USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 874 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 423 SER OG : rot -177:sc= -0.662 USER MOD Set 1.2: A 444 ASN : amide:sc= -2.51! C(o=-3.2!,f=-11!) USER MOD Set 2.1: A 421 HIS : no HD1:sc= -4.51! C(o=-5.1!,f=-8.1!) USER MOD Set 2.2: A 442 CYS SG : rot 180:sc= -0.589 USER MOD Set 3.1: A 411 MET CE :methyl -173:sc= -6.94! (180deg=-7.27!) USER MOD Set 3.2: A 450 MET CE :methyl 152:sc= -3.86! (180deg=-6.05!) USER MOD Set 4.1: A 370 SER OG : rot 50:sc= 0.417 USER MOD Set 4.2: A 377 THR OG1 : rot -127:sc= 1.13 USER MOD Set 5.1: A 374 THR OG1 : rot 180:sc= 0.0229 USER MOD Set 5.2: A 375 THR OG1 : rot 68:sc= -0.0207 USER MOD Set 5.3: A 440 HIS : no HD1:sc= -1.02 K(o=-1,f=-2!) USER MOD Single : A 343 THR OG1 : rot 22:sc= 0.185 USER MOD Single : A 344 TYR OH : rot -66:sc= 0.0141 USER MOD Single : A 351 ASN : amide:sc= 0.65 K(o=0.65,f=0) USER MOD Single : A 352 GLN :FLIP amide:sc= -5.24! C(o=-6.9!,f=-5.2!) USER MOD Single : A 353 HIS : no HE2:sc= -3.47! C(o=-3.5!,f=-3.1!) USER MOD Single : A 354 MET CE :methyl -177:sc= -6.82! (180deg=-7.06!) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 357 TYR OH : rot 45:sc= 0.189 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 62:sc= -1.95! USER MOD Single : A 372 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 386 ASN :FLIP amide:sc= -0.605 F(o=-2.4,f=-0.6) USER MOD Single : A 387 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 392 THR OG1 : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 405 SER OG : rot 49:sc= -4.28! USER MOD Single : A 408 ASN :FLIP amide:sc= -0.194 F(o=-1.3!,f=-0.19) USER MOD Single : A 409 TYR OH : rot 150:sc= 0 USER MOD Single : A 416 THR OG1 : rot -95:sc= 1.27 USER MOD Single : A 426 GLN : amide:sc= -5.63! C(o=-5.6!,f=-12!) USER MOD Single : A 429 TYR OH : rot 180:sc= -0.134 USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot -37:sc= 0.719 USER MOD Single : A 439 SER OG : rot 37:sc= -0.193 USER MOD Single : A 445 THR OG1 : rot -138:sc= 1.04 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 179:sc= -4.52! (180deg=-4.66!) 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 -16.169 0.485 4.465 1.00 0.23 N ATOM 73 CA THR A 343 -15.526 1.004 3.305 1.00 0.19 C ATOM 74 C THR A 343 -14.107 1.381 3.686 1.00 0.13 C ATOM 75 O THR A 343 -13.886 2.172 4.602 1.00 0.16 O ATOM 76 CB THR A 343 -16.277 2.241 2.807 1.00 0.24 C ATOM 77 OG1 THR A 343 -17.674 1.939 2.657 1.00 0.45 O ATOM 78 CG2 THR A 343 -15.723 2.709 1.491 1.00 0.20 C ATOM 0 HA THR A 343 -15.519 0.259 2.509 1.00 0.19 H new ATOM 0 HB THR A 343 -16.150 3.035 3.543 1.00 0.24 H new ATOM 0 HG1 THR A 343 -17.903 1.164 3.212 1.00 0.45 H new ATOM 0 HG21 THR A 343 -16.273 3.589 1.157 1.00 0.20 H new ATOM 0 HG22 THR A 343 -14.669 2.962 1.609 1.00 0.20 H new ATOM 0 HG23 THR A 343 -15.825 1.915 0.751 1.00 0.20 H new ATOM 86 N TYR A 344 -13.165 0.802 2.975 1.00 0.10 N ATOM 87 CA TYR A 344 -11.759 0.953 3.255 1.00 0.07 C ATOM 88 C TYR A 344 -10.932 0.582 2.052 1.00 0.06 C ATOM 89 O TYR A 344 -11.443 0.391 0.960 1.00 0.08 O ATOM 90 CB TYR A 344 -11.327 0.047 4.401 1.00 0.08 C ATOM 91 CG TYR A 344 -11.886 -1.353 4.352 1.00 0.12 C ATOM 92 CD1 TYR A 344 -11.244 -2.334 3.628 1.00 0.14 C ATOM 93 CD2 TYR A 344 -13.047 -1.693 5.029 1.00 0.19 C ATOM 94 CE1 TYR A 344 -11.733 -3.620 3.577 1.00 0.20 C ATOM 95 CE2 TYR A 344 -13.545 -2.978 4.986 1.00 0.25 C ATOM 96 CZ TYR A 344 -12.943 -3.915 4.267 1.00 0.25 C ATOM 97 OH TYR A 344 -13.363 -5.224 4.227 1.00 0.32 O ATOM 0 H TYR A 344 -13.361 0.203 2.173 1.00 0.10 H new ATOM 0 HA TYR A 344 -11.601 1.998 3.521 1.00 0.07 H new ATOM 0 HB2 TYR A 344 -10.239 -0.012 4.407 1.00 0.08 H new ATOM 0 HB3 TYR A 344 -11.626 0.509 5.342 1.00 0.08 H new ATOM 0 HD1 TYR A 344 -10.340 -2.089 3.090 1.00 0.14 H new ATOM 0 HD2 TYR A 344 -13.570 -0.939 5.599 1.00 0.19 H new ATOM 0 HE1 TYR A 344 -11.210 -4.388 3.026 1.00 0.20 H new ATOM 0 HE2 TYR A 344 -14.436 -3.224 5.545 1.00 0.25 H new ATOM 0 HH TYR A 344 -13.598 -5.464 3.306 1.00 0.32 H new ATOM 107 N ILE A 345 -9.635 0.504 2.265 1.00 0.05 N ATOM 108 CA ILE A 345 -8.754 -0.091 1.296 1.00 0.05 C ATOM 109 C ILE A 345 -8.359 -1.466 1.800 1.00 0.05 C ATOM 110 O ILE A 345 -8.507 -1.727 2.980 1.00 0.08 O ATOM 111 CB ILE A 345 -7.486 0.742 1.058 1.00 0.06 C ATOM 112 CG1 ILE A 345 -7.813 2.212 0.986 1.00 0.07 C ATOM 113 CG2 ILE A 345 -6.851 0.305 -0.239 1.00 0.06 C ATOM 114 CD1 ILE A 345 -8.804 2.489 -0.084 1.00 0.07 C ATOM 0 H ILE A 345 -9.171 0.848 3.106 1.00 0.05 H new ATOM 0 HA ILE A 345 -9.283 -0.146 0.345 1.00 0.05 H new ATOM 0 HB ILE A 345 -6.799 0.584 1.889 1.00 0.06 H new ATOM 0 HG12 ILE A 345 -8.207 2.547 1.946 1.00 0.07 H new ATOM 0 HG13 ILE A 345 -6.903 2.781 0.798 1.00 0.07 H new ATOM 0 HG21 ILE A 345 -5.949 0.890 -0.418 1.00 0.06 H new ATOM 0 HG22 ILE A 345 -6.592 -0.752 -0.179 1.00 0.06 H new ATOM 0 HG23 ILE A 345 -7.553 0.460 -1.058 1.00 0.06 H new ATOM 0 HD11 ILE A 345 -9.020 3.557 -0.112 1.00 0.07 H new ATOM 0 HD12 ILE A 345 -8.398 2.176 -1.046 1.00 0.07 H new ATOM 0 HD13 ILE A 345 -9.722 1.938 0.119 1.00 0.07 H new ATOM 126 N GLU A 346 -7.872 -2.347 0.942 1.00 0.05 N ATOM 127 CA GLU A 346 -7.466 -3.669 1.402 1.00 0.05 C ATOM 128 C GLU A 346 -6.210 -4.117 0.724 1.00 0.05 C ATOM 129 O GLU A 346 -5.850 -3.627 -0.324 1.00 0.06 O ATOM 130 CB GLU A 346 -8.563 -4.693 1.155 1.00 0.06 C ATOM 131 CG GLU A 346 -8.778 -5.573 2.334 1.00 0.07 C ATOM 132 CD GLU A 346 -9.684 -6.769 2.077 1.00 0.09 C ATOM 133 OE1 GLU A 346 -9.418 -7.528 1.119 1.00 0.12 O ATOM 134 OE2 GLU A 346 -10.671 -6.954 2.821 1.00 0.17 O1- ATOM 0 H GLU A 346 -7.749 -2.179 -0.057 1.00 0.05 H new ATOM 0 HA GLU A 346 -7.282 -3.593 2.474 1.00 0.05 H new ATOM 0 HB2 GLU A 346 -9.492 -4.178 0.913 1.00 0.06 H new ATOM 0 HB3 GLU A 346 -8.302 -5.303 0.290 1.00 0.06 H new ATOM 0 HG2 GLU A 346 -7.810 -5.935 2.681 1.00 0.07 H new ATOM 0 HG3 GLU A 346 -9.204 -4.978 3.142 1.00 0.07 H new ATOM 141 N VAL A 347 -5.523 -5.004 1.392 1.00 0.05 N ATOM 142 CA VAL A 347 -4.279 -5.546 0.931 1.00 0.05 C ATOM 143 C VAL A 347 -4.106 -6.936 1.461 1.00 0.07 C ATOM 144 O VAL A 347 -4.289 -7.195 2.649 1.00 0.08 O ATOM 145 CB VAL A 347 -3.095 -4.731 1.444 1.00 0.06 C ATOM 146 CG1 VAL A 347 -1.797 -5.441 1.118 1.00 0.06 C ATOM 147 CG2 VAL A 347 -3.094 -3.339 0.874 1.00 0.06 C ATOM 0 H VAL A 347 -5.822 -5.377 2.293 1.00 0.05 H new ATOM 0 HA VAL A 347 -4.304 -5.529 -0.159 1.00 0.05 H new ATOM 0 HB VAL A 347 -3.190 -4.641 2.526 1.00 0.06 H new ATOM 0 HG11 VAL A 347 -0.957 -4.852 1.488 1.00 0.06 H new ATOM 0 HG12 VAL A 347 -1.790 -6.422 1.593 1.00 0.06 H new ATOM 0 HG13 VAL A 347 -1.709 -5.560 0.038 1.00 0.06 H new ATOM 0 HG21 VAL A 347 -2.237 -2.788 1.261 1.00 0.06 H new ATOM 0 HG22 VAL A 347 -3.031 -3.391 -0.213 1.00 0.06 H new ATOM 0 HG23 VAL A 347 -4.013 -2.828 1.160 1.00 0.06 H new ATOM 157 N ASP A 348 -3.725 -7.802 0.581 1.00 0.08 N ATOM 158 CA ASP A 348 -3.346 -9.131 0.949 1.00 0.11 C ATOM 159 C ASP A 348 -1.888 -9.285 0.629 1.00 0.15 C ATOM 160 O ASP A 348 -1.490 -9.213 -0.528 1.00 0.24 O ATOM 161 CB ASP A 348 -4.206 -10.134 0.195 1.00 0.14 C ATOM 162 CG ASP A 348 -3.914 -11.594 0.508 1.00 0.18 C ATOM 163 OD1 ASP A 348 -2.831 -11.905 1.028 1.00 0.33 O ATOM 164 OD2 ASP A 348 -4.781 -12.446 0.223 1.00 0.37 O1- ATOM 0 H ASP A 348 -3.667 -7.609 -0.419 1.00 0.08 H new ATOM 0 HA ASP A 348 -3.501 -9.315 2.012 1.00 0.11 H new ATOM 0 HB2 ASP A 348 -5.254 -9.932 0.419 1.00 0.14 H new ATOM 0 HB3 ASP A 348 -4.072 -9.973 -0.875 1.00 0.14 H new ATOM 169 N LEU A 349 -1.098 -9.403 1.670 1.00 0.13 N ATOM 170 CA LEU A 349 0.324 -9.607 1.535 1.00 0.14 C ATOM 171 C LEU A 349 0.530 -10.895 0.787 1.00 0.20 C ATOM 172 O LEU A 349 1.162 -10.960 -0.260 1.00 0.32 O ATOM 173 CB LEU A 349 0.961 -9.656 2.926 1.00 0.16 C ATOM 174 CG LEU A 349 0.838 -8.385 3.760 1.00 0.14 C ATOM 175 CD1 LEU A 349 0.945 -7.160 2.903 1.00 0.14 C ATOM 176 CD2 LEU A 349 -0.459 -8.354 4.506 1.00 0.12 C ATOM 0 H LEU A 349 -1.424 -9.360 2.636 1.00 0.13 H new ATOM 0 HA LEU A 349 0.795 -8.793 0.985 1.00 0.14 H new ATOM 0 HB2 LEU A 349 0.510 -10.478 3.482 1.00 0.16 H new ATOM 0 HB3 LEU A 349 2.019 -9.892 2.812 1.00 0.16 H new ATOM 0 HG LEU A 349 1.661 -8.390 4.474 1.00 0.14 H new ATOM 0 HD11 LEU A 349 0.853 -6.271 3.526 1.00 0.14 H new ATOM 0 HD12 LEU A 349 1.911 -7.152 2.399 1.00 0.14 H new ATOM 0 HD13 LEU A 349 0.148 -7.165 2.159 1.00 0.14 H new ATOM 0 HD21 LEU A 349 -0.520 -7.437 5.092 1.00 0.12 H new ATOM 0 HD22 LEU A 349 -1.287 -8.388 3.798 1.00 0.12 H new ATOM 0 HD23 LEU A 349 -0.516 -9.215 5.172 1.00 0.12 H new ATOM 188 N GLU A 350 -0.026 -11.911 1.418 1.00 0.20 N ATOM 189 CA GLU A 350 0.143 -13.305 1.072 1.00 0.24 C ATOM 190 C GLU A 350 -0.069 -13.575 -0.389 1.00 0.22 C ATOM 191 O GLU A 350 0.668 -14.349 -0.996 1.00 0.31 O ATOM 192 CB GLU A 350 -0.880 -14.083 1.829 1.00 0.31 C ATOM 193 CG GLU A 350 -0.508 -14.375 3.257 1.00 0.41 C ATOM 194 CD GLU A 350 0.338 -15.620 3.404 1.00 0.84 C ATOM 195 OE1 GLU A 350 -0.189 -16.730 3.181 1.00 1.51 O ATOM 196 OE2 GLU A 350 1.529 -15.501 3.756 1.00 0.96 O1- ATOM 0 H GLU A 350 -0.637 -11.778 2.224 1.00 0.20 H new ATOM 0 HA GLU A 350 1.166 -13.589 1.318 1.00 0.24 H new ATOM 0 HB2 GLU A 350 -1.820 -13.532 1.817 1.00 0.31 H new ATOM 0 HB3 GLU A 350 -1.057 -15.026 1.312 1.00 0.31 H new ATOM 0 HG2 GLU A 350 0.035 -13.523 3.667 1.00 0.41 H new ATOM 0 HG3 GLU A 350 -1.417 -14.488 3.848 1.00 0.41 H new ATOM 203 N ASN A 351 -1.159 -13.009 -0.887 1.00 0.18 N ATOM 204 CA ASN A 351 -1.591 -13.182 -2.257 1.00 0.19 C ATOM 205 C ASN A 351 -1.429 -11.879 -2.996 1.00 0.21 C ATOM 206 O ASN A 351 -2.065 -11.646 -4.027 1.00 0.35 O ATOM 207 CB ASN A 351 -3.056 -13.620 -2.297 1.00 0.27 C ATOM 208 CG ASN A 351 -3.272 -14.977 -1.672 1.00 0.48 C ATOM 209 OD1 ASN A 351 -3.121 -16.008 -2.325 1.00 0.91 O ATOM 210 ND2 ASN A 351 -3.656 -14.983 -0.407 1.00 0.39 N ATOM 0 H ASN A 351 -1.774 -12.408 -0.338 1.00 0.18 H new ATOM 0 HA ASN A 351 -0.983 -13.952 -2.732 1.00 0.19 H new ATOM 0 HB2 ASN A 351 -3.666 -12.882 -1.776 1.00 0.27 H new ATOM 0 HB3 ASN A 351 -3.397 -13.642 -3.332 1.00 0.27 H new ATOM 0 HD21 ASN A 351 -3.840 -15.868 0.066 1.00 0.39 H new ATOM 0 HD22 ASN A 351 -3.768 -14.103 0.096 1.00 0.39 H new ATOM 217 N GLN A 352 -0.560 -11.043 -2.411 1.00 0.12 N ATOM 218 CA GLN A 352 -0.059 -9.806 -3.022 1.00 0.11 C ATOM 219 C GLN A 352 -1.117 -9.093 -3.853 1.00 0.11 C ATOM 220 O GLN A 352 -0.989 -8.987 -5.073 1.00 0.18 O ATOM 221 CB GLN A 352 1.155 -10.073 -3.912 1.00 0.18 C ATOM 222 CG GLN A 352 2.349 -10.782 -3.250 1.00 0.30 C ATOM 223 CD GLN A 352 2.110 -12.247 -2.945 1.00 1.41 C ATOM 224 OE1 GLN A 352 1.309 -12.914 -3.762 1.00 2.22 O flip ATOM 225 NE2 GLN A 352 2.662 -12.779 -1.990 1.00 1.92 N flip ATOM 0 H GLN A 352 -0.178 -11.212 -1.480 1.00 0.12 H new ATOM 0 HA GLN A 352 0.224 -9.163 -2.189 1.00 0.11 H new ATOM 0 HB2 GLN A 352 0.830 -10.674 -4.761 1.00 0.18 H new ATOM 0 HB3 GLN A 352 1.502 -9.120 -4.310 1.00 0.18 H new ATOM 0 HG2 GLN A 352 3.217 -10.695 -3.904 1.00 0.30 H new ATOM 0 HG3 GLN A 352 2.596 -10.265 -2.323 1.00 0.30 H new ATOM 0 HE21 GLN A 352 3.272 -12.231 -1.383 1.00 1.92 H new ATOM 0 HE22 GLN A 352 2.512 -13.770 -1.801 1.00 1.92 H new ATOM 234 N HIS A 353 -2.117 -8.560 -3.188 1.00 0.07 N ATOM 235 CA HIS A 353 -3.237 -7.929 -3.876 1.00 0.07 C ATOM 236 C HIS A 353 -3.866 -6.866 -2.979 1.00 0.06 C ATOM 237 O HIS A 353 -4.233 -7.131 -1.851 1.00 0.07 O ATOM 238 CB HIS A 353 -4.284 -8.983 -4.225 1.00 0.08 C ATOM 239 CG HIS A 353 -5.152 -8.614 -5.390 1.00 0.09 C ATOM 240 ND1 HIS A 353 -4.869 -8.952 -6.696 1.00 0.11 N ATOM 241 CD2 HIS A 353 -6.315 -7.937 -5.433 1.00 0.12 C ATOM 242 CE1 HIS A 353 -5.827 -8.489 -7.481 1.00 0.13 C ATOM 243 NE2 HIS A 353 -6.721 -7.874 -6.738 1.00 0.13 N ATOM 0 H HIS A 353 -2.184 -8.547 -2.170 1.00 0.07 H new ATOM 0 HA HIS A 353 -2.874 -7.459 -4.790 1.00 0.07 H new ATOM 0 HB2 HIS A 353 -3.779 -9.924 -4.444 1.00 0.08 H new ATOM 0 HB3 HIS A 353 -4.916 -9.156 -3.354 1.00 0.08 H new ATOM 0 HD1 HIS A 353 -4.051 -9.476 -7.007 1.00 0.11 H new ATOM 0 HD2 HIS A 353 -6.836 -7.517 -4.585 1.00 0.12 H new ATOM 0 HE1 HIS A 353 -5.868 -8.598 -8.555 1.00 0.13 H new ATOM 252 N MET A 354 -3.945 -5.665 -3.487 1.00 0.05 N ATOM 253 CA MET A 354 -4.511 -4.540 -2.784 1.00 0.05 C ATOM 254 C MET A 354 -5.823 -4.115 -3.423 1.00 0.04 C ATOM 255 O MET A 354 -5.908 -3.894 -4.626 1.00 0.05 O ATOM 256 CB MET A 354 -3.498 -3.415 -2.818 1.00 0.05 C ATOM 257 CG MET A 354 -3.964 -2.189 -2.091 1.00 0.06 C ATOM 258 SD MET A 354 -3.621 -0.685 -2.981 1.00 0.06 S ATOM 259 CE MET A 354 -4.672 -1.025 -4.353 1.00 0.06 C ATOM 0 H MET A 354 -3.610 -5.434 -4.423 1.00 0.05 H new ATOM 0 HA MET A 354 -4.731 -4.809 -1.751 1.00 0.05 H new ATOM 0 HB2 MET A 354 -2.564 -3.761 -2.376 1.00 0.05 H new ATOM 0 HB3 MET A 354 -3.284 -3.157 -3.855 1.00 0.05 H new ATOM 0 HG2 MET A 354 -5.037 -2.264 -1.913 1.00 0.06 H new ATOM 0 HG3 MET A 354 -3.481 -2.146 -1.115 1.00 0.06 H new ATOM 0 HE1 MET A 354 -4.581 -0.225 -5.088 1.00 0.06 H new ATOM 0 HE2 MET A 354 -4.381 -1.972 -4.808 1.00 0.06 H new ATOM 0 HE3 MET A 354 -5.706 -1.089 -4.013 1.00 0.06 H new ATOM 269 N TRP A 355 -6.838 -4.025 -2.581 1.00 0.05 N ATOM 270 CA TRP A 355 -8.196 -3.721 -2.992 1.00 0.05 C ATOM 271 C TRP A 355 -8.646 -2.376 -2.500 1.00 0.05 C ATOM 272 O TRP A 355 -7.976 -1.752 -1.708 1.00 0.05 O ATOM 273 CB TRP A 355 -9.186 -4.724 -2.436 1.00 0.06 C ATOM 274 CG TRP A 355 -9.071 -6.084 -2.992 1.00 0.07 C ATOM 275 CD1 TRP A 355 -9.692 -6.547 -4.094 1.00 0.08 C ATOM 276 CD2 TRP A 355 -8.320 -7.162 -2.454 1.00 0.08 C ATOM 277 NE1 TRP A 355 -9.357 -7.851 -4.310 1.00 0.09 N ATOM 278 CE2 TRP A 355 -8.514 -8.263 -3.298 1.00 0.08 C ATOM 279 CE3 TRP A 355 -7.495 -7.295 -1.342 1.00 0.08 C ATOM 280 CZ2 TRP A 355 -7.902 -9.495 -3.055 1.00 0.10 C ATOM 281 CZ3 TRP A 355 -6.895 -8.502 -1.102 1.00 0.09 C ATOM 282 CH2 TRP A 355 -7.098 -9.594 -1.953 1.00 0.10 C ATOM 0 H TRP A 355 -6.739 -4.164 -1.575 1.00 0.05 H new ATOM 0 HA TRP A 355 -8.177 -3.748 -4.081 1.00 0.05 H new ATOM 0 HB2 TRP A 355 -9.058 -4.777 -1.355 1.00 0.06 H new ATOM 0 HB3 TRP A 355 -10.195 -4.356 -2.620 1.00 0.06 H new ATOM 0 HD1 TRP A 355 -10.359 -5.969 -4.717 1.00 0.08 H new ATOM 0 HE1 TRP A 355 -9.676 -8.426 -5.090 1.00 0.09 H new ATOM 0 HE3 TRP A 355 -7.330 -6.459 -0.678 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 -8.058 -10.338 -3.712 1.00 0.10 H new ATOM 0 HZ3 TRP A 355 -6.253 -8.613 -0.240 1.00 0.09 H new ATOM 0 HH2 TRP A 355 -6.611 -10.533 -1.736 1.00 0.10 H new ATOM 293 N TYR A 356 -9.816 -1.976 -2.938 1.00 0.06 N ATOM 294 CA TYR A 356 -10.522 -0.870 -2.334 1.00 0.06 C ATOM 295 C TYR A 356 -11.885 -1.371 -2.014 1.00 0.06 C ATOM 296 O TYR A 356 -12.591 -1.827 -2.881 1.00 0.07 O ATOM 297 CB TYR A 356 -10.594 0.325 -3.256 1.00 0.06 C ATOM 298 CG TYR A 356 -11.402 1.498 -2.678 1.00 0.08 C ATOM 299 CD1 TYR A 356 -12.774 1.415 -2.474 1.00 0.18 C ATOM 300 CD2 TYR A 356 -10.798 2.699 -2.380 1.00 0.07 C ATOM 301 CE1 TYR A 356 -13.504 2.486 -1.989 1.00 0.22 C ATOM 302 CE2 TYR A 356 -11.523 3.771 -1.904 1.00 0.09 C ATOM 303 CZ TYR A 356 -12.872 3.662 -1.711 1.00 0.13 C ATOM 304 OH TYR A 356 -13.590 4.741 -1.237 1.00 0.20 O ATOM 0 H TYR A 356 -10.305 -2.407 -3.722 1.00 0.06 H new ATOM 0 HA TYR A 356 -10.000 -0.528 -1.441 1.00 0.06 H new ATOM 0 HB2 TYR A 356 -9.582 0.665 -3.477 1.00 0.06 H new ATOM 0 HB3 TYR A 356 -11.040 0.018 -4.202 1.00 0.06 H new ATOM 0 HD1 TYR A 356 -13.284 0.490 -2.700 1.00 0.18 H new ATOM 0 HD2 TYR A 356 -9.733 2.804 -2.522 1.00 0.07 H new ATOM 0 HE1 TYR A 356 -14.568 2.391 -1.832 1.00 0.22 H new ATOM 0 HE2 TYR A 356 -11.022 4.702 -1.682 1.00 0.09 H new ATOM 0 HH TYR A 356 -12.985 5.498 -1.090 1.00 0.20 H new ATOM 314 N TYR A 357 -12.233 -1.355 -0.767 1.00 0.09 N ATOM 315 CA TYR A 357 -13.523 -1.833 -0.382 1.00 0.11 C ATOM 316 C TYR A 357 -14.462 -0.710 -0.106 1.00 0.12 C ATOM 317 O TYR A 357 -14.170 0.205 0.644 1.00 0.14 O ATOM 318 CB TYR A 357 -13.479 -2.745 0.831 1.00 0.12 C ATOM 319 CG TYR A 357 -13.063 -4.145 0.517 1.00 0.12 C ATOM 320 CD1 TYR A 357 -11.772 -4.438 0.092 1.00 0.12 C ATOM 321 CD2 TYR A 357 -13.962 -5.179 0.652 1.00 0.14 C ATOM 322 CE1 TYR A 357 -11.402 -5.737 -0.195 1.00 0.14 C ATOM 323 CE2 TYR A 357 -13.605 -6.465 0.372 1.00 0.16 C ATOM 324 CZ TYR A 357 -12.262 -6.723 -0.076 1.00 0.14 C ATOM 325 OH TYR A 357 -11.996 -8.046 -0.347 1.00 0.18 O ATOM 0 H TYR A 357 -11.647 -1.019 -0.002 1.00 0.09 H new ATOM 0 HA TYR A 357 -13.882 -2.413 -1.232 1.00 0.11 H new ATOM 0 HB2 TYR A 357 -12.789 -2.327 1.564 1.00 0.12 H new ATOM 0 HB3 TYR A 357 -14.465 -2.764 1.296 1.00 0.12 H new ATOM 0 HD1 TYR A 357 -11.051 -3.641 -0.015 1.00 0.12 H new ATOM 0 HD2 TYR A 357 -14.967 -4.968 0.985 1.00 0.14 H new ATOM 0 HE1 TYR A 357 -10.394 -5.945 -0.521 1.00 0.14 H new ATOM 0 HE2 TYR A 357 -14.314 -7.272 0.484 1.00 0.16 H new ATOM 0 HH TYR A 357 -11.135 -8.294 0.050 1.00 0.18 H new ATOM 335 N LYS A 358 -15.591 -0.815 -0.720 1.00 0.12 N ATOM 336 CA LYS A 358 -16.673 0.040 -0.508 1.00 0.14 C ATOM 337 C LYS A 358 -17.923 -0.736 -0.717 1.00 0.17 C ATOM 338 O LYS A 358 -18.024 -1.558 -1.626 1.00 0.19 O ATOM 339 CB LYS A 358 -16.604 1.215 -1.406 1.00 0.18 C ATOM 340 CG LYS A 358 -17.880 1.874 -1.522 1.00 0.24 C ATOM 341 CD LYS A 358 -17.648 3.311 -1.372 1.00 0.28 C ATOM 342 CE LYS A 358 -17.119 3.872 -2.641 1.00 0.42 C ATOM 343 NZ LYS A 358 -17.348 5.333 -2.764 1.00 0.47 N1+ ATOM 0 H LYS A 358 -15.778 -1.539 -1.414 1.00 0.12 H new ATOM 0 HA LYS A 358 -16.651 0.427 0.511 1.00 0.14 H new ATOM 0 HB2 LYS A 358 -15.864 1.920 -1.027 1.00 0.18 H new ATOM 0 HB3 LYS A 358 -16.267 0.899 -2.393 1.00 0.18 H new ATOM 0 HG2 LYS A 358 -18.337 1.658 -2.488 1.00 0.24 H new ATOM 0 HG3 LYS A 358 -18.568 1.515 -0.757 1.00 0.24 H new ATOM 0 HD2 LYS A 358 -18.578 3.812 -1.102 1.00 0.28 H new ATOM 0 HD3 LYS A 358 -16.942 3.492 -0.562 1.00 0.28 H new ATOM 0 HE2 LYS A 358 -16.050 3.670 -2.704 1.00 0.42 H new ATOM 0 HE3 LYS A 358 -17.590 3.363 -3.482 1.00 0.42 H new ATOM 0 HZ1 LYS A 358 -16.959 5.671 -3.668 1.00 0.47 H new ATOM 0 HZ2 LYS A 358 -18.369 5.528 -2.732 1.00 0.47 H new ATOM 0 HZ3 LYS A 358 -16.877 5.826 -1.979 1.00 0.47 H new ATOM 357 N ASP A 359 -18.850 -0.488 0.183 1.00 0.23 N ATOM 358 CA ASP A 359 -20.148 -1.103 0.149 1.00 0.30 C ATOM 359 C ASP A 359 -20.006 -2.547 0.516 1.00 0.27 C ATOM 360 O ASP A 359 -20.905 -3.362 0.340 1.00 0.33 O ATOM 361 CB ASP A 359 -20.761 -0.943 -1.229 1.00 0.34 C ATOM 362 CG ASP A 359 -22.255 -0.715 -1.190 1.00 0.44 C ATOM 363 OD1 ASP A 359 -22.681 0.454 -1.104 1.00 0.49 O1- ATOM 364 OD2 ASP A 359 -23.013 -1.707 -1.235 1.00 0.60 O ATOM 0 H ASP A 359 -18.717 0.154 0.965 1.00 0.23 H new ATOM 0 HA ASP A 359 -20.813 -0.620 0.865 1.00 0.30 H new ATOM 0 HB2 ASP A 359 -20.285 -0.105 -1.737 1.00 0.34 H new ATOM 0 HB3 ASP A 359 -20.551 -1.835 -1.820 1.00 0.34 H new ATOM 369 N GLY A 360 -18.836 -2.819 1.076 1.00 0.22 N ATOM 370 CA GLY A 360 -18.503 -4.133 1.528 1.00 0.21 C ATOM 371 C GLY A 360 -18.054 -5.017 0.399 1.00 0.19 C ATOM 372 O GLY A 360 -18.013 -6.241 0.505 1.00 0.23 O ATOM 0 H GLY A 360 -18.102 -2.126 1.223 1.00 0.22 H new ATOM 0 HA2 GLY A 360 -17.713 -4.070 2.276 1.00 0.21 H new ATOM 0 HA3 GLY A 360 -19.369 -4.579 2.016 1.00 0.21 H new ATOM 376 N LYS A 361 -17.707 -4.348 -0.658 1.00 0.16 N ATOM 377 CA LYS A 361 -17.400 -4.912 -1.934 1.00 0.17 C ATOM 378 C LYS A 361 -16.173 -4.180 -2.432 1.00 0.13 C ATOM 379 O LYS A 361 -15.803 -3.176 -1.838 1.00 0.15 O ATOM 380 CB LYS A 361 -18.639 -4.661 -2.786 1.00 0.22 C ATOM 381 CG LYS A 361 -18.407 -4.291 -4.220 1.00 0.32 C ATOM 382 CD LYS A 361 -18.662 -5.438 -5.162 1.00 0.55 C ATOM 383 CE LYS A 361 -17.999 -6.680 -4.669 1.00 0.52 C ATOM 384 NZ LYS A 361 -18.047 -7.792 -5.653 1.00 0.68 N1+ ATOM 0 H LYS A 361 -17.626 -3.331 -0.650 1.00 0.16 H new ATOM 0 HA LYS A 361 -17.178 -5.979 -1.939 1.00 0.17 H new ATOM 0 HB2 LYS A 361 -19.256 -5.559 -2.762 1.00 0.22 H new ATOM 0 HB3 LYS A 361 -19.218 -3.864 -2.318 1.00 0.22 H new ATOM 0 HG2 LYS A 361 -19.056 -3.456 -4.486 1.00 0.32 H new ATOM 0 HG3 LYS A 361 -17.380 -3.947 -4.341 1.00 0.32 H new ATOM 0 HD2 LYS A 361 -19.735 -5.605 -5.258 1.00 0.55 H new ATOM 0 HD3 LYS A 361 -18.288 -5.190 -6.155 1.00 0.55 H new ATOM 0 HE2 LYS A 361 -16.959 -6.459 -4.428 1.00 0.52 H new ATOM 0 HE3 LYS A 361 -18.479 -6.999 -3.744 1.00 0.52 H new ATOM 0 HZ1 LYS A 361 -17.572 -8.628 -5.256 1.00 0.68 H new ATOM 0 HZ2 LYS A 361 -19.038 -8.026 -5.865 1.00 0.68 H new ATOM 0 HZ3 LYS A 361 -17.565 -7.502 -6.528 1.00 0.68 H new ATOM 398 N VAL A 362 -15.511 -4.631 -3.473 1.00 0.10 N ATOM 399 CA VAL A 362 -14.356 -3.883 -3.888 1.00 0.09 C ATOM 400 C VAL A 362 -14.652 -3.008 -5.042 1.00 0.09 C ATOM 401 O VAL A 362 -15.369 -3.330 -5.990 1.00 0.11 O ATOM 402 CB VAL A 362 -13.062 -4.658 -4.163 1.00 0.18 C ATOM 403 CG1 VAL A 362 -12.785 -5.675 -3.098 1.00 0.53 C ATOM 404 CG2 VAL A 362 -13.032 -5.269 -5.528 1.00 0.52 C ATOM 0 H VAL A 362 -15.736 -5.463 -4.018 1.00 0.10 H new ATOM 0 HA VAL A 362 -14.142 -3.303 -2.990 1.00 0.09 H new ATOM 0 HB VAL A 362 -12.256 -3.925 -4.135 1.00 0.18 H new ATOM 0 HG11 VAL A 362 -11.860 -6.202 -3.330 1.00 0.53 H new ATOM 0 HG12 VAL A 362 -12.686 -5.175 -2.135 1.00 0.53 H new ATOM 0 HG13 VAL A 362 -13.608 -6.389 -3.053 1.00 0.53 H new ATOM 0 HG21 VAL A 362 -12.093 -5.805 -5.666 1.00 0.52 H new ATOM 0 HG22 VAL A 362 -13.865 -5.964 -5.634 1.00 0.52 H new ATOM 0 HG23 VAL A 362 -13.116 -4.484 -6.280 1.00 0.52 H new ATOM 414 N ALA A 363 -14.091 -1.877 -4.868 1.00 0.09 N ATOM 415 CA ALA A 363 -14.112 -0.825 -5.788 1.00 0.10 C ATOM 416 C ALA A 363 -12.893 -0.918 -6.644 1.00 0.10 C ATOM 417 O ALA A 363 -12.857 -0.452 -7.780 1.00 0.12 O ATOM 418 CB ALA A 363 -14.061 0.428 -4.989 1.00 0.11 C ATOM 0 H ALA A 363 -13.571 -1.652 -4.020 1.00 0.09 H new ATOM 0 HA ALA A 363 -14.997 -0.853 -6.424 1.00 0.10 H new ATOM 0 HB1 ALA A 363 -14.075 1.288 -5.659 1.00 0.11 H new ATOM 0 HB2 ALA A 363 -14.924 0.472 -4.325 1.00 0.11 H new ATOM 0 HB3 ALA A 363 -13.146 0.445 -4.396 1.00 0.11 H new ATOM 424 N LEU A 364 -11.886 -1.544 -6.071 1.00 0.08 N ATOM 425 CA LEU A 364 -10.601 -1.572 -6.677 1.00 0.07 C ATOM 426 C LEU A 364 -9.873 -2.822 -6.242 1.00 0.06 C ATOM 427 O LEU A 364 -10.178 -3.392 -5.197 1.00 0.08 O ATOM 428 CB LEU A 364 -9.809 -0.323 -6.326 1.00 0.06 C ATOM 429 CG LEU A 364 -8.838 0.065 -7.413 1.00 0.07 C ATOM 430 CD1 LEU A 364 -9.507 0.896 -8.475 1.00 0.07 C ATOM 431 CD2 LEU A 364 -7.642 0.796 -6.890 1.00 0.06 C ATOM 0 H LEU A 364 -11.949 -2.039 -5.181 1.00 0.08 H new ATOM 0 HA LEU A 364 -10.714 -1.588 -7.761 1.00 0.07 H new ATOM 0 HB2 LEU A 364 -10.498 0.502 -6.146 1.00 0.06 H new ATOM 0 HB3 LEU A 364 -9.263 -0.491 -5.398 1.00 0.06 H new ATOM 0 HG LEU A 364 -8.493 -0.872 -7.849 1.00 0.07 H new ATOM 0 HD11 LEU A 364 -8.780 1.159 -9.243 1.00 0.07 H new ATOM 0 HD12 LEU A 364 -10.320 0.326 -8.925 1.00 0.07 H new ATOM 0 HD13 LEU A 364 -9.906 1.806 -8.027 1.00 0.07 H new ATOM 0 HD21 LEU A 364 -6.980 1.049 -7.718 1.00 0.06 H new ATOM 0 HD22 LEU A 364 -7.964 1.710 -6.390 1.00 0.06 H new ATOM 0 HD23 LEU A 364 -7.110 0.163 -6.180 1.00 0.06 H new ATOM 443 N GLU A 365 -8.937 -3.248 -7.058 1.00 0.07 N ATOM 444 CA GLU A 365 -8.213 -4.500 -6.849 1.00 0.07 C ATOM 445 C GLU A 365 -7.004 -4.535 -7.732 1.00 0.07 C ATOM 446 O GLU A 365 -7.117 -4.404 -8.951 1.00 0.09 O ATOM 447 CB GLU A 365 -9.042 -5.733 -7.186 1.00 0.09 C ATOM 448 CG GLU A 365 -10.408 -5.420 -7.759 1.00 0.22 C ATOM 449 CD GLU A 365 -10.849 -6.426 -8.795 1.00 0.26 C ATOM 450 OE1 GLU A 365 -10.443 -6.291 -9.967 1.00 0.60 O1- ATOM 451 OE2 GLU A 365 -11.589 -7.367 -8.441 1.00 0.61 O ATOM 0 H GLU A 365 -8.648 -2.739 -7.893 1.00 0.07 H new ATOM 0 HA GLU A 365 -7.955 -4.527 -5.790 1.00 0.07 H new ATOM 0 HB2 GLU A 365 -8.491 -6.344 -7.901 1.00 0.09 H new ATOM 0 HB3 GLU A 365 -9.166 -6.332 -6.284 1.00 0.09 H new ATOM 0 HG2 GLU A 365 -11.139 -5.392 -6.951 1.00 0.22 H new ATOM 0 HG3 GLU A 365 -10.391 -4.427 -8.207 1.00 0.22 H new ATOM 458 N THR A 366 -5.854 -4.688 -7.138 1.00 0.06 N ATOM 459 CA THR A 366 -4.666 -4.852 -7.908 1.00 0.06 C ATOM 460 C THR A 366 -3.657 -5.724 -7.214 1.00 0.06 C ATOM 461 O THR A 366 -3.767 -6.037 -6.040 1.00 0.07 O ATOM 462 CB THR A 366 -4.079 -3.490 -8.249 1.00 0.07 C ATOM 463 OG1 THR A 366 -2.855 -3.623 -8.955 1.00 0.09 O ATOM 464 CG2 THR A 366 -3.873 -2.699 -6.990 1.00 0.07 C ATOM 0 H THR A 366 -5.720 -4.702 -6.127 1.00 0.06 H new ATOM 0 HA THR A 366 -4.932 -5.363 -8.833 1.00 0.06 H new ATOM 0 HB THR A 366 -4.781 -2.962 -8.895 1.00 0.07 H new ATOM 0 HG1 THR A 366 -3.015 -4.088 -9.803 1.00 0.09 H new ATOM 0 HG21 THR A 366 -3.453 -1.724 -7.237 1.00 0.07 H new ATOM 0 HG22 THR A 366 -4.829 -2.564 -6.485 1.00 0.07 H new ATOM 0 HG23 THR A 366 -3.187 -3.234 -6.333 1.00 0.07 H new ATOM 472 N ASP A 367 -2.694 -6.103 -7.987 1.00 0.07 N ATOM 473 CA ASP A 367 -1.586 -6.891 -7.575 1.00 0.10 C ATOM 474 C ASP A 367 -0.534 -5.966 -7.047 1.00 0.10 C ATOM 475 O ASP A 367 -0.372 -4.850 -7.542 1.00 0.11 O ATOM 476 CB ASP A 367 -1.083 -7.679 -8.775 1.00 0.15 C ATOM 477 CG ASP A 367 -0.955 -6.874 -10.067 1.00 1.14 C ATOM 478 OD1 ASP A 367 -1.882 -6.103 -10.403 1.00 1.88 O ATOM 479 OD2 ASP A 367 0.037 -7.063 -10.794 1.00 1.54 O1- ATOM 0 H ASP A 367 -2.660 -5.856 -8.976 1.00 0.07 H new ATOM 0 HA ASP A 367 -1.860 -7.597 -6.791 1.00 0.10 H new ATOM 0 HB2 ASP A 367 -0.109 -8.103 -8.530 1.00 0.15 H new ATOM 0 HB3 ASP A 367 -1.759 -8.515 -8.951 1.00 0.15 H new ATOM 484 N ILE A 368 0.111 -6.396 -5.989 1.00 0.09 N ATOM 485 CA ILE A 368 1.081 -5.568 -5.307 1.00 0.09 C ATOM 486 C ILE A 368 2.263 -6.365 -4.791 1.00 0.09 C ATOM 487 O ILE A 368 2.399 -7.553 -5.055 1.00 0.11 O ATOM 488 CB ILE A 368 0.442 -4.842 -4.125 1.00 0.08 C ATOM 489 CG1 ILE A 