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= -7.24! C(o=-7.8!,f=-7.9!) USER MOD Set 1.2: A 423 SER OG : rot -65:sc= 1.2 USER MOD Set 1.3: A 439 SER OG : rot -106:sc= -0.212! USER MOD Set 1.4: A 442 CYS SG : rot 180:sc= -0.39 USER MOD Set 1.5: A 444 ASN : amide:sc= -1.16! K(o=-7.8!,f=-9) USER MOD Set 2.1: A 411 MET CE :methyl -172:sc= -7.56! (180deg=-7.74!) USER MOD Set 2.2: A 450 MET CE :methyl 143:sc= -4.16 (180deg=-6.34!) USER MOD Set 3.1: A 370 SER OG : rot 50:sc= 0.725 USER MOD Set 3.2: A 377 THR OG1 : rot -128:sc= 1.09 USER MOD Set 4.1: A 372 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 374 THR OG1 : rot 180:sc= -2.52! USER MOD Set 4.3: A 375 THR OG1 : rot 63:sc= 0.296 USER MOD Set 4.4: A 440 HIS : no HD1:sc= -1.53! C(o=-3.8!,f=-5.4!) USER MOD Single : A 343 THR OG1 : rot 23:sc= 0.416 USER MOD Single : A 344 TYR OH : rot 9:sc= 0.0491 USER MOD Single : A 351 ASN : amide:sc= 0.387 X(o=0.39,f=0) USER MOD Single : A 352 GLN : amide:sc= -8.09! C(o=-8.1!,f=-12!) USER MOD Single : A 353 HIS : no HE2:sc= -2.34! C(o=-2.3!,f=-6.2!) USER MOD Single : A 354 MET CE :methyl -174:sc= -6.4! (180deg=-6.65!) 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= -2.26! USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 386 ASN :FLIP amide:sc= -0.154 F(o=-0.92,f=-0.15) USER MOD Single : A 387 LYS NZ :NH3+ -138:sc= 1.03 (180deg=0.0459) 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 55:sc= -4.19! USER MOD Single : A 408 ASN :FLIP amide:sc= -0.571 F(o=-1.7!,f=-0.57) USER MOD Single : A 409 TYR OH : rot 150:sc= 0 USER MOD Single : A 416 THR OG1 : rot -90:sc= 1.26 USER MOD Single : A 426 GLN : amide:sc= -3.26 X(o=-3.3,f=-3.2!) USER MOD Single : A 429 TYR OH : rot 21:sc= -0.23 USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot -34:sc= 0.717 USER MOD Single : A 445 THR OG1 : rot -144:sc= 1.15 USER MOD Single : A 448 SER OG : rot 180:sc= 0 USER MOD Single : A 451 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 MET CE :methyl 176:sc= -4.37! (180deg=-4.49!) 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 -16.015 0.453 4.550 1.00 0.23 N ATOM 73 CA THR A 343 -15.453 0.924 3.323 1.00 0.19 C ATOM 74 C THR A 343 -14.022 1.332 3.620 1.00 0.13 C ATOM 75 O THR A 343 -13.778 2.172 4.482 1.00 0.16 O ATOM 76 CB THR A 343 -16.241 2.139 2.829 1.00 0.24 C ATOM 77 OG1 THR A 343 -17.647 1.910 3.017 1.00 0.45 O ATOM 78 CG2 THR A 343 -15.969 2.390 1.372 1.00 0.20 C ATOM 0 HA THR A 343 -15.490 0.153 2.554 1.00 0.19 H new ATOM 0 HB THR A 343 -15.927 3.012 3.401 1.00 0.24 H new ATOM 0 HG1 THR A 343 -17.778 1.237 3.717 1.00 0.45 H new ATOM 0 HG21 THR A 343 -16.539 3.258 1.040 1.00 0.20 H new ATOM 0 HG22 THR A 343 -14.905 2.577 1.227 1.00 0.20 H new ATOM 0 HG23 THR A 343 -16.266 1.517 0.791 1.00 0.20 H new ATOM 86 N TYR A 344 -13.093 0.734 2.912 1.00 0.10 N ATOM 87 CA TYR A 344 -11.689 0.922 3.168 1.00 0.07 C ATOM 88 C TYR A 344 -10.867 0.539 1.970 1.00 0.06 C ATOM 89 O TYR A 344 -11.382 0.321 0.882 1.00 0.08 O ATOM 90 CB TYR A 344 -11.226 0.052 4.326 1.00 0.08 C ATOM 91 CG TYR A 344 -11.758 -1.359 4.305 1.00 0.12 C ATOM 92 CD1 TYR A 344 -11.123 -2.367 3.601 1.00 0.14 C ATOM 93 CD2 TYR A 344 -12.908 -1.670 4.990 1.00 0.19 C ATOM 94 CE1 TYR A 344 -11.629 -3.650 3.584 1.00 0.20 C ATOM 95 CE2 TYR A 344 -13.427 -2.942 4.980 1.00 0.25 C ATOM 96 CZ TYR A 344 -12.785 -3.931 4.274 1.00 0.25 C ATOM 97 OH TYR A 344 -13.306 -5.198 4.247 1.00 0.32 O ATOM 0 H TYR A 344 -13.294 0.100 2.138 1.00 0.10 H new ATOM 0 HA TYR A 344 -11.553 1.977 3.403 1.00 0.07 H new ATOM 0 HB2 TYR A 344 -10.137 0.015 4.322 1.00 0.08 H new ATOM 0 HB3 TYR A 344 -11.526 0.525 5.261 1.00 0.08 H new ATOM 0 HD1 TYR A 344 -10.217 -2.146 3.056 1.00 0.14 H new ATOM 0 HD2 TYR A 344 -13.415 -0.897 5.549 1.00 0.19 H new ATOM 0 HE1 TYR A 344 -11.121 -4.428 3.033 1.00 0.20 H new ATOM 0 HE2 TYR A 344 -14.334 -3.163 5.523 1.00 0.25 H new ATOM 0 HH TYR A 344 -12.665 -5.807 3.824 1.00 0.32 H new ATOM 107 N ILE A 345 -9.571 0.486 2.185 1.00 0.05 N ATOM 108 CA ILE A 345 -8.682 -0.123 1.235 1.00 0.05 C ATOM 109 C ILE A 345 -8.276 -1.484 1.770 1.00 0.05 C ATOM 110 O ILE A 345 -8.410 -1.713 2.956 1.00 0.08 O ATOM 111 CB ILE A 345 -7.428 0.724 0.990 1.00 0.06 C ATOM 112 CG1 ILE A 345 -7.791 2.182 0.890 1.00 0.07 C ATOM 113 CG2 ILE A 345 -6.784 0.273 -0.297 1.00 0.06 C ATOM 114 CD1 ILE A 345 -8.766 2.408 -0.204 1.00 0.07 C ATOM 0 H ILE A 345 -9.113 0.861 3.015 1.00 0.05 H new ATOM 0 HA ILE A 345 -9.203 -0.212 0.282 1.00 0.05 H new ATOM 0 HB ILE A 345 -6.736 0.596 1.822 1.00 0.06 H new ATOM 0 HG12 ILE A 345 -8.213 2.522 1.836 1.00 0.07 H new ATOM 0 HG13 ILE A 345 -6.893 2.774 0.711 1.00 0.07 H new ATOM 0 HG21 ILE A 345 -5.890 0.867 -0.484 1.00 0.06 H new ATOM 0 HG22 ILE A 345 -6.510 -0.779 -0.218 1.00 0.06 H new ATOM 0 HG23 ILE A 345 -7.486 0.404 -1.121 1.00 0.06 H new ATOM 0 HD11 ILE A 345 -9.014 3.468 -0.257 1.00 0.07 H new ATOM 0 HD12 ILE A 345 -8.331 2.089 -1.151 1.00 0.07 H new ATOM 0 HD13 ILE A 345 -9.671 1.833 -0.009 1.00 0.07 H new ATOM 126 N GLU A 346 -7.796 -2.385 0.931 1.00 0.05 N ATOM 127 CA GLU A 346 -7.397 -3.706 1.415 1.00 0.05 C ATOM 128 C GLU A 346 -6.150 -4.177 0.729 1.00 0.05 C ATOM 129 O GLU A 346 -5.798 -3.708 -0.330 1.00 0.06 O ATOM 130 CB GLU A 346 -8.512 -4.719 1.197 1.00 0.06 C ATOM 131 CG GLU A 346 -8.726 -5.582 2.389 1.00 0.07 C ATOM 132 CD GLU A 346 -9.734 -6.702 2.180 1.00 0.09 C ATOM 133 OE1 GLU A 346 -9.449 -7.626 1.387 1.00 0.12 O ATOM 134 OE2 GLU A 346 -10.819 -6.662 2.801 1.00 0.17 O1- ATOM 0 H GLU A 346 -7.672 -2.237 -0.071 1.00 0.05 H new ATOM 0 HA GLU A 346 -7.198 -3.618 2.483 1.00 0.05 H new ATOM 0 HB2 GLU A 346 -9.437 -4.194 0.960 1.00 0.06 H new ATOM 0 HB3 GLU A 346 -8.271 -5.343 0.337 1.00 0.06 H new ATOM 0 HG2 GLU A 346 -7.771 -6.019 2.683 1.00 0.07 H new ATOM 0 HG3 GLU A 346 -9.060 -4.959 3.219 1.00 0.07 H new ATOM 141 N VAL A 347 -5.459 -5.063 1.400 1.00 0.05 N ATOM 142 CA VAL A 347 -4.215 -5.616 0.937 1.00 0.05 C ATOM 143 C VAL A 347 -4.049 -7.013 1.479 1.00 0.07 C ATOM 144 O VAL A 347 -4.313 -7.272 2.652 1.00 0.08 O ATOM 145 CB VAL A 347 -3.030 -4.792 1.442 1.00 0.06 C ATOM 146 CG1 VAL A 347 -1.729 -5.499 1.121 1.00 0.06 C ATOM 147 CG2 VAL A 347 -3.033 -3.404 0.858 1.00 0.06 C ATOM 0 H VAL A 347 -5.755 -5.428 2.306 1.00 0.05 H new ATOM 0 HA VAL A 347 -4.236 -5.613 -0.153 1.00 0.05 H new ATOM 0 HB VAL A 347 -3.125 -4.695 2.523 1.00 0.06 H new ATOM 0 HG11 VAL A 347 -0.892 -4.903 1.485 1.00 0.06 H new ATOM 0 HG12 VAL A 347 -1.717 -6.476 1.605 1.00 0.06 H new ATOM 0 HG13 VAL A 347 -1.641 -5.627 0.042 1.00 0.06 H new ATOM 0 HG21 VAL A 347 -2.177 -2.847 1.239 1.00 0.06 H new ATOM 0 HG22 VAL A 347 -2.971 -3.466 -0.228 1.00 0.06 H new ATOM 0 HG23 VAL A 347 -3.953 -2.893 1.140 1.00 0.06 H new ATOM 157 N ASP A 348 -3.584 -7.886 0.633 1.00 0.08 N ATOM 158 CA ASP A 348 -3.303 -9.248 1.021 1.00 0.11 C ATOM 159 C ASP A 348 -1.879 -9.576 0.649 1.00 0.15 C ATOM 160 O ASP A 348 -1.519 -9.689 -0.517 1.00 0.24 O ATOM 161 CB ASP A 348 -4.273 -10.175 0.299 1.00 0.14 C ATOM 162 CG ASP A 348 -4.046 -11.647 0.582 1.00 0.18 C ATOM 163 OD1 ASP A 348 -3.073 -12.217 0.063 1.00 0.33 O ATOM 164 OD2 ASP A 348 -4.865 -12.250 1.304 1.00 0.37 O1- ATOM 0 H ASP A 348 -3.387 -7.679 -0.346 1.00 0.08 H new ATOM 0 HA ASP A 348 -3.426 -9.376 2.096 1.00 0.11 H new ATOM 0 HB2 ASP A 348 -5.291 -9.913 0.586 1.00 0.14 H new ATOM 0 HB3 ASP A 348 -4.191 -10.005 -0.775 1.00 0.14 H new ATOM 169 N LEU A 349 -1.070 -9.632 1.701 1.00 0.13 N ATOM 170 CA LEU A 349 0.382 -9.688 1.616 1.00 0.14 C ATOM 171 C LEU A 349 0.838 -10.937 0.934 1.00 0.20 C ATOM 172 O LEU A 349 1.817 -10.963 0.206 1.00 0.32 O ATOM 173 CB LEU A 349 0.973 -9.649 3.027 1.00 0.16 C ATOM 174 CG LEU A 349 0.811 -8.352 3.802 1.00 0.14 C ATOM 175 CD1 LEU A 349 0.930 -7.160 2.906 1.00 0.14 C ATOM 176 CD2 LEU A 349 -0.499 -8.307 4.521 1.00 0.12 C ATOM 0 H LEU A 349 -1.416 -9.640 2.660 1.00 0.13 H new ATOM 0 HA LEU A 349 0.722 -8.831 1.034 1.00 0.14 H new ATOM 0 HB2 LEU A 349 0.518 -10.451 3.608 1.00 0.16 H new ATOM 0 HB3 LEU A 349 2.038 -9.871 2.956 1.00 0.16 H new ATOM 0 HG LEU A 349 1.617 -8.321 4.535 1.00 0.14 H new ATOM 0 HD11 LEU A 349 0.809 -6.250 3.493 1.00 0.14 H new ATOM 0 HD12 LEU A 349 1.911 -7.158 2.432 1.00 0.14 H new ATOM 0 HD13 LEU A 349 0.156 -7.202 2.139 1.00 0.14 H new ATOM 0 HD21 LEU A 349 -0.583 -7.366 5.065 1.00 0.12 H new ATOM 0 HD22 LEU A 349 -1.313 -8.383 3.800 1.00 0.12 H new ATOM 0 HD23 LEU A 349 -0.558 -9.139 5.223 1.00 0.12 H new ATOM 188 N GLU A 350 0.110 -11.971 1.280 1.00 0.20 N ATOM 189 CA GLU A 350 0.301 -13.310 0.779 1.00 0.24 C ATOM 190 C GLU A 350 0.201 -13.385 -0.725 1.00 0.22 C ATOM 191 O GLU A 350 1.082 -13.896 -1.400 1.00 0.31 O ATOM 192 CB GLU A 350 -0.767 -14.168 1.377 1.00 0.31 C ATOM 193 CG GLU A 350 -0.465 -14.589 2.786 1.00 0.41 C ATOM 194 CD GLU A 350 0.480 -15.766 2.849 1.00 0.84 C ATOM 195 OE1 GLU A 350 0.012 -16.919 2.758 1.00 1.51 O ATOM 196 OE2 GLU A 350 1.699 -15.545 2.990 1.00 0.96 O1- ATOM 0 H GLU A 350 -0.661 -11.900 1.944 1.00 0.20 H new ATOM 0 HA GLU A 350 1.302 -13.644 1.052 1.00 0.24 H new ATOM 0 HB2 GLU A 350 -1.712 -13.625 1.361 1.00 0.31 H new ATOM 0 HB3 GLU A 350 -0.899 -15.056 0.759 1.00 0.31 H new ATOM 0 HG2 GLU A 350 -0.030 -13.749 3.327 1.00 0.41 H new ATOM 0 HG3 GLU A 350 -1.395 -14.847 3.292 1.00 0.41 H new ATOM 203 N ASN A 351 -0.937 -12.939 -1.225 1.00 0.18 N ATOM 204 CA ASN A 351 -1.268 -13.071 -2.630 1.00 0.19 C ATOM 205 C ASN A 351 -0.907 -11.814 -3.364 1.00 0.21 C ATOM 206 O ASN A 351 -1.165 -11.664 -4.560 1.00 0.35 O ATOM 207 CB ASN A 351 -2.758 -13.375 -2.810 1.00 0.27 C ATOM 208 CG ASN A 351 -3.114 -14.784 -2.403 1.00 0.48 C ATOM 209 OD1 ASN A 351 -3.071 -15.714 -3.213 1.00 0.91 O ATOM 210 ND2 ASN A 351 -3.469 -14.953 -1.142 1.00 0.39 N ATOM 0 H ASN A 351 -1.656 -12.476 -0.669 1.00 0.18 H new ATOM 0 HA ASN A 351 -0.695 -13.902 -3.042 1.00 0.19 H new ATOM 0 HB2 ASN A 351 -3.343 -12.671 -2.219 1.00 0.27 H new ATOM 0 HB3 ASN A 351 -3.033 -13.221 -3.853 1.00 0.27 H new ATOM 0 HD21 ASN A 351 -3.722 -15.881 -0.803 1.00 0.39 H new ATOM 0 HD22 ASN A 351 -3.490 -14.155 -0.507 1.00 0.39 H new ATOM 217 N GLN A 352 -0.321 -10.907 -2.575 1.00 0.12 N ATOM 218 CA GLN A 352 0.157 -9.617 -3.038 1.00 0.11 C ATOM 219 C GLN A 352 -0.898 -8.895 -3.846 1.00 0.11 C ATOM 220 O GLN A 352 -0.717 -8.625 -5.023 1.00 0.18 O ATOM 221 CB GLN A 352 1.407 -9.793 -3.865 1.00 0.18 C ATOM 222 CG GLN A 352 2.598 -10.351 -3.095 1.00 0.30 C ATOM 223 CD GLN A 352 3.356 -9.299 -2.324 1.00 1.41 C ATOM 224 OE1 GLN A 352 4.345 -8.765 -2.810 1.00 2.22 O ATOM 225 NE2 GLN A 352 2.918 -9.011 -1.112 1.00 1.92 N ATOM 0 H GLN A 352 -0.167 -11.060 -1.578 1.00 0.12 H new ATOM 0 HA GLN A 352 0.385 -9.011 -2.161 1.00 0.11 H new ATOM 0 HB2 GLN A 352 1.185 -10.458 -4.699 1.00 0.18 H new ATOM 0 HB3 GLN A 352 1.685 -8.829 -4.291 1.00 0.18 H new ATOM 0 HG2 GLN A 352 2.248 -11.117 -2.403 1.00 0.30 H new ATOM 0 HG3 GLN A 352 3.277 -10.839 -3.794 1.00 0.30 H new ATOM 0 HE21 GLN A 352 2.090 -9.479 -0.744 1.00 1.92 H new ATOM 0 HE22 GLN A 352 3.408 -8.320 -0.543 1.00 1.92 H new ATOM 234 N HIS A 353 -1.970 -8.528 -3.193 1.00 0.07 N ATOM 235 CA HIS A 353 -3.089 -7.901 -3.879 1.00 0.07 C ATOM 236 C HIS A 353 -3.737 -6.870 -2.968 1.00 0.06 C ATOM 237 O HIS A 353 -4.051 -7.144 -1.824 1.00 0.07 O ATOM 238 CB HIS A 353 -4.113 -8.961 -4.271 1.00 0.08 C ATOM 239 CG HIS A 353 -4.963 -8.568 -5.443 1.00 0.09 C ATOM 240 ND1 HIS A 353 -4.644 -8.855 -6.753 1.00 0.11 N ATOM 241 CD2 HIS A 353 -6.139 -7.911 -5.490 1.00 0.12 C ATOM 242 CE1 HIS A 353 -5.598 -8.390 -7.542 1.00 0.13 C ATOM 243 NE2 HIS A 353 -6.517 -7.815 -6.801 1.00 0.13 N ATOM 0 H HIS A 353 -2.100 -8.649 -2.188 1.00 0.07 H new ATOM 0 HA HIS A 353 -2.726 -7.405 -4.779 1.00 0.07 H new ATOM 0 HB2 HIS A 353 -3.592 -9.889 -4.505 1.00 0.08 H new ATOM 0 HB3 HIS A 353 -4.758 -9.165 -3.417 1.00 0.08 H new ATOM 0 HD1 HIS A 353 -3.806 -9.347 -7.064 1.00 0.11 H new ATOM 0 HD2 HIS A 353 -6.687 -7.528 -4.642 1.00 0.12 H new ATOM 0 HE1 HIS A 353 -5.618 -8.470 -8.619 1.00 0.13 H new ATOM 252 N MET A 354 -3.877 -5.675 -3.482 1.00 0.05 N ATOM 253 CA MET A 354 -4.457 -4.566 -2.772 1.00 0.05 C ATOM 254 C MET A 354 -5.767 -4.142 -3.419 1.00 0.04 C ATOM 255 O MET A 354 -5.845 -3.923 -4.625 1.00 0.05 O ATOM 256 CB MET A 354 -3.449 -3.436 -2.789 1.00 0.05 C ATOM 257 CG MET A 354 -3.934 -2.211 -2.072 1.00 0.06 C ATOM 258 SD MET A 354 -3.616 -0.705 -2.970 1.00 0.06 S ATOM 259 CE MET A 354 -4.646 -1.070 -4.353 1.00 0.06 C ATOM 0 H MET A 354 -3.583 -5.441 -4.430 1.00 0.05 H new ATOM 0 HA MET A 354 -4.687 -4.847 -1.744 1.00 0.05 H new ATOM 0 HB2 MET A 354 -2.521 -3.776 -2.329 1.00 0.05 H new ATOM 0 HB3 MET A 354 -3.217 -3.178 -3.822 1.00 0.05 H new ATOM 0 HG2 MET A 354 -5.006 -2.302 -1.894 1.00 0.06 H new ATOM 0 HG3 MET A 354 -3.452 -2.154 -1.096 1.00 0.06 H new