USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 956 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 421 HIS : no HE2:sc= -4.59! C(o=-13!,f=-17!) USER MOD Set 1.2: A 426 GLN : amide:sc= -5.35! C(o=-13!,f=-19!) USER MOD Set 1.3: A 439 SER OG : rot -179:sc= 0.0967 USER MOD Set 1.4: A 442 CYS SG : rot 180:sc=-0.00741 USER MOD Set 1.5: A 444 ASN : amide:sc= -3.17! C(o=-13!,f=-14!) USER MOD Set 2.1: A 374 THR OG1 : rot 91:sc= -0.295 USER MOD Set 2.2: A 375 THR OG1 : rot -150:sc= -0.0679 USER MOD Set 2.3: A 440 HIS : no HD1:sc= -2.09 K(o=-2.4,f=-4.2!) USER MOD Set 3.1: A 411 MET CE :methyl -173:sc= -7.68! (180deg=-8.1!) USER MOD Set 3.2: A 450 MET CE :methyl 152:sc= -3.05 (180deg=-5.79!) USER MOD Set 4.1: A 370 SER OG : rot 48:sc= 0.0275 USER MOD Set 4.2: A 377 THR OG1 : rot -119:sc= 0.881 USER MOD Set 5.1: A 339 HIS : no HD1:sc= -3.54! C(o=-2.9!,f=-4.5!) USER MOD Set 5.2: A 344 TYR OH : rot 159:sc= 0.654 USER MOD Single : A 340 MET CE :methyl -142:sc= -1.89 (180deg=-3.77) USER MOD Single : A 343 THR OG1 : rot 180:sc= 0 USER MOD Single : A 351 ASN : amide:sc= 0.162 X(o=0.16,f=-0.0049) USER MOD Single : A 352 GLN : amide:sc= -7.38! C(o=-7.4!,f=-12!) USER MOD Single : A 353 HIS : no HE2:sc= -3.41! C(o=-3.4!,f=-3!) USER MOD Single : A 354 MET CE :methyl -164:sc= -6.3! (180deg=-6.79!) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 357 TYR OH : rot 47:sc= 0.0153 USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 70:sc= -1.67 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 : amide:sc= -1.79 K(o=-1.8,f=-0.41) 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 396 THR OG1 : rot 180:sc= 0 USER MOD Single : A 397 ASN : amide:sc= -3.2 K(o=-3.2,f=-0.78) USER MOD Single : A 401 THR OG1 : rot -89:sc= -0.0284 USER MOD Single : A 403 TYR OH : rot 30:sc= -2.04! USER MOD Single : A 405 SER OG : rot 50:sc= -4.93! USER MOD Single : A 408 ASN : amide:sc= -2.02 K(o=-2,f=-1.3) USER MOD Single : A 409 TYR OH : rot 30:sc= 0 USER MOD Single : A 416 THR OG1 : rot 6:sc= 0.973 USER MOD Single : A 423 SER OG : rot -66:sc= -2.76! USER MOD Single : A 429 TYR OH : rot 35:sc= -0.42! USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot -36:sc= 0.546 USER MOD Single : A 445 THR OG1 : rot -117:sc= 1.1 USER MOD Single : A 448 SER OG : rot 180:sc= 0 USER MOD Single : A 451 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 MET CE :methyl 180:sc= -4.98! (180deg=-4.98!) 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 1 N GLY A 338 -10.935 -7.776 13.941 1.00 3.94 N ATOM 2 CA GLY A 338 -9.979 -8.152 12.871 1.00 3.08 C ATOM 3 C GLY A 338 -10.312 -7.490 11.553 1.00 2.42 C ATOM 4 O GLY A 338 -9.987 -6.320 11.339 1.00 2.77 O ATOM 0 HA2 GLY A 338 -8.970 -7.872 13.172 1.00 3.08 H new ATOM 0 HA3 GLY A 338 -9.985 -9.235 12.744 1.00 3.08 H new ATOM 10 N HIS A 339 -10.968 -8.230 10.669 1.00 1.85 N ATOM 11 CA HIS A 339 -11.383 -7.690 9.380 1.00 1.24 C ATOM 12 C HIS A 339 -12.607 -6.798 9.578 1.00 1.07 C ATOM 13 O HIS A 339 -13.070 -6.624 10.703 1.00 1.60 O ATOM 14 CB HIS A 339 -11.694 -8.818 8.409 1.00 1.08 C ATOM 15 CG HIS A 339 -11.341 -8.534 6.991 1.00 0.56 C ATOM 16 ND1 HIS A 339 -10.193 -9.002 6.402 1.00 0.65 N ATOM 17 CD2 HIS A 339 -12.004 -7.848 6.034 1.00 1.00 C ATOM 18 CE1 HIS A 339 -10.163 -8.619 5.146 1.00 1.30 C ATOM 19 NE2 HIS A 339 -11.253 -7.922 4.895 1.00 1.60 N ATOM 0 H HIS A 339 -11.224 -9.206 10.820 1.00 1.85 H new ATOM 0 HA HIS A 339 -10.572 -7.096 8.958 1.00 1.24 H new ATOM 0 HB2 HIS A 339 -11.160 -9.713 8.730 1.00 1.08 H new ATOM 0 HB3 HIS A 339 -12.759 -9.045 8.466 1.00 1.08 H new ATOM 0 HD2 HIS A 339 -12.949 -7.338 6.148 1.00 1.00 H new ATOM 0 HE1 HIS A 339 -9.377 -8.838 4.438 1.00 1.30 H new ATOM 0 HE2 HIS A 339 -11.496 -7.505 3.996 1.00 1.60 H new ATOM 28 N MET A 340 -13.143 -6.239 8.503 1.00 0.83 N ATOM 29 CA MET A 340 -14.215 -5.275 8.628 1.00 0.69 C ATOM 30 C MET A 340 -15.251 -5.413 7.532 1.00 0.64 C ATOM 31 O MET A 340 -15.123 -6.221 6.616 1.00 0.83 O ATOM 32 CB MET A 340 -13.635 -3.866 8.613 1.00 0.61 C ATOM 33 CG MET A 340 -12.847 -3.560 9.845 1.00 0.72 C ATOM 34 SD MET A 340 -12.208 -1.882 9.887 1.00 1.03 S ATOM 35 CE MET A 340 -11.439 -1.827 8.284 1.00 0.58 C ATOM 0 H MET A 340 -12.854 -6.437 7.545 1.00 0.83 H new ATOM 0 HA MET A 340 -14.720 -5.468 9.575 1.00 0.69 H new ATOM 0 HB2 MET A 340 -12.996 -3.749 7.738 1.00 0.61 H new ATOM 0 HB3 MET A 340 -14.445 -3.144 8.515 1.00 0.61 H new ATOM 0 HG2 MET A 340 -13.477 -3.723 10.720 1.00 0.72 H new ATOM 0 HG3 MET A 340 -12.014 -4.260 9.917 1.00 0.72 H new ATOM 0 HE1 MET A 340 -10.507 -1.265 8.347 1.00 0.58 H new ATOM 0 HE2 MET A 340 -11.229 -2.842 7.946 1.00 0.58 H new ATOM 0 HE3 MET A 340 -12.109 -1.340 7.576 1.00 0.58 H new ATOM 45 N GLU A 341 -16.269 -4.594 7.661 1.00 0.56 N ATOM 46 CA GLU A 341 -17.355 -4.503 6.705 1.00 0.57 C ATOM 47 C GLU A 341 -17.463 -3.067 6.221 1.00 0.46 C ATOM 48 O GLU A 341 -18.271 -2.729 5.355 1.00 0.49 O ATOM 49 CB GLU A 341 -18.667 -4.941 7.336 1.00 0.73 C ATOM 50 CG GLU A 341 -18.969 -4.175 8.603 1.00 0.76 C ATOM 51 CD GLU A 341 -20.231 -4.640 9.285 1.00 0.97 C ATOM 52 OE1 GLU A 341 -20.257 -5.787 9.769 1.00 1.08 O1- ATOM 53 OE2 GLU A 341 -21.206 -3.866 9.335 1.00 1.10 O ATOM 0 H GLU A 341 -16.370 -3.957 8.451 1.00 0.56 H new ATOM 0 HA GLU A 341 -17.149 -5.165 5.864 1.00 0.57 H new ATOM 0 HB2 GLU A 341 -19.478 -4.796 6.623 1.00 0.73 H new ATOM 0 HB3 GLU A 341 -18.624 -6.007 7.558 1.00 0.73 H new ATOM 0 HG2 GLU A 341 -18.131 -4.278 9.292 1.00 0.76 H new ATOM 0 HG3 GLU A 341 -19.059 -3.115 8.367 1.00 0.76 H new ATOM 60 N ASP A 342 -16.641 -2.245 6.827 1.00 0.38 N ATOM 61 CA ASP A 342 -16.431 -0.860 6.435 1.00 0.32 C ATOM 62 C ASP A 342 -16.022 -0.705 4.992 1.00 0.25 C ATOM 63 O ASP A 342 -15.815 -1.663 4.241 1.00 0.27 O ATOM 64 CB ASP A 342 -15.347 -0.202 7.255 1.00 0.34 C ATOM 65 CG ASP A 342 -15.852 0.400 8.549 1.00 0.62 C ATOM 66 OD1 ASP A 342 -16.315 -0.367 9.418 1.00 0.79 O ATOM 67 OD2 ASP A 342 -15.768 1.634 8.714 1.00 0.98 O1- ATOM 0 H ASP A 342 -16.080 -2.524 7.632 1.00 0.38 H new ATOM 0 HA ASP A 342 -17.399 -0.386 6.601 1.00 0.32 H new ATOM 0 HB2 ASP A 342 -14.576 -0.939 7.482 1.00 0.34 H new ATOM 0 HB3 ASP A 342 -14.875 0.580 6.659 1.00 0.34 H new ATOM 72 N THR A 343 -16.044 0.533 4.600 1.00 0.23 N ATOM 73 CA THR A 343 -15.466 0.962 3.370 1.00 0.19 C ATOM 74 C THR A 343 -14.033 1.348 3.674 1.00 0.13 C ATOM 75 O THR A 343 -13.782 2.225 4.498 1.00 0.16 O ATOM 76 CB THR A 343 -16.222 2.190 2.863 1.00 0.24 C ATOM 77 OG1 THR A 343 -17.635 1.958 2.957 1.00 0.45 O ATOM 78 CG2 THR A 343 -15.862 2.493 1.438 1.00 0.20 C ATOM 0 H THR A 343 -16.473 1.285 5.139 1.00 0.23 H new ATOM 0 HA THR A 343 -15.513 0.179 2.613 1.00 0.19 H new ATOM 0 HB THR A 343 -15.942 3.043 3.481 1.00 0.24 H new ATOM 0 HG1 THR A 343 -18.118 2.747 2.633 1.00 0.45 H new ATOM 0 HG21 THR A 343 -16.414 3.371 1.102 1.00 0.20 H new ATOM 0 HG22 THR A 343 -14.792 2.688 1.367 1.00 0.20 H new ATOM 0 HG23 THR A 343 -16.119 1.641 0.809 1.00 0.20 H new ATOM 86 N TYR A 344 -13.114 0.700 3.003 1.00 0.10 N ATOM 87 CA TYR A 344 -11.707 0.868 3.258 1.00 0.07 C ATOM 88 C TYR A 344 -10.896 0.502 2.046 1.00 0.06 C ATOM 89 O TYR A 344 -11.425 0.284 0.966 1.00 0.08 O ATOM 90 CB TYR A 344 -11.239 -0.023 4.407 1.00 0.08 C ATOM 91 CG TYR A 344 -11.808 -1.422 4.421 1.00 0.12 C ATOM 92 CD1 TYR A 344 -11.199 -2.465 3.739 1.00 0.14 C ATOM 93 CD2 TYR A 344 -12.952 -1.693 5.139 1.00 0.19 C ATOM 94 CE1 TYR A 344 -11.725 -3.740 3.775 1.00 0.20 C ATOM 95 CE2 TYR A 344 -13.482 -2.960 5.185 1.00 0.25 C ATOM 96 CZ TYR A 344 -12.868 -3.984 4.501 1.00 0.25 C ATOM 97 OH TYR A 344 -13.392 -5.254 4.548 1.00 0.32 O ATOM 0 H TYR A 344 -13.324 0.036 2.258 1.00 0.10 H new ATOM 0 HA TYR A 344 -11.561 1.917 3.515 1.00 0.07 H new ATOM 0 HB2 TYR A 344 -10.152 -0.093 4.370 1.00 0.08 H new ATOM 0 HB3 TYR A 344 -11.495 0.464 5.348 1.00 0.08 H new ATOM 0 HD1 TYR A 344 -10.300 -2.276 3.171 1.00 0.14 H new ATOM 0 HD2 TYR A 344 -13.442 -0.894 5.676 1.00 0.19 H new ATOM 0 HE1 TYR A 344 -11.242 -4.542 3.236 1.00 0.20 H new ATOM 0 HE2 TYR A 344 -14.378 -3.152 5.757 1.00 0.25 H new ATOM 0 HH TYR A 344 -13.964 -5.343 5.339 1.00 0.32 H new ATOM 107 N ILE A 345 -9.598 0.459 2.241 1.00 0.05 N ATOM 108 CA ILE A 345 -8.721 -0.133 1.274 1.00 0.05 C ATOM 109 C ILE A 345 -8.327 -1.506 1.779 1.00 0.05 C ATOM 110 O ILE A 345 -8.479 -1.769 2.959 1.00 0.08 O ATOM 111 CB ILE A 345 -7.455 0.699 1.039 1.00 0.06 C ATOM 112 CG1 ILE A 345 -7.776 2.174 0.989 1.00 0.07 C ATOM 113 CG2 ILE A 345 -6.837 0.271 -0.272 1.00 0.06 C ATOM 114 CD1 ILE A 345 -8.770 2.472 -0.072 1.00 0.07 C ATOM 0 H ILE A 345 -9.130 0.831 3.068 1.00 0.05 H new ATOM 0 HA ILE A 345 -9.249 -0.188 0.322 1.00 0.05 H new ATOM 0 HB ILE A 345 -6.761 0.533 1.863 1.00 0.06 H new ATOM 0 HG12 ILE A 345 -8.164 2.497 1.955 1.00 0.07 H new ATOM 0 HG13 ILE A 345 -6.864 2.741 0.806 1.00 0.07 H new ATOM 0 HG21 ILE A 345 -5.934 0.853 -0.456 1.00 0.06 H new ATOM 0 HG22 ILE A 345 -6.583 -0.788 -0.226 1.00 0.06 H new ATOM 0 HG23 ILE A 345 -7.548 0.439 -1.081 1.00 0.06 H new ATOM 0 HD11 ILE A 345 -8.981 3.541 -0.083 1.00 0.07 H new ATOM 0 HD12 ILE A 345 -8.370 2.171 -1.040 1.00 0.07 H new ATOM 0 HD13 ILE A 345 -9.690 1.923 0.127 1.00 0.07 H new ATOM 126 N GLU A 346 -7.838 -2.382 0.923 1.00 0.05 N ATOM 127 CA GLU A 346 -7.436 -3.706 1.381 1.00 0.05 C ATOM 128 C GLU A 346 -6.179 -4.153 0.701 1.00 0.05 C ATOM 129 O GLU A 346 -5.828 -3.669 -0.352 1.00 0.06 O ATOM 130 CB GLU A 346 -8.536 -4.719 1.124 1.00 0.06 C ATOM 131 CG GLU A 346 -8.767 -5.604 2.294 1.00 0.07 C ATOM 132 CD GLU A 346 -9.704 -6.762 2.010 1.00 0.09 C ATOM 133 OE1 GLU A 346 -9.356 -7.637 1.190 1.00 0.12 O ATOM 134 OE2 GLU A 346 -10.795 -6.812 2.615 1.00 0.17 O1- ATOM 0 H GLU A 346 -7.709 -2.211 -0.074 1.00 0.05 H new ATOM 0 HA GLU A 346 -7.252 -3.640 2.453 1.00 0.05 H new ATOM 0 HB2 GLU A 346 -9.460 -4.195 0.878 1.00 0.06 H new ATOM 0 HB3 GLU A 346 -8.274 -5.326 0.257 1.00 0.06 H new ATOM 0 HG2 GLU A 346 -7.809 -5.999 2.634 1.00 0.07 H new ATOM 0 HG3 GLU A 346 -9.176 -5.010 3.112 1.00 0.07 H new ATOM 141 N VAL A 347 -5.484 -5.032 1.370 1.00 0.05 N ATOM 142 CA VAL A 347 -4.223 -5.553 0.914 1.00 0.05 C ATOM 143 C VAL A 347 -4.024 -6.948 1.435 1.00 0.07 C ATOM 144 O VAL A 347 -4.253 -7.230 2.609 1.00 0.08 O ATOM 145 CB VAL A 347 -3.060 -4.708 1.436 1.00 0.06 C ATOM 146 CG1 VAL A 347 -1.746 -5.392 1.124 1.00 0.06 C ATOM 147 CG2 VAL A 347 -3.086 -3.319 0.858 1.00 0.06 C ATOM 0 H VAL A 347 -5.784 -5.415 2.267 1.00 0.05 H new ATOM 0 HA VAL A 347 -4.241 -5.538 -0.176 1.00 0.05 H new ATOM 0 HB VAL A 347 -3.165 -4.614 2.517 1.00 0.06 H new ATOM 0 HG11 VAL A 347 -0.922 -4.785 1.498 1.00 0.06 H new ATOM 0 HG12 VAL A 347 -1.723 -6.371 1.603 1.00 0.06 H new ATOM 0 HG13 VAL A 347 -1.646 -5.514 0.045 1.00 0.06 H new ATOM 0 HG21 VAL A 347 -2.246 -2.746 1.250 1.00 0.06 H new ATOM 0 HG22 VAL A 347 -3.011 -3.375 -0.228 1.00 0.06 H new ATOM 0 HG23 VAL A 347 -4.020 -2.828 1.133 1.00 0.06 H new ATOM 157 N ASP A 348 -3.572 -7.795 0.563 1.00 0.08 N ATOM 158 CA ASP A 348 -3.198 -9.132 0.924 1.00 0.11 C ATOM 159 C ASP A 348 -1.726 -9.295 0.660 1.00 0.15 C ATOM 160 O ASP A 348 -1.274 -9.124 -0.467 1.00 0.24 O ATOM 161 CB ASP A 348 -4.032 -10.124 0.132 1.00 0.14 C ATOM 162 CG ASP A 348 -3.781 -11.580 0.476 1.00 0.18 C ATOM 163 OD1 ASP A 348 -2.612 -11.934 0.728 1.00 0.33 O ATOM 164 OD2 ASP A 348 -4.731 -12.376 0.501 1.00 0.37 O1- ATOM 0 H ASP A 348 -3.450 -7.579 -0.426 1.00 0.08 H new ATOM 0 HA ASP A 348 -3.386 -9.322 1.981 1.00 0.11 H new ATOM 0 HB2 ASP A 348 -5.087 -9.903 0.295 1.00 0.14 H new ATOM 0 HB3 ASP A 348 -3.836 -9.977 -0.930 1.00 0.14 H new ATOM 169 N LEU A 349 -0.982 -9.555 1.701 1.00 0.13 N ATOM 170 CA LEU A 349 0.450 -9.695 1.590 1.00 0.14 C ATOM 171 C LEU A 349 0.802 -10.970 0.856 1.00 0.20 C ATOM 172 O LEU A 349 1.580 -10.992 -0.087 1.00 0.32 O ATOM 173 CB LEU A 349 1.059 -9.680 2.990 1.00 0.16 C ATOM 174 CG LEU A 349 0.921 -8.370 3.755 1.00 0.14 C ATOM 175 CD1 LEU A 349 1.057 -7.189 2.843 1.00 0.14 C ATOM 176 CD2 LEU A 349 -0.394 -8.293 4.466 1.00 0.12 C ATOM 0 H LEU A 349 -1.346 -9.676 2.646 1.00 0.13 H new ATOM 0 HA LEU A 349 0.858 -8.863 1.015 1.00 0.14 H new ATOM 0 HB2 LEU A 349 0.595 -10.473 3.577 1.00 0.16 H new ATOM 0 HB3 LEU A 349 2.119 -9.922 2.908 1.00 0.16 H new ATOM 0 HG LEU A 349 1.726 -8.347 4.489 1.00 0.14 H new ATOM 0 HD11 LEU A 349 0.954 -6.270 3.420 1.00 0.14 H new ATOM 0 HD12 LEU A 349 2.036 -7.209 2.365 1.00 0.14 H new ATOM 0 HD13 LEU A 349 0.280 -7.227 2.080 1.00 0.14 H new ATOM 0 HD21 LEU A 349 -0.463 -7.347 5.003 1.00 0.12 H new ATOM 0 HD22 LEU A 349 -1.204 -8.358 3.740 1.00 0.12 H new ATOM 0 HD23 LEU A 349 -0.474 -9.118 5.174 1.00 0.12 H new ATOM 188 N GLU A 350 0.154 -12.016 1.312 1.00 0.20 N ATOM 189 CA GLU A 350 0.337 -13.363 0.803 1.00 0.24 C ATOM 190 C GLU A 350 0.127 -13.449 -0.693 1.00 0.22 C ATOM 191 O GLU A 350 0.949 -13.985 -1.425 1.00 0.31 O ATOM 192 CB GLU A 350 -0.659 -14.254 1.473 1.00 0.31 C ATOM 193 CG GLU A 350 -0.289 -14.594 2.887 1.00 0.41 C ATOM 194 CD GLU A 350 0.737 -15.699 2.984 1.00 0.84 C ATOM 195 OE1 GLU A 350 1.944 -15.402 2.889 1.00 0.96 O1- ATOM 196 OE2 GLU A 350 0.346 -16.872 3.160 1.00 1.51 O ATOM 0 H GLU A 350 -0.532 -11.957 2.065 1.00 0.20 H new ATOM 0 HA GLU A 350 1.363 -13.666 1.012 1.00 0.24 H new ATOM 0 HB2 GLU A 350 -1.635 -13.768 1.466 1.00 0.31 H new ATOM 0 HB3 GLU A 350 -0.758 -15.175 0.898 1.00 0.31 H new ATOM 0 HG2 GLU A 350 0.099 -13.702 3.379 1.00 0.41 H new ATOM 0 HG3 GLU A 350 -1.187 -14.892 3.429 1.00 0.41 H new ATOM 203 N ASN A 351 -1.030 -12.973 -1.113 1.00 0.18 N ATOM 204 CA ASN A 351 -1.455 -13.065 -2.495 1.00 0.19 C ATOM 205 C ASN A 351 -1.162 -11.759 -3.175 1.00 0.21 C ATOM 206 O ASN A 351 -1.635 -11.515 -4.287 1.00 0.35 O ATOM 207 CB ASN A 351 -2.958 -13.362 -2.589 1.00 0.27 C ATOM 208 CG ASN A 351 -3.345 -14.695 -1.989 1.00 0.48 C ATOM 209 OD1 ASN A 351 -3.284 -15.731 -2.649 1.00 0.91 O ATOM 210 ND2 ASN A 351 -3.785 -14.673 -0.742 1.00 0.39 N ATOM 0 H ASN A 351 -1.703 -12.510 -0.502 1.00 0.18 H new ATOM 0 HA ASN A 351 -0.915 -13.879 -2.979 1.00 0.19 H new ATOM 0 HB2 ASN A 351 -3.510 -12.570 -2.083 1.00 0.27 H new ATOM 