USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 817 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 -98:sc= -2.99! (180deg=-4.57!) USER MOD Set 1.2: A 450 MET CE :methyl -167:sc= -5.19! (180deg=-6.39!) USER MOD Set 2.1: A 421 HIS : no HE2:sc= -3.79! C(o=-7.7!,f=-7.2!) USER MOD Set 2.2: A 442 CYS SG : rot -170:sc= -1.29 USER MOD Set 2.3: A 444 ASN : amide:sc= -2.62 K(o=-7.7,f=-4.2) USER MOD Set 3.1: A 356 TYR OH : rot -30:sc= -0.722 USER MOD Set 3.2: A 358 LYS NZ :NH3+ -178:sc= 1.26 (180deg=0.0474) USER MOD Single : A 343 THR OG1 : rot -5:sc= 1.05 USER MOD Single : A 344 TYR OH : rot -179:sc= 0.562 USER MOD Single : A 351 ASN : amide:sc= -2.14! K(o=-2.1!,f=-1.5) USER MOD Single : A 352 GLN : amide:sc= -3.99! C(o=-4!,f=-2.5!) USER MOD Single : A 353 HIS : no HE2:sc= -5.71! C(o=-5.7!,f=-6!) USER MOD Single : A 354 MET CE :methyl -126:sc= -5.13! (180deg=-6.3!) USER MOD Single : A 357 TYR OH : rot 38:sc= 0.222 USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 41:sc= -5.39! USER MOD Single : A 370 SER OG : rot 140:sc= -0.564 USER MOD Single : A 372 LYS NZ :NH3+ 155:sc= 0.281 (180deg=0.102) USER MOD Single : A 374 THR OG1 : rot -150:sc= -2.68! USER MOD Single : A 375 THR OG1 : rot 180:sc= 0 USER MOD Single : A 377 THR OG1 : rot 69:sc= 1.22 USER MOD Single : A 383 TYR OH : rot -90:sc= 0.989 USER MOD Single : A 386 ASN : amide:sc= -2.41! C(o=-2.4!,f=-1.8!) USER MOD Single : A 387 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 392 THR OG1 : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 405 SER OG : rot 180:sc=-0.000845 USER MOD Single : A 408 ASN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 409 TYR OH : rot 180:sc= 0 USER MOD Single : A 423 SER OG : rot 180:sc= 0 USER MOD Single : A 429 TYR OH : rot -133:sc= -4.16! USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot 180:sc= -1.57 USER MOD Single : A 439 SER OG : rot 180:sc= 0 USER MOD Single : A 440 HIS : no HD1:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 445 THR OG1 : rot -135:sc= 0.871 USER MOD Single : A 448 SER OG : rot 180:sc= 0 USER MOD Single : A 451 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 MET CE :methyl -107:sc= -20.6! (180deg=-29.1!) USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 THR OG1 : rot -20:sc= -0.416 USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 342 18.192 0.618 6.233 1.00 0.24 N ATOM 61 CA ASP A 342 17.457 1.613 5.485 1.00 0.20 C ATOM 62 C ASP A 342 16.987 1.012 4.182 1.00 0.17 C ATOM 63 O ASP A 342 17.601 1.193 3.130 1.00 0.19 O ATOM 64 CB ASP A 342 18.291 2.865 5.193 1.00 0.22 C ATOM 65 CG ASP A 342 18.905 3.484 6.435 1.00 0.31 C ATOM 66 OD1 ASP A 342 18.231 4.303 7.097 1.00 0.39 O ATOM 67 OD2 ASP A 342 20.062 3.143 6.765 1.00 0.43 O1- ATOM 0 HA ASP A 342 16.610 1.921 6.098 1.00 0.20 H new ATOM 0 HB2 ASP A 342 19.086 2.608 4.493 1.00 0.22 H new ATOM 0 HB3 ASP A 342 17.661 3.606 4.701 1.00 0.22 H new ATOM 72 N THR A 343 15.880 0.308 4.279 1.00 0.13 N ATOM 73 CA THR A 343 15.123 -0.149 3.140 1.00 0.10 C ATOM 74 C THR A 343 13.709 -0.446 3.583 1.00 0.08 C ATOM 75 O THR A 343 13.513 -1.083 4.620 1.00 0.10 O ATOM 76 CB THR A 343 15.687 -1.413 2.481 1.00 0.11 C ATOM 77 OG1 THR A 343 17.014 -1.176 1.988 1.00 0.14 O ATOM 78 CG2 THR A 343 14.760 -1.811 1.346 1.00 0.08 C ATOM 0 H THR A 343 15.474 0.033 5.173 1.00 0.13 H new ATOM 0 HA THR A 343 15.171 0.649 2.399 1.00 0.10 H new ATOM 0 HB THR A 343 15.747 -2.219 3.213 1.00 0.11 H new ATOM 0 HG1 THR A 343 17.242 -0.230 2.105 1.00 0.14 H new ATOM 0 HG21 THR A 343 15.142 -2.710 0.862 1.00 0.08 H new ATOM 0 HG22 THR A 343 13.764 -2.008 1.742 1.00 0.08 H new ATOM 0 HG23 THR A 343 14.707 -1.001 0.618 1.00 0.08 H new ATOM 86 N TYR A 344 12.735 -0.005 2.807 1.00 0.07 N ATOM 87 CA TYR A 344 11.343 -0.169 3.184 1.00 0.06 C ATOM 88 C TYR A 344 10.428 0.523 2.213 1.00 0.06 C ATOM 89 O TYR A 344 10.838 1.409 1.497 1.00 0.06 O ATOM 90 CB TYR A 344 11.110 0.443 4.550 1.00 0.08 C ATOM 91 CG TYR A 344 11.523 1.896 4.646 1.00 0.09 C ATOM 92 CD1 TYR A 344 12.834 2.224 4.943 1.00 0.12 C ATOM 93 CD2 TYR A 344 10.618 2.929 4.450 1.00 0.09 C ATOM 94 CE1 TYR A 344 13.238 3.539 5.046 1.00 0.13 C ATOM 95 CE2 TYR A 344 11.011 4.244 4.550 1.00 0.11 C ATOM 96 CZ TYR A 344 12.318 4.547 4.851 1.00 0.13 C ATOM 97 OH TYR A 344 12.706 5.863 4.941 1.00 0.15 O ATOM 0 H TYR A 344 12.882 0.468 1.915 1.00 0.07 H new ATOM 0 HA TYR A 344 11.128 -1.238 3.188 1.00 0.06 H new ATOM 0 HB2 TYR A 344 10.053 0.358 4.800 1.00 0.08 H new ATOM 0 HB3 TYR A 344 11.661 -0.132 5.294 1.00 0.08 H new ATOM 0 HD1 TYR A 344 13.555 1.435 5.097 1.00 0.12 H new ATOM 0 HD2 TYR A 344 9.589 2.698 4.215 1.00 0.09 H new ATOM 0 HE1 TYR A 344 14.266 3.777 5.277 1.00 0.13 H new ATOM 0 HE2 TYR A 344 10.294 5.036 4.392 1.00 0.11 H new ATOM 0 HH TYR A 344 11.931 6.444 4.791 1.00 0.15 H new ATOM 107 N ILE A 345 9.187 0.097 2.175 1.00 0.06 N ATOM 108 CA ILE A 345 8.162 0.883 1.547 1.00 0.06 C ATOM 109 C ILE A 345 7.763 1.990 2.466 1.00 0.07 C ATOM 110 O ILE A 345 7.834 1.850 3.681 1.00 0.08 O ATOM 111 CB ILE A 345 6.887 0.103 1.220 1.00 0.06 C ATOM 112 CG1 ILE A 345 7.169 -1.381 1.193 1.00 0.07 C ATOM 113 CG2 ILE A 345 6.377 0.538 -0.129 1.00 0.06 C ATOM 114 CD1 ILE A 345 8.225 -1.716 0.227 1.00 0.05 C ATOM 0 H ILE A 345 8.868 -0.787 2.571 1.00 0.06 H new ATOM 0 HA ILE A 345 8.594 1.235 0.610 1.00 0.06 H new ATOM 0 HB ILE A 345 6.140 0.304 1.987 1.00 0.06 H new ATOM 0 HG12 ILE A 345 7.467 -1.713 2.188 1.00 0.07 H new ATOM 0 HG13 ILE A 345 6.257 -1.920 0.937 1.00 0.07 H new ATOM 0 HG21 ILE A 345 5.468 -0.014 -0.370 1.00 0.06 H new ATOM 0 HG22 ILE A 345 6.159 1.606 -0.109 1.00 0.06 H new ATOM 0 HG23 ILE A 345 7.135 0.337 -0.887 1.00 0.06 H new ATOM 0 HD11 ILE A 345 8.399 -2.792 0.237 1.00 0.05 H new ATOM 0 HD12 ILE A 345 7.916 -1.408 -0.772 1.00 0.05 H new ATOM 0 HD13 ILE A 345 9.144 -1.197 0.499 1.00 0.05 H new ATOM 126 N GLU A 346 7.317 3.063 1.890 1.00 0.09 N ATOM 127 CA GLU A 346 6.967 4.230 2.653 1.00 0.12 C ATOM 128 C GLU A 346 5.858 4.979 1.952 1.00 0.17 C ATOM 129 O GLU A 346 5.800 4.996 0.744 1.00 0.21 O ATOM 130 CB GLU A 346 8.193 5.116 2.768 1.00 0.15 C ATOM 131 CG GLU A 346 7.946 6.313 3.646 1.00 0.13 C ATOM 132 CD GLU A 346 9.089 7.311 3.705 1.00 1.24 C ATOM 133 OE1 GLU A 346 10.076 7.058 4.426 1.00 2.01 O1- ATOM 134 OE2 GLU A 346 9.024 8.342 2.996 1.00 1.53 O ATOM 0 H GLU A 346 7.184 3.159 0.883 1.00 0.09 H new ATOM 0 HA GLU A 346 6.624 3.940 3.646 1.00 0.12 H new ATOM 0 HB2 GLU A 346 9.023 4.536 3.172 1.00 0.15 H new ATOM 0 HB3 GLU A 346 8.492 5.451 1.775 1.00 0.15 H new ATOM 0 HG2 GLU A 346 7.053 6.827 3.291 1.00 0.13 H new ATOM 0 HG3 GLU A 346 7.734 5.966 4.657 1.00 0.13 H new ATOM 141 N VAL A 347 4.937 5.537 2.704 1.00 0.17 N ATOM 142 CA VAL A 347 3.878 6.312 2.116 1.00 0.17 C ATOM 143 C VAL A 347 3.651 7.591 2.886 1.00 0.20 C ATOM 144 O VAL A 347 4.092 7.732 4.015 1.00 0.45 O ATOM 145 CB VAL A 347 2.546 5.553 2.061 1.00 0.15 C ATOM 146 CG1 VAL A 347 1.645 6.208 1.044 1.00 0.14 C ATOM 147 CG2 VAL A 347 2.744 4.083 1.738 1.00 0.15 C ATOM 0 H VAL A 347 4.903 5.467 3.721 1.00 0.17 H new ATOM 0 HA VAL A 347 4.203 6.527 1.098 1.00 0.17 H new ATOM 0 HB VAL A 347 2.082 5.599 3.046 1.00 0.15 H new ATOM 0 HG11 VAL A 347 0.696 5.673 1.000 1.00 0.14 H new ATOM 0 HG12 VAL A 347 1.464 7.244 1.331 1.00 0.14 H new ATOM 0 HG13 VAL A 347 2.122 6.181 0.064 1.00 0.14 H new ATOM 0 HG21 VAL A 347 1.776 3.583 1.709 1.00 0.15 H new ATOM 0 HG22 VAL A 347 3.232 3.986 0.768 1.00 0.15 H new ATOM 0 HG23 VAL A 347 3.367 3.623 2.505 1.00 0.15 H new ATOM 157 N ASP A 348 2.991 8.516 2.232 1.00 0.10 N ATOM 158 CA ASP A 348 2.552 9.753 2.816 1.00 0.09 C ATOM 159 C ASP A 348 1.167 10.038 2.271 1.00 0.08 C ATOM 160 O ASP A 348 0.998 10.389 1.119 1.00 0.10 O ATOM 161 CB ASP A 348 3.521 10.872 2.417 1.00 0.12 C ATOM 162 CG ASP A 348 3.319 12.137 3.211 1.00 0.16 C ATOM 163 OD1 ASP A 348 2.158 12.476 3.520 1.00 0.16 O1- ATOM 164 OD2 ASP A 348 4.327 12.813 3.518 1.00 0.24 O ATOM 0 H ASP A 348 2.739 8.422 1.248 1.00 0.10 H new ATOM 0 HA ASP A 348 2.527 9.693 3.904 1.00 0.09 H new ATOM 0 HB2 ASP A 348 4.545 10.524 2.553 1.00 0.12 H new ATOM 0 HB3 ASP A 348 3.397 11.091 1.357 1.00 0.12 H new ATOM 169 N LEU A 349 0.191 9.835 3.124 1.00 0.08 N ATOM 170 CA LEU A 349 -1.225 9.802 2.752 1.00 0.09 C ATOM 171 C LEU A 349 -1.757 11.180 2.640 1.00 0.12 C ATOM 172 O LEU A 349 -2.652 11.482 1.871 1.00 0.16 O ATOM 173 CB LEU A 349 -2.010 9.097 3.836 1.00 0.10 C ATOM 174 CG LEU A 349 -1.405 7.795 4.271 1.00 0.08 C ATOM 175 CD1 LEU A 349 -0.747 7.127 3.096 1.00 0.07 C ATOM 176 CD2 LEU A 349 -0.410 8.061 5.358 1.00 0.08 C ATOM 0 H LEU A 349 0.351 9.684 4.120 1.00 0.08 H new ATOM 0 HA LEU A 349 -1.320 9.283 1.798 1.00 0.09 H new ATOM 0 HB2 LEU A 349 -2.091 9.756 4.700 1.00 0.10 H new ATOM 0 HB3 LEU A 349 -3.023 8.915 3.478 1.00 0.10 H new ATOM 0 HG LEU A 349 -2.179 7.129 4.654 1.00 0.08 H new ATOM 0 HD11 LEU A 349 -0.308 6.181 3.414 1.00 0.07 H new ATOM 0 HD12 LEU A 349 -1.490 6.940 2.321 1.00 0.07 H new ATOM 0 HD13 LEU A 349 0.035 7.775 2.700 1.00 0.07 H new ATOM 0 HD21 LEU A 349 0.036 7.120 5.681 1.00 0.08 H new ATOM 0 HD22 LEU A 349 0.371 8.722 4.983 1.00 0.08 H new ATOM 0 HD23 LEU A 349 -0.911 8.534 6.202 1.00 0.08 H new ATOM 188 N GLU A 350 -1.202 11.964 3.529 1.00 0.13 N ATOM 189 CA GLU A 350 -1.447 13.381 3.643 1.00 0.15 C ATOM 190 C GLU A 350 -1.159 14.007 2.323 1.00 0.14 C ATOM 191 O GLU A 350 -1.857 14.883 1.828 1.00 0.17 O ATOM 192 CB GLU A 350 -0.475 13.926 4.649 1.00 0.18 C ATOM 193 CG GLU A 350 -0.282 13.020 5.798 1.00 0.19 C ATOM 194 CD GLU A 350 -0.361 13.710 7.140 1.00 0.28 C ATOM 195 OE1 GLU A 350 0.312 14.746 7.313 1.00 0.57 O ATOM 196 OE2 GLU A 350 -1.092 13.224 8.029 1.00 0.60 O1- ATOM 0 H GLU A 350 -0.539 11.619 4.223 1.00 0.13 H new ATOM 0 HA GLU A 350 -2.475 13.583 3.943 1.00 0.15 H