ATOM 0 HE1 MET A 354 -4.522 -0.298 -5.113 1.00 0.06 H new ATOM 0 HE2 MET A 354 -4.366 -2.038 -4.770 1.00 0.06 H new ATOM 0 HE3 MET A 354 -5.688 -1.100 -4.033 1.00 0.06 H new ATOM 269 N TRP A 355 -6.788 -4.052 -2.586 1.00 0.05 N ATOM 270 CA TRP A 355 -8.141 -3.752 -3.013 1.00 0.05 C ATOM 271 C TRP A 355 -8.610 -2.422 -2.506 1.00 0.05 C ATOM 272 O TRP A 355 -7.962 -1.809 -1.688 1.00 0.05 O ATOM 273 CB TRP A 355 -9.126 -4.774 -2.490 1.00 0.06 C ATOM 274 CG TRP A 355 -8.967 -6.123 -3.059 1.00 0.07 C ATOM 275 CD1 TRP A 355 -9.546 -6.588 -4.184 1.00 0.08 C ATOM 276 CD2 TRP A 355 -8.198 -7.185 -2.516 1.00 0.08 C ATOM 277 NE1 TRP A 355 -9.176 -7.883 -4.401 1.00 0.09 N ATOM 278 CE2 TRP A 355 -8.342 -8.283 -3.374 1.00 0.08 C ATOM 279 CE3 TRP A 355 -7.397 -7.303 -1.386 1.00 0.08 C ATOM 280 CZ2 TRP A 355 -7.699 -9.500 -3.126 1.00 0.10 C ATOM 281 CZ3 TRP A 355 -6.767 -8.494 -1.143 1.00 0.09 C ATOM 282 CH2 TRP A 355 -6.917 -9.586 -2.008 1.00 0.10 C ATOM 0 H TRP A 355 -6.698 -4.187 -1.579 1.00 0.05 H new ATOM 0 HA TRP A 355 -8.106 -3.758 -4.102 1.00 0.05 H new ATOM 0 HB2 TRP A 355 -9.025 -4.836 -1.407 1.00 0.06 H new ATOM 0 HB3 TRP A 355 -10.137 -4.424 -2.696 1.00 0.06 H new ATOM 0 HD1 TRP A 355 -10.207 -6.018 -4.821 1.00 0.08 H new ATOM 0 HE1 TRP A 355 -9.467 -8.460 -5.190 1.00 0.09 H new ATOM 0 HE3 TRP A 355 -7.274 -6.469 -0.711 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 -7.816 -10.341 -3.793 1.00 0.10 H new ATOM 0 HZ3 TRP A 355 -6.142 -8.594 -0.268 1.00 0.09 H new ATOM 0 HH2 TRP A 355 -6.406 -10.512 -1.788 1.00 0.10 H new ATOM 293 N TYR A 356 -9.773 -2.020 -2.964 1.00 0.06 N ATOM 294 CA TYR A 356 -10.495 -0.932 -2.349 1.00 0.06 C ATOM 295 C TYR A 356 -11.852 -1.458 -2.005 1.00 0.06 C ATOM 296 O TYR A 356 -12.607 -1.826 -2.872 1.00 0.07 O ATOM 297 CB TYR A 356 -10.583 0.275 -3.260 1.00 0.06 C ATOM 298 CG TYR A 356 -11.398 1.432 -2.660 1.00 0.08 C ATOM 299 CD1 TYR A 356 -12.728 1.273 -2.333 1.00 0.18 C ATOM 300 CD2 TYR A 356 -10.823 2.666 -2.386 1.00 0.07 C ATOM 301 CE1 TYR A 356 -13.454 2.295 -1.760 1.00 0.22 C ATOM 302 CE2 TYR A 356 -11.542 3.691 -1.802 1.00 0.09 C ATOM 303 CZ TYR A 356 -12.892 3.559 -1.657 1.00 0.13 C ATOM 304 OH TYR A 356 -13.582 4.507 -0.900 1.00 0.20 O ATOM 0 H TYR A 356 -10.242 -2.435 -3.769 1.00 0.06 H new ATOM 0 HA TYR A 356 -9.974 -0.586 -1.456 1.00 0.06 H new ATOM 0 HB2 TYR A 356 -9.576 0.627 -3.484 1.00 0.06 H new ATOM 0 HB3 TYR A 356 -11.033 -0.025 -4.206 1.00 0.06 H new ATOM 0 HD1 TYR A 356 -13.211 0.327 -2.530 1.00 0.18 H new ATOM 0 HD2 TYR A 356 -9.785 2.829 -2.636 1.00 0.07 H new ATOM 0 HE1 TYR A 356 -14.454 2.113 -1.394 1.00 0.22 H new ATOM 0 HE2 TYR A 356 -11.041 4.586 -1.464 1.00 0.09 H new ATOM 0 HH TYR A 356 -13.086 5.352 -0.903 1.00 0.20 H new ATOM 314 N TYR A 357 -12.142 -1.555 -0.740 1.00 0.09 N ATOM 315 CA TYR A 357 -13.406 -2.100 -0.345 1.00 0.11 C ATOM 316 C TYR A 357 -14.420 -1.039 -0.057 1.00 0.12 C ATOM 317 O TYR A 357 -14.220 -0.149 0.752 1.00 0.14 O ATOM 318 CB TYR A 357 -13.312 -3.045 0.842 1.00 0.12 C ATOM 319 CG TYR A 357 -12.933 -4.439 0.455 1.00 0.12 C ATOM 320 CD1 TYR A 357 -11.655 -4.709 0.023 1.00 0.12 C ATOM 321 CD2 TYR A 357 -13.852 -5.480 0.505 1.00 0.14 C ATOM 322 CE1 TYR A 357 -11.286 -5.972 -0.351 1.00 0.14 C ATOM 323 CE2 TYR A 357 -13.491 -6.758 0.130 1.00 0.16 C ATOM 324 CZ TYR A 357 -12.204 -6.999 -0.299 1.00 0.14 C ATOM 325 OH TYR A 357 -11.832 -8.268 -0.678 1.00 0.18 O ATOM 0 H TYR A 357 -11.531 -1.269 0.025 1.00 0.09 H new ATOM 0 HA TYR A 357 -13.736 -2.679 -1.208 1.00 0.11 H new ATOM 0 HB2 TYR A 357 -12.578 -2.659 1.549 1.00 0.12 H new ATOM 0 HB3 TYR A 357 -14.272 -3.066 1.359 1.00 0.12 H new ATOM 0 HD1 TYR A 357 -10.930 -3.910 -0.022 1.00 0.12 H new ATOM 0 HD2 TYR A 357 -14.860 -5.287 0.841 1.00 0.14 H new ATOM 0 HE1 TYR A 357 -10.278 -6.164 -0.686 1.00 0.14 H new ATOM 0 HE2 TYR A 357 -14.211 -7.562 0.172 1.00 0.16 H new ATOM 0 HH TYR A 357 -12.595 -8.875 -0.581 1.00 0.18 H new ATOM 335 N LYS A 358 -15.505 -1.187 -0.736 1.00 0.12 N ATOM 336 CA LYS A 358 -16.645 -0.390 -0.601 1.00 0.14 C ATOM 337 C LYS A 358 -17.839 -1.231 -0.916 1.00 0.17 C ATOM 338 O LYS A 358 -17.815 -2.069 -1.813 1.00 0.19 O ATOM 339 CB LYS A 358 -16.546 0.789 -1.490 1.00 0.18 C ATOM 340 CG LYS A 358 -17.842 1.355 -1.785 1.00 0.24 C ATOM 341 CD LYS A 358 -17.714 2.811 -1.743 1.00 0.28 C ATOM 342 CE LYS A 358 -17.167 3.293 -3.040 1.00 0.42 C ATOM 343 NZ LYS A 358 -17.570 4.685 -3.369 1.00 0.47 N1+ ATOM 0 H LYS A 358 -15.612 -1.917 -1.440 1.00 0.12 H new ATOM 0 HA LYS A 358 -16.739 -0.013 0.417 1.00 0.14 H new ATOM 0 HB2 LYS A 358 -15.918 1.546 -1.020 1.00 0.18 H new ATOM 0 HB3 LYS A 358 -16.056 0.502 -2.420 1.00 0.18 H new ATOM 0 HG2 LYS A 358 -18.186 1.030 -2.767 1.00 0.24 H new ATOM 0 HG3 LYS A 358 -18.581 1.015 -1.060 1.00 0.24 H new ATOM 0 HD2 LYS A 358 -18.685 3.268 -1.552 1.00 0.28 H new ATOM 0 HD3 LYS A 358 -17.057 3.107 -0.925 1.00 0.28 H new ATOM 0 HE2 LYS A 358 -16.079 3.235 -3.011 1.00 0.42 H new ATOM 0 HE3 LYS A 358 -17.501 2.628 -3.836 1.00 0.42 H new ATOM 0 HZ1 LYS A 358 -17.157 4.959 -4.283 1.00 0.47 H new ATOM 0 HZ2 LYS A 358 -18.607 4.742 -3.427 1.00 0.47 H new ATOM 0 HZ3 LYS A 358 -17.229 5.330 -2.628 1.00 0.47 H new ATOM 357 N ASP A 359 -18.861 -1.015 -0.117 1.00 0.23 N ATOM 358 CA ASP A 359 -20.122 -1.697 -0.246 1.00 0.30 C ATOM 359 C ASP A 359 -19.944 -3.127 0.146 1.00 0.27 C ATOM 360 O ASP A 359 -20.774 -3.993 -0.124 1.00 0.33 O ATOM 361 CB ASP A 359 -20.645 -1.573 -1.661 1.00 0.34 C ATOM 362 CG ASP A 359 -22.132 -1.285 -1.710 1.00 0.44 C ATOM 363 OD1 ASP A 359 -22.536 -0.166 -1.336 1.00 0.49 O1- ATOM 364 OD2 ASP A 359 -22.908 -2.177 -2.116 1.00 0.60 O ATOM 0 H ASP A 359 -18.834 -0.347 0.654 1.00 0.23 H new ATOM 0 HA ASP A 359 -20.859 -1.241 0.415 1.00 0.30 H new ATOM 0 HB2 ASP A 359 -20.107 -0.776 -2.175 1.00 0.34 H new ATOM 0 HB3 ASP A 359 -20.440 -2.496 -2.202 1.00 0.34 H new ATOM 369 N GLY A 360 -18.837 -3.326 0.846 1.00 0.22 N ATOM 370 CA GLY A 360 -18.461 -4.620 1.312 1.00 0.21 C ATOM 371 C GLY A 360 -17.894 -5.467 0.210 1.00 0.19 C ATOM 372 O GLY A 360 -17.781 -6.689 0.309 1.00 0.23 O ATOM 0 H GLY A 360 -18.185 -2.584 1.099 1.00 0.22 H new ATOM 0 HA2 GLY A 360 -17.724 -4.519 2.109 1.00 0.21 H new ATOM 0 HA3 GLY A 360 -19.330 -5.118 1.743 1.00 0.21 H new ATOM 376 N LYS A 361 -17.512 -4.766 -0.809 1.00 0.16 N ATOM 377 CA LYS A 361 -17.137 -5.291 -2.082 1.00 0.17 C ATOM 378 C LYS A 361 -15.929 -4.494 -2.516 1.00 0.13 C ATOM 379 O LYS A 361 -15.516 -3.594 -1.796 1.00 0.15 O ATOM 380 CB LYS A 361 -18.350 -5.076 -2.970 1.00 0.22 C ATOM 381 CG LYS A 361 -18.114 -4.899 -4.435 1.00 0.32 C ATOM 382 CD LYS A 361 -17.665 -6.157 -5.144 1.00 0.55 C ATOM 383 CE LYS A 361 -18.159 -7.378 -4.447 1.00 0.52 C ATOM 384 NZ LYS A 361 -17.945 -8.614 -5.241 1.00 0.68 N1+ ATOM 0 H LYS A 361 -17.450 -3.749 -0.771 1.00 0.16 H new ATOM 0 HA LYS A 361 -16.870 -6.348 -2.102 1.00 0.17 H new ATOM 0 HB2 LYS A 361 -19.018 -5.927 -2.838 1.00 0.22 H new ATOM 0 HB3 LYS A 361 -18.880 -4.196 -2.607 1.00 0.22 H new ATOM 0 HG2 LYS A 361 -19.033 -4.541 -4.900 1.00 0.32 H new ATOM 0 HG3 LYS A 361 -17.361 -4.124 -4.580 1.00 0.32 H new ATOM 0 HD2 LYS A 361 -18.031 -6.149 -6.171 1.00 0.55 H new ATOM 0 HD3 LYS A 361 -16.576 -6.180 -5.194 1.00 0.55 H new ATOM 0 HE2 LYS A 361 -17.651 -7.475 -3.487 1.00 0.52 H new ATOM 0 HE3 LYS A 361 -19.222 -7.266 -4.235 1.00 0.52 H new ATOM 0 HZ1 LYS A 361 -18.306 -9.433 -4.712 1.00 0.68 H new ATOM 0 HZ2 LYS A 361 -18.451 -8.537 -6.147 1.00 0.68 H new ATOM 0 HZ3 LYS A 361 -16.928 -8.739 -5.422 1.00 0.68 H new ATOM 398 N VAL A 362 -15.335 -4.790 -3.638 1.00 0.10 N ATOM 399 CA VAL A 362 -14.208 -3.998 -4.026 1.00 0.09 C ATOM 400 C VAL A 362 -14.526 -3.087 -5.148 1.00 0.09 C ATOM 401 O VAL A 362 -15.215 -3.404 -6.119 1.00 0.11 O ATOM 402 CB VAL A 362 -12.910 -4.742 -4.325 1.00 0.18 C ATOM 403 CG1 VAL A 362 -12.627 -5.772 -3.277 1.00 0.53 C ATOM 404 CG2 VAL A 362 -12.885 -5.330 -5.699 1.00 0.52 C ATOM 0 H VAL A 362 -15.599 -5.542 -4.275 1.00 0.10 H new ATOM 0 HA VAL A 362 -14.006 -3.432 -3.117 1.00 0.09 H new ATOM 0 HB VAL A 362 -12.109 -4.004 -4.297 1.00 0.18 H new ATOM 0 HG11 VAL A 362 -11.696 -6.287 -3.515 1.00 0.53 H new ATOM 0 HG12 VAL A 362 -12.535 -5.287 -2.305 1.00 0.53 H new ATOM 0 HG13 VAL A 362 -13.443 -6.494 -3.246 1.00 0.53 H new ATOM 0 HG21 VAL A 362 -11.938 -5.847 -5.856 1.00 0.52 H new ATOM 0 HG22 VAL A 362 -13.707 -6.037 -5.807 1.00 0.52 H new ATOM 0 HG23 VAL A 362 -12.991 -4.535 -6.437 1.00 0.52 H new ATOM 414 N ALA A 363 -13.999 -1.947 -4.935 1.00 0.09 N ATOM 415 CA ALA A 363 -14.043 -0.860 -5.819 1.00 0.10 C ATOM 416 C ALA A 363 -12.820 -0.894 -6.671 1.00 0.10 C ATOM 417 O ALA A 363 -12.779 -0.352 -7.774 1.00 0.12 O ATOM 418 CB ALA A 363 -14.015 0.360 -4.969 1.00 0.11 C ATOM 0 H ALA A 363 -13.490 -1.737 -4.077 1.00 0.09 H new ATOM 0 HA ALA A 363 -14.925 -0.882 -6.458 1.00 0.10 H new ATOM 0 HB1 ALA A 363 -14.047 1.246 -5.603 1.00 0.11 H new ATOM 0 HB2 ALA A 363 -14.878 0.359 -4.303 1.00 0.11 H new ATOM 0 HB3 ALA A 363 -13.100 0.370 -4.377 1.00 0.11 H new ATOM 424 N LEU A 364 -11.810 -1.544 -6.124 1.00 0.08 N ATOM 425 CA LEU A 364 -10.527 -1.547 -6.728 1.00 0.07 C ATOM 426 C LEU A 364 -9.786 -2.794 -6.302 1.00 0.06 C ATOM 427 O LEU A 364 -10.078 -3.372 -5.257 1.00 0.08 O ATOM 428 CB LEU A 364 -9.752 -0.289 -6.362 1.00 0.06 C ATOM 429 CG LEU A 364 -8.799 0.131 -7.452 1.00 0.07 C ATOM 430 CD1 LEU A 364 -9.484 0.971 -8.495 1.00 0.07 C ATOM 431 CD2 LEU A 364 -7.610 0.868 -6.936 1.00 0.06 C ATOM 0 H LEU A 364 -11.873 -2.075 -5.256 1.00 0.08 H new ATOM 0 HA LEU A 364 -10.635 -1.551 -7.813 1.00 0.07 H new ATOM 0 HB2 LEU A 364 -10.453 0.522 -6.162 1.00 0.06 H new ATOM 0 HB3 LEU A 364 -9.195 -0.463 -5.442 1.00 0.06 H new ATOM 0 HG LEU A 364 -8.451 -0.798 -7.903 1.00 0.07 H new ATOM 0 HD11 LEU A 364 -8.765 1.254 -9.264 1.00 0.07 H new ATOM 0 HD12 LEU A 364 -10.294 0.399 -8.948 1.00 0.07 H new ATOM 0 HD13 LEU A 364 -9.890 1.869 -8.030 1.00 0.07 H new ATOM 0 HD21 LEU A 364 -6.963 1.143 -7.769 1.00 0.06 H new ATOM 0 HD22 LEU A 364 -7.937 1.769 -6.418 1.00 0.06 H new ATOM 0 HD23 LEU A 364 -7.060 0.231 -6.243 1.00 0.06 H new ATOM 443 N GLU A 365 -8.853 -3.210 -7.125 1.00 0.07 N ATOM 444 CA GLU A 365 -8.109 -4.451 -6.924 1.00 0.07 C ATOM 445 C GLU A 365 -6.899 -4.459 -7.806 1.00 0.07 C ATOM 446 O GLU A 365 -7.008 -4.338 -9.025 1.00 0.09 O ATOM 447 CB GLU A 365 -8.909 -5.705 -7.269 1.00 0.09 C ATOM 448 CG GLU A 365 -10.279 -5.430 -7.848 1.00 0.22 C ATOM 449 CD GLU A 365 -10.715 -6.490 -8.831 1.00 0.26 C ATOM 450 OE1 GLU A 365 -10.312 -6.415 -10.008 1.00 0.60 O1- ATOM 451 OE2 GLU A 365 -11.467 -7.408 -8.432 1.00 0.61 O ATOM 0 H GLU A 365 -8.579 -2.698 -7.964 1.00 0.07 H new ATOM 0 HA GLU A 365 -7.858 -4.477 -5.864 1.00 0.07 H new ATOM 0 HB2 GLU A 365 -8.339 -6.301 -7.982 1.00 0.09 H new ATOM 0 HB3 GLU A 365 -9.023 -6.308 -6.368 1.00 0.09 H new ATOM 0 HG2 GLU A 365 -11.006 -5.369 -7.038 1.00 0.22 H new ATOM 0 HG3 GLU A 365 -10.272 -4.460 -8.344 1.00 0.22 H new ATOM 458 N THR A 366 -5.755 -4.595 -7.209 1.00 0.06 N ATOM 459 CA THR A 366 -4.564 -4.773 -7.966 1.00 0.06 C ATOM 460 C THR A 366 -3.590 -5.653 -7.245 1.00 0.06 C ATOM 461 O THR A 366 -3.727 -5.928 -6.063 1.00 0.07 O ATOM 462 CB THR A 366 -3.937 -3.430 -8.290 1.00 0.07 C ATOM 463 OG1 THR A 366 -2.672 -3.605 -8.913 1.00 0.09 O ATOM 464 CG2 THR A 366 -3.796 -2.622 -7.034 1.00 0.07 C ATOM 0 H THR A 366 -5.625 -4.585 -6.197 1.00 0.06 H new ATOM 0 HA THR A 366 -4.828 -5.267 -8.901 1.00 0.06 H new ATOM 0 HB THR A 366 -4.585 -2.897 -8.985 1.00 0.07 H new ATOM 0 HG1 THR A 366 -2.799 -3.969 -9.814 1.00 0.09 H new ATOM 0 HG21 THR A 366 -3.345 -1.658 -7.270 1.00 0.07 H new ATOM 0 HG22 THR A 366 -4.779 -2.464 -6.591 1.00 0.07 H new ATOM 0 HG23 THR A 366 -3.161 -3.156 -6.327 1.00 0.07 H new ATOM 472 N ASP A 367 -2.617 -6.083 -7.981 1.00 0.07 N ATOM 473 CA ASP A 367 -1.532 -6.831 -7.460 1.00 0.10 C ATOM 474 C ASP A 367 -0.541 -5.837 -6.944 1.00 0.10 C ATOM 475 O ASP A 367 -0.465 -4.711 -7.442 1.00 0.11 O ATOM 476 CB ASP A 367 -0.919 -7.665 -8.561 1.00 0.15 C ATOM 477 CG ASP A 367 -1.715 -8.918 -8.872 1.00 1.14 C ATOM 478 OD1 ASP A 367 -2.246 -9.534 -7.923 1.00 1.88 O ATOM 479 OD2 ASP A 367 -1.793 -9.314 -10.054 1.00 1.54 O1- ATOM 0 H ASP A 367 -2.558 -5.917 -8.986 1.00 0.07 H new ATOM 0 HA ASP A 367 -1.852 -7.507 -6.667 1.00 0.10 H new ATOM 0 HB2 ASP A 367 -0.837 -7.060 -9.464 1.00 0.15 H new ATOM 0 HB3 ASP A 367 0.094 -7.947 -8.274 1.00 0.15 H new ATOM 484 N ILE A 368 0.161 -6.228 -5.930 1.00 0.09 N ATOM 485 CA ILE A 368 1.120 -5.367 -5.281 1.00 0.09 C ATOM 486 C ILE A 368 2.319 -6.149 -4.820 1.00 0.09 C ATOM 487 O ILE A 368 2.477 -7.322 -5.145 1.00 0.11 O ATOM 488 CB ILE A 368 0.504 -4.665 -4.077 1.00 0.08 C ATOM 489 CG1 ILE A 368 -0.163 -5.704 -3.193 1.00 0.08 C ATOM 490 CG2 ILE A 368 -0.474 -3.592 -4.523 1.00 0.08 C ATOM 491 CD1 ILE A 368 0.626 -6.035 -1.955 1.00 0.11 C ATOM 0 H ILE A 368 0.091 -7.159 -5.519 1.00 0.09 H new ATOM 0 HA ILE A 368 1.428 -4.623 -6.015 1.00 0.09 H new ATOM 0 HB ILE A 368 1.282 -4.163 -3.502 1.00 0.08 H new ATOM 0 HG12 ILE A 368 -1.148 -5.342 -2.900 1.00 0.08 H new ATOM 0 HG13 ILE A 368 -0.317 -6.616 -3.770 1.00 0.08 H new ATOM 0 HG21 ILE A 368 -0.902 -3.103 -3.648 1.00 0.08 H new ATOM 0 HG22 ILE A 368 0.048 -2.854 -5.131 1.00 0.08 H new ATOM 0 HG23 ILE A 368 -1.271 -4.048 -5.110 1.00 0.08 H new ATOM 0 HD11 ILE A 368 0.090 -6.783 -1.371 1.00 0.11 H new ATOM 0 HD12 ILE A 368 1.602 -6.428 -2.240 1.00 0.11 H new ATOM 0 HD13 ILE A 368 0.758 -5.134 -1.356 1.00 0.11 H new ATOM 503 N VAL A 369 3.157 -5.483 -4.061 1.00 0.09 N ATOM 504 CA VAL A 369 4.286 -6.117 -3.423 1.00 0.09 C ATOM 505 C VAL A 369 4.633 -5.337 -2.164 1.00 0.09 C ATOM 506 O VAL A 369 4.819 -4.131 -2.199 1.00 0.11 O ATOM 507 CB VAL A 369 5.493 -6.317 -4.388 1.00 0.10 C ATOM 508 CG1 VAL A 369 5.414 -5.429 -5.606 1.00 0.10 C ATOM 509 CG2 VAL A 369 6.819 -6.116 -3.694 1.00 0.12 C ATOM 0 H VAL A 369 3.075 -4.485 -3.868 1.00 0.09 H new ATOM 0 HA VAL A 369 4.014 -7.132 -3.135 1.00 0.09 H new ATOM 0 HB VAL A 369 5.431 -7.353 -4.720 1.00 0.10 H new ATOM 0 HG11 VAL A 369 6.279 -5.609 -6.244 1.00 0.10 H new ATOM 0 HG12 VAL A 369 4.502 -5.651 -6.160 1.00 0.10 H new ATOM 0 HG13 VAL A 369 5.404 -4.384 -5.295 1.00 0.10 H new ATOM 0 HG21 VAL A 369 7.629 -6.266 -4.407 1.00 0.12 H new ATOM 0 HG22 VAL A 369 6.870 -5.103 -3.294 1.00 0.12 H new ATOM 0 HG23 VAL A 369 6.916 -6.833 -2.879 1.00 0.12 H new ATOM 519 N SER A 370 4.576 -6.018 -1.036 1.00 0.09 N ATOM 520 CA SER A 370 4.614 -5.362 0.252 1.00 0.10 C ATOM 521 C SER A 370 5.381 -6.139 1.311 1.00 0.10 C ATOM 522 O SER A 370 5.282 -7.358 1.385 1.00 0.10 O ATOM 523 CB SER A 370 3.191 -5.181 0.716 1.00 0.12 C ATOM 524 OG SER A 370 3.137 -4.955 2.101 1.00 0.70 O ATOM 0 H SER A 370 4.503 -7.034 -0.988 1.00 0.09 H new ATOM 0 HA SER A 370 5.137 -4.414 0.125 1.00 0.10 H new ATOM 0 HB2 SER A 370 2.737 -4.342 0.189 1.00 0.12 H new ATOM 0 HB3 SER A 370 2.608 -6.067 0.466 1.00 0.12 H new ATOM 0 HG SER A 370 3.769 -4.246 2.342 1.00 0.70 H new ATOM 530 N GLY A 371 6.094 -5.412 2.157 1.00 0.09 N ATOM 531 CA GLY A 371 6.550 -5.981 3.405 1.00 0.10 C ATOM 532 C GLY A 371 7.683 -6.999 3.330 1.00 0.11 C ATOM 533 O GLY A 371 7.574 -8.032 3.978 1.00 0.13 O ATOM 0 H GLY A 371 6.364 -4.441 2.001 1.00 0.09 H new ATOM 0 HA2 GLY A 371 6.871 -5.165 4.052 1.00 0.10 H new ATOM 0 HA3 GLY A 371 5.699 -6.457 3.891 1.00 0.10 H new ATOM 537 N LYS A 372 8.740 -6.745 2.549 1.00 0.11 N ATOM 538 CA LYS A 372 9.802 -7.708 2.332 1.00 0.14 C ATOM 539 C LYS A 372 10.244 -8.315 3.646 1.00 0.16 C ATOM 540 O LYS A 372 10.245 -7.651 4.671 1.00 0.19 O ATOM 541 CB LYS A 372 10.971 -7.021 1.659 1.00 0.17 C ATOM 542 CG LYS A 372 11.581 -5.907 2.456 1.00 0.22 C ATOM 543 CD LYS A 372 13.021 -6.177 2.631 1.00 0.30 C ATOM 544 CE LYS A 372 13.874 -5.073 2.062 1.00 0.47 C ATOM 545 NZ LYS A 372 15.328 -5.374 2.135 1.00 0.48 N1+ ATOM 0 H LYS A 372 8.874 -5.863 2.054 1.00 0.11 H new ATOM 0 HA LYS A 372 9.431 -8.509 1.692 1.00 0.14 H new ATOM 0 HB2 LYS A 372 11.740 -7.764 1.449 1.00 0.17 H new ATOM 0 HB3 LYS A 372 10.640 -6.625 0.699 1.00 0.17 H new ATOM 0 HG2 LYS A 372 11.435 -4.955 1.946 1.00 0.22 H new ATOM 0 HG3 LYS A 372 11.092 -5.826 3.427 1.00 0.22 H new ATOM 0 HD2 LYS A 372 13.242 -6.296 3.692 1.00 0.30 H new ATOM 0 HD3 LYS A 372 13.275 -7.119 2.145 1.00 0.30 H new ATOM 0 HE2 LYS A 372 13.594 -4.903 1.022 1.00 0.47 H new ATOM 0 HE3 LYS A 372 13.671 -4.148 2.602 1.00 0.47 H new ATOM 0 HZ1 LYS A 372 15.867 -4.582 1.730 1.00 0.48 H new ATOM 0 HZ2 LYS A 372 15.605 -5.510 3.128 1.00 0.48 H new ATOM 0 HZ3 LYS A 372 15.530 -6.241 1.598 1.00 0.48 H new ATOM 559 N PRO A 373 10.605 -9.591 3.597 1.00 0.18 N ATOM 560 CA PRO A 373 10.936 -10.435 4.752 1.00 0.20 C ATOM 561 C PRO A 373 11.655 -9.732 5.916 1.00 0.20 C ATOM 562 O PRO A 373 11.470 -10.097 7.078 1.00 0.22 O ATOM 563 CB PRO A 373 11.826 -11.451 4.087 1.00 0.23 C ATOM 564 CG PRO A 373 11.101 -11.714 2.833 1.00 0.22 C ATOM 565 CD PRO A 373 10.725 -10.351 2.350 1.00 0.19 C ATOM 0 HA PRO A 373 10.047 -10.816 5.255 1.00 0.20 H new ATOM 0 HB2 PRO A 373 12.827 -11.061 3.906 1.00 0.23 H new ATOM 0 HB3 PRO A 373 11.939 -12.352 4.690 1.00 0.23 H new ATOM 0 HG2 PRO A 373 11.727 -12.237 2.110 1.00 0.22 H new ATOM 0 HG3 PRO A 373 10.222 -12.336 3.001 1.00 0.22 H new ATOM 0 HD2 PRO A 373 11.485 -9.931 1.691 1.00 0.19 H new ATOM 0 HD3 PRO A 373 9.789 -10.363 1.791 1.00 0.19 H new ATOM 573 N THR A 374 12.465 -8.726 5.603 1.00 0.20 N ATOM 574 CA THR A 374 13.225 -8.001 6.605 1.00 0.23 C ATOM 575 C THR A 374 12.361 -6.949 7.292 1.00 0.20 C ATOM 576 O THR A 374 12.506 -6.690 8.486 1.00 0.23 O ATOM 577 CB THR A 374 14.434 -7.308 5.953 1.00 0.28 C ATOM 578 OG1 THR A 374 14.074 -6.006 5.458 1.00 0.28 O ATOM 579 CG2 THR A 374 14.941 -8.139 4.796 1.00 0.30 C ATOM 0 H THR A 374 12.610 -8.394 4.650 1.00 0.20 H new ATOM 0 HA THR A 374 13.566 -8.720 7.350 1.00 0.23 H new ATOM 0 HB THR A 374 15.210 -7.203 6.712 1.00 0.28 H new ATOM 0 HG1 THR A 374 14.858 -5.583 5.049 1.00 0.28 H new ATOM 0 HG21 THR A 374 15.797 -7.642 4.339 1.00 0.30 H new ATOM 0 HG22 THR A 374 15.243 -9.122 5.158 1.00 0.30 H new ATOM 0 HG23 THR A 374 14.149 -8.253 4.055 1.00 0.30 H new ATOM 587 N THR A 375 11.468 -6.341 6.522 1.00 0.18 N ATOM 588 CA THR A 375 10.601 -5.298 7.034 1.00 0.18 C ATOM 589 C THR A 375 9.199 -5.439 6.455 1.00 0.14 C ATOM 590 O THR A 375 8.769 -4.682 5.581 1.00 0.13 O ATOM 591 CB THR A 375 11.153 -3.896 6.752 1.00 0.23 C ATOM 592 OG1 THR A 375 12.572 -3.871 6.977 1.00 0.30 O ATOM 593 CG2 THR A 375 10.478 -2.885 7.658 1.00 0.27 C ATOM 0 H THR A 375 11.328 -6.557 5.535 1.00 0.18 H new ATOM 0 HA THR A 375 10.556 -5.419 8.116 1.00 0.18 H new ATOM 0 HB THR A 375 10.951 -3.641 5.712 1.00 0.23 H new ATOM 0 HG1 THR A 375 13.013 -4.487 6.355 1.00 0.30 H new ATOM 0 HG21 THR A 375 10.875 -1.891 7.453 1.00 0.27 H new ATOM 0 HG22 THR A 375 9.404 -2.892 7.474 1.00 0.27 H new ATOM 0 HG23 THR A 375 10.670 -3.144 8.699 1.00 0.27 H new ATOM 601 N PRO A 376 8.508 -6.456 6.942 1.00 0.13 N ATOM 602 CA PRO A 376 7.163 -6.845 6.526 1.00 0.11 C ATOM 603 C PRO A 376 6.077 -5.888 6.968 1.00 0.11 C ATOM 604 O PRO A 376 6.257 -5.053 7.858 1.00 0.15 O ATOM 605 CB PRO A 376 6.959 -8.181 7.224 1.00 0.14 C ATOM 606 CG PRO A 376 8.308 -8.611 7.598 1.00 0.16 C ATOM 607 CD PRO A 376 9.025 -7.366 7.940 1.00 0.15 C ATOM 0 HA PRO A 376 7.090 -6.866 5.439 1.00 0.11 H new ATOM 0 HB2 PRO A 376 6.319 -8.077 8.100 1.00 0.14 H new ATOM 0 HB3 PRO A 376 6.481 -8.905 6.564 1.00 0.14 H new ATOM 0 HG2 PRO A 376 8.283 -9.297 8.444 1.00 0.16 H new ATOM 0 HG3 PRO A 376 8.797 -9.135 6.777 1.00 0.16 H new ATOM 0 HD2 PRO A 376 8.806 -7.031 8.954 1.00 0.15 H new ATOM 0 HD3 PRO A 376 10.106 -7.482 7.869 1.00 0.15 H new ATOM 615 N THR A 377 4.943 -6.042 6.311 1.00 0.08 N ATOM 616 CA THR A 377 3.752 -5.297 6.611 1.00 0.08 C ATOM 617 C THR A 377 3.107 -5.796 7.899 1.00 0.08 C ATOM 618 O THR A 377 3.232 -6.960 8.274 1.00 0.11 O ATOM 619 CB THR A 377 2.757 -5.454 5.458 1.00 0.09 C ATOM 620 OG1 THR A 377 3.359 -6.258 4.438 1.00 0.12 O ATOM 621 CG2 THR A 377 2.352 -4.119 4.878 1.00 0.11 C ATOM 0 H THR A 377 4.830 -6.702 5.542 1.00 0.08 H new ATOM 0 HA THR A 377 4.022 -4.249 6.740 1.00 0.08 H new ATOM 0 HB THR A 377 1.856 -5.931 5.844 1.00 0.09 H new ATOM 0 HG1 THR A 377 3.287 -5.799 3.575 1.00 0.12 H new ATOM 0 HG21 THR A 377 1.646 -4.276 4.063 1.00 0.11 H new ATOM 0 HG22 THR A 377 1.883 -3.513 5.653 1.00 0.11 H new ATOM 0 HG23 THR A 377 3.235 -3.604 4.499 1.00 0.11 H new ATOM 629 N PRO A 378 2.376 -4.894 8.548 1.00 0.07 N ATOM 630 CA PRO A 378 1.806 -5.078 9.878 1.00 0.07 C ATOM 631 C PRO A 378 0.528 -5.903 9.886 1.00 0.07 C ATOM 632 O PRO A 378 0.399 -6.840 10.673 1.00 0.09 O ATOM 633 CB PRO A 378 1.484 -3.653 10.323 1.00 0.08 C ATOM 634 CG PRO A 378 1.801 -2.754 9.178 1.00 0.09 C ATOM 635 CD PRO A 378 2.028 -3.604 7.993 1.00 0.08 C ATOM 0 HA PRO A 378 2.498 -5.620 10.523 1.00 0.07 H new ATOM 0 HB2 PRO A 378 0.434 -3.565 10.603 1.00 0.08 H new ATOM 0 HB3 PRO A 378 2.071 -3.381 11.200 1.00 0.08 H new ATOM 0 HG2 PRO A 378 0.981 -2.058 8.999 1.00 0.09 H new ATOM 0 HG3 PRO A 378 2.686 -2.155 9.395 1.00 0.09 H new ATOM 0 HD2 PRO A 378 1.136 -3.665 7.369 1.00 0.08 H new ATOM 0 HD3 PRO A 378 2.828 -3.210 7.367 1.00 0.08 H new ATOM 643 N ALA A 379 -0.413 -5.532 9.013 1.00 0.06 N ATOM 644 CA ALA A 379 -1.717 -6.170 8.927 1.00 0.07 C ATOM 645 C ALA A 379 -2.595 -5.926 10.145 1.00 0.07 C ATOM 646 O ALA A 379 -2.228 -6.216 11.286 1.00 0.09 O ATOM 647 CB ALA A 379 -1.556 -7.629 8.607 1.00 0.08 C ATOM 0 H ALA A 379 -0.284 -4.774 8.343 1.00 0.06 H new ATOM 0 HA ALA A 379 -2.258 -5.698 8.107 1.00 0.07 H new ATOM 0 HB1 ALA A 379 -2.538 -8.098 8.545 1.00 0.08 H new ATOM 0 HB2 ALA A 379 -1.041 -7.737 7.653 1.00 0.08 H new ATOM 0 HB3 ALA A 379 -0.973 -8.111 9.391 1.00 0.08 H new ATOM 653 N GLY A 380 -3.767 -5.364 9.867 1.00 0.08 N ATOM 654 CA GLY A 380 -4.710 -5.014 10.899 1.00 0.10 C ATOM 655 C GLY A 380 -5.764 -4.071 10.383 1.00 0.10 C ATOM 656 O GLY A 380 -6.435 -4.362 9.397 1.00 0.11 O ATOM 0 H GLY A 380 -4.080 -5.143 8.922 1.00 0.08 H new ATOM 0 HA2 GLY A 380 -5.184 -5.918 11.282 1.00 0.10 H new ATOM 0 HA3 GLY A 380 -4.183 -4.552 11.734 1.00 0.10 H new ATOM 660 N VAL A 381 -5.883 -2.931 11.032 1.00 0.11 N ATOM 661 CA VAL A 381 -6.827 -1.919 10.640 1.00 0.12 C ATOM 662 C VAL A 381 -6.097 -0.594 10.495 1.00 0.12 C ATOM 663 O VAL A 381 -5.564 -0.033 11.454 1.00 0.21 O ATOM 664 CB VAL A 381 -7.992 -1.824 11.640 1.00 0.16 C ATOM 665 CG1 VAL A 381 -7.541 -1.364 13.021 1.00 0.89 C ATOM 666 CG2 VAL A 381 -9.108 -0.939 11.096 1.00 0.87 C ATOM 0 H VAL A 381 -5.323 -2.685 11.848 1.00 0.11 H new ATOM 0 HA VAL A 381 -7.267 -2.186 9.679 1.00 0.12 H new ATOM 0 HB VAL A 381 -8.387 -2.832 11.764 1.00 0.16 H new ATOM 0 HG11 VAL A 381 -8.402 -1.314 13.687 1.00 0.89 H new ATOM 0 HG12 VAL A 381 -6.814 -2.071 13.420 1.00 0.89 H new ATOM 0 HG13 VAL A 381 -7.084 -0.377 12.945 1.00 0.89 H new ATOM 0 HG21 VAL A 381 -9.919 -0.889 11.822 1.00 0.87 H new ATOM 0 HG22 VAL A 381 -8.721 0.064 10.914 1.00 0.87 H new ATOM 0 HG23 VAL A 381 -9.483 -1.358 10.162 1.00 0.87 H new ATOM 676 N PHE A 382 -6.021 -0.136 9.275 1.00 0.10 N ATOM 677 CA PHE A 382 -5.188 0.979 8.933 1.00 0.10 C ATOM 678 C PHE A 382 -6.050 2.136 8.460 1.00 0.09 C ATOM 679 O PHE A 382 -7.198 1.925 8.089 1.00 0.11 O ATOM 680 CB PHE A 382 -4.293 0.507 7.810 1.00 0.16 C ATOM 681 CG PHE A 382 -3.404 -0.632 8.187 1.00 0.11 C ATOM 682 CD1 PHE A 382 -2.261 -0.427 8.937 1.00 0.14 C ATOM 683 CD2 PHE A 382 -3.720 -1.915 7.782 1.00 0.08 C ATOM 684 CE1 PHE A 382 -1.449 -1.487 9.271 1.00 0.15 C ATOM 685 CE2 PHE A 382 -2.919 -2.973 8.116 1.00 0.08 C ATOM 686 CZ PHE A 382 -1.783 -2.761 8.858 1.00 0.10 C ATOM 0 H PHE A 382 -6.538 -0.529 8.489 1.00 0.10 H new ATOM 0 HA PHE A 382 -4.605 1.323 9.787 1.00 0.10 H new ATOM 0 HB2 PHE A 382 -4.913 0.208 6.965 1.00 0.16 H new ATOM 0 HB3 PHE A 382 -3.677 1.341 7.474 1.00 0.16 H new ATOM 0 HD1 PHE A 382 -2.004 0.570 9.263 1.00 0.14 H new ATOM 0 HD2 PHE A 382 -4.610 -2.085 7.195 1.00 0.08 H new ATOM 0 HE1 PHE A 382 -0.555 -1.323 9.854 1.00 0.15 H new ATOM 0 HE2 PHE A 382 -3.179 -3.971 7.797 1.00 0.08 H new ATOM 0 HZ PHE A 382 -1.148 -3.595 9.120 1.00 0.10 H new ATOM 696 N TYR A 383 -5.513 3.346 8.473 1.00 0.08 N ATOM 697 CA TYR A 383 -6.252 4.513 7.988 1.00 0.09 C ATOM 698 C TYR A 383 -5.317 5.510 7.377 1.00 0.09 C ATOM 699 O TYR A 383 -4.272 5.796 7.953 1.00 0.11 O ATOM 700 CB TYR A 383 -7.027 5.234 9.089 1.00 0.12 C ATOM 701 CG TYR A 383 -8.028 4.386 9.848 1.00 0.25 C ATOM 702 CD1 TYR A 383 -9.239 4.017 9.280 1.00 0.39 C ATOM 703 CD2 TYR A 383 -7.758 3.961 11.143 1.00 0.53 C ATOM 704 CE1 TYR A 383 -10.152 3.250 9.978 1.00 0.51 C ATOM 705 CE2 TYR A 383 -8.666 3.192 11.847 1.00 0.64 C ATOM 706 CZ TYR A 383 -9.861 2.840 11.259 1.00 0.54 C ATOM 707 OH TYR A 383 -10.769 2.074 11.955 1.00 0.69 O ATOM 0 H TYR A 383 -4.573 3.551 8.811 1.00 0.08 H new ATOM 0 HA TYR A 383 -6.960 4.125 7.255 1.00 0.09 H new ATOM 0 HB2 TYR A 383 -6.312 5.646 9.802 1.00 0.12 H new ATOM 0 HB3 TYR A 383 -7.555 6.077 8.644 1.00 0.12 H new ATOM 0 HD1 TYR A 383 -9.472 4.335 8.275 1.00 0.39 H new ATOM 0 HD2 TYR A 383 -6.823 4.236 11.608 1.00 0.53 H new ATOM 0 HE1 TYR A 383 -11.090 2.973 9.520 1.00 0.51 H new ATOM 0 HE2 TYR A 383 -8.440 2.869 12.852 1.00 0.64 H new ATOM 0 HH TYR A 383 -10.410 1.868 12.843 1.00 0.69 H new ATOM 717 N VAL A 384 -5.692 6.079 6.249 1.00 0.09 N ATOM 718 CA VAL A 384 -4.863 7.098 5.667 1.00 0.10 C ATOM 719 C VAL A 384 -4.993 8.394 6.455 1.00 0.11 C ATOM 720 O VAL A 384 -6.077 8.973 6.573 1.00 0.13 O ATOM 721 CB VAL A 384 -5.147 7.321 4.166 