0 HB3 ASN A 351 -3.260 -13.342 -3.636 1.00 0.27 H new ATOM 0 HD21 ASN A 351 -4.090 -15.537 -0.293 1.00 0.39 H new ATOM 0 HD22 ASN A 351 -3.820 -13.792 -0.229 1.00 0.39 H new ATOM 217 N GLN A 352 -0.390 -10.930 -2.466 1.00 0.12 N ATOM 218 CA GLN A 352 0.085 -9.642 -2.975 1.00 0.11 C ATOM 219 C GLN A 352 -0.970 -8.944 -3.821 1.00 0.11 C ATOM 220 O GLN A 352 -0.823 -8.806 -5.038 1.00 0.18 O ATOM 221 CB GLN A 352 1.348 -9.829 -3.796 1.00 0.18 C ATOM 222 CG GLN A 352 2.551 -10.353 -3.017 1.00 0.30 C ATOM 223 CD GLN A 352 3.290 -9.274 -2.261 1.00 1.41 C ATOM 224 OE1 GLN A 352 4.286 -8.748 -2.741 1.00 2.22 O ATOM 225 NE2 GLN A 352 2.817 -8.939 -1.075 1.00 1.92 N ATOM 0 H GLN A 352 -0.076 -11.136 -1.518 1.00 0.12 H new ATOM 0 HA GLN A 352 0.299 -9.014 -2.110 1.00 0.11 H new ATOM 0 HB2 GLN A 352 1.134 -10.519 -4.612 1.00 0.18 H new ATOM 0 HB3 GLN A 352 1.615 -8.874 -4.248 1.00 0.18 H new ATOM 0 HG2 GLN A 352 2.216 -11.115 -2.313 1.00 0.30 H new ATOM 0 HG3 GLN A 352 3.239 -10.839 -3.709 1.00 0.30 H new ATOM 0 HE21 GLN A 352 1.984 -9.400 -0.709 1.00 1.92 H new ATOM 0 HE22 GLN A 352 3.284 -8.219 -0.524 1.00 1.92 H new ATOM 234 N HIS A 353 -2.010 -8.480 -3.168 1.00 0.07 N ATOM 235 CA HIS A 353 -3.142 -7.877 -3.865 1.00 0.07 C ATOM 236 C HIS A 353 -3.794 -6.826 -2.978 1.00 0.06 C ATOM 237 O HIS A 353 -4.154 -7.093 -1.847 1.00 0.07 O ATOM 238 CB HIS A 353 -4.169 -8.953 -4.207 1.00 0.08 C ATOM 239 CG HIS A 353 -5.040 -8.600 -5.376 1.00 0.09 C ATOM 240 ND1 HIS A 353 -4.749 -8.942 -6.677 1.00 0.11 N ATOM 241 CD2 HIS A 353 -6.206 -7.928 -5.425 1.00 0.12 C ATOM 242 CE1 HIS A 353 -5.706 -8.487 -7.469 1.00 0.13 C ATOM 243 NE2 HIS A 353 -6.606 -7.874 -6.734 1.00 0.13 N ATOM 0 H HIS A 353 -2.104 -8.505 -2.153 1.00 0.07 H new ATOM 0 HA HIS A 353 -2.785 -7.408 -4.782 1.00 0.07 H new ATOM 0 HB2 HIS A 353 -3.648 -9.886 -4.421 1.00 0.08 H new ATOM 0 HB3 HIS A 353 -4.799 -9.132 -3.336 1.00 0.08 H new ATOM 0 HD1 HIS A 353 -3.927 -9.463 -6.982 1.00 0.11 H new ATOM 0 HD2 HIS A 353 -6.733 -7.506 -4.582 1.00 0.12 H new ATOM 0 HE1 HIS A 353 -5.742 -8.601 -8.542 1.00 0.13 H new ATOM 252 N MET A 354 -3.909 -5.632 -3.496 1.00 0.05 N ATOM 253 CA MET A 354 -4.493 -4.522 -2.794 1.00 0.05 C ATOM 254 C MET A 354 -5.812 -4.122 -3.436 1.00 0.04 C ATOM 255 O MET A 354 -5.899 -3.908 -4.641 1.00 0.05 O ATOM 256 CB MET A 354 -3.503 -3.376 -2.827 1.00 0.05 C ATOM 257 CG MET A 354 -3.996 -2.166 -2.089 1.00 0.06 C ATOM 258 SD MET A 354 -3.696 -0.644 -2.963 1.00 0.06 S ATOM 259 CE MET A 354 -4.704 -1.015 -4.361 1.00 0.06 C ATOM 0 H MET A 354 -3.592 -5.400 -4.437 1.00 0.05 H new ATOM 0 HA MET A 354 -4.706 -4.796 -1.761 1.00 0.05 H new ATOM 0 HB2 MET A 354 -2.559 -3.703 -2.391 1.00 0.05 H new ATOM 0 HB3 MET A 354 -3.299 -3.107 -3.863 1.00 0.05 H new ATOM 0 HG2 MET A 354 -5.066 -2.269 -1.908 1.00 0.06 H new ATOM 0 HG3 MET A 354 -3.511 -2.120 -1.114 1.00 0.06 H new ATOM 0 HE1 MET A 354 -4.458 -0.336 -5.178 1.00 0.06 H new ATOM 0 HE2 MET A 354 -4.524 -2.043 -4.677 1.00 0.06 H new ATOM 0 HE3 MET A 354 -5.754 -0.896 -4.094 1.00 0.06 H new ATOM 269 N TRP A 355 -6.830 -4.050 -2.598 1.00 0.05 N ATOM 270 CA TRP A 355 -8.188 -3.761 -3.015 1.00 0.05 C ATOM 271 C TRP A 355 -8.657 -2.432 -2.505 1.00 0.05 C ATOM 272 O TRP A 355 -7.999 -1.810 -1.700 1.00 0.05 O ATOM 273 CB TRP A 355 -9.169 -4.783 -2.483 1.00 0.06 C ATOM 274 CG TRP A 355 -9.027 -6.138 -3.046 1.00 0.07 C ATOM 275 CD1 TRP A 355 -9.622 -6.609 -4.163 1.00 0.08 C ATOM 276 CD2 TRP A 355 -8.271 -7.207 -2.497 1.00 0.08 C ATOM 277 NE1 TRP A 355 -9.266 -7.908 -4.372 1.00 0.09 N ATOM 278 CE2 TRP A 355 -8.436 -8.310 -3.346 1.00 0.08 C ATOM 279 CE3 TRP A 355 -7.463 -7.329 -1.372 1.00 0.08 C ATOM 280 CZ2 TRP A 355 -7.814 -9.532 -3.091 1.00 0.10 C ATOM 281 CZ3 TRP A 355 -6.852 -8.528 -1.122 1.00 0.09 C ATOM 282 CH2 TRP A 355 -7.029 -9.622 -1.977 1.00 0.10 C ATOM 0 H TRP A 355 -6.734 -4.193 -1.593 1.00 0.05 H new ATOM 0 HA TRP A 355 -8.161 -3.774 -4.105 1.00 0.05 H new ATOM 0 HB2 TRP A 355 -9.057 -4.843 -1.400 1.00 0.06 H new ATOM 0 HB3 TRP A 355 -10.181 -4.429 -2.679 1.00 0.06 H new ATOM 0 HD1 TRP A 355 -10.284 -6.039 -4.798 1.00 0.08 H new ATOM 0 HE1 TRP A 355 -9.564 -8.487 -5.157 1.00 0.09 H new ATOM 0 HE3 TRP A 355 -7.320 -6.491 -0.706 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 -7.948 -10.377 -3.751 1.00 0.10 H new ATOM 0 HZ3 TRP A 355 -6.223 -8.632 -0.250 1.00 0.09 H new ATOM 0 HH2 TRP A 355 -6.535 -10.556 -1.751 1.00 0.10 H new ATOM 293 N TYR A 356 -9.828 -2.040 -2.945 1.00 0.06 N ATOM 294 CA TYR A 356 -10.542 -0.951 -2.327 1.00 0.06 C ATOM 295 C TYR A 356 -11.908 -1.462 -1.997 1.00 0.06 C ATOM 296 O TYR A 356 -12.635 -1.880 -2.866 1.00 0.07 O ATOM 297 CB TYR A 356 -10.607 0.261 -3.232 1.00 0.06 C ATOM 298 CG TYR A 356 -11.426 1.416 -2.639 1.00 0.08 C ATOM 299 CD1 TYR A 356 -12.791 1.301 -2.412 1.00 0.18 C ATOM 300 CD2 TYR A 356 -10.841 2.626 -2.336 1.00 0.07 C ATOM 301 CE1 TYR A 356 -13.535 2.348 -1.903 1.00 0.22 C ATOM 302 CE2 TYR A 356 -11.580 3.677 -1.832 1.00 0.09 C ATOM 303 CZ TYR A 356 -12.924 3.534 -1.618 1.00 0.13 C ATOM 304 OH TYR A 356 -13.658 4.583 -1.112 1.00 0.20 O ATOM 0 H TYR A 356 -10.310 -2.465 -3.737 1.00 0.06 H new ATOM 0 HA TYR A 356 -10.026 -0.619 -1.426 1.00 0.06 H new ATOM 0 HB2 TYR A 356 -9.594 0.609 -3.435 1.00 0.06 H new ATOM 0 HB3 TYR A 356 -11.042 -0.031 -4.188 1.00 0.06 H new ATOM 0 HD1 TYR A 356 -13.285 0.368 -2.640 1.00 0.18 H new ATOM 0 HD2 TYR A 356 -9.781 2.755 -2.496 1.00 0.07 H new ATOM 0 HE1 TYR A 356 -14.595 2.228 -1.732 1.00 0.22 H new ATOM 0 HE2 TYR A 356 -11.096 4.616 -1.606 1.00 0.09 H new ATOM 0 HH TYR A 356 -13.070 5.353 -0.964 1.00 0.20 H new ATOM 314 N TYR A 357 -12.236 -1.497 -0.738 1.00 0.09 N ATOM 315 CA TYR A 357 -13.521 -2.009 -0.353 1.00 0.11 C ATOM 316 C TYR A 357 -14.502 -0.918 -0.055 1.00 0.12 C ATOM 317 O TYR A 357 -14.283 -0.060 0.784 1.00 0.14 O ATOM 318 CB TYR A 357 -13.458 -2.960 0.834 1.00 0.12 C ATOM 319 CG TYR A 357 -13.063 -4.355 0.460 1.00 0.12 C ATOM 320 CD1 TYR A 357 -11.783 -4.615 0.023 1.00 0.12 C ATOM 321 CD2 TYR A 357 -13.970 -5.407 0.526 1.00 0.14 C ATOM 322 CE1 TYR A 357 -11.401 -5.878 -0.340 1.00 0.14 C ATOM 323 CE2 TYR A 357 -13.595 -6.686 0.163 1.00 0.16 C ATOM 324 CZ TYR A 357 -12.306 -6.916 -0.271 1.00 0.14 C ATOM 325 OH TYR A 357 -11.917 -8.184 -0.639 1.00 0.18 O ATOM 0 H TYR A 357 -11.643 -1.183 0.030 1.00 0.09 H new ATOM 0 HA TYR A 357 -13.864 -2.572 -1.221 1.00 0.11 H new ATOM 0 HB2 TYR A 357 -12.746 -2.572 1.563 1.00 0.12 H new ATOM 0 HB3 TYR A 357 -14.432 -2.985 1.322 1.00 0.12 H new ATOM 0 HD1 TYR A 357 -11.068 -3.808 -0.034 1.00 0.12 H new ATOM 0 HD2 TYR A 357 -14.979 -5.222 0.865 1.00 0.14 H new ATOM 0 HE1 TYR A 357 -10.392 -6.061 -0.680 1.00 0.14 H new ATOM 0 HE2 TYR A 357 -14.304 -7.498 0.218 1.00 0.16 H new ATOM 0 HH TYR A 357 -11.051 -8.392 -0.230 1.00 0.18 H new ATOM 335 N LYS A 358 -15.591 -1.011 -0.748 1.00 0.12 N ATOM 336 CA LYS A 358 -16.708 -0.181 -0.593 1.00 0.14 C ATOM 337 C LYS A 358 -17.923 -0.973 -0.944 1.00 0.17 C ATOM 338 O LYS A 358 -17.914 -1.781 -1.870 1.00 0.19 O ATOM 339 CB LYS A 358 -16.576 1.028 -1.438 1.00 0.18 C ATOM 340 CG LYS A 358 -17.851 1.651 -1.702 1.00 0.24 C ATOM 341 CD LYS A 358 -17.682 3.093 -1.512 1.00 0.28 C ATOM 342 CE LYS A 358 -17.019 3.683 -2.707 1.00 0.42 C ATOM 343 NZ LYS A 358 -17.264 5.140 -2.853 1.00 0.47 N1+ ATOM 0 H LYS A 358 -15.716 -1.714 -1.476 1.00 0.12 H new ATOM 0 HA LYS A 358 -16.790 0.164 0.438 1.00 0.14 H new ATOM 0 HB2 LYS A 358 -15.919 1.744 -0.944 1.00 0.18 H new ATOM 0 HB3 LYS A 358 -16.102 0.759 -2.382 1.00 0.18 H new ATOM 0 HG2 LYS A 358 -18.181 1.434 -2.718 1.00 0.24 H new ATOM 0 HG3 LYS A 358 -18.615 1.262 -1.029 1.00 0.24 H new ATOM 0 HD2 LYS A 358 -18.652 3.564 -1.352 1.00 0.28 H new ATOM 0 HD3 LYS A 358 -17.084 3.284 -0.621 1.00 0.28 H new ATOM 0 HE2 LYS A 358 -15.945 3.506 -2.643 1.00 0.42 H new ATOM 0 HE3 LYS A 358 -17.373 3.170 -3.601 1.00 0.42 H new ATOM 0 HZ1 LYS A 358 -16.777 5.491 -3.702 1.00 0.47 H new ATOM 0 HZ2 LYS A 358 -18.286 5.313 -2.944 1.00 0.47 H new ATOM 0 HZ3 LYS A 358 -16.902 5.639 -2.015 1.00 0.47 H new ATOM 357 N ASP A 359 -18.945 -0.757 -0.146 1.00 0.23 N ATOM 358 CA ASP A 359 -20.224 -1.403 -0.317 1.00 0.30 C ATOM 359 C ASP A 359 -20.081 -2.850 0.045 1.00 0.27 C ATOM 360 O ASP A 359 -20.928 -3.691 -0.248 1.00 0.33 O ATOM 361 CB ASP A 359 -20.701 -1.229 -1.747 1.00 0.34 C ATOM 362 CG ASP A 359 -22.204 -1.072 -1.858 1.00 0.44 C ATOM 363 OD1 ASP A 359 -22.712 0.041 -1.606 1.00 0.49 O1- ATOM 364 OD2 ASP A 359 -22.885 -2.067 -2.183 1.00 0.60 O ATOM 0 H ASP A 359 -18.909 -0.119 0.649 1.00 0.23 H new ATOM 0 HA ASP A 359 -20.971 -0.951 0.335 1.00 0.30 H new ATOM 0 HB2 ASP A 359 -20.217 -0.354 -2.181 1.00 0.34 H new ATOM 0 HB3 ASP A 359 -20.387 -2.091 -2.336 1.00 0.34 H new ATOM 369 N GLY A 360 -18.977 -3.090 0.739 1.00 0.22 N ATOM 370 CA GLY A 360 -18.636 -4.397 1.204 1.00 0.21 C ATOM 371 C GLY A 360 -18.078 -5.249 0.104 1.00 0.19 C ATOM 372 O GLY A 360 -17.971 -6.470 0.206 1.00 0.23 O ATOM 0 H GLY A 360 -18.299 -2.370 0.989 1.00 0.22 H new ATOM 0 HA2 GLY A 360 -17.905 -4.318 2.009 1.00 0.21 H new ATOM 0 HA3 GLY A 360 -19.521 -4.877 1.623 1.00 0.21 H new ATOM 376 N LYS A 361 -17.687 -4.550 -0.913 1.00 0.16 N ATOM 377 CA LYS A 361 -17.329 -5.079 -2.185 1.00 0.17 C ATOM 378 C LYS A 361 -16.082 -4.342 -2.603 1.00 0.13 C ATOM 379 O LYS A 361 -15.702 -3.386 -1.937 1.00 0.15 O ATOM 380 CB LYS A 361 -18.525 -4.786 -3.084 1.00 0.22 C ATOM 381 CG LYS A 361 -18.232 -4.479 -4.522 1.00 0.32 C ATOM 382 CD LYS A 361 -18.486 -5.655 -5.426 1.00 0.55 C ATOM 383 CE LYS A 361 -17.879 -6.896 -4.866 1.00 0.52 C ATOM 384 NZ LYS A 361 -18.000 -8.062 -5.780 1.00 0.68 N1+ ATOM 0 H LYS A 361 -17.605 -3.534 -0.873 1.00 0.16 H new ATOM 0 HA LYS A 361 -17.117 -6.148 -2.212 1.00 0.17 H new ATOM 0 HB2 LYS A 361 -19.194 -5.646 -3.050 1.00 0.22 H new ATOM 0 HB3 LYS A 361 -19.069 -3.942 -2.661 1.00 0.22 H new ATOM 0 HG2 LYS A 361 -18.847 -3.638 -4.843 1.00 0.32 H new ATOM 0 HG3 LYS A 361 -17.192 -4.168 -4.619 1.00 0.32 H new ATOM 0 HD2 LYS A 361 -19.559 -5.796 -5.554 1.00 0.55 H new ATOM 0 HD3 LYS A 361 -18.071 -5.456 -6.414 1.00 0.55 H new ATOM 0 HE2 LYS A 361 -16.825 -6.715 -4.653 1.00 0.52 H new ATOM 0 HE3 LYS A 361 -18.360 -7.133 -3.917 1.00 0.52 H new ATOM 0 HZ1 LYS A 361 -17.561 -8.896 -5.339 1.00 0.68 H new ATOM 0 HZ2 LYS A 361 -19.005 -8.256 -5.964 1.00 0.68 H new ATOM 0 HZ3 LYS A 361 -17.518 -7.851 -6.677 1.00 0.68 H new ATOM 398 N VAL A 362 -15.417 -4.742 -3.656 1.00 0.10 N ATOM 399 CA VAL A 362 -14.265 -3.976 -4.028 1.00 0.09 C ATOM 400 C VAL A 362 -14.552 -3.072 -5.160 1.00 0.09 C ATOM 401 O VAL A 362 -15.242 -3.380 -6.134 1.00 0.11 O ATOM 402 CB VAL A 362 -12.976 -4.744 -4.310 1.00 0.18 C ATOM 403 CG1 VAL A 362 -12.701 -5.763 -3.250 1.00 0.53 C ATOM 404 CG2 VAL A 362 -12.962 -5.350 -5.676 1.00 0.52 C ATOM 0 H VAL A 362 -15.638 -5.548 -4.241 1.00 0.10 H new ATOM 0 HA VAL A 362 -14.062 -3.415 -3.116 1.00 0.09 H new ATOM 0 HB VAL A 362 -12.165 -4.017 -4.284 1.00 0.18 H new ATOM 0 HG11 VAL A 362 -11.776 -6.290 -3.483 1.00 0.53 H new ATOM 0 HG12 VAL A 362 -12.602 -5.266 -2.285 1.00 0.53 H new ATOM 0 HG13 VAL A 362 -13.524 -6.476 -3.208 1.00 0.53 H new ATOM 0 HG21 VAL A 362 -12.024 -5.885 -5.827 1.00 0.52 H new ATOM 0 HG22 VAL A 362 -13.796 -6.045 -5.774 1.00 0.52 H new ATOM 0 HG23 VAL A 362 -13.055 -4.563 -6.424 1.00 0.52 H new ATOM 414 N ALA A 363 -14.017 -1.937 -4.941 1.00 0.09 N ATOM 415 CA ALA A 363 -14.041 -0.855 -5.828 1.00 0.10 C ATOM 416 C ALA A 363 -12.814 -0.909 -6.675 1.00 0.10 C ATOM 417 O ALA A 363 -12.760 -0.379 -7.784 1.00 0.12 O ATOM 418 CB ALA A 363 -14.005 0.371 -4.988 1.00 0.11 C ATOM 0 H ALA A 363 -13.517 -1.729 -4.077 1.00 0.09 H new ATOM 0 HA ALA A 363 -14.921 -0.871 -6.471 1.00 0.10 H new ATOM 0 HB1 ALA A 363 -14.022 1.252 -5.629 1.00 0.11 H new ATOM 0 HB2 ALA A 363 -14.873 0.386 -4.328 1.00 0.11 H new ATOM 0 HB3 ALA A 363 -13.094 0.375 -4.389 1.00 0.11 H new ATOM 424 N LEU A 364 -11.818 -1.570 -6.117 1.00 0.08 N ATOM 425 CA LEU A 364 -10.529 -1.588 -6.703 1.00 0.07 C ATOM 426 C LEU A 364 -9.815 -2.847 -6.273 1.00 0.06 C ATOM 427 O LEU A 364 -10.136 -3.425 -5.236 1.00 0.08 O ATOM 428 CB LEU A 364 -9.742 -0.344 -6.320 1.00 0.06 C ATOM 429 CG LEU A 364 -8.780 0.070 -7.404 1.00 0.07 C ATOM 430 CD1 LEU A 364 -9.459 0.899 -8.458 1.00 0.07 C ATOM 431 CD2 LEU A 364 -7.593 0.814 -6.885 1.00 0.06 C ATOM 0 H LEU A 364 -11.898 -2.101 -5.250 1.00 0.08 H new ATOM 0 HA LEU A 364 -10.620 -1.584 -7.789 1.00 0.07 H new ATOM 0 HB2 LEU A 364 -10.433 0.474 -6.116 1.00 0.06 H new ATOM 0 HB3 LEU A 364 -9.191 -0.533 -5.399 1.00 0.06 H new ATOM 0 HG LEU A 364 -8.425 -0.862 -7.843 1.00 0.07 H new ATOM 0 HD11 LEU A 364 -8.735 1.179 -9.223 1.00 0.07 H new ATOM 0 HD12 LEU A 364 -10.263 0.321 -8.914 1.00 0.07 H new ATOM 0 HD13 LEU A 364 -9.872 1.799 -8.003 1.00 0.07 H new ATOM 0 HD21 LEU A 364 -6.940 1.083 -7.716 1.00 0.06 H new ATOM 0 HD22 LEU A 364 -7.925 1.719 -6.376 1.00 0.06 H new ATOM 0 HD23 LEU A 364 -7.047 0.183 -6.184 1.00 0.06 H new ATOM 443 N GLU A 365 -8.875 -3.274 -7.082 1.00 0.07 N ATOM 444 CA GLU A 365 -8.152 -4.525 -6.872 1.00 0.07 C ATOM 445 C GLU A 365 -6.942 -4.553 -7.751 1.00 0.07 C ATOM 446 O GLU A 365 -7.048 -4.453 -8.974 1.00 0.09 O ATOM 447 CB GLU A 365 -8.968 -5.768 -7.211 1.00 0.09 C ATOM 448 CG GLU A 365 -10.354 -5.483 -7.757 1.00 0.22 C ATOM 449 CD GLU A 365 -10.859 -6.581 -8.665 1.00 0.26 C ATOM 450 OE1 GLU A 365 -11.264 -7.644 -8.146 1.00 0.61 O ATOM 451 OE2 GLU A 365 -10.851 -6.394 -9.900 1.00 0.60 O1- ATOM 0 H GLU A 365 -8.581 -2.765 -7.915 1.00 0.07 H new ATOM 0 HA GLU A 365 -7.906 -4.551 -5.811 1.00 0.07 H new ATOM 0 HB2 GLU A 365 -8.418 -6.359 -7.943 1.00 0.09 H new ATOM 0 HB3 GLU A 365 -9.064 -6.380 -6.314 1.00 0.09 H new ATOM 0 HG2 GLU A 365 -11.048 -5.356 -6.926 1.00 0.22 H new ATOM 0 HG3 GLU A 365 -10.338 -4.542 -8.306 1.00 0.22 H new ATOM 458 N THR A 366 -5.797 -4.689 -7.156 1.00 0.06 N ATOM 459 CA THR A 366 -4.613 -4.840 -7.924 1.00 0.06 C ATOM 460 C THR A 366 -3.602 -5.698 -7.231 1.00 0.06 C ATOM 461 O THR A 366 -3.708 -6.009 -6.056 1.00 0.07 O ATOM 462 CB THR A 366 -4.039 -3.474 -8.268 1.00 0.07 C ATOM 