384 -6.550 7.067 4.046 1.00 0.12 C ATOM 723 CG2 VAL A 384 -4.661 8.657 3.936 1.00 0.14 C ATOM 0 H VAL A 384 -6.424 5.736 5.885 1.00 0.09 H new ATOM 0 HA VAL A 384 -3.735 6.666 5.871 1.00 0.10 H new ATOM 0 HB VAL A 384 -4.517 6.539 3.759 1.00 0.11 H new ATOM 0 HG11 VAL A 384 -6.737 7.255 2.989 1.00 0.12 H new ATOM 0 HG12 VAL A 384 -6.835 6.043 4.289 1.00 0.12 H new ATOM 0 HG13 VAL A 384 -7.139 7.760 4.647 1.00 0.12 H new ATOM 0 HG21 VAL A 384 -4.892 8.815 2.883 1.00 0.14 H new ATOM 0 HG22 VAL A 384 -5.197 9.390 4.539 1.00 0.14 H new ATOM 0 HG23 VAL A 384 -3.589 8.772 4.094 1.00 0.14 H new ATOM 733 N TRP A 385 -3.751 8.773 7.122 1.00 0.12 N ATOM 734 CA TRP A 385 -3.729 9.932 7.991 1.00 0.14 C ATOM 735 C TRP A 385 -3.150 11.148 7.309 1.00 0.16 C ATOM 736 O TRP A 385 -2.997 12.209 7.913 1.00 0.19 O ATOM 737 CB TRP A 385 -2.941 9.653 9.249 1.00 0.16 C ATOM 738 CG TRP A 385 -1.614 9.029 8.985 1.00 0.15 C ATOM 739 CD1 TRP A 385 -1.364 7.712 8.796 1.00 0.14 C ATOM 740 CD2 TRP A 385 -0.360 9.698 8.886 1.00 0.15 C ATOM 741 NE1 TRP A 385 -0.017 7.512 8.595 1.00 0.14 N ATOM 742 CE2 TRP A 385 0.621 8.721 8.651 1.00 0.15 C ATOM 743 CE3 TRP A 385 0.025 11.029 8.979 1.00 0.17 C ATOM 744 CZ2 TRP A 385 1.968 9.041 8.509 1.00 0.15 C ATOM 745 CZ3 TRP A 385 1.352 11.348 8.839 1.00 0.18 C ATOM 746 CH2 TRP A 385 2.316 10.359 8.608 1.00 0.17 C ATOM 0 H TRP A 385 -2.833 8.380 6.915 1.00 0.12 H new ATOM 0 HA TRP A 385 -4.768 10.141 8.246 1.00 0.14 H new ATOM 0 HB2 TRP A 385 -2.795 10.586 9.793 1.00 0.16 H new ATOM 0 HB3 TRP A 385 -3.522 8.995 9.896 1.00 0.16 H new ATOM 0 HD1 TRP A 385 -2.112 6.933 8.802 1.00 0.14 H new ATOM 0 HE1 TRP A 385 0.432 6.611 8.431 1.00 0.14 H new ATOM 0 HE3 TRP A 385 -0.709 11.801 9.159 1.00 0.17 H new ATOM 0 HZ2 TRP A 385 2.710 8.277 8.328 1.00 0.15 H new ATOM 0 HZ3 TRP A 385 1.659 12.381 8.908 1.00 0.18 H new ATOM 0 HH2 TRP A 385 3.353 10.643 8.506 1.00 0.17 H new ATOM 757 N ASN A 386 -2.844 10.987 6.052 1.00 0.16 N ATOM 758 CA ASN A 386 -2.295 12.061 5.254 1.00 0.21 C ATOM 759 C ASN A 386 -2.428 11.686 3.802 1.00 0.20 C ATOM 760 O ASN A 386 -2.401 10.515 3.455 1.00 0.18 O ATOM 761 CB ASN A 386 -0.828 12.296 5.598 1.00 0.24 C ATOM 762 CG ASN A 386 -0.276 13.547 4.971 1.00 0.32 C ATOM 763 OD1 ASN A 386 0.314 13.406 3.808 1.00 0.41 O flip ATOM 764 ND2 ASN A 386 -0.375 14.635 5.532 1.00 0.31 N flip ATOM 0 H ASN A 386 -2.966 10.110 5.546 1.00 0.16 H new ATOM 0 HA ASN A 386 -2.839 12.983 5.460 1.00 0.21 H new ATOM 0 HB2 ASN A 386 -0.719 12.359 6.681 1.00 0.24 H new ATOM 0 HB3 ASN A 386 -0.240 11.440 5.268 1.00 0.24 H new ATOM 0 HD21 ASN A 386 -0.842 14.702 6.437 1.00 0.31 H new ATOM 0 HD22 ASN A 386 0.009 15.472 5.093 1.00 0.31 H new ATOM 771 N LYS A 387 -2.610 12.665 2.963 1.00 0.22 N ATOM 772 CA LYS A 387 -2.739 12.410 1.562 1.00 0.22 C ATOM 773 C LYS A 387 -1.612 13.123 0.839 1.00 0.19 C ATOM 774 O LYS A 387 -1.477 14.348 0.879 1.00 0.24 O ATOM 775 CB LYS A 387 -4.127 12.817 1.071 1.00 0.32 C ATOM 776 CG LYS A 387 -4.255 14.244 0.645 1.00 1.09 C ATOM 777 CD LYS A 387 -5.625 14.745 0.980 1.00 0.96 C ATOM 778 CE LYS A 387 -6.675 13.897 0.344 1.00 0.57 C ATOM 779 NZ LYS A 387 -7.688 14.702 -0.389 1.00 0.67 N1+ ATOM 0 H LYS A 387 -2.672 13.648 3.228 1.00 0.22 H new ATOM 0 HA LYS A 387 -2.651 11.344 1.350 1.00 0.22 H new ATOM 0 HB2 LYS A 387 -4.401 12.177 0.232 1.00 0.32 H new ATOM 0 HB3 LYS A 387 -4.847 12.625 1.866 1.00 0.32 H new ATOM 0 HG2 LYS A 387 -3.502 14.853 1.145 1.00 1.09 H new ATOM 0 HG3 LYS A 387 -4.076 14.332 -0.427 1.00 1.09 H new ATOM 0 HD2 LYS A 387 -5.761 14.748 2.062 1.00 0.96 H new ATOM 0 HD3 LYS A 387 -5.732 15.776 0.643 1.00 0.96 H new ATOM 0 HE2 LYS A 387 -6.204 13.196 -0.345 1.00 0.57 H new ATOM 0 HE3 LYS A 387 -7.173 13.304 1.111 1.00 0.57 H new ATOM 0 HZ1 LYS A 387 -8.621 14.251 -0.300 1.00 0.67 H new ATOM 0 HZ2 LYS A 387 -7.727 15.660 0.013 1.00 0.67 H new ATOM 0 HZ3 LYS A 387 -7.426 14.758 -1.394 1.00 0.67 H new ATOM 793 N GLU A 388 -0.769 12.330 0.251 1.00 0.18 N ATOM 794 CA GLU A 388 0.424 12.794 -0.375 1.00 0.18 C ATOM 795 C GLU A 388 0.406 12.465 -1.835 1.00 0.23 C ATOM 796 O GLU A 388 0.036 11.386 -2.251 1.00 0.38 O ATOM 797 CB GLU A 388 1.612 12.185 0.337 1.00 0.16 C ATOM 798 CG GLU A 388 2.350 13.201 1.161 1.00 0.16 C ATOM 799 CD GLU A 388 3.457 12.609 2.006 1.00 0.20 C ATOM 800 OE1 GLU A 388 4.591 12.475 1.507 1.00 0.32 O ATOM 801 OE2 GLU A 388 3.202 12.292 3.186 1.00 0.32 O1- ATOM 0 H GLU A 388 -0.898 11.320 0.194 1.00 0.18 H new ATOM 0 HA GLU A 388 0.497 13.879 -0.300 1.00 0.18 H new ATOM 0 HB2 GLU A 388 1.273 11.373 0.980 1.00 0.16 H new ATOM 0 HB3 GLU A 388 2.291 11.749 -0.396 1.00 0.16 H new ATOM 0 HG2 GLU A 388 2.774 13.955 0.498 1.00 0.16 H new ATOM 0 HG3 GLU A 388 1.641 13.712 1.812 1.00 0.16 H new ATOM 808 N GLU A 389 0.731 13.452 -2.600 1.00 0.17 N ATOM 809 CA GLU A 389 0.717 13.363 -4.019 1.00 0.19 C ATOM 810 C GLU A 389 1.999 13.899 -4.568 1.00 0.21 C ATOM 811 O GLU A 389 2.455 14.965 -4.153 1.00 0.26 O ATOM 812 CB GLU A 389 -0.432 14.187 -4.513 1.00 0.21 C ATOM 813 CG GLU A 389 -1.765 13.710 -4.023 1.00 0.30 C ATOM 814 CD GLU A 389 -2.925 14.483 -4.619 1.00 1.06 C ATOM 815 OE1 GLU A 389 -3.221 14.302 -5.820 1.00 1.96 O1- ATOM 816 OE2 GLU A 389 -3.539 15.293 -3.894 1.00 1.18 O ATOM 0 H GLU A 389 1.020 14.364 -2.247 1.00 0.17 H new ATOM 0 HA GLU A 389 0.610 12.327 -4.340 1.00 0.19 H new ATOM 0 HB2 GLU A 389 -0.288 15.221 -4.200 1.00 0.21 H new ATOM 0 HB3 GLU A 389 -0.431 14.181 -5.603 1.00 0.21 H new ATOM 0 HG2 GLU A 389 -1.878 12.653 -4.264 1.00 0.30 H new ATOM 0 HG3 GLU A 389 -1.799 13.795 -2.937 1.00 0.30 H new ATOM 823 N ASP A 390 2.557 13.174 -5.494 1.00 0.20 N ATOM 824 CA ASP A 390 3.886 13.476 -6.003 1.00 0.19 C ATOM 825 C ASP A 390 4.818 13.581 -4.810 1.00 0.21 C ATOM 826 O ASP A 390 5.662 14.472 -4.683 1.00 0.40 O ATOM 827 CB ASP A 390 3.876 14.767 -6.798 1.00 0.24 C ATOM 828 CG ASP A 390 5.216 15.075 -7.440 1.00 0.26 C ATOM 829 OD1 ASP A 390 5.703 14.239 -8.231 1.00 0.38 O1- ATOM 830 OD2 ASP A 390 5.798 16.143 -7.152 1.00 0.36 O ATOM 0 H ASP A 390 2.117 12.360 -5.922 1.00 0.20 H new ATOM 0 HA ASP A 390 4.224 12.689 -6.678 1.00 0.19 H new ATOM 0 HB2 ASP A 390 3.113 14.704 -7.574 1.00 0.24 H new ATOM 0 HB3 ASP A 390 3.596 15.590 -6.141 1.00 0.24 H new ATOM 835 N ALA A 391 4.574 12.667 -3.906 1.00 0.15 N ATOM 836 CA ALA A 391 5.212 12.640 -2.629 1.00 0.16 C ATOM 837 C ALA A 391 6.402 11.726 -2.623 1.00 0.15 C ATOM 838 O ALA A 391 6.627 10.942 -3.543 1.00 0.16 O ATOM 839 CB ALA A 391 4.206 12.205 -1.586 1.00 0.16 C ATOM 0 H ALA A 391 3.910 11.906 -4.048 1.00 0.15 H new ATOM 0 HA ALA A 391 5.576 13.642 -2.400 1.00 0.16 H new ATOM 0 HB1 ALA A 391 4.684 12.181 -0.607 1.00 0.16 H new ATOM 0 HB2 ALA A 391 3.374 12.909 -1.567 1.00 0.16 H new ATOM 0 HB3 ALA A 391 3.834 11.211 -1.832 1.00 0.16 H new ATOM 845 N THR A 392 7.140 11.828 -1.559 1.00 0.16 N ATOM 846 CA THR A 392 8.337 11.068 -1.392 1.00 0.17 C ATOM 847 C THR A 392 8.293 10.322 -0.085 1.00 0.16 C ATOM 848 O THR A 392 8.382 10.888 1.006 1.00 0.18 O ATOM 849 CB THR A 392 9.593 11.936 -1.475 1.00 0.20 C ATOM 850 OG1 THR A 392 9.835 12.315 -2.838 1.00 0.27 O ATOM 851 CG2 THR A 392 10.798 11.183 -0.917 1.00 0.22 C ATOM 0 H THR A 392 6.925 12.447 -0.777 1.00 0.16 H new ATOM 0 HA THR A 392 8.392 10.355 -2.214 1.00 0.17 H new ATOM 0 HB THR A 392 9.439 12.835 -0.878 1.00 0.20 H new ATOM 0 HG1 THR A 392 10.640 12.872 -2.885 1.00 0.27 H new ATOM 0 HG21 THR A 392 11.684 11.814 -0.983 1.00 0.22 H new ATOM 0 HG22 THR A 392 10.614 10.924 0.126 1.00 0.22 H new ATOM 0 HG23 THR A 392 10.957 10.272 -1.495 1.00 0.22 H new ATOM 859 N LEU A 393 8.092 9.051 -0.238 1.00 0.15 N ATOM 860 CA LEU A 393 8.058 8.112 0.829 1.00 0.16 C ATOM 861 C LEU A 393 9.411 7.911 1.389 1.00 0.17 C ATOM 862 O LEU A 393 10.401 8.213 0.746 1.00 0.18 O ATOM 863 CB LEU A 393 7.534 6.817 0.300 1.00 0.16 C ATOM 864 CG LEU A 393 6.044 6.776 0.078 1.00 0.19 C ATOM 865 CD1 LEU A 393 5.602 7.881 -0.859 1.00 0.16 C ATOM 866 CD2 LEU A 393 5.655 5.437 -0.476 1.00 