1.00 0.11 C ATOM 722 CG1 VAL A 384 -6.607 7.126 3.849 1.00 0.12 C ATOM 723 CG2 VAL A 384 -4.700 8.701 3.740 1.00 0.14 C ATOM 0 H VAL A 384 -6.543 5.857 5.733 1.00 0.09 H new ATOM 0 HA VAL A 384 -3.832 6.749 5.727 1.00 0.10 H new ATOM 0 HB VAL A 384 -4.578 6.578 3.608 1.00 0.11 H new ATOM 0 HG11 VAL A 384 -6.773 7.290 2.784 1.00 0.12 H new ATOM 0 HG12 VAL A 384 -6.903 6.110 4.110 1.00 0.12 H new ATOM 0 HG13 VAL A 384 -7.202 7.836 4.423 1.00 0.12 H new ATOM 0 HG21 VAL A 384 -4.908 8.840 2.679 1.00 0.14 H new ATOM 0 HG22 VAL A 384 -5.239 9.452 4.317 1.00 0.14 H new ATOM 0 HG23 VAL A 384 -3.630 8.807 3.916 1.00 0.14 H new ATOM 733 N TRP A 385 -3.879 8.830 7.016 1.00 0.12 N ATOM 734 CA TRP A 385 -3.879 9.994 7.875 1.00 0.14 C ATOM 735 C TRP A 385 -3.264 11.201 7.210 1.00 0.16 C ATOM 736 O TRP A 385 -3.151 12.272 7.805 1.00 0.19 O ATOM 737 CB TRP A 385 -3.144 9.719 9.162 1.00 0.16 C ATOM 738 CG TRP A 385 -1.802 9.113 8.943 1.00 0.15 C ATOM 739 CD1 TRP A 385 -1.528 7.798 8.783 1.00 0.14 C ATOM 740 CD2 TRP A 385 -0.557 9.801 8.857 1.00 0.15 C ATOM 741 NE1 TRP A 385 -0.174 7.618 8.614 1.00 0.14 N ATOM 742 CE2 TRP A 385 0.443 8.838 8.662 1.00 0.15 C ATOM 743 CE3 TRP A 385 -0.197 11.140 8.934 1.00 0.17 C ATOM 744 CZ2 TRP A 385 1.787 9.177 8.543 1.00 0.15 C ATOM 745 CZ3 TRP A 385 1.127 11.480 8.816 1.00 0.18 C ATOM 746 CH2 TRP A 385 2.112 10.503 8.626 1.00 0.17 C ATOM 0 H TRP A 385 -2.965 8.394 6.891 1.00 0.12 H new ATOM 0 HA TRP A 385 -4.926 10.213 8.086 1.00 0.14 H new ATOM 0 HB2 TRP A 385 -3.031 10.651 9.716 1.00 0.16 H new ATOM 0 HB3 TRP A 385 -3.743 9.051 9.781 1.00 0.16 H new ATOM 0 HD1 TRP A 385 -2.263 7.007 8.787 1.00 0.14 H new ATOM 0 HE1 TRP A 385 0.293 6.722 8.476 1.00 0.14 H new ATOM 0 HE3 TRP A 385 -0.948 11.902 9.084 1.00 0.17 H new ATOM 0 HZ2 TRP A 385 2.544 8.422 8.391 1.00 0.15 H new ATOM 0 HZ3 TRP A 385 1.415 12.520 8.871 1.00 0.18 H new ATOM 0 HH2 TRP A 385 3.147 10.802 8.544 1.00 0.17 H new ATOM 757 N ASN A 386 -2.879 11.019 5.977 1.00 0.16 N ATOM 758 CA ASN A 386 -2.298 12.086 5.190 1.00 0.21 C ATOM 759 C ASN A 386 -2.423 11.708 3.738 1.00 0.20 C ATOM 760 O ASN A 386 -2.430 10.534 3.402 1.00 0.18 O ATOM 761 CB ASN A 386 -0.830 12.296 5.553 1.00 0.24 C ATOM 762 CG ASN A 386 -0.261 13.560 4.966 1.00 0.32 C ATOM 763 OD1 ASN A 386 0.290 13.462 3.781 1.00 0.41 O flip ATOM 764 ND2 ASN A 386 -0.319 14.623 5.579 1.00 0.31 N flip ATOM 0 H ASN A 386 -2.957 10.129 5.484 1.00 0.16 H new ATOM 0 HA ASN A 386 -2.822 13.020 5.391 1.00 0.21 H new ATOM 0 HB2 ASN A 386 -0.729 12.327 6.638 1.00 0.24 H new ATOM 0 HB3 ASN A 386 -0.248 11.444 5.203 1.00 0.24 H new ATOM 0 HD21 ASN A 386 -0.756 14.658 6.500 1.00 0.31 H new ATOM 0 HD22 ASN A 386 0.070 15.471 5.167 1.00 0.31 H new ATOM 771 N LYS A 387 -2.563 12.680 2.886 1.00 0.22 N ATOM 772 CA LYS A 387 -2.673 12.409 1.488 1.00 0.22 C ATOM 773 C LYS A 387 -1.523 13.100 0.788 1.00 0.19 C ATOM 774 O LYS A 387 -1.340 14.314 0.883 1.00 0.24 O ATOM 775 CB LYS A 387 -4.046 12.832 0.969 1.00 0.32 C ATOM 776 CG LYS A 387 -4.148 14.255 0.525 1.00 1.09 C ATOM 777 CD LYS A 387 -5.506 14.790 0.867 1.00 0.96 C ATOM 778 CE LYS A 387 -6.585 13.949 0.267 1.00 0.57 C ATOM 779 NZ LYS A 387 -7.624 14.768 -0.412 1.00 0.67 N1+ ATOM 0 H LYS A 387 -2.603 13.668 3.137 1.00 0.22 H new ATOM 0 HA LYS A 387 -2.601 11.341 1.284 1.00 0.22 H new ATOM 0 HB2 LYS A 387 -4.315 12.187 0.132 1.00 0.32 H new ATOM 0 HB3 LYS A 387 -4.782 12.659 1.754 1.00 0.32 H new ATOM 0 HG2 LYS A 387 -3.377 14.854 1.009 1.00 1.09 H new ATOM 0 HG3 LYS A 387 -3.978 14.325 -0.549 1.00 1.09 H new ATOM 0 HD2 LYS A 387 -5.625 14.821 1.950 1.00 0.96 H new ATOM 0 HD3 LYS A 387 -5.597 15.815 0.507 1.00 0.96 H new ATOM 0 HE2 LYS A 387 -6.146 13.255 -0.450 1.00 0.57 H new ATOM 0 HE3 LYS A 387 -7.051 13.348 1.048 1.00 0.57 H new ATOM 0 HZ1 LYS A 387 -8.566 14.387 -0.190 1.00 0.67 H new ATOM 0 HZ2 LYS A 387 -7.562 15.752 -0.081 1.00 0.67 H new ATOM 0 HZ3 LYS A 387 -7.472 14.738 -1.440 1.00 0.67 H new ATOM 793 N GLU A 388 -0.706 12.298 0.172 1.00 0.18 N ATOM 794 CA GLU A 388 0.503 12.749 -0.426 1.00 0.18 C ATOM 795 C GLU A 388 0.556 12.393 -1.876 1.00 0.23 C ATOM 796 O GLU A 388 0.298 11.280 -2.287 1.00 0.38 O ATOM 797 CB GLU A 388 1.659 12.168 0.352 1.00 0.16 C ATOM 798 CG GLU A 388 2.346 13.219 1.170 1.00 0.16 C ATOM 799 CD GLU A 388 3.388 12.667 2.117 1.00 0.20 C ATOM 800 OE1 GLU A 388 3.009 12.163 3.192 1.00 0.32 O1- ATOM 801 OE2 GLU A 388 4.592 12.747 1.800 1.00 0.32 O ATOM 0 H GLU A 388 -0.869 11.296 0.073 1.00 0.18 H new ATOM 0 HA GLU A 388 0.560 13.837 -0.386 1.00 0.18 H new ATOM 0 HB2 GLU A 388 1.298 11.374 1.005 1.00 0.16 H new ATOM 0 HB3 GLU A 388 2.373 11.715 -0.336 1.00 0.16 H new ATOM 0 HG2 GLU A 388 2.820 13.936 0.500 1.00 0.16 H new ATOM 0 HG3 GLU A 388 1.599 13.766 1.745 1.00 0.16 H new ATOM 808 N GLU A 389 0.822 13.393 -2.642 1.00 0.17 N ATOM 809 CA GLU A 389 0.900 13.278 -4.051 1.00 0.19 C ATOM 810 C GLU A 389 2.212 13.804 -4.518 1.00 0.21 C ATOM 811 O GLU A 389 2.644 14.868 -4.071 1.00 0.26 O ATOM 812 CB GLU A 389 -0.202 14.092 -4.654 1.00 0.21 C ATOM 813 CG GLU A 389 -1.578 13.645 -4.263 1.00 0.30 C ATOM 814 CD GLU A 389 -2.214 14.511 -3.192 1.00 1.06 C ATOM 815 OE1 GLU A 389 -1.526 14.870 -2.216 1.00 1.96 O1- ATOM 816 OE2 GLU A 389 -3.402 14.867 -3.344 1.00 1.18 O ATOM 0 H GLU A 389 0.995 14.336 -2.294 1.00 0.17 H new ATOM 0 HA GLU A 389 0.804 12.234 -4.348 1.00 0.19 H new ATOM 0 HB2 GLU A 389 -0.073 15.133 -4.360 1.00 0.21 H new ATOM 0 HB3 GLU A 389 -0.114 14.055 -5.740 1.00 0.21 H new ATOM 0 HG2 GLU A 389 -2.216 13.646 -5.146 1.00 0.30 H new ATOM 0 HG3 GLU A 389 -1.530 12.616 -3.906 1.00 0.30 H new ATOM 823 N ASP A 390 2.822 13.078 -5.403 1.00 0.20 N ATOM 824 CA ASP A 390 4.156 13.423 -5.870 1.00 0.19 C ATOM 825 C ASP A 390 5.055 13.565 -4.645 1.00 0.21 C ATOM 826 O ASP A 390 5.876 14.479 -4.507 1.00 0.40 O ATOM 827 CB ASP A 390 4.095 14.712 -6.676 1.00 0.24 C ATOM 828 CG ASP A 390 5.424 15.119 -7.283 1.00 0.26 C ATOM 829 OD1 ASP A 390 6.142 14.239 -7.800 1.00 0.38 O1- ATOM 830 OD2 ASP A 390 5.750 16.329 -7.255 1.00 0.36 O ATOM 0 H ASP A 390 2.428 12.238 -5.826 1.00 0.20 H new ATOM 0 HA ASP A 390 4.561 12.650 -6.523 1.00 0.19 H new ATOM 0 HB2 ASP A 390 3.362 14.596 -7.474 1.00 0.24 H new ATOM 0 HB3 ASP A 390 3.739 15.516 -6.031 1.00 0.24 H new ATOM 835 N ALA A 391 4.788 12.665 -3.726 1.00 0.15 N ATOM 836 CA ALA A 391 5.414 12.622 -2.437 1.00 0.16 C ATOM 837 C ALA A 391 6.621 11.721 -2.430 1.00 0.15 C ATOM 838 O ALA A 391 6.879 10.965 -3.365 1.00 0.16 O ATOM 839 CB ALA A 391 4.393 12.150 -1.419 1.00 0.16 C ATOM 0 H ALA A 391 4.105 11.921 -3.867 1.00 0.15 H new ATOM 0 HA ALA A 391 5.765 13.622 -2.183 1.00 0.16 H new ATOM 0 HB1 ALA A 391 4.854 12.112 -0.432 1.00 0.16 H new ATOM 0 HB2 ALA A 391 3.551 12.842 -1.400 1.00 0.16 H new ATOM 0 HB3 ALA A 391 4.039 11.156 -1.693 1.00 0.16 H new ATOM 845 N THR A 392 7.338 11.805 -1.347 1.00 0.16 N ATOM 846 CA THR A 392 8.557 11.066 -1.176 1.00 0.17 C ATOM 847 C THR A 392 8.534 10.308 0.127 1.00 0.16 C ATOM 848 O THR A 392 8.646 10.861 1.223 1.00 0.18 O ATOM 849 CB THR A 392 9.803 11.952 -1.235 1.00 0.20 C ATOM 850 OG1 THR A 392 10.049 12.372 -2.585 1.00 0.27 O ATOM 851 CG2 THR A 392 11.016 11.194 -0.690 1.00 0.22 C ATOM 0 H THR A 392 7.092 12.393 -0.551 1.00 0.16 H new ATOM 0 HA THR A 392 8.616 10.368 -2.011 1.00 0.17 H new ATOM 0 HB THR A 392 9.634 12.835 -0.618 1.00 0.20 H new ATOM 0 HG1 THR A 392 10.847 12.940 -2.611 1.00 0.27 H new ATOM 0 HG21 THR A 392 11.897 11.835 -0.737 1.00 0.22 H new ATOM 0 HG22 THR A 392 10.831 10.907 0.345 1.00 0.22 H new ATOM 0 HG23 THR A 392 11.186 10.300 -1.289 1.00 0.22 H new ATOM 859 N LEU A 393 8.333 9.043 -0.035 1.00 0.15 N ATOM 860 CA LEU A 393 8.378 8.090 1.018 1.00 0.16 C ATOM 861 C LEU A 393 9.783 7.793 1.395 1.00 0.17 C ATOM 862 O LEU A 393 10.699 8.040 0.627 1.00 0.18 O ATOM 863 CB LEU A 393 7.706 6.853 0.531 1.00 0.16 C ATOM 864 CG LEU A 393 6.201 6.924 0.500 1.00 0.19 C ATOM 865 CD1 LEU A 393 5.726 7.994 -0.462 1.00 0.16 C ATOM 866 CD2 LEU A 393 5.645 5.600 0.081 1.00 0.24 C ATOM 0 H LEU A 393 8.124 8.630 -0.944 1.00 0.15 H new ATOM 0 HA LEU A 393 7.875 8.481 1.902 1.00 0.16 H new ATOM 0 HB2 LEU A 393 8.066 6.632 -0.474 1.00 0.16 H new ATOM 0 HB3 LEU A 393 8.004 6.020 1.167 1.00 0.16 H new ATOM 0 HG LEU A 393 5.850 7.177 1.501 1.00 0.19 H new ATOM 0 HD11 LEU A 393 4.636 8.023 -0.464 1.00 0.16 H new ATOM 0 HD12 LEU A 393 6.114 8.963 -0.149 1.00 0.16 H new ATOM 0 HD13 LEU A 393 6.085 7.766 -1.466 1.00 0.16 H new ATOM 0 HD21 LEU A 393 4.557 5.653 0.059 1.00 0.24 H new ATOM 0 HD22 LEU A 393 6.016 5.347 -0.912 1.00 0.24 H new ATOM 0 HD23 LEU A 393 5.957 4.833 0.790 1.00 0.24 H new ATOM 878 N LYS A 394 9.944 7.302 2.585 1.00 0.20 N ATOM 879 CA LYS A 394 11.205 7.004 3.116 1.00 0.24 C ATOM 880 C LYS A 394 11.082 5.844 4.045 1.00 0.30 C ATOM 881 O LYS A 394 9.999 5.274 4.184 1.00 0.38 O ATOM 882 CB LYS A 394 11.745 8.203 3.812 1.00 0.29 C ATOM 883 CG LYS A 394 12.501 9.021 2.862 1.00 0.29 C ATOM 884 CD LYS A 394 12.042 10.429 2.827 1.00 0.61 C ATOM 885 CE LYS A 394 12.566 11.183 4.017 1.00 0.52 C ATOM 886 NZ LYS A 394 12.256 12.633 3.946 1.00 0.67 N1+ ATOM 0 H LYS A 394 9.170 7.098 3.218 1.00 0.20 H new ATOM 0 HA LYS A 394 11.899 6.735 2.320 1.00 0.24 H new ATOM 0 HB2 LYS A 394 10.930 8.785 4.241 1.00 0.29 H new ATOM 0 HB3 LYS A 394 12.388 7.898 4.638 1.00 0.29 H new ATOM 0 HG2 LYS A 394 13.558 8.994 3.127 1.00 0.29 H new ATOM 0 HG3 LYS A 394 12.411 8.589 1.865 1.00 0.29 H new ATOM 0 HD2 LYS A 394 12.383 10.906 1.908 1.00 0.61 H new ATOM 0 HD3 LYS A 394 10.953 10.462 2.819 1.00 0.61 H new ATOM 0 HE2 LYS A 394 12.135 10.766 4.927 1.00 0.52 H new ATOM 0 HE3 LYS A 394 13.645 11.047 4.084 1.00 0.52 H new ATOM 0 HZ1 LYS A 394 12.637 13.111 4.787 1.00 0.67 H new ATOM 0 HZ2 LYS A 394 12.688 13.039 3.092 1.00 0.67 H new ATOM 0 HZ3 LYS A 394 11.225 12.766 3.909 1.00 0.67 H new ATOM 1015 N GLU A 404 14.012 5.920 0.162 1.00 0.28 N ATOM 1016 CA GLU A 404 12.914 6.727 -0.339 1.00 0.24 C ATOM 1017 C GLU A 404 12.087 5.971 -1.345 1.00 0.24 C ATOM 1018 O GLU A 404 12.512 4.973 -1.923 1.00 0.31 O ATOM 1019 CB GLU A 404 13.382 8.002 -1.008 1.00 0.27 C ATOM 1020 CG GLU A 404 13.718 9.139 -0.088 1.00 0.29 C ATOM 1021 CD GLU A 404 14.682 10.116 -0.719 1.00 0.36 C ATOM 1022 OE1 GLU A 404 14.267 10.860 -1.628 1.00 0.45 O ATOM 1023 OE2 GLU A 404 15.854 10.164 -0.289 1.00 0.62 O1- ATOM 0 HA GLU A 404 12.320 6.975 0.541 1.00 0.24 H new ATOM 0 HB2 GLU A 404 14.263 7.773 -1.608 1.00 0.27 H new ATOM 0 HB3 GLU A 404 12.605 8.334 -1.697 1.00 0.27 H new ATOM 0 HG2 GLU A 404 12.803 9.662 0.190 1.00 0.29 H new ATOM 0 HG3 GLU A 404 14.152 8.745 0.831 1.00 0.29 H new ATOM 1030 N SER A 405 10.895 6.472 -1.518 1.00 0.20 N ATOM 1031 CA SER A 405 9.968 5.998 -2.480 1.00 0.20 C ATOM 1032 C SER A 405 9.360 7.212 -3.177 1.00 0.18 C ATOM 1033 O SER A 405 8.510 7.914 -2.617 1.00 0.23 O ATOM 1034 CB SER A 405 8.924 5.181 -1.735 1.00 0.26 C ATOM 1035 OG SER A 405 7.610 5.522 -2.113 1.00 1.33 O ATOM 0 H SER A 405 10.539 7.252 -0.965 1.00 0.20 H new ATOM 0 HA SER A 405 10.428 5.366 -3.240 1.00 0.20 H new ATOM 0 HB2 SER A 405 9.091 4.121 -1.926 1.00 0.26 H new ATOM 0 HB3 SER A 405 9.043 5.335 -0.662 1.00 0.26 H new ATOM 0 HG SER A 405 7.516 5.436 -3.085 1.00 1.33 H new ATOM 1041 N PRO A 406 9.867 7.542 -4.368 1.00 0.18 N ATOM 1042 CA PRO A 406 9.302 8.592 -5.185 1.00 0.19 C ATOM 1043 C PRO A 406 7.935 8.187 -5.674 1.00 0.17 C ATOM 1044 O PRO A 406 7.786 7.424 -6.629 1.00 0.17 O ATOM 1045 CB PRO A 406 10.284 8.695 -6.343 1.00 0.20 C ATOM 1046 CG PRO A 406 10.856 7.343 -6.424 1.00 0.19 C ATOM 1047 CD PRO A 406 11.017 6.931 -5.003 1.00 0.18 C ATOM 0 HA PRO A 406 9.170 9.536 -4.656 1.00 0.19 H new ATOM 0 HB2 PRO A 406 9.784 8.976 -7.270 1.00 0.20 H new ATOM 0 HB3 PRO A 406 11.051 9.446 -6.154 1.00 0.20 H new ATOM 0 HG2 PRO A 406 10.197 6.663 -6.964 1.00 0.19 H new ATOM 0 HG3 PRO A 406 11.811 7.345 -6.949 1.00 0.19 H new ATOM 0 HD2 PRO A 406 11.014 5.847 -4.892 1.00 0.18 H new ATOM 0 HD3 PRO A 406 11.954 7.292 -4.579 1.00 0.18 H new ATOM 1055 N VAL A 407 6.954 8.732 -5.036 1.00 0.17 N ATOM 1056 CA VAL A 407 5.615 8.383 -5.261 1.00 0.17 C ATOM 1057 C VAL A 407 4.847 9.567 -5.810 1.00 0.19 C ATOM 1058 O VAL A 407 5.282 10.713 -5.758 1.00 0.30 O ATOM 1059 CB VAL A 407 5.086 7.882 -3.920 1.00 0.16 C ATOM 1060 CG1 VAL A 407 3.828 8.590 -3.513 1.00 0.15 C ATOM 1061 CG2 VAL A 407 4.964 6.368 -3.926 1.00 0.23 C ATOM 0 H VAL A 407 7.079 9.453 -4.325 1.00 0.17 H new ATOM 0 HA VAL A 407 5.502 7.602 -6.013 1.00 0.17 H new ATOM 0 HB VAL A 407 5.811 8.131 -3.145 1.00 0.16 H new ATOM 0 HG11 VAL A 407 3.487 8.202 -2.553 1.00 0.15 H new ATOM 0 HG12 VAL A 407 4.024 9.658 -3.424 1.00 0.15 H new ATOM 0 HG13 VAL A 407 3.057 8.425 -4.266 1.00 0.15 H new ATOM 0 HG21 VAL A 407 4.585 6.030 -2.962 1.00 0.23 