USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=33 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 411 MET CE :methyl -171:sc= -6.22! (180deg=-6.64!) USER MOD Set 1.2: A 450 MET CE :methyl 153:sc= -4.61! (180deg=-6.35!) USER MOD Set 2.1: A 421 HIS : no HD1:sc= -4.22! C(o=-21!,f=-29!) USER MOD Set 2.2: A 423 SER OG : rot -59:sc= -1.49! USER MOD Set 2.3: A 426 GLN : amide:sc= -4.38! C(o=-21!,f=-30!) USER MOD Set 2.4: A 442 CYS SG : rot 180:sc= 0.00229 USER MOD Set 2.5: A 444 ASN : amide:sc= -10.6! C(o=-21!,f=-30!) USER MOD Set 3.1: A 372 LYS NZ :NH3+ 173:sc= -0.0588 (180deg=0) USER MOD Set 3.2: A 374 THR OG1 : rot 170:sc= -2.71! USER MOD Set 3.3: A 375 THR OG1 : rot -140:sc= -0.657 USER MOD Set 3.4: A 397 ASN : amide:sc= -0.561! K(o=-7.1!,f=-10) USER MOD Set 3.5: A 401 THR OG1 : rot 180:sc= -2.27! USER MOD Set 3.6: A 440 HIS : no HD1:sc= -0.825 K(o=-7.1,f=-11!) USER MOD Set 4.1: A 352 GLN : amide:sc= -12.4! C(o=-14!,f=-12!) USER MOD Set 4.2: A 370 SER OG : rot -151:sc= -1.46! USER MOD Set 4.3: A 377 THR OG1 : rot -140:sc= -0.457 USER MOD Single : A 339 HIS : no HD1:sc= -1.49 X(o=-1.5,f=-1.1) USER MOD Single : A 340 MET CE :methyl -162:sc= -0.409 (180deg=-1.43) USER MOD Single : A 343 THR OG1 : rot 180:sc= 0 USER MOD Single : A 344 TYR OH : rot 98:sc= 1.26 USER MOD Single : A 351 ASN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 353 HIS : no HE2:sc= -2.32! C(o=-2.3!,f=-5!) USER MOD Single : A 354 MET CE :methyl -178:sc= -6.43! (180deg=-6.55!) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 357 TYR OH : rot 126:sc= 1.3 USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 70:sc= -2.24! USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 386 ASN : amide:sc= -1.29 K(o=-1.3,f=-0.23) USER MOD Single : A 387 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.031) 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= 0.0464 USER MOD Single : A 403 TYR OH : rot 30:sc= -1.76! USER MOD Single : A 405 SER OG : rot 45:sc= -3.89! USER MOD Single : A 408 ASN : amide:sc= -1.31! K(o=-1.3!,f=-0.16) USER MOD Single : A 409 TYR OH : rot 150:sc= 0 USER MOD Single : A 416 THR OG1 : rot -96:sc= 1.28 USER MOD Single : A 429 TYR OH : rot 180:sc= 0 USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot -36:sc= 0.353 USER MOD Single : A 439 SER OG : rot 176:sc= 0.474 USER MOD Single : A 445 THR OG1 : rot -103:sc= 1.11 USER MOD Single : A 448 SER OG : rot 180:sc= 0.0275 USER MOD Single : A 451 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 MET CE :methyl 177:sc= -4.73! (180deg=-4.82!) 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 -11.994 -9.515 1.503 1.00 3.94 N ATOM 2 CA GLY A 338 -12.973 -10.083 2.460 1.00 3.08 C ATOM 3 C GLY A 338 -12.441 -10.041 3.869 1.00 2.42 C ATOM 4 O GLY A 338 -11.751 -10.962 4.312 1.00 2.77 O ATOM 0 HA2 GLY A 338 -13.907 -9.524 2.404 1.00 3.08 H new ATOM 0 HA3 GLY A 338 -13.200 -11.113 2.184 1.00 3.08 H new ATOM 10 N HIS A 339 -12.761 -8.965 4.567 1.00 1.85 N ATOM 11 CA HIS A 339 -12.208 -8.696 5.881 1.00 1.24 C ATOM 12 C HIS A 339 -12.876 -7.468 6.451 1.00 1.07 C ATOM 13 O HIS A 339 -12.446 -6.346 6.197 1.00 1.60 O ATOM 14 CB HIS A 339 -10.707 -8.492 5.758 1.00 1.08 C ATOM 15 CG HIS A 339 -9.940 -8.383 7.042 1.00 0.56 C ATOM 16 ND1 HIS A 339 -8.757 -9.057 7.243 1.00 0.65 N ATOM 17 CD2 HIS A 339 -10.125 -7.617 8.148 1.00 1.00 C ATOM 18 CE1 HIS A 339 -8.245 -8.711 8.404 1.00 1.30 C ATOM 19 NE2 HIS A 339 -9.056 -7.842 8.976 1.00 1.60 N ATOM 0 H HIS A 339 -13.413 -8.253 4.237 1.00 1.85 H new ATOM 0 HA HIS A 339 -12.389 -9.536 6.552 1.00 1.24 H new ATOM 0 HB2 HIS A 339 -10.296 -9.322 5.184 1.00 1.08 H new ATOM 0 HB3 HIS A 339 -10.532 -7.586 5.178 1.00 1.08 H new ATOM 0 HD2 HIS A 339 -10.957 -6.956 8.339 1.00 1.00 H new ATOM 0 HE1 HIS A 339 -7.317 -9.077 8.819 1.00 1.30 H new ATOM 0 HE2 HIS A 339 -8.911 -7.408 9.887 1.00 1.60 H new ATOM 28 N MET A 340 -13.916 -7.720 7.234 1.00 0.83 N ATOM 29 CA MET A 340 -14.811 -6.687 7.750 1.00 0.69 C ATOM 30 C MET A 340 -15.786 -6.233 6.673 1.00 0.64 C ATOM 31 O MET A 340 -15.782 -6.737 5.548 1.00 0.83 O ATOM 32 CB MET A 340 -14.020 -5.505 8.286 1.00 0.61 C ATOM 33 CG MET A 340 -13.467 -5.720 9.663 1.00 0.72 C ATOM 34 SD MET A 340 -12.632 -4.262 10.305 1.00 1.03 S ATOM 35 CE MET A 340 -11.597 -3.875 8.902 1.00 0.58 C ATOM 0 H MET A 340 -14.168 -8.662 7.535 1.00 0.83 H new ATOM 0 HA MET A 340 -15.383 -7.116 8.573 1.00 0.69 H new ATOM 0 HB2 MET A 340 -13.197 -5.291 7.604 1.00 0.61 H new ATOM 0 HB3 MET A 340 -14.663 -4.625 8.296 1.00 0.61 H new ATOM 0 HG2 MET A 340 -14.277 -5.997 10.337 1.00 0.72 H new ATOM 0 HG3 MET A 340 -12.768 -6.556 9.644 1.00 0.72 H new ATOM 0 HE1 MET A 340 -10.791 -3.212 9.216 1.00 0.58 H new ATOM 0 HE2 MET A 340 -11.174 -4.794 8.497 1.00 0.58 H new ATOM 0 HE3 MET A 340 -12.194 -3.382 8.135 1.00 0.58 H new ATOM 45 N GLU A 341 -16.642 -5.303 7.048 1.00 0.56 N ATOM 46 CA GLU A 341 -17.710 -4.839 6.174 1.00 0.57 C ATOM 47 C GLU A 341 -17.564 -3.359 5.865 1.00 0.46 C ATOM 48 O GLU A 341 -18.312 -2.808 5.053 1.00 0.49 O ATOM 49 CB GLU A 341 -19.078 -5.077 6.803 1.00 0.73 C ATOM 50 CG GLU A 341 -19.269 -4.267 8.067 1.00 0.76 C ATOM 51 CD GLU A 341 -20.642 -4.428 8.680 1.00 0.97 C ATOM 52 OE1 GLU A 341 -21.545 -3.642 8.323 1.00 1.10 O ATOM 53 OE2 GLU A 341 -20.822 -5.326 9.527 1.00 1.08 O1- ATOM 0 H GLU A 341 -16.621 -4.848 7.961 1.00 0.56 H new ATOM 0 HA GLU A 341 -17.633 -5.410 5.249 1.00 0.57 H new ATOM 0 HB2 GLU A 341 -19.857 -4.819 6.086 1.00 0.73 H new ATOM 0 HB3 GLU A 341 -19.193 -6.137 7.031 1.00 0.73 H new ATOM 0 HG2 GLU A 341 -18.516 -4.563 8.797 1.00 0.76 H new ATOM 0 HG3 GLU A 341 -19.100 -3.214 7.844 1.00 0.76 H new ATOM 60 N ASP A 342 -16.633 -2.726 6.538 1.00 0.38 N ATOM 61 CA ASP A 342 -16.327 -1.316 6.322 1.00 0.32 C ATOM 62 C ASP A 342 -15.960 -0.988 4.894 1.00 0.25 C ATOM 63 O ASP A 342 -15.774 -1.851 4.032 1.00 0.27 O ATOM 64 CB ASP A 342 -15.188 -0.825 7.181 1.00 0.34 C ATOM 65 CG ASP A 342 -15.603 -0.496 8.598 1.00 0.62 C ATOM 66 OD1 ASP A 342 -15.579 -1.398 9.458 1.00 0.79 O ATOM 67 OD2 ASP A 342 -15.955 0.671 8.858 1.00 0.98 O1- ATOM 0 H ASP A 342 -16.059 -3.169 7.256 1.00 0.38 H new ATOM 0 HA ASP A 342 -17.257 -0.816 6.591 1.00 0.32 H new ATOM 0 HB2 ASP A 342 -14.408 -1.586 7.206 1.00 0.34 H new ATOM 0 HB3 ASP A 342 -14.753 0.063 6.722 1.00 0.34 H new ATOM 72 N THR A 343 -15.971 0.294 4.652 1.00 0.23 N ATOM 73 CA THR A 343 -15.430 0.857 3.455 1.00 0.19 C ATOM 74 C THR A 343 -14.002 1.263 3.751 1.00 0.13 C ATOM 75 O THR A 343 -13.754 2.045 4.668 1.00 0.16 O ATOM 76 CB THR A 343 -16.233 2.092 3.052 1.00 0.24 C ATOM 77 OG1 THR A 343 -17.635 1.801 3.143 1.00 0.45 O ATOM 78 CG2 THR A 343 -15.895 2.509 1.647 1.00 0.20 C ATOM 0 H THR A 343 -16.363 0.984 5.293 1.00 0.23 H new ATOM 0 HA THR A 343 -15.471 0.134 2.640 1.00 0.19 H new ATOM 0 HB THR A 343 -15.981 2.909 3.728 1.00 0.24 H new ATOM 0 HG1 THR A 343 -18.151 2.594 2.886 1.00 0.45 H new ATOM 0 HG21 THR A 343 -16.478 3.390 1.379 1.00 0.20 H new ATOM 0 HG22 THR A 343 -14.832 2.743 1.583 1.00 0.20 H new ATOM 0 HG23 THR A 343 -16.130 1.696 0.960 1.00 0.20 H new ATOM 86 N TYR A 344 -13.087 0.733 2.976 1.00 0.10 N ATOM 87 CA TYR A 344 -11.679 0.917 3.207 1.00 0.07 C ATOM 88 C TYR A 344 -10.880 0.562 1.983 1.00 0.06 C ATOM 89 O TYR A 344 -11.416 0.346 0.904 1.00 0.08 O ATOM 90 CB TYR A 344 -11.207 0.006 4.327 1.00 0.08 C ATOM 91 CG TYR A 344 -11.687 -1.417 4.209 1.00 0.12 C ATOM 92 CD1 TYR A 344 -11.035 -2.323 3.392 1.00 0.14 C ATOM 93 CD2 TYR A 344 -12.802 -1.847 4.897 1.00 0.19 C ATOM 94 CE1 TYR A 344 -11.476 -3.615 3.265 1.00 0.20 C ATOM 95 CE2 TYR A 344 -13.259 -3.142 4.775 1.00 0.25 C ATOM 96 CZ TYR A 344 -12.587 -4.024 3.953 1.00 0.25 C ATOM 97 OH TYR A 344 -13.028 -5.315 3.801 1.00 0.32 O ATOM 0 H TYR A 344 -13.303 0.158 2.162 1.00 0.10 H new ATOM 0 HA TYR A 344 -11.530 1.966 3.465 1.00 0.07 H new ATOM 0 HB2 TYR A 344 -10.117 0.009 4.348 1.00 0.08 H new ATOM 0 HB3 TYR A 344 -11.546 0.414 5.279 1.00 0.08 H new ATOM 0 HD1 TYR A 344 -10.161 -2.006 2.843 1.00 0.14 H new ATOM 0 HD2 TYR A 344 -13.326 -1.158 5.542 1.00 0.19 H new ATOM 0 HE1 TYR A 344 -10.949 -4.307 2.625 1.00 0.20 H new ATOM 0 HE2 TYR A 344 -14.135 -3.464 5.318 1.00 0.25 H new ATOM 0 HH TYR A 344 -12.701 -5.862 4.545 1.00 0.32 H new ATOM 107 N ILE A 345 -9.579 0.522 2.171 1.00 0.05 N ATOM 108 CA ILE A 345 -8.702 -0.077 1.204 1.00 0.05 C ATOM 109 C ILE A 345 -8.277 -1.431 1.735 1.00 0.05 C ATOM 110 O ILE A 345 -8.324 -1.631 2.931 1.00 0.08 O ATOM 111 CB ILE A 345 -7.451 0.770 0.937 1.00 0.06 C ATOM 112 CG1 ILE A 345 -7.799 2.235 0.852 1.00 0.07 C ATOM 113 CG2 ILE A 345 -6.839 0.320 -0.366 1.00 0.06 C ATOM 114 CD1 ILE A 345 -8.840 2.474 -0.179 1.00 0.07 C ATOM 0 H ILE A 345 -9.108 0.902 2.992 1.00 0.05 H new ATOM 0 HA ILE A 345 -9.241 -0.161 0.260 1.00 0.05 H new ATOM 0 HB ILE A 345 -6.746 0.637 1.758 1.00 0.06 H new ATOM 0 HG12 ILE A 345 -8.154 2.585 1.821 1.00 0.07 H new ATOM 0 HG13 ILE A 345 -6.906 2.812 0.613 1.00 0.07 H new ATOM 0 HG21 ILE A 345 -5.947 0.912 -0.573 1.00 0.06 H new ATOM 0 HG22 ILE A 345 -6.567 -0.733 -0.296 1.00 0.06 H new ATOM 0 HG23 ILE A 345 -7.560 0.456 -1.173 1.00 0.06 H new ATOM 0 HD11 ILE A 345 -9.073 3.538 -0.221 1.00 0.07 H new ATOM 0 HD12 ILE A 345 -8.472 2.145 -1.151 1.00 0.07 H new ATOM 0 HD13 ILE A 345 -9.740 1.915 0.076 1.00 0.07 H new ATOM 126 N GLU A 346 -7.869 -2.356 0.886 1.00 0.05 N ATOM 127 CA GLU A 346 -7.475 -3.682 1.370 1.00 0.05 C ATOM 128 C GLU A 346 -6.229 -4.146 0.680 1.00 0.05 C ATOM 129 O GLU A 346 -5.892 -3.682 -0.385 1.00 0.06 O ATOM 130 CB GLU A 346 -8.593 -4.697 1.151 1.00 0.06 C ATOM 131 CG GLU A 346 -8.767 -5.637 2.298 1.00 0.07 C ATOM 132 CD GLU A 346 -9.776 -6.755 2.043 1.00 0.09 C ATOM 133 OE1 GLU A 346 -9.509 -7.626 1.184 1.00 0.12 O ATOM 134 OE2 GLU A 346 -10.836 -6.779 2.713 1.00 0.17 O1- ATOM 0 H GLU A 346 -7.800 -2.226 -0.123 1.00 0.05 H new ATOM 0 HA GLU A 346 -7.281 -3.602 2.440 1.00 0.05 H new ATOM 0 HB2 GLU A 346 -9.529 -4.165 0.980 1.00 0.06 H new ATOM 0 HB3 GLU A 346 -8.383 -5.271 0.248 1.00 0.06 H new ATOM 0 HG2 GLU A 346 -7.801 -6.082 2.538 1.00 0.07 H new ATOM 0 HG3 GLU A 346 -9.083 -5.070 3.173 1.00 0.07 H new ATOM 141 N VAL A 347 -5.522 -5.008 1.357 1.00 0.05 N ATOM 142 CA VAL A 347 -4.281 -5.559 0.891 1.00 0.05 C ATOM 143 C VAL A 347 -4.124 -6.946 1.438 1.00 0.07 C ATOM 144 O VAL A 347 -4.388 -7.200 2.610 1.00 0.08 O ATOM 145 CB VAL A 347 -3.097 -4.734 1.394 1.00 0.06 C ATOM 146 CG1 VAL A 347 -1.795 -5.435 1.075 1.00 0.06 C ATOM 147 CG2 VAL A 347 -3.108 -3.346 0.807 1.00 0.06 C ATOM 0 H VAL A 347 -5.802 -5.356 2.274 1.00 0.05 H new ATOM 0 HA VAL A 347 -4.297 -5.557 -0.199 1.00 0.05 H new ATOM 0 HB VAL A 347 -3.189 -4.638 2.476 1.00 0.06 H new ATOM 0 HG11 VAL A 347 -0.960 -4.836 1.439 1.00 0.06 H new ATOM 0 HG12 VAL A 347 -1.779 -6.411 1.559 1.00 0.06 H new ATOM 0 HG13 VAL A 347 -1.706 -5.564 -0.004 1.00 0.06 H new ATOM 0 HG21 VAL A 347 -2.253 -2.785 1.184 1.00 0.06 H new ATOM 0 HG22 VAL A 347 -3.049 -3.410 -0.280 1.00 0.06 H new ATOM 0 HG23 VAL A 347 -4.030 -2.838 1.091 1.00 0.06 H new ATOM 157 N ASP A 348 -3.681 -7.821 0.595 1.00 0.08 N ATOM 158 CA ASP A 348 -3.376 -9.164 0.993 1.00 0.11 C ATOM 159 C ASP A 348 -1.923 -9.419 0.700 1.00 0.15 C ATOM 160 O ASP A 348 -1.506 -9.348 -0.450 1.00 0.24 O ATOM 161 CB ASP A 348 -4.292 -10.130 0.260 1.00 0.14 C ATOM 162 CG ASP A 348 -4.101 -11.583 0.633 1.00 0.18 C ATOM 163 OD1 ASP A 348 -3.012 -12.123 0.410 1.00 0.33 O ATOM 164 OD2 ASP A 348 -5.064 -12.207 1.127 1.00 0.37 O1- ATOM 0 H ASP A 348 -3.519 -7.628 -0.393 1.00 0.08 H new ATOM 0 HA ASP A 348 -3.544 -9.311 2.060 1.00 0.11 H new ATOM 0 HB2 ASP A 348 -5.327 -9.850 0.458 1.00 0.14 H new ATOM 0 HB3 ASP A 348 -4.132 -10.020 -0.812 1.00 0.14 H new ATOM 169 N LEU A 349 -1.150 -9.633 1.737 1.00 0.13 N ATOM 170 CA LEU A 349 0.277 -9.831 1.600 1.00 0.14 C ATOM 171 C LEU A 349 0.557 -11.122 0.859 1.00 0.20 C ATOM 172 O LEU A 349 1.306 -11.190 -0.099 1.00 0.32 O ATOM 173 CB LEU A 349 0.924 -9.865 2.985 1.00 0.16 C ATOM 174 CG LEU A 349 0.841 -8.582 3.801 1.00 0.14 C ATOM 175 CD1 LEU A 349 0.975 -7.370 2.933 1.00 0.14 C ATOM 176 CD2 LEU A 349 -0.444 -8.510 4.557 1.00 0.12 C ATOM 0 H LEU A 349 -1.489 -9.675 2.698 1.00 0.13 H new ATOM 0 HA LEU A 349 0.700 -9.005 1.028 1.00 0.14 H new ATOM 0 HB2 LEU A 349 0.460 -10.666 3.560 1.00 0.16 H new ATOM 0 HB3 LEU A 349 1.975 -10.127 2.865 1.00 0.16 H new ATOM 0 HG LEU A 349 1.671 -8.600 4.507 1.00 0.14 H new ATOM 0 HD11 LEU A 349 0.911 -6.473 3.549 1.00 0.14 H new ATOM 0 HD12 LEU A 349 1.938 -7.392 2.423 1.00 0.14 H new ATOM 0 HD13 LEU A 349 0.173 -7.361 2.194 1.00 0.14 H new ATOM 0 HD21 LEU A 349 -0.477 -7.584 5.131 1.00 0.12 H new ATOM 0 HD22 LEU A 349 -1.280 -8.533 3.857 1.00 0.12 H new ATOM 0 HD23 LEU A 349 -0.515 -9.360 5.235 1.00 0.12 H new ATOM 188 N GLU A 350 -0.126 -12.134 1.334 1.00 0.20 N ATOM 189 CA GLU A 350 0.007 -13.493 0.849 1.00 0.24 C ATOM 190 C GLU A 350 -0.123 -13.597 -0.658 1.00 0.22 C ATOM 191 O GLU A 350 0.680 -14.238 -1.332 1.00 0.31 O ATOM 192 CB GLU A 350 -1.078 -14.299 1.483 1.00 0.31 C ATOM 193 CG GLU A 350 -0.782 -14.660 2.910 1.00 0.41 C ATOM 194 CD GLU A 350 0.157 -15.835 3.031 1.00 0.84 C ATOM 195 OE1 GLU A 350 1.389 -15.625 3.007 1.00 0.96 O1- ATOM 196 OE2 GLU A 350 -0.329 -16.976 3.150 1.00 1.51 O ATOM 0 H GLU A 350 -0.807 -12.037 2.087 1.00 0.20 H new ATOM 0 HA GLU A 350 1.002 -13.855 1.107 1.00 0.24 H new ATOM 0 HB2 GLU A 350 -2.011 -13.738 1.442 1.00 0.31 H new ATOM 0 HB3 GLU A 350 -1.229 -15.212 0.907 1.00 0.31 H new ATOM 0 HG2 GLU A 350 -0.346 -13.798 3.415 1.00 0.41 H new ATOM 0 HG3 GLU A 350 -1.715 -14.892 3.423 1.00 0.41 H new ATOM 203 N ASN A 351 -1.204 -13.026 -1.147 1.00 0.18 N ATOM 204 CA ASN A 351 -1.573 -13.085 -2.544 1.00 0.19 C ATOM 205 C ASN A 351 -1.229 -11.772 -3.188 1.00 0.21 C ATOM 206 O ASN A 351 -1.610 -11.524 -4.334 1.00 0.35 O ATOM 207 CB ASN A 351 -3.081 -13.338 -2.672 1.00 0.27 C ATOM 208 CG ASN A 351 -3.515 -14.641 -2.044 1.00 0.48 C ATOM 209 OD1 ASN A 351 -3.538 -15.684 -2.697 1.00 0.91 O ATOM 210 ND2 ASN A 351 -3.856 -14.592 -0.768 1.00 0.39 N ATOM 0 H ASN A 351 -1.862 -12.499 -0.573 1.00 0.18 H new ATOM 0 