new ATOM 0 HB2 GLU A 350 0.485 14.101 4.164 1.00 0.18 H new ATOM 0 HB3 GLU A 350 -0.832 14.891 5.008 1.00 0.18 H new ATOM 0 HG2 GLU A 350 -1.036 12.234 5.759 1.00 0.19 H new ATOM 0 HG3 GLU A 350 0.690 12.534 5.706 1.00 0.19 H new ATOM 203 N ASN A 351 -0.038 13.550 1.823 1.00 0.12 N ATOM 204 CA ASN A 351 0.546 14.057 0.591 1.00 0.11 C ATOM 205 C ASN A 351 0.247 13.134 -0.567 1.00 0.09 C ATOM 206 O ASN A 351 0.723 13.326 -1.687 1.00 0.10 O ATOM 207 CB ASN A 351 2.050 14.212 0.783 1.00 0.13 C ATOM 208 CG ASN A 351 2.346 15.308 1.766 1.00 0.17 C ATOM 209 OD1 ASN A 351 2.640 16.446 1.394 1.00 0.20 O ATOM 210 ND2 ASN A 351 2.237 14.979 3.031 1.00 0.18 N ATOM 0 H ASN A 351 0.507 12.807 2.260 1.00 0.12 H new ATOM 0 HA ASN A 351 0.108 15.027 0.358 1.00 0.11 H new ATOM 0 HB2 ASN A 351 2.476 13.273 1.137 1.00 0.13 H new ATOM 0 HB3 ASN A 351 2.523 14.436 -0.173 1.00 0.13 H new ATOM 0 HD21 ASN A 351 2.398 15.679 3.756 1.00 0.18 H new ATOM 0 HD22 ASN A 351 1.991 14.024 3.290 1.00 0.18 H new ATOM 217 N GLN A 352 -0.573 12.136 -0.234 1.00 0.08 N ATOM 218 CA GLN A 352 -0.951 11.031 -1.111 1.00 0.08 C ATOM 219 C GLN A 352 0.171 10.599 -2.037 1.00 0.07 C ATOM 220 O GLN A 352 0.030 10.608 -3.258 1.00 0.08 O ATOM 221 CB GLN A 352 -2.208 11.318 -1.918 1.00 0.12 C ATOM 222 CG GLN A 352 -3.458 11.500 -1.080 1.00 0.21 C ATOM 223 CD GLN A 352 -3.650 12.919 -0.564 1.00 1.28 C ATOM 224 OE1 GLN A 352 -4.289 13.132 0.467 1.00 2.15 O ATOM 225 NE2 GLN A 352 -3.097 13.899 -1.261 1.00 1.89 N ATOM 0 H GLN A 352 -1.007 12.074 0.687 1.00 0.08 H new ATOM 0 HA GLN A 352 -1.166 10.204 -0.435 1.00 0.08 H new ATOM 0 HB2 GLN A 352 -2.048 12.219 -2.511 1.00 0.12 H new ATOM 0 HB3 GLN A 352 -2.371 10.499 -2.619 1.00 0.12 H new ATOM 0 HG2 GLN A 352 -4.327 11.219 -1.675 1.00 0.21 H new ATOM 0 HG3 GLN A 352 -3.418 10.817 -0.231 1.00 0.21 H new ATOM 0 HE21 GLN A 352 -2.574 13.688 -2.111 1.00 1.89 H new ATOM 0 HE22 GLN A 352 -3.194 14.865 -0.948 1.00 1.89 H new ATOM 234 N HIS A 353 1.258 10.160 -1.448 1.00 0.05 N ATOM 235 CA HIS A 353 2.405 9.720 -2.211 1.00 0.05 C ATOM 236 C HIS A 353 3.029 8.513 -1.550 1.00 0.06 C ATOM 237 O HIS A 353 3.184 8.469 -0.345 1.00 0.07 O ATOM 238 CB HIS A 353 3.420 10.852 -2.327 1.00 0.06 C ATOM 239 CG HIS A 353 4.477 10.582 -3.342 1.00 0.06 C ATOM 240 ND1 HIS A 353 4.425 11.006 -4.656 1.00 0.09 N ATOM 241 CD2 HIS A 353 5.593 9.860 -3.231 1.00 0.06 C ATOM 242 CE1 HIS A 353 5.480 10.528 -5.303 1.00 0.09 C ATOM 243 NE2 HIS A 353 6.204 9.837 -4.449 1.00 0.07 N ATOM 0 H HIS A 353 1.374 10.097 -0.437 1.00 0.05 H new ATOM 0 HA HIS A 353 2.083 9.440 -3.214 1.00 0.05 H new ATOM 0 HB2 HIS A 353 2.900 11.774 -2.588 1.00 0.06 H new ATOM 0 HB3 HIS A 353 3.889 11.014 -1.356 1.00 0.06 H new ATOM 0 HD1 HIS A 353 3.695 11.591 -5.062 1.00 0.09 H new ATOM 0 HD2 HIS A 353 5.950 9.378 -2.333 1.00 0.06 H new ATOM 0 HE1 HIS A 353 5.705 10.680 -6.348 1.00 0.09 H new ATOM 252 N MET A 354 3.352 7.524 -2.352 1.00 0.05 N ATOM 253 CA MET A 354 3.942 6.312 -1.865 1.00 0.06 C ATOM 254 C MET A 354 5.373 6.181 -2.373 1.00 0.05 C ATOM 255 O MET A 354 5.731 6.743 -3.405 1.00 0.06 O ATOM 256 CB MET A 354 3.135 5.108 -2.295 1.00 0.07 C ATOM 257 CG MET A 354 3.462 3.862 -1.505 1.00 0.07 C ATOM 258 SD MET A 354 3.755 2.426 -2.542 1.00 0.06 S ATOM 259 CE MET A 354 4.979 3.091 -3.663 1.00 0.05 C ATOM 0 H MET A 354 3.210 7.544 -3.362 1.00 0.05 H new ATOM 0 HA MET A 354 3.949 6.354 -0.776 1.00 0.06 H new ATOM 0 HB2 MET A 354 2.074 5.332 -2.186 1.00 0.07 H new ATOM 0 HB3 MET A 354 3.314 4.917 -3.353 1.00 0.07 H new ATOM 0 HG2 MET A 354 4.346 4.048 -0.894 1.00 0.07 H new ATOM 0 HG3 MET A 354 2.641 3.647 -0.821 1.00 0.07 H new ATOM 0 HE1 MET A 354 4.649 2.943 -4.691 1.00 0.05 H new ATOM 0 HE2 MET A 354 5.106 4.157 -3.473 1.00 0.05 H new ATOM 0 HE3 MET A 354 5.929 2.579 -3.509 1.00 0.05 H new ATOM 269 N TRP A 355 6.160 5.418 -1.655 1.00 0.05 N ATOM 270 CA TRP A 355 7.572 5.242 -1.928 1.00 0.07 C ATOM 271 C TRP A 355 8.001 3.825 -1.677 1.00 0.07 C ATOM 272 O TRP A 355 7.393 3.115 -0.892 1.00 0.11 O ATOM 273 CB TRP A 355 8.434 6.088 -0.992 1.00 0.08 C ATOM 274 CG TRP A 355 8.348 7.541 -1.205 1.00 0.07 C ATOM 275 CD1 TRP A 355 9.082 8.285 -2.042 1.00 0.06 C ATOM 276 CD2 TRP A 355 7.488 8.417 -0.525 1.00 0.07 C ATOM 277 NE1 TRP A 355 8.713 9.597 -1.953 1.00 0.05 N ATOM 278 CE2 TRP A 355 7.721 9.703 -1.000 1.00 0.06 C ATOM 279 CE3 TRP A 355 6.534 8.220 0.440 1.00 0.08 C ATOM 280 CZ2 TRP A 355 7.002 10.794 -0.509 1.00 0.07 C ATOM 281 CZ3 TRP A 355 5.846 9.265 0.913 1.00 0.09 C ATOM 282 CH2 TRP A 355 6.070 10.547 0.448 1.00 0.09 C ATOM 0 H TRP A 355 5.833 4.889 -0.846 1.00 0.05 H new ATOM 0 HA TRP A 355 7.706 5.531 -2.970 1.00 0.07 H new ATOM 0 HB2 TRP A 355 8.147 5.870 0.037 1.00 0.08 H new ATOM 0 HB3 TRP A 355 9.474 5.781 -1.105 1.00 0.08 H new ATOM 0 HD1 TRP A 355 9.854 7.903 -2.693 1.00 0.06 H new ATOM 0 HE1 TRP A 355 9.104 10.366 -2.497 1.00 0.05 H new ATOM 0 HE3 TRP A 355 6.339 7.227 0.816 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 7.180 11.794 -0.875 1.00 0.07 H new ATOM 0 HZ3 TRP A 355 5.099 9.103 1.676 1.00 0.09 H new ATOM 0 HH2 TRP A 355 5.494 11.366 0.852 1.00 0.09 H new ATOM 293 N TYR A 356 9.057 3.432 -2.335 1.00 0.04 N ATOM 294 CA TYR A 356 9.919 2.413 -1.807 1.00 0.04 C ATOM 295 C TYR A 356 11.190 3.082 -1.441 1.00 0.04 C ATOM 296 O TYR A 356 11.578 4.058 -2.045 1.00 0.05 O ATOM 297 CB TYR A 356 10.249 1.360 -2.796 1.00 0.03 C ATOM 298 CG TYR A 356 11.146 0.273 -2.222 1.00 0.03 C ATOM 299 CD1 TYR A 356 10.617 -0.746 -1.468 1.00 0.05 C ATOM 300 CD2 TYR A 356 12.502 0.240 -2.478 1.00 0.05 C ATOM 301 CE1 TYR A 356 11.397 -1.766 -1.010 1.00 0.11 C ATOM 302 CE2 TYR A 356 13.300 -0.779 -2.003 1.00 0.10 C ATOM 303 CZ TYR A 356 12.733 -1.785 -1.278 1.00 0.05 C ATOM 304 OH TYR A 356 13.498 -2.839 -0.856 1.00 0.26 O ATOM 0 H TYR A 356 9.341 3.804 -3.241 1.00 0.04 H new ATOM 0 HA TYR A 356 9.410 1.935 -0.970 1.00 0.04 H new ATOM 0 HB2 TYR A 356 9.326 0.908 -3.161 1.00 0.03 H new ATOM 0 HB3 TYR A 356 10.742 1.816 -3.655 1.00 0.03 H new ATOM 0 HD1 TYR A 356 9.563 -0.739 -1.233 1.00 0.05 H new ATOM 0 HD2 TYR A 356 12.948 1.030 -3.064 1.00 0.05 H new ATOM 0 HE1 TYR A 356 10.954 -2.563 -0.432 1.00 0.11 H new ATOM 0 HE2 TYR A 356 14.361 -0.780 -2.203 1.00 0.10 H new ATOM 0 HH TYR A 356 13.117 -3.211 -0.034 1.00 0.26 H new ATOM 314 N TYR A 357 11.844 2.514 -0.513 1.00 0.05 N ATOM 315 CA TYR A 357 13.077 3.056 -0.015 1.00 0.06 C ATOM 316 C TYR A 357 14.143 2.008 -0.019 1.00 0.06 C ATOM 317 O TYR A 357 14.039 1.002 0.665 1.00 0.07 O ATOM 318 CB TYR A 357 12.935 3.608 1.393 1.00 0.07 C ATOM 319 CG TYR A 357 12.586 5.065 1.458 1.00 0.07 C ATOM 320 CD1 TYR A 357 11.282 5.501 1.269 1.00 0.08 C ATOM 321 CD2 TYR A 357 13.571 6.007 1.715 1.00 0.10 C ATOM 322 CE1 TYR A 357 10.966 6.844 1.334 1.00 0.10 C ATOM 323 CE2 TYR A 357 13.268 7.346 1.781 1.00 0.11 C ATOM 324 CZ TYR A 357 11.961 7.764 1.591 1.00 0.11 C ATOM 325 OH TYR A 357 11.640 9.100 1.663 1.00 0.14 O ATOM 0 H TYR A 357 11.552 1.649 -0.059 1.00 0.05 H new ATOM 0 HA TYR A 357 13.351 3.877 -0.678 1.00 0.06 H new ATOM 0 HB2 TYR A 357 12.166 3.040 1.917 1.00 0.07 H new ATOM 0 HB3 TYR A 357 13.871 3.447 1.929 1.00 0.07 H new ATOM 0 HD1 TYR A 357 10.503 4.780 1.068 1.00 0.08 H new ATOM 0 HD2 TYR A 357 14.590 5.684 1.865 1.00 0.10 H new ATOM 0 HE1 TYR A 357 9.948 7.171 1.185 1.00 0.10 H new ATOM 0 HE2 TYR A 357 14.045 8.069 1.980 1.00 0.11 H new ATOM 0 HH TYR A 357 10.769 9.204 2.101 1.00 0.14 H new ATOM 335 N LYS A 358 15.141 2.248 -0.812 1.00 0.07 N ATOM 336 CA LYS A 358 16.353 1.488 -0.762 1.00 0.09 C ATOM 337 C LYS A 358 17.427 2.458 -0.360 1.00 0.13 C ATOM 338 O LYS A 358 17.426 3.580 -0.801 1.00 0.25 O ATOM 339 CB LYS A 358 16.697 0.885 -2.109 1.00 0.11 C ATOM 340 CG LYS A 358 17.685 -0.231 -1.999 1.00 0.12 C ATOM 341 CD LYS A 358 17.020 -1.385 -1.365 1.00 0.09 C ATOM 342 CE LYS A 358 16.460 -2.267 -2.425 1.00 0.09 C ATOM 343 NZ LYS A 358 15.931 -3.544 -1.886 1.00 0.10 N1+ ATOM 0 H LYS A 358 15.138 2.983 -1.519 1.00 0.07 H new ATOM 0 HA LYS A 358 16.251 0.658 -0.063 1.00 0.09 H new ATOM 0 HB2 LYS A 358 15.787 0.515 -2.581 1.00 0.11 H new ATOM 0 HB3 LYS A 358 17.101 1.661 -2.759 1.00 0.11 H new ATOM 0 HG2 LYS A 358 18.059 -0.504 -2.986 1.00 0.12 H new ATOM 0 HG3 LYS A 358 18.546 0.082 -1.408 1.00 0.12 H new ATOM 0 HD2 LYS A 358 17.731 -1.939 -0.752 1.00 0.09 H new ATOM 0 HD3 LYS A 358 16.226 -1.043 -0.702 1.00 0.09 H new ATOM 0 HE2 LYS A 358 15.662 -1.739 -2.947 1.00 0.09 H new ATOM 0 HE3 LYS A 358 17.235 -2.481 -3.161 1.00 0.09 H new ATOM 0 HZ1 LYS A 358 15.584 -4.134 -2.669 1.00 0.10 H new ATOM 0 HZ2 LYS A 358 16.688 -4.048 -1.381 1.00 0.10 H new ATOM 0 HZ3 LYS A 358 15.149 -3.346 -1.229 1.00 0.10 H new ATOM 357 N ASP A 359 18.327 2.020 0.487 1.00 0.13 N ATOM 358 CA ASP A 359 19.523 2.787 0.817 1.00 0.16 C ATOM 359 C ASP A 359 19.229 4.054 1.583 1.00 0.16 C ATOM 360 O ASP A 359 20.072 4.948 1.665 1.00 0.28 O ATOM 361 CB ASP A 359 20.288 3.160 -0.432 1.00 0.19 C ATOM 362 CG ASP A 359 21.719 2.675 -0.411 1.00 0.28 C ATOM 363 OD1 ASP A 359 21.950 1.484 -0.703 1.00 0.43 O ATOM 364 OD2 ASP A 359 22.622 3.481 -0.114 1.00 0.39 O1- ATOM 0 H ASP A 359 18.259 1.125 0.971 1.00 0.13 H new ATOM 0 HA ASP A 359 20.117 2.132 1.454 1.00 0.16 H new ATOM 0 HB2 ASP A 359 19.781 2.742 -1.301 1.00 0.19 H new ATOM 0 HB3 ASP A 359 20.278 4.244 -0.548 1.00 0.19 H new ATOM 369 N GLY A 360 18.050 4.098 2.184 1.00 0.15 N ATOM 370 CA GLY A 360 17.587 5.310 2.834 1.00 0.15 C ATOM 371 C GLY A 360 17.133 6.358 1.878 1.00 0.14 C ATOM 372 O GLY A 360 16.809 7.480 2.260 1.00 0.18 O ATOM 0 H GLY A 360 17.401 3.313 2.234 1.00 0.15 H new ATOM 0 HA2 GLY A 360 16.766 5.062 3.506 1.00 0.15 H new ATOM 0 HA3 GLY A 360 18.391 5.714 3.449 1.00 0.15 H new ATOM 376 N LYS A 361 17.074 5.963 0.651 1.00 0.13 N ATOM 377 CA LYS A 361 16.640 6.802 -0.421 1.00 0.13 C ATOM 378 C LYS A 361 15.572 6.004 -1.122 1.00 0.09 C ATOM 379 O LYS A 361 15.268 4.902 -0.691 1.00 0.12 O ATOM 380 CB LYS A 361 17.842 7.053 -1.301 1.00 0.16 C ATOM 381 CG LYS A 361 18.271 5.823 -2.059 1.00 0.17 C ATOM 382 CD LYS A 361 19.259 6.126 -3.137 1.00 0.23 C ATOM 383 CE LYS A 361 18.638 7.020 -4.188 1.00 0.26 C ATOM 384 NZ LYS A 361 19.347 6.927 -5.492 1.00 0.37 N1+ ATOM 0 H LYS A 361 17.333 5.022 0.355 1.00 0.13 H new ATOM 0 HA LYS A 361 16.242 7.771 -0.118 1.00 0.13 H new ATOM 0 HB2 LYS A 361 17.610 7.849 -2.009 1.00 0.16 H new ATOM 0 HB3 LYS A 361 18.671 7.404 -0.686 1.00 0.16 H new ATOM 0 HG2 LYS A 361 18.707 5.106 -1.363 1.00 0.17 H new ATOM 0 HG3 LYS A 361 17.394 5.348 -2.499 1.00 0.17 H new ATOM 0 HD2 LYS A 361 20.136 6.612 -2.709 1.00 0.23 H new ATOM 0 HD3 LYS A 361 19.601 5.199 -3.596 1.00 0.23 H new ATOM 0 HE2 LYS A 361 17.592 6.746 -4.324 1.00 0.26 H new ATOM 0 HE3 LYS A 361 18.654 8.053 -3.840 1.00 0.26 H new ATOM 0 HZ1 LYS A 361 18.888 7.555 -6.182 1.00 0.37 H new ATOM 0 HZ2 LYS A 361 20.339 7.213 -5.369 1.00 0.37 H new ATOM 0 HZ3 LYS A 361 19.310 5.947 -5.838 1.00 0.37 H new ATOM 398 N VAL A 362 14.945 6.520 -2.142 1.00 0.09 N ATOM 399 CA VAL A 362 13.893 5.733 -2.727 1.00 0.07 C ATOM 400 C VAL A 362 14.205 5.082 -4.018 1.00 0.07 C ATOM 401 O VAL A 362 15.066 5.495 -4.797 1.00 0.10 O ATOM 402 CB VAL A 362 12.583 6.459 -2.874 1.00 0.07 C ATOM 403 CG1 VAL A 362 12.186 7.010 -1.557 1.00 0.07 C ATOM 404 CG2 VAL A 362 12.624 7.521 -3.899 1.00 0.09 C ATOM 0 H VAL A 362 15.127 7.429 -2.567 1.00 0.09 H new ATOM 0 HA VAL A 362 13.797 4.948 -1.977 1.00 0.07 H new ATOM 0 HB VAL A 362 11.839 5.741 -3.219 1.00 0.07 H new ATOM 0 HG11 VAL A 362 11.237 7.538 -1.654 1.00 0.07 H new ATOM 0 HG12 VAL A 362 12.076 6.196 -0.840 1.00 0.07 H new ATOM 0 HG13 VAL A 362 12.952 7.702 -1.206 1.00 0.07 H new ATOM 0 HG21 VAL A 362 11.650 8.008 -3.958 1.00 0.09 H new ATOM 0 HG22 VAL A 362 13.382 8.257 -3.630 1.00 0.09 H new ATOM 0 HG23 VAL A 362 12.870 7.084 -4.867 1.00 0.09 H new ATOM 414 N ALA A 363 13.415 4.055 -4.216 1.00 0.05 N ATOM 415 CA ALA A 363 13.474 3.233 -5.360 1.00 0.05 C ATOM 416 C ALA A 363 12.255 3.534 -6.155 1.00 0.05 C ATOM 417 O ALA A 363 12.192 3.373 -7.370 1.00 0.07 O ATOM 418 CB ALA A 363 13.467 1.783 -4.937 1.00 0.05 C ATOM 0 H ALA A 363 12.694 3.774 -3.551 1.00 0.05 H new ATOM 0 HA ALA A 363 14.378 3.415 -5.941 1.00 0.05 H new ATOM 0 HB1 ALA A 363 13.513 1.146 -5.820 1.00 0.05 H new ATOM 0 HB2 ALA A 363 14.331 1.585 -4.302 1.00 0.05 H new ATOM 0 HB3 ALA A 363 12.553 1.570 -4.383 1.00 0.05 H new ATOM 424 N LEU A 364 11.280 3.969 -5.394 1.00 0.04 N ATOM 425 CA LEU A 364 9.984 4.261 -5.888 1.00 0.04 C ATOM 426 C LEU A 364 9.473 5.542 -5.359 1.00 0.05 C ATOM 427 O LEU A 364 9.680 5.906 -4.204 1.00 0.06 O ATOM 428 CB LEU A 364 9.058 3.156 -5.480 1.00 0.04 C ATOM 429 CG LEU A 364 8.363 2.489 -6.616 1.00 0.05 C ATOM 430 CD1 LEU A 364 9.369 2.163 -7.674 1.00 0.05 C ATOM 431 CD2 LEU A 364 7.717 1.244 -6.126 1.00 0.05 C ATOM 0 H LEU A 364 11.383 4.129 -4.392 1.00 0.04 H new ATOM 0 HA LEU A 364 10.039 4.346 -6.973 1.00 0.04 H new ATOM 0 HB2 LEU A 364 9.625 2.408 -4.927 1.00 0.04 H new ATOM 0 HB3 LEU A 364 8.310 3.558 -4.797 1.00 0.04 H new ATOM 0 HG LEU A 364 7.601 3.147 -7.033 1.00 0.05 H new ATOM 0 HD11 LEU A 364 8.871 1.674 -8.511 1.00 0.05 H new ATOM 0 HD12 LEU A 364 9.844 3.081 -8.020 1.00 0.05 H new ATOM 0 HD13 LEU A 364 10.127 1.496 -7.263 1.00 0.05 H new ATOM 0 HD21 LEU A 364 7.206 0.750 -6.952 1.00 0.05 H new ATOM 0 HD22 LEU A 364 8.476 0.577 -5.718 1.00 0.05 H new ATOM 0 HD23 LEU A 364 6.994 1.491 -5.348 1.00 0.05 H new ATOM 443 N GLU A 365 8.777 6.189 -6.226 1.00 0.05 N ATOM 444 CA GLU A 365 8.112 7.388 -5.922 1.00 0.06 C ATOM 445 C GLU A 365 6.838 7.308 -6.665 1.00 0.05 C ATOM 446 O GLU A 365 6.838 7.231 -7.893 1.00 0.07 O ATOM 447 CB GLU A 365 8.955 8.533 -6.416 1.00 0.10 C ATOM 448 CG GLU A 365 9.210 9.608 -5.379 1.00 0.16 C ATOM 449 CD GLU A 365 10.393 10.486 -5.722 1.00 0.27 C ATOM 450 OE1 GLU A 365 11.534 10.120 -5.387 1.00 0.48 O ATOM 451 OE2 GLU A 365 10.185 11.555 -6.328 1.00 0.45 O1- ATOM 0 H GLU A 365 8.657 5.883 -7.191 1.00 0.05 H new ATOM 0 HA GLU A 365 7.938 7.538 -4.856 1.00 0.06 H new ATOM 0 HB2 GLU A 365 9.912 8.142 -6.761 1.00 0.10 H new ATOM 0 HB3 GLU A 365 8.465 8.985 -7.279 1.00 0.10 H new ATOM 0 HG2 GLU A 365 8.320 10.229 -5.280 1.00 0.16 H new ATOM 0 HG3 GLU A 365 9.381 9.138 -4.410 1.00 0.16 H new ATOM 458 N THR A 366 5.753 7.310 -5.965 1.00 0.05 N ATOM 459 CA THR A 366 4.533 7.209 -6.640 1.00 0.06 C ATOM 460 C THR A 366 3.440 7.914 -5.906 1.00 0.06 C ATOM 461 O THR A 366 3.560 8.254 -4.749 1.00 0.07 O ATOM 462 CB THR A 366 4.188 5.731 -6.858 1.00 0.06 C ATOM 463 OG1 THR A 366 3.617 5.528 -8.133 1.00 0.07 O ATOM 464 CG2 THR A 366 3.218 5.252 -5.812 1.00 0.07 C ATOM 0 H THR A 366 5.699 7.379 -4.949 1.00 0.05 H new ATOM 0 HA THR A 366 4.631 7.698 -7.609 1.00 0.06 H new ATOM 0 HB THR A 366 5.117 5.165 -6.784 1.00 0.06 H new ATOM 0 HG1 THR A 366 4.095 6.069 -8.796 1.00 0.07 H new ATOM 0 HG21 THR A 366 2.986 4.201 -5.985 1.00 0.07 H new ATOM 0 HG22 THR A 366 3.662 5.368 -4.823 1.00 0.07 H new ATOM 0 HG23 THR A 366 2.302 5.840 -5.869 1.00 0.07 H new ATOM 472 N ASP A 367 2.388 8.129 -6.604 1.00 0.07 N ATOM 473 CA ASP A 367 1.259 8.808 -6.100 1.00 0.09 C ATOM 474 C ASP A 367 0.166 7.808 -5.775 1.00 0.09 C ATOM 475 O ASP A 367 -0.077 6.885 -6.535 1.00 0.11 O ATOM 476 CB ASP A 367 0.875 9.816 -7.169 1.00 0.13 C ATOM 477 CG ASP A 367 0.739 9.242 -8.580 1.00 0.98 C ATOM 478 OD1 ASP A 367 1.655 8.516 -9.037 1.00 1.65 O ATOM 479 OD2 ASP A 367 -0.243 9.570 -9.269 1.00 1.80 O1- ATOM 0 H ASP A 367 2.288 7.827 -7.573 1.00 0.07 H new ATOM 0 HA ASP A 367 1.450 9.335 -5.165 1.00 0.09 H new ATOM 0 HB2 ASP A 367 -0.072 10.278 -6.888 1.00 0.13 H new ATOM 0 HB3 ASP A 367 1.624 10.608 -7.186 1.00 0.13 H new ATOM 484 N ILE A 368 -0.424 7.954 -4.593 1.00 0.09 N ATOM 485 CA ILE A 368 -1.360 6.964 -4.071 1.00 0.08 C ATOM 486 C ILE A 368 -2.592 7.590 -3.511 1.00 0.07 C ATOM 487 O ILE A 368 -2.800 8.797 -3.571 1.00 0.08 O ATOM 488 CB ILE A 368 -0.757 6.121 -2.946 1.00 0.09 C ATOM 489 CG1 ILE A 368 0.016 6.984 -1.982 1.00 0.08 C ATOM 490 CG2 ILE A 368 0.114 5.048 -3.519 1.00 0.12 C ATOM 491 CD1 ILE A 368 -0.826 7.604 -0.877 1.00 0.08 C ATOM 0 H ILE A 368 -0.270 8.752 -3.976 1.00 0.09 H new ATOM 0 HA ILE A 368 -1.599 6.339 -4.931 1.00 0.08 H new ATOM 0 HB ILE A 368 -1.569 5.650 -2.391 1.00 0.09 H new ATOM 0 HG12 ILE A 368 0.804 6.383 -1.528 1.00 0.08 H new ATOM 0 HG13 ILE A 368 0.505 7.782 -2.540 1.00 0.08 H new ATOM 0 HG21 ILE A 368 0.539 4.453 -2.710 1.00 0.12 H new ATOM 0 HG22 ILE A 368 -0.480 4.405 -4.169 1.00 0.12 H new ATOM 0 HG23 ILE A 368 0.919 5.503 -4.096 1.00 0.12 H new ATOM 0 HD11 ILE A 368 -0.190 8.208 -0.230 1.00 0.08 H new ATOM 0 HD12 ILE A 368 -1.598 8.235 -1.318 1.00 0.08 H new ATOM 0 HD13 ILE A 368 -1.294 6.814 -0.290 1.00 0.08 H new ATOM 503 N VAL A 369 -3.375 6.731 -2.924 1.00 0.07 N ATOM 504 CA VAL A 369 -4.533 7.121 -2.178 1.00 0.08 C ATOM 505 C VAL A 369 -4.785 6.086 -1.110 1.00 0.09 C ATOM 506 O VAL A 369 -4.872 4.886 -1.363 1.00 0.10 O ATOM 507 CB VAL A 369 -5.788 7.383 -3.070 1.00 0.08 C ATOM 508 CG1 VAL A 369 -5.513 7.097 -4.550 1.00 0.10 C ATOM 509 CG2 VAL A 369 -7.004 6.597 -2.583 1.00 0.09 C ATOM 0 H VAL A 369 -3.222 5.723 -2.952 1.00 0.07 H new ATOM 0 HA VAL A 369 -4.336 8.085 -1.710 1.00 0.08 H new ATOM 0 HB VAL A 369 -6.016 8.445 -2.977 1.00 0.08 H new ATOM 0 HG11 VAL A 369 -6.414 7.293 -5.132 1.00 0.10 H new ATOM 0 HG12 VAL A 369 -4.707 7.741 -4.901 1.00 0.10 H new ATOM 0 HG13 VAL A 369 -5.223 6.053 -4.671 1.00 0.10 H new ATOM 0 HG21 VAL A 369 -7.856 6.807 -3.230 1.00 0.09 H new ATOM 0 HG22 VAL A 369 -6.782 5.530 -2.610 1.00 0.09 H new ATOM 0 HG23 VAL A 369 -7.243 6.892 -1.561 1.00 0.09 H new ATOM 519 N SER A 370 -4.781 6.592 0.091 1.00 0.09 N ATOM 520 CA SER A 370 -4.952 5.818 1.294 1.00 0.08 C ATOM 521 C SER A 370 -6.417 5.454 1.519 1.00 0.08 C ATOM 522 O SER A 370 -7.232 5.616 0.610 1.00 0.10 O ATOM 523 CB SER A 370 -4.343 6.570 2.465 1.00 0.13 C ATOM 524 OG SER A 370 -4.890 7.868 2.581 1.00 1.26 O ATOM 0 H SER A 370 -4.654 7.588 0.268 1.00 0.09 H new ATOM 0 HA SER A 370 -4.425 4.869 1.194 1.00 0.08 H new ATOM 0 HB2 SER A 370 -4.518 6.015 3.387 1.00 0.13 H new ATOM 0 HB3 SER A 370 -3.263 6.638 2.334 1.00 0.13 H new ATOM 0 HG SER A 370 -5.032 8.080 3.527 1.00 1.26 H new ATOM 530 N GLY A 371 -6.771 4.943 2.682 1.00 0.09 N ATOM 531 CA GLY A 371 -8.137 4.510 2.858 1.00 0.12 C ATOM 532 C GLY A 371 -9.044 5.658 3.256 1.00 0.12 C ATOM 533 O GLY A 371 -8.576 6.751 3.587 1.00 0.14 O ATOM 0 H GLY A 371 -6.158 4.822 3.488 1.00 0.09 H new ATOM 0 HA2 GLY A 371 -8.499 4.065 1.932 1.00 0.12 H new ATOM 0 HA3 GLY A 371 -8.177 3.733 3.622 1.00 0.12 H new ATOM 537 N LYS A 372 -10.340 5.417 3.184 1.00 0.16 N ATOM 538 CA LYS A 372 -11.336 6.476 3.276 1.00 0.16 C ATOM 539 C LYS A 372 -11.490 6.983 4.713 1.00 0.18 C ATOM 540 O LYS A 372 -11.195 6.286 5.667 1.00 0.21 O ATOM 541 CB LYS A 372 -12.665 5.937 2.755 1.00 0.19 C ATOM 542 CG LYS A 372 -13.358 5.014 3.723 1.00 0.27 C ATOM 543 CD LYS A 372 -13.954 3.843 3.000 1.00 0.47 C ATOM 544 CE LYS A 372 -15.020 4.317 2.055 1.00 0.81 C ATOM 545 NZ LYS A 372 -15.536 3.234 1.180 1.00 0.79 N1+ ATOM 0 H LYS A 372 -10.734 4.485 3.060 1.00 0.16 H new ATOM 0 HA LYS A 372 -11.011 7.323 2.672 1.00 0.16 H new ATOM 0 HB2 LYS A 372 -13.324 6.775 2.528 1.00 0.19 H new ATOM 0 HB3 LYS A 372 -12.491 5.406 1.819 1.00 0.19 H new ATOM 0 HG2 LYS A 372 -12.648 4.663 4.472 1.00 0.27 H new ATOM 0 HG3 LYS A 372 -14.140 5.556 4.255 1.00 0.27 H new ATOM 0 HD2 LYS A 372 -13.178 3.311 2.450 1.00 0.47 H new ATOM 0 HD3 LYS A 372 -14.377 3.139 3.716 1.00 0.47 H new ATOM 0 HE2 LYS A 372 -15.845 4.739 2.628 1.00 0.81 H new ATOM 