H new ATOM 0 HG22 VAL A 407 4.276 6.062 -4.714 1.00 0.23 H new ATOM 0 HG23 VAL A 407 5.943 5.925 -4.107 1.00 0.23 H new ATOM 1071 N ASN A 408 3.748 9.232 -6.407 1.00 0.19 N ATOM 1072 CA ASN A 408 2.890 10.141 -7.103 1.00 0.21 C ATOM 1073 C ASN A 408 1.604 10.211 -6.344 1.00 0.19 C ATOM 1074 O ASN A 408 0.931 11.235 -6.284 1.00 0.26 O ATOM 1075 CB ASN A 408 2.682 9.525 -8.461 1.00 0.34 C ATOM 1076 CG ASN A 408 3.998 9.286 -9.120 1.00 1.01 C ATOM 1077 OD1 ASN A 408 4.593 8.189 -8.729 1.00 1.84 O flip ATOM 1078 ND2 ASN A 408 4.477 10.066 -9.941 1.00 1.01 N flip ATOM 0 H ASN A 408 3.407 8.271 -6.424 1.00 0.19 H new ATOM 0 HA ASN A 408 3.293 11.149 -7.196 1.00 0.21 H new ATOM 0 HB2 ASN A 408 2.139 8.585 -8.364 1.00 0.34 H new ATOM 0 HB3 ASN A 408 2.071 10.184 -9.078 1.00 0.34 H new ATOM 0 HD21 ASN A 408 3.963 10.907 -10.206 1.00 1.01 H new ATOM 0 HD22 ASN A 408 5.388 9.872 -10.357 1.00 1.01 H new ATOM 1085 N TYR A 409 1.301 9.083 -5.749 1.00 0.15 N ATOM 1086 CA TYR A 409 0.137 8.948 -4.887 1.00 0.15 C ATOM 1087 C TYR A 409 0.485 8.145 -3.648 1.00 0.14 C ATOM 1088 O TYR A 409 0.827 6.964 -3.731 1.00 0.15 O ATOM 1089 CB TYR A 409 -1.027 8.301 -5.615 1.00 0.19 C ATOM 1090 CG TYR A 409 -1.460 9.066 -6.838 1.00 0.23 C ATOM 1091 CD1 TYR A 409 -2.005 10.334 -6.717 1.00 0.38 C ATOM 1092 CD2 TYR A 409 -1.303 8.535 -8.110 1.00 0.31 C ATOM 1093 CE1 TYR A 409 -2.387 11.055 -7.824 1.00 0.44 C ATOM 1094 CE2 TYR A 409 -1.680 9.252 -9.227 1.00 0.34 C ATOM 1095 CZ TYR A 409 -2.222 10.512 -9.080 1.00 0.35 C ATOM 1096 OH TYR A 409 -2.598 11.233 -10.190 1.00 0.41 O ATOM 0 H TYR A 409 1.850 8.229 -5.844 1.00 0.15 H new ATOM 0 HA TYR A 409 -0.168 9.951 -4.590 1.00 0.15 H new ATOM 0 HB2 TYR A 409 -0.747 7.289 -5.907 1.00 0.19 H new ATOM 0 HB3 TYR A 409 -1.871 8.213 -4.931 1.00 0.19 H new ATOM 0 HD1 TYR A 409 -2.132 10.764 -5.735 1.00 0.38 H new ATOM 0 HD2 TYR A 409 -0.880 7.548 -8.227 1.00 0.31 H new ATOM 0 HE1 TYR A 409 -2.814 12.041 -7.710 1.00 0.44 H new ATOM 0 HE2 TYR A 409 -1.551 8.829 -10.212 1.00 0.34 H new ATOM 0 HH TYR A 409 -2.028 10.987 -10.948 1.00 0.41 H new ATOM 1106 N TRP A 410 0.395 8.805 -2.518 1.00 0.13 N ATOM 1107 CA TRP A 410 0.732 8.237 -1.230 1.00 0.11 C ATOM 1108 C TRP A 410 -0.430 8.331 -0.285 1.00 0.10 C ATOM 1109 O TRP A 410 -1.080 9.370 -0.161 1.00 0.12 O ATOM 1110 CB TRP A 410 1.914 8.997 -0.635 1.00 0.12 C ATOM 1111 CG TRP A 410 2.358 8.544 0.718 1.00 0.11 C ATOM 1112 CD1 TRP A 410 2.720 9.355 1.739 1.00 0.12 C ATOM 1113 CD2 TRP A 410 2.508 7.205 1.198 1.00 0.11 C ATOM 1114 NE1 TRP A 410 3.077 8.618 2.827 1.00 0.13 N ATOM 1115 CE2 TRP A 410 2.968 7.287 2.521 1.00 0.11 C ATOM 1116 CE3 TRP A 410 2.299 5.954 0.640 1.00 0.11 C ATOM 1117 CZ2 TRP A 410 3.225 6.152 3.292 1.00 0.12 C ATOM 1118 CZ3 TRP A 410 2.556 4.833 1.395 1.00 0.11 C ATOM 1119 CH2 TRP A 410 3.020 4.937 2.710 1.00 0.11 C ATOM 0 H TRP A 410 0.079 9.773 -2.465 1.00 0.13 H new ATOM 0 HA TRP A 410 0.988 7.187 -1.373 1.00 0.11 H new ATOM 0 HB2 TRP A 410 2.757 8.916 -1.321 1.00 0.12 H new ATOM 0 HB3 TRP A 410 1.651 10.053 -0.577 1.00 0.12 H new ATOM 0 HD1 TRP A 410 2.725 10.434 1.697 1.00 0.12 H new ATOM 0 HE1 TRP A 410 3.377 8.996 3.725 1.00 0.13 H new ATOM 0 HE3 TRP A 410 1.939 5.860 -0.374 1.00 0.11 H new ATOM 0 HZ2 TRP A 410 3.573 6.234 4.311 1.00 0.12 H new ATOM 0 HZ3 TRP A 410 2.397 3.855 0.964 1.00 0.11 H new ATOM 0 HH2 TRP A 410 3.219 4.038 3.275 1.00 0.11 H new ATOM 1130 N MET A 411 -0.679 7.241 0.381 1.00 0.09 N ATOM 1131 CA MET A 411 -1.669 7.211 1.412 1.00 0.10 C ATOM 1132 C MET A 411 -1.150 6.503 2.657 1.00 0.09 C ATOM 1133 O MET A 411 -1.347 5.301 2.823 1.00 0.10 O ATOM 1134 CB MET A 411 -2.899 6.538 0.874 1.00 0.12 C ATOM 1135 CG MET A 411 -3.891 7.526 0.321 1.00 0.14 C ATOM 1136 SD MET A 411 -4.668 6.929 -1.178 1.00 0.41 S ATOM 1137 CE MET A 411 -5.106 5.289 -0.660 1.00 0.13 C ATOM 0 H MET A 411 -0.203 6.353 0.224 1.00 0.09 H new ATOM 0 HA MET A 411 -1.914 8.230 1.711 1.00 0.10 H new ATOM 0 HB2 MET A 411 -2.614 5.835 0.091 1.00 0.12 H new ATOM 0 HB3 MET A 411 -3.370 5.958 1.667 1.00 0.12 H new ATOM 0 HG2 MET A 411 -4.656 7.729 1.070 1.00 0.14 H new ATOM 0 HG3 MET A 411 -3.387 8.470 0.117 1.00 0.14 H new ATOM 0 HE1 MET A 411 -5.474 4.723 -1.516 1.00 0.13 H new ATOM 0 HE2 MET A 411 -4.229 4.792 -0.246 1.00 0.13 H new ATOM 0 HE3 MET A 411 -5.885 5.344 0.101 1.00 0.13 H new ATOM 1147 N PRO A 412 -0.466 7.240 3.542 1.00 0.09 N ATOM 1148 CA PRO A 412 0.099 6.687 4.776 1.00 0.09 C ATOM 1149 C PRO A 412 -0.970 6.375 5.791 1.00 0.09 C ATOM 1150 O PRO A 412 -1.939 7.113 5.957 1.00 0.09 O ATOM 1151 CB PRO A 412 0.971 7.829 5.290 1.00 0.10 C ATOM 1152 CG PRO A 412 0.271 9.042 4.810 1.00 0.16 C ATOM 1153 CD PRO A 412 -0.190 8.684 3.425 1.00 0.11 C ATOM 0 HA PRO A 412 0.632 5.752 4.605 1.00 0.09 H new ATOM 0 HB2 PRO A 412 1.050 7.815 6.377 1.00 0.10 H new ATOM 0 HB3 PRO A 412 1.985 7.768 4.895 1.00 0.10 H new ATOM 0 HG2 PRO A 412 -0.570 9.297 5.455 1.00 0.16 H new ATOM 0 HG3 PRO A 412 0.936 9.906 4.797 1.00 0.16 H new ATOM 0 HD2 PRO A 412 -1.079 9.245 3.136 1.00 0.11 H new ATOM 0 HD3 PRO A 412 0.575 8.891 2.677 1.00 0.11 H new ATOM 1161 N ILE A 413 -0.779 5.251 6.441 1.00 0.09 N ATOM 1162 CA ILE A 413 -1.751 4.702 7.357 1.00 0.10 C ATOM 1163 C ILE A 413 -1.134 4.454 8.724 1.00 0.14 C ATOM 1164 O ILE A 413 -1.835 4.192 9.700 1.00 0.17 O ATOM 1165 CB ILE A 413 -2.274 3.387 6.804 1.00 0.09 C ATOM 1166 CG1 ILE A 413 -1.154 2.335 6.807 1.00 0.10 C ATOM 1167 CG2 ILE A 413 -2.796 3.640 5.410 1.00 0.09 C ATOM 1168 CD1 ILE A 413 -1.449 1.113 5.975 1.00 0.11 C ATOM 0 H ILE A 413 0.065 4.686 6.348 1.00 0.09 H new ATOM 0 HA ILE A 413 -2.564 5.420 7.467 1.00 0.10 H new ATOM 0 HB ILE A 413 -3.083 3.000 7.424 1.00 0.09 H new ATOM 0 HG12 ILE A 413 -0.237 2.797 6.441 1.00 0.10 H new ATOM 0 HG13 ILE A 413 -0.966 2.024 7.835 1.00 0.10 H new ATOM 0 HG21 ILE A 413 -3.178 2.709 4.990 1.00 0.09 H new ATOM 0 HG22 ILE A 413 -3.599 4.376 5.450 1.00 0.09 H new ATOM 0 HG23 ILE A 413 -1.989 4.017 4.782 1.00 0.09 H new ATOM 0 HD11 ILE A 413 -0.608 0.422 6.032 1.00 0.11 H new ATOM 0 HD12 ILE A 413 -2.347 0.624 6.353 1.00 0.11 H new ATOM 0 HD13 ILE A 413 -1.606 1.408 4.938 1.00 0.11 H new ATOM 1180 N ASP A 414 0.190 4.482 8.762 1.00 0.15 N ATOM 1181 CA ASP A 414 0.924 4.355 10.010 1.00 0.22 C ATOM 1182 C ASP A 414 2.017 5.414 10.064 1.00 0.21 C ATOM 1183 O ASP A 414 2.365 5.989 9.034 1.00 0.22 O ATOM 1184 CB ASP A 414 1.524 2.954 10.152 1.00 0.31 C ATOM 1185 CG ASP A 414 2.023 2.675 11.553 1.00 0.88 C ATOM 1186 OD1 ASP A 414 1.214 2.246 12.401 1.00 1.59 O ATOM 1187 OD2 ASP A 414 3.229 2.874 11.809 1.00 1.23 O1- ATOM 0 H ASP A 414 0.780 4.592 7.937 1.00 0.15 H new ATOM 0 HA ASP A 414 0.236 4.506 10.842 1.00 0.22 H new ATOM 0 HB2 ASP A 414 0.772 2.212 9.883 1.00 0.31 H new ATOM 0 HB3 ASP A 414 2.348 2.842 9.448 1.00 0.31 H new ATOM 1192 N TRP A 415 2.576 5.651 11.239 1.00 0.24 N ATOM 1193 CA TRP A 415 3.581 6.692 11.408 1.00 0.25 C ATOM 1194 C TRP A 415 5.002 6.136 11.343 1.00 0.27 C ATOM 1195 O TRP A 415 5.956 6.813 11.724 1.00 0.31 O ATOM 1196 CB TRP A 415 3.356 7.464 12.703 1.00 0.28 C ATOM 1197 CG TRP A 415 2.267 8.485 12.591 1.00 0.28 C ATOM 1198 CD1 TRP A 415 2.431 9.832 12.481 1.00 0.30 C ATOM 1199 CD2 TRP A 415 0.854 8.249 12.557 1.00 0.27 C ATOM 1200 NE1 TRP A 415 1.209 10.452 12.400 1.00 0.30 N ATOM 1201 CE2 TRP A 415 0.227 9.501 12.441 1.00 0.28 C ATOM 1202 CE3 TRP A 415 0.058 7.104 12.619 1.00 0.27 C ATOM 1203 CZ2 TRP A 415 -1.156 9.639 12.384 1.00 0.28 C ATOM 1204 CZ3 TRP A 415 -1.318 7.248 12.559 1.00 0.27 C ATOM 1205 CH2 TRP A 415 -1.908 8.507 12.444 1.00 0.27 C ATOM 0 H TRP A 415 2.352 5.137 12.091 1.00 0.24 H new ATOM 0 HA TRP A 415 3.469 7.383 10.573 1.00 0.25 H new ATOM 0 HB2 TRP A 415 3.109 6.763 13.500 1.00 0.28 H new ATOM 0 HB3 TRP A 415 4.283 7.959 12.991 1.00 0.28 H new ATOM 0 HD1 TRP A 415 3.384 10.339 12.460 1.00 0.30 H new ATOM 0 HE1 TRP A 415 1.058 11.458 12.322 1.00 0.30 H new ATOM 0 HE3 TRP A 415 0.506 6.126 12.712 1.00 0.27 H new ATOM 0 HZ2 TRP A 415 -1.617 10.612 12.295 1.00 0.28 H new ATOM 0 HZ3 TRP A 415 -1.946 6.370 12.602 1.00 0.27 H new ATOM 0 HH2 TRP A 415 -2.984 8.585 12.402 1.00 0.27 H new ATOM 1216 N THR A 416 5.156 4.919 10.869 1.00 0.27 N ATOM 1217 CA THR A 416 6.484 4.375 10.644 1.00 0.32 C ATOM 1218 C THR A 416 6.843 4.627 9.205 1.00 0.30 C ATOM 1219 O THR A 416 8.008 4.793 8.831 1.00 0.35 O ATOM 1220 CB THR A 416 6.529 2.868 10.921 1.00 0.40 C ATOM 1221 OG1 THR A 416 5.343 2.250 10.402 1.00 0.41 O ATOM 1222 CG2 THR A 416 6.650 2.592 12.409 1.00 0.44 C ATOM 0 H THR A 416 4.389 4.290 10.633 1.00 0.27 H new ATOM 0 HA THR A 416 7.189 4.856 11.322 1.00 0.32 H new ATOM 0 HB THR A 416 7.406 2.450 10.427 1.00 0.40 H new ATOM 0 HG1 THR A 416 4.648 2.244 11.093 1.00 0.41 H new ATOM 0 HG21 THR A 416 6.680 1.516 12.578 1.00 0.44 H new ATOM 0 HG22 THR A 416 7.566 3.045 12.790 1.00 0.44 H new ATOM 0 HG23 THR A 416 5.792 3.017 12.929 1.00 0.44 H new ATOM 1230 N GLY A 417 5.790 4.710 8.422 1.00 0.24 N ATOM 1231 CA GLY A 417 5.912 4.989 7.029 1.00 0.24 C ATOM 1232 C GLY A 417 5.237 3.953 6.184 1.00 0.19 C ATOM 1233 O GLY A 417 5.668 3.667 5.069 1.00 0.20 O ATOM 0 H GLY A 417 4.830 4.584 8.744 1.00 0.24 H new ATOM 0 HA2 GLY A 417 5.480 5.967 6.817 1.00 0.24 H new ATOM 0 HA3 GLY A 417 6.967 5.042 6.762 1.00 0.24 H new ATOM 1237 N VAL A 418 4.169 3.384 6.712 1.00 0.15 N ATOM 1238 CA VAL A 418 3.403 2.428 5.957 1.00 0.11 C ATOM 1239 C VAL A 418 2.142 3.056 5.414 1.00 0.09 C ATOM 1240 O VAL A 418 1.554 3.948 6.030 1.00 0.09 O ATOM 1241 CB VAL A 418 3.048 1.168 6.775 1.00 0.14 C ATOM 1242 CG1 VAL A 418 2.118 0.254 5.998 1.00 0.14 C ATOM 1243 CG2 VAL A 418 4.312 0.426 7.117 1.00 0.17 C ATOM 0 H VAL A 418 3.820 3.569 7.652 1.00 0.15 H new ATOM 0 HA VAL A 418 4.038 2.113 5.129 1.00 0.11 H new ATOM 0 HB VAL A 418 2.537 1.480 7.686 1.00 0.14 H new ATOM 0 HG11 VAL A 418 1.886 -0.625 6.599 1.00 0.14 H new ATOM 0 HG12 VAL A 418 1.197 0.787 5.763 1.00 0.14 H new ATOM 0 HG13 VAL A 418 2.603 -0.057 5.073 1.00 0.14 H new ATOM 0 HG21 VAL A 418 4.066 -0.465 7.695 1.00 0.17 H new ATOM 0 HG22 VAL A 418 4.822 0.134 6.199 1.00 0.17 H new ATOM 0 HG23 VAL A 418 4.965 1.071 7.705 1.00 0.17 H new ATOM 1253 N GLY A 419 1.747 2.578 4.258 1.00 0.10 N ATOM 1254 CA GLY A 419 0.563 3.071 3.606 1.00 0.08 C ATOM 1255 C GLY A 419 0.391 2.454 2.244 1.00 0.08 C ATOM 1256 O GLY A 419 1.064 1.475 1.915 1.00 0.09 O ATOM 0 H GLY A 419 2.235 1.842 3.748 1.00 0.10 H new ATOM 0 HA2 GLY A 419 -0.311 2.852 4.220 1.00 0.08 H new ATOM 0 HA3 GLY A 419 0.622 4.155 3.511 1.00 0.08 H new ATOM 1260 N ILE A 420 -0.487 3.028 1.447 1.00 0.08 N ATOM 1261 CA ILE A 420 -0.665 2.591 0.093 1.00 0.09 C ATOM 1262 C ILE A 420 -0.003 3.598 -0.829 1.00 0.07 C ATOM 1263 O ILE A 420 -0.074 4.802 -0.584 1.00 0.08 O ATOM 1264 CB ILE A 420 -2.162 2.461 -0.246 1.00 0.10 C ATOM 1265 CG1 ILE A 420 -2.539 1.009 -0.478 1.00 0.11 C ATOM 1266 CG2 ILE A 420 -2.509 3.256 -1.470 1.00 0.12 C ATOM 1267 CD1 ILE A 420 -2.724 0.187 0.775 1.00 0.11 C ATOM 0 H ILE A 420 -1.089 3.804 1.724 1.00 0.08 H new ATOM 0 HA ILE A 420 -0.208 1.610 -0.036 1.00 0.09 H new ATOM 0 HB ILE A 420 -2.721 2.850 0.605 1.00 0.10 H new ATOM 0 HG12 ILE A 420 -3.464 0.978 -1.054 1.00 0.11 H new ATOM 0 HG13 ILE A 420 -1.766 0.542 -1.089 1.00 0.11 H new ATOM 0 HG21 ILE A 420 -3.572 3.146 -1.686 1.00 0.12 H new ATOM 0 HG22 ILE A 420 -2.281 4.308 -1.298 1.00 0.12 H new ATOM 0 HG23 ILE A 420 -1.927 2.893 -2.317 1.00 0.12 H new ATOM 0 HD11 ILE A 420 -2.991 -0.834 0.504 1.00 0.11 H new ATOM 0 HD12 ILE A 420 -1.795 0.180 1.346 1.00 0.11 H new ATOM 0 HD13 ILE A 420 -3.519 0.621 1.381 1.00 0.11 H new ATOM 1279 N HIS A 421 0.648 3.124 -1.865 1.00 0.07 N ATOM 1280 CA HIS A 421 1.296 4.025 -2.800 1.00 0.07 C ATOM 1281 C HIS A 421 1.365 3.430 -4.177 1.00 0.09 C ATOM 1282 O HIS A 421 1.216 2.231 -4.364 1.00 0.11 O ATOM 1283 CB HIS A 421 2.719 4.354 -2.380 1.00 0.09 C ATOM 1284 CG HIS A 421 3.610 3.175 -2.243 1.00 0.11 C ATOM 1285 ND1 HIS A 421 4.137 2.519 -3.319 1.00 0.12 N ATOM 1286 CD2 HIS A 421 4.128 2.591 -1.143 1.00 0.13 C ATOM 1287 CE1 HIS A 421 4.977 1.585 -2.853 1.00 0.15 C ATOM 1288 NE2 HIS A 421 5.003 1.585 -1.534 1.00 0.15 N ATOM 0 H HIS A 421 0.745 2.133 -2.084 1.00 0.07 H new ATOM 0 HA HIS A 421 0.690 4.931 -2.804 1.00 0.07 H new ATOM 0 HB2 HIS A 421 3.151 5.037 -3.111 1.00 0.09 H new ATOM 0 HB3 HIS A 421 2.690 4.884 -1.428 1.00 0.09 H new ATOM 0 HD1 HIS A 421 3.929 2.706 -4.300 1.00 0.12 H new ATOM 0 HD2 HIS A 421 3.899 2.862 -0.123 1.00 0.13 H new ATOM 0 HE1 HIS A 421 5.557 0.919 -3.475 1.00 0.15 H new ATOM 1296 N ASP A 422 1.634 4.298 -5.124 1.00 0.11 N ATOM 1297 CA ASP A 422 1.893 3.921 -6.471 1.00 0.14 C ATOM 1298 C ASP A 422 3.367 3.621 -6.598 1.00 0.19 C ATOM 1299 O ASP A 422 4.190 4.212 -5.905 1.00 0.29 O ATOM 1300 CB ASP A 422 1.503 5.071 -7.386 