0.24 C ATOM 0 H LEU A 393 7.941 8.625 -1.152 1.00 0.15 H new ATOM 0 HA LEU A 393 7.413 8.487 1.624 1.00 0.16 H new ATOM 0 HB2 LEU A 393 8.033 6.599 -0.644 1.00 0.16 H new ATOM 0 HB3 LEU A 393 7.805 6.022 0.995 1.00 0.16 H new ATOM 0 HG LEU A 393 5.546 6.931 1.035 1.00 0.19 H new ATOM 0 HD11 LEU A 393 4.523 7.827 -1.001 1.00 0.16 H new ATOM 0 HD12 LEU A 393 5.864 8.848 -0.430 1.00 0.16 H new ATOM 0 HD13 LEU A 393 6.101 7.764 -1.821 1.00 0.16 H new ATOM 0 HD21 LEU A 393 4.577 5.409 -0.636 1.00 0.24 H new ATOM 0 HD22 LEU A 393 6.167 5.273 -1.424 1.00 0.24 H new ATOM 0 HD23 LEU A 393 5.938 4.655 0.229 1.00 0.24 H new ATOM 878 N LYS A 394 9.438 7.434 2.593 1.00 0.20 N ATOM 879 CA LYS A 394 10.626 7.213 3.286 1.00 0.24 C ATOM 880 C LYS A 394 10.438 6.038 4.187 1.00 0.30 C ATOM 881 O LYS A 394 9.384 5.402 4.157 1.00 0.38 O ATOM 882 CB LYS A 394 10.994 8.438 4.049 1.00 0.29 C ATOM 883 CG LYS A 394 11.805 9.316 3.199 1.00 0.29 C ATOM 884 CD LYS A 394 11.233 10.679 3.068 1.00 0.61 C ATOM 885 CE LYS A 394 11.504 11.486 4.303 1.00 0.52 C ATOM 886 NZ LYS A 394 10.963 12.868 4.208 1.00 0.67 N1+ ATOM 0 H LYS A 394 8.600 7.187 3.119 1.00 0.20 H new ATOM 0 HA LYS A 394 11.442 6.997 2.596 1.00 0.24 H new ATOM 0 HB2 LYS A 394 10.095 8.960 4.376 1.00 0.29 H new ATOM 0 HB3 LYS A 394 11.550 8.167 4.947 1.00 0.29 H new ATOM 0 HG2 LYS A 394 12.811 9.387 3.613 1.00 0.29 H new ATOM 0 HG3 LYS A 394 11.899 8.870 2.209 1.00 0.29 H new ATOM 0 HD2 LYS A 394 11.663 11.178 2.199 1.00 0.61 H new ATOM 0 HD3 LYS A 394 10.158 10.614 2.898 1.00 0.61 H new ATOM 0 HE2 LYS A 394 11.063 10.985 5.165 1.00 0.52 H new ATOM 0 HE3 LYS A 394 12.579 11.531 4.476 1.00 0.52 H new ATOM 0 HZ1 LYS A 394 11.176 13.385 5.085 1.00 0.67 H new ATOM 0 HZ2 LYS A 394 11.402 13.358 3.402 1.00 0.67 H new ATOM 0 HZ3 LYS A 394 9.933 12.829 4.070 1.00 0.67 H new ATOM 1015 N GLU A 404 13.793 6.254 0.711 1.00 0.28 N ATOM 1016 CA GLU A 404 12.756 7.029 0.038 1.00 0.24 C ATOM 1017 C GLU A 404 12.131 6.266 -1.107 1.00 0.24 C ATOM 1018 O GLU A 404 12.722 5.354 -1.683 1.00 0.31 O ATOM 1019 CB GLU A 404 13.278 8.330 -0.520 1.00 0.27 C ATOM 1020 CG GLU A 404 13.387 9.464 0.464 1.00 0.29 C ATOM 1021 CD GLU A 404 14.387 10.515 0.042 1.00 0.36 C ATOM 1022 OE1 GLU A 404 15.595 10.325 0.283 1.00 0.62 O1- ATOM 1023 OE2 GLU A 404 13.967 11.540 -0.536 1.00 0.45 O ATOM 0 HA GLU A 404 12.012 7.230 0.809 1.00 0.24 H new ATOM 0 HB2 GLU A 404 14.263 8.150 -0.950 1.00 0.27 H new ATOM 0 HB3 GLU A 404 12.626 8.642 -1.336 1.00 0.27 H new ATOM 0 HG2 GLU A 404 12.408 9.929 0.585 1.00 0.29 H new ATOM 0 HG3 GLU A 404 13.674 9.067 1.438 1.00 0.29 H new ATOM 1030 N SER A 405 10.907 6.652 -1.398 1.00 0.20 N ATOM 1031 CA SER A 405 10.105 6.035 -2.406 1.00 0.20 C ATOM 1032 C SER A 405 9.238 7.091 -3.126 1.00 0.18 C ATOM 1033 O SER A 405 8.202 7.514 -2.617 1.00 0.23 O ATOM 1034 CB SER A 405 9.269 4.998 -1.691 1.00 0.26 C ATOM 1035 OG SER A 405 9.953 3.759 -1.609 1.00 1.33 O ATOM 0 H SER A 405 10.440 7.424 -0.922 1.00 0.20 H new ATOM 0 HA SER A 405 10.708 5.566 -3.183 1.00 0.20 H new ATOM 0 HB2 SER A 405 9.027 5.350 -0.688 1.00 0.26 H new ATOM 0 HB3 SER A 405 8.325 4.861 -2.218 1.00 0.26 H new ATOM 0 HG SER A 405 9.653 3.171 -2.333 1.00 1.33 H new ATOM 1041 N PRO A 406 9.690 7.537 -4.312 1.00 0.18 N ATOM 1042 CA PRO A 406 9.040 8.567 -5.134 1.00 0.19 C ATOM 1043 C PRO A 406 7.701 8.131 -5.704 1.00 0.17 C ATOM 1044 O PRO A 406 7.619 7.327 -6.631 1.00 0.17 O ATOM 1045 CB PRO A 406 10.038 8.779 -6.260 1.00 0.20 C ATOM 1046 CG PRO A 406 10.701 7.478 -6.369 1.00 0.19 C ATOM 1047 CD PRO A 406 10.889 7.051 -4.959 1.00 0.18 C ATOM 0 HA PRO A 406 8.811 9.458 -4.549 1.00 0.19 H new ATOM 0 HB2 PRO A 406 9.543 9.058 -7.190 1.00 0.20 H new ATOM 0 HB3 PRO A 406 10.746 9.574 -6.026 1.00 0.20 H new ATOM 0 HG2 PRO A 406 10.092 6.765 -6.924 1.00 0.19 H new ATOM 0 HG3 PRO A 406 11.654 7.558 -6.892 1.00 0.19 H new ATOM 0 HD2 PRO A 406 10.984 5.968 -4.874 1.00 0.18 H new ATOM 0 HD3 PRO A 406 11.788 7.485 -4.522 1.00 0.18 H new ATOM 1055 N VAL A 407 6.674 8.715 -5.173 1.00 0.17 N ATOM 1056 CA VAL A 407 5.328 8.357 -5.464 1.00 0.17 C ATOM 1057 C VAL A 407 4.540 9.544 -5.989 1.00 0.19 C ATOM 1058 O VAL A 407 4.860 10.698 -5.737 1.00 0.30 O ATOM 1059 CB VAL A 407 4.778 7.815 -4.148 1.00 0.16 C ATOM 1060 CG1 VAL A 407 3.616 8.626 -3.608 1.00 0.15 C ATOM 1061 CG2 VAL A 407 4.477 6.345 -4.268 1.00 0.23 C ATOM 0 H VAL A 407 6.756 9.480 -4.503 1.00 0.17 H new ATOM 0 HA VAL A 407 5.255 7.612 -6.256 1.00 0.17 H new ATOM 0 HB VAL A 407 5.557 7.926 -3.394 1.00 0.16 H new ATOM 0 HG11 VAL A 407 3.271 8.188 -2.671 1.00 0.15 H new ATOM 0 HG12 VAL A 407 3.939 9.652 -3.432 1.00 0.15 H new ATOM 0 HG13 VAL A 407 2.801 8.621 -4.332 1.00 0.15 H new ATOM 0 HG21 VAL A 407 4.086 5.975 -3.320 1.00 0.23 H new ATOM 0 HG22 VAL A 407 3.737 6.188 -5.052 1.00 0.23 H new ATOM 0 HG23 VAL A 407 5.391 5.806 -4.518 1.00 0.23 H new ATOM 1071 N ASN A 408 3.557 9.229 -6.791 1.00 0.19 N ATOM 1072 CA ASN A 408 2.653 10.204 -7.351 1.00 0.21 C ATOM 1073 C ASN A 408 1.422 10.333 -6.478 1.00 0.19 C ATOM 1074 O ASN A 408 0.791 11.380 -6.407 1.00 0.26 O ATOM 1075 CB ASN A 408 2.295 9.804 -8.772 1.00 0.34 C ATOM 1076 CG ASN A 408 1.326 8.694 -8.899 1.00 1.01 C ATOM 1077 OD1 ASN A 408 1.509 7.715 -8.100 1.00 1.84 O flip ATOM 1078 ND2 ASN A 408 0.473 8.688 -9.782 1.00 1.01 N flip ATOM 0 H ASN A 408 3.357 8.271 -7.080 1.00 0.19 H new ATOM 0 HA ASN A 408 3.136 11.181 -7.384 1.00 0.21 H new ATOM 0 HB2 ASN A 408 1.890 10.676 -9.285 1.00 0.34 H new ATOM 0 HB3 ASN A 408 3.211 9.525 -9.293 1.00 0.34 H new ATOM 0 HD21 ASN A 408 0.367 9.497 -10.395 1.00 1.01 H new ATOM 0 HD22 ASN A 408 -0.130 7.874 -9.903 1.00 1.01 H new ATOM 1085 N TYR A 409 1.111 9.244 -5.818 1.00 0.15 N ATOM 1086 CA TYR A 409 -0.024 9.162 -4.903 1.00 0.15 C ATOM 1087 C TYR A 409 0.319 8.302 -3.704 1.00 0.14 C ATOM 1088 O TYR A 409 0.640 7.120 -3.841 1.00 0.15 O ATOM 1089 CB TYR A 409 -1.264 8.619 -5.593 1.00 0.19 C ATOM 1090 CG TYR A 409 -1.758 9.513 -6.696 1.00 0.23 C ATOM 1091 CD1 TYR A 409 -2.258 10.769 -6.411 1.00 0.38 C ATOM 1092 CD2 TYR A 409 -1.695 9.118 -8.017 1.00 0.31 C ATOM 1093 CE1 TYR A 409 -2.687 11.607 -7.409 1.00 0.44 C ATOM 1094 CE2 TYR A 409 -2.117 9.949 -9.030 1.00 0.34 C ATOM 1095 CZ TYR A 409 -2.614 11.198 -8.722 1.00 0.35 C ATOM 1096 OH TYR A 409 -3.032 12.043 -9.726 1.00 0.41 O ATOM 0 H TYR A 409 1.639 8.375 -5.895 1.00 0.15 H new ATOM 0 HA TYR A 409 -0.243 10.175 -4.566 1.00 0.15 H new ATOM 0 HB2 TYR A 409 -1.044 7.633 -6.002 1.00 0.19 H new ATOM 0 HB3 TYR A 409 -2.056 8.488 -4.856 1.00 0.19 H new ATOM 0 HD1 TYR A 409 -2.312 11.097 -5.384 1.00 0.38 H new ATOM 0 HD2 TYR A 409 -1.308 8.140 -8.260 1.00 0.31 H new ATOM 0 HE1 TYR A 409 -3.080 12.583 -7.166 1.00 0.44 H new ATOM 0 HE2 TYR A 409 -2.059 9.625 -10.059 1.00 0.34 H new ATOM 0 HH TYR A 409 -2.913 11.604 -10.594 1.00 0.41 H new ATOM 1106 N TRP A 410 0.247 8.921 -2.549 1.00 0.13 N ATOM 1107 CA TRP A 410 0.627 8.313 -1.287 1.00 0.11 C ATOM 1108 C TRP A 410 -0.492 8.394 -0.289 1.00 0.10 C ATOM 1109 O TRP A 410 -1.124 9.437 -0.113 1.00 0.12 O ATOM 1110 CB TRP A 410 1.837 9.047 -0.720 1.00 0.12 C ATOM 1111 CG TRP A 410 2.336 8.558 0.602 1.00 0.11 C ATOM 1112 CD1 TRP A 410 2.773 9.344 1.613 1.00 0.12 C ATOM 1113 CD2 TRP A 410 2.468 7.207 1.060 1.00 0.11 C ATOM 1114 NE1 TRP A 410 3.160 8.586 2.672 1.00 0.13 N ATOM 1115 CE2 TRP A 410 2.995 7.259 2.362 1.00 0.11 C ATOM 1116 CE3 TRP A 410 2.195 5.965 0.502 1.00 0.11 C ATOM 1117 CZ2 TRP A 410 3.255 6.106 3.109 1.00 0.12 C ATOM 1118 CZ3 TRP A 410 2.456 4.829 1.234 1.00 0.11 C ATOM 1119 CH2 TRP A 410 2.984 4.903 2.526 1.00 0.11 C ATOM 0 H TRP A 410 -0.084 9.881 -2.454 1.00 0.13 H new ATOM 0 HA TRP A 410 0.861 7.264 -1.471 1.00 0.11 H new ATOM 0 HB2 TRP A 410 2.651 8.978 -1.442 1.00 0.12 H new ATOM 0 HB3 TRP A 410 1.585 10.103 -0.624 1.00 0.12 H new ATOM 0 HD1 TRP A 410 2.809 10.423 1.582 1.00 0.12 H new ATOM 0 HE1 TRP A 410 3.517 8.946 3.557 1.00 0.13 H new ATOM 0 HE3 TRP A 410 1.783 5.891 -0.494 1.00 