0 HE3 LYS A 372 -14.619 5.119 1.435 1.00 0.81 H new ATOM 0 HZ1 LYS A 372 -16.501 3.468 0.871 1.00 0.79 H new ATOM 0 HZ2 LYS A 372 -14.920 3.137 0.348 1.00 0.79 H new ATOM 0 HZ3 LYS A 372 -15.549 2.338 1.708 1.00 0.79 H new ATOM 559 N PRO A 373 -11.966 8.242 4.843 1.00 0.19 N ATOM 560 CA PRO A 373 -12.067 8.991 6.111 1.00 0.21 C ATOM 561 C PRO A 373 -12.837 8.264 7.170 1.00 0.24 C ATOM 562 O PRO A 373 -12.650 8.476 8.364 1.00 0.28 O ATOM 563 CB PRO A 373 -12.903 10.185 5.712 1.00 0.23 C ATOM 564 CG PRO A 373 -12.545 10.422 4.315 1.00 0.21 C ATOM 565 CD PRO A 373 -12.458 9.054 3.725 1.00 0.19 C ATOM 0 HA PRO A 373 -11.078 9.192 6.523 1.00 0.21 H new ATOM 0 HB2 PRO A 373 -13.968 9.980 5.821 1.00 0.23 H new ATOM 0 HB3 PRO A 373 -12.680 11.053 6.333 1.00 0.23 H new ATOM 0 HG2 PRO A 373 -13.296 11.028 3.808 1.00 0.21 H new ATOM 0 HG3 PRO A 373 -11.597 10.954 4.231 1.00 0.21 H new ATOM 0 HD2 PRO A 373 -13.428 8.706 3.369 1.00 0.19 H new ATOM 0 HD3 PRO A 373 -11.777 9.024 2.874 1.00 0.19 H new ATOM 573 N THR A 374 -13.767 7.476 6.693 1.00 0.25 N ATOM 574 CA THR A 374 -14.672 6.748 7.555 1.00 0.28 C ATOM 575 C THR A 374 -13.919 5.639 8.268 1.00 0.30 C ATOM 576 O THR A 374 -14.191 5.302 9.420 1.00 0.33 O ATOM 577 CB THR A 374 -15.837 6.135 6.751 1.00 0.29 C ATOM 578 OG1 THR A 374 -15.386 5.015 5.984 1.00 0.29 O ATOM 579 CG2 THR A 374 -16.413 7.162 5.809 1.00 0.29 C ATOM 0 H THR A 374 -13.921 7.319 5.697 1.00 0.25 H new ATOM 0 HA THR A 374 -15.083 7.449 8.282 1.00 0.28 H new ATOM 0 HB THR A 374 -16.599 5.808 7.459 1.00 0.29 H new ATOM 0 HG1 THR A 374 -15.928 4.935 5.172 1.00 0.29 H new ATOM 0 HG21 THR A 374 -17.235 6.719 5.246 1.00 0.29 H new ATOM 0 HG22 THR A 374 -16.782 8.014 6.381 1.00 0.29 H new ATOM 0 HG23 THR A 374 -15.639 7.497 5.118 1.00 0.29 H new ATOM 587 N THR A 375 -12.961 5.091 7.546 1.00 0.28 N ATOM 588 CA THR A 375 -12.127 4.007 8.025 1.00 0.31 C ATOM 589 C THR A 375 -10.699 4.208 7.529 1.00 0.29 C ATOM 590 O THR A 375 -10.168 3.506 6.666 1.00 0.29 O ATOM 591 CB THR A 375 -12.731 2.677 7.609 1.00 0.34 C ATOM 592 OG1 THR A 375 -11.859 1.574 7.892 1.00 0.39 O ATOM 593 CG2 THR A 375 -13.119 2.714 6.139 1.00 0.31 C ATOM 0 H THR A 375 -12.737 5.391 6.597 1.00 0.28 H new ATOM 0 HA THR A 375 -12.084 4.002 9.114 1.00 0.31 H new ATOM 0 HB THR A 375 -13.631 2.520 8.203 1.00 0.34 H new ATOM 0 HG1 THR A 375 -12.287 0.738 7.610 1.00 0.39 H new ATOM 0 HG21 THR A 375 -13.551 1.755 5.852 1.00 0.31 H new ATOM 0 HG22 THR A 375 -13.851 3.505 5.976 1.00 0.31 H new ATOM 0 HG23 THR A 375 -12.234 2.909 5.534 1.00 0.31 H new ATOM 601 N PRO A 376 -10.113 5.228 8.119 1.00 0.28 N ATOM 602 CA PRO A 376 -8.833 5.833 7.759 1.00 0.26 C ATOM 603 C PRO A 376 -7.644 4.913 7.784 1.00 0.26 C ATOM 604 O PRO A 376 -7.687 3.805 8.328 1.00 0.38 O ATOM 605 CB PRO A 376 -8.686 6.899 8.835 1.00 0.29 C ATOM 606 CG PRO A 376 -10.059 7.238 9.167 1.00 0.32 C ATOM 607 CD PRO A 376 -10.719 5.923 9.232 1.00 0.32 C ATOM 0 HA PRO A 376 -8.845 6.180 6.726 1.00 0.26 H new ATOM 0 HB2 PRO A 376 -8.145 6.521 9.703 1.00 0.29 H new ATOM 0 HB3 PRO A 376 -8.136 7.766 8.469 1.00 0.29 H new ATOM 0 HG2 PRO A 376 -10.125 7.770 10.116 1.00 0.32 H new ATOM 0 HG3 PRO A 376 -10.511 7.879 8.410 1.00 0.32 H new ATOM 0 HD2 PRO A 376 -10.531 5.418 10.180 1.00 0.32 H new ATOM 0 HD3 PRO A 376 -11.801 6.003 9.123 1.00 0.32 H new ATOM 615 N THR A 377 -6.571 5.392 7.188 1.00 0.17 N ATOM 616 CA THR A 377 -5.318 4.735 7.301 1.00 0.21 C ATOM 617 C THR A 377 -4.544 5.367 8.471 1.00 0.17 C ATOM 618 O THR A 377 -4.606 6.578 8.689 1.00 0.21 O ATOM 619 CB THR A 377 -4.529 4.796 5.965 1.00 0.33 C ATOM 620 OG1 THR A 377 -4.389 3.483 5.412 1.00 0.82 O ATOM 621 CG2 THR A 377 -3.157 5.407 6.143 1.00 0.22 C ATOM 0 H THR A 377 -6.559 6.240 6.621 1.00 0.17 H new ATOM 0 HA THR A 377 -5.467 3.676 7.509 1.00 0.21 H new ATOM 0 HB THR A 377 -5.099 5.430 5.286 1.00 0.33 H new ATOM 0 HG1 THR A 377 -5.264 3.159 5.112 1.00 0.82 H new ATOM 0 HG21 THR A 377 -2.641 5.429 5.183 1.00 0.22 H new ATOM 0 HG22 THR A 377 -3.258 6.423 6.524 1.00 0.22 H new ATOM 0 HG23 THR A 377 -2.582 4.810 6.850 1.00 0.22 H new ATOM 629 N PRO A 378 -3.838 4.538 9.252 1.00 0.14 N ATOM 630 CA PRO A 378 -3.206 4.925 10.523 1.00 0.15 C ATOM 631 C PRO A 378 -1.937 5.723 10.308 1.00 0.13 C ATOM 632 O PRO A 378 -1.722 6.760 10.933 1.00 0.16 O ATOM 633 CB PRO A 378 -2.844 3.557 11.131 1.00 0.17 C ATOM 634 CG PRO A 378 -3.626 2.576 10.342 1.00 0.19 C ATOM 635 CD PRO A 378 -3.568 3.135 8.976 1.00 0.17 C ATOM 0 HA PRO A 378 -3.852 5.552 11.137 1.00 0.15 H new ATOM 0 HB2 PRO A 378 -1.774 3.362 11.057 1.00 0.17 H new ATOM 0 HB3 PRO A 378 -3.104 3.512 12.189 1.00 0.17 H new ATOM 0 HG2 PRO A 378 -3.189 1.578 10.390 1.00 0.19 H new ATOM 0 HG3 PRO A 378 -4.651 2.493 10.702 1.00 0.19 H new ATOM 0 HD2 PRO A 378 -2.595 2.984 8.507 1.00 0.17 H new ATOM 0 HD3 PRO A 378 -4.313 2.692 8.315 1.00 0.17 H new ATOM 643 N ALA A 379 -1.126 5.221 9.400 1.00 0.11 N ATOM 644 CA ALA A 379 0.205 5.730 9.140 1.00 0.10 C ATOM 645 C ALA A 379 1.144 5.613 10.329 1.00 0.10 C ATOM 646 O ALA A 379 0.805 5.869 11.489 1.00 0.13 O ATOM 647 CB ALA A 379 0.189 7.139 8.590 1.00 0.11 C ATOM 0 H ALA A 379 -1.380 4.430 8.809 1.00 0.11 H new ATOM 0 HA ALA A 379 0.608 5.078 8.365 1.00 0.10 H new ATOM 0 HB1 ALA A 379 1.212 7.472 8.413 1.00 0.11 H new ATOM 0 HB2 ALA A 379 -0.366 7.157 7.652 1.00 0.11 H new ATOM 0 HB3 ALA A 379 -0.290 7.804 9.308 1.00 0.11 H new ATOM 653 N GLY A 380 2.342 5.229 9.978 1.00 0.10 N ATOM 654 CA GLY A 380 3.405 4.994 10.909 1.00 0.11 C ATOM 655 C GLY A 380 4.345 3.962 10.347 1.00 0.12 C ATOM 656 O GLY A 380 5.011 4.204 9.344 1.00 0.20 O ATOM 0 H GLY A 380 2.610 5.067 9.007 1.00 0.10 H new ATOM 0 HA2 GLY A 380 3.942 5.922 11.106 1.00 0.11 H new ATOM 0 HA3 GLY A 380 3.000 4.652 11.861 1.00 0.11 H new ATOM 660 N VAL A 381 4.363 2.798 10.963 1.00 0.12 N ATOM 661 CA VAL A 381 5.169 1.699 10.486 1.00 0.13 C ATOM 662 C VAL A 381 4.331 0.416 10.402 1.00 0.15 C ATOM 663 O VAL A 381 3.742 -0.042 11.388 1.00 0.25 O ATOM 664 CB VAL A 381 6.393 1.508 11.400 1.00 0.17 C ATOM 665 CG1 VAL A 381 6.020 0.854 12.719 1.00 0.79 C ATOM 666 CG2 VAL A 381 7.489 0.725 10.690 1.00 0.82 C ATOM 0 H VAL A 381 3.822 2.590 11.803 1.00 0.12 H new ATOM 0 HA VAL A 381 5.526 1.929 9.482 1.00 0.13 H new ATOM 0 HB VAL A 381 6.781 2.500 11.631 1.00 0.17 H new ATOM 0 HG11 VAL A 381 6.913 0.738 13.333 1.00 0.79 H new ATOM 0 HG12 VAL A 381 5.297 1.479 13.244 1.00 0.79 H new ATOM 0 HG13 VAL A 381 5.581 -0.125 12.528 1.00 0.79 H new ATOM 0 HG21 VAL A 381 8.342 0.605 11.358 1.00 0.82 H new ATOM 0 HG22 VAL A 381 7.109 -0.256 10.406 1.00 0.82 H new ATOM 0 HG23 VAL A 381 7.802 1.265 9.797 1.00 0.82 H new ATOM 676 N PHE A 382 4.223 -0.123 9.207 1.00 0.09 N ATOM 677 CA PHE A 382 3.611 -1.415 9.003 1.00 0.09 C ATOM 678 C PHE A 382 4.687 -2.338 8.409 1.00 0.09 C ATOM 679 O PHE A 382 5.849 -1.942 8.335 1.00 0.10 O ATOM 680 CB PHE A 382 2.354 -1.333 8.120 1.00 0.10 C ATOM 681 CG PHE A 382 1.482 -0.118 8.364 1.00 0.11 C ATOM 682 CD1 PHE A 382 1.135 0.260 9.659 1.00 0.18 C ATOM 683 CD2 PHE A 382 0.996 0.643 7.306 1.00 0.12 C ATOM 684 CE1 PHE A 382 0.334 1.355 9.881 1.00 0.22 C ATOM 685 CE2 PHE A 382 0.186 1.738 7.534 1.00 0.15 C ATOM 686 CZ PHE A 382 -0.091 2.133 8.803 1.00 0.18 C ATOM 0 H PHE A 382 4.557 0.322 8.352 1.00 0.09 H new ATOM 0 HA PHE A 382 3.256 -1.817 9.952 1.00 0.09 H new ATOM 0 HB2 PHE A 382 2.661 -1.338 7.074 1.00 0.10 H new ATOM 0 HB3 PHE A 382 1.756 -2.230 8.280 1.00 0.10 H new ATOM 0 HD1 PHE A 382 1.499 -0.314 10.498 1.00 0.18 H new ATOM 0 HD2 PHE A 382 1.256 0.374 6.293 1.00 0.12 H new ATOM 0 HE1 PHE A 382 0.035 1.612 10.886 1.00 0.22 H new ATOM 0 HE2 PHE A 382 -0.229 2.283 6.699 1.00 0.15 H new ATOM 0 HZ PHE A 382 -0.639 3.047 8.978 1.00 0.18 H new ATOM 696 N TYR A 383 4.364 -3.555 8.009 1.00 0.11 N ATOM 697 CA TYR A 383 5.427 -4.484 7.624 1.00 0.11 C ATOM 698 C TYR A 383 5.060 -5.341 6.414 1.00 0.11 C ATOM 699 O TYR A 383 4.047 -6.034 6.423 1.00 0.13 O ATOM 700 CB TYR A 383 5.691 -5.382 8.825 1.00 0.13 C ATOM 701 CG TYR A 383 7.130 -5.789 8.986 1.00 0.21 C ATOM 702 CD1 TYR A 383 8.120 -4.831 9.161 1.00 0.25 C ATOM 703 CD2 TYR A 383 7.495 -7.126 8.988 1.00 0.37 C ATOM 704 CE1 TYR A 383 9.438 -5.195 9.336 1.00 0.39 C ATOM 705 CE2 TYR A 383 8.811 -7.504 9.156 1.00 0.49 C ATOM 706 CZ TYR A 383 9.781 -6.534 9.334 1.00 0.50 C ATOM 707 OH TYR A 383 11.093 -6.910 9.524 1.00 0.65 O ATOM 0 H TYR A 383 3.414 -3.920 7.941 1.00 0.11 H new ATOM 0 HA TYR A 383 6.308 -3.911 7.336 1.00 0.11 H new ATOM 0 HB2 TYR A 383 5.368 -4.865 9.729 1.00 0.13 H new ATOM 0 HB3 TYR A 383 5.079 -6.280 8.735 1.00 0.13 H new ATOM 0 HD1 TYR A 383 7.853 -3.784 9.160 1.00 0.25 H new ATOM 0 HD2 TYR A 383 6.737 -7.884 8.856 1.00 0.37 H new ATOM 0 HE1 TYR A 383 10.197 -4.439 9.474 1.00 0.39 H new ATOM 0 HE2 TYR A 383 9.082 -8.549 9.149 1.00 0.49 H new ATOM 0 HH TYR A 383 11.549 -6.957 8.658 1.00 0.65 H new ATOM 717 N VAL A 384 5.889 -5.283 5.363 1.00 0.09 N ATOM 718 CA VAL A 384 5.756 -6.218 4.253 1.00 0.09 C ATOM 719 C VAL A 384 6.604 -7.428 4.516 1.00 0.13 C ATOM 720 O VAL A 384 7.792 -7.504 4.186 1.00 0.16 O ATOM 721 CB VAL A 384 6.089 -5.645 2.858 1.00 0.07 C ATOM 722 CG1 VAL A 384 7.369 -4.858 2.886 1.00 0.07 C ATOM 723 CG2 VAL A 384 6.178 -6.762 1.810 1.00 0.08 C ATOM 0 H VAL A 384 6.646 -4.607 5.264 1.00 0.09 H new ATOM 0 HA VAL A 384 4.696 -6.469 4.212 1.00 0.09 H new ATOM 0 HB VAL A 384 5.278 -4.973 2.579 1.00 0.07 H new ATOM 0 HG11 VAL A 384 7.578 -4.467 1.890 1.00 0.07 H new ATOM 0 HG12 VAL A 384 7.272 -4.030 3.588 1.00 0.07 H new ATOM 0 HG13 VAL A 384 8.187 -5.506 3.200 1.00 0.07 H new ATOM 0 HG21 VAL A 384 6.414 -6.330 0.837 1.00 0.08 H new ATOM 0 HG22 VAL A 384 6.961 -7.466 2.094 1.00 0.08 H new ATOM 0 HG23 VAL A 384 5.223 -7.285 1.753 1.00 0.08 H new ATOM 733 N TRP A 385 5.968 -8.375 