1.00 0.20 C ATOM 1301 CG ASP A 422 2.671 5.935 -7.796 1.00 0.31 C ATOM 1302 OD1 ASP A 422 3.049 6.822 -7.003 1.00 0.33 O1- ATOM 1303 OD2 ASP A 422 3.209 5.738 -8.906 1.00 0.42 O ATOM 0 H ASP A 422 1.677 5.304 -4.964 1.00 0.11 H new ATOM 0 HA ASP A 422 1.316 3.039 -6.751 1.00 0.14 H new ATOM 0 HB2 ASP A 422 1.027 4.668 -8.280 1.00 0.20 H new ATOM 0 HB3 ASP A 422 0.762 5.691 -6.882 1.00 0.20 H new ATOM 1308 N SER A 423 3.701 2.688 -7.435 1.00 0.15 N ATOM 1309 CA SER A 423 5.079 2.348 -7.622 1.00 0.19 C ATOM 1310 C SER A 423 5.377 2.106 -9.054 1.00 0.15 C ATOM 1311 O SER A 423 5.084 1.059 -9.633 1.00 0.16 O ATOM 1312 CB SER A 423 5.428 1.132 -6.809 1.00 0.26 C ATOM 1313 OG SER A 423 5.897 1.525 -5.548 1.00 1.48 O ATOM 0 H SER A 423 3.042 2.150 -7.998 1.00 0.15 H new ATOM 0 HA SER A 423 5.685 3.189 -7.285 1.00 0.19 H new ATOM 0 HB2 SER A 423 4.552 0.493 -6.699 1.00 0.26 H new ATOM 0 HB3 SER A 423 6.188 0.545 -7.324 1.00 0.26 H new ATOM 0 HG SER A 423 6.737 2.018 -5.651 1.00 1.48 H new ATOM 1319 N ASP A 424 5.983 3.117 -9.589 1.00 0.13 N ATOM 1320 CA ASP A 424 6.405 3.132 -10.957 1.00 0.13 C ATOM 1321 C ASP A 424 7.853 2.671 -11.058 1.00 0.12 C ATOM 1322 O ASP A 424 8.297 2.143 -12.075 1.00 0.15 O ATOM 1323 CB ASP A 424 6.174 4.530 -11.463 1.00 0.15 C ATOM 1324 CG ASP A 424 6.806 4.832 -12.802 1.00 0.25 C ATOM 1325 OD1 ASP A 424 6.297 4.331 -13.824 1.00 0.34 O ATOM 1326 OD2 ASP A 424 7.839 5.532 -12.832 1.00 0.35 O1- ATOM 0 H ASP A 424 6.204 3.973 -9.080 1.00 0.13 H new ATOM 0 HA ASP A 424 5.839 2.439 -11.579 1.00 0.13 H new ATOM 0 HB2 ASP A 424 5.100 4.702 -11.537 1.00 0.15 H new ATOM 0 HB3 ASP A 424 6.560 5.236 -10.727 1.00 0.15 H new ATOM 1331 N TRP A 425 8.577 2.897 -9.957 1.00 0.12 N ATOM 1332 CA TRP A 425 9.953 2.430 -9.796 1.00 0.14 C ATOM 1333 C TRP A 425 9.965 0.934 -9.588 1.00 0.15 C ATOM 1334 O TRP A 425 10.953 0.254 -9.849 1.00 0.18 O ATOM 1335 CB TRP A 425 10.585 3.110 -8.582 1.00 0.14 C ATOM 1336 CG TRP A 425 10.142 2.602 -7.248 1.00 0.12 C ATOM 1337 CD1 TRP A 425 10.599 1.522 -6.570 1.00 0.13 C ATOM 1338 CD2 TRP A 425 9.175 3.211 -6.422 1.00 0.12 C ATOM 1339 NE1 TRP A 425 9.985 1.437 -5.344 1.00 0.13 N ATOM 1340 CE2 TRP A 425 9.104 2.473 -5.231 1.00 0.12 C ATOM 1341 CE3 TRP A 425 8.371 4.321 -6.581 1.00 0.14 C ATOM 1342 CZ2 TRP A 425 8.252 2.828 -4.197 1.00 0.14 C ATOM 1343 CZ3 TRP A 425 7.535 4.675 -5.570 1.00 0.16 C ATOM 1344 CH2 TRP A 425 7.476 3.938 -4.384 1.00 0.15 C ATOM 0 H TRP A 425 8.222 3.411 -9.151 1.00 0.12 H new ATOM 0 HA TRP A 425 10.520 2.677 -10.693 1.00 0.14 H new ATOM 0 HB2 TRP A 425 11.667 3.000 -8.650 1.00 0.14 H new ATOM 0 HB3 TRP A 425 10.369 4.177 -8.633 1.00 0.14 H new ATOM 0 HD1 TRP A 425 11.339 0.828 -6.940 1.00 0.13 H new ATOM 0 HE1 TRP A 425 10.158 0.721 -4.638 1.00 0.13 H new ATOM 0 HE3 TRP A 425 8.406 4.898 -7.493 1.00 0.14 H new ATOM 0 HZ2 TRP A 425 8.203 2.253 -3.284 1.00 0.14 H new ATOM 0 HZ3 TRP A 425 6.903 5.543 -5.685 1.00 0.16 H new ATOM 0 HH2 TRP A 425 6.804 4.252 -3.599 1.00 0.15 H new ATOM 1355 N GLN A 426 8.858 0.458 -9.054 1.00 0.15 N ATOM 1356 CA GLN A 426 8.685 -0.936 -8.694 1.00 0.17 C ATOM 1357 C GLN A 426 7.539 -1.497 -9.466 1.00 0.18 C ATOM 1358 O GLN A 426 6.416 -1.637 -8.987 1.00 0.28 O ATOM 1359 CB GLN A 426 8.384 -1.006 -7.240 1.00 0.18 C ATOM 1360 CG GLN A 426 9.504 -1.572 -6.390 1.00 0.58 C ATOM 1361 CD GLN A 426 9.204 -2.950 -5.833 1.00 0.63 C ATOM 1362 OE1 GLN A 426 9.682 -3.300 -4.765 1.00 1.33 O ATOM 1363 NE2 GLN A 426 8.417 -3.748 -6.542 1.00 0.22 N ATOM 0 H GLN A 426 8.042 1.036 -8.855 1.00 0.15 H new ATOM 0 HA GLN A 426 9.587 -1.506 -8.919 1.00 0.17 H new ATOM 0 HB2 GLN A 426 8.146 -0.004 -6.883 1.00 0.18 H new ATOM 0 HB3 GLN A 426 7.492 -1.616 -7.096 1.00 0.18 H new ATOM 0 HG2 GLN A 426 10.414 -1.621 -6.988 1.00 0.58 H new ATOM 0 HG3 GLN A 426 9.702 -0.890 -5.563 1.00 0.58 H new ATOM 0 HE21 GLN A 426 8.033 -3.427 -7.431 1.00 0.22 H new ATOM 0 HE22 GLN A 426 8.196 -4.683 -6.199 1.00 0.22 H new ATOM 1372 N PRO A 427 7.872 -1.826 -10.682 1.00 0.16 N ATOM 1373 CA PRO A 427 6.951 -2.049 -11.756 1.00 0.18 C ATOM 1374 C PRO A 427 6.333 -3.427 -11.763 1.00 0.16 C ATOM 1375 O PRO A 427 5.610 -3.783 -12.694 1.00 0.18 O ATOM 1376 CB PRO A 427 7.860 -1.865 -12.948 1.00 0.23 C ATOM 1377 CG PRO A 427 9.105 -2.483 -12.490 1.00 0.23 C ATOM 1378 CD PRO A 427 9.245 -1.965 -11.121 1.00 0.19 C ATOM 0 HA PRO A 427 6.084 -1.390 -11.710 1.00 0.18 H new ATOM 0 HB2 PRO A 427 7.467 -2.355 -13.839 1.00 0.23 H new ATOM 0 HB3 PRO A 427 7.996 -0.813 -13.197 1.00 0.23 H new ATOM 0 HG2 PRO A 427 9.045 -3.571 -12.506 1.00 0.23 H new ATOM 0 HG3 PRO A 427 9.951 -2.201 -13.117 1.00 0.23 H new ATOM 0 HD2 PRO A 427 9.804 -2.651 -10.485 1.00 0.19 H new ATOM 0 HD3 PRO A 427 9.773 -1.012 -11.102 1.00 0.19 H new ATOM 1386 N GLU A 428 6.626 -4.197 -10.733 1.00 0.14 N ATOM 1387 CA GLU A 428 6.076 -5.521 -10.611 1.00 0.14 C ATOM 1388 C GLU A 428 5.171 -5.582 -9.404 1.00 0.12 C ATOM 1389 O GLU A 428 5.382 -4.876 -8.427 1.00 0.15 O ATOM 1390 CB GLU A 428 7.176 -6.543 -10.461 1.00 0.17 C ATOM 1391 CG GLU A 428 6.858 -7.866 -11.070 1.00 0.22 C ATOM 1392 CD GLU A 428 8.085 -8.635 -11.496 1.00 0.64 C ATOM 1393 OE1 GLU A 428 8.930 -8.940 -10.629 1.00 0.98 O ATOM 1394 OE2 GLU A 428 8.208 -8.940 -12.698 1.00 1.10 O1- ATOM 0 H GLU A 428 7.244 -3.922 -9.970 1.00 0.14 H new ATOM 0 HA GLU A 428 5.508 -5.746 -11.514 1.00 0.14 H new ATOM 0 HB2 GLU A 428 8.086 -6.153 -10.918 1.00 0.17 H new ATOM 0 HB3 GLU A 428 7.386 -6.683 -9.401 1.00 0.17 H new ATOM 0 HG2 GLU A 428 6.294 -8.463 -10.353 1.00 0.22 H new ATOM 0 HG3 GLU A 428 6.213 -7.715 -11.936 1.00 0.22 H new ATOM 1401 N TYR A 429 4.182 -6.440 -9.505 1.00 0.11 N ATOM 1402 CA TYR A 429 3.090 -6.561 -8.551 1.00 0.10 C ATOM 1403 C TYR A 429 2.476 -7.920 -8.716 1.00 0.10 C ATOM 1404 O TYR A 429 2.088 -8.294 -9.825 1.00 0.14 O ATOM 1405 CB TYR A 429 1.984 -5.578 -8.862 1.00 0.13 C ATOM 1406 CG TYR A 429 2.429 -4.284 -9.496 1.00 0.16 C ATOM 1407 CD1 TYR A 429 2.820 -3.211 -8.709 1.00 0.19 C ATOM 1408 CD2 TYR A 429 2.471 -4.141 -10.874 1.00 0.23 C ATOM 1409 CE1 TYR A 429 3.246 -2.030 -9.279 1.00 0.25 C ATOM 1410 CE2 TYR A 429 2.893 -2.963 -11.453 1.00 0.29 C ATOM 1411 CZ TYR A 429 3.282 -1.910 -10.650 1.00 0.30 C ATOM 1412 OH TYR A 429 3.714 -0.735 -11.220 1.00 0.38 O ATOM 0 H TYR A 429 4.108 -7.099 -10.280 1.00 0.11 H new ATOM 0 HA TYR A 429 3.491 -6.384 -7.553 1.00 0.10 H new ATOM 0 HB2 TYR A 429 1.268 -6.061 -9.526 1.00 0.13 H new ATOM 0 HB3 TYR A 429 1.455 -5.347 -7.937 1.00 0.13 H new ATOM 0 HD1 TYR A 429 2.790 -3.302 -7.633 1.00 0.19 H new ATOM 0 HD2 TYR A 429 2.169 -4.965 -11.504 1.00 0.23 H new ATOM 0 HE1 TYR A 429 3.550 -1.204 -8.653 1.00 0.25 H new ATOM 0 HE2 TYR A 429 2.919 -2.865 -12.528 1.00 0.29 H new ATOM 0 HH TYR A 429 4.249 -0.233 -10.570 1.00 0.38 H new ATOM 1422 N GLY A 430 2.400 -8.664 -7.660 1.00 0.10 N ATOM 1423 CA GLY A 430 1.834 -9.973 -7.768 1.00 0.12 C ATOM 1424 C GLY A 430 2.463 -10.913 -6.791 1.00 0.13 C ATOM 1425 O GLY A 430 3.209 -10.461 -5.930 1.00 0.13 O ATOM 0 H GLY A 430 2.716 -8.396 -6.728 1.00 0.10 H new ATOM 0 HA2 GLY A 430 0.760 -9.924 -7.590 1.00 0.12 H new ATOM 0 HA3 GLY A 430 1.973 -10.350 -8.781 1.00 0.12 H new ATOM 1429 N GLY A 431 2.212 -12.213 -6.987 1.00 0.16 N ATOM 1430 CA GLY A 431 2.814 -13.278 -6.185 1.00 0.20 C ATOM 1431 C GLY A 431 4.179 -12.923 -5.642 1.00 0.17 C ATOM 1432 O GLY A 431 4.947 -12.232 -6.314 1.00 0.16 O ATOM 0 H GLY A 431 1.581 -12.555 -7.712 1.00 0.16 H new ATOM 0 HA2 GLY A 431 2.151 -13.515 -5.353 1.00 0.20 H new ATOM 0 HA3 GLY A 431 2.896 -14.178 -6.794 1.00 0.20 H new ATOM 1436 N ASP A 432 4.553 -13.526 -4.520 1.00 0.18 N ATOM 1437 CA ASP A 432 5.409 -12.853 -3.555 1.00 0.18 C ATOM 1438 C ASP A 432 6.681 -12.374 -4.172 1.00 0.18 C ATOM 1439 O ASP A 432 7.658 -13.095 -4.376 1.00 0.19 O ATOM 1440 CB ASP A 432 5.760 -13.797 -2.413 1.00 0.22 C ATOM 1441 CG ASP A 432 4.570 -14.550 -1.852 1.00 0.25 C ATOM 1442 OD1 ASP A 432 4.158 -15.562 -2.462 1.00 0.29 O ATOM 1443 OD2 ASP A 432 4.061 -14.148 -0.790 1.00 0.33 O1- ATOM 0 H ASP A 432 4.279 -14.473 -4.258 1.00 0.18 H new ATOM 0 HA ASP A 432 4.851 -11.993 -3.186 1.00 0.18 H new ATOM 0 HB2 ASP A 432 6.500 -14.516 -2.763 1.00 0.22 H new ATOM 0 HB3 ASP A 432 6.226 -13.224 -1.611 1.00 0.22 H new ATOM 1448 N LEU A 433 6.613 -11.096 -4.426 1.00 0.16 N ATOM 1449 CA LEU A 433 7.680 -10.317 -4.943 1.00 0.15 C ATOM 1450 C LEU A 433 8.358 -9.643 -3.799 1.00 0.14 C ATOM 1451 O LEU A 433 9.547 -9.381 -3.854 1.00 0.15 O ATOM 1452 CB LEU A 433 7.067 -9.339 -5.903 1.00 0.14 C ATOM 1453 CG LEU A 433 6.667 -9.964 -7.223 1.00 0.15 C ATOM 1454 CD1 LEU A 433 5.766 -9.031 -7.993 1.00 0.13 C ATOM 1455 CD2 LEU A 433 7.908 -10.324 -8.013 1.00 0.18 C ATOM 0 H LEU A 433 5.765 -10.552 -4.266 1.00 0.16 H new ATOM 0 HA LEU A 433 8.431 -10.907 -5.467 1.00 0.15 H new ATOM 0 HB2 LEU A 433 6.188 -8.890 -5.441 1.00 0.14 H new ATOM 0 HB3 LEU A 433 7.776 -8.533 -6.091 1.00 0.14 H new ATOM 0 HG LEU A 433 6.106 -10.880 -7.038 1.00 0.15 H new ATOM 0 HD11 LEU A 433 5.487 -9.494 -8.940 1.00 0.13 H new ATOM 0 HD12 LEU A 433 4.868 -8.828 -7.409 1.00 0.13 H new ATOM 0 HD13 LEU A 433 6.291 -8.096 -8.187 1.00 0.13 H new ATOM 0 HD21 LEU A 433 7.617 -10.774 -8.962 1.00 0.18 H new ATOM 0 HD22 LEU A 433 8.493 -9.424 -8.202 1.00 0.18 H new ATOM 0 HD23 LEU A 433 8.508 -11.034 -7.444 1.00 0.18 H new ATOM 1467 N TRP A 434 7.593 -9.354 -2.771 1.00 0.14 N ATOM 1468 CA TRP A 434 8.095 -8.598 -1.643 1.00 0.14 C ATOM 1469 C TRP A 434 9.433 -9.131 -1.168 1.00 0.17 C ATOM 1470 O TRP A 434 10.356 -8.362 -0.895 1.00 0.22 O ATOM 1471 CB TRP A 434 7.065 -8.551 -0.512 1.00 0.15 C ATOM 1472 CG TRP A 434 6.467 -9.876 -0.100 1.00 0.16 C ATOM 1473 CD1 TRP A 434 5.624 -10.663 -0.826 1.00 0.17 C ATOM 1474 CD2 TRP A 434 6.615 -10.532 1.166 1.00 0.16 C ATOM 1475 NE1 TRP A 434 5.267 -11.773 -0.101 1.00 0.18 N ATOM 1476 CE2 TRP A 434 5.864 -11.713 1.123 1.00 0.18 C ATOM 1477 CE3 TRP A 434 7.319 -10.242 2.325 1.00 0.17 C ATOM 1478 CZ2 TRP A 434 5.801 -12.592 2.195 1.00 0.19 C ATOM 1479 CZ3 TRP A 434 7.255 -11.109 3.393 1.00 0.19 C ATOM 1480 CH2 TRP A 434 6.502 -12.274 3.321 1.00 0.19 C ATOM 0 H TRP A 434 6.615 -9.632 -2.691 1.00 0.14 H new ATOM 0 HA TRP A 434 8.262 -7.573 -1.975 1.00 0.14 H new ATOM 0 HB2 TRP A 434 7.536 -8.101 0.362 1.00 0.15 H new ATOM 0 HB3 TRP A 434 6.254 -7.888 -0.814 1.00 0.15 H new ATOM 0 HD1 TRP A 434 5.285 -10.445 -1.828 1.00 0.17 H new ATOM 0 HE1 TRP A 434 4.654 -12.521 -0.426 1.00 0.18 H new ATOM 0 HE3 TRP A 434 7.913 -9.343 2.390 1.00 0.17 H new ATOM 0 HZ2 TRP A 434 5.216 -13.498 2.140 1.00 0.19 H new ATOM 0 HZ3 TRP A 434 7.797 -10.880 4.298 1.00 0.19 H new ATOM 0 HH2 TRP A 434 6.471 -12.939 4.171 1.00 0.19 H new ATOM 1491 N LYS A 435 9.558 -10.453 -1.191 1.00 0.17 N ATOM 1492 CA LYS A 435 10.730 -11.135 -0.698 1.00 0.19 C ATOM 1493 C LYS A 435 11.983 -10.752 -1.437 1.00 0.20 C ATOM 1494 O LYS A 435 13.092 -10.883 -0.920 1.00 0.22 O ATOM 1495 CB LYS A 435 10.506 -12.600 -0.830 1.00 0.20 C ATOM 1496 CG LYS A 435 9.462 -13.045 0.116 1.00 0.22 C ATOM 1497 CD LYS A 435 9.338 -14.521 0.107 1.00 0.26 C ATOM 1498 CE LYS A 435 8.175 -14.908 0.946 1.00 0.35 C ATOM 1499 NZ LYS A 435 8.548 -15.793 2.082 1.00 0.64 N1+ ATOM 0 H LYS A 435 8.840 -11.078 -1.556 1.00 0.17 H new ATOM 0 HA LYS A 435 10.877 -10.845 0.342 1.00 0.19 H new ATOM 0 HB2 LYS A 435 10.207 -12.839 -1.851 1.00 0.20 H new ATOM 0 HB3 LYS A 435 11.435 -13.136 -0.636 1.00 0.20 H new ATOM 0 HG2 LYS A 435 9.706 -12.702 1.121 1.00 0.22 H new ATOM 0 HG3 LYS A 435 8.507 -12.594 -0.151 1.00 0.22 H new ATOM 0 HD2 LYS A 435 9.205 -14.882 -0.913 1.00 0.26 H new ATOM 0 HD3 LYS A 435 10.250 -14.979 0.491 1.00 0.26 H new ATOM 0 HE2 LYS A 435 7.699 -14.008 1.335 1.00 0.35 H new ATOM 0 HE3 LYS A 435 7.438 -15.415 0.324 1.00 0.35 H new ATOM 0 HZ1 LYS A 435 7.697 -16.030 2.631 1.00 0.64 H new ATOM 0 HZ2 LYS A 435 8.978 -16.666 1.715 1.00 0.64 H new ATOM 0 HZ3 LYS A 435 9.230 -15.302 2.695 1.00 0.64 H new ATOM 1513 N THR A 436 11.803 -10.280 -2.637 1.00 0.19 N ATOM 1514 CA THR A 436 12.914 -9.941 -3.477 1.00 0.21 C ATOM 1515 C THR A 436 12.941 -8.446 -3.734 1.00 0.19 C ATOM 1516 O THR A 436 13.999 -7.811 -3.769 1.00 0.23 O ATOM 1517 CB THR A 436 12.799 -10.697 -4.808 1.00 0.22 C ATOM 1518 OG1 THR A 436 11.635 -10.264 -5.524 1.00 0.21 O ATOM 1519 CG2 THR A 436 12.680 -12.179 -4.535 1.00 0.25 C ATOM 0 H THR A 436 10.888 -10.120 -3.058 1.00 0.19 H new ATOM 0 HA THR A 436 13.839 -10.226 -2.976 1.00 0.21 H new ATOM 0 HB THR A 436 13.688 -10.494 -5.405 1.00 0.22 H new ATOM 0 HG1 THR A 436 10.921 -10.048 -4.888 1.00 0.21 H new ATOM 0 HG21 THR A 436 12.598 -12.717 -5.479 1.00 0.25 H new ATOM 0 HG22 THR A 436 13.564 -12.522 -3.997 1.00 0.25 H new ATOM 0 HG23 THR A 436 11.792 -12.368 -3.932 1.00 0.25 H new ATOM 1527 N ARG A 437 11.748 -7.887 -3.875 