HA ASN A 351 -1.034 -13.895 -3.035 1.00 0.19 H new ATOM 0 HB2 ASN A 351 -3.623 -12.517 -2.203 1.00 0.27 H new ATOM 0 HB3 ASN A 351 -3.355 -13.340 -3.727 1.00 0.27 H new ATOM 0 HD21 ASN A 351 -4.153 -15.441 -0.287 1.00 0.39 H new ATOM 0 HD22 ASN A 351 -3.822 -13.705 -0.265 1.00 0.39 H new ATOM 217 N GLN A 352 -0.501 -10.954 -2.427 1.00 0.12 N ATOM 218 CA GLN A 352 -0.018 -9.645 -2.882 1.00 0.11 C ATOM 219 C GLN A 352 -1.025 -8.955 -3.784 1.00 0.11 C ATOM 220 O GLN A 352 -0.824 -8.824 -4.997 1.00 0.18 O ATOM 221 CB GLN A 352 1.316 -9.769 -3.596 1.00 0.18 C ATOM 222 CG GLN A 352 2.506 -10.102 -2.688 1.00 0.30 C ATOM 223 CD GLN A 352 2.707 -9.083 -1.578 1.00 1.41 C ATOM 224 OE1 GLN A 352 3.148 -9.395 -0.482 1.00 2.22 O ATOM 225 NE2 GLN A 352 2.416 -7.846 -1.866 1.00 1.92 N ATOM 0 H GLN A 352 -0.227 -11.180 -1.471 1.00 0.12 H new ATOM 0 HA GLN A 352 0.116 -9.032 -1.991 1.00 0.11 H new ATOM 0 HB2 GLN A 352 1.232 -10.543 -4.359 1.00 0.18 H new ATOM 0 HB3 GLN A 352 1.523 -8.832 -4.113 1.00 0.18 H new ATOM 0 HG2 GLN A 352 2.355 -11.087 -2.247 1.00 0.30 H new ATOM 0 HG3 GLN A 352 3.412 -10.158 -3.291 1.00 0.30 H new ATOM 0 HE21 GLN A 352 2.049 -7.610 -2.788 1.00 1.92 H new ATOM 0 HE22 GLN A 352 2.555 -7.114 -1.170 1.00 1.92 H new ATOM 234 N HIS A 353 -2.085 -8.491 -3.166 1.00 0.07 N ATOM 235 CA HIS A 353 -3.193 -7.876 -3.883 1.00 0.07 C ATOM 236 C HIS A 353 -3.857 -6.832 -2.993 1.00 0.06 C ATOM 237 O HIS A 353 -4.219 -7.105 -1.862 1.00 0.07 O ATOM 238 CB HIS A 353 -4.218 -8.941 -4.266 1.00 0.08 C ATOM 239 CG HIS A 353 -5.061 -8.578 -5.453 1.00 0.09 C ATOM 240 ND1 HIS A 353 -4.732 -8.886 -6.757 1.00 0.11 N ATOM 241 CD2 HIS A 353 -6.244 -7.932 -5.519 1.00 0.12 C ATOM 242 CE1 HIS A 353 -5.686 -8.441 -7.561 1.00 0.13 C ATOM 243 NE2 HIS A 353 -6.616 -7.864 -6.834 1.00 0.13 N ATOM 0 H HIS A 353 -2.210 -8.526 -2.154 1.00 0.07 H new ATOM 0 HA HIS A 353 -2.814 -7.400 -4.787 1.00 0.07 H new ATOM 0 HB2 HIS A 353 -3.696 -9.874 -4.476 1.00 0.08 H new ATOM 0 HB3 HIS A 353 -4.871 -9.126 -3.413 1.00 0.08 H new ATOM 0 HD1 HIS A 353 -3.889 -9.378 -7.054 1.00 0.11 H new ATOM 0 HD2 HIS A 353 -6.800 -7.538 -4.681 1.00 0.12 H new ATOM 0 HE1 HIS A 353 -5.698 -8.537 -8.637 1.00 0.13 H new ATOM 252 N MET A 354 -3.974 -5.635 -3.511 1.00 0.05 N ATOM 253 CA MET A 354 -4.557 -4.518 -2.815 1.00 0.05 C ATOM 254 C MET A 354 -5.861 -4.100 -3.472 1.00 0.04 C ATOM 255 O MET A 354 -5.931 -3.887 -4.678 1.00 0.05 O ATOM 256 CB MET A 354 -3.555 -3.383 -2.840 1.00 0.05 C ATOM 257 CG MET A 354 -4.037 -2.156 -2.126 1.00 0.06 C ATOM 258 SD MET A 354 -3.682 -0.654 -3.016 1.00 0.06 S ATOM 259 CE MET A 354 -4.690 -1.013 -4.416 1.00 0.06 C ATOM 0 H MET A 354 -3.658 -5.406 -4.453 1.00 0.05 H new ATOM 0 HA MET A 354 -4.787 -4.793 -1.786 1.00 0.05 H new ATOM 0 HB2 MET A 354 -2.624 -3.719 -2.384 1.00 0.05 H new ATOM 0 HB3 MET A 354 -3.330 -3.128 -3.876 1.00 0.05 H new ATOM 0 HG2 MET A 354 -5.113 -2.233 -1.967 1.00 0.06 H new ATOM 0 HG3 MET A 354 -3.572 -2.108 -1.141 1.00 0.06 H new ATOM 0 HE1 MET A 354 -4.599 -0.209 -5.146 1.00 0.06 H new ATOM 0 HE2 MET A 354 -4.366 -1.951 -4.867 1.00 0.06 H new ATOM 0 HE3 MET A 354 -5.730 -1.102 -4.102 1.00 0.06 H new ATOM 269 N TRP A 355 -6.884 -4.003 -2.645 1.00 0.05 N ATOM 270 CA TRP A 355 -8.233 -3.696 -3.073 1.00 0.05 C ATOM 271 C TRP A 355 -8.692 -2.366 -2.561 1.00 0.05 C ATOM 272 O TRP A 355 -8.041 -1.761 -1.737 1.00 0.05 O ATOM 273 CB TRP A 355 -9.226 -4.706 -2.547 1.00 0.06 C ATOM 274 CG TRP A 355 -9.085 -6.062 -3.099 1.00 0.07 C ATOM 275 CD1 TRP A 355 -9.682 -6.533 -4.210 1.00 0.08 C ATOM 276 CD2 TRP A 355 -8.329 -7.127 -2.547 1.00 0.08 C ATOM 277 NE1 TRP A 355 -9.327 -7.831 -4.418 1.00 0.09 N ATOM 278 CE2 TRP A 355 -8.494 -8.233 -3.392 1.00 0.08 C ATOM 279 CE3 TRP A 355 -7.521 -7.244 -1.421 1.00 0.08 C ATOM 280 CZ2 TRP A 355 -7.868 -9.455 -3.134 1.00 0.10 C ATOM 281 CZ3 TRP A 355 -6.907 -8.442 -1.167 1.00 0.09 C ATOM 282 CH2 TRP A 355 -7.080 -9.540 -2.019 1.00 0.10 C ATOM 0 H TRP A 355 -6.798 -4.138 -1.638 1.00 0.05 H new ATOM 0 HA TRP A 355 -8.197 -3.705 -4.162 1.00 0.05 H new ATOM 0 HB2 TRP A 355 -9.127 -4.759 -1.463 1.00 0.06 H new ATOM 0 HB3 TRP A 355 -10.233 -4.347 -2.758 1.00 0.06 H new ATOM 0 HD1 TRP A 355 -10.346 -5.964 -4.844 1.00 0.08 H new ATOM 0 HE1 TRP A 355 -9.627 -8.411 -5.202 1.00 0.09 H new ATOM 0 HE3 TRP A 355 -7.380 -6.404 -0.757 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 -8.001 -10.302 -3.791 1.00 0.10 H new ATOM 0 HZ3 TRP A 355 -6.278 -8.541 -0.294 1.00 0.09 H new ATOM 0 HH2 TRP A 355 -6.582 -10.471 -1.792 1.00 0.10 H new ATOM 293 N TYR A 356 -9.853 -1.959 -3.013 1.00 0.06 N ATOM 294 CA TYR A 356 -10.567 -0.874 -2.389 1.00 0.06 C ATOM 295 C TYR A 356 -11.922 -1.401 -2.054 1.00 0.06 C ATOM 296 O TYR A 356 -12.656 -1.800 -2.924 1.00 0.07 O ATOM 297 CB TYR A 356 -10.648 0.340 -3.291 1.00 0.06 C ATOM 298 CG TYR A 356 -11.453 1.499 -2.680 1.00 0.08 C ATOM 299 CD1 TYR A 356 -12.795 1.361 -2.345 1.00 0.18 C ATOM 300 CD2 TYR A 356 -10.878 2.735 -2.467 1.00 0.07 C ATOM 301 CE1 TYR A 356 -13.525 2.410 -1.820 1.00 0.22 C ATOM 302 CE2 TYR A 356 -11.603 3.786 -1.950 1.00 0.09 C ATOM 303 CZ TYR A 356 -12.924 3.621 -1.631 1.00 0.13 C ATOM 304 OH TYR A 356 -13.646 4.672 -1.116 1.00 0.20 O ATOM 0 H TYR A 356 -10.326 -2.368 -3.819 1.00 0.06 H new ATOM 0 HA TYR A 356 -10.047 -0.534 -1.493 1.00 0.06 H new ATOM 0 HB2 TYR A 356 -9.639 0.686 -3.515 1.00 0.06 H new ATOM 0 HB3 TYR A 356 -11.103 0.051 -4.238 1.00 0.06 H new ATOM 0 HD1 TYR A 356 -13.280 0.408 -2.499 1.00 0.18 H new ATOM 0 HD2 TYR A 356 -9.836 2.882 -2.711 1.00 0.07 H new ATOM 0 HE1 TYR A 356 -14.564 2.273 -1.561 1.00 0.22 H new ATOM 0 HE2 TYR A 356 -11.128 4.743 -1.796 1.00 0.09 H new ATOM 0 HH TYR A 356 -13.069 5.461 -1.044 1.00 0.20 H new ATOM 314 N TYR A 357 -12.233 -1.465 -0.793 1.00 0.09 N ATOM 315 CA TYR A 357 -13.510 -1.985 -0.406 1.00 0.11 C ATOM 316 C TYR A 357 -14.477 -0.898 -0.062 1.00 0.12 C ATOM 317 O TYR A 357 -14.215 -0.030 0.756 1.00 0.14 O ATOM 318 CB TYR A 357 -13.433 -2.964 0.752 1.00 0.12 C ATOM 319 CG TYR A 357 -13.020 -4.344 0.344 1.00 0.12 C ATOM 320 CD1 TYR A 357 -11.717 -4.594 -0.014 1.00 0.12 C ATOM 321 CD2 TYR A 357 -13.932 -5.391 0.307 1.00 0.14 C ATOM 322 CE1 TYR A 357 -11.317 -5.843 -0.401 1.00 0.14 C ATOM 323 CE2 TYR A 357 -13.538 -6.656 -0.081 1.00 0.16 C ATOM 324 CZ TYR A 357 -12.226 -6.875 -0.436 1.00 0.14 C ATOM 325 OH TYR A 357 -11.817 -8.127 -0.837 1.00 0.18 O ATOM 0 H TYR A 357 -11.630 -1.169 -0.025 1.00 0.09 H new ATOM 0 HA TYR A 357 -13.868 -2.525 -1.282 1.00 0.11 H new ATOM 0 HB2 TYR A 357 -12.726 -2.586 1.490 1.00 0.12 H new ATOM 0 HB3 TYR A 357 -14.407 -3.014 1.240 1.00 0.12 H new ATOM 0 HD1 TYR A 357 -10.996 -3.790 0.011 1.00 0.12 H new ATOM 0 HD2 TYR A 357 -14.960 -5.214 0.585 1.00 0.14 H new ATOM 0 HE1 TYR A 357 -10.288 -6.019 -0.679 1.00 0.14 H new ATOM 0 HE2 TYR A 357 -14.252 -7.466 -0.106 1.00 0.16 H new ATOM 0 HH TYR A 357 -12.057 -8.785 -0.151 1.00 0.18 H new ATOM 335 N LYS A 358 -15.596 -0.987 -0.700 1.00 0.12 N ATOM 336 CA LYS A 358 -16.701 -0.162 -0.467 1.00 0.14 C ATOM 337 C LYS A 358 -17.943 -0.943 -0.733 1.00 0.17 C ATOM 338 O LYS A 358 -18.023 -1.728 -1.674 1.00 0.19 O ATOM 339 CB LYS A 358 -16.619 1.054 -1.305 1.00 0.18 C ATOM 340 CG LYS A 358 -17.904 1.692 -1.466 1.00 0.24 C ATOM 341 CD LYS A 358 -17.703 3.129 -1.263 1.00 0.28 C ATOM 342 CE LYS A 358 -17.134 3.736 -2.497 1.00 0.42 C ATOM 343 NZ LYS A 358 -17.409 5.192 -2.612 1.00 0.47 N1+ ATOM 0 H LYS A 358 -15.758 -1.678 -1.433 1.00 0.12 H new ATOM 0 HA LYS A 358 -16.715 0.170 0.571 1.00 0.14 H new ATOM 0 HB2 LYS A 358 -15.920 1.758 -0.854 1.00 0.18 H new ATOM 0 HB3 LYS A 358 -16.220 0.792 -2.285 1.00 0.18 H new ATOM 0 HG2 LYS A 358 -18.309 1.497 -2.459 1.00 0.24 H new ATOM 0 HG3 LYS A 358 -18.622 1.298 -0.746 1.00 0.24 H new ATOM 0 HD2 LYS A 358 -18.651 3.607 -1.015 1.00 0.28 H new ATOM 0 HD3 LYS A 358 -17.031 3.297 -0.421 1.00 0.28 H new ATOM 0 HE2 LYS A 358 -16.056 3.574 -2.510 1.00 0.42 H new ATOM 0 HE3 LYS A 358 -17.544 3.225 -3.368 1.00 0.42 H new ATOM 0 HZ1 LYS A 358 -16.988 5.556 -3.490 1.00 0.47 H new ATOM 0 HZ2 LYS A 358 -18.437 5.351 -2.629 1.00 0.47 H new ATOM 0 HZ3 LYS A 358 -16.995 5.689 -1.798 1.00 0.47 H new ATOM 357 N ASP A 359 -18.878 -0.748 0.167 1.00 0.23 N ATOM 358 CA ASP A 359 -20.166 -1.396 0.125 1.00 0.30 C ATOM 359 C ASP A 359 -19.993 -2.846 0.456 1.00 0.27 C ATOM 360 O ASP A 359 -20.897 -3.667 0.303 1.00 0.33 O ATOM 361 CB ASP A 359 -20.800 -1.214 -1.237 1.00 0.34 C ATOM 362 CG ASP A 359 -22.311 -1.126 -1.165 1.00 0.44 C ATOM 363 OD1 ASP A 359 -22.832 -0.073 -0.739 1.00 0.49 O1- ATOM 364 OD2 ASP A 359 -22.983 -2.115 -1.526 1.00 0.60 O ATOM 0 H ASP A 359 -18.762 -0.122 0.964 1.00 0.23 H new ATOM 0 HA ASP A 359 -20.833 -0.945 0.860 1.00 0.30 H new ATOM 0 HB2 ASP A 359 -20.408 -0.308 -1.699 1.00 0.34 H new ATOM 0 HB3 ASP A 359 -20.518 -2.048 -1.880 1.00 0.34 H new ATOM 369 N GLY A 360 -18.809 -3.114 0.978 1.00 0.22 N ATOM 370 CA GLY A 360 -18.439 -4.431 1.376 1.00 0.21 C ATOM 371 C GLY A 360 -17.953 -5.248 0.214 1.00 0.19 C ATOM 372 O GLY A 360 -17.817 -6.469 0.279 1.00 0.23 O ATOM 0 H GLY A 360 -18.086 -2.412 1.132 1.00 0.22 H new ATOM 0 HA2 GLY A 360 -17.657 -4.376 2.134 1.00 0.21 H new ATOM 0 HA3 GLY A 360 -19.294 -4.926 1.836 1.00 0.21 H new ATOM 376 N LYS A 361 -17.677 -4.524 -0.828 1.00 0.16 N ATOM 377 CA LYS A 361 -17.371 -5.026 -2.127 1.00 0.17 C ATOM 378 C LYS A 361 -16.159 -4.254 -2.597 1.00 0.13 C ATOM 379 O LYS A 361 -15.797 -3.273 -1.960 1.00 0.15 O ATOM 380 CB LYS A 361 -18.620 -4.762 -2.961 1.00 0.22 C ATOM 381 CG LYS A 361 -18.405 -4.322 -4.376 1.00 0.32 C ATOM 382 CD LYS A 361 -18.631 -5.432 -5.370 1.00 0.55 C ATOM 383 CE LYS A 361 -17.926 -6.678 -4.942 1.00 0.52 C ATOM 384 NZ LYS A 361 -17.943 -7.744 -5.978 1.00 0.68 N1+ ATOM 0 H LYS A 361 -17.659 -3.505 -0.788 1.00 0.16 H new ATOM 0 HA LYS A 361 -17.133 -6.088 -2.182 1.00 0.17 H new ATOM 0 HB2 LYS A 361 -19.218 -5.673 -2.975 1.00 0.22 H new ATOM 0 HB3 LYS A 361 -19.212 -4.000 -2.454 1.00 0.22 H new ATOM 0 HG2 LYS A 361 -19.078 -3.495 -4.601 1.00 0.32 H new ATOM 0 HG3 LYS A 361 -17.388 -3.944 -4.484 1.00 0.32 H new ATOM 0 HD2 LYS A 361 -19.699 -5.628 -5.467 1.00 0.55 H new ATOM 0 HD3 LYS A 361 -18.273 -5.125 -6.353 1.00 0.55 H new ATOM 0 HE2 LYS A 361 -16.892 -6.437 -4.695 1.00 0.52 H new ATOM 0 HE3 LYS A 361 -18.391 -7.057 -4.032 1.00 0.52 H new ATOM 0 HZ1 LYS A 361 -17.439 -8.582 -5.623 1.00 0.68 H new ATOM 0 HZ2 LYS A 361 -18.927 -7.999 -6.197 1.00 0.68 H new ATOM 0 HZ3 LYS A 361 -17.475 -7.398 -6.840 1.00 0.68 H new ATOM 398 N VAL A 362 -15.501 -4.648 -3.657 1.00 0.10 N ATOM 399 CA VAL A 362 -14.353 -3.878 -4.038 1.00 0.09 C ATOM 400 C VAL A 362 -14.651 -2.964 -5.162 1.00 0.09 C ATOM 401 O VAL A 362 -15.383 -3.250 -6.111 1.00 0.11 O ATOM 402 CB VAL A 362 -13.064 -4.643 -4.340 1.00 0.18 C ATOM 403 CG1 VAL A 362 -12.774 -5.674 -3.295 1.00 0.53 C ATOM 404 CG2 VAL A 362 -13.060 -5.237 -5.710 1.00 0.52 C ATOM 0 H VAL A 362 -15.725 -5.453 -4.242 1.00 0.10 H new ATOM 0 HA VAL A 362 -14.143 -3.324 -3.123 1.00 0.09 H new ATOM 0 HB VAL A 362 -12.257 -3.911 -4.313 1.00 0.18 H new ATOM 0 HG11 VAL A 362 -11.850 -6.196 -3.545 1.00 0.53 H new ATOM 0 HG12 VAL A 362 -12.665 -5.188 -2.325 1.00 0.53 H new ATOM 0 HG13 VAL A 362 -13.595 -6.390 -3.252 1.00 0.53 H new ATOM 0 HG21 VAL A 362 -12.123 -5.769 -5.873 1.00 0.52 H new ATOM 0 HG22 VAL A 362 -13.894 -5.932 -5.807 1.00 0.52 H new ATOM 0 HG23 VAL A 362 -13.161 -4.444 -6.451 1.00 0.52 H new ATOM 414 N ALA A 363 -14.090 -1.839 -4.960 1.00 0.09 N ATOM 415 CA ALA A 363 -14.101 -0.763 -5.858 1.00 0.10 C ATOM 416 C ALA A 363 -12.881 -0.847 -6.717 1.00 0.10 C ATOM 417 O ALA A 363 -12.838 -0.350 -7.844 1.00 0.12 O ATOM 418 CB ALA A 363 -14.038 0.471 -5.027 1.00 0.11 C ATOM 0 H ALA A 363 -13.576 -1.634 -4.103 1.00 0.09 H new ATOM 0 HA ALA A 363 -14.986 -0.768 -6.495 1.00 0.10 H new ATOM 0 HB1 ALA A 363 -14.044 1.347 -5.676 1.00 0.11 H new ATOM 0 HB2 ALA A 363 -14.901 0.506 -4.362 1.00 0.11 H new ATOM 0 HB3 ALA A 363 -13.123 0.464 -4.434 1.00 0.11 H new ATOM 424 N LEU A 364 -11.881 -1.500 -6.156 1.00 0.08 N ATOM 425 CA LEU A 364 -10.593 -1.531 -6.758 1.00 0.07 C ATOM 426 C LEU A 364 -9.872 -2.793 -6.329 1.00 0.06 C ATOM 427 O LEU A 364 -10.181 -3.365 -5.287 1.00 0.08 O ATOM 428 CB LEU A 364 -9.795 -0.289 -6.389 1.00 0.06 C ATOM 429 CG LEU A 364 -8.816 0.104 -7.468 1.00 0.07 C ATOM 430 CD1 LEU A 364 -9.467 0.938 -8.536 1.00 0.07 C ATOM 431 CD2 LEU A 364 -7.622 0.831 -6.942 1.00 0.06 C ATOM 0 H LEU A 364 -11.953 -2.015 -5.278 1.00 0.08 H new ATOM 0 HA LEU A 364 -10.701 -1.537 -7.843 1.00 0.07 H new ATOM 0 HB2 LEU A 364 -10.480 0.539 -6.204 1.00 0.06 H new ATOM 0 HB3 LEU A 364 -9.255 -0.470 -5.460 1.00 0.06 H new ATOM 0 HG LEU A 364 -8.475 -0.838 -7.898 1.00 0.07 H new ATOM 0 HD11 LEU A 364 -8.729 1.200 -9.294 1.00 0.07 H new ATOM 0 HD12 LEU A 364 -10.275 0.371 -8.998 1.00 0.07 H new ATOM 0 HD13 LEU A 364 -9.870 1.848 -8.092 1.00 0.07 H new ATOM 0 HD21 LEU A 364 -6.958 1.085 -7.768 1.00 0.06 H new ATOM 0 HD22 LEU A 364 -7.944 1.744 -6.441 1.00 0.06 H new ATOM 0 HD23 LEU A 364 -7.092 0.195 -6.233 1.00 0.06 H new ATOM 443 N GLU A 365 -8.936 -3.222 -7.147 1.00 0.07 N ATOM 444 CA GLU A 365 -8.186 -4.460 -6.922 1.00 0.07 C ATOM 445 C GLU A 365 -6.986 -4.487 -7.817 1.00 0.07 C ATOM 446 O GLU A 365 -7.107 -4.392 -9.037 1.00 0.09 O ATOM 447 CB GLU A 365 -8.976 -5.730 -7.222 1.00 0.09 C ATOM 448 CG GLU A 365 -10.399 -5.496 -7.681 1.00 0.22 C ATOM 449 CD GLU A 365 -10.929 -6.630 -8.529 1.00 0.26 C ATOM 450 OE1 GLU A 365 -10.524 -6.732 -9.706 1.00 0.60 O1- ATOM 451 OE2 GLU A 365 -11.737 -7.436 -8.021 1.00 0.61 O ATOM 0 H GLU A 365 -8.664 -2.725 -7.996 1.00 0.07 H new ATOM 0 HA GLU A 365 -7.931 -4.454 -5.862 1.00 0.07 H new ATOM 0 HB2 GLU A 365 -8.449 -6.296 -7.990 1.00 0.09 H new ATOM 0 HB3 GLU A 365 -8.995 -6.350 -6.326 1.00 0.09 H new ATOM 0 HG2 GLU A 365 -11.042 -5.367 -6.810 1.00 0.22 H new ATOM 0 HG3 GLU A 365 -10.445 -4.568 -8.251 1.00 0.22 H new ATOM 458 N THR A 366 -5.836 -4.610 -7.225 1.00 0.06 N ATOM 459 CA THR A 366 -4.644 -4.793 -7.981 1.00 0.06 C ATOM 460 C THR A 366 -3.669 -5.655 -7.238 1.00 0.06 C ATOM 461 O