368 -0.274 -5.857 -3.254 1.00 0.08 C ATOM 490 CG2 ILE A 368 -0.491 -3.744 -4.605 1.00 0.08 C ATOM 491 CD1 ILE A 368 0.461 -6.164 -1.978 1.00 0.11 C ATOM 0 H ILE A 368 -0.019 -7.321 -5.578 1.00 0.09 H new ATOM 0 HA ILE A 368 1.437 -4.851 -6.047 1.00 0.09 H new ATOM 0 HB ILE A 368 1.214 -4.355 -3.529 1.00 0.08 H new ATOM 0 HG12 ILE A 368 -1.268 -5.482 -3.012 1.00 0.08 H new ATOM 0 HG13 ILE A 368 -0.410 -6.779 -3.819 1.00 0.08 H new ATOM 0 HG21 ILE A 368 -0.934 -3.241 -3.745 1.00 0.08 H new ATOM 0 HG22 ILE A 368 0.071 -3.022 -5.197 1.00 0.08 H new ATOM 0 HG23 ILE A 368 -1.281 -4.179 -5.217 1.00 0.08 H new ATOM 0 HD11 ILE A 368 -0.103 -6.896 -1.400 1.00 0.11 H new ATOM 0 HD12 ILE A 368 1.446 -6.568 -2.213 1.00 0.11 H new ATOM 0 HD13 ILE A 368 0.574 -5.250 -1.394 1.00 0.11 H new ATOM 503 N VAL A 369 3.102 -5.681 -4.035 1.00 0.09 N ATOM 504 CA VAL A 369 4.247 -6.290 -3.379 1.00 0.09 C ATOM 505 C VAL A 369 4.602 -5.464 -2.151 1.00 0.09 C ATOM 506 O VAL A 369 4.880 -4.268 -2.243 1.00 0.11 O ATOM 507 CB VAL A 369 5.475 -6.481 -4.321 1.00 0.10 C ATOM 508 CG1 VAL A 369 5.370 -5.653 -5.580 1.00 0.10 C ATOM 509 CG2 VAL A 369 6.777 -6.146 -3.622 1.00 0.12 C ATOM 0 H VAL A 369 3.009 -4.681 -3.857 1.00 0.09 H new ATOM 0 HA VAL A 369 3.967 -7.300 -3.080 1.00 0.09 H new ATOM 0 HB VAL A 369 5.472 -7.536 -4.595 1.00 0.10 H new ATOM 0 HG11 VAL A 369 6.250 -5.822 -6.201 1.00 0.10 H new ATOM 0 HG12 VAL A 369 4.475 -5.941 -6.132 1.00 0.10 H new ATOM 0 HG13 VAL A 369 5.309 -4.597 -5.317 1.00 0.10 H new ATOM 0 HG21 VAL A 369 7.608 -6.292 -4.312 1.00 0.12 H new ATOM 0 HG22 VAL A 369 6.756 -5.107 -3.293 1.00 0.12 H new ATOM 0 HG23 VAL A 369 6.904 -6.798 -2.758 1.00 0.12 H new ATOM 519 N SER A 370 4.531 -6.094 -0.998 1.00 0.09 N ATOM 520 CA SER A 370 4.590 -5.387 0.256 1.00 0.10 C ATOM 521 C SER A 370 5.390 -6.131 1.313 1.00 0.10 C ATOM 522 O SER A 370 5.325 -7.351 1.410 1.00 0.10 O ATOM 523 CB SER A 370 3.175 -5.200 0.738 1.00 0.12 C ATOM 524 OG SER A 370 3.147 -4.898 2.105 1.00 0.70 O ATOM 0 H SER A 370 4.431 -7.105 -0.907 1.00 0.09 H new ATOM 0 HA SER A 370 5.095 -4.435 0.095 1.00 0.10 H new ATOM 0 HB2 SER A 370 2.698 -4.398 0.175 1.00 0.12 H new ATOM 0 HB3 SER A 370 2.600 -6.107 0.550 1.00 0.12 H new ATOM 0 HG SER A 370 3.774 -4.168 2.292 1.00 0.70 H new ATOM 530 N GLY A 371 6.112 -5.367 2.118 1.00 0.09 N ATOM 531 CA GLY A 371 6.629 -5.892 3.360 1.00 0.10 C ATOM 532 C GLY A 371 7.814 -6.846 3.268 1.00 0.11 C ATOM 533 O GLY A 371 7.767 -7.879 3.927 1.00 0.13 O ATOM 0 H GLY A 371 6.348 -4.392 1.932 1.00 0.09 H new ATOM 0 HA2 GLY A 371 6.920 -5.050 3.989 1.00 0.10 H new ATOM 0 HA3 GLY A 371 5.818 -6.408 3.873 1.00 0.10 H new ATOM 537 N LYS A 372 8.848 -6.549 2.461 1.00 0.11 N ATOM 538 CA LYS A 372 9.930 -7.484 2.223 1.00 0.14 C ATOM 539 C LYS A 372 10.410 -8.077 3.529 1.00 0.16 C ATOM 540 O LYS A 372 10.428 -7.396 4.540 1.00 0.19 O ATOM 541 CB LYS A 372 11.084 -6.792 1.530 1.00 0.17 C ATOM 542 CG LYS A 372 11.688 -5.648 2.261 1.00 0.22 C ATOM 543 CD LYS A 372 13.153 -5.833 2.148 1.00 0.30 C ATOM 544 CE LYS A 372 13.884 -4.537 2.144 1.00 0.47 C ATOM 545 NZ LYS A 372 15.337 -4.717 1.874 1.00 0.48 N1+ ATOM 0 H LYS A 372 8.945 -5.662 1.967 1.00 0.11 H new ATOM 0 HA LYS A 372 9.555 -8.282 1.582 1.00 0.14 H new ATOM 0 HB2 LYS A 372 11.864 -7.530 1.341 1.00 0.17 H new ATOM 0 HB3 LYS A 372 10.739 -6.436 0.559 1.00 0.17 H new ATOM 0 HG2 LYS A 372 11.378 -4.698 1.827 1.00 0.22 H new ATOM 0 HG3 LYS A 372 11.373 -5.639 3.305 1.00 0.22 H new ATOM 0 HD2 LYS A 372 13.505 -6.445 2.979 1.00 0.30 H new ATOM 0 HD3 LYS A 372 13.379 -6.379 1.232 1.00 0.30 H new ATOM 0 HE2 LYS A 372 13.453 -3.880 1.388 1.00 0.47 H new ATOM 0 HE3 LYS A 372 13.753 -4.044 3.107 1.00 0.47 H new ATOM 0 HZ1 LYS A 372 15.809 -3.790 1.880 1.00 0.48 H new ATOM 0 HZ2 LYS A 372 15.754 -5.323 2.609 1.00 0.48 H new ATOM 0 HZ3 LYS A 372 15.464 -5.164 0.944 1.00 0.48 H new ATOM 559 N PRO A 373 10.782 -9.350 3.490 1.00 0.18 N ATOM 560 CA PRO A 373 11.100 -10.192 4.652 1.00 0.20 C ATOM 561 C PRO A 373 11.763 -9.474 5.842 1.00 0.20 C ATOM 562 O PRO A 373 11.535 -9.827 7.001 1.00 0.22 O ATOM 563 CB PRO A 373 12.034 -11.183 4.003 1.00 0.23 C ATOM 564 CG PRO A 373 11.333 -11.464 2.739 1.00 0.22 C ATOM 565 CD PRO A 373 10.936 -10.112 2.249 1.00 0.19 C ATOM 0 HA PRO A 373 10.210 -10.600 5.131 1.00 0.20 H new ATOM 0 HB2 PRO A 373 13.026 -10.763 3.837 1.00 0.23 H new ATOM 0 HB3 PRO A 373 12.164 -12.080 4.608 1.00 0.23 H new ATOM 0 HG2 PRO A 373 11.981 -11.974 2.026 1.00 0.22 H new ATOM 0 HG3 PRO A 373 10.465 -12.104 2.896 1.00 0.22 H new ATOM 0 HD2 PRO A 373 11.696 -9.678 1.599 1.00 0.19 H new ATOM 0 HD3 PRO A 373 10.009 -10.145 1.677 1.00 0.19 H new ATOM 573 N THR A 374 12.581 -8.471 5.544 1.00 0.20 N ATOM 574 CA THR A 374 13.297 -7.710 6.553 1.00 0.23 C ATOM 575 C THR A 374 12.365 -6.748 7.277 1.00 0.20 C ATOM 576 O THR A 374 12.482 -6.530 8.483 1.00 0.23 O ATOM 577 CB THR A 374 14.429 -6.907 5.892 1.00 0.28 C ATOM 578 OG1 THR A 374 13.928 -5.676 5.342 1.00 0.28 O ATOM 579 CG2 THR A 374 15.043 -7.714 4.774 1.00 0.30 C ATOM 0 H THR A 374 12.765 -8.164 4.589 1.00 0.20 H new ATOM 0 HA THR A 374 13.708 -8.413 7.277 1.00 0.23 H new ATOM 0 HB THR A 374 15.175 -6.686 6.655 1.00 0.28 H new ATOM 0 HG1 THR A 374 14.664 -5.179 4.928 1.00 0.28 H new ATOM 0 HG21 THR A 374 15.845 -7.140 4.309 1.00 0.30 H new ATOM 0 HG22 THR A 374 15.447 -8.643 5.176 1.00 0.30 H new ATOM 0 HG23 THR A 374 14.281 -7.942 4.029 1.00 0.30 H new ATOM 587 N THR A 375 11.444 -6.166 6.522 1.00 0.18 N ATOM 588 CA THR A 375 10.509 -5.203 7.061 1.00 0.18 C ATOM 589 C THR A 375 9.126 -5.403 6.457 1.00 0.14 C ATOM 590 O THR A 375 8.679 -4.658 5.583 1.00 0.13 O ATOM 591 CB THR A 375 10.977 -3.762 6.841 1.00 0.23 C ATOM 592 OG1 THR A 375 12.371 -3.634 7.168 1.00 0.30 O ATOM 593 CG2 THR A 375 10.160 -2.818 7.697 1.00 0.27 C ATOM 0 H THR A 375 11.328 -6.350 5.525 1.00 0.18 H new ATOM 0 HA THR A 375 10.458 -5.373 8.136 1.00 0.18 H new ATOM 0 HB THR A 375 10.838 -3.506 5.791 1.00 0.23 H new ATOM 0 HG1 THR A 375 12.907 -4.134 6.517 1.00 0.30 H new ATOM 0 HG21 THR A 375 10.499 -1.795 7.535 1.00 0.27 H new ATOM 0 HG22 THR A 375 9.108 -2.899 7.425 1.00 0.27 H new ATOM 0 HG23 THR A 375 10.285 -3.080 8.748 1.00 0.27 H new ATOM 601 N PRO A 376 8.476 -6.457 6.914 1.00 0.13 N ATOM 602 CA PRO A 376 7.144 -6.872 6.489 1.00 0.11 C ATOM 603 C PRO A 376 6.037 -5.960 6.969 1.00 0.11 C ATOM 604 O PRO A 376 6.184 -5.187 7.918 1.00 0.15 O ATOM 605 CB PRO A 376 6.987 -8.237 7.138 1.00 0.14 C ATOM 606 CG PRO A 376 8.353 -8.638 7.482 1.00 0.16 C ATOM 607 CD PRO A 376 9.030 -7.384 7.870 1.00 0.15 C ATOM 0 HA PRO A 376 7.062 -6.861 5.402 1.00 0.11 H new ATOM 0 HB2 PRO A 376 6.354 -8.185 8.024 1.00 0.14 H new ATOM 0 HB3 PRO A 376 6.524 -8.950 6.456 1.00 0.14 H new ATOM 0 HG2 PRO A 376 8.359 -9.360 8.299 1.00 0.16 H new ATOM 0 HG3 PRO A 376 8.851 -9.111 6.636 1.00 0.16 H new ATOM 0 HD2 PRO A 376 8.807 -7.097 8.898 1.00 0.15 H new ATOM 0 HD3 PRO A 376 10.114 -7.460 7.788 1.00 0.15 H new ATOM 615 N THR A 377 4.925 -6.082 6.275 1.00 0.08 N ATOM 616 CA THR A 377 3.724 -5.352 6.572 1.00 0.08 C ATOM 617 C THR A 377 3.070 -5.856 7.858 1.00 0.08 C ATOM 618 O THR A 377 3.190 -7.023 8.230 1.00 0.11 O ATOM 619 CB THR A 377 2.741 -5.512 5.410 1.00 0.09 C ATOM 620 OG1 THR A 377 3.364 -6.307 4.393 1.00 0.12 O ATOM 621 CG2 THR A 377 2.327 -4.176 4.832 1.00 0.11 C ATOM 0 H THR A 377 4.835 -6.706 5.473 1.00 0.08 H new ATOM 0 HA THR A 377 3.985 -4.303 6.711 1.00 0.08 H new ATOM 0 HB THR A 377 1.839 -5.998 5.783 1.00 0.09 H new ATOM 0 HG1 THR A 377 3.312 -5.839 3.534 1.00 0.12 H new ATOM 0 HG21 THR A 377 1.629 -4.336 4.010 1.00 0.11 H new ATOM 0 HG22 THR A 377 1.845 -3.578 5.606 1.00 0.11 H new ATOM 0 HG23 THR A 377 3.208 -3.650 4.463 1.00 0.11 H new ATOM 629 N PRO A 378 2.335 -4.953 8.503 1.00 0.07 N ATOM 630 CA PRO A 378 1.766 -5.131 9.835 1.00 0.07 C ATOM 631 C PRO A 378 0.486 -5.951 9.849 1.00 0.07 C ATOM 632 O PRO A 378 0.352 -6.878 10.648 1.00 0.09 O ATOM 633 CB PRO A 378 1.445 -3.701 10.273 1.00 0.08 C ATOM 634 CG PRO A 378 1.743 -2.810 9.120 1.00 0.09 C ATOM 635 CD PRO A 378 1.983 -3.668 7.940 1.00 0.08 C ATOM 0 HA PRO A 378 2.458 -5.672 10.480 1.00 0.07 H new ATOM 0 HB2 PRO A 378 0.399 -3.614 10.566 1.00 0.08 H new ATOM 0 HB3 PRO A 378 2.043 -3.421 11.140 1.00 0.08 H new ATOM 0 HG2 PRO A 378 0.911 -2.131 8.936 1.00 0.09 H new ATOM 0 HG3 PRO A 378 2.617 -2.193 9.329 1.00 0.09 H new ATOM 0 HD2 PRO A 378 1.095 -3.738 7.311 1.00 0.08 H new ATOM 0 HD3 PRO A 378 2.785 -3.273 7.317 1.00 0.08 H new ATOM 643 N ALA A 379 -0.452 -5.583 8.977 1.00 0.06 N ATOM 644 CA ALA A 379 -1.750 -6.233 8.878 1.00 0.07 C ATOM 645 C ALA A 379 -2.647 -5.998 10.086 1.00 0.07 C ATOM 646 O ALA A 379 -2.296 -6.293 11.228 1.00 0.09 O ATOM 647 CB ALA A 379 -1.573 -7.690 8.565 1.00 0.08 C ATOM 0 H ALA A 379 -0.327 -4.817 8.315 1.00 0.06 H new ATOM 0 HA ALA A 379 -2.283 -5.764 8.051 1.00 0.07 H new ATOM 0 HB1 ALA A 379 -2.550 -8.168 8.493 1.00 0.08 H new ATOM 0 HB2 ALA A 379 -1.046 -7.797 7.617 1.00 0.08 H new ATOM 0 HB3 ALA A 379 -0.994 -8.165 9.357 1.00 0.08 H new ATOM 653 N GLY A 380 -3.821 -5.448 9.795 1.00 0.08 N ATOM 654 CA GLY A 380 -4.784 -5.115 10.817 1.00 0.10 C ATOM 655 C GLY A 380 -5.851 -4.194 10.288 1.00 0.10 C ATOM 656 O GLY A 380 -6.493 -4.489 9.283 1.00 0.11 O ATOM 0 H GLY A 380 -4.123 -5.225 8.847 1.00 0.08 H new ATOM 0 HA2 GLY A 380 -5.244 -6.027 11.196 1.00 0.10 H new ATOM 0 HA3 GLY A 380 -4.276 -4.641 11.657 1.00 0.10 H new ATOM 660 N VAL A 381 -6.013 -3.067 10.953 1.00 0.11 N ATOM 661 CA VAL A 381 -6.983 -2.071 10.572 1.00 0.12 C ATOM 662 C VAL A 381 -6.298 -0.712 10.477 1.00 0.12 C ATOM 663 O VAL A 381 -5.930 -0.091 11.472 1.00 0.21 O ATOM 664 CB VAL A 381 -8.162 -2.050 11.557 1.00 0.16 C ATOM 665 CG1 VAL A 381 -7.737 -1.673 12.971 1.00 0.89 C ATOM 666 CG2 VAL A 381 -9.282 -1.147 11.051 1.00 0.87 C ATOM 0 H VAL A 381 -5.468 -2.819 11.779 1.00 0.11 H new ATOM 0 HA VAL A 381 -7.395 -2.319 9.594 1.00 0.12 H new ATOM 0 HB VAL A 381 -8.547 -3.068 11.612 1.00 0.16 H new ATOM 0 HG11 VAL A 381 -8.609 -1.674 13.625 1.00 0.89 H new ATOM 0 HG12 VAL A 381 -7.008 -2.396 13.337 1.00 0.89 H new ATOM 0 HG13 VAL A 381 -7.290 -0.679 12.964 1.00 0.89 H new ATOM 0 HG21 VAL A 381 -10.104 -1.150 11.767 1.00 0.87 H new ATOM 0 HG22 VAL A 381 -8.906 -0.131 10.935 1.00 0.87 H new ATOM 0 HG23 VAL A 381 -9.638 -1.514 10.088 1.00 0.87 H new ATOM 676 N PHE A 382 -6.094 -0.277 9.262 1.00 0.10 N ATOM 677 CA PHE A 382 -5.265 0.868 8.986 1.00 0.10 C ATOM 678 C PHE A 382 -6.123 2.036 8.541 1.00 0.09 C ATOM 679 O PHE A 382 -7.280 1.842 8.194 1.00 0.11 O ATOM 680 CB PHE A 382 -4.332 0.460 7.866 1.00 0.16 C ATOM 681 CG PHE A 382 -3.432 -0.673 8.224 1.00 0.11 C ATOM 682 CD1 PHE A 382 -2.289 -0.470 8.972 1.00 0.14 C ATOM 683 CD2 PHE A 382 -3.741 -1.955 7.804 1.00 0.08 C ATOM 684 CE1 PHE A 382 -1.469 -1.528 9.291 1.00 0.15 C ATOM 685 CE2 PHE A 382 -2.930 -3.010 8.121 1.00 0.08 C ATOM 686 CZ PHE A 382 -1.795 -2.800 8.863 1.00 0.10 C ATOM 0 H PHE A 382 -6.500 -0.708 8.431 1.00 0.10 H new ATOM 0 HA PHE A 382 -4.712 1.178 9.873 1.00 0.10 H new ATOM 0 HB2 PHE A 382 -4.924 0.182 6.994 1.00 0.16 H new ATOM 0 HB3 PHE A 382 -3.725 1.319 7.578 1.00 0.16 H new ATOM 0 HD1 PHE A 382 -2.037 0.525 9.309 1.00 0.14 H new ATOM 0 HD2 PHE A 382 -4.633 -2.124 7.219 1.00 0.08 H new ATOM 0 HE1 PHE A 382 -0.574 -1.364 9.874 1.00 0.15 H new ATOM 0 HE2 PHE A 382 -3.182 -4.006 7.788 1.00 0.08 H new ATOM 0 HZ PHE A 382 -1.154 -3.633 9.113 1.00 0.10 H new ATOM 696 N TYR A 383 -5.571 3.243 8.557 1.00 0.08 N ATOM 697 CA TYR A 383 -6.292 4.413 8.054 1.00 0.09 C ATOM 698 C TYR A 383 -5.345 5.405 7.441 1.00 0.09 C ATOM 699 O TYR A 383 -4.305 5.704 8.025 1.00 0.11 O ATOM 700 CB TYR A 383 -7.080 5.155 9.134 1.00 0.12 C ATOM 701 CG TYR A 383 -8.068 4.317 9.917 1.00 0.25 C ATOM 702 CD1 TYR A 383 -9.270 3.920 9.342 1.00 0.39 C ATOM 703 CD2 TYR A 383 -7.804 3.918 11.220 1.00 0.53 C ATOM 704 CE1 TYR A 383 -10.177 3.151 10.044 1.00 0.51 C ATOM 705 CE2 TYR A 383 -8.708 3.152 11.928 1.00 0.64 C ATOM 706 CZ TYR A 383 -9.873 2.786 11.377 1.00 0.54 C ATOM 707 OH TYR A 383 -10.795 1.997 12.035 1.00 0.69 O ATOM 0 H TYR A 383 -4.634 3.440 8.909 1.00 0.08 H new ATOM 0 HA TYR A 383 -6.990 4.016 7.317 1.00 0.09 H new ATOM 0 HB2 TYR A 383 -6.372 5.598 9.834 1.00 0.12 H new ATOM 0 HB3 TYR A 383 -7.621 5.977 8.664 1.00 0.12 H new ATOM 0 HD1 TYR A 383 -9.498 4.218 8.329 1.00 0.39 H new ATOM 0 HD2 TYR A 383 -6.876 4.212 11.688 1.00 0.53 H new ATOM 0 HE1 TYR A 383 -11.101 2.834 9.584 1.00 0.51 H new ATOM 0 HE2 TYR A 383 -8.474 2.845 12.936 1.00 0.64 H new ATOM 0 HH TYR A 383 -10.477 1.810 12.943 1.00 0.69 H new ATOM 717 N VAL A 384 -5.719 5.962 6.305 1.00 0.09 N ATOM 718 CA VAL A 384 -4.896 6.974 5.692 1.00 0.10 C ATOM 719 C VAL A 384 -5.020 8.284 6.447 1.00 0.11 C ATOM 720 O VAL A 384 -6.113 