5.117 1.00 0.18 N ATOM 734 CA TRP A 385 6.587 -9.635 5.397 1.00 0.23 C ATOM 735 C TRP A 385 6.263 -10.585 4.260 1.00 0.12 C ATOM 736 O TRP A 385 6.492 -11.790 4.334 1.00 0.21 O ATOM 737 CB TRP A 385 6.182 -10.167 6.777 1.00 0.48 C ATOM 738 CG TRP A 385 4.704 -10.115 7.040 1.00 0.45 C ATOM 739 CD1 TRP A 385 3.951 -9.002 7.323 1.00 0.57 C ATOM 740 CD2 TRP A 385 3.800 -11.222 7.069 1.00 1.08 C ATOM 741 NE1 TRP A 385 2.644 -9.356 7.507 1.00 1.17 N ATOM 742 CE2 TRP A 385 2.524 -10.708 7.360 1.00 1.54 C ATOM 743 CE3 TRP A 385 3.941 -12.598 6.873 1.00 1.37 C ATOM 744 CZ2 TRP A 385 1.402 -11.514 7.459 1.00 2.27 C ATOM 745 CZ3 TRP A 385 2.822 -13.401 6.974 1.00 2.11 C ATOM 746 CH2 TRP A 385 1.566 -12.858 7.265 1.00 2.55 C ATOM 0 H TRP A 385 5.000 -8.302 5.431 1.00 0.18 H new ATOM 0 HA TRP A 385 7.670 -9.524 5.451 1.00 0.23 H new ATOM 0 HB2 TRP A 385 6.522 -11.198 6.872 1.00 0.48 H new ATOM 0 HB3 TRP A 385 6.698 -9.589 7.544 1.00 0.48 H new ATOM 0 HD1 TRP A 385 4.335 -7.995 7.390 1.00 0.57 H new ATOM 0 HE1 TRP A 385 1.881 -8.714 7.720 1.00 1.17 H new ATOM 0 HE3 TRP A 385 4.907 -13.026 6.647 1.00 1.37 H new ATOM 0 HZ2 TRP A 385 0.431 -11.096 7.682 1.00 2.27 H new ATOM 0 HZ3 TRP A 385 2.918 -14.466 6.826 1.00 2.11 H new ATOM 0 HH2 TRP A 385 0.710 -13.512 7.338 1.00 2.55 H new ATOM 757 N ASN A 386 5.728 -9.990 3.191 1.00 0.10 N ATOM 758 CA ASN A 386 5.507 -10.682 1.932 1.00 0.14 C ATOM 759 C ASN A 386 5.153 -9.681 0.837 1.00 0.11 C ATOM 760 O ASN A 386 4.263 -8.861 0.984 1.00 0.12 O ATOM 761 CB ASN A 386 4.377 -11.696 2.089 1.00 0.27 C ATOM 762 CG ASN A 386 4.178 -12.535 0.839 1.00 0.33 C ATOM 763 OD1 ASN A 386 4.802 -13.580 0.679 1.00 0.43 O ATOM 764 ND2 ASN A 386 3.312 -12.083 -0.051 1.00 0.31 N ATOM 0 H ASN A 386 5.437 -9.012 3.181 1.00 0.10 H new ATOM 0 HA ASN A 386 6.422 -11.204 1.652 1.00 0.14 H new ATOM 0 HB2 ASN A 386 4.594 -12.351 2.933 1.00 0.27 H new ATOM 0 HB3 ASN A 386 3.451 -11.171 2.323 1.00 0.27 H new ATOM 0 HD21 ASN A 386 3.142 -12.608 -0.909 1.00 0.31 H new ATOM 0 HD22 ASN A 386 2.814 -11.210 0.120 1.00 0.31 H new ATOM 771 N LYS A 387 5.903 -9.756 -0.241 1.00 0.11 N ATOM 772 CA LYS A 387 5.611 -9.048 -1.488 1.00 0.09 C ATOM 773 C LYS A 387 4.990 -10.021 -2.473 1.00 0.08 C ATOM 774 O LYS A 387 5.396 -11.184 -2.544 1.00 0.13 O ATOM 775 CB LYS A 387 6.895 -8.447 -2.086 1.00 0.13 C ATOM 776 CG LYS A 387 8.186 -8.906 -1.427 1.00 0.38 C ATOM 777 CD LYS A 387 8.408 -10.379 -1.648 1.00 0.20 C ATOM 778 CE LYS A 387 8.944 -10.671 -3.024 1.00 0.40 C ATOM 779 NZ LYS A 387 9.276 -12.107 -3.203 1.00 1.12 N1+ ATOM 0 H LYS A 387 6.752 -10.320 -0.285 1.00 0.11 H new ATOM 0 HA LYS A 387 4.917 -8.233 -1.282 1.00 0.09 H new ATOM 0 HB2 LYS A 387 6.936 -8.698 -3.146 1.00 0.13 H new ATOM 0 HB3 LYS A 387 6.836 -7.361 -2.018 1.00 0.13 H new ATOM 0 HG2 LYS A 387 9.026 -8.343 -1.833 1.00 0.38 H new ATOM 0 HG3 LYS A 387 8.148 -8.696 -0.358 1.00 0.38 H new ATOM 0 HD2 LYS A 387 9.106 -10.756 -0.900 1.00 0.20 H new ATOM 0 HD3 LYS A 387 7.468 -10.912 -1.505 1.00 0.20 H new ATOM 0 HE2 LYS A 387 8.207 -10.375 -3.770 1.00 0.40 H new ATOM 0 HE3 LYS A 387 9.835 -10.069 -3.200 1.00 0.40 H new ATOM 0 HZ1 LYS A 387 9.641 -12.262 -4.164 1.00 1.12 H new ATOM 0 HZ2 LYS A 387 9.999 -12.385 -2.509 1.00 1.12 H new ATOM 0 HZ3 LYS A 387 8.421 -12.681 -3.061 1.00 1.12 H new ATOM 793 N GLU A 388 4.017 -9.537 -3.232 1.00 0.09 N ATOM 794 CA GLU A 388 3.156 -10.404 -4.024 1.00 0.10 C ATOM 795 C GLU A 388 3.090 -10.049 -5.488 1.00 0.10 C ATOM 796 O GLU A 388 3.327 -8.917 -5.889 1.00 0.10 O ATOM 797 CB GLU A 388 1.755 -10.314 -3.477 1.00 0.09 C ATOM 798 CG GLU A 388 1.472 -11.279 -2.401 1.00 0.15 C ATOM 799 CD GLU A 388 1.578 -12.721 -2.842 1.00 0.38 C ATOM 800 OE1 GLU A 388 0.603 -13.245 -3.419 1.00 0.69 O ATOM 801 OE2 GLU A 388 2.642 -13.331 -2.622 1.00 0.71 O1- ATOM 0 H GLU A 388 3.803 -8.543 -3.316 1.00 0.09 H new ATOM 0 HA GLU A 388 3.585 -11.403 -3.952 1.00 0.10 H new ATOM 0 HB2 GLU A 388 1.586 -9.305 -3.101 1.00 0.09 H new ATOM 0 HB3 GLU A 388 1.047 -10.473 -4.290 1.00 0.09 H new ATOM 0 HG2 GLU A 388 2.165 -11.107 -1.578 1.00 0.15 H new ATOM 0 HG3 GLU A 388 0.469 -11.098 -2.016 1.00 0.15 H new ATOM 808 N GLU A 389 2.718 -11.060 -6.247 1.00 0.10 N ATOM 809 CA GLU A 389 2.451 -10.965 -7.655 1.00 0.11 C ATOM 810 C GLU A 389 1.214 -11.767 -7.965 1.00 0.16 C ATOM 811 O GLU A 389 1.139 -12.948 -7.611 1.00 0.28 O ATOM 812 CB GLU A 389 3.596 -11.502 -8.480 1.00 0.14 C ATOM 813 CG GLU A 389 4.767 -10.568 -8.556 1.00 0.16 C ATOM 814 CD GLU A 389 5.829 -11.048 -9.521 1.00 0.27 C ATOM 815 OE1 GLU A 389 6.309 -12.190 -9.370 1.00 0.33 O1- ATOM 816 OE2 GLU A 389 6.166 -10.296 -10.457 1.00 0.38 O ATOM 0 H GLU A 389 2.591 -12.003 -5.879 1.00 0.10 H new ATOM 0 HA GLU A 389 2.315 -9.913 -7.907 1.00 0.11 H new ATOM 0 HB2 GLU A 389 3.925 -12.451 -8.057 1.00 0.14 H new ATOM 0 HB3 GLU A 389 3.240 -11.709 -9.489 1.00 0.14 H new ATOM 0 HG2 GLU A 389 4.421 -9.581 -8.863 1.00 0.16 H new ATOM 0 HG3 GLU A 389 5.205 -10.458 -7.564 1.00 0.16 H new ATOM 823 N ASP A 390 0.265 -11.133 -8.622 1.00 0.12 N ATOM 824 CA ASP A 390 -1.004 -11.762 -8.943 1.00 0.15 C ATOM 825 C ASP A 390 -1.657 -12.255 -7.651 1.00 0.16 C ATOM 826 O ASP A 390 -2.107 -13.393 -7.514 1.00 0.25 O ATOM 827 CB ASP A 390 -0.750 -12.869 -9.951 1.00 0.19 C ATOM 828 CG ASP A 390 -2.007 -13.616 -10.357 1.00 0.28 C ATOM 829 OD1 ASP A 390 -3.020 -12.958 -10.672 1.00 0.41 O ATOM 830 OD2 ASP A 390 -1.985 -14.865 -10.359 1.00 0.36 O1- ATOM 0 H ASP A 390 0.349 -10.170 -8.949 1.00 0.12 H new ATOM 0 HA ASP A 390 -1.701 -11.060 -9.400 1.00 0.15 H new ATOM 0 HB2 ASP A 390 -0.288 -12.441 -10.840 1.00 0.19 H new ATOM 0 HB3 ASP A 390 -0.036 -13.577 -9.530 1.00 0.19 H new ATOM 835 N ALA A 391 -1.652 -11.332 -6.699 1.00 0.12 N ATOM 836 CA ALA A 391 -2.228 -11.505 -5.380 1.00 0.11 C ATOM 837 C ALA A 391 -3.704 -11.214 -5.437 1.00 0.10 C ATOM 838 O ALA A 391 -4.197 -10.716 -6.436 1.00 0.11 O ATOM 839 CB ALA A 391 -1.584 -10.517 -4.441 1.00 0.10 C ATOM 0 H ALA A 391 -1.232 -10.412 -6.832 1.00 0.12 H new ATOM 0 HA ALA A 391 -2.064 -12.527 -5.037 1.00 0.11 H new ATOM 0 HB1 ALA A 391 -2.007 -10.634 -3.443 1.00 0.10 H new ATOM 0 HB2 ALA A 391 -0.510 -10.698 -4.403 1.00 0.10 H new ATOM 0 HB3 ALA A 391 -1.769 -9.503 -4.797 1.00 0.10 H new ATOM 845 N THR A 392 -4.418 -11.527 -4.390 1.00 0.11 N ATOM 846 CA THR A 392 -5.789 -11.078 -4.290 1.00 0.11 C ATOM 847 C THR A 392 -6.082 -10.476 -2.936 1.00 0.11 C ATOM 848 O THR A 392 -5.933 -11.115 -1.895 1.00 0.14 O ATOM 849 CB THR A 392 -6.806 -12.182 -4.609 1.00 0.15 C ATOM 850 OG1 THR A 392 -6.464 -12.822 -5.843 1.00 0.17 O ATOM 851 CG2 THR A 392 -8.201 -11.591 -4.720 1.00 0.15 C ATOM 0 H THR A 392 -4.084 -12.083 -3.602 1.00 0.11 H new ATOM 0 HA THR A 392 -5.901 -10.304 -5.049 1.00 0.11 H new ATOM 0 HB THR A 392 -6.788 -12.915 -3.803 1.00 0.15 H new ATOM 0 HG1 THR A 392 -7.117 -13.526 -6.038 1.00 0.17 H new ATOM 0 HG21 THR A 392 -8.915 -12.383 -4.947 1.00 0.15 H new ATOM 0 HG22 THR A 392 -8.472 -11.118 -3.776 1.00 0.15 H new ATOM 0 HG23 THR A 392 -8.219 -10.848 -5.517 1.00 0.15 H new ATOM 859 N LEU A 393 -6.492 -9.234 -2.987 1.00 0.10 N ATOM 860 CA LEU A 393 -6.836 -8.461 -1.806 1.00 0.12 C ATOM 861 C LEU A 393 -8.213 -8.767 -1.298 1.00 0.15 C ATOM 862 O LEU A 393 -9.202 -8.144 -1.674 1.00 0.16 O ATOM 863 CB LEU A 393 -6.733 -7.009 -2.150 1.00 0.11 C ATOM 864 CG LEU A 393 -5.357 -6.389 -2.052 1.00 0.25 C ATOM 865 CD1 LEU A 393 -4.322 -7.340 -2.579 1.00 0.57 C ATOM 866 CD2 LEU A 393 -5.329 -5.133 -2.866 1.00 0.51 C ATOM 0 H LEU A 393 -6.600 -8.718 -3.860 1.00 0.10 H new ATOM 0 HA LEU A 393 -6.142 -8.727 -1.009 1.00 0.12 H new ATOM 0 HB2 LEU A 393 -7.097 -6.873 -3.168 1.00 0.11 H new ATOM 0 HB3 LEU A 393 -7.405 -6.454 -1.495 1.00 0.11 H new ATOM 0 HG LEU A 393 -5.138 -6.167 -1.008 1.00 0.25 H new ATOM 0 HD11 LEU A 393 -3.336 -6.883 -2.503 1.00 0.57 H new ATOM 0 HD12 LEU A 393 -4.341 -8.260 -1.994 1.00 0.57 H new ATOM 0 HD13 LEU A 393 -4.536 -7.569 -3.623 1.00 0.57 H new ATOM 0 HD21 LEU A 393 -4.340 -4.679 -2.801 1.00 0.51 H new ATOM 0 HD22 LEU A 393 -5.552 -5.369 -3.907 1.00 0.51 H new ATOM 0 HD23 LEU A 393 -6.074 -4.435 -2.484 1.00 0.51 H new ATOM 878 N LYS A 394 -8.248 -9.732 -0.452 1.00 0.18 N ATOM 879 CA LYS A 394 -9.457 -10.162 0.191 1.00 0.23 C ATOM 880 C LYS A 394 -9.582 -9.667 1.602 1.00 0.29 C ATOM 881 O LYS A 394 -8.709 -8.965 2.122 1.00 0.29 O ATOM 882 CB LYS A 394 -9.421 -11.628 0.161 1.00 0.25 C ATOM 883 CG LYS A 394 -9.432 -12.082 -1.223 1.00 0.23 C ATOM 884 CD LYS A 394 -9.885 -13.444 -1.270 1.00 0.27 C ATOM 885 CE LYS A 394 -9.243 -14.029 -2.451 1.00 0.27 C ATOM 886 NZ LYS A 394 -9.504 -15.482 -2.626 1.00 0.33 N1+ ATOM 0 H LYS A 394 -7.423 -10.263 -0.174 1.00 0.18 H new ATOM 0 HA LYS A 394 -10.323 -9.753 -0.330 1.00 0.23 H new ATOM 0 HB2 LYS A 394 -8.527 -11.992 0.668 1.00 0.25 H new ATOM 0 HB3 LYS A 394 -10.279 -12.035 0.696 1.00 0.25 H new ATOM 0 HG2 LYS A 394 -10.086 -11.448 -1.821 1.00 0.23 H new ATOM 0 HG3 LYS A 394 -8.433 -12.004 -1.652 1.00 0.23 H new ATOM 0 HD2 LYS A 394 -9.606 -13.982 -0.364 1.00 0.27 H new ATOM 0 HD3 LYS A 394 -10.971 -13.494 -1.348 1.00 0.27 H new ATOM 0 HE2 LYS A 394 -9.588 -13.499 -3.339 1.00 0.27 H new ATOM 0 HE3 LYS A 394 -8.167 -13.870 -2.383 1.00 0.27 H new ATOM 0 HZ1 LYS A 394 -9.018 -15.822 -3.480 1.00 0.33 H new ATOM 0 HZ2 LYS A 394 -9.150 -16.001 -1.797 1.00 0.33 H new ATOM 0 HZ3 LYS A 394 -10.527 -15.642 -2.723 1.00 0.33 H new ATOM 1015 N GLU A 404 -12.899 -9.093 -2.551 1.00 0.25 N ATOM 1016 CA GLU A 404 -11.651 -9.456 -3.181 1.00 0.21 C ATOM 1017 C GLU A 404 -11.200 -8.356 -4.117 1.00 0.20 C ATOM 1018 O GLU A 404 -12.014 -7.604 -4.655 1.00 0.23 O ATOM 1019 CB GLU A 404 -11.800 -10.739 -3.983 1.00 0.22 C ATOM 1020 CG GLU A 404 -11.965 -11.979 -3.133 1.00 0.24 C ATOM 1021 CD GLU A 404 -13.261 -12.705 -3.409 1.00 0.31 C ATOM 