THR A 366 -3.822 -5.923 -6.058 1.00 0.07 O ATOM 462 CB THR A 366 -4.027 -3.452 -8.326 1.00 0.07 C ATOM 463 OG1 THR A 366 -2.782 -3.627 -8.984 1.00 0.09 O ATOM 464 CG2 THR A 366 -3.852 -2.638 -7.077 1.00 0.07 C ATOM 0 H THR A 366 -5.703 -4.586 -6.214 1.00 0.06 H new ATOM 0 HA THR A 366 -4.900 -5.302 -8.910 1.00 0.06 H new ATOM 0 HB THR A 366 -4.695 -2.922 -9.005 1.00 0.07 H new ATOM 0 HG1 THR A 366 -2.934 -3.992 -9.880 1.00 0.09 H new ATOM 0 HG21 THR A 366 -3.408 -1.675 -7.330 1.00 0.07 H new ATOM 0 HG22 THR A 366 -4.823 -2.478 -6.608 1.00 0.07 H new ATOM 0 HG23 THR A 366 -3.198 -3.169 -6.385 1.00 0.07 H new ATOM 472 N ASP A 367 -2.685 -6.085 -7.955 1.00 0.07 N ATOM 473 CA ASP A 367 -1.606 -6.837 -7.417 1.00 0.10 C ATOM 474 C ASP A 367 -0.620 -5.854 -6.865 1.00 0.10 C ATOM 475 O ASP A 367 -0.519 -4.727 -7.355 1.00 0.11 O ATOM 476 CB ASP A 367 -0.972 -7.632 -8.529 1.00 0.15 C ATOM 477 CG ASP A 367 -1.794 -8.833 -8.939 1.00 1.14 C ATOM 478 OD1 ASP A 367 -2.288 -9.564 -8.050 1.00 1.88 O ATOM 479 OD2 ASP A 367 -1.952 -9.049 -10.159 1.00 1.54 O1- ATOM 0 H ASP A 367 -2.609 -5.917 -8.958 1.00 0.07 H new ATOM 0 HA ASP A 367 -1.939 -7.522 -6.638 1.00 0.10 H new ATOM 0 HB2 ASP A 367 -0.827 -6.985 -9.394 1.00 0.15 H new ATOM 0 HB3 ASP A 367 0.016 -7.966 -8.212 1.00 0.15 H new ATOM 484 N ILE A 368 0.063 -6.260 -5.835 1.00 0.09 N ATOM 485 CA ILE A 368 1.008 -5.396 -5.167 1.00 0.09 C ATOM 486 C ILE A 368 2.206 -6.164 -4.673 1.00 0.09 C ATOM 487 O ILE A 368 2.316 -7.366 -4.880 1.00 0.11 O ATOM 488 CB ILE A 368 0.359 -4.675 -3.989 1.00 0.08 C ATOM 489 CG1 ILE A 368 -0.378 -5.683 -3.129 1.00 0.08 C ATOM 490 CG2 ILE A 368 -0.557 -3.575 -4.483 1.00 0.08 C ATOM 491 CD1 ILE A 368 0.292 -5.926 -1.808 1.00 0.11 C ATOM 0 H ILE A 368 -0.014 -7.194 -5.431 1.00 0.09 H new ATOM 0 HA ILE A 368 1.336 -4.662 -5.903 1.00 0.09 H new ATOM 0 HB ILE A 368 1.126 -4.201 -3.377 1.00 0.08 H new ATOM 0 HG12 ILE A 368 -1.395 -5.330 -2.955 1.00 0.08 H new ATOM 0 HG13 ILE A 368 -0.456 -6.626 -3.670 1.00 0.08 H new ATOM 0 HG21 ILE A 368 -1.012 -3.070 -3.631 1.00 0.08 H new ATOM 0 HG22 ILE A 368 0.019 -2.856 -5.065 1.00 0.08 H new ATOM 0 HG23 ILE A 368 -1.338 -4.006 -5.109 1.00 0.08 H new ATOM 0 HD11 ILE A 368 -0.282 -6.656 -1.238 1.00 0.11 H new ATOM 0 HD12 ILE A 368 1.299 -6.307 -1.976 1.00 0.11 H new ATOM 0 HD13 ILE A 368 0.346 -4.991 -1.250 1.00 0.11 H new ATOM 503 N VAL A 369 3.100 -5.457 -4.022 1.00 0.09 N ATOM 504 CA VAL A 369 4.237 -6.080 -3.366 1.00 0.09 C ATOM 505 C VAL A 369 4.643 -5.252 -2.154 1.00 0.09 C ATOM 506 O VAL A 369 4.970 -4.072 -2.259 1.00 0.11 O ATOM 507 CB VAL A 369 5.425 -6.362 -4.325 1.00 0.10 C ATOM 508 CG1 VAL A 369 5.347 -5.536 -5.587 1.00 0.10 C ATOM 509 CG2 VAL A 369 6.758 -6.144 -3.643 1.00 0.12 C ATOM 0 H VAL A 369 3.065 -4.442 -3.930 1.00 0.09 H new ATOM 0 HA VAL A 369 3.926 -7.067 -3.025 1.00 0.09 H new ATOM 0 HB VAL A 369 5.348 -7.413 -4.605 1.00 0.10 H new ATOM 0 HG11 VAL A 369 6.199 -5.767 -6.227 1.00 0.10 H new ATOM 0 HG12 VAL A 369 4.423 -5.767 -6.116 1.00 0.10 H new ATOM 0 HG13 VAL A 369 5.363 -4.477 -5.330 1.00 0.10 H new ATOM 0 HG21 VAL A 369 7.565 -6.351 -4.346 1.00 0.12 H new ATOM 0 HG22 VAL A 369 6.829 -5.110 -3.304 1.00 0.12 H new ATOM 0 HG23 VAL A 369 6.842 -6.813 -2.787 1.00 0.12 H new ATOM 519 N SER A 370 4.556 -5.881 -1.000 1.00 0.09 N ATOM 520 CA SER A 370 4.593 -5.177 0.265 1.00 0.10 C ATOM 521 C SER A 370 5.383 -5.946 1.314 1.00 0.10 C ATOM 522 O SER A 370 5.293 -7.166 1.398 1.00 0.10 O ATOM 523 CB SER A 370 3.162 -5.029 0.726 1.00 0.12 C ATOM 524 OG SER A 370 2.535 -6.290 0.724 1.00 0.70 O ATOM 0 H SER A 370 4.458 -6.893 -0.913 1.00 0.09 H new ATOM 0 HA SER A 370 5.083 -4.212 0.134 1.00 0.10 H new ATOM 0 HB2 SER A 370 3.134 -4.599 1.727 1.00 0.12 H new ATOM 0 HB3 SER A 370 2.626 -4.344 0.069 1.00 0.12 H new ATOM 0 HG SER A 370 1.575 -6.178 0.563 1.00 0.70 H new ATOM 530 N GLY A 371 6.119 -5.210 2.135 1.00 0.09 N ATOM 531 CA GLY A 371 6.599 -5.761 3.376 1.00 0.10 C ATOM 532 C GLY A 371 7.742 -6.758 3.283 1.00 0.11 C ATOM 533 O GLY A 371 7.667 -7.788 3.938 1.00 0.13 O ATOM 0 H GLY A 371 6.390 -4.242 1.960 1.00 0.09 H new ATOM 0 HA2 GLY A 371 6.918 -4.936 4.014 1.00 0.10 H new ATOM 0 HA3 GLY A 371 5.763 -6.248 3.878 1.00 0.10 H new ATOM 537 N LYS A 372 8.773 -6.479 2.475 1.00 0.11 N ATOM 538 CA LYS A 372 9.857 -7.413 2.231 1.00 0.14 C ATOM 539 C LYS A 372 10.344 -8.001 3.538 1.00 0.16 C ATOM 540 O LYS A 372 10.351 -7.329 4.557 1.00 0.19 O ATOM 541 CB LYS A 372 10.987 -6.691 1.521 1.00 0.17 C ATOM 542 CG LYS A 372 11.592 -5.562 2.303 1.00 0.22 C ATOM 543 CD LYS A 372 13.004 -5.882 2.595 1.00 0.30 C ATOM 544 CE LYS A 372 13.955 -4.936 1.903 1.00 0.47 C ATOM 545 NZ LYS A 372 15.381 -5.275 2.160 1.00 0.48 N1+ ATOM 0 H LYS A 372 8.870 -5.595 1.976 1.00 0.11 H new ATOM 0 HA LYS A 372 9.500 -8.229 1.602 1.00 0.14 H new ATOM 0 HB2 LYS A 372 11.769 -7.412 1.283 1.00 0.17 H new ATOM 0 HB3 LYS A 372 10.614 -6.301 0.574 1.00 0.17 H new ATOM 0 HG2 LYS A 372 11.526 -4.633 1.736 1.00 0.22 H new ATOM 0 HG3 LYS A 372 11.041 -5.409 3.231 1.00 0.22 H new ATOM 0 HD2 LYS A 372 13.170 -5.839 3.671 1.00 0.30 H new ATOM 0 HD3 LYS A 372 13.216 -6.904 2.280 1.00 0.30 H new ATOM 0 HE2 LYS A 372 13.767 -4.957 0.830 1.00 0.47 H new ATOM 0 HE3 LYS A 372 13.760 -3.918 2.240 1.00 0.47 H new ATOM 0 HZ1 LYS A 372 15.992 -4.674 1.572 1.00 0.48 H new ATOM 0 HZ2 LYS A 372 15.600 -5.115 3.164 1.00 0.48 H new ATOM 0 HZ3 LYS A 372 15.548 -6.274 1.924 1.00 0.48 H new ATOM 559 N PRO A 373 10.731 -9.270 3.492 1.00 0.18 N ATOM 560 CA PRO A 373 11.094 -10.106 4.645 1.00 0.20 C ATOM 561 C PRO A 373 11.833 -9.399 5.789 1.00 0.20 C ATOM 562 O PRO A 373 11.718 -9.795 6.948 1.00 0.22 O ATOM 563 CB PRO A 373 11.980 -11.119 3.965 1.00 0.23 C ATOM 564 CG PRO A 373 11.217 -11.399 2.739 1.00 0.22 C ATOM 565 CD PRO A 373 10.846 -10.038 2.247 1.00 0.19 C ATOM 0 HA PRO A 373 10.217 -10.488 5.168 1.00 0.20 H new ATOM 0 HB2 PRO A 373 12.971 -10.719 3.749 1.00 0.23 H new ATOM 0 HB3 PRO A 373 12.123 -12.013 4.573 1.00 0.23 H new ATOM 0 HG2 PRO A 373 11.816 -11.942 2.008 1.00 0.22 H new ATOM 0 HG3 PRO A 373 10.336 -12.007 2.944 1.00 0.22 H new ATOM 0 HD2 PRO A 373 11.606 -9.625 1.584 1.00 0.19 H new ATOM 0 HD3 PRO A 373 9.909 -10.049 1.689 1.00 0.19 H new ATOM 573 N THR A 374 12.578 -8.359 5.467 1.00 0.20 N ATOM 574 CA THR A 374 13.358 -7.642 6.451 1.00 0.23 C ATOM 575 C THR A 374 12.510 -6.577 7.145 1.00 0.20 C ATOM 576 O THR A 374 12.712 -6.264 8.319 1.00 0.23 O ATOM 577 CB THR A 374 14.561 -6.981 5.769 1.00 0.28 C ATOM 578 OG1 THR A 374 14.209 -5.687 5.265 1.00 0.28 O ATOM 579 CG2 THR A 374 15.036 -7.834 4.615 1.00 0.30 C ATOM 0 H THR A 374 12.658 -7.990 4.519 1.00 0.20 H new ATOM 0 HA THR A 374 13.705 -8.351 7.203 1.00 0.23 H new ATOM 0 HB THR A 374 15.353 -6.879 6.510 1.00 0.28 H new ATOM 0 HG1 THR A 374 15.019 -5.218 4.974 1.00 0.28 H new ATOM 0 HG21 THR A 374 15.891 -7.356 4.137 1.00 0.30 H new ATOM 0 HG22 THR A 374 15.330 -8.816 4.985 1.00 0.30 H new ATOM 0 HG23 THR A 374 14.230 -7.946 3.889 1.00 0.30 H new ATOM 587 N THR A 375 11.561 -6.019 6.404 1.00 0.18 N ATOM 588 CA THR A 375 10.655 -5.015 6.932 1.00 0.18 C ATOM 589 C THR A 375 9.250 -5.234 6.382 1.00 0.14 C ATOM 590 O THR A 375 8.771 -4.516 5.502 1.00 0.13 O ATOM 591 CB THR A 375 11.128 -3.588 6.632 1.00 0.23 C ATOM 592 OG1 THR A 375 12.518 -3.453 6.955 1.00 0.30 O ATOM 593 CG2 THR A 375 10.320 -2.588 7.438 1.00 0.27 C ATOM 0 H THR A 375 11.400 -6.251 5.424 1.00 0.18 H new ATOM 0 HA THR A 375 10.642 -5.128 8.016 1.00 0.18 H new ATOM 0 HB THR A 375 10.984 -3.390 5.570 1.00 0.23 H new ATOM 0 HG1 THR A 375 12.673 -2.581 7.374 1.00 0.30 H new ATOM 0 HG21 THR A 375 10.665 -1.578 7.216 1.00 0.27 H new ATOM 0 HG22 THR A 375 9.266 -2.677 7.176 1.00 0.27 H new ATOM 0 HG23 THR A 375 10.448 -2.790 8.502 1.00 0.27 H new ATOM 601 N PRO A 376 8.619 -6.276 6.889 1.00 0.13 N ATOM 602 CA PRO A 376 7.297 -6.743 6.479 1.00 0.11 C ATOM 603 C PRO A 376 6.160 -5.841 6.896 1.00 0.11 C ATOM 604 O PRO A 376 6.279 -5.000 7.794 1.00 0.15 O ATOM 605 CB PRO A 376 7.164 -8.078 7.196 1.00 0.14 C ATOM 606 CG PRO A 376 8.537 -8.429 7.566 1.00 0.16 C ATOM 607 CD PRO A 376 9.183 -7.142 7.898 1.00 0.15 C ATOM 0 HA PRO A 376 7.229 -6.785 5.392 1.00 0.11 H new ATOM 0 HB2 PRO A 376 6.524 -7.996 8.075 1.00 0.14 H new ATOM 0 HB3 PRO A 376 6.721 -8.835 6.549 1.00 0.14 H new ATOM 0 HG2 PRO A 376 8.555 -9.111 8.416 1.00 0.16 H new ATOM 0 HG3 PRO A 376 9.052 -8.929 6.746 1.00 0.16 H new ATOM 0 HD2 PRO A 376 8.942 -6.809 8.907 1.00 0.15 H new ATOM 0 HD3 PRO A 376 10.270 -7.198 7.832 1.00 0.15 H new ATOM 615 N THR A 377 5.050 -6.045 6.209 1.00 0.08 N ATOM 616 CA THR A 377 3.817 -5.368 6.491 1.00 0.08 C ATOM 617 C THR A 377 3.177 -5.914 7.763 1.00 0.08 C ATOM 618 O THR A 377 3.320 -7.088 8.103 1.00 0.11 O ATOM 619 CB THR A 377 2.844 -5.558 5.323 1.00 0.09 C ATOM 620 OG1 THR A 377 3.486 -6.314 4.288 1.00 0.12 O ATOM 621 CG2 THR A 377 2.373 -4.237 4.766 1.00 0.11 C ATOM 0 H THR A 377 4.989 -6.699 5.428 1.00 0.08 H new ATOM 0 HA THR A 377 4.034 -4.309 6.630 1.00 0.08 H new ATOM 0 HB THR A 377 1.970 -6.093 5.696 1.00 0.09 H new ATOM 0 HG1 THR A 377 3.240 -5.946 3.414 1.00 0.12 H new ATOM 0 HG21 THR A 377 1.685 -4.415 3.940 1.00 0.11 H new ATOM 0 HG22 THR A 377 1.863 -3.674 5.548 1.00 0.11 H new ATOM 0 HG23 THR A 377 3.230 -3.667 4.408 1.00 0.11 H new ATOM 629 N PRO A 378 2.419 -5.050 8.427 1.00 0.07 N ATOM 630 CA PRO A 378 1.847 -5.278 9.751 1.00 0.07 C ATOM 631 C PRO A 378 0.573 -6.112 9.737 1.00 0.07 C ATOM 632 O PRO A 378 0.465 -7.092 10.474 1.00 0.09 O ATOM 633 CB PRO A 378 1.512 -3.869 10.237 1.00 0.08 C ATOM 634 CG PRO A 378 1.794 -2.939 9.107 1.00 0.09 C ATOM 635 CD PRO A 378 2.039 -3.759 7.901 1.00 0.08 C ATOM 0 HA PRO A 378 2.544 -5.835 10.378 1.00 0.07 H new ATOM 0 HB2 PRO A 378 0.467 -3.804 10.538 1.00 0.08 H new ATOM 0 HB3 PRO A 378 2.112 -3.609 11.109 1.00 0.08 H new ATOM 0 HG2 PRO A 378 0.952 -2.265 8.947 1.00 0.09 H new ATOM 0 HG3 PRO A 378 2.662 -2.318 9.330 1.00 0.09 H new ATOM 0 HD2 PRO A 378 1.147 -3.829 7.278 1.00 0.08 H new ATOM 0 HD3 PRO A 378 2.828 -3.332 7.282 1.00 0.08 H new ATOM 643 N ALA A 379 -0.386 -5.700 8.904 1.00 0.06 N ATOM 644 CA ALA A 379 -1.699 -6.326 8.824 1.00 0.07 C ATOM 645 C ALA A 379 -2.555 -6.088 10.058 1.00 0.07 C ATOM 646 O ALA A 379 -2.180 -6.422 11.183 1.00 0.09 O ATOM 647 CB ALA A 379 -1.565 -7.784 8.491 1.00 0.08 C ATOM 0 H ALA A 379 -0.267 -4.916 8.263 1.00 0.06 H new ATOM 0 HA ALA A 379 -2.238 -5.841 8.011 1.00 0.07 H new ATOM 0 HB1 ALA A 379 -2.555 -8.237 8.435 1.00 0.08 H new ATOM 0 HB2 ALA A 379 -1.061 -7.893 7.531 1.00 0.08 H new ATOM 0 HB3 ALA A 379 -0.982 -8.282 9.265 1.00 0.08 H new ATOM 653 N GLY A 380 -3.717 -5.492 9.811 1.00 0.08 N ATOM 654 CA GLY A 380 -4.630 -5.142 10.870 1.00 0.10 C ATOM 655 C GLY A 380 -5.692 -4.191 10.388 1.00 0.10 C ATOM 656 O GLY A 380 -6.374 -4.461 9.401 1.00 0.11 O ATOM 0 H GLY A 380 -4.042 -5.244 8.876 1.00 0.08 H new ATOM 0 HA2 GLY A 380 -5.099 -6.045 11.262 1.00 0.10 H new ATOM 0 HA3 GLY A 380 -4.078 -4.687 11.693 1.00 0.10 H new ATOM 660 N VAL A 381 -5.807 -3.067 11.063 1.00 0.11 N ATOM 661 CA VAL A 381 -6.767 -2.059 10.710 1.00 0.12 C ATOM 662 C VAL A 381 -6.052 -0.727 10.530 1.00 0.12 C ATOM 663 O VAL A 381 -5.552 -0.119 11.478 1.00 0.21 O ATOM 664 CB VAL A 381 -7.888 -1.970 11.758 1.00 0.16 C ATOM 665 CG1 VAL A 381 -7.372 -1.558 13.131 1.00 0.89 C ATOM 666 CG2 VAL A 381 -9.006 -1.047 11.288 1.00 0.87 C ATOM 0 H VAL A 381 -5.233 -2.832 11.873 1.00 0.11 H new ATOM 0 HA VAL A 381 -7.243 -2.328 9.767 1.00 0.12 H new ATOM 0 HB VAL A 381 -8.298 -2.974 11.867 1.00 0.16 H new ATOM 0 HG11 VAL A 381 -8.204 -1.510 13.833 1.00 0.89 H new ATOM 0 HG12 VAL A 381 -6.644 -2.290 13.481 1.00 0.89 H new ATOM 0 HG13 VAL A 381 -6.898 -0.579 13.063 1.00 0.89 H new ATOM 0 HG21 VAL A 381 -9.785 -1.003 12.049 1.00 0.87 H new ATOM 0 HG22 VAL A 381 -8.606 -0.047 11.120 1.00 0.87 H new ATOM 0 HG23 VAL A 381 -9.427 -1.430 10.359 1.00 0.87 H new ATOM 676 N PHE A 382 -5.956 -0.312 9.297 1.00 0.10 N ATOM 677 CA PHE A 382 -5.144 0.815 8.936 1.00 0.10 C ATOM 678 C PHE A 382 -6.026 1.941 8.449 1.00 0.09 C ATOM 679 O PHE A 382 -7.126 1.683 8.001 1.00 0.11 O ATOM 680 CB PHE A 382 -4.245 0.365 7.809 1.00 0.16 C ATOM 681 CG PHE A 382 -3.350 -0.766 8.175 1.00 0.11 C ATOM 682 CD1 PHE A 382 -2.209 -0.560 8.925 1.00 0.14 C ATOM 683 CD2 PHE A 382 -3.661 -2.044 7.758 1.00 0.08 C ATOM 684 CE1 PHE A 382 -1.391 -1.616 9.249 1.00 0.15 C ATOM 685 CE2 PHE A 382 -2.855 -3.099 8.080 1.00 0.08 C ATOM 686 CZ PHE A 382 -1.720 -2.889 8.824 1.00 0.10 C ATOM 0 H PHE A 382 -6.441 -0.748 8.512 1.00 0.10 H new ATOM 0 HA PHE A 382 -4.565 1.168 9.789 1.00 0.10 H new ATOM 0 HB2 PHE A 382 -4.861 0.069 6.960 1.00 0.16 H new ATOM 0 HB3 PHE A 382 -3.636 1.208 7.483 1.00 0.16 H new ATOM 0 HD1 PHE A 382 -1.958 0.436 9.259 1.00 0.14 H new ATOM 0 HD2 PHE A 382 -4.552 -2.212 7.171 1.00 0.08 H new ATOM 0 HE1 PHE A 382 -0.497 -1.452 9.832 1.00 0.15 H new ATOM 0 HE2 PHE A 382 -3.110 -4.095 7.750 1.00 0.08 H new ATOM 0 HZ PHE A 382 -1.082 -3.722 9.078 1.00 0.10 H new ATOM 696 N TYR A 383 -5.557 3.175 8.534 1.00 0.08 N ATOM 697 CA TYR A 383 -6.304 4.316 7.993 1.00 0.09 C ATOM 698 C TYR A 383 -5.361 5.365 7.482 1.00 0.09 C ATOM 699 O TYR A 383 -4.359 5.664 8.130 1.00 0.11 O ATOM 700 CB TYR A 383 -7.224 4.999 9.010 1.00 0.12 C ATOM 701 CG TYR A 383 -8.557 4.323 9.337 1.00 0.25 C ATOM 702 CD1 TYR A 383 -8.628 3.049 9.895 1.00 0.53 C ATOM 703 CD2 TYR A 383 -9.757 4.996 9.122 1.00 0.39 C ATOM 704 CE1 TYR A 383 -9.842 2.472 10.218 1.00 0.64 C ATOM 705 CE2 TYR A 383 -10.972 4.429 9.456 1.00 0.51 C ATOM 706 CZ TYR A 383 -11.008 3.167 10.002 1.00 0.54 C ATOM 707 OH TYR A 383 -12.217 2.599 10.332 1.00 0.69 O ATOM 0 H TYR A 383 -4.667 3.419 8.969 1.00 0.08 H new ATOM 0 HA TYR A 383 -6.920 3.894 7.199 1.00 0.09 H new ATOM 0 HB2 TYR A 383 -6.668 5.111 9.941 1.00 0.12 H new ATOM 0 HB3 TYR A 383 -7.439 6.003 8.645 1.00 0.12 H new ATOM 0 HD1 TYR A 383 -7.716 2.501 10.079 1.00 0.53 H new ATOM 0 HD2 TYR A 383 -9.738 5.983 8.684 1.00 0.39 H new ATOM 0 HE1 TYR A 383 -9.874 1.478 10.639 1.00 0.64 H new ATOM 0 HE2 TYR A 383 -11.889 4.974 9.289 