463 OG1 THR A 366 -2.803 -3.597 -8.959 1.00 0.09 O ATOM 464 CG2 THR A 366 -3.859 -2.674 -7.011 1.00 0.07 C ATOM 0 H THR A 366 -5.663 -4.698 -6.145 1.00 0.06 H new ATOM 0 HA THR A 366 -4.873 -5.353 -8.850 1.00 0.06 H new ATOM 0 HB THR A 366 -4.738 -2.959 -8.927 1.00 0.07 H new ATOM 0 HG1 THR A 366 -2.965 -3.954 -9.857 1.00 0.09 H new ATOM 0 HG21 THR A 366 -3.448 -1.695 -7.258 1.00 0.07 H new ATOM 0 HG22 THR A 366 -4.823 -2.548 -6.518 1.00 0.07 H new ATOM 0 HG23 THR A 366 -3.175 -3.196 -6.342 1.00 0.07 H new ATOM 472 N ASP A 367 -2.646 -6.077 -8.007 1.00 0.07 N ATOM 473 CA ASP A 367 -1.528 -6.835 -7.587 1.00 0.10 C ATOM 474 C ASP A 367 -0.512 -5.871 -7.063 1.00 0.10 C ATOM 475 O ASP A 367 -0.379 -4.759 -7.576 1.00 0.11 O ATOM 476 CB ASP A 367 -0.999 -7.616 -8.778 1.00 0.15 C ATOM 477 CG ASP A 367 -0.898 -6.809 -10.072 1.00 1.14 C ATOM 478 OD1 ASP A 367 -1.890 -6.152 -10.458 1.00 1.88 O ATOM 479 OD2 ASP A 367 0.147 -6.884 -10.747 1.00 1.54 O1- ATOM 0 H ASP A 367 -2.626 -5.853 -9.002 1.00 0.07 H new ATOM 0 HA ASP A 367 -1.782 -7.549 -6.804 1.00 0.10 H new ATOM 0 HB2 ASP A 367 -0.012 -8.007 -8.531 1.00 0.15 H new ATOM 0 HB3 ASP A 367 -1.648 -8.475 -8.950 1.00 0.15 H new ATOM 484 N ILE A 368 0.128 -6.265 -5.994 1.00 0.09 N ATOM 485 CA ILE A 368 1.070 -5.411 -5.312 1.00 0.09 C ATOM 486 C ILE A 368 2.270 -6.182 -4.812 1.00 0.09 C ATOM 487 O ILE A 368 2.437 -7.360 -5.108 1.00 0.11 O ATOM 488 CB ILE A 368 0.418 -4.710 -4.122 1.00 0.08 C ATOM 489 CG1 ILE A 368 -0.250 -5.750 -3.242 1.00 0.08 C ATOM 490 CG2 ILE A 368 -0.565 -3.653 -4.588 1.00 0.08 C ATOM 491 CD1 ILE A 368 0.534 -6.074 -1.997 1.00 0.11 C ATOM 0 H ILE A 368 0.013 -7.186 -5.570 1.00 0.09 H new ATOM 0 HA ILE A 368 1.398 -4.673 -6.044 1.00 0.09 H new ATOM 0 HB ILE A 368 1.180 -4.194 -3.538 1.00 0.08 H new ATOM 0 HG12 ILE A 368 -1.239 -5.392 -2.956 1.00 0.08 H new ATOM 0 HG13 ILE A 368 -0.396 -6.663 -3.819 1.00 0.08 H new ATOM 0 HG21 ILE A 368 -1.016 -3.168 -3.722 1.00 0.08 H new ATOM 0 HG22 ILE A 368 -0.042 -2.909 -5.189 1.00 0.08 H new ATOM 0 HG23 ILE A 368 -1.345 -4.121 -5.189 1.00 0.08 H new ATOM 0 HD11 ILE A 368 -0.001 -6.824 -1.415 1.00 0.11 H new ATOM 0 HD12 ILE A 368 1.514 -6.462 -2.275 1.00 0.11 H new ATOM 0 HD13 ILE A 368 0.657 -5.171 -1.399 1.00 0.11 H new ATOM 503 N VAL A 369 3.088 -5.502 -4.036 1.00 0.09 N ATOM 504 CA VAL A 369 4.235 -6.116 -3.398 1.00 0.09 C ATOM 505 C VAL A 369 4.649 -5.298 -2.187 1.00 0.09 C ATOM 506 O VAL A 369 4.933 -4.105 -2.286 1.00 0.11 O ATOM 507 CB VAL A 369 5.419 -6.380 -4.375 1.00 0.10 C ATOM 508 CG1 VAL A 369 5.386 -5.463 -5.570 1.00 0.10 C ATOM 509 CG2 VAL A 369 6.758 -6.266 -3.675 1.00 0.12 C ATOM 0 H VAL A 369 2.977 -4.509 -3.830 1.00 0.09 H new ATOM 0 HA VAL A 369 3.933 -7.107 -3.060 1.00 0.09 H new ATOM 0 HB VAL A 369 5.297 -7.403 -4.730 1.00 0.10 H new ATOM 0 HG11 VAL A 369 6.231 -5.685 -6.222 1.00 0.10 H new ATOM 0 HG12 VAL A 369 4.456 -5.613 -6.118 1.00 0.10 H new ATOM 0 HG13 VAL A 369 5.448 -4.427 -5.236 1.00 0.10 H new ATOM 0 HG21 VAL A 369 7.559 -6.457 -4.389 1.00 0.12 H new ATOM 0 HG22 VAL A 369 6.869 -5.263 -3.264 1.00 0.12 H new ATOM 0 HG23 VAL A 369 6.810 -6.997 -2.868 1.00 0.12 H new ATOM 519 N SER A 370 4.600 -5.944 -1.033 1.00 0.09 N ATOM 520 CA SER A 370 4.685 -5.253 0.243 1.00 0.10 C ATOM 521 C SER A 370 5.467 -6.037 1.289 1.00 0.10 C ATOM 522 O SER A 370 5.375 -7.256 1.355 1.00 0.10 O ATOM 523 CB SER A 370 3.284 -5.030 0.751 1.00 0.12 C ATOM 524 OG SER A 370 3.292 -4.653 2.106 1.00 0.70 O ATOM 0 H SER A 370 4.501 -6.956 -0.955 1.00 0.09 H new ATOM 0 HA SER A 370 5.214 -4.314 0.080 1.00 0.10 H new ATOM 0 HB2 SER A 370 2.797 -4.256 0.158 1.00 0.12 H new ATOM 0 HB3 SER A 370 2.699 -5.942 0.627 1.00 0.12 H new ATOM 0 HG SER A 370 3.950 -3.940 2.243 1.00 0.70 H new ATOM 530 N GLY A 371 6.176 -5.315 2.143 1.00 0.09 N ATOM 531 CA GLY A 371 6.631 -5.896 3.385 1.00 0.10 C ATOM 532 C GLY A 371 7.755 -6.922 3.303 1.00 0.11 C ATOM 533 O GLY A 371 7.616 -7.972 3.917 1.00 0.13 O ATOM 0 H GLY A 371 6.443 -4.341 1.998 1.00 0.09 H new ATOM 0 HA2 GLY A 371 6.960 -5.086 4.036 1.00 0.10 H new ATOM 0 HA3 GLY A 371 5.777 -6.369 3.870 1.00 0.10 H new ATOM 537 N LYS A 372 8.831 -6.667 2.543 1.00 0.11 N ATOM 538 CA LYS A 372 9.877 -7.646 2.334 1.00 0.14 C ATOM 539 C LYS A 372 10.293 -8.287 3.640 1.00 0.16 C ATOM 540 O LYS A 372 10.280 -7.639 4.678 1.00 0.19 O ATOM 541 CB LYS A 372 11.081 -7.013 1.673 1.00 0.17 C ATOM 542 CG LYS A 372 11.684 -5.856 2.380 1.00 0.22 C ATOM 543 CD LYS A 372 13.148 -5.999 2.199 1.00 0.30 C ATOM 544 CE LYS A 372 13.844 -4.686 2.108 1.00 0.47 C ATOM 545 NZ LYS A 372 15.277 -4.849 1.739 1.00 0.48 N1+ ATOM 0 H LYS A 372 8.988 -5.780 2.065 1.00 0.11 H new ATOM 0 HA LYS A 372 9.476 -8.418 1.678 1.00 0.14 H new ATOM 0 HB2 LYS A 372 11.848 -7.778 1.553 1.00 0.17 H new ATOM 0 HB3 LYS A 372 10.793 -6.691 0.672 1.00 0.17 H new ATOM 0 HG2 LYS A 372 11.328 -4.913 1.965 1.00 0.22 H new ATOM 0 HG3 LYS A 372 11.417 -5.860 3.437 1.00 0.22 H new ATOM 0 HD2 LYS A 372 13.560 -6.567 3.033 1.00 0.30 H new ATOM 0 HD3 LYS A 372 13.344 -6.574 1.294 1.00 0.30 H new ATOM 0 HE2 LYS A 372 13.346 -4.060 1.367 1.00 0.47 H new ATOM 0 HE3 LYS A 372 13.771 -4.168 3.064 1.00 0.47 H new ATOM 0 HZ1 LYS A 372 15.730 -3.914 1.685 1.00 0.48 H new ATOM 0 HZ2 LYS A 372 15.757 -5.425 2.459 1.00 0.48 H new ATOM 0 HZ3 LYS A 372 15.346 -5.321 0.815 1.00 0.48 H new ATOM 559 N PRO A 373 10.649 -9.561 3.576 1.00 0.18 N ATOM 560 CA PRO A 373 11.005 -10.406 4.722 1.00 0.20 C ATOM 561 C PRO A 373 11.723 -9.686 5.885 1.00 0.20 C ATOM 562 O PRO A 373 11.529 -10.019 7.053 1.00 0.22 O ATOM 563 CB PRO A 373 11.902 -11.406 4.032 1.00 0.23 C ATOM 564 CG PRO A 373 11.158 -11.671 2.783 1.00 0.22 C ATOM 565 CD PRO A 373 10.749 -10.312 2.324 1.00 0.19 C ATOM 0 HA PRO A 373 10.135 -10.811 5.239 1.00 0.20 H new ATOM 0 HB2 PRO A 373 12.894 -10.999 3.838 1.00 0.23 H new ATOM 0 HB3 PRO A 373 12.039 -12.310 4.626 1.00 0.23 H new ATOM 0 HG2 PRO A 373 11.782 -12.173 2.044 1.00 0.22 H new ATOM 0 HG3 PRO A 373 10.294 -12.312 2.959 1.00 0.22 H new ATOM 0 HD2 PRO A 373 11.485 -9.875 1.648 1.00 0.19 H new ATOM 0 HD3 PRO A 373 9.799 -10.335 1.789 1.00 0.19 H new ATOM 573 N THR A 374 12.533 -8.684 5.558 1.00 0.20 N ATOM 574 CA THR A 374 13.295 -7.949 6.549 1.00 0.23 C ATOM 575 C THR A 374 12.409 -6.959 7.291 1.00 0.20 C ATOM 576 O THR A 374 12.536 -6.770 8.500 1.00 0.23 O ATOM 577 CB THR A 374 14.437 -7.176 5.868 1.00 0.28 C ATOM 578 OG1 THR A 374 13.973 -5.911 5.361 1.00 0.28 O ATOM 579 CG2 THR A 374 14.984 -7.987 4.718 1.00 0.30 C ATOM 0 H THR A 374 12.676 -8.363 4.600 1.00 0.20 H new ATOM 0 HA THR A 374 13.701 -8.668 7.260 1.00 0.23 H new ATOM 0 HB THR A 374 15.215 -6.998 6.611 1.00 0.28 H new ATOM 0 HG1 THR A 374 14.091 -5.221 6.047 1.00 0.28 H new ATOM 0 HG21 THR A 374 15.793 -7.437 4.237 1.00 0.30 H new ATOM 0 HG22 THR A 374 15.364 -8.938 5.092 1.00 0.30 H new ATOM 0 HG23 THR A 374 14.191 -8.172 3.994 1.00 0.30 H new ATOM 587 N THR A 375 11.511 -6.331 6.548 1.00 0.18 N ATOM 588 CA THR A 375 10.631 -5.318 7.094 1.00 0.18 C ATOM 589 C THR A 375 9.234 -5.452 6.502 1.00 0.14 C ATOM 590 O THR A 375 8.803 -4.672 5.651 1.00 0.13 O ATOM 591 CB THR A 375 11.168 -3.897 6.876 1.00 0.23 C ATOM 592 OG1 THR A 375 12.568 -3.845 7.191 1.00 0.30 O ATOM 593 CG2 THR A 375 10.412 -2.913 7.752 1.00 0.27 C ATOM 0 H THR A 375 11.374 -6.511 5.553 1.00 0.18 H new ATOM 0 HA THR A 375 10.583 -5.483 8.170 1.00 0.18 H new ATOM 0 HB THR A 375 11.026 -3.627 5.830 1.00 0.23 H new ATOM 0 HG1 THR A 375 12.798 -2.949 7.514 1.00 0.30 H new ATOM 0 HG21 THR A 375 10.801 -1.908 7.590 1.00 0.27 H new ATOM 0 HG22 THR A 375 9.353 -2.938 7.497 1.00 0.27 H new ATOM 0 HG23 THR A 375 10.539 -3.186 8.800 1.00 0.27 H new ATOM 601 N PRO A 376 8.551 -6.489 6.950 1.00 0.13 N ATOM 602 CA PRO A 376 7.214 -6.874 6.505 1.00 0.11 C ATOM 603 C PRO A 376 6.121 -5.911 6.923 1.00 0.11 C ATOM 604 O PRO A 376 6.290 -5.067 7.807 1.00 0.15 O ATOM 605 CB PRO A 376 6.996 -8.211 7.195 1.00 0.14 C ATOM 606 CG PRO A 376 8.344 -8.658 7.557 1.00 0.16 C ATOM 607 CD PRO A 376 9.068 -7.425 7.924 1.00 0.15 C ATOM 0 HA PRO A 376 7.161 -6.895 5.416 1.00 0.11 H new ATOM 0 HB2 PRO A 376 6.363 -8.105 8.076 1.00 0.14 H new ATOM 0 HB3 PRO A 376 6.505 -8.924 6.533 1.00 0.14 H new ATOM 0 HG2 PRO A 376 8.317 -9.362 8.389 1.00 0.16 H new ATOM 0 HG3 PRO A 376 8.828 -9.167 6.724 1.00 0.16 H new ATOM 0 HD2 PRO A 376 8.855 -7.113 8.946 1.00 0.15 H new ATOM 0 HD3 PRO A 376 10.149 -7.544 7.845 1.00 0.15 H new ATOM 615 N THR A 377 4.999 -6.061 6.244 1.00 0.08 N ATOM 616 CA THR A 377 3.803 -5.318 6.532 1.00 0.08 C ATOM 617 C THR A 377 3.133 -5.844 7.794 1.00 0.08 C ATOM 618 O THR A 377 3.199 -7.030 8.114 1.00 0.11 O ATOM 619 CB THR A 377 2.819 -5.438 5.363 1.00 0.09 C ATOM 620 OG1 THR A 377 3.437 -6.179 4.303 1.00 0.12 O ATOM 621 CG2 THR A 377 2.395 -4.083 4.843 1.00 0.11 C ATOM 0 H THR A 377 4.899 -6.714 5.467 1.00 0.08 H new ATOM 0 HA THR A 377 4.080 -4.274 6.681 1.00 0.08 H new ATOM 0 HB THR A 377 1.928 -5.952 5.723 1.00 0.09 H new ATOM 0 HG1 THR A 377 3.491 -5.619 3.501 1.00 0.12 H new ATOM 0 HG21 THR A 377 1.698 -4.213 4.015 1.00 0.11 H new ATOM 0 HG22 THR A 377 1.910 -3.522 5.642 1.00 0.11 H new ATOM 0 HG23 THR A 377 3.272 -3.536 4.497 1.00 0.11 H new ATOM 629 N PRO A 378 2.431 -4.943 8.473 1.00 0.07 N ATOM 630 CA PRO A 378 1.857 -5.159 9.793 1.00 0.07 C ATOM 631 C PRO A 378 0.574 -5.973 9.776 1.00 0.07 C ATOM 632 O PRO A 378 0.440 -6.933 10.534 1.00 0.09 O ATOM 633 CB PRO A 378 1.544 -3.746 10.280 1.00 0.08 C ATOM 634 CG PRO A 378 1.882 -2.814 9.168 1.00 0.09 C ATOM 635 CD PRO A 378 2.115 -3.630 7.958 1.00 0.08 C ATOM 0 HA PRO A 378 2.545 -5.724 10.422 1.00 0.07 H new ATOM 0 HB2 PRO A 378 0.492 -3.656 10.551 1.00 0.08 H new ATOM 0 HB3 PRO A 378 2.124 -3.508 11.171 1.00 0.08 H new ATOM 0 HG2 PRO A 378 1.071 -2.105 9.002 1.00 0.09 H new ATOM 0 HG3 PRO A 378 2.769 -2.231 9.413 1.00 0.09 H new ATOM 0 HD2 PRO A 378 1.233 -3.655 7.318 1.00 0.08 H new ATOM 0 HD3 PRO A 378 2.933 -3.230 7.359 1.00 0.08 H new ATOM 643 N ALA A 379 -0.365 -5.567 8.919 1.00 0.06 N ATOM 644 CA ALA A 379 -1.675 -6.195 8.822 1.00 0.07 C ATOM 645 C ALA A 379 -2.545 -5.973 10.050 1.00 0.07 C ATOM 646 O ALA A 379 -2.184 -6.316 11.176 1.00 0.09 O ATOM 647 CB ALA A 379 -1.527 -7.650 8.475 1.00 0.08 C ATOM 0 H ALA A 379 -0.233 -4.790 8.272 1.00 0.06 H new ATOM 0 HA ALA A 379 -2.212 -5.703 8.012 1.00 0.07 H new ATOM 0 HB1 ALA A 379 -2.513 -8.109 8.405 1.00 0.08 H new ATOM 0 HB2 ALA A 379 -1.014 -7.745 7.518 1.00 0.08 H new ATOM 0 HB3 ALA A 379 -0.947 -8.152 9.250 1.00 0.08 H new ATOM 653 N GLY A 380 -3.704 -5.379 9.797 1.00 0.08 N ATOM 654 CA GLY A 380 -4.632 -5.046 10.848 1.00 0.10 C ATOM 655 C GLY A 380 -5.677 -4.074 10.372 1.00 0.10 C ATOM 656 O GLY A 380 -6.348 -4.319 9.370 1.00 0.11 O ATOM 0 H GLY A 380 -4.018 -5.120 8.862 1.00 0.08 H new ATOM 0 HA2 GLY A 380 -5.115 -5.954 11.209 1.00 0.10 H new ATOM 0 HA3 GLY A 380 -4.090 -4.616 11.691 1.00 0.10 H new ATOM 660 N VAL A 381 -5.784 -2.962 11.069 1.00 0.11 N ATOM 661 CA VAL A 381 -6.734 -1.935 10.741 1.00 0.12 C ATOM 662 C VAL A 381 -6.010 -0.606 10.596 1.00 0.12 C ATOM 663 O VAL A 381 -5.498 -0.029 11.559 1.00 0.21 O ATOM 664 CB VAL A 381 -7.853 -1.867 11.793 1.00 0.16 C ATOM 665 CG1 VAL A 381 -7.321 -1.531 13.180 1.00 0.89 C ATOM 666 CG2 VAL A 381 -8.948 -0.894 11.370 1.00 0.87 C ATOM 0 H VAL A 381 -5.208 -2.750 11.883 1.00 0.11 H new ATOM 0 HA VAL A 381 -7.211 -2.172 9.790 1.00 0.12 H new ATOM 0 HB VAL A 381 -8.292 -2.863 11.855 1.00 0.16 H new ATOM 0 HG11 VAL A 381 -8.149 -1.494 13.888 1.00 0.89 H new ATOM 0 HG12 VAL A 381 -6.610 -2.296 13.492 1.00 0.89 H new ATOM 0 HG13 VAL A 381 -6.823 -0.562 13.154 1.00 0.89 H new ATOM 0 HG21 VAL A 381 -9.726 -0.867 12.133 1.00 0.87 H new ATOM 0 HG22 VAL A 381 -8.523 0.102 11.250 1.00 0.87 H new ATOM 0 HG23 VAL A 381 -9.380 -1.221 10.424 1.00 0.87 H new ATOM 676 N PHE A 382 -5.925 -0.157 9.372 1.00 0.10 N ATOM 677 CA PHE A 382 -5.106 0.969 9.029 1.00 0.10 C ATOM 678 C PHE A 382 -5.985 2.119 8.569 1.00 0.09 C ATOM 679 O PHE A 382 -7.126 1.893 8.191 1.00 0.11 O ATOM 680 CB PHE A 382 -4.216 0.523 7.889 1.00 0.16 C ATOM 681 CG PHE A 382 -3.313 -0.610 8.239 1.00 0.11 C ATOM 682 CD1 PHE A 382 -2.159 -0.410 8.977 1.00 0.14 C ATOM 683 CD2 PHE A 382 -3.627 -1.889 7.817 1.00 0.08 C ATOM 684 CE1 PHE A 382 -1.337 -1.472 9.279 1.00 0.15 C ATOM 685 CE2 PHE A 382 -2.816 -2.946 8.119 1.00 0.08 C ATOM 686 CZ PHE A 382 -1.671 -2.741 8.849 1.00 0.10 C ATOM 0 H PHE A 382 -6.425 -0.566 8.583 1.00 0.10 H new ATOM 0 HA PHE A 382 -4.519 1.306 9.883 1.00 0.10 H new ATOM 0 HB2 PHE A 382 -4.841 0.230 7.046 1.00 0.16 H new ATOM 0 HB3 PHE A 382 -3.612 1.368 7.560 1.00 0.16 H new ATOM 0 HD1 PHE A 382 -1.903 0.583 9.317 1.00 0.14 H new ATOM 0 HD2 PHE A 382 -4.525 -2.054 7.241 1.00 0.08 H new ATOM 0 HE1 PHE A 382 -0.434 -1.313 9.850 1.00 0.15 H new ATOM 0 HE2 PHE A 382 -3.075 -3.940 7.785 1.00 0.08 H new ATOM 0 HZ PHE A 382 -1.029 -3.576 9.088 1.00 0.10 H new ATOM 696 N TYR A 383 -5.469 3.339 8.602 1.00 0.08 N ATOM 697 CA TYR A 383 -6.221 4.496 8.119 1.00 0.09 C ATOM 698 C TYR A 383 -5.309 5.510 7.491 1.00 0.09 C ATOM 699 O TYR A 383 -4.280 5.847 8.071 1.00 0.11 O ATOM 700 CB TYR A 383 -6.988 5.219 9.222 1.00 0.12 C ATOM 701 CG TYR A 383 -7.975 4.373 9.998 1.00 0.25 C ATOM 702 CD1 TYR A 383 -9.149 3.917 9.417 1.00 0.39 C ATOM 703 CD2 TYR A 383 -7.732 4.045 11.326 1.00 0.53 C ATOM 704 CE1 TYR A 383 -10.053 3.160 10.134 1.00 0.51 C ATOM 705 CE2 TYR A 383 -8.630 3.284 12.050 1.00 0.64 C ATOM 706 CZ TYR A 383 -9.788 2.846 11.450 1.00 0.54 C ATOM 707 OH TYR A 383 -10.691 2.096 12.171 1.00 0.69 O ATOM 0 H TYR A 383 -4.537 3.557 8.956 1.00 0.08 H new ATOM 0 HA TYR A 383 -6.927 4.088 7.395 1.00 0.09 H new ATOM 0 HB2 TYR A 383 -6.268 5.640 9.924 1.00 0.12 H new ATOM 0 HB3 TYR A 383 -7.526 6.056 8.777 1.00 0.12 H new ATOM 0 HD1 TYR A 383 -9.359 4.159 8.386 1.00 0.39 H new ATOM 0 HD2 TYR A 383 -6.826 4.391 11.801 1.00 0.53 H new ATOM 0 HE1 TYR A 383 -10.964 2.815 9.667 1.00 0.51 H new ATOM 0 HE2 TYR A 383 -8.424 3.035 13.080 1.00 0.64 H new ATOM 0 HH TYR A 383 -10.353 1.963 13.081 1.00 0.69 H new ATOM 717 N