1.00 0.16 N ATOM 1528 CA ARG A 437 11.591 -6.521 -4.341 1.00 0.15 C ATOM 1529 C ARG A 437 11.696 -5.503 -3.221 1.00 0.17 C ATOM 1530 O ARG A 437 11.915 -4.316 -3.458 1.00 0.20 O ATOM 1531 CB ARG A 437 10.261 -6.397 -5.039 1.00 0.14 C ATOM 1532 CG ARG A 437 10.075 -7.400 -6.127 1.00 0.15 C ATOM 1533 CD ARG A 437 9.301 -6.817 -7.284 1.00 0.17 C ATOM 1534 NE ARG A 437 10.030 -5.703 -7.898 1.00 0.23 N ATOM 1535 CZ ARG A 437 10.493 -5.688 -9.152 1.00 0.30 C ATOM 1536 NH1 ARG A 437 10.289 -6.711 -9.969 1.00 0.34 N1+ ATOM 1537 NH2 ARG A 437 11.180 -4.638 -9.587 1.00 0.36 N ATOM 0 H ARG A 437 10.870 -8.364 -3.671 1.00 0.16 H new ATOM 0 HA ARG A 437 12.407 -6.304 -5.031 1.00 0.15 H new ATOM 0 HB2 ARG A 437 9.461 -6.511 -4.307 1.00 0.14 H new ATOM 0 HB3 ARG A 437 10.169 -5.395 -5.457 1.00 0.14 H new ATOM 0 HG2 ARG A 437 11.048 -7.746 -6.475 1.00 0.15 H new ATOM 0 HG3 ARG A 437 9.548 -8.270 -5.736 1.00 0.15 H new ATOM 0 HD2 ARG A 437 9.117 -7.591 -8.030 1.00 0.17 H new ATOM 0 HD3 ARG A 437 8.327 -6.471 -6.937 1.00 0.17 H new ATOM 0 HE ARG A 437 10.197 -4.876 -7.324 1.00 0.23 H new ATOM 0 HH11 ARG A 437 9.771 -7.528 -9.644 1.00 0.34 H new ATOM 0 HH12 ARG A 437 10.650 -6.682 -10.923 1.00 0.34 H new ATOM 0 HH21 ARG A 437 11.352 -3.848 -8.965 1.00 0.36 H new ATOM 0 HH22 ARG A 437 11.535 -4.622 -10.543 1.00 0.36 H new ATOM 1551 N GLY A 438 11.587 -5.990 -2.006 1.00 0.16 N ATOM 1552 CA GLY A 438 12.104 -5.251 -0.865 1.00 0.17 C ATOM 1553 C GLY A 438 11.272 -4.059 -0.404 1.00 0.17 C ATOM 1554 O GLY A 438 11.836 -3.027 -0.041 1.00 0.21 O ATOM 0 H GLY A 438 11.151 -6.884 -1.778 1.00 0.16 H new ATOM 0 HA2 GLY A 438 12.208 -5.941 -0.028 1.00 0.17 H new ATOM 0 HA3 GLY A 438 13.105 -4.896 -1.111 1.00 0.17 H new ATOM 1558 N SER A 439 9.952 -4.197 -0.380 1.00 0.15 N ATOM 1559 CA SER A 439 9.076 -3.143 0.135 1.00 0.16 C ATOM 1560 C SER A 439 9.068 -3.200 1.666 1.00 0.14 C ATOM 1561 O SER A 439 9.077 -4.269 2.237 1.00 0.20 O ATOM 1562 CB SER A 439 7.671 -3.405 -0.380 1.00 0.22 C ATOM 1563 OG SER A 439 7.723 -3.953 -1.679 1.00 0.47 O ATOM 0 H SER A 439 9.461 -5.028 -0.711 1.00 0.15 H new ATOM 0 HA SER A 439 9.426 -2.163 -0.190 1.00 0.16 H new ATOM 0 HB2 SER A 439 7.152 -4.089 0.291 1.00 0.22 H new ATOM 0 HB3 SER A 439 7.101 -2.476 -0.392 1.00 0.22 H new ATOM 0 HG SER A 439 7.447 -3.275 -2.331 1.00 0.47 H new ATOM 1569 N HIS A 440 9.046 -2.064 2.336 1.00 0.14 N ATOM 1570 CA HIS A 440 9.225 -2.051 3.790 1.00 0.16 C ATOM 1571 C HIS A 440 7.936 -1.667 4.480 1.00 0.16 C ATOM 1572 O HIS A 440 7.808 -0.563 5.005 1.00 0.21 O ATOM 1573 CB HIS A 440 10.330 -1.077 4.209 1.00 0.22 C ATOM 1574 CG HIS A 440 11.667 -1.383 3.647 1.00 0.26 C ATOM 1575 ND1 HIS A 440 12.000 -1.128 2.345 1.00 0.33 N ATOM 1576 CD2 HIS A 440 12.776 -1.893 4.229 1.00 0.30 C ATOM 1577 CE1 HIS A 440 13.249 -1.465 2.147 1.00 0.41 C ATOM 1578 NE2 HIS A 440 13.745 -1.933 3.269 1.00 0.38 N ATOM 0 H HIS A 440 8.909 -1.146 1.912 1.00 0.14 H new ATOM 0 HA HIS A 440 9.515 -3.058 4.090 1.00 0.16 H new ATOM 0 HB2 HIS A 440 10.044 -0.070 3.904 1.00 0.22 H new ATOM 0 HB3 HIS A 440 10.400 -1.073 5.297 1.00 0.22 H new ATOM 0 HD2 HIS A 440 12.876 -2.208 5.257 1.00 0.30 H new ATOM 0 HE1 HIS A 440 13.784 -1.373 1.213 1.00 0.41 H new ATOM 0 HE2 HIS A 440 14.698 -2.271 3.401 1.00 0.38 H new ATOM 1587 N GLY A 441 6.979 -2.587 4.458 1.00 0.15 N ATOM 1588 CA GLY A 441 5.681 -2.326 5.029 1.00 0.16 C ATOM 1589 C GLY A 441 4.809 -1.603 4.039 1.00 0.15 C ATOM 1590 O GLY A 441 3.601 -1.509 4.202 1.00 0.18 O ATOM 0 H GLY A 441 7.085 -3.516 4.050 1.00 0.15 H new ATOM 0 HA2 GLY A 441 5.210 -3.264 5.321 1.00 0.16 H new ATOM 0 HA3 GLY A 441 5.788 -1.728 5.934 1.00 0.16 H new ATOM 1594 N CYS A 442 5.435 -1.123 2.987 1.00 0.14 N ATOM 1595 CA CYS A 442 4.756 -0.344 1.982 1.00 0.16 C ATOM 1596 C CYS A 442 4.212 -1.243 0.887 1.00 0.18 C ATOM 1597 O CYS A 442 4.806 -2.271 0.558 1.00 0.28 O ATOM 1598 CB CYS A 442 5.715 0.686 1.409 1.00 0.20 C ATOM 1599 SG CYS A 442 7.190 -0.021 0.638 1.00 0.83 S ATOM 0 H CYS A 442 6.429 -1.263 2.807 1.00 0.14 H new ATOM 0 HA CYS A 442 3.911 0.173 2.438 1.00 0.16 H new ATOM 0 HB2 CYS A 442 5.185 1.287 0.670 1.00 0.20 H new ATOM 0 HB3 CYS A 442 6.024 1.361 2.207 1.00 0.20 H new ATOM 0 HG CYS A 442 7.941 0.936 0.179 1.00 0.83 H new ATOM 1605 N ILE A 443 3.063 -0.868 0.356 1.00 0.13 N ATOM 1606 CA ILE A 443 2.393 -1.641 -0.659 1.00 0.12 C ATOM 1607 C ILE A 443 2.568 -0.992 -2.021 1.00 0.12 C ATOM 1608 O ILE A 443 2.109 0.128 -2.250 1.00 0.15 O ATOM 1609 CB ILE A 443 0.893 -1.787 -0.322 1.00 0.11 C ATOM 1610 CG1 ILE A 443 0.692 -2.824 0.790 1.00 0.10 C ATOM 1611 CG2 ILE A 443 0.092 -2.169 -1.560 1.00 0.10 C ATOM 1612 CD1 ILE A 443 1.420 -2.540 2.082 1.00 0.10 C ATOM 0 H ILE A 443 2.571 -0.015 0.621 1.00 0.13 H new ATOM 0 HA ILE A 443 2.840 -2.635 -0.689 1.00 0.12 H new ATOM 0 HB ILE A 443 0.529 -0.823 0.032 1.00 0.11 H new ATOM 0 HG12 ILE A 443 -0.374 -2.901 1.003 1.00 0.10 H new ATOM 0 HG13 ILE A 443 1.013 -3.797 0.418 1.00 0.10 H new ATOM 0 HG21 ILE A 443 -0.961 -2.266 -1.296 1.00 0.10 H new ATOM 0 HG22 ILE A 443 0.206 -1.396 -2.320 1.00 0.10 H new ATOM 0 HG23 ILE A 443 0.457 -3.119 -1.951 1.00 0.10 H new ATOM 0 HD11 ILE A 443 1.210 -3.333 2.800 1.00 0.10 H new ATOM 0 HD12 ILE A 443 2.493 -2.496 1.893 1.00 0.10 H new ATOM 0 HD13 ILE A 443 1.083 -1.586 2.487 1.00 0.10 H new ATOM 1624 N ASN A 444 3.256 -1.690 -2.911 1.00 0.14 N ATOM 1625 CA ASN A 444 3.508 -1.163 -4.245 1.00 0.16 C ATOM 1626 C ASN A 444 2.293 -1.338 -5.145 1.00 0.11 C ATOM 1627 O ASN A 444 2.134 -2.373 -5.790 1.00 0.12 O ATOM 1628 CB ASN A 444 4.722 -1.825 -4.906 1.00 0.30 C ATOM 1629 CG ASN A 444 6.021 -1.671 -4.123 1.00 0.88 C ATOM 1630 OD1 ASN A 444 6.378 -2.517 -3.326 1.00 1.56 O ATOM 1631 ND2 ASN A 444 6.746 -0.593 -4.344 1.00 1.77 N ATOM 0 H ASN A 444 3.648 -2.616 -2.737 1.00 0.14 H new ATOM 0 HA ASN A 444 3.717 -0.101 -4.120 1.00 0.16 H new ATOM 0 HB2 ASN A 444 4.515 -2.887 -5.039 1.00 0.30 H new ATOM 0 HB3 ASN A 444 4.857 -1.399 -5.900 1.00 0.30 H new ATOM 0 HD21 ASN A 444 7.624 -0.457 -3.842 1.00 1.77 H new ATOM 0 HD22 ASN A 444 6.429 0.105 -5.017 1.00 1.77 H new ATOM 1638 N THR A 445 1.442 -0.331 -5.180 1.00 0.11 N ATOM 1639 CA THR A 445 0.301 -0.308 -6.068 1.00 0.10 C ATOM 1640 C THR A 445 0.710 0.301 -7.392 1.00 0.11 C ATOM 1641 O THR A 445 1.469 1.259 -7.445 1.00 0.14 O ATOM 1642 CB THR A 445 -0.836 0.500 -5.419 1.00 0.11 C ATOM 1643 OG1 THR A 445 -1.106 -0.034 -4.120 1.00 0.18 O ATOM 1644 CG2 THR A 445 -2.093 0.468 -6.259 1.00 0.14 C ATOM 0 H THR A 445 1.525 0.497 -4.590 1.00 0.11 H new ATOM 0 HA THR A 445 -0.055 -1.322 -6.247 1.00 0.10 H new ATOM 0 HB THR A 445 -0.518 1.540 -5.341 1.00 0.11 H new ATOM 0 HG1 THR A 445 -2.068 0.019 -3.938 1.00 0.18 H new ATOM 0 HG21 THR A 445 -2.873 1.049 -5.768 1.00 0.14 H new ATOM 0 HG22 THR A 445 -1.886 0.894 -7.240 1.00 0.14 H new ATOM 0 HG23 THR A 445 -2.427 -0.563 -6.375 1.00 0.14 H new ATOM 1652 N PRO A 446 0.249 -0.292 -8.482 1.00 0.09 N ATOM 1653 CA PRO A 446 0.546 0.180 -9.821 1.00 0.08 C ATOM 1654 C PRO A 446 0.151 1.628 -9.999 1.00 0.09 C ATOM 1655 O PRO A 446 -0.928 2.026 -9.598 1.00 0.12 O ATOM 1656 CB PRO A 446 -0.297 -0.703 -10.709 1.00 0.09 C ATOM 1657 CG PRO A 446 -0.519 -1.930 -9.904 1.00 0.10 C ATOM 1658 CD PRO A 446 -0.604 -1.475 -8.495 1.00 0.09 C ATOM 0 HA PRO A 446 1.611 0.130 -10.047 1.00 0.08 H new ATOM 0 HB2 PRO A 446 -1.240 -0.222 -10.968 1.00 0.09 H new ATOM 0 HB3 PRO A 446 0.214 -0.929 -11.645 1.00 0.09 H new ATOM 0 HG2 PRO A 446 -1.435 -2.437 -10.208 1.00 0.10 H new ATOM 0 HG3 PRO A 446 0.298 -2.639 -10.038 1.00 0.10 H new ATOM 0 HD2 PRO A 446 -1.628 -1.237 -8.208 1.00 0.09 H new ATOM 0 HD3 PRO A 446 -0.248 -2.237 -7.802 1.00 0.09 H new ATOM 1666 N PRO A 447 1.017 2.414 -10.625 1.00 0.09 N ATOM 1667 CA PRO A 447 0.867 3.873 -10.763 1.00 0.09 C ATOM 1668 C PRO A 447 -0.442 4.269 -11.385 1.00 0.09 C ATOM 1669 O PRO A 447 -1.035 5.294 -11.046 1.00 0.16 O ATOM 1670 CB PRO A 447 2.019 4.201 -11.697 1.00 0.10 C ATOM 1671 CG PRO A 447 3.031 3.220 -11.273 1.00 0.10 C ATOM 1672 CD PRO A 447 2.240 1.959 -11.290 1.00 0.09 C ATOM 0 HA PRO A 447 0.878 4.395 -9.806 1.00 0.09 H new ATOM 0 HB2 PRO A 447 1.744 4.080 -12.745 1.00 0.10 H new ATOM 0 HB3 PRO A 447 2.366 5.227 -11.575 1.00 0.10 H new ATOM 0 HG2 PRO A 447 3.879 3.183 -11.957 1.00 0.10 H new ATOM 0 HG3 PRO A 447 3.429 3.442 -10.283 1.00 0.10 H new ATOM 0 HD2 PRO A 447 2.054 1.598 -12.301 1.00 0.09 H new ATOM 0 HD3 PRO A 447 2.732 1.151 -10.749 1.00 0.09 H new ATOM 1680 N SER A 448 -0.894 3.437 -12.285 1.00 0.08 N ATOM 1681 CA SER A 448 -2.115 3.695 -12.982 1.00 0.09 C ATOM 1682 C SER A 448 -3.297 3.326 -12.105 1.00 0.09 C ATOM 1683 O SER A 448 -4.297 4.034 -12.056 1.00 0.11 O ATOM 1684 CB SER A 448 -2.168 2.903 -14.276 1.00 0.11 C ATOM 1685 OG SER A 448 -1.071 3.219 -15.117 1.00 1.17 O ATOM 0 H SER A 448 -0.427 2.570 -12.551 1.00 0.08 H new ATOM 0 HA SER A 448 -2.160 4.757 -13.222 1.00 0.09 H new ATOM 0 HB2 SER A 448 -2.163 1.836 -14.053 1.00 0.11 H new ATOM 0 HB3 SER A 448 -3.102 3.115 -14.797 1.00 0.11 H new ATOM 0 HG SER A 448 -1.129 2.694 -15.942 1.00 1.17 H new ATOM 1691 N VAL A 449 -3.162 2.218 -11.394 1.00 0.08 N ATOM 1692 CA VAL A 449 -4.226 1.738 -10.532 1.00 0.09 C ATOM 1693 C VAL A 449 -4.272 2.511 -9.215 1.00 0.10 C ATOM 1694 O VAL A 449 -5.327 2.682 -8.611 1.00 0.11 O ATOM 1695 CB VAL A 449 -4.057 0.246 -10.245 1.00 0.11 C ATOM 1696 CG1 VAL A 449 -5.167 -0.240 -9.330 1.00 0.17 C ATOM 1697 CG2 VAL A 449 -4.037 -0.547 -11.542 1.00 0.10 C ATOM 0 H VAL A 449 -2.325 1.635 -11.398 1.00 0.08 H new ATOM 0 HA VAL A 449 -5.167 1.899 -11.059 1.00 0.09 H new ATOM 0 HB VAL A 449 -3.103 0.091 -9.740 1.00 0.11 H new ATOM 0 HG11 VAL A 449 -5.036 -1.304 -9.133 1.00 0.17 H new ATOM 0 HG12 VAL A 449 -5.131 0.311 -8.390 1.00 0.17 H new ATOM 0 HG13 VAL A 449 -6.132 -0.076 -9.810 1.00 0.17 H new ATOM 0 HG21 VAL A 449 -3.916 -1.607 -11.319 1.00 0.10 H new ATOM 0 HG22 VAL A 449 -4.974 -0.394 -12.077 1.00 0.10 H new ATOM 0 HG23 VAL A 449 -3.206 -0.210 -12.162 1.00 0.10 H new ATOM 1707 N MET A 450 -3.128 2.996 -8.778 1.00 0.10 N ATOM 1708 CA MET A 450 -3.033 3.773 -7.574 1.00 0.11 C ATOM 1709 C MET A 450 -3.726 5.112 -7.761 1.00 0.10 C ATOM 1710 O MET A 450 -4.063 5.798 -6.817 1.00 0.14 O ATOM 1711 CB MET A 450 -1.564 3.948 -7.276 1.00 0.13 C ATOM 1712 CG MET A 450 -1.317 4.637 -5.987 1.00 0.13 C ATOM 1713 SD MET A 450 -2.338 4.002 -4.667 1.00 0.46 S ATOM 1714 CE MET A 450 -2.415 5.480 -3.685 1.00 0.10 C ATOM 0 H MET A 450 -2.237 2.858 -9.255 1.00 0.10 H new ATOM 0 HA MET A 450 -3.526 3.275 -6.739 1.00 0.11 H new ATOM 0 HB2 MET A 450 -1.083 2.970 -7.258 1.00 0.13 H new ATOM 0 HB3 MET A 450 -1.100 4.517 -8.082 1.00 0.13 H new ATOM 0 HG2 MET A 450 -0.267 4.527 -5.715 1.00 0.13 H new ATOM 0 HG3 MET A 450 -1.505 5.704 -6.107 1.00 0.13 H new ATOM 0 HE1 MET A 450 -3.406 5.571 -3.241 1.00 0.10 H new ATOM 0 HE2 MET A 450 -1.666 5.431 -2.894 1.00 0.10 H new ATOM 0 HE3 MET A 450 -2.220 6.347 -4.316 1.00 0.10 H new ATOM 1724 N LYS A 451 -3.910 5.460 -9.020 1.00 0.11 N ATOM 1725 CA LYS A 451 -4.604 6.657 -9.439 1.00 0.11 C ATOM 1726 C LYS A 451 -6.092 6.462 -9.379 1.00 0.10 C ATOM 1727 O LYS A 451 -6.874 7.405 -9.300 1.00 0.14 O ATOM 1728 CB LYS A 451 -4.186 6.886 -10.861 1.00 0.14 C ATOM 1729 CG LYS A 451 -4.410 8.277 -11.337 1.00 0.22 C ATOM 1730 CD LYS A 451 -3.377 8.695 -12.342 1.00 0.68 C ATOM 1731 CE LYS A 451 -3.016 7.543 -13.219 1.00 0.63 C ATOM 1732 NZ LYS A 451 -2.688 7.957 -14.608 1.00 0.81 N1+ ATOM 0 H LYS A 451 -3.570 4.899 -9.801 1.00 0.11 H new ATOM 0 HA LYS A 451 -4.361 7.500 -8.792 1.00 0.11 H new ATOM 0 HB2 LYS A 451 -3.128 6.643 -10.962 1.00 0.14 H new ATOM 0 HB3 LYS A 451 -4.734 6.199 -11.506 1.00 0.14 H new ATOM 0 HG2 LYS A 451 -5.402 8.354 -11.782 1.00 0.22 H new ATOM 0 HG3 LYS A 451 -4.388 8.960 -10.488 1.00 0.22 H new ATOM 0 HD2 LYS A 451 -3.760 9.517 -12.948 1.00 0.68 H new ATOM 0 HD3 LYS A 451 -2.489 9.064 -11.829 1.00 0.68 H new ATOM 0 HE2 LYS A 451 -2.162 7.019 -12.790 1.00 0.63 H new ATOM 0 HE3 LYS A 451 -3.845 6.836 -13.242 1.00 0.63 H new ATOM 0 HZ1 LYS A 451 -2.445 7.118 -15.172 1.00 0.81 H new ATOM 0 HZ2 LYS A 451 -3.510 8.433 -15.032 1.00 0.81 H new ATOM 0 HZ3 LYS A 451 -1.879 8.610 -14.594 1.00 0.81 H new ATOM 1746 N GLU A 452 -6.446 5.205 -9.466 1.00 0.09 N ATOM 1747 CA GLU A 452 -7.802 4.761 -9.392 1.00 0.08 C ATOM 1748 C GLU A 452 -8.172 4.735 -7.966 1.00 0.07 C ATOM 1749 O GLU A 452 -9.224 5.190 -7.552 1.00 0.08 O ATOM 1750 CB GLU A 452 -7.876 3.360 -9.949 1.00 0.08 C ATOM 1751 CG GLU A 452 -7.245 3.223 -11.300 1.00 0.09 C ATOM 1752 CD GLU A 452 -8.144 3.657 -12.435 1.00 0.13 C ATOM 1753 OE1 GLU A 452 -8.694 4.777 -12.365 1.00 0.31 O1- ATOM 1754 OE2 GLU A 452 -8.322 2.881 -13.395 1.00 0.38 O ATOM 0 H GLU A 452 -5.776 4.447 -9.594 1.00 0.09 H new ATOM 0 HA GLU A 452 -8.469 