8.829 6.616 1.00 0.13 O ATOM 721 CB VAL A 384 -5.202 7.169 4.184 1.00 0.11 C ATOM 722 CG1 VAL A 384 -6.650 6.889 3.876 1.00 0.12 C ATOM 723 CG2 VAL A 384 -4.842 8.571 3.734 1.00 0.14 C ATOM 0 H VAL A 384 -6.574 5.733 5.798 1.00 0.09 H new ATOM 0 HA VAL A 384 -3.865 6.626 5.752 1.00 0.10 H new ATOM 0 HB VAL A 384 -4.589 6.454 3.635 1.00 0.11 H new ATOM 0 HG11 VAL A 384 -6.830 7.035 2.811 1.00 0.12 H new ATOM 0 HG12 VAL A 384 -6.887 5.860 4.146 1.00 0.12 H new ATOM 0 HG13 VAL A 384 -7.282 7.569 4.447 1.00 0.12 H new ATOM 0 HG21 VAL A 384 -5.066 8.681 2.673 1.00 0.14 H new ATOM 0 HG22 VAL A 384 -5.422 9.296 4.305 1.00 0.14 H new ATOM 0 HG23 VAL A 384 -3.779 8.745 3.900 1.00 0.14 H new ATOM 733 N TRP A 385 -3.893 8.768 6.929 1.00 0.12 N ATOM 734 CA TRP A 385 -3.878 9.987 7.701 1.00 0.14 C ATOM 735 C TRP A 385 -3.256 11.127 6.938 1.00 0.16 C ATOM 736 O TRP A 385 -3.067 12.220 7.467 1.00 0.19 O ATOM 737 CB TRP A 385 -3.144 9.801 9.002 1.00 0.16 C ATOM 738 CG TRP A 385 -1.826 9.135 8.840 1.00 0.15 C ATOM 739 CD1 TRP A 385 -1.595 7.802 8.797 1.00 0.14 C ATOM 740 CD2 TRP A 385 -0.563 9.774 8.697 1.00 0.15 C ATOM 741 NE1 TRP A 385 -0.246 7.565 8.660 1.00 0.14 N ATOM 742 CE2 TRP A 385 0.407 8.766 8.594 1.00 0.15 C ATOM 743 CE3 TRP A 385 -0.161 11.105 8.653 1.00 0.17 C ATOM 744 CZ2 TRP A 385 1.761 9.050 8.450 1.00 0.15 C ATOM 745 CZ3 TRP A 385 1.174 11.388 8.507 1.00 0.18 C ATOM 746 CH2 TRP A 385 2.127 10.366 8.408 1.00 0.17 C ATOM 0 H TRP A 385 -2.979 8.334 6.798 1.00 0.12 H new ATOM 0 HA TRP A 385 -4.919 10.234 7.908 1.00 0.14 H new ATOM 0 HB2 TRP A 385 -2.997 10.774 9.471 1.00 0.16 H new ATOM 0 HB3 TRP A 385 -3.761 9.211 9.679 1.00 0.16 H new ATOM 0 HD1 TRP A 385 -2.356 7.038 8.861 1.00 0.14 H new ATOM 0 HE1 TRP A 385 0.194 6.646 8.615 1.00 0.14 H new ATOM 0 HE3 TRP A 385 -0.886 11.901 8.732 1.00 0.17 H new ATOM 0 HZ2 TRP A 385 2.495 8.261 8.374 1.00 0.15 H new ATOM 0 HZ3 TRP A 385 1.496 12.418 8.468 1.00 0.18 H new ATOM 0 HH2 TRP A 385 3.170 10.623 8.296 1.00 0.17 H new ATOM 757 N ASN A 386 -2.951 10.865 5.690 1.00 0.16 N ATOM 758 CA ASN A 386 -2.416 11.882 4.809 1.00 0.21 C ATOM 759 C ASN A 386 -2.510 11.429 3.368 1.00 0.20 C ATOM 760 O ASN A 386 -2.430 10.246 3.070 1.00 0.18 O ATOM 761 CB ASN A 386 -0.963 12.210 5.146 1.00 0.24 C ATOM 762 CG ASN A 386 -0.522 13.487 4.483 1.00 0.32 C ATOM 763 OD1 ASN A 386 -0.054 13.366 3.262 1.00 0.41 O flip ATOM 764 ND2 ASN A 386 -0.608 14.569 5.058 1.00 0.31 N flip ATOM 0 H ASN A 386 -3.064 9.949 5.256 1.00 0.16 H new ATOM 0 HA ASN A 386 -3.012 12.784 4.950 1.00 0.21 H new ATOM 0 HB2 ASN A 386 -0.850 12.301 6.226 1.00 0.24 H new ATOM 0 HB3 ASN A 386 -0.319 11.391 4.826 1.00 0.24 H new ATOM 0 HD21 ASN A 386 -0.978 14.614 6.007 1.00 0.31 H new ATOM 0 HD22 ASN A 386 -0.309 15.422 4.586 1.00 0.31 H new ATOM 771 N LYS A 387 -2.719 12.375 2.490 1.00 0.22 N ATOM 772 CA LYS A 387 -2.614 12.140 1.076 1.00 0.22 C ATOM 773 C LYS A 387 -1.385 12.826 0.558 1.00 0.19 C ATOM 774 O LYS A 387 -1.259 14.048 0.622 1.00 0.24 O ATOM 775 CB LYS A 387 -3.818 12.666 0.355 1.00 0.32 C ATOM 776 CG LYS A 387 -5.009 11.779 0.396 1.00 1.09 C ATOM 777 CD LYS A 387 -6.228 12.654 0.377 1.00 0.96 C ATOM 778 CE LYS A 387 -6.172 13.639 -0.762 1.00 0.57 C ATOM 779 NZ LYS A 387 -7.492 13.839 -1.418 1.00 0.67 N1+ ATOM 0 H LYS A 387 -2.968 13.333 2.738 1.00 0.22 H new ATOM 0 HA LYS A 387 -2.551 11.066 0.902 1.00 0.22 H new ATOM 0 HB2 LYS A 387 -4.087 13.631 0.784 1.00 0.32 H new ATOM 0 HB3 LYS A 387 -3.551 12.843 -0.687 1.00 0.32 H new ATOM 0 HG2 LYS A 387 -5.011 11.101 -0.458 1.00 1.09 H new ATOM 0 HG3 LYS A 387 -4.995 11.161 1.294 1.00 1.09 H new ATOM 0 HD2 LYS A 387 -7.121 12.036 0.284 1.00 0.96 H new ATOM 0 HD3 LYS A 387 -6.309 13.191 1.322 1.00 0.96 H new ATOM 0 HE2 LYS A 387 -5.808 14.597 -0.390 1.00 0.57 H new ATOM 0 HE3 LYS A 387 -5.453 13.290 -1.503 1.00 0.57 H new ATOM 0 HZ1 LYS A 387 -7.394 14.526 -2.193 1.00 0.67 H new ATOM 0 HZ2 LYS A 387 -7.831 12.933 -1.799 1.00 0.67 H new ATOM 0 HZ3 LYS A 387 -8.175 14.199 -0.721 1.00 0.67 H new ATOM 793 N GLU A 388 -0.476 12.043 0.090 1.00 0.18 N ATOM 794 CA GLU A 388 0.754 12.566 -0.429 1.00 0.18 C ATOM 795 C GLU A 388 0.963 12.246 -1.876 1.00 0.23 C ATOM 796 O GLU A 388 1.184 11.131 -2.287 1.00 0.38 O ATOM 797 CB GLU A 388 1.891 12.064 0.407 1.00 0.16 C ATOM 798 CG GLU A 388 2.521 13.184 1.172 1.00 0.16 C ATOM 799 CD GLU A 388 3.756 12.781 1.951 1.00 0.20 C ATOM 800 OE1 GLU A 388 3.638 11.940 2.869 1.00 0.32 O1- ATOM 801 OE2 GLU A 388 4.856 13.278 1.633 1.00 0.32 O ATOM 0 H GLU A 388 -0.557 11.027 0.053 1.00 0.18 H new ATOM 0 HA GLU A 388 0.705 13.653 -0.373 1.00 0.18 H new ATOM 0 HB2 GLU A 388 1.531 11.302 1.099 1.00 0.16 H new ATOM 0 HB3 GLU A 388 2.636 11.589 -0.231 1.00 0.16 H new ATOM 0 HG2 GLU A 388 2.786 13.981 0.477 1.00 0.16 H new ATOM 0 HG3 GLU A 388 1.786 13.596 1.864 1.00 0.16 H new ATOM 808 N GLU A 389 0.908 13.278 -2.637 1.00 0.17 N ATOM 809 CA GLU A 389 1.125 13.217 -4.028 1.00 0.19 C ATOM 810 C GLU A 389 2.484 13.744 -4.349 1.00 0.21 C ATOM 811 O GLU A 389 2.977 14.695 -3.743 1.00 0.26 O ATOM 812 CB GLU A 389 0.088 14.053 -4.704 1.00 0.21 C ATOM 813 CG GLU A 389 -1.305 13.680 -4.323 1.00 0.30 C ATOM 814 CD GLU A 389 -1.944 14.652 -3.352 1.00 1.06 C ATOM 815 OE1 GLU A 389 -1.536 14.657 -2.171 1.00 1.18 O ATOM 816 OE2 GLU A 389 -2.857 15.399 -3.750 1.00 1.96 O1- ATOM 0 H GLU A 389 0.704 14.216 -2.293 1.00 0.17 H new ATOM 0 HA GLU A 389 1.058 12.185 -4.373 1.00 0.19 H new ATOM 0 HB2 GLU A 389 0.257 15.101 -4.457 1.00 0.21 H new ATOM 0 HB3 GLU A 389 0.201 13.958 -5.784 1.00 0.21 H new ATOM 0 HG2 GLU A 389 -1.917 13.622 -5.223 1.00 0.30 H new ATOM 0 HG3 GLU A 389 -1.298 12.685 -3.878 1.00 0.30 H new ATOM 823 N ASP A 390 3.054 13.086 -5.342 1.00 0.20 N ATOM 824 CA ASP A 390 4.386 13.385 -5.846 1.00 0.19 C ATOM 825 C ASP A 390 5.371 13.278 -4.701 1.00 0.21 C ATOM 826 O ASP A 390 6.495 13.768 -4.751 1.00 0.40 O ATOM 827 CB ASP A 390 4.414 14.769 -6.489 1.00 0.24 C ATOM 828 CG ASP A 390 5.754 15.142 -7.096 1.00 0.26 C ATOM 829 OD1 ASP A 390 6.069 14.655 -8.203 1.00 0.38 O1- ATOM 830 OD2 ASP A 390 6.509 15.907 -6.458 1.00 0.36 O ATOM 0 H ASP A 390 2.598 12.315 -5.831 1.00 0.20 H new ATOM 0 HA ASP A 390 4.666 12.669 -6.619 1.00 0.19 H new ATOM 0 HB2 ASP A 390 3.650 14.813 -7.266 1.00 0.24 H new ATOM 0 HB3 ASP A 390 4.148 15.513 -5.738 1.00 0.24 H new ATOM 835 N ALA A 391 4.940 12.531 -3.710 1.00 0.15 N ATOM 836 CA ALA A 391 5.570 12.488 -2.429 1.00 0.16 C ATOM 837 C ALA A 391 6.749 11.564 -2.399 1.00 0.15 C ATOM 838 O ALA A 391 7.029 10.814 -3.333 1.00 0.16 O ATOM 839 CB ALA A 391 4.550 12.060 -1.401 1.00 0.16 C ATOM 0 H ALA A 391 4.122 11.926 -3.784 1.00 0.15 H new ATOM 0 HA ALA A 391 5.948 13.485 -2.204 1.00 0.16 H new ATOM 0 HB1 ALA A 391 5.018 12.023 -0.417 1.00 0.16 H new ATOM 0 HB2 ALA A 391 3.728 12.775 -1.385 1.00 0.16 H new ATOM 0 HB3 ALA A 391 4.167 11.072 -1.658 1.00 0.16 H new ATOM 845 N THR A 392 7.436 11.653 -1.303 1.00 0.16 N ATOM 846 CA THR A 392 8.628 10.902 -1.088 1.00 0.17 C ATOM 847 C THR A 392 8.538 10.156 0.214 1.00 0.16 C ATOM 848 O THR A 392 8.620 10.718 1.308 1.00 0.18 O ATOM 849 CB THR A 392 9.879 11.774 -1.107 1.00 0.20 C ATOM 850 OG1 THR A 392 10.162 12.199 -2.450 1.00 0.27 O ATOM 851 CG2 THR A 392 11.062 11.000 -0.537 1.00 0.22 C ATOM 0 H THR A 392 7.179 12.258 -0.523 1.00 0.16 H new ATOM 0 HA THR A 392 8.717 10.195 -1.913 1.00 0.17 H new ATOM 0 HB THR A 392 9.707 12.656 -0.490 1.00 0.20 H new ATOM 0 HG1 THR A 392 10.966 12.760 -2.453 1.00 0.27 H new ATOM 0 HG21 THR A 392 11.951 11.630 -0.554 1.00 0.22 H new ATOM 0 HG22 THR A 392 10.844 10.707 0.490 1.00 0.22 H new ATOM 0 HG23 THR A 392 11.237 10.108 -1.139 1.00 0.22 H new ATOM 859 N LEU A 393 8.306 8.895 0.050 1.00 0.15 N ATOM 860 CA LEU A 393 8.283 7.944 1.108 1.00 0.16 C ATOM 861 C LEU A 393 9.659 7.679 1.579 1.00 0.17 C ATOM 862 O LEU A 393 10.616 7.910 0.862 1.00 0.18 O ATOM 863 CB LEU A 393 7.676 6.692 0.570 1.00 0.16 C ATOM 864 CG LEU A 393 6.177 6.731 0.441 1.00 0.19 C ATOM 865 CD1 LEU A 393 5.746 7.809 -0.534 1.00 0.16 C ATOM 866 CD2 LEU A 393 5.674 5.402 -0.030 1.00 0.24 C ATOM 0 H LEU A 393 8.120 8.484 -0.865 1.00 0.15 H new ATOM 0 HA LEU A 393 7.703 8.320 1.951 1.00 0.16 H new ATOM 0 HB2 LEU A 393 8.107 6.486 -0.410 1.00 0.16 H new ATOM 0 HB3 LEU A 393 7.951 5.861 1.220 1.00 0.16 H new ATOM 0 HG LEU A 393 5.755 6.958 1.420 1.00 0.19 H new ATOM 0 HD11 LEU A 393 4.659 7.817 -0.610 1.00 0.16 H new ATOM 0 HD12 LEU A 393 6.092 8.780 -0.180 1.00 0.16 H new ATOM 0 HD13 LEU A 393 6.177 7.606 -1.515 1.00 0.16 H new ATOM 0 HD21 LEU A 393 4.588 5.436 -0.122 1.00 0.24 H new ATOM 0 HD22 LEU A 393 6.113 5.170 -1.000 1.00 0.24 H new ATOM 0 HD23 LEU A 393 5.954 4.632 0.689 1.00 0.24 H new ATOM 878 N LYS A 394 9.745 7.223 2.789 1.00 0.20 N ATOM 879 CA LYS A 394 10.969 6.991 3.423 1.00 0.24 C ATOM 880 C LYS A 394 10.798 5.883 4.407 1.00 0.30 C ATOM 881 O LYS A 394 9.718 5.303 4.500 1.00 0.38 O ATOM 882 CB LYS A 394 11.425 8.236 4.098 1.00 0.29 C ATOM 883 CG LYS A 394 12.217 9.040 3.165 1.00 0.29 C ATOM 884 CD LYS A 394 11.686 10.415 3.001 1.00 0.61 C ATOM 885 CE LYS A 394 12.055 11.268 4.177 1.00 0.52 C ATOM 886 NZ LYS A 394 11.589 12.670 4.024 1.00 0.67 N1+ ATOM 0 H LYS A 394 8.933 7.001 3.365 1.00 0.20 H new ATOM 0 HA LYS A 394 11.726 6.703 2.693 1.00 0.24 H new ATOM 0 HB2 LYS A 394 10.565 8.808 4.447 1.00 0.29 H new ATOM 0 HB3 LYS A 394 12.021 7.988 4.976 1.00 0.29 H new ATOM 0 HG2 LYS A 394 13.246 9.092 3.520 1.00 0.29 H new ATOM 0 HG3 LYS A 394 12.239 8.545 2.194 1.00 0.29 H new ATOM 0 HD2 LYS A 394 12.082 10.857 2.086 1.00 0.61 H new ATOM 0 HD3 LYS A 394 10.602 10.381 2.895 1.00 0.61 H new ATOM 0 HE2 LYS A 394 11.624 10.841 5.082 1.00 0.52 H new ATOM 0 HE3 LYS A 394 13.138 11.259 4.304 1.00 0.52 H new ATOM 0 HZ1 LYS A 394 11.867 13.221 4.861 1.00 0.67 H new ATOM 0 HZ2 LYS A 394 12.020 13.088 3.175 1.00 0.67 H new ATOM 0 HZ3 LYS A 394 10.553 12.683 3.929 1.00 0.67 H new ATOM 1015 N GLU A 404 13.928 5.823 0.672 1.00 0.28 N ATOM 1016 CA GLU A 404 12.889 6.624 0.046 1.00 0.24 C ATOM 1017 C GLU A 404 12.157 5.862 -1.036 1.00 0.24 C ATOM 1018 O GLU A 404 12.644 4.878 -1.595 1.00 0.31 O ATOM 1019 CB GLU A 404 13.427 7.890 -0.585 1.00 0.27 C ATOM 1020 CG GLU A 404 13.649 9.049 0.347 1.00 0.29 C ATOM 1021 CD GLU A 404 14.578 10.090 -0.234 1.00 0.36 C ATOM 1022 OE1 GLU A 404 14.184 10.773 -1.205 1.00 0.45 O ATOM 1023 OE2 GLU A 404 15.712 10.229 0.271 1.00 0.62 O1- ATOM 0 HA GLU A 404 12.209 6.877 0.860 1.00 0.24 H new ATOM 0 HB2 GLU A 404 14.373 7.655 -1.073 1.00 0.27 H new ATOM 0 HB3 GLU A 404 12.735 8.205 -1.366 1.00 0.27 H new ATOM 0 HG2 GLU A 404 12.690 9.512 0.580 1.00 0.29 H new ATOM 0 HG3 GLU A 404 14.062 8.682 1.286 1.00 0.29 H new ATOM 1030 N SER A 405 10.967 6.352 -1.291 1.00 0.20 N ATOM 1031 CA SER A 405 10.101 5.872 -2.314 1.00 0.20 C ATOM 1032 C SER A 405 9.488 7.077 -3.026 1.00 0.18 C ATOM 1033 O SER A 405 8.563 7.714 -2.508 1.00 0.23 O ATOM 1034 CB SER A 405 9.031 5.026 -1.637 1.00 0.26 C ATOM 1035 OG SER A 405 7.733 5.351 -2.081 1.00 1.33 O ATOM 0 H SER A 405 10.569 7.129 -0.763 1.00 0.20 H new ATOM 0 HA SER A 405 10.626 5.267 -3.053 1.00 0.20 H new ATOM 0 HB2 SER A 405 9.226 3.972 -1.833 1.00 0.26 H new ATOM 0 HB3 SER A 405 9.089 5.166 -0.558 1.00 0.26 H new ATOM 0 HG SER A 405 7.720 5.379 -3.061 1.00 1.33 H new ATOM 1041 N PRO A 406 10.036 7.451 -4.184 1.00 0.18 N ATOM 1042 CA PRO A 406 9.483 8.514 -5.002 1.00 0.19 C ATOM 1043 C PRO A 406 8.147 8.106 -5.574 1.00 0.17 C ATOM 1044 O PRO A 406 8.056 7.397 -6.576 1.00 0.17 O ATOM 1045 CB PRO A 406 10.517 8.666 -6.107 1.00 0.20 C ATOM 1046 CG PRO A 406 11.116 7.328 -6.198 1.00 0.19 C ATOM 1047 CD PRO A 406 11.225 6.881 -4.783 1.00 0.18 C ATOM 0 HA PRO A 406 9.303 9.436 -4.449 1.00 0.19 H new ATOM 0 HB2 PRO A 406 10.058 8.966 -7.049 1.00 0.20 H new ATOM 0 HB3 PRO A 406 11.261 9.423 -5.860 1.00 0.20 H new ATOM 0 HG2 PRO A 406 10.493 6.651 -6.783 1.00 0.19 H new ATOM 0 HG3 PRO A 406 12.092 7.361 -6.682 1.00 0.19 H new ATOM 0 HD2 PRO A 406 11.240 5.794 -4.700 1.00 0.18 H new ATOM 0 HD3 PRO A 406 12.135 7.250 -4.310 1.00 0.18 H new ATOM 1055 N VAL A 407 7.130 8.620 -4.965 1.00 0.17 N ATOM 1056 CA VAL A 407 5.795 8.275 -5.243 1.00 0.17 C ATOM 1057 C VAL A 407 5.071 9.463 -5.841 1.00 0.19 C ATOM 1058 O VAL A 407 5.570 10.587 -5.865 1.00 0.30 O ATOM 1059 CB VAL A 407 5.208 7.813 -3.905 1.00 0.16 C ATOM 1060 CG1 VAL A 407 3.943 8.540 -3.557 1.00 0.15 C ATOM 1061 CG2 VAL A 407 5.074 6.297 -3.866 1.00 0.23 C ATOM 0 H VAL A 407 7.222 9.321 -4.230 1.00 0.17 H new ATOM 0 HA VAL A 407 5.699 7.479 -5.982 1.00 0.17 H new ATOM 0 HB VAL A 407 5.911 8.082 -3.116 1.00 0.16 H new ATOM 0 HG11 VAL A 407 3.566 8.177 -2.601 1.00 0.15 H new ATOM 0 HG12 VAL A 407 4.145 9.609 -3.485 1.00 0.15 H new ATOM 0 HG13 VAL A 407 3.197 8.363 -4.332 1.00 0.15 H new