0.11 H new ATOM 0 HZ2 TRP A 410 3.655 6.166 4.110 1.00 0.12 H new ATOM 0 HZ3 TRP A 410 2.249 3.861 0.801 1.00 0.11 H new ATOM 0 HH2 TRP A 410 3.181 3.992 3.072 1.00 0.11 H new ATOM 1130 N MET A 411 -0.714 7.293 0.375 1.00 0.09 N ATOM 1131 CA MET A 411 -1.667 7.254 1.439 1.00 0.10 C ATOM 1132 C MET A 411 -1.113 6.520 2.649 1.00 0.09 C ATOM 1133 O MET A 411 -1.312 5.316 2.798 1.00 0.10 O ATOM 1134 CB MET A 411 -2.918 6.598 0.935 1.00 0.12 C ATOM 1135 CG MET A 411 -3.932 7.599 0.452 1.00 0.14 C ATOM 1136 SD MET A 411 -4.740 7.057 -1.052 1.00 0.41 S ATOM 1137 CE MET A 411 -5.112 5.379 -0.610 1.00 0.13 C ATOM 0 H MET A 411 -0.242 6.407 0.193 1.00 0.09 H new ATOM 0 HA MET A 411 -1.892 8.270 1.763 1.00 0.10 H new ATOM 0 HB2 MET A 411 -2.666 5.917 0.122 1.00 0.12 H new ATOM 0 HB3 MET A 411 -3.356 5.996 1.731 1.00 0.12 H new ATOM 0 HG2 MET A 411 -4.680 7.761 1.228 1.00 0.14 H new ATOM 0 HG3 MET A 411 -3.442 8.557 0.276 1.00 0.14 H new ATOM 0 HE1 MET A 411 -5.389 4.820 -1.504 1.00 0.13 H new ATOM 0 HE2 MET A 411 -4.235 4.920 -0.152 1.00 0.13 H new ATOM 0 HE3 MET A 411 -5.940 5.364 0.098 1.00 0.13 H new ATOM 1147 N PRO A 412 -0.395 7.234 3.523 1.00 0.09 N ATOM 1148 CA PRO A 412 0.191 6.652 4.732 1.00 0.09 C ATOM 1149 C PRO A 412 -0.860 6.340 5.760 1.00 0.09 C ATOM 1150 O PRO A 412 -1.810 7.094 5.966 1.00 0.09 O ATOM 1151 CB PRO A 412 1.089 7.772 5.243 1.00 0.10 C ATOM 1152 CG PRO A 412 0.390 9.002 4.804 1.00 0.16 C ATOM 1153 CD PRO A 412 -0.102 8.676 3.422 1.00 0.11 C ATOM 0 HA PRO A 412 0.709 5.713 4.535 1.00 0.09 H new ATOM 0 HB2 PRO A 412 1.197 7.737 6.327 1.00 0.10 H new ATOM 0 HB3 PRO A 412 2.092 7.707 4.820 1.00 0.10 H new ATOM 0 HG2 PRO A 412 -0.435 9.251 5.472 1.00 0.16 H new ATOM 0 HG3 PRO A 412 1.062 9.860 4.795 1.00 0.16 H new ATOM 0 HD2 PRO A 412 -0.988 9.253 3.159 1.00 0.11 H new ATOM 0 HD3 PRO A 412 0.651 8.885 2.663 1.00 0.11 H new ATOM 1161 N ILE A 413 -0.683 5.194 6.372 1.00 0.09 N ATOM 1162 CA ILE A 413 -1.646 4.654 7.298 1.00 0.10 C ATOM 1163 C ILE A 413 -1.001 4.359 8.640 1.00 0.14 C ATOM 1164 O ILE A 413 -1.683 4.108 9.631 1.00 0.17 O ATOM 1165 CB ILE A 413 -2.237 3.374 6.731 1.00 0.09 C ATOM 1166 CG1 ILE A 413 -1.189 2.256 6.705 1.00 0.10 C ATOM 1167 CG2 ILE A 413 -2.747 3.663 5.344 1.00 0.09 C ATOM 1168 CD1 ILE A 413 -1.576 1.094 5.825 1.00 0.11 C ATOM 0 H ILE A 413 0.140 4.606 6.240 1.00 0.09 H new ATOM 0 HA ILE A 413 -2.433 5.394 7.445 1.00 0.10 H new ATOM 0 HB ILE A 413 -3.058 3.033 7.363 1.00 0.09 H new ATOM 0 HG12 ILE A 413 -0.240 2.665 6.358 1.00 0.10 H new ATOM 0 HG13 ILE A 413 -1.028 1.895 7.721 1.00 0.10 H new ATOM 0 HG21 ILE A 413 -3.176 2.756 4.918 1.00 0.09 H new ATOM 0 HG22 ILE A 413 -3.511 4.438 5.392 1.00 0.09 H new ATOM 0 HG23 ILE A 413 -1.923 4.004 4.717 1.00 0.09 H new ATOM 0 HD11 ILE A 413 -0.790 0.339 5.853 1.00 0.11 H new ATOM 0 HD12 ILE A 413 -2.509 0.660 6.185 1.00 0.11 H new ATOM 0 HD13 ILE A 413 -1.709 1.442 4.801 1.00 0.11 H new ATOM 1180 N ASP A 414 0.326 4.349 8.645 1.00 0.15 N ATOM 1181 CA ASP A 414 1.088 4.154 9.872 1.00 0.22 C ATOM 1182 C ASP A 414 2.210 5.185 9.950 1.00 0.21 C ATOM 1183 O ASP A 414 2.576 5.774 8.933 1.00 0.22 O ATOM 1184 CB ASP A 414 1.658 2.735 9.929 1.00 0.31 C ATOM 1185 CG ASP A 414 2.154 2.355 11.309 1.00 0.88 C ATOM 1186 OD1 ASP A 414 3.334 2.618 11.615 1.00 1.23 O1- ATOM 1187 OD2 ASP A 414 1.366 1.793 12.092 1.00 1.59 O ATOM 0 H ASP A 414 0.898 4.474 7.810 1.00 0.15 H new ATOM 0 HA ASP A 414 0.425 4.288 10.726 1.00 0.22 H new ATOM 0 HB2 ASP A 414 0.890 2.027 9.617 1.00 0.31 H new ATOM 0 HB3 ASP A 414 2.479 2.649 9.217 1.00 0.31 H new ATOM 1192 N TRP A 415 2.772 5.382 11.133 1.00 0.24 N ATOM 1193 CA TRP A 415 3.819 6.381 11.328 1.00 0.25 C ATOM 1194 C TRP A 415 5.216 5.779 11.198 1.00 0.27 C ATOM 1195 O TRP A 415 6.209 6.405 11.568 1.00 0.31 O ATOM 1196 CB TRP A 415 3.650 7.097 12.662 1.00 0.28 C ATOM 1197 CG TRP A 415 2.602 8.165 12.611 1.00 0.28 C ATOM 1198 CD1 TRP A 415 2.816 9.508 12.568 1.00 0.30 C ATOM 1199 CD2 TRP A 415 1.181 7.982 12.571 1.00 0.27 C ATOM 1200 NE1 TRP A 415 1.618 10.176 12.518 1.00 0.30 N ATOM 1201 CE2 TRP A 415 0.600 9.260 12.517 1.00 0.28 C ATOM 1202 CE3 TRP A 415 0.344 6.864 12.578 1.00 0.27 C ATOM 1203 CZ2 TRP A 415 -0.778 9.449 12.471 1.00 0.28 C ATOM 1204 CZ3 TRP A 415 -1.024 7.060 12.531 1.00 0.27 C ATOM 1205 CH2 TRP A 415 -1.571 8.342 12.479 1.00 0.27 C ATOM 0 H TRP A 415 2.522 4.864 11.975 1.00 0.24 H new ATOM 0 HA TRP A 415 3.714 7.118 10.532 1.00 0.25 H new ATOM 0 HB2 TRP A 415 3.386 6.370 13.430 1.00 0.28 H new ATOM 0 HB3 TRP A 415 4.602 7.540 12.956 1.00 0.28 H new ATOM 0 HD1 TRP A 415 3.787 9.980 12.573 1.00 0.30 H new ATOM 0 HE1 TRP A 415 1.504 11.189 12.487 1.00 0.30 H new ATOM 0 HE3 TRP A 415 0.757 5.867 12.619 1.00 0.27 H new ATOM 0 HZ2 TRP A 415 -1.204 10.441 12.430 1.00 0.28 H new ATOM 0 HZ3 TRP A 415 -1.682 6.204 12.535 1.00 0.27 H new ATOM 0 HH2 TRP A 415 -2.644 8.459 12.444 1.00 0.27 H new ATOM 1216 N THR A 416 5.302 4.582 10.661 1.00 0.27 N ATOM 1217 CA THR A 416 6.590 3.977 10.384 1.00 0.32 C ATOM 1218 C THR A 416 6.950 4.307 8.961 1.00 0.30 C ATOM 1219 O THR A 416 8.119 4.401 8.573 1.00 0.35 O ATOM 1220 CB THR A 416 6.536 2.455 10.558 1.00 0.40 C ATOM 1221 OG1 THR A 416 5.299 1.956 10.032 1.00 0.41 O ATOM 1222 CG2 THR A 416 6.668 2.074 12.022 1.00 0.44 C ATOM 0 H THR A 416 4.498 4.008 10.407 1.00 0.27 H new ATOM 0 HA THR A 416 7.334 4.364 11.081 1.00 0.32 H new ATOM 0 HB THR A 416 7.370 2.012 10.013 1.00 0.40 H new ATOM 0 HG1 THR A 416 4.636 1.900 10.752 1.00 0.41 H new ATOM 0 HG21 THR A 416 6.627 0.989 12.121 1.00 0.44 H new ATOM 0 HG22 THR A 416 7.620 2.438 12.408 1.00 0.44 H new ATOM 0 HG23 THR A 416 5.852 2.521 12.589 1.00 0.44 H new ATOM 1230 N GLY A 417 5.898 4.536 8.211 1.00 0.24 N ATOM 1231 CA GLY A 417 6.012 4.858 6.827 1.00 0.24 C ATOM 1232 C GLY A 417 5.275 3.879 5.971 1.00 0.19 C ATOM 1233 O GLY A 417 5.601 3.680 4.804 1.00 0.20 O ATOM 0 H GLY A 417 4.938 4.502 8.555 1.00 0.24 H new ATOM 0 HA2 GLY A 417 5.621 5.861 6.653 1.00 0.24 H new ATOM 0 HA3 GLY A 417 7.064 4.872 6.542 1.00 0.24 H new ATOM 1237 N VAL A 418 4.263 3.272 6.555 1.00 0.15 N ATOM 1238 CA VAL A 418 3.457 2.330 5.833 1.00 0.11 C ATOM 1239 C VAL A 418 2.190 2.980 5.322 1.00 0.09 C ATOM 1240 O VAL A 418 1.636 3.882 5.954 1.00 0.09 O ATOM 1241 CB VAL A 418 3.115 1.093 6.688 1.00 0.14 C ATOM 1242 CG1 VAL A 418 2.063 0.227 6.019 1.00 0.14 C ATOM 1243 CG2 VAL A 418 4.364 0.285 6.909 1.00 0.17 C ATOM 0 H VAL A 418 3.985 3.418 7.525 1.00 0.15 H new ATOM 0 HA VAL A 418 4.046 1.993 4.980 1.00 0.11 H new ATOM 0 HB VAL A 418 2.712 1.436 7.641 1.00 0.14 H new ATOM 0 HG11 VAL A 418 1.847 -0.635 6.650 1.00 0.14 H new ATOM 0 HG12 VAL A 418 1.152 0.808 5.874 1.00 0.14 H new ATOM 0 HG13 VAL A 418 2.434 -0.114 5.052 1.00 0.14 H new ATOM 0 HG21 VAL A 418 4.128 -0.591 7.513 1.00 0.17 H new ATOM 0 HG22 VAL A 418 4.766 -0.035 5.947 1.00 0.17 H new ATOM 0 HG23 VAL A 418 5.105 0.894 7.427 1.00 0.17 H new ATOM 1253 N GLY A 419 1.752 2.513 4.174 1.00 0.10 N ATOM 1254 CA GLY A 419 0.570 3.047 3.549 1.00 0.08 C ATOM 1255 C GLY A 419 0.344 2.441 2.190 1.00 0.08 C ATOM 1256 O GLY A 419 0.958 1.427 1.851 1.00 0.09 O ATOM 0 H GLY A 419 2.202 1.760 3.654 1.00 0.10 H new ATOM 0 HA2 GLY A 419 -0.296 2.856 4.183 1.00 0.08 H new ATOM 0 HA3 GLY A 419 0.664 4.129 3.455 1.00 0.08 H new ATOM 1260 N ILE A 420 -0.516 3.061 1.404 1.00 0.08 N ATOM 1261 CA ILE A 420 -0.749 2.625 0.058 1.00 0.09 C ATOM 1262 C ILE A 420 -0.075 3.595 -0.890 1.00 0.07 C ATOM 1263 O ILE A 420 -0.136 4.809 -0.686 1.00 0.08 O ATOM 1264 CB ILE A 420 -2.258 2.548 -0.239 1.00 0.10 C ATOM 1265 CG1 ILE A 420 -2.678 1.117 -0.513 1.00 0.11 C ATOM 1266 CG2 ILE A 420 -2.620 3.401 -1.422 1.00 0.12 C ATOM 1267 CD1 ILE A 420 -2.731 0.228 0.701 1.00 0.11 C ATOM 0 H ILE A 420 -1.064 3.874 1.686 1.00 0.08 H new ATOM 0 HA ILE A 420 -0.333 1.626 -0.076 1.00 0.09 H new ATOM 0 HB ILE A 420 -2.783 2.918 0.642 1.00 0.10 H new ATOM 0 HG12 ILE A 420 -3.662 1.126 -0.982 1.00 0.11 H new ATOM 0 HG13 ILE A 420 -1.985 0.682 -1.234 1.00 0.11 H new ATOM 0 HG21 ILE A 420 -3.691 3.328 -1.609 1.00 0.12 H new ATOM 0 HG22 ILE A 420 -2.358 4.439 -1.216 1.00 0.12 H new ATOM 0 HG23 ILE A 420 -2.074 3.056 -2.300 1.00 0.12 H new ATOM 0 HD11 ILE A 420 -3.041 -0.774 0.405 1.00 0.11 H new ATOM 0 HD12 ILE A 420 -1.744 0.182 1.161 1.00 0.11 H new ATOM 0 HD13 ILE A 420 -3.447 0.632 1.417 1.00 0.11 H new ATOM 1279 N HIS A 421 0.570 3.081 -1.910 1.00 0.07 N ATOM 1280 CA HIS A 421 1.249 3.943 -2.854 1.00 0.07 C ATOM 1281 C HIS A 421 1.373 3.295 -4.204 1.00 0.09 C ATOM 1282 O HIS A 421 1.118 2.114 -4.381 1.00 0.11 O ATOM 1283 CB HIS A 421 2.650 4.286 -2.383 1.00 0.09 C ATOM 1284 CG HIS A 421 3.570 3.123 -2.265 1.00 0.11 C ATOM 1285 ND1 HIS A 421 4.201 2.554 -3.340 1.00 0.12 N ATOM 1286 CD2 HIS A 421 4.012 2.474 -1.172 1.00 0.13 C ATOM 1287 CE1 HIS A 421 5.016 1.598 -2.873 1.00 0.15 C ATOM 1288 NE2 HIS A 421 4.934 1.508 -1.561 1.00 0.15 N ATOM 0 H HIS A 421 0.640 2.083 -2.108 1.00 0.07 H new ATOM 0 HA HIS A 421 0.643 4.846 -2.926 1.00 0.07 H new ATOM 0 HB2 HIS A 421 3.085 5.007 -3.076 1.00 0.09 H new ATOM 0 HB3 HIS A 421 2.582 4.778 -1.413 1.00 0.09 H new ATOM 0 HD1 HIS A 421 4.074 2.811 -4.319 1.00 0.12 H new ATOM 0 HD2 HIS A 421 3.701 2.671 -0.157 1.00 0.13 H new ATOM 0 HE1 HIS A 421 5.655 0.983 -3.490 1.00 0.15 H new ATOM 1296 N ASP A 422 1.804 4.111 -5.140 1.00 0.11 N ATOM 1297 CA ASP A 422 2.098 3.692 -6.472 1.00 0.14 C ATOM 1298 C ASP A 422 3.547 3.283 -6.543 1.00 0.19 C ATOM 1299 O ASP A 422 4.372 3.763 -5.774 1.00 0.29 O ATOM 1300 CB ASP A 422 1.869 4.860 -7.410 1.00 0.20 C ATOM 1301 CG ASP A 422 3.165 5.469 -7.937 1.00 0.31 C ATOM 1302 OD1 ASP A 422 3.669 5.007 -8.974 1.00 0.42 O ATOM 1303 OD2 ASP A 422 3.669 6.433 -7.316 1.00 0.33 O1- ATOM 0 H ASP A 422 1.960 5.106 -4.982 1.00 0.11 H new ATOM 0 HA ASP A 422 1.460 2.855 -6.754 1.00 0.14 H new ATOM 0 HB2 ASP A 422 1.262 4.528 -8.252 1.00 0.20 H new ATOM 0 HB3 ASP A 422 1.299 5.629 -6.890 1.00 0.20 H new ATOM 1308 N SER A 423 3.861 2.414 -7.454 1.00 0.15 N ATOM 1309 CA SER A 423 5.228 2.018 -7.633 1.00 0.19 C ATOM 1310 C SER A 423 5.521 1.856 -9.083 1.00 0.15 C ATOM 1311 O SER A 423 5.220 0.843 -9.716 1.00 0.16 O ATOM 1312 CB SER A 423 5.469 0.714 -6.892 1.00 0.26 C ATOM 1313 OG SER A 423 4.363 -0.151 -7.056 1.00 1.48 O ATOM 0 H SER A 423 3.195 1.966 -8.083 1.00 0.15 H new ATOM 0 HA SER A 423 5.891 2.785 -7.232 1.00 0.19 H new ATOM 0 HB2 SER A 423 6.373 0.235 -7.268 1.00 0.26 H new ATOM 0 HB3 SER A 423 5.630 0.913 -5.833 1.00 0.26 H new ATOM 0 HG SER A 423 3.586 0.218 -6.586 1.00 1.48 H new ATOM 1319 N ASP A 424 6.130 2.889 -9.585 1.00 0.13 N ATOM 1320 CA ASP A 424 6.584 2.926 -10.940 1.00 0.13 C ATOM 1321 C ASP A 424 8.049 2.521 -11.009 1.00 0.12 C ATOM 1322 O ASP A 424 8.516 1.948 -11.990 1.00 0.15 O ATOM 1323 CB ASP A 424 6.314 4.304 -11.486 1.00 0.15 C ATOM 1324 CG ASP A 424 6.897 4.527 -12.864 1.00 0.25 C ATOM 1325 OD1 ASP A 424 6.285 4.074 -13.849 1.00 0.34 O ATOM 1326 OD2 ASP A 424 7.974 5.158 -12.968 1.00 0.35 O1- ATOM 0 H ASP A 424 6.327 3.739 -9.057 1.00 0.13 H new ATOM 0 HA ASP A 424 6.047 2.209 -11.562 1.00 0.13 H new ATOM 0 HB2 ASP A 424 5.237 4.467 -11.524 1.00 0.15 H new ATOM 0 HB3 ASP A 424 6.725 5.046 -10.801 1.00 0.15 H new ATOM 1331 N TRP A 425 8.766 2.848 -9.921 1.00 0.12 N ATOM 1332 CA TRP A 425 10.157 2.436 -9.734 1.00 0.14 C ATOM 1333 C TRP A 425 10.202 0.943 -9.536 1.00 0.15 C ATOM 1334 O TRP A 425 11.210 0.287 -9.776 1.00 0.18 O ATOM 1335 CB TRP A 425 10.752 3.124 -8.494 1.00 0.14 C ATOM 1336 CG TRP A 425 10.293 2.592 -7.173 1.00 0.12 C ATOM 1337 CD1 TRP A 425 10.712 1.478 -6.525 1.00 0.13 C ATOM 1338 CD2 TRP A 425 9.355 3.216 -6.325 1.00 0.12 C ATOM 1339 NE1 TRP A 425 10.071 1.368 -5.312 1.00 0.13 N ATOM 1340 CE2 TRP A 425 9.233 2.437 -5.166 1.00 0.12 C ATOM 1341 CE3 TRP A 425 8.609 4.364 -6.448 1.00 0.14 C ATOM 1342 CZ2 TRP A 425 8.382 2.790 -4.125 1.00 0.14 C ATOM 1343 CZ3 TRP A 425 7.774 4.722 -5.428 1.00 0.16 C ATOM 1344 CH2 TRP A 425 7.661 3.944 -4.272 1.00 0.15 C ATOM 0 H TRP A 425 8.394 3.404 -9.151 1.00 0.12 H new ATOM 0 HA TRP A 425 10.736 2.720 -10.612 1.00 0.14 H new ATOM 0 HB2 TRP A 425 11.838 3.040 -8.541 1.00 0.14 H new ATOM 0 HB3 TRP A 425 10.512 4.186 -8.540 1.00 0.14 H new ATOM 0 HD1 TRP A 425 11.442 0.779 -6.905 1.00 0.13 H new ATOM 0 HE1 TRP A 425 10.200 0.615 -4.636 1.00 0.13 H new ATOM 0 HE3 TRP A 425 8.682 4.973 -7.337 1.00 0.14 H new ATOM 0 HZ2 TRP A 425 8.294 2.180 -3.238 1.00 0.14 H new ATOM 0 HZ3 TRP A 425 7.189 5.625 -5.516 1.00 0.16 H new ATOM 0 HH2 TRP A 425 6.994 4.258 -3.483 1.00 0.15 H new ATOM 1355 N GLN A 426 9.095 0.445 -9.025 1.00 0.15 N ATOM 1356 CA GLN A 426 8.953 -0.955 -8.665 1.00 0.17 C ATOM 1357 C GLN A 426 7.851 -1.579 -9.454 1.00 0.18 C ATOM 1358 O GLN A 426 6.719 -1.737 -9.003 1.00 0.28 O ATOM 1359 CB GLN A 426 8.607 -1.036 -7.225 1.00 0.18 C ATOM 1360 CG GLN A 426 9.624 -1.760 -6.365 1.00 0.58 C ATOM 1361 CD GLN A 426 9.603 -3.267 -6.535 1.00 0.63 C ATOM 1362 OE1 GLN A 426 10.639 -3.913 -6.422 1.00 1.33 O ATOM 1363 NE2 GLN A 426 8.432 -3.855 -6.790 1.00 0.22 N ATOM 0 H GLN A 426 8.260 1.003 -8.845 1.00 0.15 H new ATOM 0 HA GLN A 426 9.886 -1.479 -8.872 1.00 0.17 H new ATOM 0 HB2 GLN A 426 8.480 -0.025 -6.839 1.00 0.18 H new ATOM 0 HB3 GLN A 426 7.645 -1.538 -7.125 1.00 0.18 H new ATOM 0 HG2 GLN A 426 10.620 -1.390 -6.606 1.00 0.58 H new ATOM 0 HG3 GLN A 426 9.439 -1.519 -5.318 1.00 0.58 H new ATOM 0 HE21 GLN A 426 7.587 -3.291 -6.879 1.00 0.22 H new ATOM 0 HE22 GLN A 426 8.383 -4.868 -6.896 1.00 0.22 H new ATOM 1372 N PRO A 427 8.230 -1.948 -10.641 1.00 0.16 N ATOM 1373 CA PRO A 427 7.346 -2.214 -11.735 1.00 0.18 C ATOM 1374 C PRO A 427 6.692 -3.578 -11.687 1.00 0.16 C ATOM 1375 O PRO A 427 5.985 -3.961 -12.620 1.00 0.18 O ATOM 1376 CB PRO A 427 8.303 -2.116 -12.903 1.00 0.23 C ATOM 1377 CG PRO A 427 9.526 -2.703 -12.360 1.00 0.23 C ATOM 1378 CD PRO A 427 9.616 -2.104 -11.020 1.00 0.19 C ATOM 0 HA PRO A 427 6.493 -1.536 -11.760 1.00 0.18 H new ATOM 0 HB2 PRO A 427 7.940 -2.665 -13.772 1.00 0.23 H new ATOM 0 HB3 PRO A 427 8.454 -1.084 -13.219 1.00 0.23 H new ATOM 0 HG2 PRO A 427 9.465 -3.790 -12.312 1.00 0.23 H new ATOM 0 HG3 PRO A 427 10.396 -2.459 -12.970 1.00 0.23 H new ATOM 0 HD2 PRO A 427 10.155 -2.748 -10.325 1.00 0.19 H new ATOM 0 HD3 PRO A 427 10.139 -1.148 -11.039 1.00 0.19 H new ATOM 1386 N GLU A 428 6.930 -4.305 -10.607 1.00 0.14 N ATOM 1387 CA GLU A 428 6.348 -5.614 -10.443 1.00 0.14 C ATOM 1388 C GLU A 428 5.378 -5.609 -9.283 1.00 0.12 C ATOM 1389 O GLU A 428 5.527 -4.838 -8.342 1.00 0.15 O ATOM 1390 CB GLU A 428 7.410 -6.638 -10.149 1.00 0.17 C ATOM 1391 CG GLU A 428 7.068 -8.009 -10.648 1.00 0.22 C ATOM 1392 CD GLU A 428 7.863 -8.418 -11.868 1.00 0.64 C ATOM 1393 OE1 GLU A 428 7.974 -7.612 -12.811 1.00 1.10 O1- ATOM 1394 OE2 GLU A 428 8.396 -9.546 -11.879 1.00 0.98 O ATOM 0 H GLU A 428 7.524 -4.005 -9.834 1.00 0.14 H new ATOM 0 HA GLU A 428 5.836 -5.866 -11.372 1.00 0.14 H new ATOM 0 HB2 GLU A 428 8.348 -6.318 -10.602 1.00 0.17 H new ATOM 0 HB3 GLU A 428 7.574 -6.682 -9.072 1.00 0.17 H new ATOM 0 HG2 GLU A 428 7.242 -8.732 -9.851 1.00 0.22 H new ATOM 0 HG3 GLU A 428 6.005 -8.047 -10.886 1.00 0.22 H new ATOM 1401 N TYR A 429 4.419 -6.509 -9.373 1.00 0.11 N ATOM 1402 CA TYR A 429 3.283 -6.616 -8.462 1.00 0.10 C ATOM 1403 C TYR A 429 2.671 -7.980 -8.645 1.00 0.10 C ATOM 1404 O TYR A 429 2.413 -8.401 -9.777 1.00 0.14 O ATOM 1405 CB TYR A 429 2.193 -5.633 -8.811 1.00 0.13 C ATOM 1406 CG TYR A 429 2.642 -4.357 -9.471 1.00 0.16 C ATOM 1407 CD1 TYR A 429 2.740 -4.275 -10.848 1.00 0.23 C ATOM 1408 CD2 TYR A 429 2.959 -3.239 -8.718 1.00 0.19 C ATOM 1409 CE1 TYR A 429 3.145 -3.108 -11.462 1.00 0.29 C ATOM 1410 CE2 TYR A 429 3.363 -2.069 -9.321 1.00 0.25 C ATOM 1411 CZ TYR A 429 3.481 -2.009 -10.680 1.00 0.30 C ATOM 1412 OH TYR A 429 3.857 -0.840 -11.303 1.00 0.38 O ATOM 0 H TYR A 429 4.404 -7.215 -10.109 1.00 0.11 H new ATOM 0 HA TYR A 429 3.646 -6.429 -7.451 1.00 0.10 H new ATOM 0 HB2 TYR A 429 1.481 -6.129 -9.471 1.00 0.13 H new ATOM 0 HB3 TYR A 429 1.656 -5.377 -7.898 1.00 0.13 H new ATOM 0 HD1 TYR A 429 2.496 -5.137 -11.451 1.00 0.23 H new ATOM 0 HD2 TYR A 429 2.888 -3.285 -7.641 1.00 0.19 H new ATOM 0 HE1 TYR A 429 3.200 -3.049 -12.539 1.00 0.29 H new ATOM 0 HE2 TYR A 429 3.586 -1.200 -8.720 1.00 0.25 H new ATOM 0 HH TYR A 429 4.559 -0.401 -10.779 1.00 0.38 H new ATOM 1422 N GLY A 430 2.495 -8.690 -7.571 1.00 0.10 N ATOM 1423 CA GLY A 430 1.883 -9.984 -7.667 1.00 0.12 C ATOM 1424 C GLY A 430 2.418 -10.910 -6.622 1.00 0.13 C ATOM 1425 O GLY A 430 3.141 -10.454 -5.741 1.00 0.13 O ATOM 0 H GLY A 430 2.762 -8.402 -6.630 1.00 0.10 H new ATOM 0 HA2 GLY A 430 0.803 -9.888 -7.554 1.00 0.12 H new ATOM 0 HA3 GLY A 430 2.065 -10.403 -8.657 1.00 0.12 H new ATOM 1429 N GLY A 431 2.114 -12.208 -6.771 1.00 0.16 N ATOM 1430 CA GLY A 431 2.637 -13.257 -5.894 1.00 0.20 C ATOM 1431 C GLY A 431 4.016 -12.948 -5.350 1.00 0.17 C ATOM 1432 O GLY A 431 4.805 -12.293 -6.029 1.00 0.16 O ATOM 0 H GLY A 431 1.497 -12.557 -7.505 1.00 0.16 H new ATOM 0 HA2 GLY A 431 1.949 -13.401 -5.061 1.00 0.20 H new ATOM 0 HA3 GLY A 431 2.673 -14.197 -6.444 1.00 0.20 H new ATOM 1436 N ASP A 432 4.377 -13.551 -4.221 1.00 0.18 N ATOM 1437 CA ASP A 432 5.269 -12.892 -3.275 1.00 0.18 C ATOM 1438 C ASP A 432 6.543 -12.461 -3.929 1.00 0.18 C ATOM 1439 O ASP A 432 7.482 -13.222 -4.163 1.00 0.19 O ATOM 1440 CB ASP A 432 5.619 -13.830 -2.127 1.00 0.22 C ATOM 1441 CG ASP A 432 4.423 -14.555 -1.540 1.00 0.25 C ATOM 1442 OD1 ASP A 432 3.984 -15.561 -2.132 1.00 0.29 O ATOM 1443 OD2 ASP A 432 3.906 -14.106 -0.497 1.00 0.33 O1- ATOM 0 H ASP A 432 4.070 -14.483 -3.942 1.00 0.18 H new ATOM 0 HA ASP A 432 4.741 -12.015 -2.901 1.00 0.18 H new ATOM 0 HB2 ASP A 432 6.341 -14.567 -2.480 1.00 0.22 H new ATOM 0 HB3 ASP A 432 6.107 -13.257 -1.339 1.00 0.22 H new ATOM 1448 N LEU A 433 6.510 -11.187 -4.203 1.00 0.16 N ATOM 1449 CA LEU A 433 7.587 -10.452 -4.779 1.00 0.15 C ATOM 1450 C LEU A 433 8.352 -9.761 -3.698 1.00 0.14 C ATOM 1451 O LEU A 433 9.552 -9.546 -3.782 1.00 0.15 O ATOM 1452 CB LEU A 433 6.970 -9.480 -5.740 1.00 0.14 C ATOM 1453 CG LEU A 433 6.592 -10.107 -7.067 1.00 0.15 C ATOM 1454 CD1 LEU A 433 5.719 -9.162 -7.848 1.00 0.13 C ATOM 1455 CD2 LEU A 433 7.842 -10.481 -7.846 1.00 0.18 C ATOM 0 H LEU A 433 5.689 -10.611 -4.020 1.00 0.16 H new ATOM 0 HA LEU A 433 8.294 -11.094 -5.305 1.00 0.15 H new ATOM 0 HB2 LEU A 433 6.080 -9.045 -5.285 1.00 0.14 H new ATOM 0 HB3 LEU A 433 7.669 -8.663 -5.918 1.00 0.14 H new ATOM 0 HG LEU A 433 6.027 -11.021 -6.888 1.00 0.15 H new ATOM 0 HD11 LEU A 433 5.451 -9.618 -8.801 1.00 0.13 H new ATOM 0 HD12 LEU A 433 4.814 -8.949 -7.280 1.00 0.13 H new ATOM 0 HD13 LEU A 433 6.260 -8.233 -8.030 1.00 0.13 H new ATOM 0 HD21 LEU A 433 7.557 -10.930 -8.797 1.00 0.18 H new ATOM 0 HD22 LEU A 433 8.437 -9.586 -8.031 1.00 0.18 H new ATOM 0 HD23 LEU A 433 8.430 -11.195 -7.269 1.00 0.18 H new ATOM 1467 N TRP A 434 7.592 -9.418 -2.667 1.00 0.14 N ATOM 1468 CA TRP A 434 8.072 -8.641 -1.549 1.00 0.14 C ATOM 1469 C TRP A 434 9.365 -9.189 -1.003 1.00 0.17 C ATOM 1470 O TRP A 434 10.217 -8.439 -0.555 1.00 0.22 O ATOM 1471 CB TRP A 434 7.007 -8.556 -0.455 1.00 0.15 C ATOM 1472 CG TRP A 434 6.414 -9.868 -0.006 1.00 0.16 C ATOM 1473 CD1 TRP A 434 5.530 -10.644 -0.688 1.00 0.17 C ATOM 1474 CD2 TRP A 434 6.615 -10.518 1.254 1.00 0.16 C ATOM 1475 NE1 TRP A 434 5.194 -11.747 0.058 1.00 0.18 N ATOM 1476 CE2 TRP A 434 5.851 -11.690 1.254 1.00 0.18 C ATOM 1477 CE3 TRP A 434 7.377 -10.228 2.373 1.00 0.17 C ATOM 1478 CZ2 TRP A 434 5.831 -12.563 2.337 1.00 0.19 C ATOM 1479 CZ3 TRP A 434 7.359 -11.086 3.450 1.00 0.19 C ATOM 1480 CH2 TRP A 434 6.591 -12.244 3.425 1.00 0.19 C ATOM 0 H TRP A 434 6.609 -9.680 -2.589 1.00 0.14 H new ATOM 0 HA TRP A 434 8.275 -7.633 -1.910 1.00 0.14 H new ATOM 0 HB2 TRP A 434 7.444 -8.062 0.413 1.00 0.15 H new ATOM 0 HB3 TRP A 434 6.199 -7.918 -0.811 1.00 0.15 H new ATOM 0 HD1 TRP A 434 5.147 -10.425 -1.674 1.00 0.17 H new ATOM 0 HE1 TRP A 434 4.557 -12.488 -0.234 1.00 0.18 H new ATOM 0 HE3 TRP A 434 7.982 -9.334 2.401 1.00 0.17 H new ATOM 0 HZ2 TRP A 434 5.234 -13.463 2.318 1.00 0.19 H new ATOM 0 HZ3 TRP A 434 7.949 -10.856 4.325 1.00 0.19 H new ATOM 0 HH2 TRP A 434 6.596 -12.903 4.281 1.00 0.19 H new ATOM 1491 N LYS A 435 9.510 -10.504 -1.092 1.00 0.17 N ATOM 1492 CA LYS A 435 10.662 -11.192 -0.577 1.00 0.19 C ATOM 1493 C LYS A 435 11.939 -10.814 -1.271 1.00 0.20 C ATOM 1494 O LYS A 435 13.029 -11.049 -0.757 1.00 0.22 O ATOM 1495 CB LYS A 435 10.442 -12.646 -0.732 1.00 0.20 C ATOM 1496 CG LYS A 435 9.425 -13.102 0.228 1.00 0.22 C ATOM 1497 CD LYS A 435 9.356 -14.576 0.235 1.00 0.26 C ATOM 1498 CE LYS A 435 8.288 -14.995 1.175 1.00 0.35 C ATOM 1499 NZ LYS A 435 7.600 -16.246 0.756 1.00 0.64 N1+ ATOM 0 H LYS A 435 8.822 -11.118 -1.528 1.00 0.17 H new ATOM 0 HA LYS A 435 10.775 -10.906 0.469 1.00 0.19 H new ATOM 0 HB2 LYS A 435 10.120 -12.868 -1.749 1.00 0.20 H new ATOM 0 HB3 LYS A 435 11.376 -13.184 -0.569 1.00 0.20 H new ATOM 0 HG2 LYS A 435 9.667 -12.737 1.226 1.00 0.22 H new ATOM 0 HG3 LYS A 435 8.453 -12.686 -0.036 1.00 0.22 H new ATOM 0 HD2 LYS A 435 9.146 -14.950 -0.767 1.00 0.26 H new ATOM 0 HD3 LYS A 435 10.314 -14.998 0.538 1.00 0.26 H new ATOM 0 HE2 LYS A 435 8.720 -15.139 2.165 1.00 0.35 H new ATOM 0 HE3 LYS A 435 7.553 -14.195 1.261 1.00 0.35 H new ATOM 0 HZ1 LYS A 435 6.865 -16.488 1.451 1.00 0.64 H new ATOM 0 HZ2 LYS A 435 7.161 -16.105 -0.176 1.00 0.64 H new ATOM 0 HZ3 LYS A 435 8.292 -17.021 0.700 1.00 0.64 H new ATOM 1513 N THR A 436 11.802 -10.267 -2.444 1.00 0.19 N ATOM 1514 CA THR A 436 12.947 -9.903 -3.227 1.00 0.21 C ATOM 1515 C THR A 436 12.938 -8.415 -3.528 1.00 0.19 C ATOM 1516 O THR A 436 13.980 -7.752 -3.535 1.00 0.23 O ATOM 1517 CB THR A 436 12.946 -10.694 -4.541 1.00 0.22 C ATOM 1518 OG1 THR A 436 11.799 -10.342 -5.328 1.00 0.21 O ATOM 1519 CG2 THR A 436 12.899 -12.173 -4.241 1.00 0.25 C ATOM 0 H THR A 436 10.903 -10.062 -2.881 1.00 0.19 H new ATOM 0 HA THR A 436 13.847 -10.138 -2.658 1.00 0.21 H new ATOM 0 HB THR A 436 13.854 -10.455 -5.095 1.00 0.22 H new ATOM 0 HG1 THR A 436 11.045 -10.142 -4.735 1.00 0.21 H new ATOM 0 HG21 THR A 436 12.898 -12.734 -5.176 1.00 0.25 H new ATOM 0 HG22 THR A 436 13.772 -12.452 -3.651 1.00 0.25 H new ATOM 0 HG23 THR A 436 11.993 -12.402 -3.680 1.00 0.25 H new ATOM 1527 N ARG A 437 11.736 -7.903 -3.748 1.00 0.16 N ATOM 1528 CA ARG A 437 11.549 -6.557 -4.268 1.00 0.15 C ATOM 1529 C ARG A 437 11.640 -5.492 -3.189 1.00 0.17 C ATOM 1530 O ARG A 437 11.775 -4.301 -3.475 1.00 0.20 O ATOM 1531 CB ARG A 437 10.214 -6.492 -4.957 1.00 0.14 C ATOM 1532 CG ARG A 437 10.029 -7.576 -5.967 1.00 0.15 C ATOM 1533 CD ARG A 437 9.304 -7.074 -7.189 1.00 0.17 C ATOM 1534 NE ARG A 437 10.108 -6.096 -7.923 1.00 0.23 N ATOM 1535 CZ ARG A 437 10.648 -6.308 -9.128 1.00 0.30 C ATOM 1536 NH1 ARG A 437 10.504 -7.479 -9.739 1.00 0.34 N1+ ATOM 1537 NH2 ARG A 437 11.358 -5.352 -9.709 1.00 0.36 N ATOM 0 H ARG A 437 10.867 -8.406 -3.572 1.00 0.16 H new ATOM 0 HA ARG A 437 12.356 -6.349 -4.971 1.00 0.15 H new ATOM 0 HB2 ARG A 437 9.422 -6.558 -4.211 1.00 0.14 H new ATOM 0 HB3 ARG A 437 10.110 -5.524 -5.447 1.00 0.14 H new ATOM 0 HG2 ARG A 437 11.001 -7.974 -6.257 1.00 0.15 H new ATOM 0 HG3 ARG A 437 9.468 -8.398 -5.522 1.00 0.15 H new ATOM 0 HD2 ARG A 437 9.064 -7.913 -7.842 1.00 0.17 H new ATOM 0 HD3 ARG A 437 8.358 -6.620 -6.892 1.00 0.17 H new ATOM 0 HE ARG A 437 10.268 -5.189 -7.485 1.00 0.23 H new ATOM 0 HH11 ARG A 437 9.977 -8.228 -9.289 1.00 0.34 H new ATOM 0 HH12 ARG A 437 10.920 -7.629 -10.658 1.00 0.34 H new ATOM 0 HH21 ARG A 437 11.491 -4.458 -9.237 1.00 0.36 H new ATOM 0 HH22 ARG A 437 11.771 -5.511 -10.628 1.00 0.36 H new ATOM 1551 N GLY A 438 11.559 -5.935 -1.958 1.00 0.16 N ATOM 1552 CA GLY A 438 12.058 -5.137 -0.849 1.00 0.17 C ATOM 1553 C GLY A 438 11.207 -3.941 -0.432 1.00 0.17 C ATOM 1554 O GLY A 438 11.756 -2.884 -0.118 1.00 0.21 O ATOM 0 H GLY A 438 11.157 -6.834 -1.693 1.00 0.16 H new