1.00 0.51 H new ATOM 0 HH TYR A 383 -12.941 3.223 10.116 1.00 0.69 H new ATOM 717 N VAL A 384 -5.699 5.960 6.355 1.00 0.09 N ATOM 718 CA VAL A 384 -4.858 6.992 5.809 1.00 0.10 C ATOM 719 C VAL A 384 -5.002 8.285 6.600 1.00 0.11 C ATOM 720 O VAL A 384 -6.104 8.806 6.787 1.00 0.13 O ATOM 721 CB VAL A 384 -5.106 7.227 4.295 1.00 0.11 C ATOM 722 CG1 VAL A 384 -6.519 6.875 3.905 1.00 0.12 C ATOM 723 CG2 VAL A 384 -4.817 8.657 3.913 1.00 0.14 C ATOM 0 H VAL A 384 -6.536 5.748 5.812 1.00 0.09 H new ATOM 0 HA VAL A 384 -3.829 6.644 5.903 1.00 0.10 H new ATOM 0 HB VAL A 384 -4.423 6.571 3.755 1.00 0.11 H new ATOM 0 HG11 VAL A 384 -6.657 7.052 2.838 1.00 0.12 H new ATOM 0 HG12 VAL A 384 -6.706 5.824 4.126 1.00 0.12 H new ATOM 0 HG13 VAL A 384 -7.217 7.494 4.469 1.00 0.12 H new ATOM 0 HG21 VAL A 384 -4.999 8.793 2.847 1.00 0.14 H new ATOM 0 HG22 VAL A 384 -5.467 9.324 4.480 1.00 0.14 H new ATOM 0 HG23 VAL A 384 -3.776 8.890 4.136 1.00 0.14 H new ATOM 733 N TRP A 385 -3.875 8.781 7.083 1.00 0.12 N ATOM 734 CA TRP A 385 -3.867 9.980 7.895 1.00 0.14 C ATOM 735 C TRP A 385 -3.301 11.164 7.147 1.00 0.16 C ATOM 736 O TRP A 385 -3.183 12.265 7.685 1.00 0.19 O ATOM 737 CB TRP A 385 -3.081 9.774 9.166 1.00 0.16 C ATOM 738 CG TRP A 385 -1.751 9.140 8.949 1.00 0.15 C ATOM 739 CD1 TRP A 385 -1.499 7.816 8.815 1.00 0.14 C ATOM 740 CD2 TRP A 385 -0.495 9.807 8.847 1.00 0.15 C ATOM 741 NE1 TRP A 385 -0.148 7.610 8.650 1.00 0.14 N ATOM 742 CE2 TRP A 385 0.489 8.821 8.669 1.00 0.15 C ATOM 743 CE3 TRP A 385 -0.109 11.140 8.894 1.00 0.17 C ATOM 744 CZ2 TRP A 385 1.839 9.133 8.541 1.00 0.15 C ATOM 745 CZ3 TRP A 385 1.222 11.453 8.767 1.00 0.18 C ATOM 746 CH2 TRP A 385 2.188 10.453 8.594 1.00 0.17 C ATOM 0 H TRP A 385 -2.955 8.370 6.925 1.00 0.12 H new ATOM 0 HA TRP A 385 -4.907 10.191 8.144 1.00 0.14 H new ATOM 0 HB2 TRP A 385 -2.939 10.737 9.656 1.00 0.16 H new ATOM 0 HB3 TRP A 385 -3.663 9.153 9.847 1.00 0.16 H new ATOM 0 HD1 TRP A 385 -2.247 7.037 8.835 1.00 0.14 H new ATOM 0 HE1 TRP A 385 0.304 6.703 8.533 1.00 0.14 H new ATOM 0 HE3 TRP A 385 -0.845 11.919 9.028 1.00 0.17 H new ATOM 0 HZ2 TRP A 385 2.582 8.361 8.405 1.00 0.15 H new ATOM 0 HZ3 TRP A 385 1.529 12.488 8.801 1.00 0.18 H new ATOM 0 HH2 TRP A 385 3.228 10.731 8.501 1.00 0.17 H new ATOM 757 N ASN A 386 -2.958 10.927 5.907 1.00 0.16 N ATOM 758 CA ASN A 386 -2.449 11.970 5.041 1.00 0.21 C ATOM 759 C ASN A 386 -2.492 11.521 3.600 1.00 0.20 C ATOM 760 O ASN A 386 -2.423 10.338 3.303 1.00 0.18 O ATOM 761 CB ASN A 386 -1.026 12.372 5.416 1.00 0.24 C ATOM 762 CG ASN A 386 -0.610 13.631 4.704 1.00 0.32 C ATOM 763 OD1 ASN A 386 -0.806 14.743 5.197 1.00 0.41 O ATOM 764 ND2 ASN A 386 -0.031 13.464 3.533 1.00 0.31 N ATOM 0 H ASN A 386 -3.022 10.010 5.466 1.00 0.16 H new ATOM 0 HA ASN A 386 -3.089 12.843 5.169 1.00 0.21 H new ATOM 0 HB2 ASN A 386 -0.960 12.522 6.494 1.00 0.24 H new ATOM 0 HB3 ASN A 386 -0.339 11.564 5.164 1.00 0.24 H new ATOM 0 HD21 ASN A 386 0.276 14.275 2.995 1.00 0.31 H new ATOM 0 HD22 ASN A 386 0.111 12.524 3.164 1.00 0.31 H new ATOM 771 N LYS A 387 -2.653 12.469 2.716 1.00 0.22 N ATOM 772 CA LYS A 387 -2.539 12.233 1.310 1.00 0.22 C ATOM 773 C LYS A 387 -1.312 12.915 0.768 1.00 0.19 C ATOM 774 O LYS A 387 -1.157 14.132 0.852 1.00 0.24 O ATOM 775 CB LYS A 387 -3.749 12.758 0.610 1.00 0.32 C ATOM 776 CG LYS A 387 -4.962 11.920 0.766 1.00 1.09 C ATOM 777 CD LYS A 387 -6.156 12.805 0.565 1.00 0.96 C ATOM 778 CE LYS A 387 -6.021 13.620 -0.694 1.00 0.57 C ATOM 779 NZ LYS A 387 -7.290 13.722 -1.460 1.00 0.67 N1+ ATOM 0 H LYS A 387 -2.869 13.436 2.959 1.00 0.22 H new ATOM 0 HA LYS A 387 -2.456 11.160 1.139 1.00 0.22 H new ATOM 0 HB2 LYS A 387 -3.964 13.759 0.984 1.00 0.32 H new ATOM 0 HB3 LYS A 387 -3.525 12.856 -0.452 1.00 0.32 H new ATOM 0 HG2 LYS A 387 -4.962 11.107 0.040 1.00 1.09 H new ATOM 0 HG3 LYS A 387 -4.987 11.463 1.755 1.00 1.09 H new ATOM 0 HD2 LYS A 387 -7.059 12.197 0.513 1.00 0.96 H new ATOM 0 HD3 LYS A 387 -6.268 13.469 1.422 1.00 0.96 H new ATOM 0 HE2 LYS A 387 -5.677 14.622 -0.436 1.00 0.57 H new ATOM 0 HE3 LYS A 387 -5.255 13.174 -1.328 1.00 0.57 H new ATOM 0 HZ1 LYS A 387 -7.157 14.362 -2.269 1.00 0.67 H new ATOM 0 HZ2 LYS A 387 -7.564 12.780 -1.806 1.00 0.67 H new ATOM 0 HZ3 LYS A 387 -8.039 14.095 -0.843 1.00 0.67 H new ATOM 793 N GLU A 388 -0.449 12.121 0.234 1.00 0.18 N ATOM 794 CA GLU A 388 0.778 12.595 -0.325 1.00 0.18 C ATOM 795 C GLU A 388 0.859 12.284 -1.789 1.00 0.23 C ATOM 796 O GLU A 388 0.744 11.162 -2.222 1.00 0.38 O ATOM 797 CB GLU A 388 1.934 12.008 0.444 1.00 0.16 C ATOM 798 CG GLU A 388 2.634 13.059 1.256 1.00 0.16 C ATOM 799 CD GLU A 388 3.862 12.556 1.991 1.00 0.20 C ATOM 800 OE1 GLU A 388 3.709 11.824 2.987 1.00 0.32 O1- ATOM 801 OE2 GLU A 388 4.990 12.904 1.581 1.00 0.32 O ATOM 0 H GLU A 388 -0.574 11.111 0.171 1.00 0.18 H new ATOM 0 HA GLU A 388 0.822 13.681 -0.237 1.00 0.18 H new ATOM 0 HB2 GLU A 388 1.573 11.217 1.101 1.00 0.16 H new ATOM 0 HB3 GLU A 388 2.640 11.549 -0.249 1.00 0.16 H new ATOM 0 HG2 GLU A 388 2.927 13.877 0.597 1.00 0.16 H new ATOM 0 HG3 GLU A 388 1.932 13.470 1.982 1.00 0.16 H new ATOM 808 N GLU A 389 1.017 13.316 -2.545 1.00 0.17 N ATOM 809 CA GLU A 389 1.084 13.220 -3.963 1.00 0.19 C ATOM 810 C GLU A 389 2.389 13.754 -4.448 1.00 0.21 C ATOM 811 O GLU A 389 2.845 14.800 -3.979 1.00 0.26 O ATOM 812 CB GLU A 389 -0.036 14.019 -4.551 1.00 0.21 C ATOM 813 CG GLU A 389 -1.383 13.398 -4.372 1.00 0.30 C ATOM 814 CD GLU A 389 -2.421 13.982 -5.310 1.00 1.06 C ATOM 815 OE1 GLU A 389 -2.121 14.121 -6.518 1.00 1.96 O1- ATOM 816 OE2 GLU A 389 -3.533 14.316 -4.847 1.00 1.18 O ATOM 0 H GLU A 389 1.105 14.268 -2.188 1.00 0.17 H new ATOM 0 HA GLU A 389 0.998 12.176 -4.266 1.00 0.19 H new ATOM 0 HB2 GLU A 389 -0.040 15.010 -4.096 1.00 0.21 H new ATOM 0 HB3 GLU A 389 0.150 14.158 -5.616 1.00 0.21 H new ATOM 0 HG2 GLU A 389 -1.309 12.324 -4.540 1.00 0.30 H new ATOM 0 HG3 GLU A 389 -1.710 13.538 -3.342 1.00 0.30 H new ATOM 823 N ASP A 390 2.970 13.050 -5.373 1.00 0.20 N ATOM 824 CA ASP A 390 4.308 13.373 -5.842 1.00 0.19 C ATOM 825 C ASP A 390 5.205 13.472 -4.617 1.00 0.21 C ATOM 826 O ASP A 390 6.027 14.372 -4.446 1.00 0.40 O ATOM 827 CB ASP A 390 4.288 14.681 -6.617 1.00 0.24 C ATOM 828 CG ASP A 390 5.619 15.020 -7.266 1.00 0.26 C ATOM 829 OD1 ASP A 390 5.961 14.383 -8.283 1.00 0.38 O1- ATOM 830 OD2 ASP A 390 6.324 15.924 -6.770 1.00 0.36 O ATOM 0 H ASP A 390 2.545 12.241 -5.827 1.00 0.20 H new ATOM 0 HA ASP A 390 4.684 12.604 -6.517 1.00 0.19 H new ATOM 0 HB2 ASP A 390 3.520 14.626 -7.389 1.00 0.24 H new ATOM 0 HB3 ASP A 390 4.005 15.489 -5.943 1.00 0.24 H new ATOM 835 N ALA A 391 4.921 12.564 -3.718 1.00 0.15 N ATOM 836 CA ALA A 391 5.557 12.491 -2.444 1.00 0.16 C ATOM 837 C ALA A 391 6.756 11.596 -2.469 1.00 0.15 C ATOM 838 O ALA A 391 7.012 10.870 -3.424 1.00 0.16 O ATOM 839 CB ALA A 391 4.553 11.995 -1.431 1.00 0.16 C ATOM 0 H ALA A 391 4.220 11.838 -3.865 1.00 0.15 H new ATOM 0 HA ALA A 391 5.909 13.486 -2.172 1.00 0.16 H new ATOM 0 HB1 ALA A 391 5.025 11.934 -0.451 1.00 0.16 H new ATOM 0 HB2 ALA A 391 3.711 12.685 -1.386 1.00 0.16 H new ATOM 0 HB3 ALA A 391 4.197 11.007 -1.725 1.00 0.16 H new ATOM 845 N THR A 392 7.471 11.655 -1.393 1.00 0.16 N ATOM 846 CA THR A 392 8.667 10.892 -1.235 1.00 0.17 C ATOM 847 C THR A 392 8.627 10.161 0.076 1.00 0.16 C ATOM 848 O THR A 392 8.753 10.737 1.160 1.00 0.18 O ATOM 849 CB THR A 392 9.934 11.746 -1.313 1.00 0.20 C ATOM 850 OG1 THR A 392 10.168 12.168 -2.665 1.00 0.27 O ATOM 851 CG2 THR A 392 11.132 10.947 -0.798 1.00 0.22 C ATOM 0 H THR A 392 7.239 12.240 -0.590 1.00 0.16 H new ATOM 0 HA THR A 392 8.709 10.186 -2.064 1.00 0.17 H new ATOM 0 HB THR A 392 9.801 12.630 -0.690 1.00 0.20 H new ATOM 0 HG1 THR A 392 10.980 12.715 -2.701 1.00 0.27 H new ATOM 0 HG21 THR A 392 12.031 11.561 -0.856 1.00 0.22 H new ATOM 0 HG22 THR A 392 10.957 10.657 0.238 1.00 0.22 H new ATOM 0 HG23 THR A 392 11.263 10.053 -1.408 1.00 0.22 H new ATOM 859 N LEU A 393 8.378 8.901 -0.053 1.00 0.15 N ATOM 860 CA LEU A 393 8.398 7.981 1.029 1.00 0.16 C ATOM 861 C LEU A 393 9.795 7.745 1.458 1.00 0.17 C ATOM 862 O LEU A 393 10.726 7.944 0.696 1.00 0.18 O ATOM 863 CB LEU A 393 7.786 6.712 0.541 1.00 0.16 C ATOM 864 CG LEU A 393 6.280 6.740 0.465 1.00 0.19 C ATOM 865 CD1 LEU A 393 5.807 7.779 -0.528 1.00 0.16 C ATOM 866 CD2 LEU A 393 5.762 5.399 0.053 1.00 0.24 C ATOM 0 H LEU A 393 8.147 8.470 -0.948 1.00 0.15 H new ATOM 0 HA LEU A 393 7.843 8.369 1.883 1.00 0.16 H new ATOM 0 HB2 LEU A 393 8.184 6.487 -0.448 1.00 0.16 H new ATOM 0 HB3 LEU A 393 8.090 5.898 1.200 1.00 0.16 H new ATOM 0 HG LEU A 393 5.899 6.996 1.454 1.00 0.19 H new ATOM 0 HD11 LEU A 393 4.718 7.779 -0.564 1.00 0.16 H new ATOM 0 HD12 LEU A 393 6.160 8.763 -0.220 1.00 0.16 H new ATOM 0 HD13 LEU A 393 6.202 7.544 -1.516 1.00 0.16 H new ATOM 0 HD21 LEU A 393 4.674 5.430 0.001 1.00 0.24 H new ATOM 0 HD22 LEU A 393 6.165 5.138 -0.926 1.00 0.24 H new ATOM 0 HD23 LEU A 393 6.069 4.650 0.783 1.00 0.24 H new ATOM 878 N LYS A 394 9.926 7.364 2.687 1.00 0.20 N ATOM 879 CA LYS A 394 11.173 7.190 3.300 1.00 0.24 C ATOM 880 C LYS A 394 11.014 6.229 4.424 1.00 0.30 C ATOM 881 O LYS A 394 9.892 5.845 4.758 1.00 0.38 O ATOM 882 CB LYS A 394 11.621 8.503 3.825 1.00 0.29 C ATOM 883 CG LYS A 394 12.440 9.171 2.821 1.00 0.29 C ATOM 884 CD LYS A 394 11.997 10.560 2.583 1.00 0.61 C ATOM 885 CE LYS A 394 12.475 11.458 3.689 1.00 0.52 C ATOM 886 NZ LYS A 394 12.173 12.890 3.428 1.00 0.67 N1+ ATOM 0 H LYS A 394 9.135 7.163 3.298 1.00 0.20 H new ATOM 0 HA LYS A 394 11.907 6.807 2.591 1.00 0.24 H new ATOM 0 HB2 LYS A 394 10.758 9.120 4.076 1.00 0.29 H new ATOM 0 HB3 LYS A 394 12.192 8.365 4.743 1.00 0.29 H new ATOM 0 HG2 LYS A 394 13.481 9.172 3.144 1.00 0.29 H new ATOM 0 HG3 LYS A 394 12.397 8.611 1.887 1.00 0.29 H new ATOM 0 HD2 LYS A 394 12.383 10.913 1.627 1.00 0.61 H new ATOM 0 HD3 LYS A 394 10.909 10.596 2.521 1.00 0.61 H new ATOM 0 HE2 LYS A 394 12.007 11.156 4.626 1.00 0.52 H new ATOM 0 HE3 LYS A 394 13.551 11.334 3.815 1.00 0.52 H new ATOM 0 HZ1 LYS A 394 12.522 13.468 4.219 1.00 0.67 H new ATOM 0 HZ2 LYS A 394 12.640 13.189 2.548 1.00 0.67 H new ATOM 0 HZ3 LYS A 394 11.145 13.016 3.334 1.00 0.67 H new ATOM 900 N GLY A 395 12.096 5.861 5.035 1.00 0.32 N ATOM 901 CA GLY A 395 11.978 4.897 6.073 1.00 0.39 C ATOM 902 C GLY A 395 13.278 4.379 6.538 1.00 0.44 C ATOM 903 O GLY A 395 14.274 4.487 5.851 1.00 0.81 O ATOM 0 H GLY A 395 13.038 6.201 4.841 1.00 0.32 H new ATOM 0 HA2 GLY A 395 11.450 5.343 6.916 1.00 0.39 H new ATOM 0 HA3 GLY A 395 11.369 4.065 5.719 1.00 0.39 H new ATOM 907 N THR A 396 13.244 3.745 7.665 1.00 0.58 N ATOM 908 CA THR A 396 14.382 3.077 8.167 1.00 0.57 C ATOM 909 C THR A 396 14.297 1.654 7.784 1.00 0.60 C ATOM 910 O THR A 396 13.333 0.945 8.080 1.00 0.71 O ATOM 911 CB THR A 396 14.550 3.234 9.658 1.00 0.67 C ATOM 912 OG1 THR A 396 13.293 3.530 10.285 1.00 0.79 O ATOM 913 CG2 THR A 396 15.546 4.335 9.888 1.00 0.68 C ATOM 0 H THR A 396 12.418 3.680 8.260 1.00 0.58 H new ATOM 0 HA THR A 396 15.269 3.533 7.727 1.00 0.57 H new ATOM 0 HB THR A 396 14.910 2.306 10.101 1.00 0.67 H new ATOM 0 HG1 THR A 396 13.424 3.626 11.251 1.00 0.79 H new ATOM 0 HG21 THR A 396 15.692 4.476 10.959 1.00 0.68 H new ATOM 0 HG22 THR A 396 16.496 4.069 9.424 1.00 0.68 H new ATOM 0 HG23 THR A 396 15.174 5.260 9.448 1.00 0.68 H new ATOM 921 N ASN A 397 15.284 1.299 7.027 1.00 0.55 N ATOM 922 CA ASN A 397 15.455 -0.049 6.544 1.00 0.62 C ATOM 923 C ASN A 397 15.399 -1.064 7.666 1.00 0.69 C ATOM 924 O ASN A 397 15.299 -0.703 8.837 1.00 0.70 O ATOM 925 CB ASN A 397 16.775 -0.222 5.863 1.00 0.63 C ATOM 926 CG ASN A 397 16.648 0.006 4.394 1.00 0.70 C ATOM 927 OD1 ASN A 397 16.486 -0.927 3.615 1.00 1.12 O ATOM 928 ND2 ASN A 397 16.658 1.248 4.017 1.00 0.50 N ATOM 0 H ASN A 397 16.012 1.943 6.717 1.00 0.55 H new ATOM 0 HA ASN A 397 14.636 -0.216 5.845 1.00 0.62 H new ATOM 0 HB2 ASN A 397 17.500 0.476 6.282 1.00 0.63 H new ATOM 0 HB3 ASN A 397 17.156 -1.226 6.048 1.00 0.63 H new ATOM 0 HD21 ASN A 397 16.527 1.483 3.033 1.00 0.50 H new ATOM 0 HD22 ASN A 397 16.797 1.989 4.705 1.00 0.50 H new ATOM 935 N ASP A 398 15.525 -2.324 7.329 1.00 0.78 N ATOM 936 CA ASP A 398 15.758 -3.337 8.340 1.00 0.85 C ATOM 937 C ASP A 398 16.978 -2.979 9.179 1.00 0.78 C ATOM 938 O ASP A 398 17.103 -3.383 10.337 1.00 0.83 O ATOM 939 CB ASP A 398 15.976 -4.690 7.692 1.00 0.97 C ATOM 940 CG ASP A 398 16.855 -4.613 6.465 1.00 1.23 C ATOM 941 OD1 ASP A 398 16.348 -4.189 5.403 1.00 1.63 O1- ATOM 942 OD2 ASP A 398 18.042 -4.983 6.549 1.00 1.65 O ATOM 0 H ASP A 398 15.471 -2.675 6.373 1.00 0.78 H new ATOM 0 HA ASP A 398 14.879 -3.383 8.983 1.00 0.85 H new ATOM 0 HB2 ASP A 398 16.429 -5.367 8.417 1.00 0.97 H new ATOM 0 HB3 ASP A 398 15.011 -5.116 7.417 1.00 0.97 H new ATOM 947 N ASP A 399 17.863 -2.183 8.590 1.00 0.73 N ATOM 948 CA ASP A 399 19.130 -1.849 9.215 1.00 0.78 C ATOM 949 C ASP A 399 18.967 -0.635 10.092 1.00 0.74 C ATOM 950 O ASP A 399 19.710 -0.430 11.046 1.00 0.86 O ATOM 951 CB ASP A 399 20.149 -1.505 8.166 1.00 0.85 C ATOM 952 CG ASP A 399 21.557 -1.928 8.537 1.00 1.18 C ATOM 953 OD1 ASP A 399 22.248 -1.165 9.246 1.00 2.00 O1- ATOM 954 OD2 ASP A 399 21.989 -3.021 8.105 1.00 1.39 O ATOM 0 H ASP A 399 17.722 -1.756 7.674 1.00 0.73 H new ATOM 0 HA ASP A 399 19.454 -2.710 9.800 1.00 0.78 H new ATOM 0 HB2 ASP A 399 19.869 -1.982 7.227 1.00 0.85 H new ATOM 0 HB3 ASP A 399 20.134 -0.429 7.993 1.00 0.85 H new ATOM 959 N GLY A 400 17.985 0.164 9.748 1.00 0.65 N ATOM 960 CA GLY A 400 17.840 1.451 10.364 1.00 0.65 C ATOM 961 C GLY A 400 18.457 2.512 9.505 1.00 0.61 C ATOM 962 O GLY A 400 18.995 3.506 9.988 1.00 0.66 O ATOM 0 H GLY A 400 17.279 -0.058 9.046 1.00 0.65 H new ATOM 0 HA2 GLY A 400 16.784 1.669 10.521 1.00 0.65 H new ATOM 0 HA3 GLY A 400 18.314 1.447 11.346 1.00 0.65 H new ATOM 966 N THR A 401 18.374 2.282 8.218 1.00 0.56 N ATOM 967 CA THR A 401 18.916 3.160 7.252 1.00 0.56 C ATOM 968 C THR A 401 17.785 3.720 6.470 1.00 0.50 C ATOM 969 O THR A 401 16.936 2.995 5.967 1.00 0.50 O ATOM 970 CB THR A 401 19.893 2.453 6.318 1.00 0.61 C ATOM 971 OG1 THR A 401 19.257 1.340 5.684 1.00 0.61 O ATOM 972 CG2 THR