ATOM 0 HG21 VAL A 407 4.655 5.993 -2.907 1.00 0.23 H new ATOM 0 HG22 VAL A 407 4.415 5.969 -4.670 1.00 0.23 H new ATOM 0 HG23 VAL A 407 6.056 5.842 -3.994 1.00 0.23 H new ATOM 1071 N ASN A 408 3.944 9.155 -6.398 1.00 0.19 N ATOM 1072 CA ASN A 408 3.103 10.076 -7.093 1.00 0.21 C ATOM 1073 C ASN A 408 1.818 10.159 -6.331 1.00 0.19 C ATOM 1074 O ASN A 408 1.175 11.199 -6.245 1.00 0.26 O ATOM 1075 CB ASN A 408 2.887 9.472 -8.453 1.00 0.34 C ATOM 1076 CG ASN A 408 4.204 9.177 -9.095 1.00 1.01 C ATOM 1077 OD1 ASN A 408 4.694 8.005 -8.778 1.00 1.84 O flip ATOM 1078 ND2 ASN A 408 4.772 9.979 -9.838 1.00 1.01 N flip ATOM 0 H ASN A 408 3.567 8.208 -6.380 1.00 0.19 H new ATOM 0 HA ASN A 408 3.521 11.078 -7.186 1.00 0.21 H new ATOM 0 HB2 ASN A 408 2.303 8.556 -8.365 1.00 0.34 H new ATOM 0 HB3 ASN A 408 2.314 10.157 -9.078 1.00 0.34 H new ATOM 0 HD21 ASN A 408 4.337 10.878 -10.046 1.00 1.01 H new ATOM 0 HD22 ASN A 408 5.677 9.744 -10.245 1.00 1.01 H new ATOM 1085 N TYR A 409 1.482 9.020 -5.760 1.00 0.15 N ATOM 1086 CA TYR A 409 0.316 8.895 -4.895 1.00 0.15 C ATOM 1087 C TYR A 409 0.656 8.084 -3.661 1.00 0.14 C ATOM 1088 O TYR A 409 0.974 6.899 -3.743 1.00 0.15 O ATOM 1089 CB TYR A 409 -0.858 8.256 -5.616 1.00 0.19 C ATOM 1090 CG TYR A 409 -1.242 8.990 -6.870 1.00 0.23 C ATOM 1091 CD1 TYR A 409 -1.656 10.310 -6.806 1.00 0.38 C ATOM 1092 CD2 TYR A 409 -1.164 8.383 -8.113 1.00 0.31 C ATOM 1093 CE1 TYR A 409 -1.986 11.008 -7.940 1.00 0.44 C ATOM 1094 CE2 TYR A 409 -1.490 9.077 -9.259 1.00 0.34 C ATOM 1095 CZ TYR A 409 -1.902 10.391 -9.167 1.00 0.35 C ATOM 1096 OH TYR A 409 -2.220 11.097 -10.306 1.00 0.41 O ATOM 0 H TYR A 409 2.006 8.153 -5.879 1.00 0.15 H new ATOM 0 HA TYR A 409 0.025 9.903 -4.601 1.00 0.15 H new ATOM 0 HB2 TYR A 409 -0.607 7.225 -5.866 1.00 0.19 H new ATOM 0 HB3 TYR A 409 -1.716 8.221 -4.944 1.00 0.19 H new ATOM 0 HD1 TYR A 409 -1.720 10.799 -5.845 1.00 0.38 H new ATOM 0 HD2 TYR A 409 -0.844 7.354 -8.185 1.00 0.31 H new ATOM 0 HE1 TYR A 409 -2.310 12.036 -7.870 1.00 0.44 H new ATOM 0 HE2 TYR A 409 -1.423 8.595 -10.223 1.00 0.34 H new ATOM 0 HH TYR A 409 -1.694 10.756 -11.060 1.00 0.41 H new ATOM 1106 N TRP A 410 0.583 8.747 -2.532 1.00 0.13 N ATOM 1107 CA TRP A 410 0.886 8.168 -1.241 1.00 0.11 C ATOM 1108 C TRP A 410 -0.294 8.305 -0.326 1.00 0.10 C ATOM 1109 O TRP A 410 -0.938 9.353 -0.258 1.00 0.12 O ATOM 1110 CB TRP A 410 2.089 8.885 -0.622 1.00 0.12 C ATOM 1111 CG TRP A 410 2.511 8.410 0.730 1.00 0.11 C ATOM 1112 CD1 TRP A 410 2.875 9.204 1.768 1.00 0.12 C ATOM 1113 CD2 TRP A 410 2.630 7.063 1.200 1.00 0.11 C ATOM 1114 NE1 TRP A 410 3.234 8.452 2.839 1.00 0.13 N ATOM 1115 CE2 TRP A 410 3.088 7.129 2.525 1.00 0.11 C ATOM 1116 CE3 TRP A 410 2.400 5.812 0.637 1.00 0.11 C ATOM 1117 CZ2 TRP A 410 3.319 5.995 3.293 1.00 0.12 C ATOM 1118 CZ3 TRP A 410 2.633 4.687 1.393 1.00 0.11 C ATOM 1119 CH2 TRP A 410 3.090 4.782 2.712 1.00 0.11 C ATOM 0 H TRP A 410 0.305 9.727 -2.482 1.00 0.13 H new ATOM 0 HA TRP A 410 1.118 7.111 -1.376 1.00 0.11 H new ATOM 0 HB2 TRP A 410 2.936 8.784 -1.301 1.00 0.12 H new ATOM 0 HB3 TRP A 410 1.858 9.948 -0.556 1.00 0.12 H new ATOM 0 HD1 TRP A 410 2.879 10.284 1.745 1.00 0.12 H new ATOM 0 HE1 TRP A 410 3.560 8.815 3.735 1.00 0.13 H new ATOM 0 HE3 TRP A 410 2.044 5.725 -0.379 1.00 0.11 H new ATOM 0 HZ2 TRP A 410 3.667 6.071 4.313 1.00 0.12 H new ATOM 0 HZ3 TRP A 410 2.460 3.713 0.961 1.00 0.11 H new ATOM 0 HH2 TRP A 410 3.264 3.880 3.280 1.00 0.11 H new ATOM 1130 N MET A 411 -0.578 7.242 0.362 1.00 0.09 N ATOM 1131 CA MET A 411 -1.587 7.267 1.373 1.00 0.10 C ATOM 1132 C MET A 411 -1.122 6.528 2.626 1.00 0.09 C ATOM 1133 O MET A 411 -1.413 5.347 2.809 1.00 0.10 O ATOM 1134 CB MET A 411 -2.845 6.665 0.807 1.00 0.12 C ATOM 1135 CG MET A 411 -3.859 7.702 0.369 1.00 0.14 C ATOM 1136 SD MET A 411 -4.765 7.171 -1.086 1.00 0.41 S ATOM 1137 CE MET A 411 -5.108 5.483 -0.637 1.00 0.13 C ATOM 0 H MET A 411 -0.120 6.339 0.239 1.00 0.09 H new ATOM 0 HA MET A 411 -1.787 8.296 1.673 1.00 0.10 H new ATOM 0 HB2 MET A 411 -2.587 6.036 -0.045 1.00 0.12 H new ATOM 0 HB3 MET A 411 -3.299 6.017 1.556 1.00 0.12 H new ATOM 0 HG2 MET A 411 -4.558 7.894 1.183 1.00 0.14 H new ATOM 0 HG3 MET A 411 -3.350 8.642 0.158 1.00 0.14 H new ATOM 0 HE1 MET A 411 -5.559 4.966 -1.484 1.00 0.13 H new ATOM 0 HE2 MET A 411 -4.179 4.984 -0.360 1.00 0.13 H new ATOM 0 HE3 MET A 411 -5.796 5.464 0.208 1.00 0.13 H new ATOM 1147 N PRO A 412 -0.367 7.220 3.487 1.00 0.09 N ATOM 1148 CA PRO A 412 0.164 6.648 4.723 1.00 0.09 C ATOM 1149 C PRO A 412 -0.913 6.391 5.757 1.00 0.09 C ATOM 1150 O PRO A 412 -1.853 7.169 5.923 1.00 0.09 O ATOM 1151 CB PRO A 412 1.139 7.711 5.235 1.00 0.10 C ATOM 1152 CG PRO A 412 0.833 8.971 4.509 1.00 0.16 C ATOM 1153 CD PRO A 412 0.042 8.617 3.290 1.00 0.11 C ATOM 0 HA PRO A 412 0.627 5.678 4.541 1.00 0.09 H new ATOM 0 HB2 PRO A 412 1.028 7.849 6.310 1.00 0.10 H new ATOM 0 HB3 PRO A 412 2.170 7.405 5.058 1.00 0.10 H new ATOM 0 HG2 PRO A 412 0.268 9.651 5.146 1.00 0.16 H new ATOM 0 HG3 PRO A 412 1.753 9.485 4.231 1.00 0.16 H new ATOM 0 HD2 PRO A 412 -0.825 9.269 3.180 1.00 0.11 H new ATOM 0 HD3 PRO A 412 0.641 8.728 2.386 1.00 0.11 H new ATOM 1161 N ILE A 413 -0.762 5.250 6.414 1.00 0.09 N ATOM 1162 CA ILE A 413 -1.747 4.721 7.338 1.00 0.10 C ATOM 1163 C ILE A 413 -1.144 4.470 8.709 1.00 0.14 C ATOM 1164 O ILE A 413 -1.855 4.236 9.683 1.00 0.17 O ATOM 1165 CB ILE A 413 -2.284 3.405 6.795 1.00 0.09 C ATOM 1166 CG1 ILE A 413 -1.177 2.340 6.809 1.00 0.10 C ATOM 1167 CG2 ILE A 413 -2.800 3.656 5.400 1.00 0.09 C ATOM 1168 CD1 ILE A 413 -1.486 1.111 5.992 1.00 0.11 C ATOM 0 H ILE A 413 0.063 4.658 6.316 1.00 0.09 H new ATOM 0 HA ILE A 413 -2.546 5.456 7.439 1.00 0.10 H new ATOM 0 HB ILE A 413 -3.097 3.029 7.416 1.00 0.09 H new ATOM 0 HG12 ILE A 413 -0.255 2.787 6.437 1.00 0.10 H new ATOM 0 HG13 ILE A 413 -0.992 2.039 7.840 1.00 0.10 H new ATOM 0 HG21 ILE A 413 -3.192 2.728 4.985 1.00 0.09 H new ATOM 0 HG22 ILE A 413 -3.594 4.402 5.434 1.00 0.09 H new ATOM 0 HG23 ILE A 413 -1.987 4.020 4.771 1.00 0.09 H new ATOM 0 HD11 ILE A 413 -0.652 0.412 6.057 1.00 0.11 H new ATOM 0 HD12 ILE A 413 -2.389 0.636 6.376 1.00 0.11 H new ATOM 0 HD13 ILE A 413 -1.640 1.395 4.951 1.00 0.11 H new ATOM 1180 N ASP A 414 0.179 4.463 8.753 1.00 0.15 N ATOM 1181 CA ASP A 414 0.902 4.289 10.003 1.00 0.22 C ATOM 1182 C ASP A 414 2.026 5.312 10.086 1.00 0.21 C ATOM 1183 O ASP A 414 2.408 5.883 9.065 1.00 0.22 O ATOM 1184 CB ASP A 414 1.459 2.869 10.102 1.00 0.31 C ATOM 1185 CG ASP A 414 1.805 2.472 11.519 1.00 0.88 C ATOM 1186 OD1 ASP A 414 0.911 1.985 12.236 1.00 1.59 O ATOM 1187 OD2 ASP A 414 2.973 2.656 11.922 1.00 1.23 O1- ATOM 0 H ASP A 414 0.776 4.576 7.934 1.00 0.15 H new ATOM 0 HA ASP A 414 0.219 4.444 10.838 1.00 0.22 H new ATOM 0 HB2 ASP A 414 0.727 2.168 9.702 1.00 0.31 H new ATOM 0 HB3 ASP A 414 2.350 2.789 9.479 1.00 0.31 H new ATOM 1192 N TRP A 415 2.575 5.528 11.272 1.00 0.24 N ATOM 1193 CA TRP A 415 3.630 6.520 11.452 1.00 0.25 C ATOM 1194 C TRP A 415 5.014 5.884 11.419 1.00 0.27 C ATOM 1195 O TRP A 415 6.006 6.516 11.777 1.00 0.31 O ATOM 1196 CB TRP A 415 3.424 7.326 12.730 1.00 0.28 C ATOM 1197 CG TRP A 415 2.405 8.411 12.571 1.00 0.28 C ATOM 1198 CD1 TRP A 415 2.653 9.743 12.448 1.00 0.30 C ATOM 1199 CD2 TRP A 415 0.983 8.257 12.499 1.00 0.27 C ATOM 1200 NE1 TRP A 415 1.473 10.433 12.318 1.00 0.30 N ATOM 1201 CE2 TRP A 415 0.434 9.542 12.345 1.00 0.28 C ATOM 1202 CE3 TRP A 415 0.118 7.161 12.554 1.00 0.27 C ATOM 1203 CZ2 TRP A 415 -0.937 9.756 12.245 1.00 0.28 C ATOM 1204 CZ3 TRP A 415 -1.242 7.382 12.452 1.00 0.27 C ATOM 1205 CH2 TRP A 415 -1.755 8.670 12.301 1.00 0.27 C ATOM 0 H TRP A 415 2.310 5.032 12.123 1.00 0.24 H new ATOM 0 HA TRP A 415 3.569 7.210 10.611 1.00 0.25 H new ATOM 0 HB2 TRP A 415 3.113 6.656 13.531 1.00 0.28 H new ATOM 0 HB3 TRP A 415 4.374 7.767 13.034 1.00 0.28 H new ATOM 0 HD1 TRP A 415 3.635 10.192 12.452 1.00 0.30 H new ATOM 0 HE1 TRP A 415 1.385 11.444 12.218 1.00 0.30 H new ATOM 0 HE3 TRP A 415 0.505 6.160 12.674 1.00 0.27 H new ATOM 0 HZ2 TRP A 415 -1.339 10.751 12.127 1.00 0.28 H new ATOM 0 HZ3 TRP A 415 -1.920 6.542 12.490 1.00 0.27 H new ATOM 0 HH2 TRP A 415 -2.824 8.808 12.227 1.00 0.27 H new ATOM 1216 N THR A 416 5.090 4.650 10.973 1.00 0.27 N ATOM 1217 CA THR A 416 6.374 4.010 10.775 1.00 0.32 C ATOM 1218 C THR A 416 6.784 4.248 9.346 1.00 0.30 C ATOM 1219 O THR A 416 7.964 4.327 8.997 1.00 0.35 O ATOM 1220 CB THR A 416 6.292 2.503 11.036 1.00 0.40 C ATOM 1221 OG1 THR A 416 5.068 1.989 10.490 1.00 0.41 O ATOM 1222 CG2 THR A 416 6.359 2.207 12.523 1.00 0.44 C ATOM 0 H THR A 416 4.283 4.071 10.741 1.00 0.27 H new ATOM 0 HA THR A 416 7.100 4.427 11.473 1.00 0.32 H new ATOM 0 HB THR A 416 7.141 2.019 10.554 1.00 0.40 H new ATOM 0 HG1 THR A 416 4.384 1.960 11.191 1.00 0.41 H new ATOM 0 HG21 THR A 416 6.299 1.130 12.683 1.00 0.44 H new ATOM 0 HG22 THR A 416 7.300 2.582 12.927 1.00 0.44 H new ATOM 0 HG23 THR A 416 5.527 2.696 13.029 1.00 0.44 H new ATOM 1230 N GLY A 417 5.757 4.418 8.541 1.00 0.24 N ATOM 1231 CA GLY A 417 5.934 4.717 7.159 1.00 0.24 C ATOM 1232 C GLY A 417 5.226 3.740 6.269 1.00 0.19 C ATOM 1233 O GLY A 417 5.648 3.491 5.144 1.00 0.20 O ATOM 0 H GLY A 417 4.783 4.351 8.837 1.00 0.24 H new ATOM 0 HA2 GLY A 417 5.565 5.722 6.957 1.00 0.24 H new ATOM 0 HA3 GLY A 417 6.998 4.715 6.923 1.00 0.24 H new ATOM 1237 N VAL A 418 4.137 3.185 6.768 1.00 0.15 N ATOM 1238 CA VAL A 418 3.355 2.271 5.977 1.00 0.11 C ATOM 1239 C VAL A 418 2.109 2.944 5.436 1.00 0.09 C ATOM 1240 O VAL A 418 1.551 3.853 6.058 1.00 0.09 O ATOM 1241 CB VAL A 418 2.981 0.995 6.761 1.00 0.14 C ATOM 1242 CG1 VAL A 418 2.017 0.121 5.976 1.00 0.14 C ATOM 1243 CG2 VAL A 418 4.238 0.222 7.067 1.00 0.17 C ATOM 0 H VAL A 418 3.781 3.353 7.709 1.00 0.15 H new ATOM 0 HA VAL A 418 3.980 1.969 5.137 1.00 0.11 H new ATOM 0 HB VAL A 418 2.484 1.289 7.685 1.00 0.14 H new ATOM 0 HG11 VAL A 418 1.776 -0.768 6.558 1.00 0.14 H new ATOM 0 HG12 VAL A 418 1.104 0.680 5.771 1.00 0.14 H new ATOM 0 HG13 VAL A 418 2.479 -0.176 5.035 1.00 0.14 H new ATOM 0 HG21 VAL A 418 3.984 -0.682 7.621 1.00 0.17 H new ATOM 0 HG22 VAL A 418 4.733 -0.051 6.135 1.00 0.17 H new ATOM 0 HG23 VAL A 418 4.908 0.839 7.666 1.00 0.17 H new ATOM 1253 N GLY A 419 1.697 2.490 4.271 1.00 0.10 N ATOM 1254 CA GLY A 419 0.541 3.044 3.608 1.00 0.08 C ATOM 1255 C GLY A 419 0.357 2.447 2.236 1.00 0.08 C ATOM 1256 O GLY A 419 1.007 1.453 1.901 1.00 0.09 O ATOM 0 H GLY A 419 2.152 1.732 3.762 1.00 0.10 H new ATOM 0 HA2 GLY A 419 -0.349 2.859 4.210 1.00 0.08 H new ATOM 0 HA3 GLY A 419 0.651 4.125 3.525 1.00 0.08 H new ATOM 1260 N ILE A 420 -0.505 3.050 1.437 1.00 0.08 N ATOM 1261 CA ILE A 420 -0.689 2.625 0.078 1.00 0.09 C ATOM 1262 C ILE A 420 0.017 3.607 -0.844 1.00 0.07 C ATOM 1263 O ILE A 420 -0.006 4.812 -0.594 1.00 0.08 O ATOM 1264 CB ILE A 420 -2.191 2.551 -0.268 1.00 0.10 C ATOM 1265 CG1 ILE A 420 -2.616 1.113 -0.520 1.00 0.11 C ATOM 1266 CG2 ILE A 420 -2.505 3.377 -1.479 1.00 0.12 C ATOM 1267 CD1 ILE A 420 -2.780 0.274 0.723 1.00 0.11 C ATOM 0 H ILE A 420 -1.088 3.839 1.716 1.00 0.08 H new ATOM 0 HA ILE A 420 -0.265 1.629 -0.051 1.00 0.09 H new ATOM 0 HB ILE A 420 -2.743 2.946 0.585 1.00 0.10 H new ATOM 0 HG12 ILE A 420 -3.560 1.118 -1.065 1.00 0.11 H new ATOM 0 HG13 ILE A 420 -1.878 0.639 -1.166 1.00 0.11 H new ATOM 0 HG21 ILE A 420 -3.570 3.307 -1.701 1.00 0.12 H new ATOM 0 HG22 ILE A 420 -2.242 4.417 -1.288 1.00 0.12 H new ATOM 0 HG23 ILE A 420 -1.932 3.008 -2.330 1.00 0.12 H new ATOM 0 HD11 ILE A 420 -3.084 -0.735 0.444 1.00 0.11 H new ATOM 0 HD12 ILE A 420 -1.833 0.231 1.261 1.00 0.11 H new ATOM 0 HD13 ILE A 420 -3.541 0.718 1.364 1.00 0.11 H new ATOM 1279 N HIS A 421 0.647 3.114 -1.891 1.00 0.07 N ATOM 1280 CA HIS A 421 1.309 4.001 -2.834 1.00 0.07 C ATOM 1281 C HIS A 421 1.309 3.431 -4.223 1.00 0.09 C ATOM 1282 O HIS A 421 1.083 2.247 -4.433 1.00 0.11 O ATOM 1283 CB HIS A 421 2.762 4.270 -2.467 1.00 0.09 C ATOM 1284 CG HIS A 421 3.626 3.057 -2.405 1.00 0.11 C ATOM 1285 ND1 HIS A 421 4.172 2.457 -3.514 1.00 0.12 N ATOM 1286 CD2 HIS A 421 4.095 2.381 -1.336 1.00 0.13 C ATOM 1287 CE1 HIS A 421 4.970 1.461 -3.090 1.00 0.15 C ATOM 1288 NE2 HIS A 421 4.951 1.372 -1.773 1.00 0.15 N ATOM 0 H HIS A 421 0.716 2.120 -2.111 1.00 0.07 H new ATOM 0 HA HIS A 421 0.739 4.929 -2.793 1.00 0.07 H new ATOM 0 HB2 HIS A 421 3.184 4.962 -3.195 1.00 0.09 H new ATOM 0 HB3 HIS A 421 2.791 4.769 -1.499 1.00 0.09 H new ATOM 0 HD2 HIS A 421 3.847 2.589 -0.306 1.00 0.13 H new ATOM 0 HE1 HIS A 421 5.548 0.820 -3.739 1.00 0.15 H new ATOM 0 HE2 HIS A 421 5.458 0.703 -1.194 1.00 0.15 H new ATOM 1296 N ASP A 422 1.609 4.302 -5.159 1.00 0.11 N ATOM 1297 CA ASP A 422 1.835 3.937 -6.510 1.00 0.14 C ATOM 1298 C ASP A 422 3.318 3.724 -6.667 1.00 0.19 C ATOM 1299 O ASP A 422 4.119 4.454 -6.091 1.00 0.29 O ATOM 