5.414 -9.954 1.00 0.08 H new ATOM 0 HB2 GLU A 452 -7.386 2.675 -9.256 1.00 0.08 H new ATOM 0 HB3 GLU A 452 -8.921 3.057 -10.012 1.00 0.08 H new ATOM 0 HG2 GLU A 452 -6.330 3.815 -11.326 1.00 0.09 H new ATOM 0 HG3 GLU A 452 -6.957 2.183 -11.453 1.00 0.09 H new ATOM 1761 N LEU A 453 -7.262 4.154 -7.240 1.00 0.06 N ATOM 1762 CA LEU A 453 -7.321 4.074 -5.842 1.00 0.05 C ATOM 1763 C LEU A 453 -7.233 5.417 -5.185 1.00 0.05 C ATOM 1764 O LEU A 453 -8.167 5.845 -4.572 1.00 0.05 O ATOM 1765 CB LEU A 453 -6.168 3.292 -5.340 1.00 0.05 C ATOM 1766 CG LEU A 453 -6.296 2.895 -3.912 1.00 0.05 C ATOM 1767 CD1 LEU A 453 -7.461 1.958 -3.765 1.00 0.06 C ATOM 1768 CD2 LEU A 453 -5.015 2.275 -3.434 1.00 0.06 C ATOM 0 H LEU A 453 -6.434 3.711 -7.638 1.00 0.06 H new ATOM 0 HA LEU A 453 -8.278 3.611 -5.603 1.00 0.05 H new ATOM 0 HB2 LEU A 453 -6.055 2.395 -5.949 1.00 0.05 H new ATOM 0 HB3 LEU A 453 -5.259 3.880 -5.465 1.00 0.05 H new ATOM 0 HG LEU A 453 -6.483 3.772 -3.293 1.00 0.05 H new ATOM 0 HD11 LEU A 453 -7.561 1.663 -2.721 1.00 0.06 H new ATOM 0 HD12 LEU A 453 -8.373 2.458 -4.090 1.00 0.06 H new ATOM 0 HD13 LEU A 453 -7.295 1.072 -4.378 1.00 0.06 H new ATOM 0 HD21 LEU A 453 -5.118 1.988 -2.388 1.00 0.06 H new ATOM 0 HD22 LEU A 453 -4.793 1.392 -4.033 1.00 0.06 H new ATOM 0 HD23 LEU A 453 -4.203 2.995 -3.534 1.00 0.06 H new ATOM 1780 N PHE A 454 -6.085 6.071 -5.274 1.00 0.07 N ATOM 1781 CA PHE A 454 -5.950 7.398 -4.694 1.00 0.08 C ATOM 1782 C PHE A 454 -7.111 8.252 -5.185 1.00 0.09 C ATOM 1783 O PHE A 454 -7.548 9.215 -4.557 1.00 0.10 O ATOM 1784 CB PHE A 454 -4.635 8.079 -5.086 1.00 0.13 C ATOM 1785 CG PHE A 454 -4.300 9.250 -4.198 1.00 0.17 C ATOM 1786 CD1 PHE A 454 -3.588 9.077 -3.021 1.00 0.19 C ATOM 1787 CD2 PHE A 454 -4.680 10.531 -4.558 1.00 0.25 C ATOM 1788 CE1 PHE A 454 -3.268 10.161 -2.226 1.00 0.25 C ATOM 1789 CE2 PHE A 454 -4.360 11.617 -3.771 1.00 0.31 C ATOM 1790 CZ PHE A 454 -3.715 11.387 -2.516 1.00 0.29 C ATOM 0 H PHE A 454 -5.248 5.713 -5.733 1.00 0.07 H new ATOM 0 HA PHE A 454 -5.953 7.295 -3.609 1.00 0.08 H new ATOM 0 HB2 PHE A 454 -3.826 7.350 -5.041 1.00 0.13 H new ATOM 0 HB3 PHE A 454 -4.700 8.419 -6.120 1.00 0.13 H new ATOM 0 HD1 PHE A 454 -3.281 8.086 -2.723 1.00 0.19 H new ATOM 0 HD2 PHE A 454 -5.237 10.683 -5.471 1.00 0.25 H new ATOM 0 HE1 PHE A 454 -2.646 10.015 -1.355 1.00 0.25 H new ATOM 0 HE2 PHE A 454 -4.592 12.621 -4.096 1.00 0.31 H new ATOM 0 HZ PHE A 454 -3.590 12.195 -1.810 1.00 0.29 H new ATOM 1800 N GLY A 455 -7.584 7.836 -6.362 1.00 0.09 N ATOM 1801 CA GLY A 455 -8.677 8.474 -7.026 1.00 0.11 C ATOM 1802 C GLY A 455 -10.001 8.233 -6.310 1.00 0.10 C ATOM 1803 O GLY A 455 -10.906 9.062 -6.381 1.00 0.13 O ATOM 0 H GLY A 455 -7.202 7.038 -6.869 1.00 0.09 H new ATOM 0 HA2 GLY A 455 -8.488 9.546 -7.087 1.00 0.11 H new ATOM 0 HA3 GLY A 455 -8.746 8.104 -8.049 1.00 0.11 H new ATOM 1807 N MET A 456 -10.127 7.071 -5.650 1.00 0.08 N ATOM 1808 CA MET A 456 -11.252 6.809 -4.758 1.00 0.09 C ATOM 1809 C MET A 456 -10.941 7.284 -3.345 1.00 0.10 C ATOM 1810 O MET A 456 -11.710 8.016 -2.725 1.00 0.13 O ATOM 1811 CB MET A 456 -11.570 5.306 -4.714 1.00 0.08 C ATOM 1812 CG MET A 456 -10.420 4.402 -5.019 1.00 0.06 C ATOM 1813 SD MET A 456 -10.909 2.746 -5.490 1.00 0.06 S ATOM 1814 CE MET A 456 -11.576 3.066 -7.096 1.00 0.07 C ATOM 0 H MET A 456 -9.460 6.302 -5.722 1.00 0.08 H new ATOM 0 HA MET A 456 -12.113 7.354 -5.145 1.00 0.09 H new ATOM 0 HB2 MET A 456 -11.951 5.061 -3.723 1.00 0.08 H new ATOM 0 HB3 MET A 456 -12.371 5.100 -5.424 1.00 0.08 H new ATOM 0 HG2 MET A 456 -9.830 4.839 -5.824 1.00 0.06 H new ATOM 0 HG3 MET A 456 -9.773 4.345 -4.144 1.00 0.06 H new ATOM 0 HE1 MET A 456 -11.864 2.125 -7.564 1.00 0.07 H new ATOM 0 HE2 MET A 456 -12.451 3.709 -7.005 1.00 0.07 H new ATOM 0 HE3 MET A 456 -10.824 3.561 -7.710 1.00 0.07 H new ATOM 1824 N VAL A 457 -9.782 6.875 -2.876 1.00 0.08 N ATOM 1825 CA VAL A 457 -9.409 6.988 -1.485 1.00 0.10 C ATOM 1826 C VAL A 457 -8.391 8.045 -1.203 1.00 0.17 C ATOM 1827 O VAL A 457 -7.355 8.177 -1.845 1.00 0.23 O ATOM 1828 CB VAL A 457 -8.918 5.647 -0.945 1.00 0.06 C ATOM 1829 CG1 VAL A 457 -8.047 4.957 -1.966 1.00 0.06 C ATOM 1830 CG2 VAL A 457 -8.184 5.817 0.377 1.00 0.10 C ATOM 0 H VAL A 457 -9.063 6.449 -3.460 1.00 0.08 H new ATOM 0 HA VAL A 457 -10.320 7.293 -0.970 1.00 0.10 H new ATOM 0 HB VAL A 457 -9.788 5.019 -0.755 1.00 0.06 H new ATOM 0 HG11 VAL A 457 -7.705 4.002 -1.567 1.00 0.06 H new ATOM 0 HG12 VAL A 457 -8.621 4.785 -2.877 1.00 0.06 H new ATOM 0 HG13 VAL A 457 -7.186 5.585 -2.193 1.00 0.06 H new ATOM 0 HG21 VAL A 457 -7.848 4.844 0.734 1.00 0.10 H new ATOM 0 HG22 VAL A 457 -7.322 6.469 0.233 1.00 0.10 H new ATOM 0 HG23 VAL A 457 -8.856 6.261 1.112 1.00 0.10 H new ATOM 1840 N GLU A 458 -8.751 8.767 -0.190 1.00 0.18 N ATOM 1841 CA GLU A 458 -7.992 9.794 0.394 1.00 0.26 C ATOM 1842 C GLU A 458 -8.171 9.666 1.867 1.00 0.15 C ATOM 1843 O GLU A 458 -8.806 8.708 2.320 1.00 0.08 O ATOM 1844 CB GLU A 458 -8.470 11.122 -0.094 1.00 0.42 C ATOM 1845 CG GLU A 458 -9.952 11.260 0.012 1.00 0.46 C ATOM 1846 CD GLU A 458 -10.439 12.635 -0.375 1.00 0.66 C ATOM 1847 OE1 GLU A 458 -10.128 13.602 0.347 1.00 0.83 O ATOM 1848 OE2 GLU A 458 -11.165 12.753 -1.382 1.00 0.82 O1- ATOM 0 H GLU A 458 -9.650 8.634 0.274 1.00 0.18 H new ATOM 0 HA GLU A 458 -6.938 9.717 0.129 1.00 0.26 H new ATOM 0 HB2 GLU A 458 -7.991 11.913 0.482 1.00 0.42 H new ATOM 0 HB3 GLU A 458 -8.167 11.256 -1.133 1.00 0.42 H new ATOM 0 HG2 GLU A 458 -10.428 10.517 -0.628 1.00 0.46 H new ATOM 0 HG3 GLU A 458 -10.260 11.045 1.035 1.00 0.46 H new ATOM 1855 N LYS A 459 -7.594 10.580 2.618 1.00 0.19 N ATOM 1856 CA LYS A 459 -7.725 10.542 4.031 1.00 0.13 C ATOM 1857 C LYS A 459 -9.117 10.290 4.499 1.00 0.14 C ATOM 1858 O LYS A 459 -10.112 10.626 3.855 1.00 0.21 O ATOM 1859 CB LYS A 459 -7.220 11.787 4.669 1.00 0.14 C ATOM 1860 CG LYS A 459 -5.756 11.825 4.737 1.00 0.15 C ATOM 1861 CD LYS A 459 -5.361 13.025 5.487 1.00 0.15 C ATOM 1862 CE LYS A 459 -5.328 14.210 4.592 1.00 0.20 C ATOM 1863 NZ LYS A 459 -4.720 15.406 5.240 1.00 0.24 N1+ ATOM 0 H LYS A 459 -7.033 11.352 2.259 1.00 0.19 H new ATOM 0 HA LYS A 459 -7.112 9.695 4.339 1.00 0.13 H new ATOM 0 HB2 LYS A 459 -7.578 12.650 4.108 1.00 0.14 H new ATOM 0 HB3 LYS A 459 -7.630 11.869 5.676 1.00 0.14 H new ATOM 0 HG2 LYS A 459 -5.375 10.929 5.226 1.00 0.15 H new ATOM 0 HG3 LYS A 459 -5.330 11.846 3.734 1.00 0.15 H new ATOM 0 HD2 LYS A 459 -6.062 13.198 6.304 1.00 0.15 H new ATOM 0 HD3 LYS A 459 -4.379 12.874 5.936 1.00 0.15 H new ATOM 0 HE2 LYS A 459 -4.765 13.964 3.692 1.00 0.20 H new ATOM 0 HE3 LYS A 459 -6.343 14.450 4.277 1.00 0.20 H new ATOM 0 HZ1 LYS A 459 -4.723 16.202 4.571 1.00 0.24 H new ATOM 0 HZ2 LYS A 459 -5.271 15.661 6.084 1.00 0.24 H new ATOM 0 HZ3 LYS A 459 -3.741 15.191 5.518 1.00 0.24 H new ATOM 1877 N GLY A 460 -9.145 9.742 5.670 1.00 0.13 N ATOM 1878 CA GLY A 460 -10.386 9.363 6.269 1.00 0.19 C ATOM 1879 C GLY A 460 -10.698 7.897 6.075 1.00 0.19 C ATOM 1880 O GLY A 460 -11.222 7.246 6.977 1.00 0.37 O ATOM 0 H GLY A 460 -8.319 9.545 6.235 1.00 0.13 H new ATOM 0 HA2 GLY A 460 -10.354 9.586 7.335 1.00 0.19 H new ATOM 0 HA3 GLY A 460 -11.190 9.962 5.842 1.00 0.19 H new ATOM 1884 N THR A 461 -10.345 7.377 4.908 1.00 0.12 N ATOM 1885 CA THR A 461 -10.618 6.009 4.554 1.00 0.10 C ATOM 1886 C THR A 461 -9.595 5.100 5.204 1.00 0.09 C ATOM 1887 O THR A 461 -8.429 5.461 5.350 1.00 0.12 O ATOM 1888 CB THR A 461 -10.577 5.864 3.017 1.00 0.11 C ATOM 1889 OG1 THR A 461 -11.772 6.412 2.444 1.00 0.15 O ATOM 1890 CG2 THR A 461 -10.389 4.413 2.556 1.00 0.08 C ATOM 0 H THR A 461 -9.859 7.903 4.182 1.00 0.12 H new ATOM 0 HA THR A 461 -11.608 5.724 4.910 1.00 0.10 H new ATOM 0 HB THR A 461 -9.706 6.419 2.668 1.00 0.11 H new ATOM 0 HG1 THR A 461 -11.740 6.319 1.469 1.00 0.15 H new ATOM 0 HG21 THR A 461 -10.368 4.377 1.467 1.00 0.08 H new ATOM 0 HG22 THR A 461 -9.450 4.025 2.950 1.00 0.08 H new ATOM 0 HG23 THR A 461 -11.215 3.805 2.923 1.00 0.08 H new ATOM 1898 N PRO A 462 -10.016 3.928 5.648 1.00 0.08 N ATOM 1899 CA PRO A 462 -9.115 2.946 6.157 1.00 0.10 C ATOM 1900 C PRO A 462 -8.372 2.258 5.060 1.00 0.09 C ATOM 1901 O PRO A 462 -8.691 2.383 3.884 1.00 0.10 O ATOM 1902 CB PRO A 462 -9.993 1.920 6.856 1.00 0.12 C ATOM 1903 CG PRO A 462 -11.361 2.429 6.760 1.00 0.09 C ATOM 1904 CD PRO A 462 -11.384 3.456 5.687 1.00 0.07 C ATOM 0 HA PRO A 462 -8.378 3.410 6.812 1.00 0.10 H new ATOM 0 HB2 PRO A 462 -9.906 0.943 6.381 1.00 0.12 H new ATOM 0 HB3 PRO A 462 -9.695 1.796 7.897 1.00 0.12 H new ATOM 0 HG2 PRO A 462 -12.055 1.620 6.531 1.00 0.09 H new ATOM 0 HG3 PRO A 462 -11.677 2.861 7.710 1.00 0.09 H new ATOM 0 HD2 PRO A 462 -11.691 3.032 4.731 1.00 0.07 H new ATOM 0 HD3 PRO A 462 -12.081 4.262 5.916 1.00 0.07 H new ATOM 1912 N VAL A 463 -7.404 1.512 5.457 1.00 0.09 N ATOM 1913 CA VAL A 463 -6.790 0.560 4.580 1.00 0.14 C ATOM 1914 C VAL A 463 -6.609 -0.719 5.348 1.00 0.12 C ATOM 1915 O VAL A 463 -6.646 -0.737 6.577 1.00 0.22 O ATOM 1916 CB VAL A 463 -5.446 1.016 3.960 1.00 0.27 C ATOM 1917 CG1 VAL A 463 -5.421 2.509 3.725 1.00 1.07 C ATOM 1918 CG2 VAL A 463 -4.263 0.586 4.767 1.00 1.09 C ATOM 0 H VAL A 463 -7.010 1.538 6.397 1.00 0.09 H new ATOM 0 HA VAL A 463 -7.453 0.432 3.724 1.00 0.14 H new ATOM 0 HB VAL A 463 -5.372 0.517 2.994 1.00 0.27 H new ATOM 0 HG11 VAL A 463 -4.463 2.793 3.289 1.00 1.07 H new ATOM 0 HG12 VAL A 463 -6.225 2.783 3.043 1.00 1.07 H new ATOM 0 HG13 VAL A 463 -5.556 3.029 4.673 1.00 1.07 H new ATOM 0 HG21 VAL A 463 -3.349 0.933 4.286 1.00 1.09 H new ATOM 0 HG22 VAL A 463 -4.331 1.013 5.768 1.00 1.09 H new ATOM 0 HG23 VAL A 463 -4.246 -0.502 4.837 1.00 1.09 H new ATOM 1928 N LEU A 464 -6.501 -1.781 4.631 1.00 0.07 N ATOM 1929 CA LEU A 464 -6.319 -3.066 5.220 1.00 0.06 C ATOM 1930 C LEU A 464 -5.154 -3.746 4.604 1.00 0.06 C ATOM 1931 O LEU A 464 -4.857 -3.547 3.440 1.00 0.06 O ATOM 1932 CB LEU A 464 -7.536 -3.882 4.931 1.00 0.06 C ATOM 1933 CG LEU A 464 -8.130 -4.616 6.096 1.00 0.08 C ATOM 1934 CD1 LEU A 464 -8.492 -3.631 7.192 1.00 0.12 C ATOM 1935 CD2 LEU A 464 -9.332 -5.375 5.608 1.00 0.13 C ATOM 0 H LEU A 464 -6.536 -1.786 3.612 1.00 0.07 H new ATOM 0 HA LEU A 464 -6.154 -2.958 6.292 1.00 0.06 H new ATOM 0 HB2 LEU A 464 -8.299 -3.224 4.515 1.00 0.06 H new ATOM 0 HB3 LEU A 464 -7.286 -4.609 4.159 1.00 0.06 H new ATOM 0 HG LEU A 464 -7.415 -5.322 6.518 1.00 0.08 H new ATOM 0 HD11 LEU A 464 -8.923 -4.169 8.036 1.00 0.12 H new ATOM 0 HD12 LEU A 464 -7.596 -3.103 7.517 1.00 0.12 H new ATOM 0 HD13 LEU A 464 -9.218 -2.913 6.810 1.00 0.12 H new ATOM 0 HD21 LEU A 464 -9.782 -5.918 6.439 1.00 0.13 H new ATOM 0 HD22 LEU A 464 -10.060 -4.677 5.194 1.00 0.13 H new ATOM 0 HD23 LEU A 464 -9.027 -6.081 4.836 1.00 0.13 H new ATOM 1947 N VAL A 465 -4.473 -4.492 5.414 1.00 0.06 N ATOM 1948 CA VAL A 465 -3.514 -5.442 4.959 1.00 0.06 C ATOM 1949 C VAL A 465 -3.605 -6.646 5.879 1.00 0.08 C ATOM 1950 O VAL A 465 -3.937 -6.490 7.056 1.00 0.09 O ATOM 1951 CB VAL A 465 -2.074 -4.880 4.897 1.00 0.06 C ATOM 1952 CG1 VAL A 465 -2.028 -3.399 4.519 1.00 0.07 C ATOM 1953 CG2 VAL A 465 -1.325 -5.129 6.150 1.00 0.07 C ATOM 0 H VAL A 465 -4.571 -4.456 6.429 1.00 0.06 H new ATOM 0 HA VAL A 465 -3.744 -5.718 3.930 1.00 0.06 H new ATOM 0 HB VAL A 465 -1.579 -5.428 4.096 1.00 0.06 H new ATOM 0 HG11 VAL A 465 -0.992 -3.062 4.492 1.00 0.07 H new ATOM 0 HG12 VAL A 465 -2.481 -3.260 3.537 1.00 0.07 H new ATOM 0 HG13 VAL A 465 -2.579 -2.818 5.258 1.00 0.07 H new ATOM 0 HG21 VAL A 465 -0.320 -4.717 6.061 1.00 0.07 H new ATOM 0 HG22 VAL A 465 -1.840 -4.651 6.983 1.00 0.07 H new ATOM 0 HG23 VAL A 465 -1.263 -6.202 6.330 1.00 0.07 H new ATOM 1963 N PHE A 466 -3.365 -7.831 5.345 1.00 0.11 N ATOM 1964 CA PHE A 466 -3.487 -9.058 6.118 1.00 0.14 C ATOM 1965 C PHE A 466 -2.795 -10.220 5.413 1.00 0.19 C ATOM 1966 O PHE A 466 -2.845 -10.273 4.166 1.00 1.16 O ATOM 1967 CB PHE A 466 -4.961 -9.366 6.384 1.00 0.13 C ATOM 1968 CG PHE A 466 -5.831 -9.337 5.160 1.00 0.12 C ATOM 1969 CD1 PHE A 466 -5.837 -10.387 4.253 1.00 0.14 C ATOM 1970 CD2 PHE A 466 -6.647 -8.250 4.918 1.00 0.14 C ATOM 1971 CE1 PHE A 466 -6.639 -10.344 3.129 1.00 0.18 C ATOM 1972 CE2 PHE A 466 -7.450 -8.210 3.803 1.00 0.17 C ATOM 1973 CZ PHE A 466 -7.449 -9.251 2.908 1.00 0.19 C ATOM 1974 OXT PHE A 466 -2.151 -11.037 6.103 1.00 1.08 O ATOM 0 H PHE A 466 -3.083 -7.971 4.375 1.00 0.11 H new ATOM 0 HA PHE A 466 -2.988 -8.917 7.077 1.00 0.14 H new ATOM 0 HB2 PHE A 466 -5.036 -10.351 6.845 1.00 0.13 H new ATOM 0 HB3 PHE A 466 -5.346 -8.645 7.106 1.00 0.13 H new ATOM 0 HD1 PHE A 466 -5.208 -11.247 4.428 1.00 0.14 H new ATOM 0 HD2 PHE A 466 -6.655 -7.422 5.612 1.00 0.14 H new ATOM 0 HE1 PHE A 466 -6.631 -11.164 2.426 1.00 0.18 H new ATOM 0 HE2 PHE A 466 -8.086 -7.354 3.630 1.00 0.17 H new ATOM 0 HZ PHE A 466 -8.081 -9.214 2.033 1.00 0.19 H new