A 401 21.098 1.965 7.093 1.00 0.68 C ATOM 0 H THR A 401 17.917 1.461 7.822 1.00 0.56 H new ATOM 0 HA THR A 401 19.477 3.946 7.758 1.00 0.56 H new ATOM 0 HB THR A 401 20.216 3.164 5.558 1.00 0.61 H new ATOM 0 HG1 THR A 401 19.894 0.896 5.086 1.00 0.61 H new ATOM 0 HG21 THR A 401 21.788 1.462 6.415 1.00 0.68 H new ATOM 0 HG22 THR A 401 21.600 2.814 7.557 1.00 0.68 H new ATOM 0 HG23 THR A 401 20.775 1.267 7.866 1.00 0.68 H new ATOM 980 N PRO A 402 17.730 5.007 6.389 1.00 0.50 N ATOM 981 CA PRO A 402 16.669 5.686 5.731 1.00 0.46 C ATOM 982 C PRO A 402 16.760 5.530 4.242 1.00 0.45 C ATOM 983 O PRO A 402 17.829 5.555 3.633 1.00 0.56 O ATOM 984 CB PRO A 402 16.878 7.116 6.117 1.00 0.55 C ATOM 985 CG PRO A 402 17.877 7.098 7.198 1.00 0.81 C ATOM 986 CD PRO A 402 18.715 5.936 6.872 1.00 0.58 C ATOM 0 HA PRO A 402 15.690 5.299 6.012 1.00 0.46 H new ATOM 0 HB2 PRO A 402 17.231 7.702 5.269 1.00 0.55 H new ATOM 0 HB3 PRO A 402 15.946 7.570 6.453 1.00 0.55 H new ATOM 0 HG2 PRO A 402 18.460 8.019 7.221 1.00 0.81 H new ATOM 0 HG3 PRO A 402 17.408 6.993 8.176 1.00 0.81 H new ATOM 0 HD2 PRO A 402 19.466 6.169 6.117 1.00 0.58 H new ATOM 0 HD3 PRO A 402 19.247 5.555 7.744 1.00 0.58 H new ATOM 994 N TYR A 403 15.610 5.380 3.693 1.00 0.36 N ATOM 995 CA TYR A 403 15.437 5.072 2.299 1.00 0.34 C ATOM 996 C TYR A 403 14.355 5.960 1.760 1.00 0.29 C ATOM 997 O TYR A 403 13.803 6.743 2.503 1.00 0.29 O ATOM 998 CB TYR A 403 15.064 3.591 2.102 1.00 0.34 C ATOM 999 CG TYR A 403 13.663 3.212 2.576 1.00 0.31 C ATOM 1000 CD1 TYR A 403 12.546 3.520 1.805 1.00 0.29 C ATOM 1001 CD2 TYR A 403 13.452 2.564 3.792 1.00 0.37 C ATOM 1002 CE1 TYR A 403 11.275 3.202 2.220 1.00 0.28 C ATOM 1003 CE2 TYR A 403 12.177 2.243 4.213 1.00 0.38 C ATOM 1004 CZ TYR A 403 11.091 2.565 3.424 1.00 0.32 C ATOM 1005 OH TYR A 403 9.819 2.241 3.834 1.00 0.35 O ATOM 0 H TYR A 403 14.732 5.468 4.205 1.00 0.36 H new ATOM 0 HA TYR A 403 16.371 5.244 1.765 1.00 0.34 H new ATOM 0 HB2 TYR A 403 15.152 3.347 1.043 1.00 0.34 H new ATOM 0 HB3 TYR A 403 15.790 2.975 2.632 1.00 0.34 H new ATOM 0 HD1 TYR A 403 12.681 4.021 0.858 1.00 0.29 H new ATOM 0 HD2 TYR A 403 14.298 2.309 4.413 1.00 0.37 H new ATOM 0 HE1 TYR A 403 10.425 3.452 1.603 1.00 0.28 H new ATOM 0 HE2 TYR A 403 12.030 1.741 5.158 1.00 0.38 H new ATOM 0 HH TYR A 403 9.255 2.075 3.050 1.00 0.35 H new ATOM 1015 N GLU A 404 14.025 5.796 0.507 1.00 0.28 N ATOM 1016 CA GLU A 404 12.953 6.557 -0.110 1.00 0.24 C ATOM 1017 C GLU A 404 12.146 5.726 -1.075 1.00 0.24 C ATOM 1018 O GLU A 404 12.537 4.639 -1.503 1.00 0.31 O ATOM 1019 CB GLU A 404 13.462 7.759 -0.878 1.00 0.27 C ATOM 1020 CG GLU A 404 13.829 8.961 -0.056 1.00 0.29 C ATOM 1021 CD GLU A 404 14.815 9.858 -0.769 1.00 0.36 C ATOM 1022 OE1 GLU A 404 14.384 10.691 -1.593 1.00 0.45 O ATOM 1023 OE2 GLU A 404 16.030 9.722 -0.521 1.00 0.62 O1- ATOM 0 H GLU A 404 14.485 5.135 -0.119 1.00 0.28 H new ATOM 0 HA GLU A 404 12.331 6.882 0.724 1.00 0.24 H new ATOM 0 HB2 GLU A 404 14.338 7.454 -1.451 1.00 0.27 H new ATOM 0 HB3 GLU A 404 12.698 8.055 -1.597 1.00 0.27 H new ATOM 0 HG2 GLU A 404 12.928 9.528 0.179 1.00 0.29 H new ATOM 0 HG3 GLU A 404 14.256 8.635 0.892 1.00 0.29 H new ATOM 1030 N SER A 405 10.993 6.273 -1.362 1.00 0.20 N ATOM 1031 CA SER A 405 10.101 5.793 -2.361 1.00 0.20 C ATOM 1032 C SER A 405 9.485 7.011 -3.054 1.00 0.18 C ATOM 1033 O SER A 405 8.595 7.669 -2.510 1.00 0.23 O ATOM 1034 CB SER A 405 9.048 4.947 -1.660 1.00 0.26 C ATOM 1035 OG SER A 405 7.745 5.216 -2.123 1.00 1.33 O ATOM 0 H SER A 405 10.644 7.101 -0.879 1.00 0.20 H new ATOM 0 HA SER A 405 10.597 5.181 -3.114 1.00 0.20 H new ATOM 0 HB2 SER A 405 9.274 3.892 -1.812 1.00 0.26 H new ATOM 0 HB3 SER A 405 9.094 5.131 -0.587 1.00 0.26 H new ATOM 0 HG SER A 405 7.748 5.258 -3.102 1.00 1.33 H new ATOM 1041 N PRO A 406 10.019 7.386 -4.223 1.00 0.18 N ATOM 1042 CA PRO A 406 9.464 8.458 -5.024 1.00 0.19 C ATOM 1043 C PRO A 406 8.117 8.066 -5.575 1.00 0.17 C ATOM 1044 O PRO A 406 8.005 7.331 -6.554 1.00 0.17 O ATOM 1045 CB PRO A 406 10.483 8.617 -6.144 1.00 0.20 C ATOM 1046 CG PRO A 406 11.081 7.278 -6.254 1.00 0.19 C ATOM 1047 CD PRO A 406 11.193 6.806 -4.848 1.00 0.18 C ATOM 0 HA PRO A 406 9.301 9.377 -4.461 1.00 0.19 H new ATOM 0 HB2 PRO A 406 10.010 8.924 -7.077 1.00 0.20 H new ATOM 0 HB3 PRO A 406 11.231 9.372 -5.903 1.00 0.20 H new ATOM 0 HG2 PRO A 406 10.456 6.611 -6.848 1.00 0.19 H new ATOM 0 HG3 PRO A 406 12.056 7.317 -6.739 1.00 0.19 H new ATOM 0 HD2 PRO A 406 11.190 5.718 -4.785 1.00 0.18 H new ATOM 0 HD3 PRO A 406 12.114 7.150 -4.377 1.00 0.18 H new ATOM 1055 N VAL A 407 7.116 8.602 -4.963 1.00 0.17 N ATOM 1056 CA VAL A 407 5.778 8.263 -5.224 1.00 0.17 C ATOM 1057 C VAL A 407 5.035 9.458 -5.795 1.00 0.19 C ATOM 1058 O VAL A 407 5.495 10.598 -5.758 1.00 0.30 O ATOM 1059 CB VAL A 407 5.217 7.781 -3.884 1.00 0.16 C ATOM 1060 CG1 VAL A 407 3.931 8.466 -3.537 1.00 0.15 C ATOM 1061 CG2 VAL A 407 5.137 6.258 -3.843 1.00 0.23 C ATOM 0 H VAL A 407 7.223 9.315 -4.241 1.00 0.17 H new ATOM 0 HA VAL A 407 5.672 7.481 -5.976 1.00 0.17 H new ATOM 0 HB VAL A 407 5.913 8.070 -3.096 1.00 0.16 H new ATOM 0 HG11 VAL A 407 3.568 8.094 -2.579 1.00 0.15 H new ATOM 0 HG12 VAL A 407 4.098 9.541 -3.470 1.00 0.15 H new ATOM 0 HG13 VAL A 407 3.190 8.262 -4.310 1.00 0.15 H new ATOM 0 HG21 VAL A 407 4.735 5.941 -2.881 1.00 0.23 H new ATOM 0 HG22 VAL A 407 4.485 5.906 -4.642 1.00 0.23 H new ATOM 0 HG23 VAL A 407 6.134 5.838 -3.977 1.00 0.23 H new ATOM 1071 N ASN A 408 3.932 9.141 -6.398 1.00 0.19 N ATOM 1072 CA ASN A 408 3.078 10.068 -7.078 1.00 0.21 C ATOM 1073 C ASN A 408 1.793 10.138 -6.316 1.00 0.19 C ATOM 1074 O ASN A 408 1.123 11.166 -6.251 1.00 0.26 O ATOM 1075 CB ASN A 408 2.856 9.476 -8.442 1.00 0.34 C ATOM 1076 CG ASN A 408 4.165 9.203 -9.097 1.00 1.01 C ATOM 1077 OD1 ASN A 408 4.711 10.019 -9.840 1.00 1.84 O ATOM 1078 ND2 ASN A 408 4.679 8.038 -8.793 1.00 1.01 N ATOM 0 H ASN A 408 3.585 8.183 -6.432 1.00 0.19 H new ATOM 0 HA ASN A 408 3.493 11.073 -7.156 1.00 0.21 H new ATOM 0 HB2 ASN A 408 2.282 8.553 -8.358 1.00 0.34 H new ATOM 0 HB3 ASN A 408 2.270 10.161 -9.054 1.00 0.34 H new ATOM 0 HD21 ASN A 408 5.582 7.763 -9.179 1.00 1.01 H new ATOM 0 HD22 ASN A 408 4.176 7.406 -8.170 1.00 1.01 H new ATOM 1085 N TYR A 409 1.480 9.001 -5.740 1.00 0.15 N ATOM 1086 CA TYR A 409 0.320 8.864 -4.871 1.00 0.15 C ATOM 1087 C TYR A 409 0.668 8.060 -3.636 1.00 0.14 C ATOM 1088 O TYR A 409 1.003 6.879 -3.717 1.00 0.15 O ATOM 1089 CB TYR A 409 -0.848 8.217 -5.588 1.00 0.19 C ATOM 1090 CG TYR A 409 -1.312 9.003 -6.781 1.00 0.23 C ATOM 1091 CD1 TYR A 409 -1.893 10.247 -6.612 1.00 0.38 C ATOM 1092 CD2 TYR A 409 -1.154 8.518 -8.068 1.00 0.31 C ATOM 1093 CE1 TYR A 409 -2.310 10.989 -7.688 1.00 0.44 C ATOM 1094 CE2 TYR A 409 -1.567 9.256 -9.156 1.00 0.34 C ATOM 1095 CZ TYR A 409 -2.146 10.494 -8.963 1.00 0.35 C ATOM 1096 OH TYR A 409 -2.560 11.238 -10.043 1.00 0.41 O ATOM 0 H TYR A 409 2.018 8.142 -5.856 1.00 0.15 H new ATOM 0 HA TYR A 409 0.022 9.870 -4.575 1.00 0.15 H new ATOM 0 HB2 TYR A 409 -0.561 7.216 -5.909 1.00 0.19 H new ATOM 0 HB3 TYR A 409 -1.677 8.103 -4.890 1.00 0.19 H new ATOM 0 HD1 TYR A 409 -2.021 10.641 -5.615 1.00 0.38 H new ATOM 0 HD2 TYR A 409 -0.702 7.549 -8.221 1.00 0.31 H new ATOM 0 HE1 TYR A 409 -2.765 11.957 -7.536 1.00 0.44 H new ATOM 0 HE2 TYR A 409 -1.438 8.867 -10.155 1.00 0.34 H new ATOM 0 HH TYR A 409 -1.994 11.035 -10.817 1.00 0.41 H new ATOM 1106 N TRP A 410 0.578 8.722 -2.510 1.00 0.13 N ATOM 1107 CA TRP A 410 0.888 8.151 -1.214 1.00 0.11 C ATOM 1108 C TRP A 410 -0.278 8.308 -0.281 1.00 0.10 C ATOM 1109 O TRP A 410 -0.899 9.370 -0.197 1.00 0.12 O ATOM 1110 CB TRP A 410 2.105 8.859 -0.615 1.00 0.12 C ATOM 1111 CG TRP A 410 2.521 8.390 0.743 1.00 0.11 C ATOM 1112 CD1 TRP A 410 2.908 9.186 1.768 1.00 0.12 C ATOM 1113 CD2 TRP A 410 2.623 7.048 1.221 1.00 0.11 C ATOM 1114 NE1 TRP A 410 3.225 8.436 2.859 1.00 0.13 N ATOM 1115 CE2 TRP A 410 3.071 7.112 2.550 1.00 0.11 C ATOM 1116 CE3 TRP A 410 2.378 5.805 0.660 1.00 0.11 C ATOM 1117 CZ2 TRP A 410 3.283 5.971 3.319 1.00 0.12 C ATOM 1118 CZ3 TRP A 410 2.590 4.677 1.414 1.00 0.11 C ATOM 1119 CH2 TRP A 410 3.043 4.765 2.733 1.00 0.11 C ATOM 0 H TRP A 410 0.280 9.697 -2.463 1.00 0.13 H new ATOM 0 HA TRP A 410 1.103 7.091 -1.345 1.00 0.11 H new ATOM 0 HB2 TRP A 410 2.947 8.735 -1.296 1.00 0.12 H new ATOM 0 HB3 TRP A 410 1.892 9.927 -0.562 1.00 0.12 H new ATOM 0 HD1 TRP A 410 2.958 10.264 1.726 1.00 0.12 H new ATOM 0 HE1 TRP A 410 3.528 8.802 3.761 1.00 0.13 H new ATOM 0 HE3 TRP A 410 2.025 5.724 -0.357 1.00 0.11 H new ATOM 0 HZ2 TRP A 410 3.625 6.039 4.341 1.00 0.12 H new ATOM 0 HZ3 TRP A 410 2.404 3.706 0.980 1.00 0.11 H new ATOM 0 HH2 TRP A 410 3.206 3.859 3.299 1.00 0.11 H new ATOM 1130 N MET A 411 -0.571 7.249 0.413 1.00 0.09 N ATOM 1131 CA MET A 411 -1.573 7.282 1.432 1.00 0.10 C ATOM 1132 C MET A 411 -1.108 6.550 2.687 1.00 0.09 C ATOM 1133 O MET A 411 -1.370 5.359 2.853 1.00 0.10 O ATOM 1134 CB MET A 411 -2.833 6.670 0.885 1.00 0.12 C ATOM 1135 CG MET A 411 -3.878 7.699 0.522 1.00 0.14 C ATOM 1136 SD MET A 411 -4.764 7.246 -0.973 1.00 0.41 S ATOM 1137 CE MET A 411 -5.119 5.533 -0.613 1.00 0.13 C ATOM 0 H MET A 411 -0.123 6.341 0.288 1.00 0.09 H new ATOM 0 HA MET A 411 -1.764 8.316 1.720 1.00 0.10 H new ATOM 0 HB2 MET A 411 -2.590 6.079 0.002 1.00 0.12 H new ATOM 0 HB3 MET A 411 -3.248 5.984 1.623 1.00 0.12 H new ATOM 0 HG2 MET A 411 -4.584 7.807 1.345 1.00 0.14 H new ATOM 0 HG3 MET A 411 -3.401 8.669 0.383 1.00 0.14 H new ATOM 0 HE1 MET A 411 -5.526 5.051 -1.502 1.00 0.13 H new ATOM 0 HE2 MET A 411 -4.202 5.027 -0.313 1.00 0.13 H new ATOM 0 HE3 MET A 411 -5.847 5.475 0.196 1.00 0.13 H new ATOM 1147 N PRO A 412 -0.393 7.251 3.579 1.00 0.09 N ATOM 1148 CA PRO A 412 0.142 6.663 4.816 1.00 0.09 C ATOM 1149 C PRO A 412 -0.940 6.366 5.828 1.00 0.09 C ATOM 1150 O PRO A 412 -1.893 7.122 6.000 1.00 0.09 O ATOM 1151 CB PRO A 412 1.051 7.769 5.346 1.00 0.10 C ATOM 1152 CG PRO A 412 0.410 9.011 4.859 1.00 0.16 C ATOM 1153 CD PRO A 412 -0.039 8.681 3.467 1.00 0.11 C ATOM 0 HA PRO A 412 0.640 5.710 4.636 1.00 0.09 H new ATOM 0 HB2 PRO A 412 1.113 7.750 6.434 1.00 0.10 H new ATOM 0 HB3 PRO A 412 2.068 7.668 4.967 1.00 0.10 H new ATOM 0 HG2 PRO A 412 -0.431 9.297 5.490 1.00 0.16 H new ATOM 0 HG3 PRO A 412 1.110 9.847 4.863 1.00 0.16 H new ATOM 0 HD2 PRO A 412 -0.891 9.288 3.160 1.00 0.11 H new ATOM 0 HD3 PRO A 412 0.751 8.848 2.735 1.00 0.11 H new ATOM 1161 N ILE A 413 -0.770 5.226 6.468 1.00 0.09 N ATOM 1162 CA ILE A 413 -1.744 4.680 7.393 1.00 0.10 C ATOM 1163 C ILE A 413 -1.118 4.425 8.752 1.00 0.14 C ATOM 1164 O ILE A 413 -1.813 4.200 9.739 1.00 0.17 O ATOM 1165 CB ILE A 413 -2.273 3.364 6.842 1.00 0.09 C ATOM 1166 CG1 ILE A 413 -1.153 2.312 6.830 1.00 0.10 C ATOM 1167 CG2 ILE A 413 -2.805 3.625 5.454 1.00 0.09 C ATOM 1168 CD1 ILE A 413 -1.451 1.095 5.993 1.00 0.11 C ATOM 0 H ILE A 413 0.061 4.644 6.359 1.00 0.09 H new ATOM 0 HA ILE A 413 -2.553 5.401 7.508 1.00 0.10 H new ATOM 0 HB ILE A 413 -3.075 2.973 7.468 1.00 0.09 H new ATOM 0 HG12 ILE A 413 -0.239 2.777 6.461 1.00 0.10 H new ATOM 0 HG13 ILE A 413 -0.958 1.995 7.854 1.00 0.10 H new ATOM 0 HG21 ILE A 413 -3.192 2.697 5.032 1.00 0.09 H new ATOM 0 HG22 ILE A 413 -3.606 4.363 5.504 1.00 0.09 H new ATOM 0 HG23 ILE A 413 -2.002 4.004 4.822 1.00 0.09 H new ATOM 0 HD11 ILE A 413 -0.608 0.405 6.041 1.00 0.11 H new ATOM 0 HD12 ILE A 413 -2.346 0.602 6.373 1.00 0.11 H new ATOM 0 HD13 ILE A 413 -1.615 1.396 4.958 1.00 0.11 H new ATOM 1180 N ASP A 414 0.210 4.424 8.771 1.00 0.15 N ATOM 1181 CA ASP A 414 0.967 4.206 9.995 1.00 0.22 C ATOM 1182 C ASP A 414 2.080 5.245 10.100 1.00 0.21 C ATOM 1183 O ASP A 414 2.414 5.887 9.104 1.00 0.22 O ATOM 1184 CB ASP A 414 1.549 2.790 10.009 1.00 0.31 C ATOM 1185 CG ASP A 414 2.025 2.358 11.377 1.00 0.88 C ATOM 1186 OD1 ASP A 414 1.192 1.887 12.175 1.00 1.59 O ATOM 1187 OD2 ASP A 414 3.235 2.479 11.654 1.00 1.23 O1- ATOM 0 H ASP A 414 0.788 4.573 7.944 1.00 0.15 H new ATOM 0 HA ASP A 414 0.304 4.312 10.854 1.00 0.22 H new ATOM 0 HB2 ASP A 414 0.792 2.089 9.656 1.00 0.31 H new ATOM 0 HB3 ASP A 414 2.382 2.739 9.308 1.00 0.31 H new ATOM 1192 N TRP A 415 2.675 5.389 11.277 1.00 0.24 N ATOM 1193 CA TRP A 415 3.720 6.389 11.490 1.00 0.25 C ATOM 1194 C TRP A 415 5.121 5.789 11.396 1.00 0.27 C ATOM 1195 O TRP A 415 6.101 6.404 11.823 1.00 0.31 O ATOM 1196 CB TRP A 415 3.520 7.126 12.810 1.00 0.28 C ATOM 1197 CG TRP A 415 2.500 8.216 12.707 1.00 0.28 C ATOM 1198 CD1 TRP A 415 2.747 9.555 12.645 1.00 0.30 C ATOM 1199 CD2 TRP A 415 1.077 8.066 12.624 1.00 0.27 C ATOM 1200 NE1 TRP A 415 1.567 10.250 12.549 1.00 0.30 N ATOM 1201 CE2 TRP A 415 0.527 9.357 12.533 1.00 0.28 C ATOM 1202 CE3 TRP A 415 0.213 6.967 12.625 1.00 0.27 C ATOM 1203 CZ2 TRP A 415 -0.844 9.575 12.443 1.00 0.28 C ATOM 1204 CZ3 TRP A 415 -1.147 7.194 12.532 1.00 0.27 C ATOM 1205 CH2 TRP A 415 -1.661 8.487 12.443 1.00 0.27 C ATOM 0 H TRP A 415 2.454 4.828 12.100 1.00 0.24 H new ATOM 0 HA TRP A 415 3.632 7.117 10.683 1.00 0.25 H new ATOM 0 HB2 TRP A 415 3.212 6.415 13.577 1.00 0.28 H new ATOM 0 HB3 TRP A 415 4.470 7.551 13.133 1.00 0.28 H new ATOM 0 HD1 TRP A 415 3.729 10.004 12.668 1.00 0.30 H new ATOM 0 HE1 TRP A 415 1.479 11.265 12.498 1.00 0.30 H new ATOM 0 HE3 TRP A 415 0.600 5.961 12.697 1.00 0.27 H new ATOM 0 HZ2 TRP A 415 -1.247 10.575 12.375 1.00 0.28 H new ATOM 0 HZ3 TRP A 415 -1.825 6.353 12.528 1.00 0.27 H new ATOM 0 HH2 TRP A 415 -2.729 8.628 12.373 1.00 0.27 H new ATOM 1216 N THR A 416 5.226 4.596 10.851 1.00 0.27 N ATOM 1217 CA THR A 416 6.528 4.014 10.578 1.00 0.32 C ATOM 1218 C THR A 416 6.873 4.322 9.145 1.00 0.30 C ATOM 1219 O THR A 416 8.036 4.458 8.753 1.00 0.35 O ATOM 1220 CB THR A 416 6.517 2.492 10.771 1.00 0.40 C ATOM 1221 OG1 THR A 416 5.328 1.945 10.187 1.00 0.41 O ATOM 1222 CG2 THR A 416 6.586 2.130 12.244 1.00 0.44 C ATOM 0 H THR A 416 4.433 4.011 10.589 1.00 0.27 H new ATOM 0 HA THR A 416 7.259 4.433 11.269 1.00 0.32 H new ATOM 0 HB THR A 416 7.394 2.072 10.278 1.00 0.40 H new ATOM 0 HG1 THR A 416 4.643 1.838 10.879 1.00 0.41 H new ATOM 0 HG21 THR A 416 6.577 1.046 12.353 1.00 0.44 H new ATOM 0 HG22 THR A 