1300 CB ASP A 422 1.342 5.059 -7.404 1.00 0.20 C ATOM 1301 CG ASP A 422 2.421 6.025 -7.822 1.00 0.31 C ATOM 1302 OD1 ASP A 422 2.816 6.871 -6.991 1.00 0.33 O1- ATOM 1303 OD2 ASP A 422 2.871 5.950 -8.980 1.00 0.42 O ATOM 0 H ASP A 422 1.701 5.302 -4.983 1.00 0.11 H new ATOM 0 HA ASP A 422 1.303 3.027 -6.786 1.00 0.14 H new ATOM 0 HB2 ASP A 422 0.889 4.627 -8.296 1.00 0.20 H new ATOM 0 HB3 ASP A 422 0.558 5.608 -6.883 1.00 0.20 H new ATOM 1308 N SER A 423 3.696 2.719 -7.392 1.00 0.15 N ATOM 1309 CA SER A 423 5.095 2.427 -7.511 1.00 0.19 C ATOM 1310 C SER A 423 5.444 2.170 -8.936 1.00 0.15 C ATOM 1311 O SER A 423 5.172 1.117 -9.513 1.00 0.16 O ATOM 1312 CB SER A 423 5.448 1.217 -6.666 1.00 0.26 C ATOM 1313 OG SER A 423 6.801 1.247 -6.282 1.00 1.48 O ATOM 0 H SER A 423 3.071 2.095 -7.903 1.00 0.15 H new ATOM 0 HA SER A 423 5.665 3.286 -7.156 1.00 0.19 H new ATOM 0 HB2 SER A 423 4.815 1.191 -5.779 1.00 0.26 H new ATOM 0 HB3 SER A 423 5.246 0.305 -7.228 1.00 0.26 H new ATOM 0 HG SER A 423 7.018 0.432 -5.783 1.00 1.48 H new ATOM 1319 N ASP A 424 6.047 3.184 -9.486 1.00 0.13 N ATOM 1320 CA ASP A 424 6.456 3.183 -10.859 1.00 0.13 C ATOM 1321 C ASP A 424 7.906 2.743 -11.000 1.00 0.12 C ATOM 1322 O ASP A 424 8.302 2.132 -11.990 1.00 0.15 O ATOM 1323 CB ASP A 424 6.195 4.558 -11.413 1.00 0.15 C ATOM 1324 CG ASP A 424 6.895 4.824 -12.729 1.00 0.25 C ATOM 1325 OD1 ASP A 424 6.463 4.275 -13.761 1.00 0.34 O ATOM 1326 OD2 ASP A 424 7.867 5.605 -12.739 1.00 0.35 O1- ATOM 0 H ASP A 424 6.271 4.045 -8.987 1.00 0.13 H new ATOM 0 HA ASP A 424 5.883 2.458 -11.437 1.00 0.13 H new ATOM 0 HB2 ASP A 424 5.121 4.688 -11.549 1.00 0.15 H new ATOM 0 HB3 ASP A 424 6.516 5.302 -10.683 1.00 0.15 H new ATOM 1331 N TRP A 425 8.695 3.088 -9.973 1.00 0.12 N ATOM 1332 CA TRP A 425 10.096 2.678 -9.869 1.00 0.14 C ATOM 1333 C TRP A 425 10.160 1.177 -9.706 1.00 0.15 C ATOM 1334 O TRP A 425 11.154 0.531 -10.025 1.00 0.18 O ATOM 1335 CB TRP A 425 10.746 3.345 -8.647 1.00 0.14 C ATOM 1336 CG TRP A 425 10.348 2.776 -7.327 1.00 0.12 C ATOM 1337 CD1 TRP A 425 10.853 1.687 -6.695 1.00 0.13 C ATOM 1338 CD2 TRP A 425 9.367 3.316 -6.472 1.00 0.12 C ATOM 1339 NE1 TRP A 425 10.230 1.515 -5.480 1.00 0.13 N ATOM 1340 CE2 TRP A 425 9.310 2.512 -5.326 1.00 0.12 C ATOM 1341 CE3 TRP A 425 8.530 4.409 -6.575 1.00 0.14 C ATOM 1342 CZ2 TRP A 425 8.435 2.777 -4.285 1.00 0.14 C ATOM 1343 CZ3 TRP A 425 7.674 4.679 -5.551 1.00 0.16 C ATOM 1344 CH2 TRP A 425 7.625 3.867 -4.413 1.00 0.15 C ATOM 0 H TRP A 425 8.376 3.660 -9.191 1.00 0.12 H new ATOM 0 HA TRP A 425 10.629 2.980 -10.771 1.00 0.14 H new ATOM 0 HB2 TRP A 425 11.829 3.270 -8.745 1.00 0.14 H new ATOM 0 HB3 TRP A 425 10.498 4.406 -8.657 1.00 0.14 H new ATOM 0 HD1 TRP A 425 11.630 1.048 -7.088 1.00 0.13 H new ATOM 0 HE1 TRP A 425 10.422 0.771 -4.810 1.00 0.13 H new ATOM 0 HE3 TRP A 425 8.554 5.039 -7.452 1.00 0.14 H new ATOM 0 HZ2 TRP A 425 8.396 2.147 -3.409 1.00 0.14 H new ATOM 0 HZ3 TRP A 425 7.021 5.536 -5.619 1.00 0.16 H new ATOM 0 HH2 TRP A 425 6.932 4.108 -3.620 1.00 0.15 H new ATOM 1355 N GLN A 426 9.086 0.666 -9.142 1.00 0.15 N ATOM 1356 CA GLN A 426 8.967 -0.729 -8.773 1.00 0.17 C ATOM 1357 C GLN A 426 7.798 -1.333 -9.479 1.00 0.18 C ATOM 1358 O GLN A 426 6.701 -1.467 -8.950 1.00 0.28 O ATOM 1359 CB GLN A 426 8.736 -0.793 -7.309 1.00 0.18 C ATOM 1360 CG GLN A 426 9.794 -1.538 -6.527 1.00 0.58 C ATOM 1361 CD GLN A 426 9.717 -3.038 -6.702 1.00 0.63 C ATOM 1362 OE1 GLN A 426 10.744 -3.705 -6.696 1.00 1.33 O ATOM 1363 NE2 GLN A 426 8.506 -3.590 -6.843 1.00 0.22 N ATOM 0 H GLN A 426 8.257 1.218 -8.923 1.00 0.15 H new ATOM 0 HA GLN A 426 9.871 -1.273 -9.047 1.00 0.17 H new ATOM 0 HB2 GLN A 426 8.668 0.224 -6.922 1.00 0.18 H new ATOM 0 HB3 GLN A 426 7.771 -1.267 -7.129 1.00 0.18 H new ATOM 0 HG2 GLN A 426 10.779 -1.192 -6.840 1.00 0.58 H new ATOM 0 HG3 GLN A 426 9.693 -1.296 -5.469 1.00 0.58 H new ATOM 0 HE21 GLN A 426 7.674 -3.000 -6.843 1.00 0.22 H new ATOM 0 HE22 GLN A 426 8.415 -4.600 -6.950 1.00 0.22 H new ATOM 1372 N PRO A 427 8.076 -1.701 -10.689 1.00 0.16 N ATOM 1373 CA PRO A 427 7.103 -1.940 -11.717 1.00 0.18 C ATOM 1374 C PRO A 427 6.445 -3.301 -11.653 1.00 0.16 C ATOM 1375 O PRO A 427 5.708 -3.679 -12.567 1.00 0.18 O ATOM 1376 CB PRO A 427 7.977 -1.834 -12.947 1.00 0.23 C ATOM 1377 CG PRO A 427 9.218 -2.466 -12.504 1.00 0.23 C ATOM 1378 CD PRO A 427 9.427 -1.882 -11.172 1.00 0.19 C ATOM 0 HA PRO A 427 6.256 -1.256 -11.661 1.00 0.18 H new ATOM 0 HB2 PRO A 427 7.540 -2.351 -13.802 1.00 0.23 H new ATOM 0 HB3 PRO A 427 8.133 -0.798 -13.247 1.00 0.23 H new ATOM 0 HG2 PRO A 427 9.125 -3.551 -12.459 1.00 0.23 H new ATOM 0 HG3 PRO A 427 10.047 -2.245 -13.177 1.00 0.23 H new ATOM 0 HD2 PRO A 427 10.003 -2.544 -10.525 1.00 0.19 H new ATOM 0 HD3 PRO A 427 9.968 -0.937 -11.224 1.00 0.19 H new ATOM 1386 N GLU A 428 6.722 -4.040 -10.594 1.00 0.14 N ATOM 1387 CA GLU A 428 6.194 -5.378 -10.458 1.00 0.14 C ATOM 1388 C GLU A 428 5.214 -5.469 -9.304 1.00 0.12 C ATOM 1389 O GLU A 428 5.303 -4.716 -8.337 1.00 0.15 O ATOM 1390 CB GLU A 428 7.307 -6.348 -10.193 1.00 0.17 C ATOM 1391 CG GLU A 428 7.001 -7.737 -10.661 1.00 0.22 C ATOM 1392 CD GLU A 428 7.477 -8.018 -12.068 1.00 0.64 C ATOM 1393 OE1 GLU A 428 6.873 -7.487 -13.019 1.00 1.10 O1- ATOM 1394 OE2 GLU A 428 8.458 -8.777 -12.223 1.00 0.98 O ATOM 0 H GLU A 428 7.309 -3.733 -9.818 1.00 0.14 H new ATOM 0 HA GLU A 428 5.684 -5.621 -11.390 1.00 0.14 H new ATOM 0 HB2 GLU A 428 8.213 -5.996 -10.687 1.00 0.17 H new ATOM 0 HB3 GLU A 428 7.515 -6.369 -9.123 1.00 0.17 H new ATOM 0 HG2 GLU A 428 7.464 -8.451 -9.980 1.00 0.22 H new ATOM 0 HG3 GLU A 428 5.924 -7.900 -10.611 1.00 0.22 H new ATOM 1401 N TYR A 429 4.319 -6.439 -9.427 1.00 0.11 N ATOM 1402 CA TYR A 429 3.156 -6.628 -8.554 1.00 0.10 C ATOM 1403 C TYR A 429 2.617 -8.022 -8.755 1.00 0.10 C ATOM 1404 O TYR A 429 2.365 -8.438 -9.886 1.00 0.14 O ATOM 1405 CB TYR A 429 2.023 -5.701 -8.928 1.00 0.13 C ATOM 1406 CG TYR A 429 2.409 -4.459 -9.682 1.00 0.16 C ATOM 1407 CD1 TYR A 429 2.754 -3.297 -9.012 1.00 0.19 C ATOM 1408 CD2 TYR A 429 2.423 -4.454 -11.063 1.00 0.23 C ATOM 1409 CE1 TYR A 429 3.102 -2.158 -9.701 1.00 0.25 C ATOM 1410 CE2 TYR A 429 2.770 -3.318 -11.767 1.00 0.29 C ATOM 1411 CZ TYR A 429 3.133 -2.169 -11.061 1.00 0.30 C ATOM 1412 OH TYR A 429 3.457 -1.036 -11.770 1.00 0.38 O ATOM 0 H TYR A 429 4.380 -7.144 -10.162 1.00 0.11 H new ATOM 0 HA TYR A 429 3.485 -6.438 -7.532 1.00 0.10 H new ATOM 0 HB2 TYR A 429 1.307 -6.260 -9.530 1.00 0.13 H new ATOM 0 HB3 TYR A 429 1.508 -5.402 -8.015 1.00 0.13 H new ATOM 0 HD1 TYR A 429 2.750 -3.285 -7.932 1.00 0.19 H new ATOM 0 HD2 TYR A 429 2.158 -5.353 -11.601 1.00 0.23 H new ATOM 0 HE1 TYR A 429 3.350 -1.256 -9.162 1.00 0.25 H new ATOM 0 HE2 TYR A 429 2.761 -3.318 -12.847 1.00 0.29 H new ATOM 0 HH TYR A 429 3.429 -1.232 -12.730 1.00 0.38 H new ATOM 1422 N GLY A 430 2.484 -8.754 -7.687 1.00 0.10 N ATOM 1423 CA GLY A 430 1.972 -10.087 -7.800 1.00 0.12 C ATOM 1424 C GLY A 430 2.593 -10.978 -6.776 1.00 0.13 C ATOM 1425 O GLY A 430 3.275 -10.473 -5.888 1.00 0.13 O ATOM 0 H GLY A 430 2.719 -8.455 -6.741 1.00 0.10 H new ATOM 0 HA2 GLY A 430 0.889 -10.078 -7.673 1.00 0.12 H new ATOM 0 HA3 GLY A 430 2.173 -10.476 -8.798 1.00 0.12 H new ATOM 1429 N GLY A 431 2.409 -12.294 -6.955 1.00 0.16 N ATOM 1430 CA GLY A 431 3.059 -13.312 -6.129 1.00 0.20 C ATOM 1431 C GLY A 431 4.397 -12.871 -5.581 1.00 0.17 C ATOM 1432 O GLY A 431 5.130 -12.157 -6.263 1.00 0.16 O ATOM 0 H GLY A 431 1.803 -12.679 -7.679 1.00 0.16 H new ATOM 0 HA2 GLY A 431 2.402 -13.571 -5.299 1.00 0.20 H new ATOM 0 HA3 GLY A 431 3.197 -14.217 -6.721 1.00 0.20 H new ATOM 1436 N ASP A 432 4.781 -13.415 -4.429 1.00 0.18 N ATOM 1437 CA ASP A 432 5.675 -12.725 -3.512 1.00 0.18 C ATOM 1438 C ASP A 432 6.914 -12.248 -4.194 1.00 0.18 C ATOM 1439 O ASP A 432 7.882 -12.965 -4.435 1.00 0.19 O ATOM 1440 CB ASP A 432 6.124 -13.662 -2.393 1.00 0.22 C ATOM 1441 CG ASP A 432 5.034 -14.546 -1.827 1.00 0.25 C ATOM 1442 OD1 ASP A 432 4.546 -15.444 -2.549 1.00 0.29 O ATOM 1443 OD2 ASP A 432 4.693 -14.377 -0.641 1.00 0.33 O1- ATOM 0 H ASP A 432 4.483 -14.337 -4.110 1.00 0.18 H new ATOM 0 HA ASP A 432 5.113 -11.877 -3.121 1.00 0.18 H new ATOM 0 HB2 ASP A 432 6.927 -14.296 -2.770 1.00 0.22 H new ATOM 0 HB3 ASP A 432 6.543 -13.064 -1.584 1.00 0.22 H new ATOM 1448 N LEU A 433 6.823 -10.981 -4.464 1.00 0.16 N ATOM 1449 CA LEU A 433 7.863 -10.193 -5.015 1.00 0.15 C ATOM 1450 C LEU A 433 8.540 -9.476 -3.894 1.00 0.14 C ATOM 1451 O LEU A 433 9.727 -9.206 -3.963 1.00 0.15 O ATOM 1452 CB LEU A 433 7.201 -9.258 -5.979 1.00 0.14 C ATOM 1453 CG LEU A 433 6.797 -9.927 -7.276 1.00 0.15 C ATOM 1454 CD1 LEU A 433 5.821 -9.058 -8.028 1.00 0.13 C ATOM 1455 CD2 LEU A 433 8.030 -10.233 -8.103 1.00 0.18 C ATOM 0 H LEU A 433 5.970 -10.448 -4.293 1.00 0.16 H new ATOM 0 HA LEU A 433 8.625 -10.771 -5.538 1.00 0.15 H new ATOM 0 HB2 LEU A 433 6.317 -8.828 -5.509 1.00 0.14 H new ATOM 0 HB3 LEU A 433 7.879 -8.433 -6.199 1.00 0.14 H new ATOM 0 HG LEU A 433 6.297 -10.871 -7.059 1.00 0.15 H new ATOM 0 HD11 LEU A 433 5.538 -9.550 -8.959 1.00 0.13 H new ATOM 0 HD12 LEU A 433 4.932 -8.897 -7.418 1.00 0.13 H new ATOM 0 HD13 LEU A 433 6.286 -8.098 -8.252 1.00 0.13 H new ATOM 0 HD21 LEU A 433 7.733 -10.714 -9.035 1.00 0.18 H new ATOM 0 HD22 LEU A 433 8.558 -9.306 -8.326 1.00 0.18 H new ATOM 0 HD23 LEU A 433 8.687 -10.899 -7.544 1.00 0.18 H new ATOM 1467 N TRP A 434 7.769 -9.151 -2.877 1.00 0.14 N ATOM 1468 CA TRP A 434 8.255 -8.343 -1.776 1.00 0.14 C ATOM 1469 C TRP A 434 9.612 -8.821 -1.295 1.00 0.17 C ATOM 1470 O TRP A 434 10.516 -8.020 -1.059 1.00 0.22 O ATOM 1471 CB TRP A 434 7.227 -8.294 -0.638 1.00 0.15 C ATOM 1472 CG TRP A 434 6.607 -9.613 -0.255 1.00 0.16 C ATOM 1473 CD1 TRP A 434 5.735 -10.364 -0.990 1.00 0.17 C ATOM 1474 CD2 TRP A 434 6.762 -10.298 0.993 1.00 0.16 C ATOM 1475 NE1 TRP A 434 5.383 -11.493 -0.289 1.00 0.18 N ATOM 1476 CE2 TRP A 434 5.997 -11.468 0.931 1.00 0.18 C ATOM 1477 CE3 TRP A 434 7.485 -10.043 2.150 1.00 0.17 C ATOM 1478 CZ2 TRP A 434 5.942 -12.373 1.985 1.00 0.19 C ATOM 1479 CZ3 TRP A 434 7.429 -10.933 3.197 1.00 0.19 C ATOM 1480 CH2 TRP A 434 6.663 -12.087 3.109 1.00 0.19 C ATOM 0 H TRP A 434 6.794 -9.437 -2.789 1.00 0.14 H new ATOM 0 HA TRP A 434 8.389 -7.324 -2.139 1.00 0.14 H new ATOM 0 HB2 TRP A 434 7.709 -7.871 0.243 1.00 0.15 H new ATOM 0 HB3 TRP A 434 6.429 -7.609 -0.924 1.00 0.15 H new ATOM 0 HD1 TRP A 434 5.375 -10.109 -1.976 1.00 0.17 H new ATOM 0 HE1 TRP A 434 4.764 -12.230 -0.625 1.00 0.18 H new ATOM 0 HE3 TRP A 434 8.088 -9.151 2.228 1.00 0.17 H new ATOM 0 HZ2 TRP A 434 5.349 -13.273 1.917 1.00 0.19 H new ATOM 0 HZ3 TRP A 434 7.988 -10.731 4.099 1.00 0.19 H new ATOM 0 HH2 TRP A 434 6.637 -12.771 3.944 1.00 0.19 H new ATOM 1491 N LYS A 435 9.765 -10.137 -1.283 1.00 0.17 N ATOM 1492 CA LYS A 435 10.954 -10.790 -0.792 1.00 0.19 C ATOM 1493 C LYS A 435 12.198 -10.378 -1.529 1.00 0.20 C ATOM 1494 O LYS A 435 13.299 -10.426 -0.987 1.00 0.22 O ATOM 1495 CB LYS A 435 10.776 -12.261 -0.927 1.00 0.20 C ATOM 1496 CG LYS A 435 9.680 -12.729 -0.053 1.00 0.22 C ATOM 1497 CD LYS A 435 9.558 -14.202 -0.108 1.00 0.26 C ATOM 1498 CE LYS A 435 8.274 -14.587 0.521 1.00 0.35 C ATOM 1499 NZ LYS A 435 8.399 -15.764 1.418 1.00 0.64 N1+ ATOM 0 H LYS A 435 9.052 -10.784 -1.620 1.00 0.17 H new ATOM 0 HA LYS A 435 11.086 -10.494 0.249 1.00 0.19 H new ATOM 0 HB2 LYS A 435 10.556 -12.514 -1.964 1.00 0.20 H new ATOM 0 HB3 LYS A 435 11.703 -12.772 -0.664 1.00 0.20 H new ATOM 0 HG2 LYS A 435 9.867 -12.413 0.973 1.00 0.22 H new ATOM 0 HG3 LYS A 435 8.741 -12.270 -0.362 1.00 0.22 H new ATOM 0 HD2 LYS A 435 9.593 -14.547 -1.141 1.00 0.26 H new ATOM 0 HD3 LYS A 435 10.392 -14.672 0.414 1.00 0.26 H new ATOM 0 HE2 LYS A 435 7.887 -13.742 1.091 1.00 0.35 H new ATOM 0 HE3 LYS A 435 7.545 -14.807 -0.259 1.00 0.35 H new ATOM 0 HZ1 LYS A 435 7.470 -15.987 1.829 1.00 0.64 H new ATOM 0 HZ2 LYS A 435 8.742 -16.581 0.873 1.00 0.64 H new ATOM 0 HZ3 LYS A 435 9.073 -15.549 2.181 1.00 0.64 H new ATOM 1513 N THR A 436 12.014 -9.978 -2.755 1.00 0.19 N ATOM 1514 CA THR A 436 13.120 -9.618 -3.593 1.00 0.21 C ATOM 1515 C THR A 436 13.098 -8.121 -3.863 1.00 0.19 C ATOM 1516 O THR A 436 14.135 -7.454 -3.925 1.00 0.23 O ATOM 1517 CB THR A 436 13.036 -10.390 -4.919 1.00 0.22 C ATOM 1518 OG1 THR A 436 11.904 -9.950 -5.684 1.00 0.21 O ATOM 1519 CG2 THR A 436 12.888 -11.867 -4.633 1.00 0.25 C ATOM 0 H THR A 436 11.099 -9.893 -3.199 1.00 0.19 H new ATOM 0 HA THR A 436 14.052 -9.873 -3.088 1.00 0.21 H new ATOM 0 HB THR A 436 13.947 -10.206 -5.488 1.00 0.22 H new ATOM 0 HG1 THR A 436 11.154 -9.764 -5.081 1.00 0.21 H new ATOM 0 HG21 THR A 436 12.828 -12.415 -5.573 1.00 0.25 H new ATOM 0 HG22 THR A 436 13.750 -12.215 -4.064 1.00 0.25 H new ATOM 0 HG23 THR A 436 11.979 -12.037 -4.056 1.00 0.25 H new ATOM 1527 N ARG A 