1022 OE1 GLU A 404 -13.351 -13.407 -4.437 1.00 0.39 O1- ATOM 1023 OE2 GLU A 404 -14.197 -12.581 -2.591 1.00 0.53 O ATOM 0 HA GLU A 404 -10.913 -9.605 -2.392 1.00 0.21 H new ATOM 0 HB2 GLU A 404 -12.663 -10.645 -4.642 1.00 0.22 H new ATOM 0 HB3 GLU A 404 -10.924 -10.861 -4.620 1.00 0.22 H new ATOM 0 HG2 GLU A 404 -11.129 -12.654 -3.316 1.00 0.24 H new ATOM 0 HG3 GLU A 404 -11.926 -11.701 -2.080 1.00 0.24 H new ATOM 1030 N SER A 405 -9.898 -8.232 -4.266 1.00 0.16 N ATOM 1031 CA SER A 405 -9.335 -7.381 -5.275 1.00 0.15 C ATOM 1032 C SER A 405 -8.078 -8.022 -5.779 1.00 0.13 C ATOM 1033 O SER A 405 -7.016 -7.893 -5.173 1.00 0.11 O ATOM 1034 CB SER A 405 -8.983 -6.014 -4.712 1.00 0.15 C ATOM 1035 OG SER A 405 -9.776 -5.699 -3.574 1.00 0.19 O ATOM 0 H SER A 405 -9.209 -8.718 -3.691 1.00 0.16 H new ATOM 0 HA SER A 405 -10.068 -7.250 -6.071 1.00 0.15 H new ATOM 0 HB2 SER A 405 -7.928 -5.993 -4.439 1.00 0.15 H new ATOM 0 HB3 SER A 405 -9.129 -5.254 -5.480 1.00 0.15 H new ATOM 0 HG SER A 405 -9.524 -4.815 -3.235 1.00 0.19 H new ATOM 1041 N PRO A 406 -8.173 -8.726 -6.890 1.00 0.15 N ATOM 1042 CA PRO A 406 -7.046 -9.424 -7.444 1.00 0.14 C ATOM 1043 C PRO A 406 -6.034 -8.445 -7.968 1.00 0.13 C ATOM 1044 O PRO A 406 -6.226 -7.782 -8.989 1.00 0.17 O ATOM 1045 CB PRO A 406 -7.656 -10.300 -8.536 1.00 0.18 C ATOM 1046 CG PRO A 406 -9.110 -10.282 -8.240 1.00 0.19 C ATOM 1047 CD PRO A 406 -9.373 -8.931 -7.678 1.00 0.18 C ATOM 0 HA PRO A 406 -6.500 -10.027 -6.718 1.00 0.14 H new ATOM 0 HB2 PRO A 406 -7.446 -9.904 -9.529 1.00 0.18 H new ATOM 0 HB3 PRO A 406 -7.255 -11.313 -8.506 1.00 0.18 H new ATOM 0 HG2 PRO A 406 -9.698 -10.456 -9.141 1.00 0.19 H new ATOM 0 HG3 PRO A 406 -9.378 -11.064 -7.529 1.00 0.19 H new ATOM 0 HD2 PRO A 406 -9.491 -8.176 -8.455 1.00 0.18 H new ATOM 0 HD3 PRO A 406 -10.277 -8.905 -7.069 1.00 0.18 H new ATOM 1055 N VAL A 407 -4.949 -8.398 -7.253 1.00 0.10 N ATOM 1056 CA VAL A 407 -3.966 -7.385 -7.388 1.00 0.09 C ATOM 1057 C VAL A 407 -2.741 -8.013 -8.029 1.00 0.11 C ATOM 1058 O VAL A 407 -2.573 -9.225 -8.002 1.00 0.15 O ATOM 1059 CB VAL A 407 -3.706 -6.834 -5.969 1.00 0.08 C ATOM 1060 CG1 VAL A 407 -2.430 -7.287 -5.354 1.00 0.07 C ATOM 1061 CG2 VAL A 407 -3.890 -5.347 -5.863 1.00 0.08 C ATOM 0 H VAL A 407 -4.724 -9.090 -6.539 1.00 0.10 H new ATOM 0 HA VAL A 407 -4.270 -6.555 -8.025 1.00 0.09 H new ATOM 0 HB VAL A 407 -4.492 -7.289 -5.366 1.00 0.08 H new ATOM 0 HG11 VAL A 407 -2.331 -6.852 -4.360 1.00 0.07 H new ATOM 0 HG12 VAL A 407 -2.430 -8.374 -5.276 1.00 0.07 H new ATOM 0 HG13 VAL A 407 -1.593 -6.968 -5.975 1.00 0.07 H new ATOM 0 HG21 VAL A 407 -3.692 -5.028 -4.840 1.00 0.08 H new ATOM 0 HG22 VAL A 407 -3.198 -4.846 -6.540 1.00 0.08 H new ATOM 0 HG23 VAL A 407 -4.914 -5.087 -6.132 1.00 0.08 H new ATOM 1071 N ASN A 408 -1.920 -7.213 -8.643 1.00 0.11 N ATOM 1072 CA ASN A 408 -0.786 -7.725 -9.382 1.00 0.12 C ATOM 1073 C ASN A 408 0.393 -7.826 -8.460 1.00 0.10 C ATOM 1074 O ASN A 408 1.325 -8.580 -8.712 1.00 0.11 O ATOM 1075 CB ASN A 408 -0.492 -6.799 -10.546 1.00 0.15 C ATOM 1076 CG ASN A 408 -1.611 -6.816 -11.554 1.00 0.19 C ATOM 1077 OD1 ASN A 408 -1.568 -7.539 -12.548 1.00 0.51 O ATOM 1078 ND2 ASN A 408 -2.641 -6.043 -11.279 1.00 0.38 N ATOM 0 H ASN A 408 -2.009 -6.197 -8.651 1.00 0.11 H new ATOM 0 HA ASN A 408 -1.003 -8.717 -9.777 1.00 0.12 H new ATOM 0 HB2 ASN A 408 -0.346 -5.783 -10.178 1.00 0.15 H new ATOM 0 HB3 ASN A 408 0.439 -7.100 -11.027 1.00 0.15 H new ATOM 0 HD21 ASN A 408 -3.448 -6.027 -11.903 1.00 0.38 H new ATOM 0 HD22 ASN A 408 -2.632 -5.460 -10.442 1.00 0.38 H new ATOM 1085 N TYR A 409 0.318 -7.075 -7.373 1.00 0.08 N ATOM 1086 CA TYR A 409 1.431 -6.901 -6.456 1.00 0.06 C ATOM 1087 C TYR A 409 0.884 -6.462 -5.114 1.00 0.06 C ATOM 1088 O TYR A 409 0.166 -5.466 -5.025 1.00 0.06 O ATOM 1089 CB TYR A 409 2.462 -5.883 -6.974 1.00 0.06 C ATOM 1090 CG TYR A 409 3.073 -6.270 -8.301 1.00 0.08 C ATOM 1091 CD1 TYR A 409 2.469 -5.883 -9.489 1.00 0.13 C ATOM 1092 CD2 TYR A 409 4.215 -7.056 -8.372 1.00 0.11 C ATOM 1093 CE1 TYR A 409 2.979 -6.265 -10.707 1.00 0.18 C ATOM 1094 CE2 TYR A 409 4.733 -7.444 -9.593 1.00 0.17 C ATOM 1095 CZ TYR A 409 4.108 -7.048 -10.757 1.00 0.17 C ATOM 1096 OH TYR A 409 4.617 -7.435 -11.975 1.00 0.27 O ATOM 0 H TYR A 409 -0.523 -6.566 -7.101 1.00 0.08 H new ATOM 0 HA TYR A 409 1.954 -7.853 -6.363 1.00 0.06 H new ATOM 0 HB2 TYR A 409 1.982 -4.909 -7.074 1.00 0.06 H new ATOM 0 HB3 TYR A 409 3.256 -5.773 -6.235 1.00 0.06 H new ATOM 0 HD1 TYR A 409 1.581 -5.270 -9.456 1.00 0.13 H new ATOM 0 HD2 TYR A 409 4.705 -7.368 -7.462 1.00 0.11 H new ATOM 0 HE1 TYR A 409 2.495 -5.952 -11.620 1.00 0.18 H new ATOM 0 HE2 TYR A 409 5.623 -8.054 -9.636 1.00 0.17 H new ATOM 0 HH TYR A 409 5.417 -7.983 -11.836 1.00 0.27 H new ATOM 1106 N TRP A 410 1.248 -7.180 -4.080 1.00 0.06 N ATOM 1107 CA TRP A 410 0.598 -7.055 -2.792 1.00 0.06 C ATOM 1108 C TRP A 410 1.579 -7.230 -1.666 1.00 0.06 C ATOM 1109 O TRP A 410 2.432 -8.101 -1.687 1.00 0.09 O ATOM 1110 CB TRP A 410 -0.485 -8.116 -2.731 1.00 0.07 C ATOM 1111 CG TRP A 410 -1.139 -8.317 -1.419 1.00 0.07 C ATOM 1112 CD1 TRP A 410 -1.318 -9.499 -0.825 1.00 0.08 C ATOM 1113 CD2 TRP A 410 -1.710 -7.334 -0.573 1.00 0.06 C ATOM 1114 NE1 TRP A 410 -2.012 -9.335 0.354 1.00 0.08 N ATOM 1115 CE2 TRP A 410 -2.260 -7.989 0.533 1.00 0.07 C ATOM 1116 CE3 TRP A 410 -1.810 -5.967 -0.664 1.00 0.06 C ATOM 1117 CZ2 TRP A 410 -2.916 -7.287 1.557 1.00 0.07 C ATOM 1118 CZ3 TRP A 410 -2.443 -5.267 0.325 1.00 0.07 C ATOM 1119 CH2 TRP A 410 -2.997 -5.921 1.431 1.00 0.07 C ATOM 0 H TRP A 410 2.001 -7.867 -4.104 1.00 0.06 H new ATOM 0 HA TRP A 410 0.170 -6.059 -2.681 1.00 0.06 H new ATOM 0 HB2 TRP A 410 -1.254 -7.861 -3.460 1.00 0.07 H new ATOM 0 HB3 TRP A 410 -0.051 -9.065 -3.045 1.00 0.07 H new ATOM 0 HD1 TRP A 410 -0.970 -10.445 -1.212 1.00 0.08 H new ATOM 0 HE1 TRP A 410 -2.295 -10.082 0.988 1.00 0.08 H new ATOM 0 HE3 TRP A 410 -1.390 -5.448 -1.513 1.00 0.06 H new ATOM 0 HZ2 TRP A 410 -3.339 -7.799 2.408 1.00 0.07 H new ATOM 0 HZ3 TRP A 410 -2.517 -4.192 0.251 1.00 0.07 H new ATOM 0 HH2 TRP A 410 -3.495 -5.344 2.196 1.00 0.07 H new ATOM 1130 N MET A 411 1.481 -6.361 -0.704 1.00 0.08 N ATOM 1131 CA MET A 411 2.247 -6.503 0.495 1.00 0.09 C ATOM 1132 C MET A 411 1.271 -6.696 1.644 1.00 0.12 C ATOM 1133 O MET A 411 0.757 -5.711 2.178 1.00 0.14 O ATOM 1134 CB MET A 411 3.106 -5.265 0.731 1.00 0.10 C ATOM 1135 CG MET A 411 3.836 -4.747 -0.502 1.00 0.09 C ATOM 1136 SD MET A 411 5.003 -5.930 -1.182 1.00 0.06 S ATOM 1137 CE MET A 411 5.887 -4.909 -2.354 1.00 0.06 C ATOM 0 H MET A 411 0.874 -5.542 -0.728 1.00 0.08 H new ATOM 0 HA MET A 411 2.918 -7.359 0.416 1.00 0.09 H new ATOM 0 HB2 MET A 411 2.471 -4.469 1.121 1.00 0.10 H new ATOM 0 HB3 MET A 411 3.842 -5.493 1.502 1.00 0.10 H new ATOM 0 HG2 MET A 411 3.104 -4.487 -1.267 1.00 0.09 H new ATOM 0 HG3 MET A 411 4.366 -3.830 -0.244 1.00 0.09 H new ATOM 0 HE1 MET A 411 5.476 -5.061 -3.352 1.00 0.06 H new ATOM 0 HE2 MET A 411 5.783 -3.861 -2.074 1.00 0.06 H new ATOM 0 HE3 MET A 411 6.942 -5.182 -2.351 1.00 0.06 H new ATOM 1147 N PRO A 412 0.944 -7.956 1.995 1.00 0.13 N ATOM 1148 CA PRO A 412 0.018 -8.250 3.085 1.00 0.19 C ATOM 1149 C PRO A 412 0.589 -7.847 4.428 1.00 0.25 C ATOM 1150 O PRO A 412 1.045 -8.686 5.204 1.00 0.50 O ATOM 1151 CB PRO A 412 -0.184 -9.764 3.015 1.00 0.24 C ATOM 1152 CG PRO A 412 1.030 -10.268 2.320 1.00 0.23 C ATOM 1153 CD PRO A 412 1.437 -9.186 1.357 1.00 0.16 C ATOM 0 HA PRO A 412 -0.915 -7.695 2.984 1.00 0.19 H new ATOM 0 HB2 PRO A 412 -0.281 -10.198 4.010 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -1.091 -10.019 2.466 1.00 0.24 H new ATOM 0 HG2 PRO A 412 1.828 -10.477 3.032 1.00 0.23 H new ATOM 0 HG3 PRO A 412 0.820 -11.199 1.794 1.00 0.23 H new ATOM 0 HD2 PRO A 412 2.518 -9.160 1.216 1.00 0.16 H new ATOM 0 HD3 PRO A 412 0.991 -9.335 0.374 1.00 0.16 H new ATOM 1237 N VAL A 418 -3.935 -2.254 7.385 1.00 0.32 N ATOM 1238 CA VAL A 418 -3.504 -1.687 6.106 1.00 0.26 C ATOM 1239 C VAL A 418 -2.842 -2.744 5.213 1.00 0.24 C ATOM 1240 O VAL A 418 -2.622 -3.880 5.629 1.00 0.27 O ATOM 1241 CB VAL A 418 -2.503 -0.531 6.361 1.00 0.25 C ATOM 1242 CG1 VAL A 418 -2.077 0.187 5.076 1.00 0.75 C ATOM 1243 CG2 VAL A 418 -3.103 0.455 7.333 1.00 0.75 C ATOM 0 HA VAL A 418 -4.389 -1.313 5.591 1.00 0.26 H new ATOM 0 HB VAL A 418 -1.601 -0.974 6.784 1.00 0.25 H new ATOM 0 HG11 VAL A 418 -1.376 0.985 5.320 1.00 0.75 H new ATOM 0 HG12 VAL A 418 -1.597 -0.524 4.404 1.00 0.75 H new ATOM 0 HG13 VAL A 418 -2.955 0.611 4.588 1.00 0.75 H new ATOM 0 HG21 VAL A 418 -2.397 1.266 7.510 1.00 0.75 H new ATOM 0 HG22 VAL A 418 -4.025 0.861 6.917 1.00 0.75 H new ATOM 0 HG23 VAL A 418 -3.321 -0.049 8.275 1.00 0.75 H new ATOM 1253 N GLY A 419 -2.547 -2.365 3.984 1.00 0.20 N ATOM 1254 CA GLY A 419 -1.750 -3.179 3.113 1.00 0.18 C ATOM 1255 C GLY A 419 -1.478 -2.454 1.837 1.00 0.14 C ATOM 1256 O GLY A 419 -2.395 -2.057 1.133 1.00 0.15 O ATOM 0 H GLY A 419 -2.856 -1.485 3.571 1.00 0.20 H new ATOM 0 HA2 GLY A 419 -0.810 -3.435 3.602 1.00 0.18 H new ATOM 0 HA3 GLY A 419 -2.267 -4.116 2.905 1.00 0.18 H new ATOM 1260 N ILE A 420 -0.222 -2.268 1.541 1.00 0.10 N ATOM 1261 CA ILE A 420 0.155 -1.564 0.346 1.00 0.08 C ATOM 1262 C ILE A 420 0.104 -2.505 -0.848 1.00 0.08 C ATOM 1263 O ILE A 420 0.464 -3.680 -0.740 1.00 0.09 O ATOM 1264 CB ILE A 420 1.580 -0.996 0.460 1.00 0.07 C ATOM 1265 CG1 ILE A 420 1.621 0.287 1.298 1.00 0.08 C ATOM 1266 CG2 ILE A 420 2.151 -0.747 -0.918 1.00 0.08 C ATOM 1267 CD1 ILE A 420 1.755 0.052 2.784 1.00 0.29 C ATOM 0 H ILE A 420 0.559 -2.594 2.111 1.00 0.10 H new ATOM 0 HA ILE A 420 -0.547 -0.741 0.212 1.00 0.08 H new ATOM 0 HB ILE A 420 2.192 -1.737 0.974 1.00 0.07 H new ATOM 0 HG12 ILE A 420 2.457 0.901 0.962 1.00 0.08 H new ATOM 0 HG13 ILE A 420 0.711 0.858 1.112 1.00 0.08 H new ATOM 0 HG21 ILE A 420 