VAL A 384 -5.698 6.042 6.351 1.00 0.09 N ATOM 718 CA VAL A 384 -4.907 7.075 5.735 1.00 0.10 C ATOM 719 C VAL A 384 -5.057 8.384 6.495 1.00 0.11 C ATOM 720 O VAL A 384 -6.163 8.897 6.687 1.00 0.13 O ATOM 721 CB VAL A 384 -5.227 7.264 4.232 1.00 0.11 C ATOM 722 CG1 VAL A 384 -6.674 6.962 3.938 1.00 0.12 C ATOM 723 CG2 VAL A 384 -4.895 8.670 3.779 1.00 0.14 C ATOM 0 H VAL A 384 -6.543 5.779 5.843 1.00 0.09 H new ATOM 0 HA VAL A 384 -3.867 6.753 5.788 1.00 0.10 H new ATOM 0 HB VAL A 384 -4.606 6.560 3.678 1.00 0.11 H new ATOM 0 HG11 VAL A 384 -6.867 7.104 2.875 1.00 0.12 H new ATOM 0 HG12 VAL A 384 -6.893 5.930 4.212 1.00 0.12 H new ATOM 0 HG13 VAL A 384 -7.310 7.633 4.515 1.00 0.12 H new ATOM 0 HG21 VAL A 384 -5.129 8.776 2.720 1.00 0.14 H new ATOM 0 HG22 VAL A 384 -5.483 9.386 4.354 1.00 0.14 H new ATOM 0 HG23 VAL A 384 -3.834 8.862 3.937 1.00 0.14 H new ATOM 733 N TRP A 385 -3.934 8.905 6.954 1.00 0.12 N ATOM 734 CA TRP A 385 -3.938 10.124 7.732 1.00 0.14 C ATOM 735 C TRP A 385 -3.363 11.288 6.963 1.00 0.16 C ATOM 736 O TRP A 385 -3.239 12.399 7.480 1.00 0.19 O ATOM 737 CB TRP A 385 -3.172 9.950 9.019 1.00 0.16 C ATOM 738 CG TRP A 385 -1.836 9.324 8.827 1.00 0.15 C ATOM 739 CD1 TRP A 385 -1.570 7.998 8.732 1.00 0.14 C ATOM 740 CD2 TRP A 385 -0.586 9.999 8.710 1.00 0.15 C ATOM 741 NE1 TRP A 385 -0.217 7.800 8.577 1.00 0.14 N ATOM 742 CE2 TRP A 385 0.408 9.019 8.562 1.00 0.15 C ATOM 743 CE3 TRP A 385 -0.217 11.338 8.721 1.00 0.17 C ATOM 744 CZ2 TRP A 385 1.755 9.344 8.428 1.00 0.15 C ATOM 745 CZ3 TRP A 385 1.110 11.663 8.588 1.00 0.18 C ATOM 746 CH2 TRP A 385 2.089 10.671 8.443 1.00 0.17 C ATOM 0 H TRP A 385 -3.010 8.502 6.800 1.00 0.12 H new ATOM 0 HA TRP A 385 -4.981 10.343 7.959 1.00 0.14 H new ATOM 0 HB2 TRP A 385 -3.045 10.923 9.493 1.00 0.16 H new ATOM 0 HB3 TRP A 385 -3.758 9.337 9.703 1.00 0.16 H new ATOM 0 HD1 TRP A 385 -2.311 7.213 8.772 1.00 0.14 H new ATOM 0 HE1 TRP A 385 0.244 6.895 8.488 1.00 0.14 H new ATOM 0 HE3 TRP A 385 -0.963 12.111 8.832 1.00 0.17 H new ATOM 0 HZ2 TRP A 385 2.508 8.578 8.316 1.00 0.15 H new ATOM 0 HZ3 TRP A 385 1.405 12.702 8.595 1.00 0.18 H new ATOM 0 HH2 TRP A 385 3.125 10.959 8.341 1.00 0.17 H new ATOM 757 N ASN A 386 -3.025 11.026 5.728 1.00 0.16 N ATOM 758 CA ASN A 386 -2.544 12.055 4.834 1.00 0.21 C ATOM 759 C ASN A 386 -2.597 11.585 3.403 1.00 0.20 C ATOM 760 O ASN A 386 -2.506 10.398 3.120 1.00 0.18 O ATOM 761 CB ASN A 386 -1.131 12.498 5.186 1.00 0.24 C ATOM 762 CG ASN A 386 -0.754 13.740 4.427 1.00 0.32 C ATOM 763 OD1 ASN A 386 -1.014 14.857 4.863 1.00 0.41 O ATOM 764 ND2 ASN A 386 -0.143 13.546 3.281 1.00 0.31 N ATOM 0 H ASN A 386 -3.074 10.097 5.311 1.00 0.16 H new ATOM 0 HA ASN A 386 -3.202 12.916 4.951 1.00 0.21 H new ATOM 0 HB2 ASN A 386 -1.061 12.686 6.257 1.00 0.24 H new ATOM 0 HB3 ASN A 386 -0.427 11.698 4.956 1.00 0.24 H new ATOM 0 HD21 ASN A 386 0.137 14.344 2.711 1.00 0.31 H new ATOM 0 HD22 ASN A 386 0.051 12.597 2.961 1.00 0.31 H new ATOM 771 N LYS A 387 -2.796 12.519 2.515 1.00 0.22 N ATOM 772 CA LYS A 387 -2.663 12.275 1.111 1.00 0.22 C ATOM 773 C LYS A 387 -1.437 12.970 0.599 1.00 0.19 C ATOM 774 O LYS A 387 -1.338 14.196 0.614 1.00 0.24 O ATOM 775 CB LYS A 387 -3.858 12.784 0.379 1.00 0.32 C ATOM 776 CG LYS A 387 -5.094 12.002 0.604 1.00 1.09 C ATOM 777 CD LYS A 387 -6.261 12.905 0.324 1.00 0.96 C ATOM 778 CE LYS A 387 -6.073 13.651 -0.973 1.00 0.57 C ATOM 779 NZ LYS A 387 -7.340 13.843 -1.725 1.00 0.67 N1+ ATOM 0 H LYS A 387 -3.057 13.477 2.750 1.00 0.22 H new ATOM 0 HA LYS A 387 -2.578 11.201 0.947 1.00 0.22 H new ATOM 0 HB2 LYS A 387 -4.038 13.817 0.676 1.00 0.32 H new ATOM 0 HB3 LYS A 387 -3.638 12.793 -0.689 1.00 0.32 H new ATOM 0 HG2 LYS A 387 -5.119 11.130 -0.049 1.00 1.09 H new ATOM 0 HG3 LYS A 387 -5.133 11.633 1.629 1.00 1.09 H new ATOM 0 HD2 LYS A 387 -7.177 12.316 0.279 1.00 0.96 H new ATOM 0 HD3 LYS A 387 -6.379 13.616 1.142 1.00 0.96 H new ATOM 0 HE2 LYS A 387 -5.631 14.625 -0.764 1.00 0.57 H new ATOM 0 HE3 LYS A 387 -5.365 13.107 -1.599 1.00 0.57 H new ATOM 0 HZ1 LYS A 387 -7.146 14.361 -2.606 1.00 0.67 H new ATOM 0 HZ2 LYS A 387 -7.753 12.916 -1.953 1.00 0.67 H new ATOM 0 HZ3 LYS A 387 -8.010 14.387 -1.144 1.00 0.67 H new ATOM 793 N GLU A 388 -0.513 12.189 0.173 1.00 0.18 N ATOM 794 CA GLU A 388 0.731 12.690 -0.315 1.00 0.18 C ATOM 795 C GLU A 388 0.886 12.437 -1.777 1.00 0.23 C ATOM 796 O GLU A 388 0.842 11.325 -2.258 1.00 0.38 O ATOM 797 CB GLU A 388 1.859 12.087 0.472 1.00 0.16 C ATOM 798 CG GLU A 388 2.569 13.134 1.272 1.00 0.16 C ATOM 799 CD GLU A 388 3.630 12.588 2.207 1.00 0.20 C ATOM 800 OE1 GLU A 388 4.659 12.084 1.707 1.00 0.32 O ATOM 801 OE2 GLU A 388 3.440 12.645 3.437 1.00 0.32 O1- ATOM 0 H GLU A 388 -0.594 11.172 0.151 1.00 0.18 H new ATOM 0 HA GLU A 388 0.751 13.772 -0.181 1.00 0.18 H new ATOM 0 HB2 GLU A 388 1.472 11.315 1.137 1.00 0.16 H new ATOM 0 HB3 GLU A 388 2.562 11.602 -0.205 1.00 0.16 H new ATOM 0 HG2 GLU A 388 3.034 13.845 0.589 1.00 0.16 H new ATOM 0 HG3 GLU A 388 1.835 13.688 1.857 1.00 0.16 H new ATOM 808 N GLU A 389 1.035 13.508 -2.477 1.00 0.17 N ATOM 809 CA GLU A 389 1.233 13.470 -3.872 1.00 0.19 C ATOM 810 C GLU A 389 2.571 14.011 -4.224 1.00 0.21 C ATOM 811 O GLU A 389 3.084 14.959 -3.623 1.00 0.26 O ATOM 812 CB GLU A 389 0.166 14.243 -4.582 1.00 0.21 C ATOM 813 CG GLU A 389 -1.118 13.497 -4.700 1.00 0.30 C ATOM 814 CD GLU A 389 -2.045 14.100 -5.733 1.00 1.06 C ATOM 815 OE1 GLU A 389 -1.638 14.202 -6.911 1.00 1.96 O1- ATOM 816 OE2 GLU A 389 -3.187 14.468 -5.378 1.00 1.18 O ATOM 0 H GLU A 389 1.021 14.448 -2.082 1.00 0.17 H new ATOM 0 HA GLU A 389 1.179 12.429 -4.191 1.00 0.19 H new ATOM 0 HB2 GLU A 389 -0.012 15.178 -4.050 1.00 0.21 H new ATOM 0 HB3 GLU A 389 0.519 14.506 -5.579 1.00 0.21 H new ATOM 0 HG2 GLU A 389 -0.909 12.460 -4.965 1.00 0.30 H new ATOM 0 HG3 GLU A 389 -1.618 13.484 -3.731 1.00 0.30 H new ATOM 823 N ASP A 390 3.100 13.353 -5.239 1.00 0.20 N ATOM 824 CA ASP A 390 4.428 13.605 -5.768 1.00 0.19 C ATOM 825 C ASP A 390 5.409 13.462 -4.634 1.00 0.21 C ATOM 826 O ASP A 390 6.508 14.010 -4.629 1.00 0.40 O ATOM 827 CB ASP A 390 4.488 14.986 -6.405 1.00 0.24 C ATOM 828 CG ASP A 390 5.834 15.308 -7.025 1.00 0.26 C ATOM 829 OD1 ASP A 390 6.258 14.581 -7.951 1.00 0.38 O1- ATOM 830 OD2 ASP A 390 6.484 16.277 -6.580 1.00 0.36 O ATOM 0 H ASP A 390 2.605 12.609 -5.731 1.00 0.20 H new ATOM 0 HA ASP A 390 4.679 12.889 -6.551 1.00 0.19 H new ATOM 0 HB2 ASP A 390 3.717 15.057 -7.172 1.00 0.24 H new ATOM 0 HB3 ASP A 390 4.256 15.736 -5.649 1.00 0.24 H new ATOM 835 N ALA A 391 4.985 12.644 -3.697 1.00 0.15 N ATOM 836 CA ALA A 391 5.595 12.542 -2.412 1.00 0.16 C ATOM 837 C ALA A 391 6.787 11.636 -2.423 1.00 0.15 C ATOM 838 O ALA A 391 7.065 10.915 -3.380 1.00 0.16 O ATOM 839 CB ALA A 391 4.566 12.048 -1.415 1.00 0.16 C ATOM 0 H ALA A 391 4.187 12.021 -3.821 1.00 0.15 H new ATOM 0 HA ALA A 391 5.952 13.531 -2.124 1.00 0.16 H new ATOM 0 HB1 ALA A 391 5.024 11.967 -0.429 1.00 0.16 H new ATOM 0 HB2 ALA A 391 3.734 12.751 -1.372 1.00 0.16 H new ATOM 0 HB3 ALA A 391 4.199 11.070 -1.726 1.00 0.16 H new ATOM 845 N THR A 392 7.479 11.694 -1.332 1.00 0.16 N ATOM 846 CA THR A 392 8.673 10.940 -1.149 1.00 0.17 C ATOM 847 C THR A 392 8.592 10.187 0.142 1.00 0.16 C ATOM 848 O THR A 392 8.721 10.732 1.238 1.00 0.18 O ATOM 849 CB THR A 392 9.930 11.803 -1.160 1.00 0.20 C ATOM 850 OG1 THR A 392 10.201 12.264 -2.491 1.00 0.27 O ATOM 851 CG2 THR A 392 11.110 10.992 -0.632 1.00 0.22 C ATOM 0 H THR A 392 7.226 12.275 -0.533 1.00 0.16 H new ATOM 0 HA THR A 392 8.752 10.253 -1.992 1.00 0.17 H new ATOM 0 HB THR A 392 9.776 12.670 -0.518 1.00 0.20 H new ATOM 0 HG1 THR A 392 11.009 12.819 -2.487 1.00 0.27 H new ATOM 0 HG21 THR A 392 12.008 11.609 -0.640 1.00 0.22 H new ATOM 0 HG22 THR A 392 10.902 10.668 0.388 1.00 0.22 H new ATOM 0 HG23 THR A 392 11.264 10.119 -1.266 1.00 0.22 H new ATOM 859 N LEU A 393 8.316 8.942 -0.024 1.00 0.15 N ATOM 860 CA LEU A 393 8.296 7.998 1.031 1.00 0.16 C ATOM 861 C LEU A 393 9.676 7.718 1.477 1.00 0.17 C ATOM 862 O LEU A 393 10.627 7.932 0.743 1.00 0.18 O ATOM 863 CB LEU A 393 7.659 6.755 0.509 1.00 0.16 C ATOM 864 CG LEU A 393 6.157 6.816 0.409 1.00 0.19 C ATOM 865 CD1 LEU A 393 5.723 7.898 -0.558 1.00 0.16 C ATOM 866 CD2 LEU A 393 5.630 5.494 -0.050 1.00 0.24 C ATOM 0 H LEU A 393 8.090 8.540 -0.934 1.00 0.15 H new ATOM 0 HA LEU A 393 7.736 8.381 1.884 1.00 0.16 H new ATOM 0 HB2 LEU A 393 8.068 6.540 -0.478 1.00 0.16 H new ATOM 0 HB3 LEU A 393 7.934 5.922 1.156 1.00 0.16 H new ATOM 0 HG LEU A 393 5.756 7.052 1.395 1.00 0.19 H new ATOM 0 HD11 LEU A 393 4.635 7.922 -0.613 1.00 0.16 H new ATOM 0 HD12 LEU A 393 6.090 8.864 -0.212 1.00 0.16 H new ATOM 0 HD13 LEU A 393 6.131 7.688 -1.546 1.00 0.16 H new ATOM 0 HD21 LEU A 393 4.543 5.540 -0.122 1.00 0.24 H new ATOM 0 HD22 LEU A 393 6.048 5.255 -1.028 1.00 0.24 H new ATOM 0 HD23 LEU A 393 5.914 4.721 0.664 1.00 0.24 H new ATOM 878 N LYS A 394 9.772 7.279 2.687 1.00 0.20 N ATOM 879 CA LYS A 394 10.997 7.018 3.302 1.00 0.24 C ATOM 880 C LYS A 394 10.796 5.917 4.284 1.00 0.30 C ATOM 881 O LYS A 394 9.691 5.388 4.391 1.00 0.38 O ATOM 882 CB LYS A 394 11.497 8.257 3.961 1.00 0.29 C ATOM 883 CG LYS A 394 12.296 9.029 3.007 1.00 0.29 C ATOM 884 CD LYS A 394 11.819 10.424 2.846 1.00 0.61 C ATOM 885 CE LYS A 394 12.271 11.274 3.994 1.00 0.52 C ATOM 886 NZ LYS A 394 11.902 12.704 3.817 1.00 0.67 N1+ ATOM 0 H LYS A 394 8.964 7.091 3.281 1.00 0.20 H new ATOM 0 HA LYS A 394 11.745 6.710 2.572 1.00 0.24 H new ATOM 0 HB2 LYS A 394 10.659 8.855 4.318 1.00 0.29 H new ATOM 0 HB3 LYS A 394 12.099 8.000 4.832 1.00 0.29 H new ATOM 0 HG2 LYS A 394 13.334 9.042 3.338 1.00 0.29 H new ATOM 0 HG3 LYS A 394 12.277 8.530 2.038 1.00 0.29 H new ATOM 0 HD2 LYS A 394 12.196 10.837 1.911 1.00 0.61 H new ATOM 0 HD3 LYS A 394 10.731 10.437 2.784 1.00 0.61 H new ATOM 0 HE2 LYS A 394 11.829 10.899 4.917 1.00 0.52 H new ATOM 0 HE3 LYS A 394 13.353 11.191 4.101 1.00 0.52 H new ATOM 0 HZ1 LYS A 394 12.235 13.252 4.635 1.00 0.67 H new ATOM 0 HZ2 LYS A 394 12.344 13.072 2.950 1.00 0.67 H new ATOM 0 HZ3 LYS A 394 10.868 12.789 3.741 1.00 0.67 H new ATOM 900 N GLY A 395 11.811 5.570 5.014 1.00 0.32 N ATOM 901 CA GLY A 395 11.595 4.529 5.974 1.00 0.39 C ATOM 902 C GLY A 395 12.776 4.185 6.805 1.00 0.44 C ATOM 903 O GLY A 395 13.540 5.044 7.234 1.00 0.81 O ATOM 0 H GLY A 395 12.750 5.966 4.972 1.00 0.32 H new ATOM 0 HA2 GLY A 395 10.780 4.828 6.634 1.00 0.39 H new ATOM 0 HA3 GLY A 395 11.267 3.633 5.448 1.00 0.39 H new ATOM 907 N THR A 396 12.870 2.902 7.046 1.00 0.58 N ATOM 908 CA THR A 396 13.990 2.295 7.674 1.00 0.57 C ATOM 909 C THR A 396 14.229 0.970 7.034 1.00 0.60 C ATOM 910 O THR A 396 13.330 0.145 6.870 1.00 0.71 O ATOM 911 CB THR A 396 13.816 2.154 9.176 1.00 0.67 C ATOM 912 OG1 THR A 396 12.423 2.083 9.522 1.00 0.79 O ATOM 913 CG2 THR A 396 14.481 3.336 9.833 1.00 0.68 C ATOM 0 H THR A 396 12.137 2.238 6.797 1.00 0.58 H new ATOM 0 HA THR A 396 14.857 2.942 7.537 1.00 0.57 H new ATOM 0 HB THR A 396 14.277 1.230 9.525 1.00 0.67 H new ATOM 0 HG1 THR A 396 12.331 1.991 10.493 1.00 0.79 H new ATOM 0 HG21 THR A 396 14.371 3.260 10.915 1.00 0.68 H new ATOM 0 HG22 THR A 396 15.540 3.347 9.576 1.00 0.68 H new ATOM 0 HG23 THR A 396 14.013 4.257 9.484 1.00 0.68 H new ATOM 921 N ASN A 397 15.433 0.857 6.574 1.00 0.55 N ATOM 922 CA ASN A 397 15.945 -0.349 5.962 1.00 0.62 C ATOM 923 C ASN A 397 15.786 -1.550 6.866 1.00 0.69 C ATOM 924 O ASN A 397 15.280 -1.442 7.981 1.00 0.70 O ATOM 925 CB ASN A 397 17.412 -0.254 5.641 1.00 0.63 C ATOM 926 CG ASN A 397 17.736 0.443 4.342 1.00 0.70 C ATOM 927 OD1 ASN A 397 18.732 0.133 3.691 1.00 1.12 O ATOM 928 ND2 ASN A 397 16.901 1.370 3.951 1.00 0.50 N ATOM 0 H ASN A 397 16.114 1.616 6.610 1.00 0.55 H new ATOM 0 HA ASN A 397 15.362 -0.465 5.048 1.00 0.62 H new ATOM 0 HB2 ASN A 397 17.913 0.272 6.453 1.00 0.63 H new ATOM 0 HB3 ASN A 397 17.828 -1.261 5.609 1.00 0.63 H new ATOM 0 HD21 ASN A 397 17.064 1.867 3.075 1.00 0.50 H new ATOM 0 HD22 ASN A 397 16.086 1.596 4.522 1.00 0.50 H new ATOM 935 N ASP A 398 16.249 -2.684 6.398 1.00 0.78 N ATOM 936 CA ASP A 398 16.332 -3.865 7.231 1.00 0.85 C ATOM 937 C ASP A 398 17.063 -3.580 8.543 1.00 0.78 C ATOM 938 O ASP A 398 16.837 -4.255 9.547 1.00 0.83 O ATOM 939 CB ASP A 398 17.050 -4.988 6.493 1.00 0.97 C ATOM 940 CG ASP A 398 18.382 -4.570 5.903 1.00 1.23 C ATOM 941 OD1 ASP A 398 18.384 -3.753 4.960 1.00 1.63 O1- ATOM 942 OD2 ASP A 398 19.433 -5.032 6.398 1.00 1.65 O ATOM 0 H ASP A 398 16.576 -2.817 5.441 1.00 0.78 H new ATOM 0 HA ASP A 398 15.311 -4.169 7.462 1.00 0.85 H new ATOM 0 HB2 ASP A 398 17.211 -5.819 7.180 1.00 0.97 H new ATOM 0 HB3 ASP A 398 16.407 -5.356 5.693 1.00 0.97 H new ATOM 947 N ASP A 399 17.910 -2.561 8.550 1.00 0.73 N ATOM 948 CA ASP A 399 18.727 -2.273 9.724 1.00 0.78 C ATOM 949 C ASP A 399 18.188 -1.112 10.513 1.00 0.74 C ATOM 950 O ASP A 399 18.361 -1.036 11.729 1.00 0.86 O ATOM 951 CB ASP A 399 20.143 -1.917 9.320 1.00 0.85 C ATOM 952 CG ASP A 399 20.227 -1.136 8.027 1.00 1.18 C ATOM 953 OD1 ASP A 399 19.347 -0.295 7.778 1.00 2.00 O1- ATOM 954 OD2 ASP A 399 21.173 -1.370 7.246 1.00 1.39 O ATOM 0 H ASP A 399 18.050 -1.924 7.765 1.00 0.73 H new ATOM 0 HA ASP A 399 18.709 -3.176 10.334 1.00 0.78 H new ATOM 0 HB2 ASP A 399 20.603 -1.334 10.117 1.00 0.85 H new ATOM 0 HB3 ASP A 399 20.724 -2.834 9.219 1.00 0.85 H new ATOM 959 N GLY A 400 17.546 -0.217 9.832 1.00 0.65 N ATOM 960 CA GLY A 400 17.145 1.002 10.470 1.00 0.65 C ATOM 961 C GLY A 400 17.850 2.194 9.878 1.00 0.61 C ATOM 962 O GLY A 400 18.253 3.121 10.585 1.00 0.66 O ATOM 0 H GLY A 400 17.290 -0.302 8.848 1.00 0.65 H new ATOM 0 HA2 GLY A 400 16.067 1.129 10.369 1.00 0.65 H new ATOM 0 HA3 GLY A 400 17.361 0.943 11.537 1.00 0.65 H new ATOM 966 N THR A 401 18.031 2.138 8.580 1.00 0.56 N ATOM 967 CA THR A 401 18.567 3.216 7.823 1.00 0.56 C ATOM 968 C THR A 401 17.525 3.608 6.841 1.00 0.50 C ATOM 969 O THR A 401 16.976 2.781 6.146 1.00 0.50 O ATOM 970 CB THR A 401 19.851 2.830 7.086 1.00 0.61 C ATOM 971 OG1 THR A 401 19.622 1.711 6.231 1.00 0.61 O ATOM 972 CG2 THR A 401 20.935 2.471 8.078 1.00 0.68 C ATOM 0 H THR A 401 17.801 