ATOM 0 HA2 GLY A 438 12.175 -5.790 0.016 1.00 0.17 H new ATOM 0 HA3 GLY A 438 13.052 -4.774 -1.111 1.00 0.17 H new ATOM 1558 N SER A 439 9.891 -4.092 -0.391 1.00 0.15 N ATOM 1559 CA SER A 439 9.017 -3.021 0.095 1.00 0.16 C ATOM 1560 C SER A 439 8.897 -3.109 1.622 1.00 0.14 C ATOM 1561 O SER A 439 8.660 -4.171 2.156 1.00 0.20 O ATOM 1562 CB SER A 439 7.644 -3.187 -0.543 1.00 0.22 C ATOM 1563 OG SER A 439 7.753 -3.269 -1.952 1.00 0.47 O ATOM 0 H SER A 439 9.402 -4.938 -0.685 1.00 0.15 H new ATOM 0 HA SER A 439 9.432 -2.049 -0.170 1.00 0.16 H new ATOM 0 HB2 SER A 439 7.165 -4.087 -0.157 1.00 0.22 H new ATOM 0 HB3 SER A 439 7.007 -2.345 -0.271 1.00 0.22 H new ATOM 0 HG SER A 439 8.164 -2.449 -2.297 1.00 0.47 H new ATOM 1569 N HIS A 440 9.064 -1.997 2.326 1.00 0.14 N ATOM 1570 CA HIS A 440 9.165 -2.021 3.791 1.00 0.16 C ATOM 1571 C HIS A 440 7.830 -1.695 4.429 1.00 0.16 C ATOM 1572 O HIS A 440 7.668 -0.643 5.045 1.00 0.21 O ATOM 1573 CB HIS A 440 10.191 -1.011 4.310 1.00 0.22 C ATOM 1574 CG HIS A 440 11.584 -1.219 3.850 1.00 0.26 C ATOM 1575 ND1 HIS A 440 12.005 -0.881 2.594 1.00 0.33 N ATOM 1576 CD2 HIS A 440 12.676 -1.669 4.508 1.00 0.30 C ATOM 1577 CE1 HIS A 440 13.290 -1.106 2.498 1.00 0.41 C ATOM 1578 NE2 HIS A 440 13.726 -1.586 3.640 1.00 0.38 N ATOM 0 H HIS A 440 9.133 -1.067 1.914 1.00 0.14 H new ATOM 0 HA HIS A 440 9.481 -3.029 4.059 1.00 0.16 H new ATOM 0 HB2 HIS A 440 9.874 -0.012 4.011 1.00 0.22 H new ATOM 0 HB3 HIS A 440 10.180 -1.036 5.400 1.00 0.22 H new ATOM 0 HD2 HIS A 440 12.711 -2.026 5.527 1.00 0.30 H new ATOM 0 HE1 HIS A 440 13.895 -0.926 1.621 1.00 0.41 H new ATOM 0 HE2 HIS A 440 14.689 -1.852 3.844 1.00 0.38 H new ATOM 1587 N GLY A 441 6.884 -2.608 4.279 1.00 0.15 N ATOM 1588 CA GLY A 441 5.569 -2.424 4.847 1.00 0.16 C ATOM 1589 C GLY A 441 4.693 -1.626 3.920 1.00 0.15 C ATOM 1590 O GLY A 441 3.492 -1.513 4.118 1.00 0.18 O ATOM 0 H GLY A 441 7.007 -3.482 3.768 1.00 0.15 H new ATOM 0 HA2 GLY A 441 5.112 -3.395 5.040 1.00 0.16 H new ATOM 0 HA3 GLY A 441 5.651 -1.914 5.807 1.00 0.16 H new ATOM 1594 N CYS A 442 5.316 -1.084 2.899 1.00 0.14 N ATOM 1595 CA CYS A 442 4.637 -0.266 1.921 1.00 0.16 C ATOM 1596 C CYS A 442 4.110 -1.133 0.792 1.00 0.18 C ATOM 1597 O CYS A 442 4.779 -2.065 0.341 1.00 0.28 O ATOM 1598 CB CYS A 442 5.604 0.783 1.396 1.00 0.20 C ATOM 1599 SG CYS A 442 7.140 0.109 0.721 1.00 0.83 S ATOM 0 H CYS A 442 6.314 -1.199 2.723 1.00 0.14 H new ATOM 0 HA CYS A 442 3.786 0.235 2.383 1.00 0.16 H new ATOM 0 HB2 CYS A 442 5.105 1.365 0.621 1.00 0.20 H new ATOM 0 HB3 CYS A 442 5.848 1.472 2.204 1.00 0.20 H new ATOM 0 HG CYS A 442 7.892 1.082 0.299 1.00 0.83 H new ATOM 1605 N ILE A 443 2.894 -0.844 0.371 1.00 0.13 N ATOM 1606 CA ILE A 443 2.222 -1.641 -0.626 1.00 0.12 C ATOM 1607 C ILE A 443 2.386 -1.023 -1.996 1.00 0.12 C ATOM 1608 O ILE A 443 1.880 0.068 -2.270 1.00 0.15 O ATOM 1609 CB ILE A 443 0.729 -1.824 -0.290 1.00 0.11 C ATOM 1610 CG1 ILE A 443 0.562 -2.847 0.842 1.00 0.10 C ATOM 1611 CG2 ILE A 443 -0.047 -2.265 -1.529 1.00 0.10 C ATOM 1612 CD1 ILE A 443 1.297 -2.526 2.119 1.00 0.10 C ATOM 0 H ILE A 443 2.349 -0.052 0.712 1.00 0.13 H new ATOM 0 HA ILE A 443 2.684 -2.628 -0.630 1.00 0.12 H new ATOM 0 HB ILE A 443 0.327 -0.867 0.044 1.00 0.11 H new ATOM 0 HG12 ILE A 443 -0.500 -2.943 1.068 1.00 0.10 H new ATOM 0 HG13 ILE A 443 0.900 -3.819 0.483 1.00 0.10 H new ATOM 0 HG21 ILE A 443 -1.099 -2.390 -1.274 1.00 0.10 H new ATOM 0 HG22 ILE A 443 0.051 -1.509 -2.308 1.00 0.10 H new ATOM 0 HG23 ILE A 443 0.353 -3.212 -1.891 1.00 0.10 H new ATOM 0 HD11 ILE A 443 1.112 -3.311 2.852 1.00 0.10 H new ATOM 0 HD12 ILE A 443 2.366 -2.462 1.917 1.00 0.10 H new ATOM 0 HD13 ILE A 443 0.944 -1.572 2.512 1.00 0.10 H new ATOM 1624 N ASN A 444 3.112 -1.726 -2.840 1.00 0.14 N ATOM 1625 CA ASN A 444 3.430 -1.233 -4.163 1.00 0.16 C ATOM 1626 C ASN A 444 2.279 -1.447 -5.134 1.00 0.11 C ATOM 1627 O ASN A 444 2.169 -2.497 -5.763 1.00 0.12 O ATOM 1628 CB ASN A 444 4.712 -1.879 -4.699 1.00 0.30 C ATOM 1629 CG ASN A 444 5.938 -1.540 -3.868 1.00 0.88 C ATOM 1630 OD1 ASN A 444 5.873 -1.413 -2.649 1.00 1.56 O ATOM 1631 ND2 ASN A 444 7.068 -1.373 -4.524 1.00 1.77 N ATOM 0 H ASN A 444 3.495 -2.648 -2.631 1.00 0.14 H new ATOM 0 HA ASN A 444 3.596 -0.159 -4.075 1.00 0.16 H new ATOM 0 HB2 ASN A 444 4.584 -2.961 -4.724 1.00 0.30 H new ATOM 0 HB3 ASN A 444 4.875 -1.553 -5.726 1.00 0.30 H new ATOM 0 HD21 ASN A 444 7.920 -1.131 -4.018 1.00 1.77 H new ATOM 0 HD22 ASN A 444 7.091 -1.485 -5.538 1.00 1.77 H new ATOM 1638 N THR A 445 1.428 -0.442 -5.239 1.00 0.11 N ATOM 1639 CA THR A 445 0.327 -0.431 -6.179 1.00 0.10 C ATOM 1640 C THR A 445 0.785 0.169 -7.488 1.00 0.11 C ATOM 1641 O THR A 445 1.590 1.090 -7.518 1.00 0.14 O ATOM 1642 CB THR A 445 -0.833 0.381 -5.573 1.00 0.11 C ATOM 1643 OG1 THR A 445 -1.250 -0.247 -4.361 1.00 0.18 O ATOM 1644 CG2 THR A 445 -2.007 0.500 -6.523 1.00 0.14 C ATOM 0 H THR A 445 1.485 0.399 -4.665 1.00 0.11 H new ATOM 0 HA THR A 445 -0.017 -1.447 -6.375 1.00 0.10 H new ATOM 0 HB THR A 445 -0.476 1.392 -5.378 1.00 0.11 H new ATOM 0 HG1 THR A 445 -2.147 0.066 -4.122 1.00 0.18 H new ATOM 0 HG21 THR A 445 -2.800 1.081 -6.051 1.00 0.14 H new ATOM 0 HG22 THR A 445 -1.686 1.000 -7.437 1.00 0.14 H new ATOM 0 HG23 THR A 445 -2.381 -0.495 -6.765 1.00 0.14 H new ATOM 1652 N PRO A 446 0.322 -0.399 -8.590 1.00 0.09 N ATOM 1653 CA PRO A 446 0.627 0.097 -9.916 1.00 0.08 C ATOM 1654 C PRO A 446 0.255 1.556 -10.053 1.00 0.09 C ATOM 1655 O PRO A 446 -0.811 1.969 -9.620 1.00 0.12 O ATOM 1656 CB PRO A 446 -0.235 -0.758 -10.819 1.00 0.09 C ATOM 1657 CG PRO A 446 -0.446 -2.007 -10.043 1.00 0.10 C ATOM 1658 CD PRO A 446 -0.539 -1.579 -8.627 1.00 0.09 C ATOM 0 HA PRO A 446 1.689 0.038 -10.152 1.00 0.08 H new ATOM 0 HB2 PRO A 446 -1.181 -0.267 -11.049 1.00 0.09 H new ATOM 0 HB3 PRO A 446 0.260 -0.958 -11.769 1.00 0.09 H new ATOM 0 HG2 PRO A 446 -1.355 -2.518 -10.360 1.00 0.10 H new ATOM 0 HG3 PRO A 446 0.379 -2.705 -10.189 1.00 0.10 H new ATOM 0 HD2 PRO A 446 -1.564 -1.341 -8.343 1.00 0.09 H new ATOM 0 HD3 PRO A 446 -0.191 -2.355 -7.946 1.00 0.09 H new ATOM 1666 N PRO A 447 1.128 2.337 -10.675 1.00 0.09 N ATOM 1667 CA PRO A 447 1.002 3.799 -10.779 1.00 0.09 C ATOM 1668 C PRO A 447 -0.298 4.224 -11.395 1.00 0.09 C ATOM 1669 O PRO A 447 -0.877 5.251 -11.039 1.00 0.16 O ATOM 1670 CB PRO A 447 2.160 4.134 -11.704 1.00 0.10 C ATOM 1671 CG PRO A 447 3.155 3.113 -11.331 1.00 0.10 C ATOM 1672 CD PRO A 447 2.335 1.873 -11.369 1.00 0.09 C ATOM 0 HA PRO A 447 1.021 4.299 -9.811 1.00 0.09 H new ATOM 0 HB2 PRO A 447 1.877 4.063 -12.754 1.00 0.10 H new ATOM 0 HB3 PRO A 447 2.533 5.145 -11.542 1.00 0.10 H new ATOM 0 HG2 PRO A 447 3.988 3.076 -12.033 1.00 0.10 H new ATOM 0 HG3 PRO A 447 3.579 3.295 -10.343 1.00 0.10 H new ATOM 0 HD2 PRO A 447 2.128 1.543 -12.387 1.00 0.09 H new ATOM 0 HD3 PRO A 447 2.816 1.041 -10.855 1.00 0.09 H new ATOM 1680 N SER A 448 -0.763 3.405 -12.296 1.00 0.08 N ATOM 1681 CA SER A 448 -1.963 3.695 -13.011 1.00 0.09 C ATOM 1682 C SER A 448 -3.169 3.357 -12.148 1.00 0.09 C ATOM 1683 O SER A 448 -4.164 4.081 -12.129 1.00 0.11 O ATOM 1684 CB SER A 448 -1.993 2.907 -14.308 1.00 0.11 C ATOM 1685 OG SER A 448 -1.717 1.535 -14.072 1.00 1.17 O ATOM 0 H SER A 448 -0.320 2.523 -12.551 1.00 0.08 H new ATOM 0 HA SER A 448 -1.995 4.758 -13.252 1.00 0.09 H new ATOM 0 HB2 SER A 448 -2.971 3.010 -14.778 1.00 0.11 H new ATOM 0 HB3 SER A 448 -1.260 3.315 -15.004 1.00 0.11 H new ATOM 0 HG SER A 448 -1.743 1.045 -14.921 1.00 1.17 H new ATOM 1691 N VAL A 449 -3.053 2.260 -11.406 1.00 0.08 N ATOM 1692 CA VAL A 449 -4.119 1.813 -10.531 1.00 0.09 C ATOM 1693 C VAL A 449 -4.153 2.621 -9.234 1.00 0.10 C ATOM 1694 O VAL A 449 -5.209 2.824 -8.639 1.00 0.11 O ATOM 1695 CB VAL A 449 -3.952 0.331 -10.196 1.00 0.11 C ATOM 1696 CG1 VAL A 449 -5.038 -0.110 -9.230 1.00 0.17 C ATOM 1697 CG2 VAL A 449 -3.979 -0.516 -11.458 1.00 0.10 C ATOM 0 H VAL A 449 -2.225 1.665 -11.397 1.00 0.08 H new ATOM 0 HA VAL A 449 -5.059 1.965 -11.062 1.00 0.09 H new ATOM 