3.160 -0.345 -0.827 1.00 0.08 H new ATOM 0 HG22 ILE A 420 2.183 -1.684 -1.473 1.00 0.08 H new ATOM 0 HG23 ILE A 420 1.522 -0.032 -1.449 1.00 0.08 H new ATOM 0 HD11 ILE A 420 1.776 1.010 3.303 1.00 0.29 H new ATOM 0 HD12 ILE A 420 0.906 -0.534 3.138 1.00 0.29 H new ATOM 0 HD13 ILE A 420 2.679 -0.490 2.985 1.00 0.29 H new ATOM 1279 N HIS A 421 -0.347 -1.986 -1.980 1.00 0.07 N ATOM 1280 CA HIS A 421 -0.546 -2.815 -3.156 1.00 0.06 C ATOM 1281 C HIS A 421 -0.583 -1.982 -4.416 1.00 0.07 C ATOM 1282 O HIS A 421 -0.811 -0.778 -4.369 1.00 0.08 O ATOM 1283 CB HIS A 421 -1.862 -3.548 -3.021 1.00 0.06 C ATOM 1284 CG HIS A 421 -3.057 -2.671 -2.960 1.00 0.07 C ATOM 1285 ND1 HIS A 421 -3.637 -2.060 -4.042 1.00 0.08 N ATOM 1286 CD2 HIS A 421 -3.783 -2.318 -1.886 1.00 0.07 C ATOM 1287 CE1 HIS A 421 -4.680 -1.360 -3.598 1.00 0.09 C ATOM 1288 NE2 HIS A 421 -4.816 -1.483 -2.291 1.00 0.08 N ATOM 0 H HIS A 421 -0.580 -1.001 -2.108 1.00 0.07 H new ATOM 0 HA HIS A 421 0.286 -3.515 -3.227 1.00 0.06 H new ATOM 0 HB2 HIS A 421 -1.971 -4.229 -3.865 1.00 0.06 H new ATOM 0 HB3 HIS A 421 -1.831 -4.160 -2.119 1.00 0.06 H new ATOM 0 HD1 HIS A 421 -3.326 -2.129 -5.011 1.00 0.08 H new ATOM 0 HD2 HIS A 421 -3.594 -2.633 -0.871 1.00 0.07 H new ATOM 0 HE1 HIS A 421 -5.330 -0.769 -4.226 1.00 0.09 H new ATOM 1296 N ASP A 422 -0.380 -2.641 -5.543 1.00 0.07 N ATOM 1297 CA ASP A 422 -0.561 -2.010 -6.828 1.00 0.07 C ATOM 1298 C ASP A 422 -2.047 -2.048 -7.166 1.00 0.11 C ATOM 1299 O ASP A 422 -2.751 -2.951 -6.753 1.00 0.20 O ATOM 1300 CB ASP A 422 0.253 -2.746 -7.894 1.00 0.09 C ATOM 1301 CG ASP A 422 -0.560 -3.789 -8.642 1.00 0.65 C ATOM 1302 OD1 ASP A 422 -0.962 -4.797 -8.029 1.00 1.07 O1- ATOM 1303 OD2 ASP A 422 -0.814 -3.590 -9.848 1.00 0.80 O ATOM 0 H ASP A 422 -0.088 -3.617 -5.589 1.00 0.07 H new ATOM 0 HA ASP A 422 -0.214 -0.977 -6.797 1.00 0.07 H new ATOM 0 HB2 ASP A 422 0.649 -2.022 -8.606 1.00 0.09 H new ATOM 0 HB3 ASP A 422 1.108 -3.229 -7.422 1.00 0.09 H new ATOM 1308 N SER A 423 -2.530 -1.054 -7.868 1.00 0.09 N ATOM 1309 CA SER A 423 -3.953 -0.939 -8.125 1.00 0.11 C ATOM 1310 C SER A 423 -4.186 -0.651 -9.577 1.00 0.14 C ATOM 1311 O SER A 423 -4.145 0.489 -10.024 1.00 0.17 O ATOM 1312 CB SER A 423 -4.560 0.169 -7.259 1.00 0.14 C ATOM 1313 OG SER A 423 -5.915 0.384 -7.589 1.00 0.23 O ATOM 0 H SER A 423 -1.963 -0.310 -8.274 1.00 0.09 H new ATOM 0 HA SER A 423 -4.437 -1.882 -7.870 1.00 0.11 H new ATOM 0 HB2 SER A 423 -4.477 -0.101 -6.206 1.00 0.14 H new ATOM 0 HB3 SER A 423 -3.998 1.092 -7.397 1.00 0.14 H new ATOM 0 HG SER A 423 -6.281 1.095 -7.022 1.00 0.23 H new ATOM 1319 N ASP A 424 -4.467 -1.717 -10.300 1.00 0.16 N ATOM 1320 CA ASP A 424 -4.675 -1.638 -11.726 1.00 0.21 C ATOM 1321 C ASP A 424 -6.084 -1.151 -12.002 1.00 0.24 C ATOM 1322 O ASP A 424 -6.424 -0.721 -13.102 1.00 0.27 O ATOM 1323 CB ASP A 424 -4.425 -3.005 -12.351 1.00 0.24 C ATOM 1324 CG ASP A 424 -4.944 -3.122 -13.770 1.00 0.32 C ATOM 1325 OD1 ASP A 424 -4.330 -2.526 -14.680 1.00 0.42 O1- ATOM 1326 OD2 ASP A 424 -5.978 -3.795 -13.981 1.00 0.37 O ATOM 0 H ASP A 424 -4.557 -2.657 -9.914 1.00 0.16 H new ATOM 0 HA ASP A 424 -3.977 -0.929 -12.171 1.00 0.21 H new ATOM 0 HB2 ASP A 424 -3.354 -3.208 -12.346 1.00 0.24 H new ATOM 0 HB3 ASP A 424 -4.898 -3.770 -11.735 1.00 0.24 H new ATOM 1386 N GLU A 428 -6.885 6.702 -10.916 1.00 0.31 N ATOM 1387 CA GLU A 428 -6.379 7.917 -10.344 1.00 0.22 C ATOM 1388 C GLU A 428 -5.420 7.689 -9.198 1.00 0.21 C ATOM 1389 O GLU A 428 -5.472 6.685 -8.488 1.00 0.29 O ATOM 1390 CB GLU A 428 -7.506 8.757 -9.805 1.00 0.34 C ATOM 1391 CG GLU A 428 -8.411 8.009 -8.878 1.00 1.11 C ATOM 1392 CD GLU A 428 -9.485 7.199 -9.566 1.00 1.56 C ATOM 1393 OE1 GLU A 428 -9.939 7.622 -10.644 1.00 1.48 O ATOM 1394 OE2 GLU A 428 -9.860 6.133 -9.049 1.00 2.16 O1- ATOM 0 HA GLU A 428 -5.850 8.415 -11.157 1.00 0.22 H new ATOM 0 HB2 GLU A 428 -7.090 9.617 -9.280 1.00 0.34 H new ATOM 0 HB3 GLU A 428 -8.091 9.145 -10.639 1.00 0.34 H new ATOM 0 HG2 GLU A 428 -7.808 7.341 -8.263 1.00 1.11 H new ATOM 0 HG3 GLU A 428 -8.887 8.720 -8.203 1.00 1.11 H new ATOM 1401 N TYR A 429 -4.563 8.680 -9.046 1.00 0.17 N ATOM 1402 CA TYR A 429 -3.626 8.805 -7.949 1.00 0.14 C ATOM 1403 C TYR A 429 -3.189 10.235 -7.952 1.00 0.17 C ATOM 1404 O TYR A 429 -2.809 10.781 -8.991 1.00 0.21 O ATOM 1405 CB TYR A 429 -2.364 7.940 -8.007 1.00 0.12 C ATOM 1406 CG TYR A 429 -2.542 6.561 -8.565 1.00 0.13 C ATOM 1407 CD1 TYR A 429 -2.767 6.368 -9.920 1.00 0.18 C ATOM 1408 CD2 TYR A 429 -2.472 5.454 -7.742 1.00 0.15 C ATOM 1409 CE1 TYR A 429 -2.926 5.108 -10.438 1.00 0.25 C ATOM 1410 CE2 TYR A 429 -2.631 4.186 -8.253 1.00 0.20 C ATOM 1411 CZ TYR A 429 -2.859 4.021 -9.602 1.00 0.25 C ATOM 1412 OH TYR A 429 -3.007 2.766 -10.120 1.00 0.33 O ATOM 0 H TYR A 429 -4.499 9.451 -9.711 1.00 0.17 H new ATOM 0 HA TYR A 429 -4.151 8.464 -7.057 1.00 0.14 H new ATOM 0 HB2 TYR A 429 -1.617 8.460 -8.607 1.00 0.12 H new ATOM 0 HB3 TYR A 429 -1.959 7.854 -6.999 1.00 0.12 H new ATOM 0 HD1 TYR A 429 -2.818 7.223 -10.577 1.00 0.18 H new ATOM 0 HD2 TYR A 429 -2.290 5.585 -6.685 1.00 0.15 H new ATOM 0 HE1 TYR A 429 -3.102 4.972 -11.495 1.00 0.25 H new ATOM 0 HE2 TYR A 429 -2.577 3.326 -7.601 1.00 0.20 H new ATOM 0 HH TYR A 429 -3.638 2.257 -9.569 1.00 0.33 H new ATOM 1422 N GLY A 430 -3.270 10.842 -6.824 1.00 0.15 N ATOM 1423 CA GLY A 430 -2.907 12.228 -6.722 1.00 0.17 C ATOM 1424 C GLY A 430 -3.334 12.783 -5.414 1.00 0.17 C ATOM 1425 O GLY A 430 -3.469 12.029 -4.450 1.00 0.16 O ATOM 0 H GLY A 430 -3.583 10.411 -5.954 1.00 0.15 H new ATOM 0 HA2 GLY A 430 -1.828 12.337 -6.835 1.00 0.17 H new ATOM 0 HA3 GLY A 430 -3.371 12.792 -7.532 1.00 0.17 H new ATOM 1429 N GLY A 431 -3.477 14.097 -5.353 1.00 0.19 N ATOM 1430 CA GLY A 431 -4.136 14.704 -4.222 1.00 0.21 C ATOM 1431 C GLY A 431 -5.396 13.978 -3.861 1.00 0.19 C ATOM 1432 O GLY A 431 -5.882 13.121 -4.604 1.00 0.18 O ATOM 0 H GLY A 431 -3.149 14.750 -6.064 1.00 0.19 H new ATOM 0 HA2 GLY A 431 -3.461 14.709 -3.366 1.00 0.21 H new ATOM 0 HA3 GLY A 431 -4.368 15.744 -4.451 1.00 0.21 H new ATOM 1436 N ASP A 432 -5.981 14.404 -2.785 1.00 0.21 N ATOM 1437 CA ASP A 432 -6.835 13.555 -1.999 1.00 0.21 C ATOM 1438 C ASP A 432 -7.927 12.864 -2.808 1.00 0.18 C ATOM 1439 O ASP A 432 -8.946 13.433 -3.193 1.00 0.23 O ATOM 1440 CB ASP A 432 -7.437 14.411 -0.901 1.00 0.25 C ATOM 1441 CG ASP A 432 -8.284 15.567 -1.414 1.00 1.10 C ATOM 1442 OD1 ASP A 432 -7.711 16.550 -1.935 1.00 1.14 O ATOM 1443 OD2 ASP A 432 -9.521 15.517 -1.272 1.00 1.85 O1- ATOM 0 H ASP A 432 -5.882 15.352 -2.422 1.00 0.21 H new ATOM 0 HA ASP A 432 -6.234 12.743 -1.590 1.00 0.21 H new ATOM 0 HB2 ASP A 432 -8.051 13.781 -0.258 1.00 0.25 H new ATOM 0 HB3 ASP A 432 -6.633 14.809 -0.282 1.00 0.25 H new ATOM 1448 N LEU A 433 -7.640 11.590 -3.071 1.00 0.14 N ATOM 1449 CA LEU A 433 -8.587 10.654 -3.637 1.00 0.13 C ATOM 1450 C LEU A 433 -9.234 9.847 -2.531 1.00 0.12 C ATOM 1451 O LEU A 433 -10.398 9.530 -2.583 1.00 0.14 O ATOM 1452 CB LEU A 433 -7.905 9.674 -4.602 1.00 0.15 C ATOM 1453 CG LEU A 433 -7.705 10.087 -6.036 1.00 0.39 C ATOM 1454 CD1 LEU A 433 -8.181 11.470 -6.311 1.00 1.21 C ATOM 1455 CD2 LEU A 433 -6.291 9.896 -6.417 1.00 1.08 C ATOM 0 H LEU A 433 -6.724 11.180 -2.890 1.00 0.14 H new ATOM 0 HA LEU A 433 -9.331 11.235 -4.183 1.00 0.13 H new ATOM 0 HB2 LEU A 433 -6.926 9.432 -4.189 1.00 0.15 H new ATOM 0 HB3 LEU A 433 -8.487 8.753 -4.602 1.00 0.15 H new ATOM 0 HG LEU A 433 -8.324 9.443 -6.661 1.00 0.39 H new ATOM 0 HD11 LEU A 433 -8.011 11.712 -7.360 1.00 1.21 H new ATOM 0 HD12 LEU A 433 -9.246 11.539 -6.091 1.00 1.21 H new ATOM 0 HD13 LEU A 433 -7.635 12.174 -5.683 1.00 1.21 H new ATOM 0 HD21 LEU A 433 -6.150 10.196 -7.455 1.00 1.08 H new ATOM 0 HD22 LEU A 433 -5.655 10.505 -5.774 1.00 1.08 H new ATOM 0 HD23 LEU A 433 -6.022 8.846 -6.303 1.00 1.08 H new ATOM 1467 N TRP A 434 -8.435 9.508 -1.533 1.00 0.10 N ATOM 1468 CA TRP A 434 -8.833 8.568 -0.485 1.00 0.10 C ATOM 1469 C TRP A 434 -10.136 8.968 0.187 1.00 0.11 C ATOM 1470 O TRP A 434 -10.867 8.127 0.694 1.00 0.15 O ATOM 1471 CB TRP A 434 -7.703 8.451 0.542 1.00 0.10 C ATOM 1472 CG TRP A 434 -7.401 9.742 1.201 1.00 0.10 C ATOM 1473 CD1 TRP A 434 -6.526 10.698 0.783 1.00 0.11 C ATOM 1474 CD2 TRP A 434 -8.001 10.226 2.392 1.00 0.12 C ATOM 1475 NE1 TRP A 434 -6.601 11.785 1.619 1.00 0.13 N ATOM 1476 CE2 TRP A 434 -7.489 11.506 2.627 1.00 0.13 C ATOM 1477 CE3 TRP A 434 -8.941 9.702 3.277 1.00 0.13 C ATOM 1478 CZ2 TRP A 434 -7.896 12.270 3.708 1.00 0.16 C ATOM 1479 CZ3 TRP A 434 -9.336 10.459 4.347 1.00 0.14 C ATOM 1480 CH2 TRP A 434 -8.819 11.734 4.552 1.00 0.16 C ATOM 0 H TRP A 434 -7.490 9.874 -1.422 1.00 0.10 H new ATOM 0 HA TRP A 434 -9.011 7.598 -0.949 1.00 0.10 H new ATOM 0 HB2 TRP A 434 -7.978 7.716 1.298 1.00 0.10 H new ATOM 0 HB3 TRP A 434 -6.805 8.080 0.049 1.00 0.10 H new ATOM 0 HD1 TRP A 434 -5.874 10.614 -0.074 1.00 0.11 H new ATOM 0 HE1 TRP A 434 -6.082 12.656 1.509 1.00 0.13 H new ATOM 0 HE3 TRP A 434 -9.351 8.715 3.121 1.00 0.13 H new ATOM 0 HZ2 TRP A 434 -7.494 13.258 3.876 1.00 0.16 H new ATOM 0 HZ3 TRP A 434 -10.060 10.060 5.042 1.00 0.14 H new ATOM 0 HH2 TRP A 434 -9.158 12.311 5.400 1.00 0.16 H new ATOM 1491 N LYS A 435 -10.418 10.259 0.185 1.00 0.12 N ATOM 1492 CA LYS A 435 -11.595 10.779 0.842 1.00 0.14 C ATOM 1493 C LYS A 435 -12.799 10.813 -0.067 1.00 0.17 C ATOM 1494 O LYS A 435 -13.932 10.647 0.374 1.00 0.20 O ATOM 1495 CB LYS A 435 -11.296 12.173 1.355 1.00 0.15 C ATOM 1496 CG LYS A 435 -9.956 12.654 0.895 1.00 0.15 C ATOM 1497 CD LYS A 435 -9.597 13.979 1.474 1.00 0.17 C ATOM 1498 CE LYS A 435 -10.196 14.193 2.835 1.00 0.18 C ATOM 1499 NZ LYS A 435 -9.829 15.512 3.415 1.00 0.22 N1+ ATOM 0 H LYS A 435 -9.841 10.967 -0.269 1.00 0.12 H new ATOM 0 HA LYS A 435 -11.841 10.110 1.667 1.00 0.14 H new ATOM 0 HB2 LYS A 435 -12.068 12.861 1.011 