1.318 8.019 1.00 0.56 H new ATOM 0 HA THR A 401 18.830 4.035 8.493 1.00 0.56 H new ATOM 0 HB THR A 401 20.166 3.685 6.488 1.00 0.61 H new ATOM 0 HG1 THR A 401 19.777 0.881 6.729 1.00 0.61 H new ATOM 0 HG21 THR A 401 21.844 2.198 7.541 1.00 0.68 H new ATOM 0 HG22 THR A 401 21.137 3.327 8.722 1.00 0.68 H new ATOM 0 HG23 THR A 401 20.607 1.629 8.687 1.00 0.68 H new ATOM 980 N PRO A 402 17.195 4.851 6.797 1.00 0.50 N ATOM 981 CA PRO A 402 16.116 5.317 5.994 1.00 0.46 C ATOM 982 C PRO A 402 16.366 5.136 4.512 1.00 0.45 C ATOM 983 O PRO A 402 17.499 4.978 4.049 1.00 0.56 O ATOM 984 CB PRO A 402 16.019 6.778 6.359 1.00 0.55 C ATOM 985 CG PRO A 402 16.746 6.898 7.630 1.00 0.81 C ATOM 986 CD PRO A 402 17.850 5.935 7.482 1.00 0.58 C ATOM 0 HA PRO A 402 15.198 4.760 6.179 1.00 0.46 H new ATOM 0 HB2 PRO A 402 16.463 7.408 5.589 1.00 0.55 H new ATOM 0 HB3 PRO A 402 14.980 7.090 6.467 1.00 0.55 H new ATOM 0 HG2 PRO A 402 17.115 7.911 7.788 1.00 0.81 H new ATOM 0 HG3 PRO A 402 16.111 6.654 8.481 1.00 0.81 H new ATOM 0 HD2 PRO A 402 18.678 6.345 6.903 1.00 0.58 H new ATOM 0 HD3 PRO A 402 18.257 5.626 8.445 1.00 0.58 H new ATOM 994 N TYR A 403 15.290 5.190 3.796 1.00 0.36 N ATOM 995 CA TYR A 403 15.265 4.972 2.368 1.00 0.34 C ATOM 996 C TYR A 403 14.274 5.948 1.789 1.00 0.29 C ATOM 997 O TYR A 403 13.862 6.851 2.489 1.00 0.29 O ATOM 998 CB TYR A 403 14.871 3.524 2.042 1.00 0.34 C ATOM 999 CG TYR A 403 13.483 3.119 2.499 1.00 0.31 C ATOM 1000 CD1 TYR A 403 12.351 3.561 1.827 1.00 0.29 C ATOM 1001 CD2 TYR A 403 13.305 2.299 3.608 1.00 0.37 C ATOM 1002 CE1 TYR A 403 11.091 3.189 2.248 1.00 0.28 C ATOM 1003 CE2 TYR A 403 12.051 1.925 4.030 1.00 0.38 C ATOM 1004 CZ TYR A 403 10.936 2.383 3.326 1.00 0.32 C ATOM 1005 OH TYR A 403 9.689 2.003 3.762 1.00 0.35 O ATOM 0 H TYR A 403 14.372 5.392 4.191 1.00 0.36 H new ATOM 0 HA TYR A 403 16.253 5.131 1.936 1.00 0.34 H new ATOM 0 HB2 TYR A 403 14.939 3.379 0.964 1.00 0.34 H new ATOM 0 HB3 TYR A 403 15.598 2.854 2.500 1.00 0.34 H new ATOM 0 HD1 TYR A 403 12.458 4.203 0.965 1.00 0.29 H new ATOM 0 HD2 TYR A 403 14.171 1.948 4.150 1.00 0.37 H new ATOM 0 HE1 TYR A 403 10.221 3.543 1.714 1.00 0.28 H new ATOM 0 HE2 TYR A 403 11.931 1.287 4.893 1.00 0.38 H new ATOM 0 HH TYR A 403 9.074 1.965 3.000 1.00 0.35 H new ATOM 1015 N GLU A 404 13.917 5.784 0.536 1.00 0.28 N ATOM 1016 CA GLU A 404 12.875 6.595 -0.080 1.00 0.24 C ATOM 1017 C GLU A 404 12.097 5.828 -1.126 1.00 0.24 C ATOM 1018 O GLU A 404 12.531 4.802 -1.650 1.00 0.31 O ATOM 1019 CB GLU A 404 13.421 7.832 -0.755 1.00 0.27 C ATOM 1020 CG GLU A 404 13.750 8.985 0.151 1.00 0.29 C ATOM 1021 CD GLU A 404 14.767 9.924 -0.458 1.00 0.36 C ATOM 1022 OE1 GLU A 404 14.363 10.878 -1.157 1.00 0.45 O ATOM 1023 OE2 GLU A 404 15.979 9.707 -0.250 1.00 0.62 O1- ATOM 0 H GLU A 404 14.333 5.092 -0.087 1.00 0.28 H new ATOM 0 HA GLU A 404 12.225 6.879 0.748 1.00 0.24 H new ATOM 0 HB2 GLU A 404 14.323 7.556 -1.301 1.00 0.27 H new ATOM 0 HB3 GLU A 404 12.693 8.171 -1.492 1.00 0.27 H new ATOM 0 HG2 GLU A 404 12.838 9.538 0.377 1.00 0.29 H new ATOM 0 HG3 GLU A 404 14.133 8.602 1.097 1.00 0.29 H new ATOM 1030 N SER A 405 10.926 6.364 -1.386 1.00 0.20 N ATOM 1031 CA SER A 405 10.033 5.898 -2.395 1.00 0.20 C ATOM 1032 C SER A 405 9.428 7.111 -3.108 1.00 0.18 C ATOM 1033 O SER A 405 8.526 7.771 -2.580 1.00 0.23 O ATOM 1034 CB SER A 405 8.958 5.077 -1.699 1.00 0.26 C ATOM 1035 OG SER A 405 7.658 5.433 -2.119 1.00 1.33 O ATOM 0 H SER A 405 10.565 7.169 -0.873 1.00 0.20 H new ATOM 0 HA SER A 405 10.538 5.282 -3.139 1.00 0.20 H new ATOM 0 HB2 SER A 405 9.125 4.019 -1.899 1.00 0.26 H new ATOM 0 HB3 SER A 405 9.040 5.214 -0.621 1.00 0.26 H new ATOM 0 HG SER A 405 7.620 5.437 -3.098 1.00 1.33 H new ATOM 1041 N PRO A 406 9.963 7.463 -4.280 1.00 0.18 N ATOM 1042 CA PRO A 406 9.409 8.512 -5.115 1.00 0.19 C ATOM 1043 C PRO A 406 8.061 8.107 -5.667 1.00 0.17 C ATOM 1044 O PRO A 406 7.955 7.345 -6.628 1.00 0.17 O ATOM 1045 CB PRO A 406 10.434 8.637 -6.234 1.00 0.20 C ATOM 1046 CG PRO A 406 11.028 7.295 -6.302 1.00 0.19 C ATOM 1047 CD PRO A 406 11.146 6.875 -4.880 1.00 0.18 C ATOM 0 HA PRO A 406 9.241 9.445 -4.577 1.00 0.19 H new ATOM 0 HB2 PRO A 406 9.967 8.918 -7.178 1.00 0.20 H new ATOM 0 HB3 PRO A 406 11.183 9.397 -6.010 1.00 0.20 H new ATOM 0 HG2 PRO A 406 10.398 6.609 -6.869 1.00 0.19 H new ATOM 0 HG3 PRO A 406 12.001 7.315 -6.793 1.00 0.19 H new ATOM 0 HD2 PRO A 406 11.157 5.790 -4.777 1.00 0.18 H new ATOM 0 HD3 PRO A 406 12.062 7.248 -4.421 1.00 0.18 H new ATOM 1055 N VAL A 407 7.054 8.664 -5.074 1.00 0.17 N ATOM 1056 CA VAL A 407 5.708 8.350 -5.348 1.00 0.17 C ATOM 1057 C VAL A 407 4.996 9.591 -5.877 1.00 0.19 C ATOM 1058 O VAL A 407 5.478 10.709 -5.728 1.00 0.30 O ATOM 1059 CB VAL A 407 5.142 7.859 -4.006 1.00 0.16 C ATOM 1060 CG1 VAL A 407 3.886 8.591 -3.610 1.00 0.15 C ATOM 1061 CG2 VAL A 407 5.002 6.343 -3.991 1.00 0.23 C ATOM 0 H VAL A 407 7.163 9.380 -4.356 1.00 0.17 H new ATOM 0 HA VAL A 407 5.580 7.587 -6.115 1.00 0.17 H new ATOM 0 HB VAL A 407 5.864 8.106 -3.228 1.00 0.16 H new ATOM 0 HG11 VAL A 407 3.527 8.207 -2.655 1.00 0.15 H new ATOM 0 HG12 VAL A 407 4.100 9.656 -3.515 1.00 0.15 H new ATOM 0 HG13 VAL A 407 3.122 8.441 -4.372 1.00 0.15 H new ATOM 0 HG21 VAL A 407 4.599 6.024 -3.030 1.00 0.23 H new ATOM 0 HG22 VAL A 407 4.327 6.032 -4.788 1.00 0.23 H new ATOM 0 HG23 VAL A 407 5.979 5.886 -4.145 1.00 0.23 H new ATOM 1071 N ASN A 408 3.905 9.371 -6.565 1.00 0.19 N ATOM 1072 CA ASN A 408 3.007 10.430 -6.957 1.00 0.21 C ATOM 1073 C ASN A 408 1.849 10.409 -6.028 1.00 0.19 C ATOM 1074 O ASN A 408 1.325 11.433 -5.645 1.00 0.26 O ATOM 1075 CB ASN A 408 2.502 10.240 -8.368 1.00 0.34 C ATOM 1076 CG ASN A 408 2.408 8.819 -8.736 1.00 1.01 C ATOM 1077 OD1 ASN A 408 1.348 8.197 -8.671 1.00 1.84 O ATOM 1078 ND2 ASN A 408 3.532 8.291 -9.112 1.00 1.01 N ATOM 0 H ASN A 408 3.611 8.444 -6.872 1.00 0.19 H new ATOM 0 HA ASN A 408 3.541 11.379 -6.917 1.00 0.21 H new ATOM 0 HB2 ASN A 408 1.521 10.705 -8.467 1.00 0.34 H new ATOM 0 HB3 ASN A 408 3.169 10.751 -9.063 1.00 0.34 H new ATOM 0 HD21 ASN A 408 3.570 7.306 -9.375 1.00 1.01 H new ATOM 0 HD22 ASN A 408 4.377 8.861 -9.145 1.00 1.01 H new ATOM 1085 N TYR A 409 1.438 9.212 -5.692 1.00 0.15 N ATOM 1086 CA TYR A 409 0.261 9.042 -4.855 1.00 0.15 C ATOM 1087 C TYR A 409 0.588 8.204 -3.650 1.00 0.14 C ATOM 1088 O TYR A 409 0.879 7.011 -3.750 1.00 0.15 O ATOM 1089 CB TYR A 409 -0.913 8.427 -5.618 1.00 0.19 C ATOM 1090 CG TYR A 409 -1.245 9.151 -6.906 1.00 0.23 C ATOM 1091 CD1 TYR A 409 -0.974 10.498 -7.033 1.00 0.38 C ATOM 1092 CD2 TYR A 409 -1.798 8.490 -7.994 1.00 0.31 C ATOM 1093 CE1 TYR A 409 -1.232 11.179 -8.187 1.00 0.44 C ATOM 1094 CE2 TYR A 409 -2.067 9.169 -9.169 1.00 0.34 C ATOM 1095 CZ TYR A 409 -1.780 10.517 -9.260 1.00 0.35 C ATOM 1096 OH TYR A 409 -2.045 11.203 -10.423 1.00 0.41 O ATOM 0 H TYR A 409 1.891 8.344 -5.978 1.00 0.15 H new ATOM 0 HA TYR A 409 -0.045 10.037 -4.532 1.00 0.15 H new ATOM 0 HB2 TYR A 409 -0.683 7.386 -5.845 1.00 0.19 H new ATOM 0 HB3 TYR A 409 -1.793 8.426 -4.975 1.00 0.19 H new ATOM 0 HD1 TYR A 409 -0.546 11.028 -6.195 1.00 0.38 H new ATOM 0 HD2 TYR A 409 -2.020 7.436 -7.923 1.00 0.31 H new ATOM 0 HE1 TYR A 409 -1.007 12.233 -8.257 1.00 0.44 H new ATOM 0 HE2 TYR A 409 -2.499 8.648 -10.011 1.00 0.34 H new ATOM 0 HH TYR A 409 -1.406 11.939 -10.521 1.00 0.41 H new ATOM 1106 N TRP A 410 0.518 8.858 -2.521 1.00 0.13 N ATOM 1107 CA TRP A 410 0.823 8.266 -1.239 1.00 0.11 C ATOM 1108 C TRP A 410 -0.346 8.406 -0.307 1.00 0.10 C ATOM 1109 O TRP A 410 -0.985 9.458 -0.227 1.00 0.12 O ATOM 1110 CB TRP A 410 2.040 8.962 -0.634 1.00 0.12 C ATOM 1111 CG TRP A 410 2.456 8.488 0.721 1.00 0.11 C ATOM 1112 CD1 TRP A 410 2.835 9.277 1.756 1.00 0.12 C ATOM 1113 CD2 TRP A 410 2.568 7.142 1.186 1.00 0.11 C ATOM 1114 NE1 TRP A 410 3.155 8.518 2.840 1.00 0.13 N ATOM 1115 CE2 TRP A 410 3.011 7.197 2.516 1.00 0.11 C ATOM 1116 CE3 TRP A 410 2.333 5.904 0.609 1.00 0.11 C ATOM 1117 CZ2 TRP A 410 3.227 6.048 3.276 1.00 0.12 C ATOM 1118 CZ3 TRP A 410 2.552 4.769 1.352 1.00 0.11 C ATOM 1119 CH2 TRP A 410 2.998 4.847 2.675 1.00 0.11 C ATOM 0 H TRP A 410 0.242 9.838 -2.462 1.00 0.13 H new ATOM 0 HA TRP A 410 1.036 7.207 -1.382 1.00 0.11 H new ATOM 0 HB2 TRP A 410 2.882 8.838 -1.315 1.00 0.12 H new ATOM 0 HB3 TRP A 410 1.832 10.030 -0.576 1.00 0.12 H new ATOM 0 HD1 TRP A 410 2.877 10.356 1.725 1.00 0.12 H new ATOM 0 HE1 TRP A 410 3.454 8.876 3.747 1.00 0.13 H new ATOM 0 HE3 TRP A 410 1.983 5.832 -0.410 1.00 0.11 H new ATOM 0 HZ2 TRP A 410 3.563 6.108 4.301 1.00 0.12 H new ATOM 0 HZ3 TRP A 410 2.377 3.801 0.907 1.00 0.11 H new ATOM 0 HH2 TRP A 410 3.164 3.937 3.232 1.00 0.11 H new ATOM 1130 N MET A 411 -0.623 7.342 0.382 1.00 0.09 N ATOM 1131 CA MET A 411 -1.625 7.360 1.404 1.00 0.10 C ATOM 1132 C MET A 411 -1.148 6.625 2.651 1.00 0.09 C ATOM 1133 O MET A 411 -1.398 5.431 2.814 1.00 0.10 O ATOM 1134 CB MET A 411 -2.881 6.743 0.855 1.00 0.12 C ATOM 1135 CG MET A 411 -3.913 7.770 0.451 1.00 0.14 C ATOM 1136 SD MET A 411 -4.790 7.279 -1.035 1.00 0.41 S ATOM 1137 CE MET A 411 -5.138 5.576 -0.635 1.00 0.13 C ATOM 0 H MET A 411 -0.164 6.440 0.253 1.00 0.09 H new ATOM 0 HA MET A 411 -1.827 8.389 1.701 1.00 0.10 H new ATOM 0 HB2 MET A 411 -2.630 6.128 -0.009 1.00 0.12 H new ATOM 0 HB3 MET A 411 -3.311 6.079 1.605 1.00 0.12 H new ATOM 0 HG2 MET A 411 -4.625 7.910 1.264 1.00 0.14 H new ATOM 0 HG3 MET A 411 -3.425 8.731 0.285 1.00 0.14 H new ATOM 0 HE1 MET A 411 -5.572 5.080 -1.503 1.00 0.13 H new ATOM 0 HE2 MET A 411 -4.213 5.072 -0.354 1.00 0.13 H new ATOM 0 HE3 MET A 411 -5.842 5.534 0.196 1.00 0.13 H new ATOM 1147 N PRO A 412 -0.431 7.331 3.537 1.00 0.09 N ATOM 1148 CA PRO A 412 0.118 6.751 4.773 1.00 0.09 C ATOM 1149 C PRO A 412 -0.959 6.458 5.790 1.00 0.09 C ATOM 1150 O PRO A 412 -1.932 7.199 5.931 1.00 0.09 O ATOM 1151 CB PRO A 412 1.020 7.871 5.290 1.00 0.10 C ATOM 1152 CG PRO A 412 0.365 9.106 4.802 1.00 0.16 C ATOM 1153 CD PRO A 412 -0.094 8.764 3.418 1.00 0.11 C ATOM 0 HA PRO A 412 0.623 5.801 4.598 1.00 0.09 H new ATOM 0 HB2 PRO A 412 1.090 7.858 6.378 1.00 0.10 H new ATOM 0 HB3 PRO A 412 2.035 7.777 4.904 1.00 0.10 H new ATOM 0 HG2 PRO A 412 -0.472 9.390 5.439 1.00 0.16 H new ATOM 0 HG3 PRO A 412 1.059 9.947 4.794 1.00 0.16 H new ATOM 0 HD2 PRO A 412 -0.956 9.360 3.118 1.00 0.11 H new ATOM 0 HD3 PRO A 412 0.687 8.937 2.677 1.00 0.11 H new ATOM 1161 N ILE A 413 -0.773 5.341 6.469 1.00 0.09 N ATOM 1162 CA ILE A 413 -1.762 4.802 7.377 1.00 0.10 C ATOM 1163 C ILE A 413 -1.191 4.629 8.772 1.00 0.14 C ATOM 1164 O ILE A 413 -1.928 4.449 9.742 1.00 0.17 O ATOM 1165 CB ILE A 413 -2.255 3.462 6.856 1.00 0.09 C ATOM 1166 CG1 ILE A 413 -1.119 2.429 6.868 1.00 0.10 C ATOM 1167 CG2 ILE A 413 -2.785 3.684 5.463 1.00 0.09 C ATOM 1168 CD1 ILE A 413 -1.403 1.192 6.051 1.00 0.11 C ATOM 0 H ILE A 413 0.076 4.780 6.404 1.00 0.09 H new ATOM 0 HA ILE A 413 -2.593 5.506 7.435 1.00 0.10 H new ATOM 0 HB ILE A 413 -3.046 3.066 7.493 1.00 0.09 H new ATOM 0 HG12 ILE A 413 -0.211 2.899 6.492 1.00 0.10 H new ATOM 0 HG13 ILE A 413 -0.922 2.134 7.898 1.00 0.10 H new ATOM 0 HG21 ILE A 413 -3.148 2.740 5.057 1.00 0.09 H new ATOM 0 HG22 ILE A 413 -3.603 4.404 5.495 1.00 0.09 H new ATOM 0 HG23 ILE A 413 -1.988 4.069 4.827 1.00 0.09 H new ATOM 0 HD11 ILE A 413 -0.553 0.513 6.111 1.00 0.11 H new ATOM 0 HD12 ILE A 413 -2.292 0.695 6.440 1.00 0.11 H new ATOM 0 HD13 ILE A 413 -1.570 1.473 5.011 1.00 0.11 H new ATOM 1180 N ASP A 414 0.129 4.630 8.856 1.00 0.15 N ATOM 1181 CA ASP A 414 0.801 4.666 10.143 1.00 0.22 C ATOM 1182 C ASP A 414 1.931 5.679 10.102 1.00 0.21 C ATOM 1183 O ASP A 414 2.273 6.198 9.038 1.00 0.22 O ATOM 1184 CB ASP A 414 1.311 3.276 10.573 1.00 0.31 C ATOM 1185 CG ASP A 414 2.438 2.714 9.724 1.00 0.88 C ATOM 1186 OD1 ASP A 414 3.337 3.497 9.363 1.00 1.23 O1- ATOM 1187 OD2 ASP A 414 2.407 1.511 9.368 1.00 1.59 O ATOM 0 H ASP A 414 0.754 4.606 8.051 1.00 0.15 H new ATOM 0 HA ASP A 414 0.075 4.973 10.895 1.00 0.22 H new ATOM 0 HB2 ASP A 414 1.650 3.334 11.607 1.00 0.31 H new ATOM 0 HB3 ASP A 414 0.476 2.576 10.550 1.00 0.31 H new ATOM 1192 N TRP A 415 2.502 5.957 11.260 1.00 0.24 N ATOM 1193 CA TRP A 415 3.524 6.979 11.389 1.00 0.25 C ATOM 1194 C TRP A 415 4.926 6.391 11.347 1.00 0.27 C ATOM 1195 O TRP A 415 5.889 7.054 11.737 1.00 0.31 O ATOM 1196 CB TRP A 415 3.313 7.817 12.649 1.00 0.28 C ATOM 1197 CG TRP A 415 2.238 8.850 12.489 1.00 0.28 C ATOM 1198 CD1 TRP A 415 2.419 10.187 12.302 1.00 0.30 C ATOM 1199 CD2 TRP A 415 0.821 8.632 12.478 1.00 0.27 C ATOM 1200 NE1 TRP A 415 1.202 10.817 12.189 1.00 0.30 N ATOM 1201 CE2 TRP A 415 0.208 9.882 12.292 1.00 0.28 C ATOM 1202 CE3 TRP A 415 0.010 7.505 12.613 1.00 0.27 C ATOM 1203 CZ2 TRP A 415 -1.173 10.033 12.234 1.00 0.28 C ATOM 1204 CZ3 TRP A 415 -1.363 7.662 12.551 1.00 0.27 C ATOM 1205 CH2 TRP A 415 -1.939 8.915 12.364 1.00 0.27 C ATOM 0 H TRP A 415 2.272 5.483 12.133 1.00 0.24 H new ATOM 0 HA TRP A 415 3.427 7.639 10.527 1.00 0.25 H new ATOM 0 HB2 TRP A 415 3.056 7.158 13.479 1.00 0.28 H new ATOM 0 HB3 TRP A 415 4.248 8.311 12.912 1.00 0.28 H new ATOM 0 HD1 TRP A 415 3.378 10.680 12.250 1.00 0.30 H new ATOM 0 HE1 TRP A 415 1.063 11.818 12.051 1.00 0.30 H new ATOM 0 HE3 TRP A 415 0.446 6.528 12.763 1.00 0.27 H new ATOM 0 HZ2 TRP A 415 -1.623 11.004 12.091 1.00 0.28 H new ATOM 0 HZ3 TRP A 415 -2.000 6.796 12.650 1.00 0.27 H new ATOM 0 HH2 TRP A 415 -3.015 9.002 12.321 1.00 0.27 H new ATOM 1216 N THR A 416 5.061 5.158 10.887 1.00 0.27 N ATOM 1217 CA THR A 416 6.386 4.590 10.718 1.00 0.32 C ATOM 1218 C THR A 416 6.759 4.687 9.261 1.00 0.30 C ATOM 1219 O THR A 416 7.928 4.844 8.898 1.00 0.35 O ATOM 1220 CB THR A 416 6.477 3.123 11.175 1.00 0.40 C ATOM 1221 OG1 THR A 416 5.401 2.348 10.631 1.00 0.41 O ATOM 1222 CG2 THR A 416 6.459 3.026 12.690 1.00 0.44 C ATOM 0 H THR A 416 4.288 4.544 10.629 1.00 0.27 H new ATOM 0 HA THR A 416 7.074 5.155 11.346 1.00 0.32 H new ATOM 0 HB THR A 416 7.421 2.723 10.806 1.00 0.40 H new ATOM 0 HG1 THR A 416 4.888 2.897 10.002 1.00 0.41 H new ATOM 0 HG21 THR A 416 6.524 1.980 12.988 1.00 0.44 H new ATOM 0 HG22 THR A 416 7.308 3.574 13.100 1.00 0.44 H new ATOM 0 