0 HB VAL A 449 -2.982 0.190 -9.720 1.00 0.11 H new ATOM 0 HG11 VAL A 449 -4.911 -1.167 -8.997 1.00 0.17 H new ATOM 0 HG12 VAL A 449 -4.968 0.474 -8.313 1.00 0.17 H new ATOM 0 HG13 VAL A 449 -6.016 0.046 -9.686 1.00 0.17 H new ATOM 0 HG21 VAL A 449 -3.858 -1.567 -11.194 1.00 0.10 H new ATOM 0 HG22 VAL A 449 -4.932 -0.377 -11.969 1.00 0.10 H new ATOM 0 HG23 VAL A 449 -3.166 -0.212 -12.118 1.00 0.10 H new ATOM 1707 N MET A 450 -2.999 3.090 -8.798 1.00 0.10 N ATOM 1708 CA MET A 450 -2.888 3.869 -7.593 1.00 0.11 C ATOM 1709 C MET A 450 -3.636 5.189 -7.742 1.00 0.10 C ATOM 1710 O MET A 450 -4.025 5.820 -6.777 1.00 0.14 O ATOM 1711 CB MET A 450 -1.411 4.084 -7.345 1.00 0.13 C ATOM 1712 CG MET A 450 -1.125 4.705 -6.027 1.00 0.13 C ATOM 1713 SD MET A 450 -2.176 4.061 -4.730 1.00 0.46 S ATOM 1714 CE MET A 450 -2.293 5.527 -3.731 1.00 0.10 C ATOM 0 H MET A 450 -2.111 2.937 -9.277 1.00 0.10 H new ATOM 0 HA MET A 450 -3.338 3.355 -6.744 1.00 0.11 H new ATOM 0 HB2 MET A 450 -0.895 3.126 -7.408 1.00 0.13 H new ATOM 0 HB3 MET A 450 -1.005 4.717 -8.134 1.00 0.13 H new ATOM 0 HG2 MET A 450 -0.081 4.532 -5.765 1.00 0.13 H new ATOM 0 HG3 MET A 450 -1.261 5.784 -6.099 1.00 0.13 H new ATOM 0 HE1 MET A 450 -3.306 5.622 -3.341 1.00 0.10 H new ATOM 0 HE2 MET A 450 -1.590 5.459 -2.901 1.00 0.10 H new ATOM 0 HE3 MET A 450 -2.055 6.401 -4.338 1.00 0.10 H new ATOM 1724 N LYS A 451 -3.805 5.582 -8.990 1.00 0.11 N ATOM 1725 CA LYS A 451 -4.561 6.754 -9.386 1.00 0.11 C ATOM 1726 C LYS A 451 -6.045 6.525 -9.287 1.00 0.10 C ATOM 1727 O LYS A 451 -6.835 7.448 -9.130 1.00 0.14 O ATOM 1728 CB LYS A 451 -4.202 7.010 -10.816 1.00 0.14 C ATOM 1729 CG LYS A 451 -4.548 8.384 -11.281 1.00 0.22 C ATOM 1730 CD LYS A 451 -3.598 8.864 -12.337 1.00 0.68 C ATOM 1731 CE LYS A 451 -3.221 7.735 -13.234 1.00 0.63 C ATOM 1732 NZ LYS A 451 -3.093 8.147 -14.653 1.00 0.81 N1+ ATOM 0 H LYS A 451 -3.407 5.077 -9.782 1.00 0.11 H new ATOM 0 HA LYS A 451 -4.322 7.592 -8.731 1.00 0.11 H new ATOM 0 HB2 LYS A 451 -3.132 6.849 -10.948 1.00 0.14 H new ATOM 0 HB3 LYS A 451 -4.713 6.282 -11.446 1.00 0.14 H new ATOM 0 HG2 LYS A 451 -5.564 8.390 -11.675 1.00 0.22 H new ATOM 0 HG3 LYS A 451 -4.530 9.071 -10.435 1.00 0.22 H new ATOM 0 HD2 LYS A 451 -4.060 9.662 -12.918 1.00 0.68 H new ATOM 0 HD3 LYS A 451 -2.706 9.283 -11.872 1.00 0.68 H new ATOM 0 HE2 LYS A 451 -2.276 7.309 -12.897 1.00 0.63 H new ATOM 0 HE3 LYS A 451 -3.971 6.948 -13.155 1.00 0.63 H new ATOM 0 HZ1 LYS A 451 -2.830 7.324 -15.231 1.00 0.81 H new ATOM 0 HZ2 LYS A 451 -4.001 8.528 -14.987 1.00 0.81 H new ATOM 0 HZ3 LYS A 451 -2.358 8.878 -14.737 1.00 0.81 H new ATOM 1746 N GLU A 452 -6.390 5.268 -9.425 1.00 0.09 N ATOM 1747 CA GLU A 452 -7.749 4.816 -9.367 1.00 0.08 C ATOM 1748 C GLU A 452 -8.131 4.783 -7.946 1.00 0.07 C ATOM 1749 O GLU A 452 -9.200 5.210 -7.541 1.00 0.08 O ATOM 1750 CB GLU A 452 -7.817 3.410 -9.919 1.00 0.08 C ATOM 1751 CG GLU A 452 -7.218 3.259 -11.283 1.00 0.09 C ATOM 1752 CD GLU A 452 -8.181 3.593 -12.397 1.00 0.13 C ATOM 1753 OE1 GLU A 452 -9.049 2.756 -12.711 1.00 0.38 O ATOM 1754 OE2 GLU A 452 -8.075 4.699 -12.965 1.00 0.31 O1- ATOM 0 H GLU A 452 -5.716 4.519 -9.584 1.00 0.09 H new ATOM 0 HA GLU A 452 -8.408 5.468 -9.940 1.00 0.08 H new ATOM 0 HB2 GLU A 452 -7.304 2.736 -9.232 1.00 0.08 H new ATOM 0 HB3 GLU A 452 -8.860 3.095 -9.955 1.00 0.08 H new ATOM 0 HG2 GLU A 452 -6.343 3.905 -11.362 1.00 0.09 H new ATOM 0 HG3 GLU A 452 -6.870 2.234 -11.408 1.00 0.09 H new ATOM 1761 N LEU A 453 -7.214 4.217 -7.220 1.00 0.06 N ATOM 1762 CA LEU A 453 -7.279 4.119 -5.824 1.00 0.05 C ATOM 1763 C LEU A 453 -7.215 5.452 -5.151 1.00 0.05 C ATOM 1764 O LEU A 453 -8.158 5.861 -4.537 1.00 0.05 O ATOM 1765 CB LEU A 453 -6.117 3.352 -5.327 1.00 0.05 C ATOM 1766 CG LEU A 453 -6.236 2.955 -3.899 1.00 0.05 C ATOM 1767 CD1 LEU A 453 -7.396 2.014 -3.745 1.00 0.06 C ATOM 1768 CD2 LEU A 453 -4.953 2.338 -3.435 1.00 0.06 C ATOM 0 H LEU A 453 -6.373 3.799 -7.617 1.00 0.06 H new ATOM 0 HA LEU A 453 -8.230 3.638 -5.596 1.00 0.05 H new ATOM 0 HB2 LEU A 453 -5.995 2.456 -5.936 1.00 0.05 H new ATOM 0 HB3 LEU A 453 -5.215 3.950 -5.456 1.00 0.05 H new ATOM 0 HG LEU A 453 -6.422 3.831 -3.277 1.00 0.05 H new ATOM 0 HD11 LEU A 453 -7.489 1.719 -2.700 1.00 0.06 H new ATOM 0 HD12 LEU A 453 -8.312 2.511 -4.065 1.00 0.06 H new ATOM 0 HD13 LEU A 453 -7.230 1.129 -4.359 1.00 0.06 H new ATOM 0 HD21 LEU A 453 -5.046 2.049 -2.388 1.00 0.06 H new ATOM 0 HD22 LEU A 453 -4.735 1.456 -4.037 1.00 0.06 H new ATOM 0 HD23 LEU A 453 -4.143 3.059 -3.542 1.00 0.06 H new ATOM 1780 N PHE A 454 -6.075 6.120 -5.227 1.00 0.07 N ATOM 1781 CA PHE A 454 -5.960 7.433 -4.622 1.00 0.08 C ATOM 1782 C PHE A 454 -7.124 8.280 -5.113 1.00 0.09 C ATOM 1783 O PHE A 454 -7.599 9.213 -4.465 1.00 0.10 O ATOM 1784 CB PHE A 454 -4.650 8.128 -4.983 1.00 0.13 C ATOM 1785 CG PHE A 454 -4.358 9.303 -4.089 1.00 0.17 C ATOM 1786 CD1 PHE A 454 -4.834 10.568 -4.392 1.00 0.25 C ATOM 1787 CD2 PHE A 454 -3.626 9.131 -2.930 1.00 0.19 C ATOM 1788 CE1 PHE A 454 -4.583 11.635 -3.553 1.00 0.31 C ATOM 1789 CE2 PHE A 454 -3.369 10.192 -2.087 1.00 0.25 C ATOM 1790 CZ PHE A 454 -3.849 11.446 -2.397 1.00 0.29 C ATOM 0 H PHE A 454 -5.233 5.782 -5.692 1.00 0.07 H new ATOM 0 HA PHE A 454 -5.975 7.314 -3.539 1.00 0.08 H new ATOM 0 HB2 PHE A 454 -3.831 7.412 -4.916 1.00 0.13 H new ATOM 0 HB3 PHE A 454 -4.694 8.465 -6.019 1.00 0.13 H new ATOM 0 HD1 PHE A 454 -5.408 10.721 -5.294 1.00 0.25 H new ATOM 0 HD2 PHE A 454 -3.249 8.150 -2.680 1.00 0.19 H new ATOM 0 HE1 PHE A 454 -4.960 12.617 -3.800 1.00 0.31 H new ATOM 0 HE2 PHE A 454 -2.793 10.040 -1.186 1.00 0.25 H new ATOM 0 HZ PHE A 454 -3.652 12.279 -1.738 1.00 0.29 H new ATOM 1800 N GLY A 455 -7.561 7.887 -6.307 1.00 0.09 N ATOM 1801 CA GLY A 455 -8.657 8.514 -6.974 1.00 0.11 C ATOM 1802 C GLY A 455 -9.980 8.266 -6.259 1.00 0.10 C ATOM 1803 O GLY A 455 -10.885 9.092 -6.336 1.00 0.13 O ATOM 0 H GLY A 455 -7.148 7.114 -6.829 1.00 0.09 H new ATOM 0 HA2 GLY A 455 -8.476 9.587 -7.039 1.00 0.11 H new ATOM 0 HA3 GLY A 455 -8.722 8.139 -7.996 1.00 0.11 H new ATOM 1807 N MET A 456 -10.101 7.101 -5.599 1.00 0.08 N ATOM 1808 CA MET A 456 -11.231 6.818 -4.716 1.00 0.09 C ATOM 1809 C MET A 456 -10.944 7.274 -3.291 1.00 0.10 C ATOM 1810 O MET A 456 -11.754 7.938 -2.647 1.00 0.13 O ATOM 1811 CB MET A 456 -11.542 5.313 -4.686 1.00 0.08 C ATOM 1812 CG MET A 456 -10.388 4.414 -4.986 1.00 0.06 C ATOM 1813 SD MET A 456 -10.869 2.766 -5.500 1.00 0.06 S ATOM 1814 CE MET A 456 -11.532 3.119 -7.101 1.00 0.07 C ATOM 0 H MET A 456 -9.424 6.341 -5.665 1.00 0.08 H new ATOM 0 HA MET A 456 -12.086 7.366 -5.111 1.00 0.09 H new ATOM 0 HB2 MET A 456 -11.931 5.059 -3.700 1.00 0.08 H new ATOM 0 HB3 MET A 456 -12.336 5.109 -5.404 1.00 0.08 H new ATOM 0 HG2 MET A 456 -9.781 4.867 -5.770 1.00 0.06 H new ATOM 0 HG3 MET A 456 -9.758 4.339 -4.100 1.00 0.06 H new ATOM 0 HE1 MET A 456 -11.831 2.189 -7.584 1.00 0.07 H new ATOM 0 HE2 MET A 456 -12.400 3.770 -7.000 1.00 0.07 H new ATOM 0 HE3 MET A 456 -10.774 3.616 -7.707 1.00 0.07 H new ATOM 1824 N VAL A 457 -9.776 6.891 -2.820 1.00 0.08 N ATOM 1825 CA VAL A 457 -9.414 6.993 -1.423 1.00 0.10 C ATOM 1826 C VAL A 457 -8.422 8.071 -1.117 1.00 0.17 C ATOM 1827 O VAL A 457 -7.404 8.256 -1.774 1.00 0.23 O ATOM 1828 CB VAL A 457 -8.895 5.657 -0.897 1.00 0.06 C ATOM 1829 CG1 VAL A 457 -8.016 4.992 -1.931 1.00 0.06 C ATOM 1830 CG2 VAL A 457 -8.166 5.828 0.426 1.00 0.10 C ATOM 0 H VAL A 457 -9.041 6.494 -3.406 1.00 0.08 H new ATOM 0 HA VAL A 457 -10.337 7.269 -0.912 1.00 0.10 H new ATOM 0 HB VAL A 457 -9.750 5.008 -0.709 1.00 0.06 H new ATOM 0 HG11 VAL A 457 -7.653 4.041 -1.542 1.00 0.06 H new ATOM 0 HG12 VAL A 457 -8.592 4.817 -2.840 1.00 0.06 H new ATOM 0 HG13 VAL A 457 -7.168 5.638 -2.158 1.00 0.06 H new ATOM 0 HG21 VAL A 457 -7.809 4.858 0.773 1.00 0.10 H new ATOM 0 HG22 VAL A 457 -7.318 6.499 0.290 1.00 0.10 H new ATOM 0 HG23 VAL A 457 -8.847 6.249 1.165 1.00 0.10 H new ATOM 1840 N GLU A 458 -8.785 8.753 -0.076 1.00 0.18 N ATOM 1841 CA GLU A 458 -8.035 9.773 0.532 1.00 0.26 C ATOM 1842 C GLU A 458 -8.189 9.609 2.006 1.00 0.15 C ATOM 1843 O GLU A 458 -8.799 8.632 2.451 1.00 0.08 O ATOM 1844 CB GLU A 458 -8.534 11.109 0.089 1.00 0.42 C ATOM 1845 CG GLU A 458 -10.023 11.206 0.167 1.00 0.46 C ATOM 1846 CD GLU A 458 -10.542 12.593 -0.130 1.00 0.66 C ATOM 1847 OE1 GLU A 458 -9.890 13.325 -0.900 1.00 0.82 O1- ATOM 1848 OE2 GLU A 458 -11.601 12.964 0.415 1.00 0.83 O ATOM 0 H GLU A 458 -9.676 8.590 0.393 1.00 0.18 H new ATOM 0 HA GLU A 458 -6.984 9.710 0.252 1.00 0.26 H new ATOM 0 HB2 GLU A 458 -8.087 11.886 0.709 1.00 0.42 H new ATOM 0 HB3 GLU A 458 -8.212 11.294 -0.936 1.00 0.42 H new ATOM 0 HG2 GLU A 458 -10.465 10.501 -0.537 1.00 0.46 H new ATOM 0 HG3 GLU A 458 -10.349 10.908 1.164 1.00 0.46 H new ATOM 1855 N LYS A 459 -7.615 10.516 2.767 1.00 0.19 N ATOM 1856 CA LYS A 459 -7.746 10.463 4.180 1.00 0.13 C ATOM 1857 C LYS A 459 -9.144 10.221 4.641 1.00 0.14 C ATOM 1858 O LYS A 459 -10.135 10.559 3.989 1.00 0.21 O ATOM 1859 CB LYS A 459 -7.241 11.703 4.823 1.00 0.14 C ATOM 1860 CG LYS A 459 -5.775 11.746 4.885 1.00 0.15 C ATOM 1861 CD LYS A 459 -5.376 12.964 5.607 1.00 0.15 C ATOM 1862 CE LYS A 459 -5.376 14.131 4.686 1.00 0.20 C ATOM 1863 NZ LYS A 459 -4.732 15.334 5.277 1.00 0.24 N1+ ATOM 0 H LYS A 459 -7.056 11.294 2.417 1.00 0.19 H new ATOM 0 HA LYS A 459 -7.139 9.610 4.484 1.00 0.13 H new ATOM 0 HB2 LYS A 459 -7.604 12.569 4.270 1.00 0.14 H new ATOM 0 HB3 LYS A 459 -7.647 11.777 5.832 1.00 0.14 H new ATOM 0 HG2 LYS A 459 -5.391 10.861 5.393 1.00 0.15 H new ATOM 0 HG3 LYS A 459 -5.353 11.745 3.880 1.00 0.15 H new ATOM 0 HD2 LYS A 459 -6.061 13.145 6.435 1.00 0.15 H new ATOM 0 HD3 LYS A 459 -4.383 12.831 6.038 1.00 0.15 H new ATOM 0 HE2 LYS A 459 -4.857 13.862 3.766 1.00 0.20 H new ATOM 0 HE3 LYS A 459 -6.403 14.372 4.413 1.00 0.20 H new ATOM 0 HZ1 LYS A 459 -4.761 16.115 4.591 1.00 0.24 H new ATOM 0 HZ2 LYS A 459 -5.241 15.612 6.140 1.00 0.24 H new ATOM 0 HZ3 LYS A 459 -3.743 15.117 5.513 1.00 0.24 H new ATOM 1877 N GLY A 460 -9.186 9.665 5.806 1.00 0.13 N ATOM 1878 CA GLY A 460 -10.438 9.300 6.393 1.00 0.19 C ATOM 1879 C GLY A 460 -10.804 7.856 6.142 1.00 0.19 C ATOM 1880 O GLY A 460 -11.568 7.255 6.899 1.00 0.37 O ATOM 0 H GLY A 460 -8.366 9.452 6.374 1.00 0.13 H new ATOM 0 HA2 GLY A 460 -10.396 9.478 7.468 1.00 0.19 H new ATOM 0 HA3 GLY A 460 -11.222 9.943 5.994 1.00 0.19 H new ATOM 1884 N THR A 461 -10.262 7.304 5.071 1.00 0.12 N ATOM 1885 CA THR A 461 -10.526 5.944 4.687 1.00 0.10 C ATOM 1886 C THR A 461 -9.520 5.020 5.352 1.00 0.09 C ATOM 1887 O THR A 461 -8.357 5.376 5.526 1.00 0.12 O ATOM 1888 CB THR A 461 -10.443 5.833 3.152 1.00 0.11 C ATOM 1889 OG1 THR A 461 -11.607 6.423 2.561 1.00 0.15 O ATOM 1890 CG2 THR A 461 -10.273 4.388 2.665 1.00 0.08 C ATOM 0 H THR A 461 -9.624 7.796 4.445 1.00 0.12 H new ATOM 0 HA THR A 461 -11.524 5.649 5.010 1.00 0.10 H new ATOM 0 HB THR A 461 -9.550 6.374 2.838 1.00 0.11 H new ATOM 0 HG1 THR A 461 -11.550 6.352 1.585 1.00 0.15 H new ATOM 0 HG21 THR A 461 -10.221 4.375 1.576 1.00 0.08 H new ATOM 0 HG22 THR A 461 -9.354 3.971 3.077 1.00 0.08 H new ATOM 0 HG23 THR A 461 -11.123 3.791 2.995 1.00 0.08 H new ATOM 1898 N PRO A 462 -9.957 3.843 5.775 1.00 0.08 N ATOM 1899 CA PRO A 462 -9.073 2.849 6.301 1.00 0.10 C ATOM 1900 C PRO A 462 -8.283 2.190 5.220 1.00 0.09 C ATOM 1901 O PRO A 462 -8.572 2.312 4.034 1.00 0.10 O ATOM 1902 CB PRO A 462 -9.972 1.800 6.917 1.00 0.12 C ATOM 1903 CG PRO A 462 -11.336 2.328 6.817 1.00 0.09 C ATOM 1904 CD PRO A 462 -11.330 3.377 5.769 1.00 0.07 C ATOM 0 HA PRO A 462 -8.372 3.301 7.003 1.00 0.10 H new ATOM 0 HB2 PRO A 462 -9.882 0.850 6.390 1.00 0.12 H new ATOM 0 HB3 PRO A 462 -9.700 1.615 7.956 1.00 0.12 H new ATOM 0 HG2 PRO A 462 -12.037 1.534 6.561 1.00 0.09 H new ATOM 0 HG3 PRO A 462 -11.658 2.742 7.772 1.00 0.09 H new ATOM 0 HD2 PRO A 462 -11.615 2.976 4.796 1.00 0.07 H new ATOM 0 HD3 PRO A 462 -12.029 4.181 6.000 1.00 0.07 H new ATOM 1912 N VAL A 463 -7.316 1.468 5.651 1.00 0.09 N ATOM 1913 CA VAL A 463 -6.541 0.652 4.795 1.00 0.14 C ATOM 1914 C VAL A 463 -6.361 -0.690 5.457 1.00 0.12 C ATOM 1915 O VAL A 463 -6.141 -0.776 6.656 1.00 0.22 O ATOM 1916 CB VAL A 463 -5.181 1.291 4.504 1.00 0.27 C ATOM 1917 CG1 VAL A 463 -4.313 0.338 3.721 1.00 1.07 C ATOM 1918 CG2 VAL A 463 -5.363 2.604 3.764 1.00 1.09 C ATOM 0 H VAL A 463 -7.035 1.427 6.631 1.00 0.09 H new ATOM 0 HA VAL A 463 -7.055 0.536 3.841 1.00 0.14 H new ATOM 0 HB VAL A 463 -4.680 1.504 5.448 1.00 0.27 H new ATOM 0 HG11 VAL A 463 -3.349 0.805 3.521 1.00 1.07 H new ATOM 0 HG12 VAL A 463 -4.162 -0.574 4.298 1.00 1.07 H new ATOM 0 HG13 VAL A 463 -4.801 0.093 2.777 1.00 1.07 H new ATOM 0 HG21 VAL A 463 -4.387 3.047 3.564 1.00 1.09 H new ATOM 0 HG22 VAL A 463 -5.879 2.422 2.821 1.00 1.09 H new ATOM 0 HG23 VAL A 463 -5.953 3.287 4.375 1.00 1.09 H new ATOM 1928 N LEU A 464 -6.541 -1.727 4.704 1.00 0.07 N ATOM 1929 CA LEU A 464 -6.351 -3.049 5.211 1.00 0.06 C ATOM 1930 C LEU A 464 -5.180 -3.692 4.557 1.00 0.06 C ATOM 1931 O LEU A 464 -4.900 -3.458 3.394 1.00 0.06 O ATOM 1932 CB LEU A 464 -7.557 -3.871 4.888 1.00 0.06 C ATOM 1933 CG LEU A 464 -8.069 -4.741 5.998 1.00 0.08 C ATOM 1934 CD1 LEU A 464 -8.523 -3.891 7.161 1.00 0.12 C ATOM 1935 CD2 LEU A 464 -9.193 -5.576 5.470 1.00 0.13 C ATOM 0 H LEU A 464 -6.823 -1.683 3.725 1.00 0.07 H new ATOM 0 HA LEU A 464 -6.189 -2.989 6.287 1.00 0.06 H new ATOM 0 HB2 LEU A 464 -8.358 -3.200 4.578 1.00 0.06 H new ATOM 0 HB3 LEU A 464 -7.323 -4.505 4.033 1.00 0.06 H new ATOM 0 HG LEU A 464 -7.275 -5.395 6.359 1.00 0.08 H new ATOM 0 HD11 LEU A 464 -8.892 -4.534 7.960 1.00 0.12 H new ATOM 0 HD12 LEU A 464 -7.684 -3.300 7.529 1.00 0.12 H new ATOM 0 HD13 LEU A 464 -9.321 -3.224 6.835 1.00 0.12 H new ATOM 0 HD21 LEU A 464 -9.577 -6.215 6.266 1.00 0.13 H new ATOM 0 HD22 LEU A 464 -9.991 -4.926 5.110 1.00 0.13 H new ATOM 0 HD23 LEU A 464 -8.831 -6.196 4.650 1.00 0.13 H new ATOM 1947 N VAL A 465 -4.483 -4.452 5.339 1.00 0.06 N ATOM 1948 CA VAL A 465 -3.527 -5.396 4.858 1.00 0.06 C ATOM 1949 C VAL A 465 -3.616 -6.610 5.766 1.00 0.08 C ATOM 1950 O VAL A 465 -3.933 -6.458 6.947 1.00 0.09 O ATOM 1951 CB VAL A 465 -2.085 -4.837 4.781 1.00 0.06 C ATOM 1952 CG1 VAL A 465 -2.043 -3.351 4.428 1.00 0.07 C ATOM 1953 CG2 VAL A 465 -1.302 -5.107 6.011 1.00 0.07 C ATOM 0 H VAL A 465 -4.565 -4.433 6.356 1.00 0.06 H new ATOM 0 HA VAL A 465 -3.763 -5.656 3.826 1.00 0.06 H new ATOM 0 HB VAL A 465 -1.611 -5.379 3.963 1.00 0.06 H new ATOM 0 HG11 VAL A 465 -1.007 -3.016 4.389 1.00 0.07 H new ATOM 0 HG12 VAL A 465 -2.512 -3.194 3.457 1.00 0.07 H new ATOM 0 HG13 VAL A 465 -2.580 -2.782 5.187 1.00 0.07 H new ATOM 0 HG21 VAL A 465 -0.299 -4.693 5.902 1.00 0.07 H new ATOM 0 HG22 VAL A 465 -1.795 -4.643 6.865 1.00 0.07 H new ATOM 0 HG23 VAL A 465 -1.235 -6.183 6.171 1.00 0.07 H new ATOM 1963 N PHE A 466 -3.398 -7.797 5.228 1.00 0.11 N ATOM 1964 CA PHE A 466 -3.550 -9.020 6.005 1.00 0.14 C ATOM 1965 C PHE A 466 -2.773 -10.171 5.379 1.00 0.19 C ATOM 1966 O PHE A 466 -2.831 -10.326 4.143 1.00 1.16 O ATOM 1967 CB PHE A 466 -5.032 -9.377 6.177 1.00 0.13 C ATOM 1968 CG PHE A 466 -5.829 -9.380 4.907 1.00 0.12 C ATOM 1969 CD1 PHE A 466 -5.757 -10.461 4.055 1.00 0.14 C ATOM 1970 CD2 PHE A 466 -6.640 -8.311 4.556 1.00 0.14 C ATOM 1971 CE1 PHE A 466 -6.478 -10.483 2.888 1.00 0.18 C ATOM 1972 CE2 PHE A 466 -7.366 -8.333 3.381 1.00 0.17 C ATOM 1973 CZ PHE A 466 -7.322 -9.347 2.571 1.00 0.19 C ATOM 1974 OXT PHE A 466 -2.053 -10.875 6.122 1.00 1.08 O ATOM 0 H PHE A 466 -3.116 -7.943 4.259 1.00 0.11 H new ATOM 0 HA PHE A 466 -3.131 -8.843 6.996 1.00 0.14 H new ATOM 0 HB2 PHE A 466 -5.103 -10.363 6.636 1.00 0.13 H new ATOM 0 HB3 PHE A 466 -5.484 -8.669 6.871 1.00 0.13 H new ATOM 0 HD1 PHE A 466 -5.126 -11.300 4.309 1.00 0.14 H new ATOM 0 HD2 PHE A 466 -6.705 -7.453 5.208 1.00 0.14 H new ATOM 0 HE1 PHE A 466 -6.418 -11.329 2.219 1.00 0.18 H new ATOM 0 HE2 PHE A 466 -7.986 -7.485 3.130 1.00 0.17 H new ATOM 0 HZ PHE A 466 -7.911 -9.344 1.666 1.00 0.19 H new