416 7.504 2.530 12.674 1.00 0.44 H new ATOM 0 HG23 THR A 416 5.727 2.554 12.764 1.00 0.44 H new ATOM 1230 N GLY A 417 5.812 4.487 8.387 1.00 0.24 N ATOM 1231 CA GLY A 417 5.918 4.789 6.998 1.00 0.24 C ATOM 1232 C GLY A 417 5.210 3.778 6.149 1.00 0.19 C ATOM 1233 O GLY A 417 5.613 3.503 5.023 1.00 0.20 O ATOM 0 H GLY A 417 4.854 4.413 8.728 1.00 0.24 H new ATOM 0 HA2 GLY A 417 5.500 5.778 6.809 1.00 0.24 H new ATOM 0 HA3 GLY A 417 6.970 4.828 6.715 1.00 0.24 H new ATOM 1237 N VAL A 418 4.141 3.224 6.690 1.00 0.15 N ATOM 1238 CA VAL A 418 3.346 2.289 5.942 1.00 0.11 C ATOM 1239 C VAL A 418 2.096 2.952 5.412 1.00 0.09 C ATOM 1240 O VAL A 418 1.554 3.876 6.024 1.00 0.09 O ATOM 1241 CB VAL A 418 2.975 1.039 6.767 1.00 0.14 C ATOM 1242 CG1 VAL A 418 2.030 0.131 6.003 1.00 0.14 C ATOM 1243 CG2 VAL A 418 4.228 0.283 7.113 1.00 0.17 C ATOM 0 H VAL A 418 3.811 3.408 7.638 1.00 0.15 H new ATOM 0 HA VAL A 418 3.958 1.957 5.104 1.00 0.11 H new ATOM 0 HB VAL A 418 2.469 1.366 7.675 1.00 0.14 H new ATOM 0 HG11 VAL A 418 1.789 -0.740 6.613 1.00 0.14 H new ATOM 0 HG12 VAL A 418 1.114 0.674 5.768 1.00 0.14 H new ATOM 0 HG13 VAL A 418 2.506 -0.195 5.078 1.00 0.14 H new ATOM 0 HG21 VAL A 418 3.970 -0.601 7.696 1.00 0.17 H new ATOM 0 HG22 VAL A 418 4.734 -0.021 6.197 1.00 0.17 H new ATOM 0 HG23 VAL A 418 4.889 0.923 7.697 1.00 0.17 H new ATOM 1253 N GLY A 419 1.660 2.470 4.272 1.00 0.10 N ATOM 1254 CA GLY A 419 0.502 3.020 3.613 1.00 0.08 C ATOM 1255 C GLY A 419 0.330 2.435 2.237 1.00 0.08 C ATOM 1256 O GLY A 419 0.992 1.452 1.892 1.00 0.09 O ATOM 0 H GLY A 419 2.096 1.691 3.779 1.00 0.10 H new ATOM 0 HA2 GLY A 419 -0.388 2.821 4.210 1.00 0.08 H new ATOM 0 HA3 GLY A 419 0.601 4.103 3.541 1.00 0.08 H new ATOM 1260 N ILE A 420 -0.535 3.038 1.443 1.00 0.08 N ATOM 1261 CA ILE A 420 -0.716 2.622 0.082 1.00 0.09 C ATOM 1262 C ILE A 420 0.003 3.604 -0.833 1.00 0.07 C ATOM 1263 O ILE A 420 -0.033 4.810 -0.593 1.00 0.08 O ATOM 1264 CB ILE A 420 -2.217 2.558 -0.267 1.00 0.10 C ATOM 1265 CG1 ILE A 420 -2.644 1.126 -0.541 1.00 0.11 C ATOM 1266 CG2 ILE A 420 -2.525 3.399 -1.467 1.00 0.12 C ATOM 1267 CD1 ILE A 420 -2.854 0.278 0.690 1.00 0.11 C ATOM 0 H ILE A 420 -1.123 3.822 1.728 1.00 0.08 H new ATOM 0 HA ILE A 420 -0.298 1.625 -0.054 1.00 0.09 H new ATOM 0 HB ILE A 420 -2.769 2.943 0.590 1.00 0.10 H new ATOM 0 HG12 ILE A 420 -3.570 1.142 -1.115 1.00 0.11 H new ATOM 0 HG13 ILE A 420 -1.889 0.651 -1.167 1.00 0.11 H new ATOM 0 HG21 ILE A 420 -3.590 3.336 -1.692 1.00 0.12 H new ATOM 0 HG22 ILE A 420 -2.258 4.436 -1.263 1.00 0.12 H new ATOM 0 HG23 ILE A 420 -1.952 3.038 -2.321 1.00 0.12 H new ATOM 0 HD11 ILE A 420 -3.157 -0.726 0.393 1.00 0.11 H new ATOM 0 HD12 ILE A 420 -1.925 0.224 1.257 1.00 0.11 H new ATOM 0 HD13 ILE A 420 -3.632 0.723 1.310 1.00 0.11 H new ATOM 1279 N HIS A 421 0.659 3.107 -1.864 1.00 0.07 N ATOM 1280 CA HIS A 421 1.339 3.992 -2.798 1.00 0.07 C ATOM 1281 C HIS A 421 1.369 3.421 -4.185 1.00 0.09 C ATOM 1282 O HIS A 421 1.181 2.230 -4.397 1.00 0.11 O ATOM 1283 CB HIS A 421 2.781 4.278 -2.399 1.00 0.09 C ATOM 1284 CG HIS A 421 3.652 3.075 -2.259 1.00 0.11 C ATOM 1285 ND1 HIS A 421 4.220 2.423 -3.324 1.00 0.12 N ATOM 1286 CD2 HIS A 421 4.122 2.472 -1.149 1.00 0.13 C ATOM 1287 CE1 HIS A 421 5.033 1.472 -2.835 1.00 0.15 C ATOM 1288 NE2 HIS A 421 5.005 1.459 -1.518 1.00 0.15 N ATOM 0 H HIS A 421 0.737 2.112 -2.077 1.00 0.07 H new ATOM 0 HA HIS A 421 0.762 4.917 -2.774 1.00 0.07 H new ATOM 0 HB2 HIS A 421 3.222 4.942 -3.143 1.00 0.09 H new ATOM 0 HB3 HIS A 421 2.779 4.817 -1.452 1.00 0.09 H new ATOM 0 HD2 HIS A 421 3.857 2.732 -0.135 1.00 0.13 H new ATOM 0 HE1 HIS A 421 5.630 0.807 -3.441 1.00 0.15 H new ATOM 0 HE2 HIS A 421 5.522 0.837 -0.897 1.00 0.15 H new ATOM 1296 N ASP A 422 1.649 4.298 -5.119 1.00 0.11 N ATOM 1297 CA ASP A 422 1.879 3.935 -6.470 1.00 0.14 C ATOM 1298 C ASP A 422 3.358 3.691 -6.627 1.00 0.19 C ATOM 1299 O ASP A 422 4.179 4.407 -6.062 1.00 0.29 O ATOM 1300 CB ASP A 422 1.403 5.061 -7.368 1.00 0.20 C ATOM 1301 CG ASP A 422 2.500 5.996 -7.803 1.00 0.31 C ATOM 1302 OD1 ASP A 422 2.916 6.840 -6.983 1.00 0.33 O1- ATOM 1303 OD2 ASP A 422 2.937 5.899 -8.963 1.00 0.42 O ATOM 0 H ASP A 422 1.722 5.300 -4.943 1.00 0.11 H new ATOM 0 HA ASP A 422 1.334 3.033 -6.747 1.00 0.14 H new ATOM 0 HB2 ASP A 422 0.931 4.633 -8.252 1.00 0.20 H new ATOM 0 HB3 ASP A 422 0.638 5.633 -6.843 1.00 0.20 H new ATOM 1308 N SER A 423 3.701 2.664 -7.343 1.00 0.15 N ATOM 1309 CA SER A 423 5.085 2.286 -7.442 1.00 0.19 C ATOM 1310 C SER A 423 5.432 2.074 -8.883 1.00 0.15 C ATOM 1311 O SER A 423 5.118 1.054 -9.495 1.00 0.16 O ATOM 1312 CB SER A 423 5.282 1.011 -6.629 1.00 0.26 C ATOM 1313 OG SER A 423 4.218 0.881 -5.706 1.00 1.48 O ATOM 0 H SER A 423 3.052 2.075 -7.864 1.00 0.15 H new ATOM 0 HA SER A 423 5.740 3.064 -7.050 1.00 0.19 H new ATOM 0 HB2 SER A 423 5.314 0.145 -7.290 1.00 0.26 H new ATOM 0 HB3 SER A 423 6.235 1.045 -6.101 1.00 0.26 H new ATOM 0 HG SER A 423 4.200 1.663 -5.115 1.00 1.48 H new ATOM 1319 N ASP A 424 6.070 3.085 -9.407 1.00 0.13 N ATOM 1320 CA ASP A 424 6.437 3.121 -10.798 1.00 0.13 C ATOM 1321 C ASP A 424 7.862 2.634 -11.013 1.00 0.12 C ATOM 1322 O ASP A 424 8.181 2.004 -12.020 1.00 0.15 O ATOM 1323 CB ASP A 424 6.205 4.523 -11.305 1.00 0.15 C ATOM 1324 CG ASP A 424 6.827 4.776 -12.661 1.00 0.25 C ATOM 1325 OD1 ASP A 424 6.213 4.399 -13.680 1.00 0.34 O ATOM 1326 OD2 ASP A 424 7.933 5.351 -12.713 1.00 0.35 O1- ATOM 0 H ASP A 424 6.352 3.911 -8.879 1.00 0.13 H new ATOM 0 HA ASP A 424 5.816 2.434 -11.373 1.00 0.13 H new ATOM 0 HB2 ASP A 424 5.133 4.709 -11.364 1.00 0.15 H new ATOM 0 HB3 ASP A 424 6.613 5.234 -10.587 1.00 0.15 H new ATOM 1331 N TRP A 425 8.712 2.962 -10.033 1.00 0.12 N ATOM 1332 CA TRP A 425 10.096 2.493 -9.980 1.00 0.14 C ATOM 1333 C TRP A 425 10.102 0.987 -9.838 1.00 0.15 C ATOM 1334 O TRP A 425 11.059 0.304 -10.192 1.00 0.18 O ATOM 1335 CB TRP A 425 10.798 3.117 -8.764 1.00 0.14 C ATOM 1336 CG TRP A 425 10.364 2.578 -7.443 1.00 0.12 C ATOM 1337 CD1 TRP A 425 10.817 1.473 -6.804 1.00 0.13 C ATOM 1338 CD2 TRP A 425 9.406 3.169 -6.592 1.00 0.12 C ATOM 1339 NE1 TRP A 425 10.174 1.330 -5.596 1.00 0.13 N ATOM 1340 CE2 TRP A 425 9.302 2.371 -5.446 1.00 0.12 C ATOM 1341 CE3 TRP A 425 8.625 4.300 -6.702 1.00 0.14 C ATOM 1342 CZ2 TRP A 425 8.436 2.680 -4.408 1.00 0.14 C ATOM 1343 CZ3 TRP A 425 7.778 4.615 -5.681 1.00 0.16 C ATOM 1344 CH2 TRP A 425 7.682 3.811 -4.542 1.00 0.15 C ATOM 0 H TRP A 425 8.454 3.564 -9.251 1.00 0.12 H new ATOM 0 HA TRP A 425 10.618 2.782 -10.892 1.00 0.14 H new ATOM 0 HB2 TRP A 425 11.873 2.966 -8.866 1.00 0.14 H new ATOM 0 HB3 TRP A 425 10.625 4.193 -8.776 1.00 0.14 H new ATOM 0 HD1 TRP A 425 11.572 0.802 -7.187 1.00 0.13 H new ATOM 0 HE1 TRP A 425 10.323 0.575 -4.926 1.00 0.13 H new ATOM 0 HE3 TRP A 425 8.683 4.925 -7.581 1.00 0.14 H new ATOM 0 HZ2 TRP A 425 8.361 2.053 -3.532 1.00 0.14 H new ATOM 0 HZ3 TRP A 425 7.169 5.504 -5.754 1.00 0.16 H new ATOM 0 HH2 TRP A 425 6.999 4.089 -3.753 1.00 0.15 H new ATOM 1355 N GLN A 426 9.024 0.513 -9.250 1.00 0.15 N ATOM 1356 CA GLN A 426 8.868 -0.874 -8.862 1.00 0.17 C ATOM 1357 C GLN A 426 7.675 -1.466 -9.548 1.00 0.18 C ATOM 1358 O GLN A 426 6.569 -1.545 -9.017 1.00 0.28 O ATOM 1359 CB GLN A 426 8.658 -0.917 -7.395 1.00 0.18 C ATOM 1360 CG GLN A 426 9.724 -1.662 -6.616 1.00 0.58 C ATOM 1361 CD GLN A 426 9.642 -3.165 -6.772 1.00 0.63 C ATOM 1362 OE1 GLN A 426 10.668 -3.838 -6.762 1.00 1.33 O ATOM 1363 NE2 GLN A 426 8.430 -3.715 -6.896 1.00 0.22 N ATOM 0 H GLN A 426 8.215 1.092 -9.024 1.00 0.15 H new ATOM 0 HA GLN A 426 9.754 -1.443 -9.143 1.00 0.17 H new ATOM 0 HB2 GLN A 426 8.604 0.105 -7.021 1.00 0.18 H new ATOM 0 HB3 GLN A 426 7.692 -1.381 -7.195 1.00 0.18 H new ATOM 0 HG2 GLN A 426 10.707 -1.323 -6.944 1.00 0.58 H new ATOM 0 HG3 GLN A 426 9.636 -1.408 -5.560 1.00 0.58 H new ATOM 0 HE21 GLN A 426 7.599 -3.123 -6.900 1.00 0.22 H new ATOM 0 HE22 GLN A 426 8.336 -4.727 -6.986 1.00 0.22 H new ATOM 1372 N PRO A 427 7.938 -1.876 -10.748 1.00 0.16 N ATOM 1373 CA PRO A 427 6.956 -2.116 -11.768 1.00 0.18 C ATOM 1374 C PRO A 427 6.251 -3.452 -11.664 1.00 0.16 C ATOM 1375 O PRO A 427 5.463 -3.809 -12.545 1.00 0.18 O ATOM 1376 CB PRO A 427 7.828 -2.074 -13.001 1.00 0.23 C ATOM 1377 CG PRO A 427 9.050 -2.732 -12.542 1.00 0.23 C ATOM 1378 CD PRO A 427 9.282 -2.118 -11.227 1.00 0.19 C ATOM 0 HA PRO A 427 6.132 -1.404 -11.729 1.00 0.18 H new ATOM 0 HB2 PRO A 427 7.373 -2.601 -13.839 1.00 0.23 H new ATOM 0 HB3 PRO A 427 8.016 -1.052 -13.331 1.00 0.23 H new ATOM 0 HG2 PRO A 427 8.923 -3.812 -12.466 1.00 0.23 H new ATOM 0 HG3 PRO A 427 9.883 -2.556 -13.222 1.00 0.23 H new ATOM 0 HD2 PRO A 427 9.836 -2.781 -10.562 1.00 0.19 H new ATOM 0 HD3 PRO A 427 9.856 -1.195 -11.307 1.00 0.19 H new ATOM 1386 N GLU A 428 6.531 -4.184 -10.601 1.00 0.14 N ATOM 1387 CA GLU A 428 5.988 -5.511 -10.451 1.00 0.14 C ATOM 1388 C GLU A 428 5.012 -5.571 -9.295 1.00 0.12 C ATOM 1389 O GLU A 428 5.086 -4.777 -8.366 1.00 0.15 O ATOM 1390 CB GLU A 428 7.093 -6.489 -10.175 1.00 0.17 C ATOM 1391 CG GLU A 428 6.807 -7.862 -10.694 1.00 0.22 C ATOM 1392 CD GLU A 428 7.250 -8.051 -12.129 1.00 0.64 C ATOM 1393 OE1 GLU A 428 8.440 -8.355 -12.353 1.00 0.98 O ATOM 1394 OE2 GLU A 428 6.416 -7.892 -13.039 1.00 1.10 O1- ATOM 0 H GLU A 428 7.130 -3.878 -9.834 1.00 0.14 H new ATOM 0 HA GLU A 428 5.473 -5.763 -11.378 1.00 0.14 H new ATOM 0 HB2 GLU A 428 8.015 -6.122 -10.625 1.00 0.17 H new ATOM 0 HB3 GLU A 428 7.263 -6.542 -9.100 1.00 0.17 H new ATOM 0 HG2 GLU A 428 7.310 -8.596 -10.064 1.00 0.22 H new ATOM 0 HG3 GLU A 428 5.737 -8.058 -10.620 1.00 0.22 H new ATOM 1401 N TYR A 429 4.123 -6.549 -9.373 1.00 0.11 N ATOM 1402 CA TYR A 429 2.983 -6.699 -8.467 1.00 0.10 C ATOM 1403 C TYR A 429 2.430 -8.098 -8.588 1.00 0.10 C ATOM 1404 O TYR A 429 2.099 -8.544 -9.693 1.00 0.14 O ATOM 1405 CB TYR A 429 1.836 -5.788 -8.844 1.00 0.13 C ATOM 1406 CG TYR A 429 2.179 -4.601 -9.699 1.00 0.16 C ATOM 1407 CD1 TYR A 429 2.584 -3.416 -9.120 1.00 0.19 C ATOM 1408 CD2 TYR A 429 2.092 -4.671 -11.076 1.00 0.23 C ATOM 1409 CE1 TYR A 429 2.900 -2.318 -9.897 1.00 0.25 C ATOM 1410 CE2 TYR A 429 2.405 -3.585 -11.863 1.00 0.29 C ATOM 1411 CZ TYR A 429 2.808 -2.408 -11.270 1.00 0.30 C ATOM 1412 OH TYR A 429 3.114 -1.317 -12.053 1.00 0.38 O ATOM 0 H TYR A 429 4.171 -7.280 -10.083 1.00 0.11 H new ATOM 0 HA TYR A 429 3.348 -6.465 -7.467 1.00 0.10 H new ATOM 0 HB2 TYR A 429 1.086 -6.381 -9.368 1.00 0.13 H new ATOM 0 HB3 TYR A 429 1.372 -5.426 -7.927 1.00 0.13 H new ATOM 0 HD1 TYR A 429 2.655 -3.346 -8.045 1.00 0.19 H new ATOM 0 HD2 TYR A 429 1.774 -5.592 -11.543 1.00 0.23 H new ATOM 0 HE1 TYR A 429 3.217 -1.396 -9.432 1.00 0.25 H new ATOM 0 HE2 TYR A 429 2.335 -3.655 -12.938 1.00 0.29 H new ATOM 0 HH TYR A 429 2.998 -1.550 -12.998 1.00 0.38 H new ATOM 1422 N GLY A 430 2.334 -8.791 -7.487 1.00 0.10 N ATOM 1423 CA GLY A 430 1.797 -10.125 -7.530 1.00 0.12 C ATOM 1424 C GLY A 430 2.419 -11.008 -6.492 1.00 0.13 C ATOM 1425 O GLY A 430 3.121 -10.504 -5.617 1.00 0.13 O ATOM 0 H GLY A 430 2.615 -8.463 -6.563 1.00 0.10 H new ATOM 0 HA2 GLY A 430 0.718 -10.088 -7.377 1.00 0.12 H new ATOM 0 HA3 GLY A 430 1.964 -10.553 -8.519 1.00 0.12 H new ATOM 1429 N GLY A 431 2.195 -12.320 -6.642 1.00 0.16 N ATOM 1430 CA GLY A 431 2.831 -13.339 -5.811 1.00 0.20 C ATOM 1431 C GLY A 431 4.209 -12.939 -5.338 1.00 0.17 C ATOM 1432 O GLY A 431 4.920 -12.229 -6.049 1.00 0.16 O ATOM 0 H GLY A 431 1.564 -12.701 -7.347 1.00 0.16 H new ATOM 0 HA2 GLY A 431 2.200 -13.540 -4.945 1.00 0.20 H new ATOM 0 HA3 GLY A 431 2.902 -14.268 -6.376 1.00 0.20 H new ATOM 1436 N ASP A 432 4.654 -13.514 -4.231 1.00 0.18 N ATOM 1437 CA ASP A 432 5.537 -12.800 -3.324 1.00 0.18 C ATOM 1438 C ASP A 432 6.772 -12.311 -4.009 1.00 0.18 C ATOM 1439 O ASP A 432 7.759 -13.013 -4.232 1.00 0.19 O ATOM 1440 CB ASP A 432 5.950 -13.705 -2.177 1.00 0.22 C ATOM 1441 CG ASP A 432 4.796 -14.467 -1.564 1.00 0.25 C ATOM 1442 OD1 ASP A 432 4.447 -15.546 -2.086 1.00 0.29 O ATOM 1443 OD2 ASP A 432 4.247 -14.003 -0.548 1.00 0.33 O1- ATOM 0 H ASP A 432 4.421 -14.464 -3.942 1.00 0.18 H new ATOM 0 HA ASP A 432 4.981 -11.939 -2.954 1.00 0.18 H new ATOM 0 HB2 ASP A 432 6.695 -14.416 -2.535 1.00 0.22 H new ATOM 0 HB3 ASP A 432 6.429 -13.104 -1.404 1.00 0.22 H new ATOM 1448 N LEU A 433 6.661 -11.045 -4.293 1.00 0.16 N ATOM 1449 CA LEU A 433 7.682 -10.251 -4.871 1.00 0.15 C ATOM 1450 C LEU A 433 8.389 -9.535 -3.771 1.00 0.14 C ATOM 1451 O LEU A 433 9.577 -9.273 -3.871 1.00 0.15 O ATOM 1452 CB LEU A 433 6.999 -9.308 -5.815 1.00 0.14 C ATOM 1453 CG LEU A 433 6.552 -9.964 -7.104 1.00 0.15 C ATOM 1454 CD1 LEU A 433 5.603 -9.061 -7.850 1.00 0.13 C ATOM 1455 CD2 LEU A 433 7.760 -10.319 -7.944 1.00 0.18 C ATOM 0 H LEU A 433 5.805 -10.520 -4.114 1.00 0.16 H new ATOM 0 HA LEU A 433 8.425 -10.832 -5.417 1.00 0.15 H new ATOM 0 HB2 LEU A 433 6.132 -8.873 -5.318 1.00 0.14 H new ATOM 0 HB3 LEU A 433 7.677 -8.487 -6.050 1.00 0.14 H new ATOM 0 HG LEU A 433 6.016 -10.885 -6.875 1.00 0.15 H new ATOM 0 HD11 LEU A 433 5.290 -9.546 -8.775 1.00 0.13 H new ATOM 0 HD12 LEU A 433 4.728 -8.862 -7.231 1.00 0.13 H new ATOM 0 HD13 LEU A 433 6.103 -8.121 -8.085 1.00 0.13 H new ATOM 0 HD21 LEU A 433 7.433 -10.791 -8.871 1.00 0.18 H new ATOM 0 HD22 LEU A 433 8.321 -9.413 -8.176 1.00 0.18 H new ATOM 0 HD23 LEU A 433 8.398 -11.009 -7.391 1.00 0.18 H new ATOM 1467 N TRP A 434 7.646 -9.205 -2.733 1.00 0.14 N ATOM 1468 CA TRP A 434 8.172 -8.401 -1.648 1.00 0.14 C ATOM 1469 C TRP A 434 9.533 -8.899 -1.209 1.00 0.17 C ATOM 1470 O TRP A 434 10.453 -8.109 -0.984 1.00 0.22 O ATOM 1471 CB TRP A 434 7.181 -8.342 -0.479 1.00 0.15 C ATOM 1472 CG TRP A 434 6.589 -9.662 -0.061 1.00 0.16 C ATOM 1473 CD1 TRP A 434 5.710 -10.427 -0.767 1.00 0.17 C ATOM 1474 CD2 TRP A 434 6.784 -10.342 1.188 1.00 0.16 C ATOM 1475 NE1 TRP A 434 5.388 -11.556 -0.051 1.00 0.18 N ATOM 1476 CE2 TRP A 434 6.033 -11.521 1.149 1.00 0.18 C ATOM 1477 CE3 TRP A 434 7.533 -10.076 2.326 1.00 0.17 C ATOM 1478 CZ2 TRP A 434 6.011 -12.423 2.206 1.00 0.19 C ATOM 1479 CZ3 TRP A 434 7.511 -10.966 3.378 1.00 0.19 C ATOM 1480 CH2 TRP A 434 6.755 -12.129 3.312 1.00 0.19 C ATOM 0 H TRP A 434 6.671 -9.483 -2.618 1.00 0.14 H new ATOM 0 HA TRP A 434 8.305 -7.383 -2.014 1.00 0.14 H new ATOM 0 HB2 TRP A 434 7.687 -7.902 0.381 1.00 0.15 H new ATOM 0 HB3 TRP A 434 6.368 -7.669 -0.749 1.00 0.15 H new ATOM 0 HD1 TRP A 434 5.323 -10.183 -1.745 1.00 0.17 H new ATOM 0 HE1 TRP A 434 4.766 -12.300 -0.367 1.00 0.18 H new ATOM 0 HE3 TRP A 434 8.129 -9.177 2.387 1.00 0.17 H new ATOM 0 HZ2 TRP A 434 5.424 -13.328 2.154 1.00 0.19 H new ATOM 0 HZ3 TRP A 434 8.089 -10.756 4.266 1.00 0.19 H new ATOM 0 HH2 TRP A 434 6.756 -12.812 4.149 1.00 0.19 H new ATOM 1491 N LYS A 435 9.673 -10.220 -1.227 1.00 0.17 N ATOM 1492 CA LYS A 435 10.856 -10.890 -0.749 1.00 0.19 C ATOM 1493 C LYS A 435 12.097 -10.470 -1.481 1.00 0.20 C ATOM 1494 O LYS A 435 13.199 -10.523 -0.942 1.00 0.22 O ATOM 1495 CB LYS A 435 10.672 -12.357 -0.906 1.00 0.20 C ATOM 1496 CG LYS A 435 9.594 -12.842 -0.020 1.00 0.22 C ATOM 1497 CD LYS A 435 9.492 -14.317 -0.091 1.00 0.26 C ATOM 1498 CE LYS A 435 8.255 -14.738 0.606 1.00 0.35 C ATOM 1499 NZ LYS A 435 8.449 -15.967 1.423 1.00 0.64 N1+ ATOM 0 H LYS A 435 8.956 -10.854 -1.579 1.00 0.17 H new ATOM 0 HA LYS A 435 10.989 -10.616 0.298 1.00 0.19 H new ATOM 0 HB2 LYS A 435 10.431 -12.590 -1.943 1.00 0.20 H new ATOM 0 HB3 LYS A 435 11.603 -12.873 -0.672 1.00 0.20 H new ATOM 0 HG2 LYS A 435 9.792 -12.534 1.007 1.00 0.22 H new ATOM 0 HG3 LYS A 435 8.645 -12.391 -0.311 1.00 0.22 H new ATOM 0 HD2 LYS A 435 9.471 -14.645 -1.130 1.00 0.26 H new ATOM 0 HD3 LYS A 435 10.364 -14.779 0.372 1.00 0.26 H new ATOM 0 HE2 LYS A 435 7.912 -13.928 1.250 1.00 0.35 H new ATOM 0 HE3 LYS A 435 7.470 -14.915 -0.129 1.00 0.35 H new ATOM 0 HZ1 LYS A 435 7.554 -16.219 1.889 1.00 0.64 H new ATOM 0 HZ2 LYS A 435 8.750 -16.749 0.807 1.00 0.64 H new ATOM 0 HZ3 LYS A 435 9.178 -15.793 2.144 1.00 0.64 H new ATOM 1513 N THR A 436 11.917 -10.056 -2.702 1.00 0.19 N ATOM 1514 CA THR A 436 13.030 -9.677 -3.518 1.00 0.21 C ATOM 1515 C THR A 436 12.991 -8.182 -3.784 1.00 0.19 C ATOM 1516 O THR A 436 14.019 -7.499 -3.784 1.00 0.23 O ATOM 1517 CB THR A 436 12.995 -10.451 -4.844 1.00 0.22 C ATOM 1518 OG1 THR A 436 11.865 -10.047 -5.630 1.00 0.21 O ATOM 1519 CG2 THR A 436 12.887 -11.933 -4.556 1.00 0.25 C ATOM 0 H THR A 436 11.006 -9.973 -3.154 1.00 0.19 H new ATOM 0 HA THR A 436 13.955 -9.918 -2.994 1.00 0.21 H new ATOM 0 HB THR A 436 13.910 -10.239 -5.397 1.00 0.22 H new ATOM 0 HG1 THR A 436 11.106 -9.860 -5.039 1.00 0.21 H new ATOM 0 HG21 THR A 436 12.862 -12.485 -5.495 1.00 0.25 H new ATOM 0 HG22 THR A 436 13.748 -12.253 -3.970 1.00 0.25 H new ATOM 0 HG23 THR A 436 11.973 -12.129 -3.995 1.00 0.25 H new ATOM 1527 N ARG A 437 11.775 -7.683 -3.941 1.00 0.16 N ATOM 1528 CA ARG A 437 11.549 -6.343 -4.451 1.00 0.15 C ATOM 1529 C ARG A 437 11.626 -5.274 -3.371 1.00 0.17 C ATOM 1530 O ARG A 437 11.741 -4.084 -3.663 1.00 0.20 O ATOM 1531 CB ARG A 437 10.202 -6.320 -5.123 1.00 0.14 C ATOM 1532 CG ARG A 437 10.038 -7.401 -6.143 1.00 0.15 C ATOM 1533 CD ARG A 437 9.257 -6.914 -7.338 1.00 0.17 C ATOM 1534 NE ARG A 437 10.040 -5.970 -8.127 1.00 0.23 N ATOM 1535 CZ ARG A 437 10.522 -6.222 -9.343 1.00 0.30 C ATOM 1536 NH1 ARG A 437 10.342 -7.409 -9.908 1.00 0.34 N1+ ATOM 1537 NH2 ARG A 437 11.212 -5.291 -9.984 1.00 0.36 N ATOM 0 H ARG A 437 10.921 -8.195 -3.719 1.00 0.16 H new ATOM 0 HA ARG A 437 12.343 -6.106 -5.160 1.00 0.15 H new ATOM 0 HB2 ARG A 437 9.423 -6.421 -4.367 1.00 0.14 H new ATOM 0 HB3 ARG A 437 10.058 -5.352 -5.602 1.00 0.14 H new ATOM 0 HG2 ARG A 437 11.019 -7.752 -6.465 1.00 0.15 H new ATOM 0 HG3 ARG A 437 9.527 -8.253 -5.694 1.00 0.15 H new ATOM 0 HD2 ARG A 437 8.970 -7.762 -7.959 1.00 0.17 H new ATOM 0 HD3 ARG A 437 8.335 -6.437 -7.004 1.00 0.17 H new ATOM 0 HE ARG A 437 10.232 -5.055 -7.720 1.00 0.23 H new ATOM 0 HH11 ARG A 437 9.831 -8.138 -9.411 1.00 0.34 H new ATOM 0 HH12 ARG A 437 10.715 -7.592 -10.840 1.00 0.34 H new ATOM 0 HH21 ARG A 437 11.373 -4.384 -9.546 1.00 0.36 H new ATOM 0 HH22 ARG A 437 11.582 -5.481 -10.915 1.00 0.36 H new ATOM 1551 N GLY A 438 11.563 -5.711 -2.136 1.00 0.16 N ATOM 1552 CA GLY A 438 12.061 -4.893 -1.036 1.00 0.17 C ATOM 1553 C GLY A 438 11.195 -3.708 -0.613 1.00 0.17 C ATOM 1554 O GLY A 438 11.729 -2.637 -0.320 1.00 0.21 O ATOM 0 H GLY A 438 11.179 -6.615 -1.861 1.00 0.16 H new ATOM 0 HA2 GLY A 438 12.201 -5.538 -0.169 1.00 0.17 H new ATOM 0 HA3 GLY A 438 13.045 -4.513 -1.313 1.00 0.17 H new ATOM 1558 N SER A 439 9.881 -3.881 -0.549 1.00 0.15 N ATOM 1559 CA SER A 439 9.003 -2.823 -0.034 1.00 0.16 C ATOM 1560 C SER A 439 8.922 -2.933 1.497 1.00 0.14 C ATOM 1561 O SER A 439 8.698 -4.003 2.020 1.00 0.20 O ATOM 1562 CB SER A 439 7.607 -2.992 -0.631 1.00 0.22 C ATOM 1563 OG SER A 439 7.664 -3.095 -2.043 1.00 0.47 O ATOM 0 H SER A 439 9.399 -4.731 -0.842 1.00 0.15 H new ATOM 0 HA SER A 439 9.402 -1.847 -0.309 1.00 0.16 H new ATOM 0 HB2 SER A 439 7.137 -3.884 -0.217 1.00 0.22 H new ATOM 0 HB3 SER A 439 6.983 -2.143 -0.350 1.00 0.22 H new ATOM 0 HG SER A 439 6.767 -3.276 -2.394 1.00 0.47 H new ATOM 1569 N HIS A 440 9.097 -1.830 2.214 1.00 0.14 N ATOM 1570 CA HIS A 440 9.254 -1.875 3.675 1.00 0.16 C ATOM 1571 C HIS A 440 7.943 -1.599 4.379 1.00 0.16 C ATOM 1572 O HIS A 440 7.787 -0.575 5.044 1.00 0.21 O ATOM 1573 CB HIS A 440 10.269 -0.845 4.171 1.00 0.22 C ATOM 1574 CG HIS A 440 11.669 -1.069 3.744 1.00 0.26 C ATOM 1575 ND1 HIS A 440 12.158 -0.618 2.553 1.00 0.33 N ATOM 1576 CD2 HIS A 440 12.714 -1.632 4.393 1.00 0.30 C ATOM 1577 CE1 HIS A 440 13.436 -0.886 2.485 1.00 0.41 C ATOM 1578 NE2 HIS A 440 13.802 -1.505 3.581 1.00 0.38 N ATOM 0 H HIS A 440 9.135 -0.892 1.815 1.00 0.14 H new ATOM 0 HA HIS A 440 9.605 -2.881 3.907 1.00 0.16 H new ATOM 0 HB2 HIS A 440 9.957 0.141 3.827 1.00 0.22 H new ATOM 0 HB3 HIS A 440 10.239 -0.827 5.260 1.00 0.22 H new ATOM 0 HD2 HIS A 440 12.691 -2.094 5.369 1.00 0.30 H new ATOM 0 HE1 HIS A 440 14.086 -0.637 1.659 1.00 0.41 H new ATOM 0 HE2 HIS A 440 14.743 -1.836 3.791 1.00 0.38 H new ATOM 1587 N GLY A 441 7.009 -2.521 4.233 1.00 0.15 N ATOM 1588 CA GLY A 441 5.718 -2.375 4.857 1.00 0.16 C ATOM 1589 C GLY A 441 4.794 -1.603 3.962 1.00 0.15 C ATOM 1590 O GLY A 441 3.587 -1.584 4.153 1.00 0.18 O ATOM 0 H GLY A 441 7.125 -3.375 3.688 1.00 0.15 H new ATOM 0 HA2 GLY A 441 5.295 -3.357 5.068 1.00 0.16 H new ATOM 0 HA3 GLY A 441 5.824 -1.861 5.813 1.00 0.16 H new ATOM 1594 N CYS A 442 5.385 -0.986 2.963 1.00 0.14 N ATOM 1595 CA CYS A 442 4.654 -0.189 2.014 1.00 0.16 C ATOM 1596 C CYS A 442 4.120 -1.065 0.897 1.00 0.18 C ATOM 1597 O CYS A 442 4.785 -2.010 0.463 1.00 0.28 O ATOM 1598 CB CYS A 442 5.556 0.907 1.473 1.00 0.20 C ATOM 1599 SG CYS A 442 7.118 0.305 0.789 1.00 0.83 S ATOM 0 H CYS A 442 6.389 -1.025 2.789 1.00 0.14 H new ATOM 0 HA CYS A 442 3.801 0.278 2.507 1.00 0.16 H new ATOM 0 HB2 CYS A 442 5.020 1.455 0.699 1.00 0.20 H new ATOM 0 HB3 CYS A 442 5.771 1.615 2.274 1.00 0.20 H new ATOM 0 HG CYS A 442 7.816 1.310 0.352 1.00 0.83 H new ATOM 1605 N ILE A 443 2.912 -0.778 0.460 1.00 0.13 N ATOM 1606 CA ILE A 443 2.261 -1.582 -0.540 1.00 0.12 C ATOM 1607 C ILE A 443 2.474 -1.006 -1.927 1.00 0.12 C ATOM 1608 O ILE A 443 2.044 0.106 -2.236 1.00 0.15 O ATOM 1609 CB ILE A 443 0.758 -1.744 -0.231 1.00 0.11 C ATOM 1610 CG1 ILE A 443 0.559 -2.797 0.867 1.00 0.10 C ATOM 1611 CG2 ILE A 443 -0.013 -2.129 -1.488 1.00 0.10 C ATOM 1612 CD1 ILE A 443 1.333 -2.557 2.137 1.00 0.10 C ATOM 0 H ILE A 443 2.361 0.015 0.788 1.00 0.13 H new ATOM 0 HA ILE A 443 2.714 -2.573 -0.517 1.00 0.12 H new ATOM 0 HB ILE A 443 0.370 -0.789 0.123 1.00 0.11 H new ATOM 0 HG12 ILE A 443 -0.502 -2.847 1.112 1.00 0.10 H new ATOM 0 HG13 ILE A 443 0.840 -3.772 0.468 1.00 0.10 H new ATOM 0 HG21 ILE A 443 -1.070 -2.238 -1.247 1.00 0.10 H new ATOM 0 HG22 ILE A 443 0.109 -1.352 -2.242 1.00 0.10 H new ATOM 0 HG23 ILE A 443 0.370 -3.073 -1.875 1.00 0.10 H new ATOM 0 HD11 ILE A 443 1.123 -3.356 2.848 1.00 0.10 H new ATOM 0 HD12 ILE A 443 2.400 -2.540 1.915 1.00 0.10 H new ATOM 0 HD13 ILE A 443 1.037 -1.601 2.568 1.00 0.10 H new ATOM 1624 N ASN A 444 3.174 -1.773 -2.738 1.00 0.14 N ATOM 1625 CA ASN A 444 3.488 -1.376 -4.103 1.00 0.16 C ATOM 1626 C ASN A 444 2.273 -1.543 -5.016 1.00 0.11 C ATOM 1627 O ASN A 444 2.074 -2.595 -5.618 1.00 0.12 O ATOM 1628 CB ASN A 444 4.735 -2.159 -4.582 1.00 0.30 C ATOM 1629 CG ASN A 444 5.164 -2.000 -6.031 1.00 0.88 C ATOM 1630 OD1 ASN A 444 6.351 -2.020 -6.300 1.00 1.56 O ATOM 1631 ND2 ASN A 444 4.246 -1.922 -6.976 1.00 1.77 N ATOM 0 H ASN A 444 3.542 -2.687 -2.474 1.00 0.14 H new ATOM 0 HA ASN A 444 3.733 -0.315 -4.140 1.00 0.16 H new ATOM 0 HB2 ASN A 444 5.575 -1.868 -3.951 1.00 0.30 H new ATOM 0 HB3 ASN A 444 4.554 -3.219 -4.402 1.00 0.30 H new ATOM 0 HD21 ASN A 444 4.525 -1.877 -7.956 1.00 1.77 H new ATOM 0 HD22 ASN A 444 3.257 -1.907 -6.726 1.00 1.77 H new ATOM 1638 N THR A 445 1.466 -0.493 -5.106 1.00 0.11 N ATOM 1639 CA THR A 445 0.337 -0.442 -6.013 1.00 0.10 C ATOM 1640 C THR A 445 0.779 0.162 -7.331 1.00 0.11 C ATOM 1641 O THR A 445 1.613 1.062 -7.376 1.00 0.14 O ATOM 1642 CB THR A 445 -0.788 0.395 -5.374 1.00 0.11 C ATOM 1643 OG1 THR A 445 -1.072 -0.123 -4.071 1.00 0.18 O ATOM 1644 CG2 THR A 445 -2.045 0.380 -6.218 1.00 0.14 C ATOM 0 H THR A 445 1.582 0.351 -4.545 1.00 0.11 H new ATOM 0 HA THR A 445 -0.041 -1.447 -6.203 1.00 0.10 H new ATOM 0 HB THR A 445 -0.451 1.429 -5.305 1.00 0.11 H new ATOM 0 HG1 THR A 445 -1.901 -0.646 -4.100 1.00 0.18 H new ATOM 0 HG21 THR A 445 -2.815 0.981 -5.734 1.00 0.14 H new ATOM 0 HG22 THR A 445 -1.827 0.793 -7.203 1.00 0.14 H new ATOM 0 HG23 THR A 445 -2.399 -0.645 -6.325 1.00 0.14 H new ATOM 1652 N PRO A 446 0.272 -0.386 -8.429 1.00 0.09 N ATOM 1653 CA PRO A 446 0.574 0.101 -9.762 1.00 0.08 C ATOM 1654 C PRO A 446 0.203 1.555 -9.926 1.00 0.09 C ATOM 1655 O PRO A 446 -0.870 1.968 -9.524 1.00 0.12 O ATOM 1656 CB PRO A 446 -0.284 -0.757 -10.663 1.00 0.09 C ATOM 1657 CG PRO A 446 -0.543 -1.983 -9.869 1.00 0.10 C ATOM 1658 CD PRO A 446 -0.627 -1.538 -8.457 1.00 0.09 C ATOM 0 HA PRO A 446 1.639 0.039 -9.985 1.00 0.08 H new ATOM 0 HB2 PRO A 446 -1.213 -0.251 -10.927 1.00 0.09 H new ATOM 0 HB3 PRO A 446 0.229 -0.989 -11.596 1.00 0.09 H new ATOM 0 HG2 PRO A 446 -1.469 -2.464 -10.183 1.00 0.10 H new ATOM 0 HG3 PRO A 446 0.256 -2.712 -10.003 1.00 0.10 H new ATOM 0 HD2 PRO A 446 -1.645 -1.264 -8.179 1.00 0.09 H new ATOM 0 HD3 PRO A 446 -0.307 -2.318 -7.767 1.00 0.09 H new ATOM 1666 N PRO A 447 1.078 2.330 -10.550 1.00 0.09 N ATOM 1667 CA PRO A 447 0.938 3.789 -10.694 1.00 0.09 C ATOM 1668 C PRO A 447 -0.355 4.195 -11.340 1.00 0.09 C ATOM 1669 O PRO A 447 -0.935 5.237 -11.026 1.00 0.16 O ATOM 1670 CB PRO A 447 2.109 4.110 -11.605 1.00 0.10 C ATOM 1671 CG PRO A 447 3.102 3.126 -11.150 1.00 0.10 C ATOM 1672 CD PRO A 447 2.306 1.867 -11.199 1.00 0.09 C ATOM 0 HA PRO A 447 0.933 4.311 -9.737 1.00 0.09 H new ATOM 0 HB2 PRO A 447 1.858 3.984 -12.658 1.00 0.10 H new ATOM 0 HB3 PRO A 447 2.458 5.135 -11.481 1.00 0.10 H new ATOM 0 HG2 PRO A 447 3.973 3.088 -11.804 1.00 0.10 H new ATOM 0 HG3 PRO A 447 3.467 3.343 -10.146 1.00 0.10 H new ATOM 0 HD2 PRO A 447 2.135 1.519 -12.218 1.00 0.09 H new ATOM 0 HD3 PRO A 447 2.782 1.049 -10.658 1.00 0.09 H new ATOM 1680 N SER A 448 -0.809 3.352 -12.222 1.00 0.08 N ATOM 1681 CA SER A 448 -2.007 3.613 -12.954 1.00 0.09 C ATOM 1682 C SER A 448 -3.229 3.236 -12.123 1.00 0.09 C ATOM 1683 O SER A 448 -4.237 3.941 -12.126 1.00 0.11 O ATOM 1684 CB SER A 448 -1.987 2.842 -14.259 1.00 0.11 C ATOM 1685 OG SER A 448 -1.630 1.489 -14.034 1.00 1.17 O ATOM 0 H SER A 448 -0.357 2.467 -12.451 1.00 0.08 H new ATOM 0 HA SER A 448 -2.065 4.678 -13.177 1.00 0.09 H new ATOM 0 HB2 SER A 448 -2.968 2.891 -14.732 1.00 0.11 H new ATOM 0 HB3 SER A 448 -1.278 3.301 -14.948 1.00 0.11 H new ATOM 0 HG SER A 448 -1.624 1.006 -14.887 1.00 1.17 H new ATOM 1691 N VAL A 449 -3.121 2.134 -11.388 1.00 0.08 N ATOM 1692 CA VAL A 449 -4.216 1.663 -10.558 1.00 0.09 C ATOM 1693 C VAL A 449 -4.276 2.428 -9.236 1.00 0.10 C ATOM 1694 O VAL A 449 -5.339 2.610 -8.651 1.00 0.11 O ATOM 1695 CB VAL A 449 -4.086 0.164 -10.271 1.00 0.11 C ATOM 1696 CG1 VAL A 449 -5.255 -0.299 -9.421 1.00 0.17 C ATOM 1697 CG2 VAL A 449 -4.014 -0.631 -11.565 1.00 0.10 C ATOM 0 H VAL A 449 -2.284 1.552 -11.353 1.00 0.08 H new ATOM 0 HA VAL A 449 -5.138 1.840 -11.112 1.00 0.09 H new ATOM 0 HB VAL A 449 -3.160 -0.009 -9.723 1.00 0.11 H new ATOM 0 HG11 VAL A 449 -5.158 -1.366 -9.219 1.00 0.17 H new ATOM 0 HG12 VAL A 449 -5.260 0.249 -8.479 1.00 0.17 H new ATOM 0 HG13 VAL A 449 -6.188 -0.113 -9.953 1.00 0.17 H new ATOM 0 HG21 VAL A 449 -3.922 -1.693 -11.335 1.00 0.10 H new ATOM 0 HG22 VAL A 449 -4.921 -0.463 -12.146 1.00 0.10 H new ATOM 0 HG23 VAL A 449 -3.148 -0.308 -12.143 1.00 0.10 H new ATOM 1707 N MET A 450 -3.134 2.891 -8.777 1.00 0.10 N ATOM 1708 CA MET A 450 -3.048 3.676 -7.576 1.00 0.11 C ATOM 1709 C MET A 450 -3.711 5.026 -7.790 1.00 0.10 C ATOM 1710 O MET A 450 -4.059 5.723 -6.863 1.00 0.14 O ATOM 1711 CB MET A 450 -1.582 3.823 -7.253 1.00 0.13 C ATOM 1712 CG MET A 450 -1.335 4.528 -5.973 1.00 0.13 C ATOM 1713 SD MET A 450 -2.426 3.984 -4.675 1.00 0.46 S ATOM 1714 CE MET A 450 -2.445 5.488 -3.733 1.00 0.10 C ATOM 0 H MET A 450 -2.236 2.730 -9.233 1.00 0.10 H new ATOM 0 HA MET A 450 -3.566 3.197 -6.745 1.00 0.11 H new ATOM 0 HB2 MET A 450 -1.125 2.834 -7.210 1.00 0.13 H new ATOM 0 HB3 MET A 450 -1.091 4.366 -8.060 1.00 0.13 H new ATOM 0 HG2 MET A 450 -0.302 4.367 -5.666 1.00 0.13 H new ATOM 0 HG3 MET A 450 -1.459 5.601 -6.122 1.00 0.13 H new ATOM 0 HE1 MET A 450 -3.381 5.558 -3.178 1.00 0.10 H new ATOM 0 HE2 MET A 450 -1.608 5.490 -3.035 1.00 0.10 H new ATOM 0 HE3 MET A 450 -2.358 6.340 -4.407 1.00 0.10 H new ATOM 1724 N LYS A 451 -3.857 5.367 -9.053 1.00 0.11 N ATOM 1725 CA LYS A 451 -4.523 6.573 -9.502 1.00 0.11 C ATOM 1726 C LYS A 451 -6.017 6.397 -9.481 1.00 0.10 C ATOM 1727 O LYS A 451 -6.787 7.351 -9.449 1.00 0.14 O ATOM 1728 CB LYS A 451 -4.051 6.777 -10.912 1.00 0.14 C ATOM 1729 CG LYS A 451 -4.212 8.171 -11.411 1.00 0.22 C ATOM 1730 CD LYS A 451 -3.102 8.573 -12.343 1.00 0.68 C ATOM 1731 CE LYS A 451 -2.667 7.407 -13.167 1.00 0.63 C ATOM 1732 NZ LYS A 451 -2.203 7.796 -14.526 1.00 0.81 N1+ ATOM 0 H LYS A 451 -3.504 4.795 -9.820 1.00 0.11 H new ATOM 0 HA LYS A 451 -4.294 7.423 -8.859 1.00 0.11 H new ATOM 0 HB2 LYS A 451 -2.999 6.499 -10.976 1.00 0.14 H new ATOM 0 HB3 LYS A 451 -4.599 6.102 -11.569 1.00 0.14 H new ATOM 0 HG2 LYS A 451 -5.168 8.262 -11.927 1.00 0.22 H new ATOM 0 HG3 LYS A 451 -4.240 8.857 -10.564 1.00 0.22 H new ATOM 0 HD2 LYS A 451 -3.439 9.380 -12.993 1.00 0.68 H new ATOM 0 HD3 LYS A 451 -2.258 8.956 -11.770 1.00 0.68 H new ATOM 0 HE2 LYS A 451 -1.862 6.884 -12.650 1.00 0.63 H new ATOM 0 HE3 LYS A 451 -3.496 6.705 -13.259 1.00 0.63 H new ATOM 0 HZ1 LYS A 451 -1.914 6.946 -15.051 1.00 0.81 H new ATOM 0 HZ2 LYS A 451 -2.976 8.271 -15.034 1.00 0.81 H new ATOM 0 HZ3 LYS A 451 -1.394 8.444 -14.444 1.00 0.81 H new ATOM 1746 N GLU A 452 -6.385 5.141 -9.534 1.00 0.09 N ATOM 1747 CA GLU A 452 -7.749 4.714 -9.470 1.00 0.08 C ATOM 1748 C GLU A 452 -8.144 4.707 -8.048 1.00 0.07 C ATOM 1749 O GLU A 452 -9.206 5.165 -7.658 1.00 0.08 O ATOM 1750 CB GLU A 452 -7.837 3.307 -10.009 1.00 0.08 C ATOM 1751 CG GLU A 452 -7.183 3.139 -11.346 1.00 0.09 C ATOM 1752 CD GLU A 452 -8.046 3.595 -12.503 1.00 0.13 C ATOM 1753 OE1 GLU A 452 -8.317 4.809 -12.604 1.00 0.31 O1- ATOM 1754 OE2 GLU A 452 -8.457 2.746 -13.312 1.00 0.38 O ATOM 0 H GLU A 452 -5.722 4.372 -9.625 1.00 0.09 H new ATOM 0 HA GLU A 452 -8.396 5.373 -10.049 1.00 0.08 H new ATOM 0 HB2 GLU A 452 -7.373 2.624 -9.298 1.00 0.08 H new ATOM 0 HB3 GLU A 452 -8.886 3.021 -10.088 1.00 0.08 H new ATOM 0 HG2 GLU A 452 -6.248 3.700 -11.357 1.00 0.09 H new ATOM 0 HG3 GLU A 452 -6.926 2.089 -11.486 1.00 0.09 H new ATOM 1761 N LEU A 453 -7.250 4.123 -7.298 1.00 0.06 N ATOM 1762 CA LEU A 453 -7.336 4.058 -5.899 1.00 0.05 C ATOM 1763 C LEU A 453 -7.250 5.407 -5.257 1.00 0.05 C ATOM 1764 O LEU A 453 -8.188 5.851 -4.656 1.00 0.05 O ATOM 1765 CB LEU A 453 -6.196 3.281 -5.360 1.00 0.05 C ATOM 1766 CG LEU A 453 -6.340 2.949 -3.917 1.00 0.05 C ATOM 1767 CD1 LEU A 453 -7.515 2.036 -3.729 1.00 0.06 C ATOM 1768 CD2 LEU A 453 -5.072 2.340 -3.397 1.00 0.06 C ATOM 0 H LEU A 453 -6.419 3.669 -7.676 1.00 0.06 H new ATOM 0 HA LEU A 453 -8.300 3.599 -5.678 1.00 0.05 H new ATOM 0 HB2 LEU A 453 -6.093 2.357 -5.930 1.00 0.05 H new ATOM 0 HB3 LEU A 453 -5.277 3.849 -5.505 1.00 0.05 H new ATOM 0 HG LEU A 453 -6.523 3.859 -3.345 1.00 0.05 H new ATOM 0 HD11 LEU A 453 -7.621 1.792 -2.672 1.00 0.06 H new ATOM 0 HD12 LEU A 453 -8.420 2.531 -4.080 1.00 0.06 H new ATOM 0 HD13 LEU A 453 -7.359 1.120 -4.299 1.00 0.06 H new ATOM 0 HD21 LEU A 453 -5.190 2.101 -2.340 1.00 0.06 H new ATOM 0 HD22 LEU A 453 -4.852 1.428 -3.952 1.00 0.06 H new ATOM 0 HD23 LEU A 453 -4.252 3.047 -3.520 1.00 0.06 H new ATOM 1780 N PHE A 454 -6.099 6.047 -5.346 1.00 0.07 N ATOM 1781 CA PHE A 454 -5.949 7.380 -4.797 1.00 0.08 C ATOM 1782 C PHE A 454 -7.097 8.236 -5.315 1.00 0.09 C ATOM 1783 O PHE A 454 -7.535 9.212 -4.704 1.00 0.10 O ATOM 1784 CB PHE A 454 -4.620 8.007 -5.209 1.00 0.13 C ATOM 1785 CG PHE A 454 -4.202 9.146 -4.327 1.00 0.17 C ATOM 1786 CD1 PHE A 454 -4.636 10.434 -4.578 1.00 0.25 C ATOM 1787 CD2 PHE A 454 -3.371 8.922 -3.245 1.00 0.19 C ATOM 1788 CE1 PHE A 454 -4.248 11.477 -3.766 1.00 0.31 C ATOM 1789 CE2 PHE A 454 -2.983 9.961 -2.427 1.00 0.25 C ATOM 1790 CZ PHE A 454 -3.421 11.240 -2.689 1.00 0.29 C ATOM 0 H PHE A 454 -5.262 5.669 -5.789 1.00 0.07 H new ATOM 0 HA PHE A 454 -5.964 7.321 -3.709 1.00 0.08 H new ATOM 0 HB2 PHE A 454 -3.845 7.241 -5.193 1.00 0.13 H new ATOM 0 HB3 PHE A 454 -4.697 8.362 -6.237 1.00 0.13 H new ATOM 0 HD1 PHE A 454 -5.286 10.625 -5.419 1.00 0.25 H new ATOM 0 HD2 PHE A 454 -3.022 7.921 -3.038 1.00 0.19 H new ATOM 0 HE1 PHE A 454 -4.592 12.480 -3.973 1.00 0.31 H new ATOM 0 HE2 PHE A 454 -2.337 9.773 -1.582 1.00 0.25 H new ATOM 0 HZ PHE A 454 -3.117 12.057 -2.051 1.00 0.29 H new ATOM 1800 N GLY A 455 -7.573 7.800 -6.480 1.00 0.09 N ATOM 1801 CA GLY A 455 -8.665 8.430 -7.155 1.00 0.11 C ATOM 1802 C GLY A 455 -9.998 8.195 -6.446 1.00 0.10 C ATOM 1803 O GLY A 455 -10.902 9.023 -6.540 1.00 0.13 O ATOM 0 H GLY A 455 -7.196 6.990 -6.972 1.00 0.09 H new ATOM 0 HA2 GLY A 455 -8.477 9.501 -7.224 1.00 0.11 H new ATOM 0 HA3 GLY A 455 -8.727 8.050 -8.175 1.00 0.11 H new ATOM 1807 N MET A 456 -10.132 7.045 -5.766 1.00 0.08 N ATOM 1808 CA MET A 456 -11.283 6.779 -4.899 1.00 0.09 C ATOM 1809 C MET A 456 -11.035 7.265 -3.483 1.00 0.10 C ATOM 1810 O MET A 456 -11.865 7.943 -2.875 1.00 0.13 O ATOM 1811 CB MET A 456 -11.585 5.278 -4.826 1.00 0.08 C ATOM 1812 CG MET A 456 -10.426 4.378 -5.097 1.00 0.06 C ATOM 1813 SD MET A 456 -10.903 2.721 -5.580 1.00 0.06 S ATOM 1814 CE MET A 456 -11.553 3.050 -7.192 1.00 0.07 C ATOM 0 H MET A 456 -9.453 6.285 -5.803 1.00 0.08 H new ATOM 0 HA MET A 456 -12.126 7.314 -5.335 1.00 0.09 H new ATOM 0 HB2 MET A 456 -11.975 5.051 -3.834 1.00 0.08 H new ATOM 0 HB3 MET A 456 -12.376 5.049 -5.540 1.00 0.08 H new ATOM 0 HG2 MET A 456 -9.814 4.815 -5.886 1.00 0.06 H new ATOM 0 HG3 MET A 456 -9.803 4.322 -4.204 1.00 0.06 H new ATOM 0 HE1 MET A 456 -11.850 2.113 -7.663 1.00 0.07 H new ATOM 0 HE2 MET A 456 -12.421 3.704 -7.108 1.00 0.07 H new ATOM 0 HE3 MET A 456 -10.790 3.536 -7.800 1.00 0.07 H new ATOM 1824 N VAL A 457 -9.878 6.896 -2.974 1.00 0.08 N ATOM 1825 CA VAL A 457 -9.567 7.018 -1.568 1.00 0.10 C ATOM 1826 C VAL A 457 -8.667 8.166 -1.239 1.00 0.17 C ATOM 1827 O VAL A 457 -7.676 8.460 -1.902 1.00 0.23 O ATOM 1828 CB VAL A 457 -8.978 5.710 -1.017 1.00 0.06 C ATOM 1829 CG1 VAL A 457 -8.061 5.071 -2.032 1.00 0.06 C ATOM 1830 CG2 VAL A 457 -8.262 5.925 0.308 1.00 0.10 C ATOM 0 H VAL A 457 -9.121 6.500 -3.531 1.00 0.08 H new ATOM 0 HA VAL A 457 -10.519 7.226 -1.080 1.00 0.10 H new ATOM 0 HB VAL A 457 -9.808 5.030 -0.826 1.00 0.06 H new ATOM 0 HG11 VAL A 457 -7.654 4.146 -1.623 1.00 0.06 H new ATOM 0 HG12 VAL A 457 -8.621 4.850 -2.941 1.00 0.06 H new ATOM 0 HG13 VAL A 457 -7.245 5.754 -2.266 1.00 0.06 H new ATOM 0 HG21 VAL A 457 -7.860 4.976 0.663 1.00 0.10 H new ATOM 0 HG22 VAL A 457 -7.447 6.635 0.170 1.00 0.10 H new ATOM 0 HG23 VAL A 457 -8.965 6.318 1.042 1.00 0.10 H new ATOM 1840 N GLU A 458 -9.068 8.771 -0.164 1.00 0.18 N ATOM 1841 CA GLU A 458 -8.450 9.886 0.422 1.00 0.26 C ATOM 1842 C GLU A 458 -8.435 9.646 1.893 1.00 0.15 C ATOM 1843 O GLU A 458 -8.856 8.573 2.336 1.00 0.08 O ATOM 1844 CB GLU A 458 -9.230 11.128 0.082 1.00 0.42 C ATOM 1845 CG GLU A 458 -10.704 10.930 0.247 1.00 0.46 C ATOM 1846 CD GLU A 458 -11.508 12.164 -0.087 1.00 0.66 C ATOM 1847 OE1 GLU A 458 -11.571 12.530 -1.279 1.00 0.82 O1- ATOM 1848 OE2 GLU A 458 -12.072 12.783 0.837 1.00 0.83 O ATOM 0 H GLU A 458 -9.894 8.466 0.351 1.00 0.18 H new ATOM 0 HA GLU A 458 -7.434 10.026 0.054 1.00 0.26 H new ATOM 0 HB2 GLU A 458 -8.901 11.948 0.720 1.00 0.42 H new ATOM 0 HB3 GLU A 458 -9.017 11.419 -0.946 1.00 0.42 H new ATOM 0 HG2 GLU A 458 -11.028 10.108 -0.392 1.00 0.46 H new ATOM 0 HG3 GLU A 458 -10.912 10.635 1.276 1.00 0.46 H new ATOM 1855 N LYS A 459 -7.932 10.583 2.657 1.00 0.19 N ATOM 1856 CA LYS A 459 -7.978 10.441 4.061 1.00 0.13 C ATOM 1857 C LYS A 459 -9.348 10.125 4.559 1.00 0.14 C ATOM 1858 O LYS A 459 -10.370 10.346 3.899 1.00 0.21 O ATOM 1859 CB LYS A 459 -7.451 11.648 4.751 1.00 0.14 C ATOM 1860 CG LYS A 459 -5.983 11.688 4.745 1.00 0.15 C ATOM 1861 CD LYS A 459 -5.548 12.919 5.409 1.00 0.15 C ATOM 1862 CE LYS A 459 -5.595 14.042 4.439 1.00 0.20 C ATOM 1863 NZ LYS A 459 -4.993 15.296 4.964 1.00 0.24 N1+ ATOM 0 H LYS A 459 -7.493 11.439 2.319 1.00 0.19 H new ATOM 0 HA LYS A 459 -7.335 9.594 4.299 1.00 0.13 H new ATOM 0 HB2 LYS A 459 -7.840 12.543 4.265 1.00 0.14 H new ATOM 0 HB3 LYS A 459 -7.810 11.663 5.780 1.00 0.14 H new ATOM 0 HG2 LYS A 459 -5.578 10.817 5.260 1.00 0.15 H new ATOM 0 HG3 LYS A 459 -5.608 11.657 3.722 1.00 0.15 H new ATOM 0 HD2 LYS A 459 -6.192 13.133 6.262 1.00 0.15 H new ATOM 0 HD3 LYS A 459 -4.536 12.799 5.796 1.00 0.15 H new ATOM 0 HE2 LYS A 459 -5.072 13.749 3.529 1.00 0.20 H new ATOM 0 HE3 LYS A 459 -6.632 14.232 4.164 1.00 0.20 H new ATOM 0 HZ1 LYS A 459 -5.057 16.041 4.241 1.00 0.24 H new ATOM 0 HZ2 LYS A 459 -5.506 15.597 5.817 1.00 0.24 H new ATOM 0 HZ3 LYS A 459 -3.994 15.129 5.202 1.00 0.24 H new ATOM 1877 N GLY A 460 -9.341 9.622 5.749 1.00 0.13 N ATOM 1878 CA GLY A 460 -10.560 9.226 6.365 1.00 0.19 C ATOM 1879 C GLY A 460 -10.874 7.776 6.122 1.00 0.19 C ATOM 1880 O GLY A 460 -11.514 7.120 6.947 1.00 0.37 O ATOM 0 H GLY A 460 -8.504 9.476 6.313 1.00 0.13 H new ATOM 0 HA2 GLY A 460 -10.499 9.408 7.438 1.00 0.19 H new ATOM 0 HA3 GLY A 460 -11.375 9.841 5.983 1.00 0.19 H new ATOM 1884 N THR A 461 -10.403 7.274 4.992 1.00 0.12 N ATOM 1885 CA THR A 461 -10.647 5.919 4.594 1.00 0.10 C ATOM 1886 C THR A 461 -9.610 5.034 5.243 1.00 0.09 C ATOM 1887 O THR A 461 -8.457 5.425 5.391 1.00 0.12 O ATOM 1888 CB THR A 461 -10.562 5.807 3.058 1.00 0.11 C ATOM 1889 OG1 THR A 461 -11.720 6.402 2.455 1.00 0.15 O ATOM 1890 CG2 THR A 461 -10.401 4.358 2.584 1.00 0.08 C ATOM 0 H THR A 461 -9.839 7.807 4.330 1.00 0.12 H new ATOM 0 HA THR A 461 -11.643 5.606 4.909 1.00 0.10 H new ATOM 0 HB THR A 461 -9.669 6.347 2.744 1.00 0.11 H new ATOM 0 HG1 THR A 461 -11.656 6.327 1.480 1.00 0.15 H new ATOM 0 HG21 THR A 461 -10.346 4.335 1.496 1.00 0.08 H new ATOM 0 HG22 THR A 461 -9.486 3.938 3.002 1.00 0.08 H new ATOM 0 HG23 THR A 461 -11.256 3.769 2.917 1.00 0.08 H new ATOM 1898 N PRO A 462 -9.995 3.858 5.694 1.00 0.08 N ATOM 1899 CA PRO A 462 -9.056 2.922 6.190 1.00 0.10 C ATOM 1900 C PRO A 462 -8.336 2.220 5.083 1.00 0.09 C ATOM 1901 O PRO A 462 -8.659 2.361 3.911 1.00 0.10 O ATOM 1902 CB PRO A 462 -9.857 1.916 6.984 1.00 0.12 C ATOM 1903 CG PRO A 462 -11.259 2.313 6.834 1.00 0.09 C ATOM 1904 CD PRO A 462 -11.343 3.352 5.769 1.00 0.07 C ATOM 0 HA PRO A 462 -8.299 3.426 6.791 1.00 0.10 H new ATOM 0 HB2 PRO A 462 -9.695 0.905 6.610 1.00 0.12 H new ATOM 0 HB3 PRO A 462 -9.560 1.920 8.033 1.00 0.12 H new ATOM 0 HG2 PRO A 462 -11.871 1.450 6.571 1.00 0.09 H new ATOM 0 HG3 PRO A 462 -11.645 2.703 7.776 1.00 0.09 H new ATOM 0 HD2 PRO A 462 -11.667 2.929 4.818 1.00 0.07 H new ATOM 0 HD3 PRO A 462 -12.054 4.137 6.028 1.00 0.07 H new ATOM 1912 N VAL A 463 -7.381 1.450 5.465 1.00 0.09 N ATOM 1913 CA VAL A 463 -6.775 0.516 4.574 1.00 0.14 C ATOM 1914 C VAL A 463 -6.586 -0.774 5.325 1.00 0.12 C ATOM 1915 O VAL A 463 -6.649 -0.818 6.551 1.00 0.22 O ATOM 1916 CB VAL A 463 -5.434 0.987 3.958 1.00 0.27 C ATOM 1917 CG1 VAL A 463 -5.416 2.484 3.723 1.00 1.07 C ATOM 1918 CG2 VAL A 463 -4.255 0.568 4.774 1.00 1.09 C ATOM 0 H VAL A 463 -6.993 1.447 6.408 1.00 0.09 H new ATOM 0 HA VAL A 463 -7.441 0.396 3.720 1.00 0.14 H new ATOM 0 HB VAL A 463 -5.355 0.492 2.990 1.00 0.27 H new ATOM 0 HG11 VAL A 463 -4.458 2.773 3.290 1.00 1.07 H new ATOM 0 HG12 VAL A 463 -6.220 2.755 3.038 1.00 1.07 H new ATOM 0 HG13 VAL A 463 -5.557 3.003 4.671 1.00 1.07 H new ATOM 0 HG21 VAL A 463 -3.340 0.922 4.300 1.00 1.09 H new ATOM 0 HG22 VAL A 463 -4.334 0.995 5.774 1.00 1.09 H new ATOM 0 HG23 VAL A 463 -4.229 -0.519 4.845 1.00 1.09 H new ATOM 1928 N LEU A 464 -6.443 -1.818 4.590 1.00 0.07 N ATOM 1929 CA LEU A 464 -6.264 -3.113 5.157 1.00 0.06 C ATOM 1930 C LEU A 464 -5.099 -3.785 4.532 1.00 0.06 C ATOM 1931 O LEU A 464 -4.788 -3.543 3.384 1.00 0.06 O ATOM 1932 CB LEU A 464 -7.489 -3.906 4.847 1.00 0.06 C ATOM 1933 CG LEU A 464 -8.112 -4.632 6.003 1.00 0.08 C ATOM 1934 CD1 LEU A 464 -8.409 -3.661 7.132 1.00 0.12 C ATOM 1935 CD2 LEU A 464 -9.363 -5.298 5.506 1.00 0.13 C ATOM 0 H LEU A 464 -6.446 -1.801 3.570 1.00 0.07 H new ATOM 0 HA LEU A 464 -6.095 -3.034 6.231 1.00 0.06 H new ATOM 0 HB2 LEU A 464 -8.234 -3.234 4.421 1.00 0.06 H new ATOM 0 HB3 LEU A 464 -7.240 -4.636 4.077 1.00 0.06 H new ATOM 0 HG LEU A 464 -7.432 -5.386 6.400 1.00 0.08 H new ATOM 0 HD11 LEU A 464 -8.861 -4.199 7.965 1.00 0.12 H new ATOM 0 HD12 LEU A 464 -7.482 -3.193 7.462 1.00 0.12 H new ATOM 0 HD13 LEU A 464 -9.098 -2.893 6.780 1.00 0.12 H new ATOM 0 HD21 LEU A 464 -9.840 -5.835 6.326 1.00 0.13 H new ATOM 0 HD22 LEU A 464 -10.048 -4.543 5.120 1.00 0.13 H new ATOM 0 HD23 LEU A 464 -9.110 -5.999 4.711 1.00 0.13 H new ATOM 1947 N VAL A 465 -4.427 -4.560 5.325 1.00 0.06 N ATOM 1948 CA VAL A 465 -3.471 -5.504 4.847 1.00 0.06 C ATOM 1949 C VAL A 465 -3.572 -6.734 5.729 1.00 0.08 C ATOM 1950 O VAL A 465 -3.898 -6.607 6.912 1.00 0.09 O ATOM 1951 CB VAL A 465 -2.029 -4.950 4.815 1.00 0.06 C ATOM 1952 CG1 VAL A 465 -1.971 -3.457 4.492 1.00 0.07 C ATOM 1953 CG2 VAL A 465 -1.300 -5.253 6.066 1.00 0.07 C ATOM 0 H VAL A 465 -4.531 -4.553 6.340 1.00 0.06 H new ATOM 0 HA VAL A 465 -3.698 -5.747 3.809 1.00 0.06 H new ATOM 0 HB VAL A 465 -1.526 -5.466 3.997 1.00 0.06 H new ATOM 0 HG11 VAL A 465 -0.932 -3.127 4.484 1.00 0.07 H new ATOM 0 HG12 VAL A 465 -2.416 -3.279 3.513 1.00 0.07 H new ATOM 0 HG13 VAL A 465 -2.523 -2.899 5.248 1.00 0.07 H new ATOM 0 HG21 VAL A 465 -0.290 -4.848 6.006 1.00 0.07 H new ATOM 0 HG22 VAL A 465 -1.822 -4.802 6.910 1.00 0.07 H new ATOM 0 HG23 VAL A 465 -1.250 -6.333 6.205 1.00 0.07 H new ATOM 1963 N PHE A 466 -3.343 -7.908 5.160 1.00 0.11 N ATOM 1964 CA PHE A 466 -3.469 -9.154 5.903 1.00 0.14 C ATOM 1965 C PHE A 466 -2.894 -10.332 5.120 1.00 0.19 C ATOM 1966 O PHE A 466 -2.937 -10.297 3.874 1.00 1.16 O ATOM 1967 CB PHE A 466 -4.931 -9.401 6.262 1.00 0.13 C ATOM 1968 CG PHE A 466 -5.866 -9.324 5.091 1.00 0.12 C ATOM 1969 CD1 PHE A 466 -5.962 -10.361 4.176 1.00 0.14 C ATOM 1970 CD2 PHE A 466 -6.647 -8.203 4.905 1.00 0.14 C ATOM 1971 CE1 PHE A 466 -6.820 -10.273 3.099 1.00 0.18 C ATOM 1972 CE2 PHE A 466 -7.505 -8.118 3.839 1.00 0.17 C ATOM 1973 CZ PHE A 466 -7.595 -9.148 2.934 1.00 0.19 C ATOM 1974 OXT PHE A 466 -2.352 -11.263 5.752 1.00 1.08 O ATOM 0 H PHE A 466 -3.068 -8.025 4.185 1.00 0.11 H new ATOM 0 HA PHE A 466 -2.891 -9.063 6.823 1.00 0.14 H new ATOM 0 HB2 PHE A 466 -5.021 -10.385 6.722 1.00 0.13 H new ATOM 0 HB3 PHE A 466 -5.240 -8.670 7.010 1.00 0.13 H new ATOM 0 HD1 PHE A 466 -5.359 -11.247 4.308 1.00 0.14 H new ATOM 0 HD2 PHE A 466 -6.582 -7.384 5.606 1.00 0.14 H new ATOM 0 HE1 PHE A 466 -6.883 -11.084 2.388 1.00 0.18 H new ATOM 0 HE2 PHE A 466 -8.114 -7.236 3.710 1.00 0.17 H new ATOM 0 HZ PHE A 466 -8.272 -9.075 2.096 1.00 0.19 H new TER 1984 PHE A 466