HG23 THR A 416 5.532 3.455 13.071 1.00 0.44 H new ATOM 1230 N GLY A 417 5.731 4.668 8.437 1.00 0.24 N ATOM 1231 CA GLY A 417 5.916 4.890 7.039 1.00 0.24 C ATOM 1232 C GLY A 417 5.225 3.874 6.173 1.00 0.19 C ATOM 1233 O GLY A 417 5.644 3.627 5.044 1.00 0.20 O ATOM 0 H GLY A 417 4.766 4.501 8.721 1.00 0.24 H new ATOM 0 HA2 GLY A 417 5.546 5.883 6.785 1.00 0.24 H new ATOM 0 HA3 GLY A 417 6.983 4.880 6.816 1.00 0.24 H new ATOM 1237 N VAL A 418 4.162 3.283 6.684 1.00 0.15 N ATOM 1238 CA VAL A 418 3.392 2.365 5.886 1.00 0.11 C ATOM 1239 C VAL A 418 2.120 3.014 5.380 1.00 0.09 C ATOM 1240 O VAL A 418 1.544 3.893 6.026 1.00 0.09 O ATOM 1241 CB VAL A 418 3.060 1.063 6.643 1.00 0.14 C ATOM 1242 CG1 VAL A 418 2.083 0.196 5.870 1.00 0.14 C ATOM 1243 CG2 VAL A 418 4.332 0.297 6.892 1.00 0.17 C ATOM 0 H VAL A 418 3.820 3.423 7.635 1.00 0.15 H new ATOM 0 HA VAL A 418 4.016 2.099 5.033 1.00 0.11 H new ATOM 0 HB VAL A 418 2.588 1.330 7.589 1.00 0.14 H new ATOM 0 HG11 VAL A 418 1.875 -0.712 6.437 1.00 0.14 H new ATOM 0 HG12 VAL A 418 1.155 0.746 5.712 1.00 0.14 H new ATOM 0 HG13 VAL A 418 2.516 -0.070 4.906 1.00 0.14 H new ATOM 0 HG21 VAL A 418 4.103 -0.625 7.427 1.00 0.17 H new ATOM 0 HG22 VAL A 418 4.804 0.056 5.939 1.00 0.17 H new ATOM 0 HG23 VAL A 418 5.011 0.904 7.490 1.00 0.17 H new ATOM 1253 N GLY A 419 1.709 2.579 4.207 1.00 0.10 N ATOM 1254 CA GLY A 419 0.504 3.082 3.598 1.00 0.08 C ATOM 1255 C GLY A 419 0.312 2.508 2.221 1.00 0.08 C ATOM 1256 O GLY A 419 0.963 1.524 1.862 1.00 0.09 O ATOM 0 H GLY A 419 2.198 1.873 3.656 1.00 0.10 H new ATOM 0 HA2 GLY A 419 -0.354 2.832 4.222 1.00 0.08 H new ATOM 0 HA3 GLY A 419 0.549 4.169 3.539 1.00 0.08 H new ATOM 1260 N ILE A 420 -0.558 3.120 1.440 1.00 0.08 N ATOM 1261 CA ILE A 420 -0.753 2.706 0.081 1.00 0.09 C ATOM 1262 C ILE A 420 -0.036 3.679 -0.840 1.00 0.07 C ATOM 1263 O ILE A 420 -0.077 4.891 -0.619 1.00 0.08 O ATOM 1264 CB ILE A 420 -2.256 2.648 -0.262 1.00 0.10 C ATOM 1265 CG1 ILE A 420 -2.691 1.218 -0.538 1.00 0.11 C ATOM 1266 CG2 ILE A 420 -2.566 3.497 -1.457 1.00 0.12 C ATOM 1267 CD1 ILE A 420 -2.864 0.358 0.690 1.00 0.11 C ATOM 0 H ILE A 420 -1.138 3.906 1.733 1.00 0.08 H new ATOM 0 HA ILE A 420 -0.342 1.705 -0.053 1.00 0.09 H new ATOM 0 HB ILE A 420 -2.804 3.031 0.599 1.00 0.10 H new ATOM 0 HG12 ILE A 420 -3.634 1.240 -1.084 1.00 0.11 H new ATOM 0 HG13 ILE A 420 -1.955 0.749 -1.191 1.00 0.11 H new ATOM 0 HG21 ILE A 420 -3.632 3.439 -1.678 1.00 0.12 H new ATOM 0 HG22 ILE A 420 -2.295 4.532 -1.248 1.00 0.12 H new ATOM 0 HG23 ILE A 420 -1.997 3.139 -2.315 1.00 0.12 H new ATOM 0 HD11 ILE A 420 -3.175 -0.643 0.392 1.00 0.11 H new ATOM 0 HD12 ILE A 420 -1.918 0.299 1.229 1.00 0.11 H new ATOM 0 HD13 ILE A 420 -3.624 0.797 1.337 1.00 0.11 H new ATOM 1279 N HIS A 421 0.626 3.165 -1.852 1.00 0.07 N ATOM 1280 CA HIS A 421 1.301 4.025 -2.808 1.00 0.07 C ATOM 1281 C HIS A 421 1.335 3.399 -4.170 1.00 0.09 C ATOM 1282 O HIS A 421 1.078 2.214 -4.348 1.00 0.11 O ATOM 1283 CB HIS A 421 2.745 4.320 -2.418 1.00 0.09 C ATOM 1284 CG HIS A 421 3.626 3.125 -2.328 1.00 0.11 C ATOM 1285 ND1 HIS A 421 4.204 2.535 -3.425 1.00 0.12 N ATOM 1286 CD2 HIS A 421 4.082 2.460 -1.250 1.00 0.13 C ATOM 1287 CE1 HIS A 421 5.002 1.553 -2.984 1.00 0.15 C ATOM 1288 NE2 HIS A 421 4.960 1.464 -1.668 1.00 0.15 N ATOM 0 H HIS A 421 0.714 2.166 -2.037 1.00 0.07 H new ATOM 0 HA HIS A 421 0.727 4.952 -2.814 1.00 0.07 H new ATOM 0 HB2 HIS A 421 3.169 5.012 -3.146 1.00 0.09 H new ATOM 0 HB3 HIS A 421 2.749 4.830 -1.454 1.00 0.09 H new ATOM 0 HD1 HIS A 421 4.053 2.797 -4.399 1.00 0.12 H new ATOM 0 HD2 HIS A 421 3.810 2.666 -0.225 1.00 0.13 H new ATOM 0 HE1 HIS A 421 5.600 0.918 -3.621 1.00 0.15 H new ATOM 1296 N ASP A 422 1.690 4.230 -5.118 1.00 0.11 N ATOM 1297 CA ASP A 422 1.934 3.834 -6.458 1.00 0.14 C ATOM 1298 C ASP A 422 3.396 3.464 -6.572 1.00 0.19 C ATOM 1299 O ASP A 422 4.237 4.002 -5.855 1.00 0.29 O ATOM 1300 CB ASP A 422 1.628 5.016 -7.352 1.00 0.20 C ATOM 1301 CG ASP A 422 2.862 5.827 -7.676 1.00 0.31 C ATOM 1302 OD1 ASP A 422 3.254 6.677 -6.846 1.00 0.33 O1- ATOM 1303 OD2 ASP A 422 3.455 5.614 -8.757 1.00 0.42 O ATOM 0 H ASP A 422 1.818 5.230 -4.960 1.00 0.11 H new ATOM 0 HA ASP A 422 1.317 2.984 -6.748 1.00 0.14 H new ATOM 0 HB2 ASP A 422 1.176 4.660 -8.278 1.00 0.20 H new ATOM 0 HB3 ASP A 422 0.893 5.656 -6.864 1.00 0.20 H new ATOM 1308 N SER A 423 3.702 2.546 -7.440 1.00 0.15 N ATOM 1309 CA SER A 423 5.070 2.133 -7.607 1.00 0.19 C ATOM 1310 C SER A 423 5.392 2.006 -9.058 1.00 0.15 C ATOM 1311 O SER A 423 5.082 1.017 -9.724 1.00 0.16 O ATOM 1312 CB SER A 423 5.272 0.803 -6.897 1.00 0.26 C ATOM 1313 OG SER A 423 4.119 -0.002 -7.042 1.00 1.48 O ATOM 0 H SER A 423 3.030 2.069 -8.042 1.00 0.15 H new ATOM 0 HA SER A 423 5.738 2.878 -7.175 1.00 0.19 H new ATOM 0 HB2 SER A 423 6.139 0.288 -7.311 1.00 0.26 H new ATOM 0 HB3 SER A 423 5.476 0.973 -5.840 1.00 0.26 H new ATOM 0 HG SER A 423 3.369 0.412 -6.567 1.00 1.48 H new ATOM 1319 N ASP A 424 6.035 3.041 -9.521 1.00 0.13 N ATOM 1320 CA ASP A 424 6.459 3.135 -10.886 1.00 0.13 C ATOM 1321 C ASP A 424 7.902 2.671 -11.027 1.00 0.12 C ATOM 1322 O ASP A 424 8.297 2.097 -12.039 1.00 0.15 O ATOM 1323 CB ASP A 424 6.230 4.555 -11.344 1.00 0.15 C ATOM 1324 CG ASP A 424 6.872 4.884 -12.677 1.00 0.25 C ATOM 1325 OD1 ASP A 424 8.069 5.240 -12.696 1.00 0.35 O1- ATOM 1326 OD2 ASP A 424 6.192 4.769 -13.718 1.00 0.34 O ATOM 0 H ASP A 424 6.281 3.852 -8.953 1.00 0.13 H new ATOM 0 HA ASP A 424 5.880 2.474 -11.531 1.00 0.13 H new ATOM 0 HB2 ASP A 424 5.157 4.734 -11.415 1.00 0.15 H new ATOM 0 HB3 ASP A 424 6.618 5.237 -10.587 1.00 0.15 H new ATOM 1331 N TRP A 425 8.681 2.941 -9.969 1.00 0.12 N ATOM 1332 CA TRP A 425 10.062 2.471 -9.860 1.00 0.14 C ATOM 1333 C TRP A 425 10.066 0.969 -9.704 1.00 0.15 C ATOM 1334 O TRP A 425 11.039 0.289 -10.021 1.00 0.18 O ATOM 1335 CB TRP A 425 10.738 3.098 -8.635 1.00 0.14 C ATOM 1336 CG TRP A 425 10.306 2.552 -7.313 1.00 0.12 C ATOM 1337 CD1 TRP A 425 10.738 1.429 -6.684 1.00 0.13 C ATOM 1338 CD2 TRP A 425 9.375 3.160 -6.451 1.00 0.12 C ATOM 1339 NE1 TRP A 425 10.113 1.304 -5.464 1.00 0.13 N ATOM 1340 CE2 TRP A 425 9.271 2.366 -5.300 1.00 0.12 C ATOM 1341 CE3 TRP A 425 8.622 4.306 -6.553 1.00 0.14 C ATOM 1342 CZ2 TRP A 425 8.429 2.702 -4.249 1.00 0.14 C ATOM 1343 CZ3 TRP A 425 7.797 4.645 -5.523 1.00 0.16 C ATOM 1344 CH2 TRP A 425 7.701 3.851 -4.379 1.00 0.15 C ATOM 0 H TRP A 425 8.368 3.490 -9.169 1.00 0.12 H new ATOM 0 HA TRP A 425 10.606 2.758 -10.760 1.00 0.14 H new ATOM 0 HB2 TRP A 425 11.816 2.965 -8.729 1.00 0.14 H new ATOM 0 HB3 TRP A 425 10.547 4.171 -8.645 1.00 0.14 H new ATOM 0 HD1 TRP A 425 11.465 0.736 -7.082 1.00 0.13 H new ATOM 0 HE1 TRP A 425 10.255 0.546 -4.796 1.00 0.13 H new ATOM 0 HE3 TRP A 425 8.683 4.927 -7.435 1.00 0.14 H new ATOM 0 HZ2 TRP A 425 8.353 2.083 -3.367 1.00 0.14 H new ATOM 0 HZ3 TRP A 425 7.206 5.546 -5.593 1.00 0.16 H new ATOM 0 HH2 TRP A 425 7.038 4.151 -3.581 1.00 0.15 H new ATOM 1355 N GLN A 426 8.972 0.489 -9.150 1.00 0.15 N ATOM 1356 CA GLN A 426 8.824 -0.908 -8.787 1.00 0.17 C ATOM 1357 C GLN A 426 7.688 -1.519 -9.540 1.00 0.18 C ATOM 1358 O GLN A 426 6.569 -1.664 -9.055 1.00 0.28 O ATOM 1359 CB GLN A 426 8.528 -0.987 -7.332 1.00 0.18 C ATOM 1360 CG GLN A 426 9.573 -1.719 -6.515 1.00 0.58 C ATOM 1361 CD GLN A 426 9.556 -3.222 -6.714 1.00 0.63 C ATOM 1362 OE1 GLN A 426 10.602 -3.860 -6.673 1.00 1.33 O ATOM 1363 NE2 GLN A 426 8.376 -3.815 -6.910 1.00 0.22 N ATOM 0 H GLN A 426 8.154 1.060 -8.937 1.00 0.15 H new ATOM 0 HA GLN A 426 9.742 -1.444 -9.027 1.00 0.17 H new ATOM 0 HB2 GLN A 426 8.423 0.025 -6.940 1.00 0.18 H new ATOM 0 HB3 GLN A 426 7.567 -1.483 -7.196 1.00 0.18 H new ATOM 0 HG2 GLN A 426 10.560 -1.337 -6.777 1.00 0.58 H new ATOM 0 HG3 GLN A 426 9.416 -1.499 -5.459 1.00 0.58 H new ATOM 0 HE21 GLN A 426 7.523 -3.256 -6.939 1.00 0.22 H new ATOM 0 HE22 GLN A 426 8.327 -4.827 -7.031 1.00 0.22 H new ATOM 1372 N PRO A 427 8.023 -1.883 -10.741 1.00 0.16 N ATOM 1373 CA PRO A 427 7.099 -2.151 -11.802 1.00 0.18 C ATOM 1374 C PRO A 427 6.461 -3.522 -11.746 1.00 0.16 C ATOM 1375 O PRO A 427 5.721 -3.901 -12.657 1.00 0.18 O ATOM 1376 CB PRO A 427 8.008 -2.026 -13.003 1.00 0.23 C ATOM 1377 CG PRO A 427 9.258 -2.606 -12.517 1.00 0.23 C ATOM 1378 CD PRO A 427 9.394 -2.028 -11.172 1.00 0.19 C ATOM 0 HA PRO A 427 6.236 -1.485 -11.784 1.00 0.18 H new ATOM 0 HB2 PRO A 427 7.618 -2.567 -13.865 1.00 0.23 H new ATOM 0 HB3 PRO A 427 8.135 -0.988 -13.309 1.00 0.23 H new ATOM 0 HG2 PRO A 427 9.212 -3.695 -12.485 1.00 0.23 H new ATOM 0 HG3 PRO A 427 10.100 -2.342 -13.156 1.00 0.23 H new ATOM 0 HD2 PRO A 427 9.959 -2.681 -10.507 1.00 0.19 H new ATOM 0 HD3 PRO A 427 9.913 -1.070 -11.195 1.00 0.19 H new ATOM 1386 N GLU A 428 6.748 -4.261 -10.685 1.00 0.14 N ATOM 1387 CA GLU A 428 6.182 -5.576 -10.520 1.00 0.14 C ATOM 1388 C GLU A 428 5.256 -5.602 -9.326 1.00 0.12 C ATOM 1389 O GLU A 428 5.426 -4.841 -8.381 1.00 0.15 O ATOM 1390 CB GLU A 428 7.257 -6.596 -10.280 1.00 0.17 C ATOM 1391 CG GLU A 428 6.869 -7.973 -10.727 1.00 0.22 C ATOM 1392 CD GLU A 428 7.364 -8.317 -12.112 1.00 0.64 C ATOM 1393 OE1 GLU A 428 6.894 -7.703 -13.086 1.00 1.10 O1- ATOM 1394 OE2 GLU A 428 8.235 -9.204 -12.230 1.00 0.98 O ATOM 0 H GLU A 428 7.369 -3.967 -9.931 1.00 0.14 H new ATOM 0 HA GLU A 428 5.639 -5.812 -11.435 1.00 0.14 H new ATOM 0 HB2 GLU A 428 8.163 -6.291 -10.805 1.00 0.17 H new ATOM 0 HB3 GLU A 428 7.497 -6.619 -9.217 1.00 0.17 H new ATOM 0 HG2 GLU A 428 7.262 -8.701 -10.018 1.00 0.22 H new ATOM 0 HG3 GLU A 428 5.783 -8.061 -10.705 1.00 0.22 H new ATOM 1401 N TYR A 429 4.313 -6.521 -9.392 1.00 0.11 N ATOM 1402 CA TYR A 429 3.202 -6.646 -8.452 1.00 0.10 C ATOM 1403 C TYR A 429 2.594 -8.015 -8.615 1.00 0.10 C ATOM 1404 O TYR A 429 2.266 -8.422 -9.730 1.00 0.14 O ATOM 1405 CB TYR A 429 2.095 -5.676 -8.777 1.00 0.13 C ATOM 1406 CG TYR A 429 2.522 -4.380 -9.414 1.00 0.16 C ATOM 1407 CD1 TYR A 429 2.842 -3.281 -8.639 1.00 0.19 C ATOM 1408 CD2 TYR A 429 2.590 -4.260 -10.792 1.00 0.23 C ATOM 1409 CE1 TYR A 429 3.219 -2.094 -9.217 1.00 0.25 C ATOM 1410 CE2 TYR A 429 2.968 -3.072 -11.381 1.00 0.29 C ATOM 1411 CZ TYR A 429 3.331 -2.003 -10.580 1.00 0.30 C ATOM 1412 OH TYR A 429 3.661 -0.805 -11.170 1.00 0.38 O ATOM 0 H TYR A 429 4.293 -7.229 -10.126 1.00 0.11 H new ATOM 0 HA TYR A 429 3.592 -6.460 -7.451 1.00 0.10 H new ATOM 0 HB2 TYR A 429 1.389 -6.171 -9.444 1.00 0.13 H new ATOM 0 HB3 TYR A 429 1.558 -5.446 -7.857 1.00 0.13 H new ATOM 0 HD1 TYR A 429 2.795 -3.357 -7.563 1.00 0.19 H new ATOM 0 HD2 TYR A 429 2.344 -5.108 -11.414 1.00 0.23 H new ATOM 0 HE1 TYR A 429 3.427 -1.233 -8.599 1.00 0.25 H new ATOM 0 HE2 TYR A 429 2.981 -2.976 -12.457 1.00 0.29 H new ATOM 0 HH TYR A 429 4.287 -0.318 -10.594 1.00 0.38 H new ATOM 1422 N GLY A 430 2.480 -8.744 -7.548 1.00 0.10 N ATOM 1423 CA GLY A 430 1.902 -10.054 -7.657 1.00 0.12 C ATOM 1424 C GLY A 430 2.498 -11.002 -6.665 1.00 0.13 C ATOM 1425 O GLY A 430 3.245 -10.561 -5.798 1.00 0.13 O ATOM 0 H GLY A 430 2.771 -8.466 -6.611 1.00 0.10 H new ATOM 0 HA2 GLY A 430 0.825 -9.992 -7.500 1.00 0.12 H new ATOM 0 HA3 GLY A 430 2.056 -10.438 -8.666 1.00 0.12 H new ATOM 1429 N GLY A 431 2.214 -12.301 -6.850 1.00 0.16 N ATOM 1430 CA GLY A 431 2.814 -13.368 -6.049 1.00 0.20 C ATOM 1431 C GLY A 431 4.199 -13.028 -5.545 1.00 0.17 C ATOM 1432 O GLY A 431 4.958 -12.356 -6.245 1.00 0.16 O ATOM 0 H GLY A 431 1.562 -12.636 -7.559 1.00 0.16 H new ATOM 0 HA2 GLY A 431 2.167 -13.582 -5.198 1.00 0.20 H new ATOM 0 HA3 GLY A 431 2.865 -14.278 -6.647 1.00 0.20 H new ATOM 1436 N ASP A 432 4.596 -13.623 -4.427 1.00 0.18 N ATOM 1437 CA ASP A 432 5.468 -12.941 -3.482 1.00 0.18 C ATOM 1438 C ASP A 432 6.722 -12.446 -4.128 1.00 0.18 C ATOM 1439 O ASP A 432 7.700 -13.155 -4.366 1.00 0.19 O ATOM 1440 CB ASP A 432 5.860 -13.880 -2.351 1.00 0.22 C ATOM 1441 CG ASP A 432 4.700 -14.666 -1.783 1.00 0.25 C ATOM 1442 OD1 ASP A 432 4.410 -15.756 -2.308 1.00 0.29 O ATOM 1443 OD2 ASP A 432 4.065 -14.183 -0.819 1.00 0.33 O1- ATOM 0 H ASP A 432 4.330 -14.569 -4.155 1.00 0.18 H new ATOM 0 HA ASP A 432 4.906 -12.089 -3.100 1.00 0.18 H new ATOM 0 HB2 ASP A 432 6.616 -14.576 -2.714 1.00 0.22 H new ATOM 0 HB3 ASP A 432 6.320 -13.299 -1.551 1.00 0.22 H new ATOM 1448 N LEU A 433 6.631 -11.169 -4.371 1.00 0.16 N ATOM 1449 CA LEU A 433 7.666 -10.375 -4.934 1.00 0.15 C ATOM 1450 C LEU A 433 8.407 -9.678 -3.839 1.00 0.14 C ATOM 1451 O LEU A 433 9.604 -9.448 -3.906 1.00 0.15 O ATOM 1452 CB LEU A 433 6.997 -9.414 -5.868 1.00 0.14 C ATOM 1453 CG LEU A 433 6.603 -10.045 -7.187 1.00 0.15 C ATOM 1454 CD1 LEU A 433 5.666 -9.138 -7.931 1.00 0.13 C ATOM 1455 CD2 LEU A 433 7.842 -10.355 -8.006 1.00 0.18 C ATOM 0 H LEU A 433 5.786 -10.634 -4.168 1.00 0.16 H new ATOM 0 HA LEU A 433 8.400 -10.968 -5.480 1.00 0.15 H new ATOM 0 HB2 LEU A 433 6.108 -9.008 -5.386 1.00 0.14 H new ATOM 0 HB3 LEU A 433 7.667 -8.576 -6.059 1.00 0.14 H new ATOM 0 HG LEU A 433 6.082 -10.984 -6.998 1.00 0.15 H new ATOM 0 HD11 LEU A 433 5.388 -9.600 -8.878 1.00 0.13 H new ATOM 0 HD12 LEU A 433 4.771 -8.970 -7.333 1.00 0.13 H new ATOM 0 HD13 LEU A 433 6.158 -8.185 -8.123 1.00 0.13 H new ATOM 0 HD21 LEU A 433 7.548 -10.809 -8.953 1.00 0.18 H new ATOM 0 HD22 LEU A 433 8.390 -9.433 -8.200 1.00 0.18 H new ATOM 0 HD23 LEU A 433 8.479 -11.047 -7.455 1.00 0.18 H new ATOM 1467 N TRP A 434 7.625 -9.353 -2.813 1.00 0.14 N ATOM 1468 CA TRP A 434 8.079 -8.579 -1.680 1.00 0.14 C ATOM 1469 C TRP A 434 9.392 -9.087 -1.142 1.00 0.17 C ATOM 1470 O TRP A 434 10.227 -8.310 -0.708 1.00 0.22 O ATOM 1471 CB TRP A 434 7.008 -8.546 -0.583 1.00 0.15 C ATOM 1472 CG TRP A 434 6.460 -9.883 -0.154 1.00 0.16 C ATOM 1473 CD1 TRP A 434 5.630 -10.698 -0.864 1.00 0.17 C ATOM 1474 CD2 TRP A 434 6.652 -10.528 1.112 1.00 0.16 C ATOM 1475 NE1 TRP A 434 5.332 -11.823 -0.133 1.00 0.18 N ATOM 1476 CE2 TRP A 434 5.947 -11.737 1.083 1.00 0.18 C ATOM 1477 CE3 TRP A 434 7.363 -10.208 2.262 1.00 0.17 C ATOM 1478 CZ2 TRP A 434 5.935 -12.617 2.158 1.00 0.19 C ATOM 1479 CZ3 TRP A 434 7.350 -11.078 3.332 1.00 0.19 C ATOM 1480 CH2 TRP A 434 6.640 -12.271 3.273 1.00 0.19 C ATOM 0 H TRP A 434 6.645 -9.628 -2.752 1.00 0.14 H new ATOM 0 