437 11.883 -7.602 -3.978 1.00 0.16 N ATOM 1528 CA ARG A 437 11.660 -6.256 -4.467 1.00 0.15 C ATOM 1529 C ARG A 437 11.733 -5.214 -3.365 1.00 0.17 C ATOM 1530 O ARG A 437 11.847 -4.018 -3.630 1.00 0.20 O ATOM 1531 CB ARG A 437 10.318 -6.224 -5.149 1.00 0.14 C ATOM 1532 CG ARG A 437 10.177 -7.282 -6.194 1.00 0.15 C ATOM 1533 CD ARG A 437 9.409 -6.787 -7.395 1.00 0.17 C ATOM 1534 NE ARG A 437 10.163 -5.786 -8.142 1.00 0.23 N ATOM 1535 CZ ARG A 437 10.648 -5.965 -9.371 1.00 0.30 C ATOM 1536 NH1 ARG A 437 10.490 -7.128 -9.996 1.00 0.34 N1+ ATOM 1537 NH2 ARG A 437 11.314 -4.986 -9.967 1.00 0.36 N ATOM 0 H ARG A 437 11.029 -8.104 -3.735 1.00 0.16 H new ATOM 0 HA ARG A 437 12.454 -6.001 -5.169 1.00 0.15 H new ATOM 0 HB2 ARG A 437 9.533 -6.349 -4.403 1.00 0.14 H new ATOM 0 HB3 ARG A 437 10.171 -5.246 -5.606 1.00 0.14 H new ATOM 0 HG2 ARG A 437 11.166 -7.616 -6.508 1.00 0.15 H new ATOM 0 HG3 ARG A 437 9.668 -8.147 -5.769 1.00 0.15 H new ATOM 0 HD2 ARG A 437 9.173 -7.627 -8.048 1.00 0.17 H new ATOM 0 HD3 ARG A 437 8.460 -6.360 -7.070 1.00 0.17 H new ATOM 0 HE ARG A 437 10.331 -4.886 -7.692 1.00 0.23 H new ATOM 0 HH11 ARG A 437 9.995 -7.891 -9.535 1.00 0.34 H new ATOM 0 HH12 ARG A 437 10.864 -7.257 -10.936 1.00 0.34 H new ATOM 0 HH21 ARG A 437 11.455 -4.098 -9.485 1.00 0.36 H new ATOM 0 HH22 ARG A 437 11.686 -5.121 -10.907 1.00 0.36 H new ATOM 1551 N GLY A 438 11.662 -5.677 -2.138 1.00 0.16 N ATOM 1552 CA GLY A 438 12.155 -4.883 -1.022 1.00 0.17 C ATOM 1553 C GLY A 438 11.292 -3.702 -0.590 1.00 0.17 C ATOM 1554 O GLY A 438 11.829 -2.641 -0.275 1.00 0.21 O ATOM 0 H GLY A 438 11.275 -6.585 -1.883 1.00 0.16 H new ATOM 0 HA2 GLY A 438 12.283 -5.543 -0.164 1.00 0.17 H new ATOM 0 HA3 GLY A 438 13.143 -4.505 -1.283 1.00 0.17 H new ATOM 1558 N SER A 439 9.976 -3.870 -0.536 1.00 0.15 N ATOM 1559 CA SER A 439 9.105 -2.806 -0.039 1.00 0.16 C ATOM 1560 C SER A 439 8.906 -2.984 1.475 1.00 0.14 C ATOM 1561 O SER A 439 8.616 -4.070 1.932 1.00 0.20 O ATOM 1562 CB SER A 439 7.768 -2.878 -0.772 1.00 0.22 C ATOM 1563 OG SER A 439 7.299 -4.213 -0.847 1.00 0.47 O ATOM 0 H SER A 439 9.491 -4.720 -0.825 1.00 0.15 H new ATOM 0 HA SER A 439 9.554 -1.829 -0.220 1.00 0.16 H new ATOM 0 HB2 SER A 439 7.033 -2.260 -0.256 1.00 0.22 H new ATOM 0 HB3 SER A 439 7.878 -2.471 -1.777 1.00 0.22 H new ATOM 0 HG SER A 439 7.525 -4.686 -0.019 1.00 0.47 H new ATOM 1569 N HIS A 440 9.068 -1.920 2.254 1.00 0.14 N ATOM 1570 CA HIS A 440 9.175 -2.043 3.715 1.00 0.16 C ATOM 1571 C HIS A 440 7.852 -1.751 4.387 1.00 0.16 C ATOM 1572 O HIS A 440 7.704 -0.739 5.067 1.00 0.21 O ATOM 1573 CB HIS A 440 10.212 -1.078 4.291 1.00 0.22 C ATOM 1574 CG HIS A 440 11.595 -1.273 3.810 1.00 0.26 C ATOM 1575 ND1 HIS A 440 12.021 -0.828 2.589 1.00 0.33 N ATOM 1576 CD2 HIS A 440 12.676 -1.810 4.419 1.00 0.30 C ATOM 1577 CE1 HIS A 440 13.297 -1.074 2.464 1.00 0.41 C ATOM 1578 NE2 HIS A 440 13.725 -1.671 3.556 1.00 0.38 N ATOM 0 H HIS A 440 9.129 -0.963 1.906 1.00 0.14 H new ATOM 0 HA HIS A 440 9.480 -3.071 3.911 1.00 0.16 H new ATOM 0 HB2 HIS A 440 9.904 -0.059 4.057 1.00 0.22 H new ATOM 0 HB3 HIS A 440 10.207 -1.171 5.377 1.00 0.22 H new ATOM 0 HD2 HIS A 440 12.704 -2.262 5.399 1.00 0.30 H new ATOM 0 HE1 HIS A 440 13.903 -0.828 1.604 1.00 0.41 H new ATOM 0 HE2 HIS A 440 14.682 -1.979 3.729 1.00 0.38 H new ATOM 1587 N GLY A 441 6.901 -2.641 4.194 1.00 0.15 N ATOM 1588 CA GLY A 441 5.600 -2.469 4.789 1.00 0.16 C ATOM 1589 C GLY A 441 4.711 -1.668 3.881 1.00 0.15 C ATOM 1590 O GLY A 441 3.506 -1.593 4.070 1.00 0.18 O ATOM 0 H GLY A 441 7.007 -3.486 3.632 1.00 0.15 H new ATOM 0 HA2 GLY A 441 5.150 -3.443 4.983 1.00 0.16 H new ATOM 0 HA3 GLY A 441 5.697 -1.965 5.751 1.00 0.16 H new ATOM 1594 N CYS A 442 5.321 -1.083 2.875 1.00 0.14 N ATOM 1595 CA CYS A 442 4.601 -0.289 1.914 1.00 0.16 C ATOM 1596 C CYS A 442 4.067 -1.177 0.806 1.00 0.18 C ATOM 1597 O CYS A 442 4.724 -2.139 0.395 1.00 0.28 O ATOM 1598 CB CYS A 442 5.496 0.812 1.361 1.00 0.20 C ATOM 1599 SG CYS A 442 7.058 0.223 0.667 1.00 0.83 S ATOM 0 H CYS A 442 6.324 -1.145 2.703 1.00 0.14 H new ATOM 0 HA CYS A 442 3.753 0.188 2.405 1.00 0.16 H new ATOM 0 HB2 CYS A 442 4.950 1.354 0.589 1.00 0.20 H new ATOM 0 HB3 CYS A 442 5.711 1.524 2.158 1.00 0.20 H new ATOM 0 HG CYS A 442 7.744 1.234 0.223 1.00 0.83 H new ATOM 1605 N ILE A 443 2.867 -0.884 0.352 1.00 0.13 N ATOM 1606 CA ILE A 443 2.218 -1.695 -0.647 1.00 0.12 C ATOM 1607 C ILE A 443 2.445 -1.125 -2.033 1.00 0.12 C ATOM 1608 O ILE A 443 2.059 0.003 -2.339 1.00 0.15 O ATOM 1609 CB ILE A 443 0.713 -1.858 -0.345 1.00 0.11 C ATOM 1610 CG1 ILE A 443 0.514 -2.892 0.773 1.00 0.10 C ATOM 1611 CG2 ILE A 443 -0.043 -2.274 -1.604 1.00 0.10 C ATOM 1612 CD1 ILE A 443 1.276 -2.623 2.045 1.00 0.10 C ATOM 0 H ILE A 443 2.320 -0.082 0.665 1.00 0.13 H new ATOM 0 HA ILE A 443 2.665 -2.689 -0.616 1.00 0.12 H new ATOM 0 HB ILE A 443 0.314 -0.900 -0.011 1.00 0.11 H new ATOM 0 HG12 ILE A 443 -0.549 -2.946 1.010 1.00 0.10 H new ATOM 0 HG13 ILE A 443 0.806 -3.872 0.395 1.00 0.10 H new ATOM 0 HG21 ILE A 443 -1.102 -2.384 -1.373 1.00 0.10 H new ATOM 0 HG22 ILE A 443 0.083 -1.512 -2.373 1.00 0.10 H new ATOM 0 HG23 ILE A 443 0.350 -3.224 -1.967 1.00 0.10 H new ATOM 0 HD11 ILE A 443 1.066 -3.411 2.768 1.00 0.10 H new ATOM 0 HD12 ILE A 443 2.345 -2.602 1.831 1.00 0.10 H new ATOM 0 HD13 ILE A 443 0.969 -1.661 2.456 1.00 0.10 H new ATOM 1624 N ASN A 444 3.106 -1.919 -2.848 1.00 0.14 N ATOM 1625 CA ASN A 444 3.480 -1.519 -4.188 1.00 0.16 C ATOM 1626 C ASN A 444 2.286 -1.578 -5.140 1.00 0.11 C ATOM 1627 O ASN A 444 2.123 -2.559 -5.865 1.00 0.12 O ATOM 1628 CB ASN A 444 4.598 -2.432 -4.692 1.00 0.30 C ATOM 1629 CG ASN A 444 5.437 -1.835 -5.779 1.00 0.88 C ATOM 1630 OD1 ASN A 444 6.499 -1.285 -5.511 1.00 1.56 O ATOM 1631 ND2 ASN A 444 4.976 -1.949 -7.010 1.00 1.77 N ATOM 0 H ASN A 444 3.400 -2.863 -2.599 1.00 0.14 H new ATOM 0 HA ASN A 444 3.829 -0.487 -4.158 1.00 0.16 H new ATOM 0 HB2 ASN A 444 5.243 -2.694 -3.853 1.00 0.30 H new ATOM 0 HB3 ASN A 444 4.157 -3.360 -5.057 1.00 0.30 H new ATOM 0 HD21 ASN A 444 5.510 -1.570 -7.792 1.00 1.77 H new ATOM 0 HD22 ASN A 444 4.085 -2.416 -7.180 1.00 1.77 H new ATOM 1638 N THR A 445 1.462 -0.541 -5.147 1.00 0.11 N ATOM 1639 CA THR A 445 0.329 -0.473 -6.044 1.00 0.10 C ATOM 1640 C THR A 445 0.763 0.123 -7.368 1.00 0.11 C ATOM 1641 O THR A 445 1.584 1.036 -7.424 1.00 0.14 O ATOM 1642 CB THR A 445 -0.787 0.365 -5.399 1.00 0.11 C ATOM 1643 OG1 THR A 445 -1.051 -0.143 -4.089 1.00 0.18 O ATOM 1644 CG2 THR A 445 -2.053 0.331 -6.228 1.00 0.14 C ATOM 0 H THR A 445 1.562 0.269 -4.535 1.00 0.11 H new ATOM 0 HA THR A 445 -0.057 -1.475 -6.230 1.00 0.10 H new ATOM 0 HB THR A 445 -0.455 1.402 -5.342 1.00 0.11 H new ATOM 0 HG1 THR A 445 -2.018 -0.161 -3.934 1.00 0.18 H new ATOM 0 HG21 THR A 445 -2.821 0.933 -5.744 1.00 0.14 H new ATOM 0 HG22 THR A 445 -1.849 0.733 -7.220 1.00 0.14 H new ATOM 0 HG23 THR A 445 -2.402 -0.698 -6.318 1.00 0.14 H new ATOM 1652 N PRO A 446 0.262 -0.445 -8.458 1.00 0.09 N ATOM 1653 CA PRO A 446 0.553 0.035 -9.794 1.00 0.08 C ATOM 1654 C PRO A 446 0.148 1.476 -9.961 1.00 0.09 C ATOM 1655 O PRO A 446 -0.939 1.866 -9.570 1.00 0.12 O ATOM 1656 CB PRO A 446 -0.294 -0.845 -10.685 1.00 0.09 C ATOM 1657 CG PRO A 446 -0.523 -2.070 -9.881 1.00 0.10 C ATOM 1658 CD PRO A 446 -0.622 -1.608 -8.475 1.00 0.09 C ATOM 0 HA PRO A 446 1.618 -0.010 -10.023 1.00 0.08 H new ATOM 0 HB2 PRO A 446 -1.234 -0.359 -10.946 1.00 0.09 H new ATOM 0 HB3 PRO A 446 0.217 -1.073 -11.620 1.00 0.09 H new ATOM 0 HG2 PRO A 446 -1.435 -2.579 -10.192 1.00 0.10 H new ATOM 0 HG3 PRO A 446 0.295 -2.779 -10.004 1.00 0.10 H new ATOM 0 HD2 PRO A 446 -1.645 -1.344 -8.206 1.00 0.09 H new ATOM 0 HD3 PRO A 446 -0.296 -2.375 -7.772 1.00 0.09 H new ATOM 1666 N PRO A 447 1.019 2.269 -10.573 1.00 0.09 N ATOM 1667 CA PRO A 447 0.856 3.723 -10.718 1.00 0.09 C ATOM 1668 C PRO A 447 -0.450 4.101 -11.355 1.00 0.09 C ATOM 1669 O PRO A 447 -1.068 5.111 -11.016 1.00 0.16 O ATOM 1670 CB PRO A 447 2.020 4.059 -11.637 1.00 0.10 C ATOM 1671 CG PRO A 447 3.036 3.100 -11.175 1.00 0.10 C ATOM 1672 CD PRO A 447 2.263 1.824 -11.206 1.00 0.09 C ATOM 0 HA PRO A 447 0.849 4.252 -9.765 1.00 0.09 H new ATOM 0 HB2 PRO A 447 1.768 3.917 -12.688 1.00 0.10 H new ATOM 0 HB3 PRO A 447 2.348 5.092 -11.524 1.00 0.10 H new ATOM 0 HG2 PRO A 447 3.905 3.071 -11.833 1.00 0.10 H new ATOM 0 HG3 PRO A 447 3.401 3.336 -10.175 1.00 0.10 H new ATOM 0 HD2 PRO A 447 2.107 1.455 -12.220 1.00 0.09 H new ATOM 0 HD3 PRO A 447 2.753 1.026 -10.648 1.00 0.09 H new ATOM 1680 N SER A 448 -0.876 3.258 -12.255 1.00 0.08 N ATOM 1681 CA SER A 448 -2.083 3.495 -12.982 1.00 0.09 C ATOM 1682 C SER A 448 -3.287 3.132 -12.127 1.00 0.09 C ATOM 1683 O SER A 448 -4.278 3.854 -12.093 1.00 0.11 O ATOM 1684 CB SER A 448 -2.088 2.680 -14.263 1.00 0.11 C ATOM 1685 OG SER A 448 -0.960 2.987 -15.066 1.00 1.17 O ATOM 0 H SER A 448 -0.396 2.393 -12.501 1.00 0.08 H new ATOM 0 HA SER A 448 -2.139 4.553 -13.238 1.00 0.09 H new ATOM 0 HB2 SER A 448 -2.088 1.617 -14.022 1.00 0.11 H new ATOM 0 HB3 SER A 448 -3.002 2.880 -14.822 1.00 0.11 H new ATOM 0 HG SER A 448 -0.985 2.448 -15.884 1.00 1.17 H new ATOM 1691 N VAL A 449 -3.180 2.024 -11.412 1.00 0.08 N ATOM 1692 CA VAL A 449 -4.269 1.565 -10.568 1.00 0.09 C ATOM 1693 C VAL A 449 -4.319 2.338 -9.247 1.00 0.10 C ATOM 1694 O VAL A 449 -5.380 2.519 -8.654 1.00 0.11 O ATOM 1695 CB VAL A 449 -4.145 0.066 -10.288 1.00 0.11 C ATOM 1696 CG1 VAL A 449 -5.317 -0.410 -9.449 1.00 0.17 C ATOM 1697 CG2 VAL A 449 -4.060 -0.721 -11.585 1.00 0.10 C ATOM 0 H VAL A 449 -2.352 1.428 -11.400 1.00 0.08 H new ATOM 0 HA VAL A 449 -5.197 1.750 -11.108 1.00 0.09 H new ATOM 0 HB VAL A 449 -3.225 -0.105 -9.729 1.00 0.11 H new ATOM 0 HG11 VAL A 449 -5.217 -1.478 -9.257 1.00 0.17 H new ATOM 0 HG12 VAL A 449 -5.329 0.129 -8.502 1.00 0.17 H new ATOM 0 HG13 VAL A 449 -6.248 -0.224 -9.985 1.00 0.17 H new ATOM 0 HG21 VAL A 449 -3.972 -1.784 -11.360 1.00 0.10 H new ATOM 0 HG22 VAL A 449 -4.960 -0.548 -12.175 1.00 0.10 H new ATOM 0 HG23 VAL A 449 -3.187 -0.397 -12.151 1.00 0.10 H new ATOM 1707 N MET A 450 -3.177 2.818 -8.799 1.00 0.10 N ATOM 1708 CA MET A 450 -3.088 3.608 -7.599 1.00 0.11 C ATOM 1709 C MET A 450 -3.762 4.955 -7.809 1.00 0.10 C ATOM 1710 O MET A 450 -4.099 5.652 -6.877 1.00 0.14 O ATOM 1711 CB MET A 450 -1.623 3.763 -7.281 1.00 0.13 C ATOM 1712 CG MET A 450 -1.375 4.479 -6.005 1.00 0.13 C ATOM 1713 SD MET A 450 -2.487 3.975 -4.706 1.00 0.46 S ATOM 1714 CE MET A 450 -2.467 5.482 -3.764 1.00 0.10 C ATOM 0 H MET A 450 -2.282 2.667 -9.264 1.00 0.10 H new ATOM 0 HA MET A 450 -3.600 3.126 -6.766 1.00 0.11 H new ATOM 0 HB2 MET A 450 -1.162 2.777 -7.232 1.00 0.13 H new ATOM 0 HB3 MET A 450 -1.136 4.303 -8.094 1.00 0.13 H new ATOM 0 HG2 MET A 450 -0.348 4.302 -5.687 1.00 0.13 H new ATOM 0 HG3 MET A 450 -1.477 5.552 -6.169 1.00 0.13 H new ATOM 0 HE1 MET A 450 -3.410 5.588 -3.227 1.00 0.10 H new ATOM 0 HE2 MET A 450 -1.644 5.454 -3.050 1.00 0.10 H new ATOM 0 HE3 MET A 450 -2.335 6.330 -4.436 1.00 0.10 H new ATOM 1724 N LYS A 451 -3.934 5.294 -9.071 1.00 0.11 N ATOM 1725 CA LYS A 451 -4.605 6.500 -9.506 1.00 0.11 C ATOM 1726 C LYS A 451 -6.097 6.331 -9.454 1.00 0.10 C ATOM 1727 O LYS A 451 -6.867 7.285 -9.431 1.00 0.14 O ATOM 1728 CB LYS A 451 -4.171 6.701 -10.924 1.00 0.14 C ATOM 1729 CG LYS A 451 -4.297 8.108 -11.396 1.00 0.22 C ATOM 1730 CD LYS A 451 -3.228 8.458 -12.389 1.00 0.68 C ATOM 1731 CE LYS A 451 -2.942 7.286 -13.266 1.00 0.63 C ATOM 1732 NZ LYS A 451 -2.573 7.675 -14.651 1.00 0.81 N1+ ATOM 0 H LYS A 451 -3.600 4.719 -9.845 1.00 0.11 H new ATOM 0 HA LYS A 451 -4.355 7.347 -8.867 1.00 0.11 H new ATOM 0 HB2 LYS A 451 -3.133 6.385 -11.025 1.00 0.14 H new ATOM 0 HB3 LYS A 451 -4.765 6.056 -11.571 1.00 0.14 H new ATOM 0 HG2 LYS A 451 -5.277 8.253 -11.850 1.00 0.22 H new ATOM 0 HG3 LYS A 451 -4.237 8.785 -10.543 1.00 0.22 H new ATOM 0 HD2 LYS A 451 -3.547 9.306 -12.995 1.00 0.68 H new ATOM 0 HD3 LYS A 451 -2.321 8.762 -11.867 1.00 0.68 H new ATOM 0 HE2 LYS A 451 -2.131 6.702 -12.830 1.00 0.63 H new ATOM 0 HE3 LYS A 451 -3.819 6.640 -13.297 1.00 0.63 H new ATOM 0 HZ1 LYS A 451 -2.386 6.820 -15.213 1.00 0.81 H new ATOM 0 HZ2 LYS A 451 -3.355 8.209 -15.082 1.00 0.81 H new ATOM 0 HZ3 LYS A 451 -1.719 8.269 -14.629 1.00 0.81 H new ATOM 1746 N GLU A 452 -6.465 5.080 -9.492 1.00 0.09 N ATOM 1747 CA GLU A 452 -7.826 4.654 -9.400 1.00 0.08 C ATOM 1748 C GLU A 452 -8.192 4.656 -7.974 1.00 0.07 C ATOM 1749 O GLU A 452 -9.241 5.127 -7.568 1.00 0.08 O ATOM 1750 CB GLU A 452 -7.914 3.246 -9.928 1.00 0.08 C ATOM 1751 CG GLU A 452 -7.311 3.083 -11.284 1.00 0.09 C ATOM 1752 CD GLU A 452 -8.242 3.506 -12.394 1.00 0.13 C ATOM 1753 OE1 GLU A 452 -8.286 4.711 -12.709 1.00 0.31 O1- ATOM 1754 OE2 GLU A 452 -8.935 2.634 -12.960 1.00 0.38 O ATOM 0 H GLU A 452 -5.804 4.310 -9.591 1.00 0.09 H new ATOM 0 HA