HA TRP A 434 8.248 -7.559 -2.026 1.00 0.14 H new ATOM 0 HB2 TRP A 434 7.428 -8.050 0.292 1.00 0.15 H new ATOM 0 HB3 TRP A 434 6.179 -7.930 -0.931 1.00 0.15 H new ATOM 0 HD1 TRP A 434 5.260 -10.490 -1.857 1.00 0.17 H new ATOM 0 HE1 TRP A 434 4.746 -12.597 -0.448 1.00 0.18 H new ATOM 0 HE3 TRP A 434 7.921 -9.285 2.318 1.00 0.17 H new ATOM 0 HZ2 TRP A 434 5.385 -13.545 2.112 1.00 0.19 H new ATOM 0 HZ3 TRP A 434 7.899 -10.829 4.228 1.00 0.19 H new ATOM 0 HH2 TRP A 434 6.647 -12.935 4.124 1.00 0.19 H new ATOM 1491 N LYS A 435 9.572 -10.398 -1.231 1.00 0.17 N ATOM 1492 CA LYS A 435 10.733 -11.060 -0.702 1.00 0.19 C ATOM 1493 C LYS A 435 12.008 -10.636 -1.372 1.00 0.20 C ATOM 1494 O LYS A 435 13.093 -10.774 -0.809 1.00 0.22 O ATOM 1495 CB LYS A 435 10.559 -12.523 -0.872 1.00 0.20 C ATOM 1496 CG LYS A 435 9.465 -13.016 -0.014 1.00 0.22 C ATOM 1497 CD LYS A 435 9.400 -14.491 -0.066 1.00 0.26 C ATOM 1498 CE LYS A 435 8.188 -14.942 0.658 1.00 0.35 C ATOM 1499 NZ LYS A 435 8.421 -16.176 1.454 1.00 0.64 N1+ ATOM 0 H LYS A 435 8.905 -11.027 -1.678 1.00 0.17 H new ATOM 0 HA LYS A 435 10.819 -10.784 0.349 1.00 0.19 H new ATOM 0 HB2 LYS A 435 10.341 -12.751 -1.916 1.00 0.20 H new ATOM 0 HB3 LYS A 435 11.487 -13.037 -0.620 1.00 0.20 H new ATOM 0 HG2 LYS A 435 9.623 -12.688 1.013 1.00 0.22 H new ATOM 0 HG3 LYS A 435 8.516 -12.591 -0.342 1.00 0.22 H new ATOM 0 HD2 LYS A 435 9.370 -14.831 -1.101 1.00 0.26 H new ATOM 0 HD3 LYS A 435 10.292 -14.924 0.386 1.00 0.26 H new ATOM 0 HE2 LYS A 435 7.848 -14.146 1.321 1.00 0.35 H new ATOM 0 HE3 LYS A 435 7.388 -15.123 -0.059 1.00 0.35 H new ATOM 0 HZ1 LYS A 435 7.542 -16.447 1.939 1.00 0.64 H new ATOM 0 HZ2 LYS A 435 8.719 -16.946 0.822 1.00 0.64 H new ATOM 0 HZ3 LYS A 435 9.165 -15.999 2.159 1.00 0.64 H new ATOM 1513 N THR A 436 11.875 -10.141 -2.571 1.00 0.19 N ATOM 1514 CA THR A 436 13.018 -9.747 -3.342 1.00 0.21 C ATOM 1515 C THR A 436 12.970 -8.258 -3.627 1.00 0.19 C ATOM 1516 O THR A 436 13.982 -7.554 -3.566 1.00 0.23 O ATOM 1517 CB THR A 436 13.041 -10.526 -4.665 1.00 0.22 C ATOM 1518 OG1 THR A 436 11.898 -10.187 -5.460 1.00 0.21 O ATOM 1519 CG2 THR A 436 13.013 -12.009 -4.378 1.00 0.25 C ATOM 0 H THR A 436 10.979 -10.001 -3.037 1.00 0.19 H new ATOM 0 HA THR A 436 13.921 -9.969 -2.774 1.00 0.21 H new ATOM 0 HB THR A 436 13.950 -10.266 -5.208 1.00 0.22 H new ATOM 0 HG1 THR A 436 11.125 -10.040 -4.876 1.00 0.21 H new ATOM 0 HG21 THR A 436 13.029 -12.562 -5.317 1.00 0.25 H new ATOM 0 HG22 THR A 436 13.884 -12.281 -3.782 1.00 0.25 H new ATOM 0 HG23 THR A 436 12.105 -12.256 -3.827 1.00 0.25 H new ATOM 1527 N ARG A 437 11.761 -7.785 -3.886 1.00 0.16 N ATOM 1528 CA ARG A 437 11.547 -6.439 -4.391 1.00 0.15 C ATOM 1529 C ARG A 437 11.630 -5.391 -3.296 1.00 0.17 C ATOM 1530 O ARG A 437 11.744 -4.197 -3.566 1.00 0.20 O ATOM 1531 CB ARG A 437 10.209 -6.393 -5.079 1.00 0.14 C ATOM 1532 CG ARG A 437 10.049 -7.473 -6.100 1.00 0.15 C ATOM 1533 CD ARG A 437 9.316 -6.983 -7.326 1.00 0.17 C ATOM 1534 NE ARG A 437 10.126 -6.040 -8.100 1.00 0.23 N ATOM 1535 CZ ARG A 437 10.546 -6.250 -9.352 1.00 0.30 C ATOM 1536 NH1 ARG A 437 10.331 -7.415 -9.952 1.00 0.34 N1+ ATOM 1537 NH2 ARG A 437 11.233 -5.310 -9.988 1.00 0.36 N ATOM 0 H ARG A 437 10.904 -8.321 -3.753 1.00 0.16 H new ATOM 0 HA ARG A 437 12.342 -6.202 -5.098 1.00 0.15 H new ATOM 0 HB2 ARG A 437 9.418 -6.483 -4.334 1.00 0.14 H new ATOM 0 HB3 ARG A 437 10.085 -5.423 -5.560 1.00 0.14 H new ATOM 0 HG2 ARG A 437 11.031 -7.848 -6.389 1.00 0.15 H new ATOM 0 HG3 ARG A 437 9.505 -8.310 -5.662 1.00 0.15 H new ATOM 0 HD2 ARG A 437 9.048 -7.833 -7.954 1.00 0.17 H new ATOM 0 HD3 ARG A 437 8.385 -6.502 -7.026 1.00 0.17 H new ATOM 0 HE ARG A 437 10.388 -5.162 -7.653 1.00 0.23 H new ATOM 0 HH11 ARG A 437 9.841 -8.161 -9.458 1.00 0.34 H new ATOM 0 HH12 ARG A 437 10.656 -7.564 -10.907 1.00 0.34 H new ATOM 0 HH21 ARG A 437 11.441 -4.427 -9.522 1.00 0.36 H new ATOM 0 HH22 ARG A 437 11.553 -5.470 -10.943 1.00 0.36 H new ATOM 1551 N GLY A 438 11.563 -5.852 -2.068 1.00 0.16 N ATOM 1552 CA GLY A 438 12.067 -5.062 -0.953 1.00 0.17 C ATOM 1553 C GLY A 438 11.197 -3.896 -0.508 1.00 0.17 C ATOM 1554 O GLY A 438 11.720 -2.837 -0.158 1.00 0.21 O ATOM 0 H GLY A 438 11.171 -6.758 -1.811 1.00 0.16 H new ATOM 0 HA2 GLY A 438 12.212 -5.726 -0.101 1.00 0.17 H new ATOM 0 HA3 GLY A 438 13.048 -4.673 -1.225 1.00 0.17 H new ATOM 1558 N SER A 439 9.891 -4.082 -0.472 1.00 0.15 N ATOM 1559 CA SER A 439 8.999 -3.047 0.041 1.00 0.16 C ATOM 1560 C SER A 439 8.962 -3.127 1.572 1.00 0.14 C ATOM 1561 O SER A 439 8.850 -4.200 2.123 1.00 0.20 O ATOM 1562 CB SER A 439 7.603 -3.289 -0.515 1.00 0.22 C ATOM 1563 OG SER A 439 7.650 -3.525 -1.910 1.00 0.47 O ATOM 0 H SER A 439 9.422 -4.931 -0.788 1.00 0.15 H new ATOM 0 HA SER A 439 9.353 -2.061 -0.261 1.00 0.16 H new ATOM 0 HB2 SER A 439 7.150 -4.144 -0.012 1.00 0.22 H new ATOM 0 HB3 SER A 439 6.970 -2.426 -0.309 1.00 0.22 H new ATOM 0 HG SER A 439 6.741 -3.659 -2.250 1.00 0.47 H new ATOM 1569 N HIS A 440 9.067 -2.006 2.261 1.00 0.14 N ATOM 1570 CA HIS A 440 9.169 -2.022 3.723 1.00 0.16 C ATOM 1571 C HIS A 440 7.839 -1.670 4.349 1.00 0.16 C ATOM 1572 O HIS A 440 7.675 -0.597 4.924 1.00 0.21 O ATOM 1573 CB HIS A 440 10.222 -1.038 4.232 1.00 0.22 C ATOM 1574 CG HIS A 440 11.611 -1.329 3.813 1.00 0.26 C ATOM 1575 ND1 HIS A 440 12.106 -0.969 2.589 1.00 0.33 N ATOM 1576 CD2 HIS A 440 12.638 -1.890 4.488 1.00 0.30 C ATOM 1577 CE1 HIS A 440 13.371 -1.289 2.526 1.00 0.41 C ATOM 1578 NE2 HIS A 440 13.724 -1.850 3.661 1.00 0.38 N ATOM 0 H HIS A 440 9.085 -1.076 1.843 1.00 0.14 H new ATOM 0 HA HIS A 440 9.465 -3.032 4.008 1.00 0.16 H new ATOM 0 HB2 HIS A 440 9.958 -0.038 3.888 1.00 0.22 H new ATOM 0 HB3 HIS A 440 10.184 -1.021 5.321 1.00 0.22 H new ATOM 0 HD2 HIS A 440 12.606 -2.293 5.490 1.00 0.30 H new ATOM 0 HE1 HIS A 440 14.020 -1.120 1.680 1.00 0.41 H new ATOM 0 HE2 HIS A 440 14.656 -2.198 3.887 1.00 0.38 H new ATOM 1587 N GLY A 441 6.892 -2.586 4.221 1.00 0.15 N ATOM 1588 CA GLY A 441 5.566 -2.374 4.751 1.00 0.16 C ATOM 1589 C GLY A 441 4.726 -1.580 3.788 1.00 0.15 C ATOM 1590 O GLY A 441 3.526 -1.435 3.961 1.00 0.18 O ATOM 0 H GLY A 441 7.023 -3.483 3.753 1.00 0.15 H new ATOM 0 HA2 GLY A 441 5.091 -3.335 4.949 1.00 0.16 H new ATOM 0 HA3 GLY A 441 5.630 -1.848 5.704 1.00 0.16 H new ATOM 1594 N CYS A 442 5.371 -1.089 2.754 1.00 0.14 N ATOM 1595 CA CYS A 442 4.730 -0.234 1.782 1.00 0.16 C ATOM 1596 C CYS A 442 4.223 -1.050 0.606 1.00 0.18 C ATOM 1597 O CYS A 442 4.944 -1.861 0.022 1.00 0.28 O ATOM 1598 CB CYS A 442 5.723 0.823 1.330 1.00 0.20 C ATOM 1599 SG CYS A 442 7.276 0.168 0.668 1.00 0.83 S ATOM 0 H CYS A 442 6.356 -1.272 2.563 1.00 0.14 H new ATOM 0 HA CYS A 442 3.867 0.256 2.233 1.00 0.16 H new ATOM 0 HB2 CYS A 442 5.251 1.443 0.567 1.00 0.20 H new ATOM 0 HB3 CYS A 442 5.950 1.474 2.174 1.00 0.20 H new ATOM 0 HG CYS A 442 8.046 1.153 0.312 1.00 0.83 H new ATOM 1605 N ILE A 443 2.959 -0.841 0.291 1.00 0.13 N ATOM 1606 CA ILE A 443 2.263 -1.638 -0.697 1.00 0.12 C ATOM 1607 C ILE A 443 2.415 -1.030 -2.070 1.00 0.12 C ATOM 1608 O ILE A 443 1.915 0.062 -2.340 1.00 0.15 O ATOM 1609 CB ILE A 443 0.766 -1.799 -0.340 1.00 0.11 C ATOM 1610 CG1 ILE A 443 0.593 -2.823 0.787 1.00 0.10 C ATOM 1611 CG2 ILE A 443 -0.043 -2.217 -1.565 1.00 0.10 C ATOM 1612 CD1 ILE A 443 1.347 -2.512 2.053 1.00 0.10 C ATOM 0 H ILE A 443 2.386 -0.112 0.715 1.00 0.13 H new ATOM 0 HA ILE A 443 2.714 -2.630 -0.701 1.00 0.12 H new ATOM 0 HB ILE A 443 0.392 -0.834 0.003 1.00 0.11 H new ATOM 0 HG12 ILE A 443 -0.468 -2.903 1.025 1.00 0.10 H new ATOM 0 HG13 ILE A 443 0.913 -3.799 0.422 1.00 0.10 H new ATOM 0 HG21 ILE A 443 -1.092 -2.324 -1.289 1.00 0.10 H new ATOM 0 HG22 ILE A 443 0.053 -1.457 -2.341 1.00 0.10 H new ATOM 0 HG23 ILE A 443 0.332 -3.169 -1.941 1.00 0.10 H new ATOM 0 HD11 ILE A 443 1.160 -3.294 2.789 1.00 0.10 H new ATOM 0 HD12 ILE A 443 2.414 -2.463 1.838 1.00 0.10 H new ATOM 0 HD13 ILE A 443 1.013 -1.553 2.450 1.00 0.10 H new ATOM 1624 N ASN A 444 3.125 -1.745 -2.922 1.00 0.14 N ATOM 1625 CA ASN A 444 3.406 -1.269 -4.264 1.00 0.16 C ATOM 1626 C ASN A 444 2.194 -1.433 -5.167 1.00 0.11 C ATOM 1627 O ASN A 444 2.011 -2.479 -5.781 1.00 0.12 O ATOM 1628 CB ASN A 444 4.618 -1.987 -4.880 1.00 0.30 C ATOM 1629 CG ASN A 444 5.940 -1.679 -4.195 1.00 0.88 C ATOM 1630 OD1 ASN A 444 6.988 -1.711 -4.825 1.00 1.56 O ATOM 1631 ND2 ASN A 444 5.913 -1.388 -2.904 1.00 1.77 N ATOM 0 H ASN A 444 3.519 -2.661 -2.708 1.00 0.14 H new ATOM 0 HA ASN A 444 3.644 -0.208 -4.182 1.00 0.16 H new ATOM 0 HB2 ASN A 444 4.445 -3.063 -4.845 1.00 0.30 H new ATOM 0 HB3 ASN A 444 4.694 -1.711 -5.932 1.00 0.30 H new ATOM 0 HD21 ASN A 444 6.781 -1.183 -2.409 1.00 1.77 H new ATOM 0 HD22 ASN A 444 5.024 -1.369 -2.404 1.00 1.77 H new ATOM 1638 N THR A 445 1.369 -0.404 -5.231 1.00 0.11 N ATOM 1639 CA THR A 445 0.244 -0.370 -6.135 1.00 0.10 C ATOM 1640 C THR A 445 0.680 0.236 -7.448 1.00 0.11 C ATOM 1641 O THR A 445 1.453 1.185 -7.484 1.00 0.14 O ATOM 1642 CB THR A 445 -0.894 0.446 -5.500 1.00 0.11 C ATOM 1643 OG1 THR A 445 -1.230 -0.135 -4.239 1.00 0.18 O ATOM 1644 CG2 THR A 445 -2.116 0.489 -6.394 1.00 0.14 C ATOM 0 H THR A 445 1.464 0.432 -4.654 1.00 0.11 H new ATOM 0 HA THR A 445 -0.120 -1.380 -6.324 1.00 0.10 H new ATOM 0 HB THR A 445 -0.553 1.472 -5.364 1.00 0.11 H new ATOM 0 HG1 THR A 445 -2.156 -0.455 -4.263 1.00 0.18 H new ATOM 0 HG21 THR A 445 -2.899 1.074 -5.912 1.00 0.14 H new ATOM 0 HG22 THR A 445 -1.854 0.949 -7.347 1.00 0.14 H new ATOM 0 HG23 THR A 445 -2.476 -0.525 -6.567 1.00 0.14 H new ATOM 1652 N PRO A 446 0.237 -0.354 -8.545 1.00 0.09 N ATOM 1653 CA PRO A 446 0.558 0.125 -9.875 1.00 0.08 C ATOM 1654 C PRO A 446 0.170 1.574 -10.043 1.00 0.09 C ATOM 1655 O PRO A 446 -0.916 1.973 -9.655 1.00 0.12 O ATOM 1656 CB PRO A 446 -0.276 -0.750 -10.780 1.00 0.09 C ATOM 1657 CG PRO A 446 -0.514 -1.984 -9.985 1.00 0.10 C ATOM 1658 CD PRO A 446 -0.614 -1.540 -8.574 1.00 0.09 C ATOM 0 HA PRO A 446 1.625 0.073 -10.089 1.00 0.08 H new ATOM 0 HB2 PRO A 446 -1.214 -0.264 -11.049 1.00 0.09 H new ATOM 0 HB3 PRO A 446 0.247 -0.971 -11.711 1.00 0.09 H new ATOM 0 HG2 PRO A 446 -1.428 -2.485 -10.304 1.00 0.10 H new ATOM 0 HG3 PRO A 446 0.301 -2.696 -10.114 1.00 0.10 H new ATOM 0 HD2 PRO A 446 -1.642 -1.307 -8.296 1.00 0.09 H new ATOM 0 HD3 PRO A 446 -0.263 -2.307 -7.883 1.00 0.09 H new ATOM 1666 N PRO A 447 1.049 2.366 -10.647 1.00 0.09 N ATOM 1667 CA PRO A 447 0.903 3.825 -10.761 1.00 0.09 C ATOM 1668 C PRO A 447 -0.393 4.233 -11.399 1.00 0.09 C ATOM 1669 O PRO A 447 -0.983 5.259 -11.061 1.00 0.16 O ATOM 1670 CB PRO A 447 2.076 4.172 -11.664 1.00 0.10 C ATOM 1671 CG PRO A 447 3.079 3.176 -11.250 1.00 0.10 C ATOM 1672 CD PRO A 447 2.281 1.918 -11.303 1.00 0.09 C ATOM 0 HA PRO A 447 0.895 4.330 -9.795 1.00 0.09 H new ATOM 0 HB2 PRO A 447 1.820 4.081 -12.720 1.00 0.10 H new ATOM 0 HB3 PRO A 447 2.425 5.193 -11.508 1.00 0.10 H new ATOM 0 HG2 PRO A 447 3.934 3.149 -11.925 1.00 0.10 H new ATOM 0 HG3 PRO A 447 3.467 3.375 -10.251 1.00 0.10 H new ATOM 0 HD2 PRO A 447 2.109 1.577 -12.324 1.00 0.09 H new ATOM 0 HD3 PRO A 447 2.762 1.098 -10.770 1.00 0.09 H new ATOM 1680 N SER A 448 -0.841 3.406 -12.306 1.00 0.08 N ATOM 1681 CA SER A 448 -2.054 3.676 -13.015 1.00 0.09 C ATOM 1682 C SER A 448 -3.253 3.304 -12.156 1.00 0.09 C ATOM 1683 O SER A 448 -4.264 3.997 -12.144 1.00 0.11 O ATOM 1684 CB SER A 448 -2.089 2.912 -14.326 1.00 0.11 C ATOM 1685 OG SER A 448 -1.073 3.368 -15.205 1.00 1.17 O ATOM 0 H SER A 448 -0.378 2.536 -12.569 1.00 0.08 H new ATOM 0 HA SER A 448 -2.096 4.742 -13.239 1.00 0.09 H new ATOM 0 HB2 SER A 448 -1.959 1.847 -14.134 1.00 0.11 H new ATOM 0 HB3 SER A 448 -3.064 3.034 -14.797 1.00 0.11 H new ATOM 0 HG SER A 448 -1.113 2.861 -16.043 1.00 1.17 H new ATOM 1691 N VAL A 449 -3.114 2.210 -11.421 1.00 0.08 N ATOM 1692 CA VAL A 449 -4.173 1.731 -10.551 1.00 0.09 C ATOM 1693 C VAL A 449 -4.228 2.526 -9.248 1.00 0.10 C ATOM 1694 O VAL A 449 -5.287 2.687 -8.645 1.00 0.11 O ATOM 1695 CB VAL A 449 -3.973 0.252 -10.231 1.00 0.11 C ATOM 1696 CG1 VAL A 449 -5.054 -0.226 -9.278 1.00 0.17 C ATOM 1697 CG2 VAL A 449 -3.969 -0.576 -11.504 1.00 0.10 C ATOM 0 H VAL A 449 -2.271 1.635 -11.412 1.00 0.08 H new ATOM 0 HA VAL A 449 -5.116 1.867 -11.081 1.00 0.09 H new ATOM 0 HB VAL A 449 -3.005 0.127 -9.747 1.00 0.11 H new ATOM 0 HG11 VAL A 449 -4.902 -1.282 -9.056 1.00 0.17 H new ATOM 0 HG12 VAL A 449 -5.005 0.350 -8.354 1.00 0.17 H new ATOM 0 HG13 VAL A 449 -6.032 -0.089 -9.739 1.00 0.17 H new ATOM 0 HG21 VAL A 449 -3.825 -1.627 -11.254 1.00 0.10 H new ATOM 0 HG22 VAL A 449 -4.921 -0.453 -12.021 1.00 0.10 H new ATOM 0 HG23 VAL A 449 -3.158 -0.243 -12.152 1.00 0.10 H new ATOM 1707 N MET A 450 -3.089 3.035 -8.819 1.00 0.10 N ATOM 1708 CA MET A 450 -3.006 3.825 -7.624 1.00 0.11 C ATOM 1709 C MET A 450 -3.763 5.130 -7.812 1.00 0.10 C ATOM 1710 O MET A 450 -4.140 5.786 -6.871 1.00 0.14 O ATOM 1711 CB MET A 450 -1.538 4.057 -7.351 1.00 0.13 C ATOM 1712 CG MET A 450 -1.287 4.710 -6.042 1.00 0.13 C ATOM 1713 SD MET A 450 -2.370 4.102 -4.758 1.00 0.46 S ATOM 1714 CE MET A 450 -2.424 5.568 -3.757 1.00 0.10 C ATOM 0 H MET A 450 -2.197 2.907 -9.297 1.00 0.10 H new ATOM 0 HA MET A 450 -3.462 3.319 -6.773 1.00 0.11 H new ATOM 0 HB2 MET A 450 -1.013 3.102 -7.381 1.00 0.13 H new ATOM 0 HB3 MET A 450 -1.120 4.675 -8.145 1.00 0.13 H new ATOM 0 HG2 MET A 450 -0.251 4.543 -5.749 1.00 0.13 H new ATOM 0 HG3 MET A 450 -1.419 5.787 -6.145 1.00 0.13 H new ATOM 0 HE1 MET A 450 -3.369 5.604 -3.216 1.00 0.10 H new ATOM 0 HE2 MET A 450 -1.599 5.553 -3.045 1.00 0.10 H new ATOM 0 HE3 MET A 450 -2.337 6.448 -4.395 1.00 0.10 H new ATOM 1724 N LYS A 451 -3.959 5.475 -9.073 1.00 0.11 N ATOM 1725 CA LYS A 451 -4.730 6.631 -9.502 1.00 0.11 C ATOM 1726 C LYS A 451 -6.206 6.388 -9.384 1.00 0.10 C ATOM 1727 O LYS A 451 -7.016 7.305 -9.291 1.00 0.14 O ATOM 1728 CB LYS A 451 -4.393 6.843 -10.946 1.00 0.14 C ATOM 1729 CG LYS A 451 -4.837 8.163 -11.479 1.00 0.22 C ATOM 1730 CD LYS A 451 -3.921 8.663 -12.556 1.00 0.68 C ATOM 1731 CE LYS A 451 -3.448 7.527 -13.399 1.00 0.63 C ATOM 1732 NZ LYS A 451 -3.317 7.884 -14.836 1.00 0.81 N1+ ATOM 0 H LYS A 451 -3.574 4.941 -9.852 1.00 0.11 H new ATOM 0 HA LYS A 451 -4.489 7.492 -8.879 1.00 0.11 H new ATOM 0 HB2 LYS A 451 -3.314 6.754 -11.075 1.00 0.14 H new ATOM 0 HB3 LYS A 451 -4.851 6.050 -11.537 1.00 0.14 H new ATOM 0 HG2 LYS A 451 -5.849 8.074 -11.874 1.00 0.22 H new ATOM 0 HG3 LYS A 451 -4.875 8.889 -10.667 1.00 0.22 H new ATOM 0 HD2 LYS A 451 -4.441 9.393 -13.176 1.00 0.68 H new ATOM 0 HD3 LYS A 451 -3.068 9.174 -12.110 1.00 0.68 H new ATOM 0 HE2 LYS A 451 -2.483 7.183 -13.027 1.00 0.63 H new ATOM 0 HE3 LYS A 451 -4.144 6.694 -13.299 1.00 0.63 H new ATOM 0 HZ1 LYS A 451 -2.985 7.056 -15.371 1.00 0.81 H new ATOM 0 HZ2 LYS A 451 -4.241 8.186 -15.204 1.00 0.81 H new ATOM 0 HZ3 LYS A 451 -2.632 8.660 -14.940 1.00 0.81 H new ATOM 1746 N GLU A 452 -6.524 5.126 -9.451 1.00 0.09 N ATOM 1747 CA GLU A 452 -7.870 4.652 -9.378 1.00 0.08 C ATOM 1748 C GLU A 452 -8.244 4.630 -7.952 1.00 0.07 C ATOM 1749 O GLU A 452 -9.311 5.058 -7.546 1.00 0.08 O ATOM 1750 CB GLU A 452 -7.902 3.251 -9.935 1.00 0.08 C ATOM 1751 CG GLU A 452 -7.230 3.133 -11.270 1.00 0.09 C ATOM 1752 CD GLU A 452 -8.086 3.589 -12.432 1.00 0.13 C ATOM 1753 OE1 GLU A 452 -8.306 4.814 -12.573 1.00 0.31 O1- ATOM 1754 OE2 GLU A 452 -8.533 2.728 -13.221 1.00 0.38 O ATOM 0 H GLU A 452 -5.834 4.383 -9.561 1.00 0.09 H new ATOM 0 HA GLU A 452 -8.557 5.283 -9.941 1.00 0.08 H new ATOM 0 HB2 GLU A 452 -7.418 2.575 -9.230 1.00 0.08 H new ATOM 0 HB3 GLU A 452 -8.939 2.927 -10.027 1.00 0.08 H new ATOM 0 HG2 GLU A 452 -6.312 3.720 -11.256 1.00 0.09 H new ATOM 0 HG3 GLU A 452 -6.942 2.094 -11.430 1.00 0.09 H new ATOM 1761 N LEU A 453 -7.312 4.096 -7.217 1.00 0.06 N ATOM 1762 CA LEU A 453 -7.364 4.046 -5.816 1.00 0.05 C ATOM 1763 C LEU A 453 -7.286 5.408 -5.197 1.00 0.05 C ATOM 1764 O LEU A 453 -8.215 5.844 -4.572 1.00 0.05 O ATOM 1765 CB LEU A 453 -6.196 3.294 -5.305 1.00 0.05 C ATOM 1766 CG LEU A 453 -6.299 2.937 -3.865 1.00 0.05 C ATOM 1767 CD1 LEU A 453 -7.449 1.992 -3.675 1.00 0.06 C ATOM 1768 CD2 LEU A 453 -5.004 2.345 -3.392 1.00 0.06 C ATOM 0 H LEU A 453 -6.471 3.672 -7.608 1.00 0.06 H new ATOM 0 HA LEU A 453 -8.312 3.575 -5.557 1.00 0.05 H new ATOM 0 HB2 LEU A 453 -6.079 2.381 -5.889 1.00 0.05 H new ATOM 0 HB3 LEU A 453 -5.296 3.889 -5.459 1.00 0.05 H new ATOM 0 HG LEU A 453 -6.488 3.828 -3.267 1.00 0.05 H new ATOM 0 HD11 LEU A 453 -7.531 1.726 -2.621 1.00 0.06 H new ATOM 0 HD12 LEU A 453 -8.372 2.472 -4.001 1.00 0.06 H new ATOM 0 HD13 LEU A 453 -7.281 1.091 -4.265 1.00 0.06 H new ATOM 0 HD21 LEU A 453 -5.086 2.086 -2.336 1.00 0.06 H new ATOM 0 HD22 LEU A 453 -4.782 1.448 -3.970 1.00 0.06 H new ATOM 0 HD23 LEU A 453 -4.202 3.071 -3.526 1.00 0.06 H new ATOM 1780 N PHE A 454 -6.153 6.069 -5.335 1.00 0.07 N ATOM 1781 CA PHE A 454 -6.009 7.418 -4.824 1.00 0.08 C ATOM 1782 C PHE A 454 -7.192 8.244 -5.315 1.00 0.09 C ATOM 1783 O PHE A 454 -7.620 9.229 -4.707 1.00 0.10 O ATOM 1784 CB PHE A 454 -4.706 8.056 -5.309 1.00 0.13 C ATOM 1785 CG PHE A 454 -4.282 9.258 -4.518 1.00 0.17 C ATOM 1786 CD1 PHE A 454 -3.742 9.119 -3.254 1.00 0.19 C ATOM 1787 CD2 PHE A 454 -4.431 10.528 -5.042 1.00 0.25 C ATOM 1788 CE1 PHE A 454 -3.358 10.228 -2.530 1.00 0.25 C ATOM 1789 CE2 PHE A 454 -4.051 11.642 -4.325 1.00 0.31 C ATOM 1790 CZ PHE A 454 -3.483 11.468 -3.044 1.00 0.29 C ATOM 0 H PHE A 454 -5.322 5.696 -5.795 1.00 0.07 H new ATOM 0 HA PHE A 454 -5.983 7.387 -3.735 1.00 0.08 H new ATOM 0 HB2 PHE A 454 -3.912 7.310 -5.270 1.00 0.13 H new ATOM 0 HB3 PHE A 454 -4.822 8.344 -6.354 1.00 0.13 H new ATOM 0 HD1 PHE A 454 -3.620 8.134 -2.829 1.00 0.19 H new ATOM 0 HD2 PHE A 454 -4.852 10.650 -6.029 1.00 0.25 H new ATOM 0 HE1 PHE A 454 -2.951 10.101 -1.537 1.00 0.25 H new ATOM 0 HE2 PHE A 454 -4.185 12.632 -4.736 1.00 0.31 H new ATOM 0 HZ PHE A 454 -3.150 12.325 -2.478 1.00 0.29 H new ATOM 1800 N GLY A 455 -7.717 7.775 -6.446 1.00 0.09 N ATOM 1801 CA GLY A 455 -8.842 8.383 -7.085 1.00 0.11 C ATOM 1802 C GLY A 455 -10.156 8.100 -6.355 1.00 0.10 C ATOM 1803 O GLY A 455 -11.103 8.877 -6.463 1.00 0.13 O ATOM 0 H GLY A 455 -7.358 6.955 -6.934 1.00 0.09 H new ATOM 0 HA2 GLY A 455 -8.686 9.460 -7.140 1.00 0.11 H new ATOM 0 HA3 GLY A 455 -8.914 8.019 -8.110 1.00 0.11 H new ATOM 1807 N MET A 456 -10.229 6.962 -5.648 1.00 0.08 N ATOM 1808 CA MET A 456 -11.361 6.664 -4.766 1.00 0.09 C ATOM 1809 C MET A 456 -11.105 7.154 -3.352 1.00 0.10 C ATOM 1810 O MET A 456 -11.935 7.824 -2.738 1.00 0.13 O ATOM 1811 CB MET A 456 -11.627 5.155 -4.693 1.00 0.08 C ATOM 1812 CG MET A 456 -10.441 4.289 -4.966 1.00 0.06 C ATOM 1813 SD MET A 456 -10.866 2.626 -5.475 1.00 0.06 S ATOM 1814 CE MET A 456 -11.588 2.964 -7.054 1.00 0.07 C ATOM 0 H MET A 456 -9.515 6.234 -5.672 1.00 0.08 H new ATOM 0 HA MET A 456 -12.224 7.178 -5.190 1.00 0.09 H new ATOM 0 HB2 MET A 456 -12.011 4.917 -3.701 1.00 0.08 H new ATOM 0 HB3 MET A 456 -12.412 4.905 -5.407 1.00 0.08 H new ATOM 0 HG2 MET A 456 -9.834 4.754 -5.743 1.00 0.06 H new ATOM 0 HG3 MET A 456 -9.825 4.238 -4.068 1.00 0.06 H new ATOM 0 HE1 MET A 456 -11.910 2.030 -7.514 1.00 0.07 H new ATOM 0 HE2 MET A 456 -12.448 3.622 -6.928 1.00 0.07 H new ATOM 0 HE3 MET A 456 -10.851 3.449 -7.695 1.00 0.07 H new ATOM 1824 N VAL A 457 -9.939 6.804 -2.858 1.00 0.08 N ATOM 1825 CA VAL A 457 -9.611 6.947 -1.462 1.00 0.10 C ATOM 1826 C VAL A 457 -8.751 8.128 -1.162 1.00 0.17 C ATOM 1827 O VAL A 457 -7.778 8.448 -1.841 1.00 0.23 O ATOM 1828 CB VAL A 457 -8.973 5.667 -0.910 1.00 0.06 C ATOM 1829 CG1 VAL A 457 -8.070 5.034 -1.944 1.00 0.06 C ATOM 1830 CG2 VAL A 457 -8.228 5.924 0.391 1.00 0.10 C ATOM 0 H VAL A 457 -9.186 6.409 -3.421 1.00 0.08 H new ATOM 0 HA VAL A 457 -10.560 7.124 -0.956 1.00 0.10 H new ATOM 0 HB VAL A 457 -9.777 4.966 -0.684 1.00 0.06 H new ATOM 0 HG11 VAL A 457 -7.627 4.127 -1.533 1.00 0.06 H new ATOM 0 HG12 VAL A 457 -8.652 4.784 -2.831 1.00 0.06 H new ATOM 0 HG13 VAL A 457 -7.279 5.734 -2.214 1.00 0.06 H new ATOM 0 HG21 VAL A 457 -7.790 4.992 0.750 1.00 0.10 H new ATOM 0 HG22 VAL A 457 -7.437 6.654 0.219 1.00 0.10 H new ATOM 0 HG23 VAL A 457 -8.922 6.310 1.138 1.00 0.10 H new ATOM 1840 N GLU A 458 -9.163 8.734 -0.095 1.00 0.18 N ATOM 1841 CA GLU A 458 -8.590 9.885 0.459 1.00 0.26 C ATOM 1842 C GLU A 458 -8.532 9.664 1.933 1.00 0.15 C ATOM 1843 O GLU A 458 -8.897 8.580 2.394 1.00 0.08 O ATOM 1844 CB GLU A 458 -9.444 11.076 0.124 1.00 0.42 C ATOM 1845 CG GLU A 458 -10.902 10.788 0.328 1.00 0.46 C ATOM 1846 CD GLU A 458 -11.804 11.926 -0.093 1.00 0.66 C ATOM 1847 OE1 GLU A 458 -12.038 12.092 -1.307 1.00 0.82 O1- ATOM 1848 OE2 GLU A 458 -12.275 12.672 0.790 1.00 0.83 O ATOM 0 H GLU A 458 -9.967 8.402 0.438 1.00 0.18 H new ATOM 0 HA GLU A 458 -7.591 10.074 0.066 1.00 0.26 H new ATOM 0 HB2 GLU A 458 -9.150 11.921 0.746 1.00 0.42 H new ATOM 0 HB3 GLU A 458 -9.272 11.367 -0.912 1.00 0.42 H new ATOM 0 HG2 GLU A 458 -11.170 9.894 -0.235 1.00 0.46 H new ATOM 0 HG3 GLU A 458 -11.077 10.566 1.381 1.00 0.46 H new ATOM 1855 N LYS A 459 -8.057 10.628 2.674 1.00 0.19 N ATOM 1856 CA LYS A 459 -8.032 10.482 4.079 1.00 0.13 C ATOM 1857 C LYS A 459 -9.356 10.104 4.659 1.00 0.14 C ATOM 1858 O LYS A 459 -10.424 10.277 4.067 1.00 0.21 O ATOM 1859 CB LYS A 459 -7.510 11.705 4.741 1.00 0.14 C ATOM 1860 CG LYS A 459 -6.046 11.774 4.670 1.00 0.15 C ATOM 1861 CD LYS A 459 -5.607 13.005 5.332 1.00 0.15 C ATOM 1862 CE LYS A 459 -5.686 14.137 4.375 1.00 0.20 C ATOM 1863 NZ LYS A 459 -5.017 15.368 4.878 1.00 0.24 N1+ ATOM 0 H LYS A 459 -7.688 11.511 2.320 1.00 0.19 H new ATOM 0 HA LYS A 459 -7.352 9.653 4.277 1.00 0.13 H new ATOM 0 HB2 LYS A 459 -7.940 12.588 4.267 1.00 0.14 H new ATOM 0 HB3 LYS A 459 -7.825 11.718 5.784 1.00 0.14 H new ATOM 0 HG2 LYS A 459 -5.602 10.904 5.154 1.00 0.15 H new ATOM 0 HG3 LYS A 459 -5.716 11.764 3.631 1.00 0.15 H new ATOM 0 HD2 LYS A 459 -6.233 13.206 6.202 1.00 0.15 H new ATOM 0 HD3 LYS A 459 -4.585 12.891 5.694 1.00 0.15 H new ATOM 0 HE2 LYS A 459 -5.229 13.841 3.431 1.00 0.20 H new ATOM 0 HE3 LYS A 459 -6.733 14.358 4.167 1.00 0.20 H new ATOM 0 HZ1 LYS A 459 -5.104 16.124 4.169 1.00 0.24 H new ATOM 0 HZ2 LYS A 459 -5.468 15.671 5.765 1.00 0.24 H new ATOM 0 HZ3 LYS A 459 -4.011 15.170 5.052 1.00 0.24 H new ATOM 1877 N GLY A 460 -9.251 9.603 5.850 1.00 0.13 N ATOM 1878 CA GLY A 460 -10.410 9.159 6.552 1.00 0.19 C ATOM 1879 C GLY A 460 -10.685 7.695 6.333 1.00 0.19 C ATOM 1880 O GLY A 460 -11.170 7.002 7.232 1.00 0.37 O ATOM 0 H GLY A 460 -8.372 9.492 6.356 1.00 0.13 H new ATOM 0 HA2 GLY A 460 -10.280 9.347 7.618 1.00 0.19 H new ATOM 0 HA3 GLY A 460 -11.273 9.741 6.229 1.00 0.19 H new ATOM 1884 N THR A 461 -10.349 7.226 5.140 1.00 0.12 N ATOM 1885 CA THR A 461 -10.605 5.871 4.744 1.00 0.10 C ATOM 1886 C THR A 461 -9.566 4.959 5.367 1.00 0.09 C ATOM 1887 O THR A 461 -8.401 5.323 5.502 1.00 0.12 O ATOM 1888 CB THR A 461 -10.580 5.768 3.201 1.00 0.11 C ATOM 1889 OG1 THR A 461 -11.800 6.297 2.663 1.00 0.15 O ATOM 1890 CG2 THR A 461 -10.365 4.331 2.704 1.00 0.08 C ATOM 0 H THR A 461 -9.889 7.788 4.424 1.00 0.12 H new ATOM 0 HA THR A 461 -11.590 5.561 5.092 1.00 0.10 H new ATOM 0 HB THR A 461 -9.730 6.354 2.851 1.00 0.11 H new ATOM 0 HG1 THR A 461 -11.781 6.232 1.685 1.00 0.15 H new ATOM 0 HG21 THR A 461 -10.357 4.320 1.614 1.00 0.08 H new ATOM 0 HG22 THR A 461 -9.413 3.955 3.078 1.00 0.08 H new ATOM 0 HG23 THR A 461 -11.173 3.696 3.067 1.00 0.08 H new ATOM 1898 N PRO A 462 -9.976 3.785 5.806 1.00 0.08 N ATOM 1899 CA PRO A 462 -9.069 2.801 6.295 1.00 0.10 C ATOM 1900 C PRO A 462 -8.341 2.135 5.178 1.00 0.09 C ATOM 1901 O PRO A 462 -8.702 2.247 4.014 1.00 0.10 O ATOM 1902 CB PRO A 462 -9.939 1.761 6.981 1.00 0.12 C ATOM 1903 CG PRO A 462 -11.308 2.272 6.906 1.00 0.09 C ATOM 1904 CD PRO A 462 -11.340 3.308 5.843 1.00 0.07 C ATOM 0 HA PRO A 462 -8.328 3.254 6.954 1.00 0.10 H new ATOM 0 HB2 PRO A 462 -9.855 0.794 6.486 1.00 0.12 H new ATOM 0 HB3 PRO A 462 -9.632 1.617 8.017 1.00 0.12 H new ATOM 0 HG2 PRO A 462 -12.006 1.467 6.677 1.00 0.09 H new ATOM 0 HG3 PRO A 462 -11.612 2.695 7.863 1.00 0.09 H new ATOM 0 HD2 PRO A 462 -11.647 2.891 4.884 1.00 0.07 H new ATOM 0 HD3 PRO A 462 -12.040 4.108 6.082 1.00 0.07 H new ATOM 1912 N VAL A 463 -7.342 1.423 5.545 1.00 0.09 N ATOM 1913 CA VAL A 463 -6.731 0.496 4.647 1.00 0.14 C ATOM 1914 C VAL A 463 -6.541 -0.794 5.387 1.00 0.12 C ATOM 1915 O VAL A 463 -6.456 -0.827 6.612 1.00 0.22 O ATOM 1916 CB VAL A 463 -5.395 0.971 4.028 1.00 0.27 C ATOM 1917 CG1 VAL A 463 -5.400 2.462 3.785 1.00 1.07 C ATOM 1918 CG2 VAL A 463 -4.207 0.567 4.841 1.00 1.09 C ATOM 0 H VAL A 463 -6.920 1.460 6.473 1.00 0.09 H new ATOM 0 HA VAL A 463 -7.397 0.383 3.792 1.00 0.14 H new ATOM 0 HB VAL A 463 -5.306 0.467 3.065 1.00 0.27 H new ATOM 0 HG11 VAL A 463 -4.447 2.763 3.350 1.00 1.07 H new ATOM 0 HG12 VAL A 463 -6.208 2.716 3.100 1.00 1.07 H new ATOM 0 HG13 VAL A 463 -5.548 2.984 4.730 1.00 1.07 H new ATOM 0 HG21 VAL A 463 -3.297 0.927 4.360 1.00 1.09 H new ATOM 0 HG22 VAL A 463 -4.285 0.999 5.839 1.00 1.09 H new ATOM 0 HG23 VAL A 463 -4.171 -0.520 4.918 1.00 1.09 H new ATOM 1928 N LEU A 464 -6.576 -1.846 4.657 1.00 0.07 N ATOM 1929 CA LEU A 464 -6.376 -3.142 5.210 1.00 0.06 C ATOM 1930 C LEU A 464 -5.192 -3.774 4.582 1.00 0.06 C ATOM 1931 O LEU A 464 -4.898 -3.537 3.426 1.00 0.06 O ATOM 1932 CB LEU A 464 -7.573 -3.982 4.901 1.00 0.06 C ATOM 1933 CG LEU A 464 -8.105 -4.804 6.039 1.00 0.08 C ATOM 1934 CD1 LEU A 464 -8.519 -3.900 7.179 1.00 0.12 C ATOM 1935 CD2 LEU A 464 -9.264 -5.619 5.541 1.00 0.13 C ATOM 0 H LEU A 464 -6.745 -1.837 3.651 1.00 0.07 H new ATOM 0 HA LEU A 464 -6.226 -3.060 6.286 1.00 0.06 H new ATOM 0 HB2 LEU A 464 -8.370 -3.329 4.546 1.00 0.06 H new ATOM 0 HB3 LEU A 464 -7.321 -4.653 4.080 1.00 0.06 H new ATOM 0 HG LEU A 464 -7.334 -5.477 6.414 1.00 0.08 H new ATOM 0 HD11 LEU A 464 -8.904 -4.504 8.001 1.00 0.12 H new ATOM 0 HD12 LEU A 464 -7.657 -3.328 7.522 1.00 0.12 H new ATOM 0 HD13 LEU A 464 -9.295 -3.216 6.837 1.00 0.12 H new ATOM 0 HD21 LEU A 464 -9.662 -6.222 6.357 1.00 0.13 H new ATOM 0 HD22 LEU A 464 -10.043 -4.954 5.168 1.00 0.13 H new ATOM 0 HD23 LEU A 464 -8.930 -6.273 4.736 1.00 0.13 H new ATOM 1947 N VAL A 465 -4.490 -4.512 5.376 1.00 0.06 N ATOM 1948 CA VAL A 465 -3.508 -5.427 4.903 1.00 0.06 C ATOM 1949 C VAL A 465 -3.578 -6.646 5.801 1.00 0.08 C ATOM 1950 O VAL A 465 -3.920 -6.515 6.981 1.00 0.09 O ATOM 1951 CB VAL A 465 -2.080 -4.826 4.840 1.00 0.06 C ATOM 1952 CG1 VAL A 465 -2.080 -3.330 4.519 1.00 0.07 C ATOM 1953 CG2 VAL A 465 -1.293 -5.103 6.065 1.00 0.07 C ATOM 0 H VAL A 465 -4.585 -4.495 6.391 1.00 0.06 H new ATOM 0 HA VAL A 465 -3.724 -5.692 3.868 1.00 0.06 H new ATOM 0 HB VAL A 465 -1.588 -5.335 4.011 1.00 0.06 H new ATOM 0 HG11 VAL A 465 -1.054 -2.965 4.488 1.00 0.07 H new ATOM 0 HG12 VAL A 465 -2.553 -3.166 3.551 1.00 0.07 H new ATOM 0 HG13 VAL A 465 -2.633 -2.793 5.289 1.00 0.07 H new ATOM 0 HG21 VAL A 465 -0.302 -4.660 5.968 1.00 0.07 H new ATOM 0 HG22 VAL A 465 -1.800 -4.672 6.928 1.00 0.07 H new ATOM 0 HG23 VAL A 465 -1.198 -6.180 6.200 1.00 0.07 H new ATOM 1963 N PHE A 466 -3.325 -7.819 5.251 1.00 0.11 N ATOM 1964 CA PHE A 466 -3.450 -9.055 6.006 1.00 0.14 C ATOM 1965 C PHE A 466 -2.669 -10.179 5.344 1.00 0.19 C ATOM 1966 O PHE A 466 -1.994 -10.935 6.069 1.00 1.16 O ATOM 1967 CB PHE A 466 -4.924 -9.433 6.176 1.00 0.13 C ATOM 1968 CG PHE A 466 -5.720 -9.414 4.904 1.00 0.12 C ATOM 1969 CD1 PHE A 466 -5.634 -10.442 3.978 1.00 0.14 C ATOM 1970 CD2 PHE A 466 -6.559 -8.354 4.639 1.00 0.14 C ATOM 1971 CE1 PHE A 466 -6.372 -10.403 2.810 1.00 0.18 C ATOM 1972 CE2 PHE A 466 -7.296 -8.316 3.483 1.00 0.17 C ATOM 1973 CZ PHE A 466 -7.207 -9.333 2.569 1.00 0.19 C ATOM 1974 OXT PHE A 466 -2.713 -10.286 4.101 1.00 1.08 O ATOM 0 H PHE A 466 -3.031 -7.943 4.282 1.00 0.11 H new ATOM 0 HA PHE A 466 -3.024 -8.895 6.996 1.00 0.14 H new ATOM 0 HB2 PHE A 466 -4.983 -10.430 6.612 1.00 0.13 H new ATOM 0 HB3 PHE A 466 -5.383 -8.746 6.888 1.00 0.13 H new ATOM 0 HD1 PHE A 466 -4.984 -11.282 4.171 1.00 0.14 H new ATOM 0 HD2 PHE A 466 -6.637 -7.544 5.349 1.00 0.14 H new ATOM 0 HE1 PHE A 466 -6.295 -11.205 2.091 1.00 0.18 H new ATOM 0 HE2 PHE A 466 -7.951 -7.479 3.292 1.00 0.17 H new ATOM 0 HZ PHE A 466 -7.790 -9.296 1.661 1.00 0.19 H new TER 1984 PHE A 466