GLU A 452 -8.489 5.306 -9.969 1.00 0.08 H new ATOM 0 HB2 GLU A 452 -7.413 2.573 -9.232 1.00 0.08 H new ATOM 0 HB3 GLU A 452 -8.961 2.944 -9.965 1.00 0.08 H new ATOM 0 HG2 GLU A 452 -6.394 3.670 -11.342 1.00 0.09 H new ATOM 0 HG3 GLU A 452 -7.031 2.040 -11.429 1.00 0.09 H new ATOM 1761 N LEU A 453 -7.289 4.069 -7.240 1.00 0.06 N ATOM 1762 CA LEU A 453 -7.351 4.015 -5.840 1.00 0.05 C ATOM 1763 C LEU A 453 -7.253 5.371 -5.214 1.00 0.05 C ATOM 1764 O LEU A 453 -8.180 5.822 -4.599 1.00 0.05 O ATOM 1765 CB LEU A 453 -6.205 3.239 -5.316 1.00 0.05 C ATOM 1766 CG LEU A 453 -6.332 2.905 -3.872 1.00 0.05 C ATOM 1767 CD1 LEU A 453 -7.500 1.985 -3.674 1.00 0.06 C ATOM 1768 CD2 LEU A 453 -5.052 2.302 -3.368 1.00 0.06 C ATOM 0 H LEU A 453 -6.469 3.605 -7.631 1.00 0.06 H new ATOM 0 HA LEU A 453 -8.310 3.559 -5.595 1.00 0.05 H new ATOM 0 HB2 LEU A 453 -6.108 2.316 -5.888 1.00 0.05 H new ATOM 0 HB3 LEU A 453 -5.288 3.808 -5.471 1.00 0.05 H new ATOM 0 HG LEU A 453 -6.514 3.812 -3.295 1.00 0.05 H new ATOM 0 HD11 LEU A 453 -7.594 1.739 -2.616 1.00 0.06 H new ATOM 0 HD12 LEU A 453 -8.412 2.476 -4.015 1.00 0.06 H new ATOM 0 HD13 LEU A 453 -7.344 1.071 -4.246 1.00 0.06 H new ATOM 0 HD21 LEU A 453 -5.155 2.061 -2.310 1.00 0.06 H new ATOM 0 HD22 LEU A 453 -4.833 1.393 -3.928 1.00 0.06 H new ATOM 0 HD23 LEU A 453 -4.238 3.014 -3.500 1.00 0.06 H new ATOM 1780 N PHE A 454 -6.105 6.008 -5.334 1.00 0.07 N ATOM 1781 CA PHE A 454 -5.939 7.350 -4.811 1.00 0.08 C ATOM 1782 C PHE A 454 -7.100 8.201 -5.303 1.00 0.09 C ATOM 1783 O PHE A 454 -7.522 9.183 -4.692 1.00 0.10 O ATOM 1784 CB PHE A 454 -4.628 7.972 -5.285 1.00 0.13 C ATOM 1785 CG PHE A 454 -4.233 9.189 -4.501 1.00 0.17 C ATOM 1786 CD1 PHE A 454 -3.611 9.052 -3.274 1.00 0.19 C ATOM 1787 CD2 PHE A 454 -4.490 10.462 -4.982 1.00 0.25 C ATOM 1788 CE1 PHE A 454 -3.249 10.158 -2.536 1.00 0.25 C ATOM 1789 CE2 PHE A 454 -4.128 11.575 -4.250 1.00 0.31 C ATOM 1790 CZ PHE A 454 -3.509 11.422 -3.025 1.00 0.29 C ATOM 0 H PHE A 454 -5.277 5.621 -5.787 1.00 0.07 H new ATOM 0 HA PHE A 454 -5.918 7.305 -3.722 1.00 0.08 H new ATOM 0 HB2 PHE A 454 -3.834 7.229 -5.214 1.00 0.13 H new ATOM 0 HB3 PHE A 454 -4.720 8.240 -6.337 1.00 0.13 H new ATOM 0 HD1 PHE A 454 -3.406 8.064 -2.888 1.00 0.19 H new ATOM 0 HD2 PHE A 454 -4.978 10.585 -5.938 1.00 0.25 H new ATOM 0 HE1 PHE A 454 -2.764 10.036 -1.579 1.00 0.25 H new ATOM 0 HE2 PHE A 454 -4.329 12.564 -4.635 1.00 0.31 H new ATOM 0 HZ PHE A 454 -3.228 12.292 -2.450 1.00 0.29 H new ATOM 1800 N GLY A 455 -7.601 7.754 -6.451 1.00 0.09 N ATOM 1801 CA GLY A 455 -8.703 8.378 -7.108 1.00 0.11 C ATOM 1802 C GLY A 455 -10.023 8.147 -6.374 1.00 0.10 C ATOM 1803 O GLY A 455 -10.919 8.985 -6.437 1.00 0.13 O ATOM 0 H GLY A 455 -7.236 6.938 -6.942 1.00 0.09 H new ATOM 0 HA2 GLY A 455 -8.517 9.449 -7.187 1.00 0.11 H new ATOM 0 HA3 GLY A 455 -8.783 7.992 -8.124 1.00 0.11 H new ATOM 1807 N MET A 456 -10.152 6.994 -5.696 1.00 0.08 N ATOM 1808 CA MET A 456 -11.297 6.722 -4.825 1.00 0.09 C ATOM 1809 C MET A 456 -11.045 7.200 -3.406 1.00 0.10 C ATOM 1810 O MET A 456 -11.870 7.882 -2.797 1.00 0.13 O ATOM 1811 CB MET A 456 -11.597 5.219 -4.756 1.00 0.08 C ATOM 1812 CG MET A 456 -10.433 4.325 -5.032 1.00 0.06 C ATOM 1813 SD MET A 456 -10.899 2.668 -5.526 1.00 0.06 S ATOM 1814 CE MET A 456 -11.611 3.005 -7.110 1.00 0.07 C ATOM 0 H MET A 456 -9.472 6.235 -5.738 1.00 0.08 H new ATOM 0 HA MET A 456 -12.141 7.260 -5.257 1.00 0.09 H new ATOM 0 HB2 MET A 456 -11.985 4.987 -3.764 1.00 0.08 H new ATOM 0 HB3 MET A 456 -12.388 4.990 -5.470 1.00 0.08 H new ATOM 0 HG2 MET A 456 -9.822 4.770 -5.817 1.00 0.06 H new ATOM 0 HG3 MET A 456 -9.811 4.267 -4.139 1.00 0.06 H new ATOM 0 HE1 MET A 456 -11.939 2.072 -7.567 1.00 0.07 H new ATOM 0 HE2 MET A 456 -12.466 3.671 -6.991 1.00 0.07 H new ATOM 0 HE3 MET A 456 -10.867 3.481 -7.749 1.00 0.07 H new ATOM 1824 N VAL A 457 -9.894 6.825 -2.898 1.00 0.08 N ATOM 1825 CA VAL A 457 -9.576 6.974 -1.501 1.00 0.10 C ATOM 1826 C VAL A 457 -8.717 8.160 -1.202 1.00 0.17 C ATOM 1827 O VAL A 457 -7.759 8.491 -1.895 1.00 0.23 O ATOM 1828 CB VAL A 457 -8.940 5.694 -0.937 1.00 0.06 C ATOM 1829 CG1 VAL A 457 -8.052 5.042 -1.969 1.00 0.06 C ATOM 1830 CG2 VAL A 457 -8.182 5.958 0.355 1.00 0.10 C ATOM 0 H VAL A 457 -9.147 6.404 -3.450 1.00 0.08 H new ATOM 0 HA VAL A 457 -10.528 7.151 -1.001 1.00 0.10 H new ATOM 0 HB VAL A 457 -9.748 5.004 -0.695 1.00 0.06 H new ATOM 0 HG11 VAL A 457 -7.611 4.137 -1.550 1.00 0.06 H new ATOM 0 HG12 VAL A 457 -8.644 4.784 -2.847 1.00 0.06 H new ATOM 0 HG13 VAL A 457 -7.259 5.733 -2.256 1.00 0.06 H new ATOM 0 HG21 VAL A 457 -7.748 5.027 0.719 1.00 0.10 H new ATOM 0 HG22 VAL A 457 -7.387 6.680 0.169 1.00 0.10 H new ATOM 0 HG23 VAL A 457 -8.867 6.357 1.104 1.00 0.10 H new ATOM 1840 N GLU A 458 -9.111 8.753 -0.117 1.00 0.18 N ATOM 1841 CA GLU A 458 -8.541 9.913 0.427 1.00 0.26 C ATOM 1842 C GLU A 458 -8.423 9.690 1.891 1.00 0.15 C ATOM 1843 O GLU A 458 -8.762 8.603 2.364 1.00 0.08 O ATOM 1844 CB GLU A 458 -9.432 11.092 0.145 1.00 0.42 C ATOM 1845 CG GLU A 458 -10.872 10.774 0.419 1.00 0.46 C ATOM 1846 CD GLU A 458 -11.810 11.935 0.176 1.00 0.66 C ATOM 1847 OE1 GLU A 458 -12.197 12.151 -0.990 1.00 0.82 O1- ATOM 1848 OE2 GLU A 458 -12.144 12.648 1.147 1.00 0.83 O ATOM 0 H GLU A 458 -9.893 8.403 0.437 1.00 0.18 H new ATOM 0 HA GLU A 458 -7.563 10.119 -0.009 1.00 0.26 H new ATOM 0 HB2 GLU A 458 -9.122 11.938 0.759 1.00 0.42 H new ATOM 0 HB3 GLU A 458 -9.317 11.395 -0.896 1.00 0.42 H new ATOM 0 HG2 GLU A 458 -11.175 9.936 -0.209 1.00 0.46 H new ATOM 0 HG3 GLU A 458 -10.972 10.449 1.455 1.00 0.46 H new ATOM 1855 N LYS A 459 -7.934 10.660 2.617 1.00 0.19 N ATOM 1856 CA LYS A 459 -7.885 10.519 4.018 1.00 0.13 C ATOM 1857 C LYS A 459 -9.208 10.153 4.607 1.00 0.14 C ATOM 1858 O LYS A 459 -10.278 10.316 4.012 1.00 0.21 O ATOM 1859 CB LYS A 459 -7.347 11.742 4.674 1.00 0.14 C ATOM 1860 CG LYS A 459 -5.884 11.812 4.581 1.00 0.15 C ATOM 1861 CD LYS A 459 -5.425 12.966 5.368 1.00 0.15 C ATOM 1862 CE LYS A 459 -5.460 14.195 4.536 1.00 0.20 C ATOM 1863 NZ LYS A 459 -4.718 15.330 5.148 1.00 0.24 N1+ ATOM 0 H LYS A 459 -7.572 11.541 2.252 1.00 0.19 H new ATOM 0 HA LYS A 459 -7.202 9.692 4.213 1.00 0.13 H new ATOM 0 HB2 LYS A 459 -7.783 12.626 4.209 1.00 0.14 H new ATOM 0 HB3 LYS A 459 -7.645 11.753 5.722 1.00 0.14 H new ATOM 0 HG2 LYS A 459 -5.435 10.893 4.958 1.00 0.15 H new ATOM 0 HG3 LYS A 459 -5.574 11.915 3.541 1.00 0.15 H new ATOM 0 HD2 LYS A 459 -6.059 13.093 6.246 1.00 0.15 H new ATOM 0 HD3 LYS A 459 -4.412 12.790 5.729 1.00 0.15 H new ATOM 0 HE2 LYS A 459 -5.036 13.976 3.556 1.00 0.20 H new ATOM 0 HE3 LYS A 459 -6.497 14.490 4.376 1.00 0.20 H new ATOM 0 HZ1 LYS A 459 -4.777 16.160 4.524 1.00 0.24 H new ATOM 0 HZ2 LYS A 459 -5.137 15.561 6.071 1.00 0.24 H new ATOM 0 HZ3 LYS A 459 -3.721 15.064 5.277 1.00 0.24 H new ATOM 1877 N GLY A 460 -9.104 9.681 5.806 1.00 0.13 N ATOM 1878 CA GLY A 460 -10.262 9.249 6.511 1.00 0.19 C ATOM 1879 C GLY A 460 -10.550 7.784 6.305 1.00 0.19 C ATOM 1880 O GLY A 460 -10.967 7.091 7.238 1.00 0.37 O ATOM 0 H GLY A 460 -8.227 9.585 6.317 1.00 0.13 H new ATOM 0 HA2 GLY A 460 -10.129 9.444 7.575 1.00 0.19 H new ATOM 0 HA3 GLY A 460 -11.122 9.834 6.185 1.00 0.19 H new ATOM 1884 N THR A 461 -10.292 7.312 5.091 1.00 0.12 N ATOM 1885 CA THR A 461 -10.593 5.961 4.705 1.00 0.10 C ATOM 1886 C THR A 461 -9.594 5.020 5.342 1.00 0.09 C ATOM 1887 O THR A 461 -8.421 5.350 5.495 1.00 0.12 O ATOM 1888 CB THR A 461 -10.560 5.843 3.159 1.00 0.11 C ATOM 1889 OG1 THR A 461 -11.750 6.424 2.606 1.00 0.15 O ATOM 1890 CG2 THR A 461 -10.408 4.394 2.673 1.00 0.08 C ATOM 0 H THR A 461 -9.865 7.869 4.350 1.00 0.12 H new ATOM 0 HA THR A 461 -11.591 5.690 5.049 1.00 0.10 H new ATOM 0 HB THR A 461 -9.680 6.385 2.813 1.00 0.11 H new ATOM 0 HG1 THR A 461 -11.727 6.350 1.629 1.00 0.15 H new ATOM 0 HG21 THR A 461 -10.391 4.376 1.583 1.00 0.08 H new ATOM 0 HG22 THR A 461 -9.477 3.977 3.057 1.00 0.08 H new ATOM 0 HG23 THR A 461 -11.248 3.800 3.033 1.00 0.08 H new ATOM 1898 N PRO A 462 -10.045 3.859 5.777 1.00 0.08 N ATOM 1899 CA PRO A 462 -9.168 2.852 6.273 1.00 0.10 C ATOM 1900 C PRO A 462 -8.429 2.189 5.159 1.00 0.09 C ATOM 1901 O PRO A 462 -8.763 2.328 3.992 1.00 0.10 O ATOM 1902 CB PRO A 462 -10.071 1.822 6.931 1.00 0.12 C ATOM 1903 CG PRO A 462 -11.423 2.378 6.865 1.00 0.09 C ATOM 1904 CD PRO A 462 -11.425 3.421 5.810 1.00 0.07 C ATOM 0 HA PRO A 462 -8.432 3.279 6.954 1.00 0.10 H new ATOM 0 HB2 PRO A 462 -10.016 0.865 6.412 1.00 0.12 H new ATOM 0 HB3 PRO A 462 -9.772 1.642 7.964 1.00 0.12 H new ATOM 0 HG2 PRO A 462 -12.148 1.597 6.634 1.00 0.09 H new ATOM 0 HG3 PRO A 462 -11.710 2.804 7.826 1.00 0.09 H new ATOM 0 HD2 PRO A 462 -11.744 3.020 4.848 1.00 0.07 H new ATOM 0 HD3 PRO A 462 -12.102 4.240 6.054 1.00 0.07 H new ATOM 1912 N VAL A 463 -7.450 1.452 5.533 1.00 0.09 N ATOM 1913 CA VAL A 463 -6.826 0.538 4.628 1.00 0.14 C ATOM 1914 C VAL A 463 -6.631 -0.755 5.357 1.00 0.12 C ATOM 1915 O VAL A 463 -6.651 -0.804 6.584 1.00 0.22 O ATOM 1916 CB VAL A 463 -5.486 1.027 4.024 1.00 0.27 C ATOM 1917 CG1 VAL A 463 -5.485 2.522 3.810 1.00 1.07 C ATOM 1918 CG2 VAL A 463 -4.305 0.605 4.835 1.00 1.09 C ATOM 0 H VAL A 463 -7.053 1.459 6.472 1.00 0.09 H new ATOM 0 HA VAL A 463 -7.485 0.430 3.767 1.00 0.14 H new ATOM 0 HB VAL A 463 -5.395 0.545 3.051 1.00 0.27 H new ATOM 0 HG11 VAL A 463 -4.529 2.828 3.385 1.00 1.07 H new ATOM 0 HG12 VAL A 463 -6.289 2.792 3.126 1.00 1.07 H new ATOM 0 HG13 VAL A 463 -5.636 3.026 4.764 1.00 1.07 H new ATOM 0 HG21 VAL A 463 -3.392 0.974 4.367 1.00 1.09 H new ATOM 0 HG22 VAL A 463 -4.389 1.016 5.841 1.00 1.09 H new ATOM 0 HG23 VAL A 463 -4.271 -0.483 4.889 1.00 1.09 H new ATOM 1928 N LEU A 464 -6.526 -1.796 4.615 1.00 0.07 N ATOM 1929 CA LEU A 464 -6.330 -3.084 5.180 1.00 0.06 C ATOM 1930 C LEU A 464 -5.150 -3.737 4.569 1.00 0.06 C ATOM 1931 O LEU A 464 -4.838 -3.507 3.418 1.00 0.06 O ATOM 1932 CB LEU A 464 -7.531 -3.911 4.872 1.00 0.06 C ATOM 1933 CG LEU A 464 -8.114 -4.659 6.033 1.00 0.08 C ATOM 1934 CD1 LEU A 464 -8.514 -3.682 7.125 1.00 0.12 C ATOM 1935 CD2 LEU A 464 -9.283 -5.461 5.536 1.00 0.13 C ATOM 0 H LEU A 464 -6.573 -1.781 3.596 1.00 0.07 H new ATOM 0 HA LEU A 464 -6.175 -2.990 6.255 1.00 0.06 H new ATOM 0 HB2 LEU A 464 -8.301 -3.261 4.457 1.00 0.06 H new ATOM 0 HB3 LEU A 464 -7.267 -4.629 4.095 1.00 0.06 H new ATOM 0 HG LEU A 464 -7.382 -5.341 6.466 1.00 0.08 H new ATOM 0 HD11 LEU A 464 -8.937 -4.230 7.967 1.00 0.12 H new ATOM 0 HD12 LEU A 464 -7.636 -3.128 7.457 1.00 0.12 H new ATOM 0 HD13 LEU A 464 -9.256 -2.985 6.736 1.00 0.12 H new ATOM 0 HD21 LEU A 464 -9.724 -6.014 6.365 1.00 0.13 H new ATOM 0 HD22 LEU A 464 -10.029 -4.791 5.110 1.00 0.13 H new ATOM 0 HD23 LEU A 464 -8.945 -6.161 4.772 1.00 0.13 H new ATOM 1947 N VAL A 465 -4.471 -4.482 5.380 1.00 0.06 N ATOM 1948 CA VAL A 465 -3.514 -5.435 4.932 1.00 0.06 C ATOM 1949 C VAL A 465 -3.616 -6.630 5.859 1.00 0.08 C ATOM 1950 O VAL A 465 -3.953 -6.460 7.033 1.00 0.09 O ATOM 1951 CB VAL A 465 -2.072 -4.876 4.870 1.00 0.06 C ATOM 1952 CG1 VAL A 465 -2.025 -3.393 4.507 1.00 0.07 C ATOM 1953 CG2 VAL A 465 -1.321 -5.140 6.118 1.00 0.07 C ATOM 0 H VAL A 465 -4.570 -4.442 6.394 1.00 0.06 H new ATOM 0 HA VAL A 465 -3.737 -5.717 3.903 1.00 0.06 H new ATOM 0 HB VAL A 465 -1.579 -5.416 4.062 1.00 0.06 H new ATOM 0 HG11 VAL A 465 -0.988 -3.058 4.479 1.00 0.07 H new ATOM 0 HG12 VAL A 465 -2.481 -3.243 3.529 1.00 0.07 H new ATOM 0 HG13 VAL A 465 -2.572 -2.818 5.254 1.00 0.07 H new ATOM 0 HG21 VAL A 465 -0.315 -4.731 6.031 1.00 0.07 H new ATOM 0 HG22 VAL A 465 -1.833 -4.669 6.957 1.00 0.07 H new ATOM 0 HG23 VAL A 465 -1.262 -6.215 6.287 1.00 0.07 H new ATOM 1963 N PHE A 466 -3.391 -7.821 5.340 1.00 0.11 N ATOM 1964 CA PHE A 466 -3.541 -9.034 6.133 1.00 0.14 C ATOM 1965 C PHE A 466 -2.784 -10.201 5.515 1.00 0.19 C ATOM 1966 O PHE A 466 -2.161 -10.973 6.274 1.00 1.16 O ATOM 1967 CB PHE A 466 -5.023 -9.372 6.317 1.00 0.13 C ATOM 1968 CG PHE A 466 -5.818 -9.349 5.046 1.00 0.12 C ATOM 1969 CD1 PHE A 466 -5.744 -10.381 4.125 1.00 0.14 C ATOM 1970 CD2 PHE A 466 -6.640 -8.280 4.777 1.00 0.14 C ATOM 1971 CE1 PHE A 466 -6.477 -10.338 2.954 1.00 0.18 C ATOM 1972 CE2 PHE A 466 -7.374 -8.235 3.619 1.00 0.17 C ATOM 1973 CZ PHE A 466 -7.298 -9.258 2.705 1.00 0.19 C ATOM 1974 OXT PHE A 466 -2.801 -10.335 4.276 1.00 1.08 O ATOM 0 H PHE A 466 -3.104 -7.979 4.374 1.00 0.11 H new ATOM 0 HA PHE A 466 -3.106 -8.851 7.115 1.00 0.14 H new ATOM 0 HB2 PHE A 466 -5.106 -10.361 6.767 1.00 0.13 H new ATOM 0 HB3 PHE A 466 -5.462 -8.664 7.020 1.00 0.13 H new ATOM 0 HD1 PHE A 466 -5.106 -11.229 4.324 1.00 0.14 H new ATOM 0 HD2 PHE A 466 -6.708 -7.467 5.485 1.00 0.14 H new ATOM 0 HE1 PHE A 466 -6.407 -11.144 2.239 1.00 0.18 H new ATOM 0 HE2 PHE A 466 -8.016 -7.389 3.424 1.00 0.17 H new ATOM 0 HZ PHE A 466 -7.879 -9.217 1.795 1.00 0.19 H new