1.00 0.15 H new ATOM 0 HB3 LYS A 435 -11.330 12.175 2.444 1.00 0.15 H new ATOM 0 HG2 LYS A 435 -9.196 11.923 1.171 1.00 0.15 H new ATOM 0 HG3 LYS A 435 -9.952 12.723 -0.193 1.00 0.15 H new ATOM 0 HD2 LYS A 435 -8.512 14.061 1.541 1.00 0.17 H new ATOM 0 HD3 LYS A 435 -9.935 14.769 0.803 1.00 0.17 H new ATOM 0 HE2 LYS A 435 -11.281 14.118 2.767 1.00 0.18 H new ATOM 0 HE3 LYS A 435 -9.863 13.400 3.504 1.00 0.18 H new ATOM 0 HZ1 LYS A 435 -10.266 15.612 4.353 1.00 0.22 H new ATOM 0 HZ2 LYS A 435 -8.795 15.576 3.506 1.00 0.22 H new ATOM 0 HZ3 LYS A 435 -10.169 16.272 2.792 1.00 0.22 H new ATOM 1513 N THR A 436 -12.538 11.065 -1.320 1.00 0.16 N ATOM 1514 CA THR A 436 -13.590 11.190 -2.314 1.00 0.19 C ATOM 1515 C THR A 436 -13.852 9.853 -2.996 1.00 0.19 C ATOM 1516 O THR A 436 -14.997 9.449 -3.209 1.00 0.22 O ATOM 1517 CB THR A 436 -13.182 12.254 -3.352 1.00 0.23 C ATOM 1518 OG1 THR A 436 -12.405 11.677 -4.405 1.00 0.25 O ATOM 1519 CG2 THR A 436 -12.340 13.306 -2.674 1.00 0.21 C ATOM 0 H THR A 436 -11.595 11.191 -1.689 1.00 0.16 H new ATOM 0 HA THR A 436 -14.512 11.498 -1.821 1.00 0.19 H new ATOM 0 HB THR A 436 -14.091 12.685 -3.772 1.00 0.23 H new ATOM 0 HG1 THR A 436 -12.161 12.373 -5.050 1.00 0.25 H new ATOM 0 HG21 THR A 436 -12.047 14.063 -3.402 1.00 0.21 H new ATOM 0 HG22 THR A 436 -12.916 13.774 -1.876 1.00 0.21 H new ATOM 0 HG23 THR A 436 -11.448 12.842 -2.254 1.00 0.21 H new ATOM 1527 N ARG A 437 -12.772 9.168 -3.310 1.00 0.18 N ATOM 1528 CA ARG A 437 -12.813 7.898 -4.010 1.00 0.20 C ATOM 1529 C ARG A 437 -12.803 6.751 -3.011 1.00 0.20 C ATOM 1530 O ARG A 437 -13.170 5.623 -3.344 1.00 0.24 O ATOM 1531 CB ARG A 437 -11.591 7.835 -4.920 1.00 0.24 C ATOM 1532 CG ARG A 437 -11.185 9.173 -5.401 1.00 0.27 C ATOM 1533 CD ARG A 437 -10.510 9.090 -6.728 1.00 0.40 C ATOM 1534 NE ARG A 437 -11.464 9.087 -7.830 1.00 0.71 N ATOM 1535 CZ ARG A 437 -11.431 9.942 -8.856 1.00 1.26 C ATOM 1536 NH1 ARG A 437 -10.486 10.873 -8.925 1.00 1.82 N1+ ATOM 1537 NH2 ARG A 437 -12.345 9.870 -9.811 1.00 1.47 N ATOM 0 H ARG A 437 -11.828 9.481 -3.084 1.00 0.18 H new ATOM 0 HA ARG A 437 -13.724 7.811 -4.601 1.00 0.20 H new ATOM 0 HB2 ARG A 437 -10.762 7.377 -4.381 1.00 0.24 H new ATOM 0 HB3 ARG A 437 -11.809 7.194 -5.774 1.00 0.24 H new ATOM 0 HG2 ARG A 437 -12.062 9.816 -5.476 1.00 0.27 H new ATOM 0 HG3 ARG A 437 -10.513 9.634 -4.677 1.00 0.27 H new ATOM 0 HD2 ARG A 437 -9.829 9.934 -6.841 1.00 0.40 H new ATOM 0 HD3 ARG A 437 -9.905 8.184 -6.770 1.00 0.40 H new ATOM 0 HE ARG A 437 -12.205 8.386 -7.817 1.00 0.71 H new ATOM 0 HH11 ARG A 437 -9.780 10.938 -8.192 1.00 1.82 H new ATOM 0 HH12 ARG A 437 -10.467 11.523 -9.711 1.00 1.82 H new ATOM 0 HH21 ARG A 437 -13.076 9.161 -9.764 1.00 1.47 H new ATOM 0 HH22 ARG A 437 -12.318 10.524 -10.593 1.00 1.47 H new ATOM 1551 N GLY A 438 -12.384 7.062 -1.787 1.00 0.17 N ATOM 1552 CA GLY A 438 -12.677 6.226 -0.641 1.00 0.18 C ATOM 1553 C GLY A 438 -12.308 4.758 -0.781 1.00 0.21 C ATOM 1554 O GLY A 438 -13.154 3.898 -0.522 1.00 0.24 O ATOM 0 H GLY A 438 -11.837 7.895 -1.569 1.00 0.17 H new ATOM 0 HA2 GLY A 438 -12.153 6.632 0.224 1.00 0.18 H new ATOM 0 HA3 GLY A 438 -13.744 6.294 -0.429 1.00 0.18 H new ATOM 1558 N SER A 439 -11.089 4.435 -1.187 1.00 0.22 N ATOM 1559 CA SER A 439 -10.778 3.036 -1.439 1.00 0.27 C ATOM 1560 C SER A 439 -10.424 2.305 -0.143 1.00 0.27 C ATOM 1561 O SER A 439 -9.371 2.540 0.446 1.00 0.27 O ATOM 1562 CB SER A 439 -9.616 2.900 -2.426 1.00 0.31 C ATOM 1563 OG SER A 439 -9.845 3.639 -3.617 1.00 1.01 O ATOM 0 H SER A 439 -10.326 5.093 -1.344 1.00 0.22 H new ATOM 0 HA SER A 439 -11.670 2.583 -1.871 1.00 0.27 H new ATOM 0 HB2 SER A 439 -8.696 3.247 -1.955 1.00 0.31 H new ATOM 0 HB3 SER A 439 -9.471 1.848 -2.673 1.00 0.31 H new ATOM 0 HG SER A 439 -9.082 3.529 -4.222 1.00 1.01 H new ATOM 1569 N HIS A 440 -11.323 1.392 0.252 1.00 0.29 N ATOM 1570 CA HIS A 440 -11.173 0.544 1.444 1.00 0.32 C ATOM 1571 C HIS A 440 -10.451 1.243 2.602 1.00 0.28 C ATOM 1572 O HIS A 440 -10.897 2.283 3.088 1.00 0.34 O ATOM 1573 CB HIS A 440 -10.461 -0.767 1.099 1.00 0.36 C ATOM 1574 CG HIS A 440 -11.303 -1.756 0.359 1.00 0.40 C ATOM 1575 ND1 HIS A 440 -12.540 -2.170 0.803 1.00 0.45 N ATOM 1576 CD2 HIS A 440 -11.075 -2.425 -0.797 1.00 0.42 C ATOM 1577 CE1 HIS A 440 -13.037 -3.048 -0.044 1.00 0.50 C ATOM 1578 NE2 HIS A 440 -12.171 -3.221 -1.026 1.00 0.48 N ATOM 0 H HIS A 440 -12.190 1.219 -0.257 1.00 0.29 H new ATOM 0 HA HIS A 440 -12.186 0.330 1.785 1.00 0.32 H new ATOM 0 HB2 HIS A 440 -9.579 -0.540 0.500 1.00 0.36 H new ATOM 0 HB3 HIS A 440 -10.109 -1.228 2.022 1.00 0.36 H new ATOM 0 HD2 HIS A 440 -10.197 -2.347 -1.421 1.00 0.42 H new ATOM 0 HE1 HIS A 440 -13.992 -3.543 0.049 1.00 0.50 H new ATOM 0 HE2 HIS A 440 -12.296 -3.844 -1.824 1.00 0.48 H new ATOM 1587 N GLY A 441 -9.328 0.665 3.028 1.00 0.23 N ATOM 1588 CA GLY A 441 -8.632 1.160 4.197 1.00 0.22 C ATOM 1589 C GLY A 441 -7.145 1.365 3.981 1.00 0.17 C ATOM 1590 O GLY A 441 -6.504 2.075 4.756 1.00 0.26 O ATOM 0 H GLY A 441 -8.890 -0.140 2.580 1.00 0.23 H new ATOM 0 HA2 GLY A 441 -9.080 2.106 4.502 1.00 0.22 H new ATOM 0 HA3 GLY A 441 -8.777 0.459 5.019 1.00 0.22 H new ATOM 1594 N CYS A 442 -6.581 0.740 2.949 1.00 0.10 N ATOM 1595 CA CYS A 442 -5.149 0.804 2.731 1.00 0.15 C ATOM 1596 C CYS A 442 -4.765 1.756 1.607 1.00 0.13 C ATOM 1597 O CYS A 442 -5.536 2.620 1.211 1.00 0.21 O ATOM 1598 CB CYS A 442 -4.578 -0.573 2.427 1.00 0.24 C ATOM 1599 SG CYS A 442 -5.236 -1.307 0.918 1.00 0.35 S ATOM 0 H CYS A 442 -7.094 0.190 2.260 1.00 0.10 H new ATOM 0 HA CYS A 442 -4.725 1.186 3.660 1.00 0.15 H new ATOM 0 HB2 CYS A 442 -3.494 -0.497 2.342 1.00 0.24 H new ATOM 0 HB3 CYS A 442 -4.787 -1.237 3.266 1.00 0.24 H new ATOM 0 HG CYS A 442 -4.864 -2.550 0.842 1.00 0.35 H new ATOM 1604 N ILE A 443 -3.518 1.634 1.166 1.00 0.09 N ATOM 1605 CA ILE A 443 -2.952 2.510 0.154 1.00 0.07 C ATOM 1606 C ILE A 443 -3.060 1.881 -1.228 1.00 0.08 C ATOM 1607 O ILE A 443 -2.728 0.712 -1.415 1.00 0.12 O ATOM 1608 CB ILE A 443 -1.468 2.822 0.459 1.00 0.07 C ATOM 1609 CG1 ILE A 443 -1.311 3.776 1.656 1.00 0.09 C ATOM 1610 CG2 ILE A 443 -0.769 3.412 -0.766 1.00 0.07 C ATOM 1611 CD1 ILE A 443 -1.675 3.193 3.008 1.00 0.11 C ATOM 0 H ILE A 443 -2.871 0.921 1.503 1.00 0.09 H new ATOM 0 HA ILE A 443 -3.521 3.439 0.170 1.00 0.07 H new ATOM 0 HB ILE A 443 -0.996 1.874 0.719 1.00 0.07 H new ATOM 0 HG12 ILE A 443 -0.276 4.117 1.693 1.00 0.09 H new ATOM 0 HG13 ILE A 443 -1.930 4.656 1.481 1.00 0.09 H new ATOM 0 HG21 ILE A 443 0.273 3.622 -0.524 1.00 0.07 H new ATOM 0 HG22 ILE A 443 -0.814 2.699 -1.589 1.00 0.07 H new ATOM 0 HG23 ILE A 443 -1.267 4.336 -1.059 1.00 0.07 H new ATOM 0 HD11 ILE A 443 -1.528 3.947 3.781 1.00 0.11 H new ATOM 0 HD12 ILE A 443 -2.719 2.880 3.000 1.00 0.11 H new ATOM 0 HD13 ILE A 443 -1.039 2.332 3.216 1.00 0.11 H new ATOM 1623 N ASN A 444 -3.522 2.666 -2.186 1.00 0.08 N ATOM 1624 CA ASN A 444 -3.680 2.191 -3.555 1.00 0.08 C ATOM 1625 C ASN A 444 -2.560 2.733 -4.434 1.00 0.07 C ATOM 1626 O ASN A 444 -2.600 3.879 -4.878 1.00 0.11 O ATOM 1627 CB ASN A 444 -5.042 2.596 -4.118 1.00 0.11 C ATOM 1628 CG ASN A 444 -6.192 1.716 -3.648 1.00 0.27 C ATOM 1629 OD1 ASN A 444 -7.182 1.537 -4.365 1.00 0.62 O ATOM 1630 ND2 ASN A 444 -6.073 1.144 -2.459 1.00 0.15 N ATOM 0 H ASN A 444 -3.796 3.638 -2.043 1.00 0.08 H new ATOM 0 HA ASN A 444 -3.625 1.102 -3.548 1.00 0.08 H new ATOM 0 HB2 ASN A 444 -5.248 3.628 -3.835 1.00 0.11 H new ATOM 0 HB3 ASN A 444 -4.997 2.567 -5.207 1.00 0.11 H new ATOM 0 HD21 ASN A 444 -6.813 0.534 -2.110 1.00 0.15 H new ATOM 0 HD22 ASN A 444 -5.242 1.313 -1.892 1.00 0.15 H new ATOM 1637 N THR A 445 -1.553 1.908 -4.639 1.00 0.08 N ATOM 1638 CA THR A 445 -0.371 2.259 -5.381 1.00 0.08 C ATOM 1639 C THR A 445 -0.449 1.870 -6.858 1.00 0.08 C ATOM 1640 O THR A 445 -0.964 0.831 -7.218 1.00 0.10 O ATOM 1641 CB THR A 445 0.805 1.557 -4.719 1.00 0.06 C ATOM 1642 OG1 THR A 445 0.679 1.623 -3.291 1.00 0.09 O ATOM 1643 CG2 THR A 445 2.080 2.198 -5.123 1.00 0.06 C ATOM 0 H THR A 445 -1.539 0.952 -4.283 1.00 0.08 H new ATOM 0 HA THR A 445 -0.259 3.343 -5.364 1.00 0.08 H new ATOM 0 HB THR A 445 0.806 0.515 -5.038 1.00 0.06 H new ATOM 0 HG1 THR A 445 1.544 1.860 -2.897 1.00 0.09 H new ATOM 0 HG21 THR A 445 2.913 1.686 -4.642 1.00 0.06 H new ATOM 0 HG22 THR A 445 2.192 2.135 -6.205 1.00 0.06 H new ATOM 0 HG23 THR A 445 2.073 3.245 -4.819 1.00 0.06 H new ATOM 1651 N PRO A 446 0.059 2.753 -7.723 1.00 0.08 N ATOM 1652 CA PRO A 446 0.104 2.564 -9.180 1.00 0.10 C ATOM 1653 C PRO A 446 0.711 1.278 -9.645 1.00 0.14 C ATOM 1654 O PRO A 446 1.742 0.855 -9.126 1.00 0.24 O ATOM 1655 CB PRO A 446 0.982 3.711 -9.652 1.00 0.10 C ATOM 1656 CG PRO A 446 0.809 4.767 -8.635 1.00 0.08 C ATOM 1657 CD PRO A 446 0.591 4.063 -7.335 1.00 0.07 C ATOM 0 HA PRO A 446 -0.912 2.539 -9.574 1.00 0.10 H new ATOM 0 HB2 PRO A 446 2.025 3.404 -9.729 1.00 0.10 H new ATOM 0 HB3 PRO A 446 0.679 4.060 -10.639 1.00 0.10 H new ATOM 0 HG2 PRO A 446 1.689 5.409 -8.587 1.00 0.08 H new ATOM 0 HG3 PRO A 446 -0.040 5.406 -8.878 1.00 0.08 H new ATOM 0 HD2 PRO A 446 1.520 3.966 -6.774 1.00 0.07 H new ATOM 0 HD3 PRO A 446 -0.109 4.606 -6.700 1.00 0.07 H new ATOM 1665 N PRO A 447 0.095 0.625 -10.602 1.00 0.12 N ATOM 1666 CA PRO A 447 0.450 -0.735 -10.930 1.00 0.12 C ATOM 1667 C PRO A 447 1.930 -0.860 -11.286 1.00 0.14 C ATOM 1668 O PRO A 447 2.615 -1.788 -10.819 1.00 0.31 O ATOM 1669 CB PRO A 447 -0.445 -1.044 -12.114 1.00 0.15 C ATOM 1670 CG PRO A 447 -1.582 -0.116 -11.954 1.00 0.14 C ATOM 1671 CD PRO A 447 -0.966 1.141 -11.470 1.00 0.13 C ATOM 0 HA PRO A 447 0.310 -1.428 -10.100 1.00 0.12 H new ATOM 0 HB2 PRO A 447 0.073 -0.881 -13.059 1.00 0.15 H new ATOM 0 HB3 PRO A 447 -0.774 -2.083 -12.105 1.00 0.15 H new ATOM 0 HG2 PRO A 447 -2.107 0.036 -12.897 1.00 0.14 H new ATOM 0 HG3 PRO A 447 -2.312 -0.501 -11.242 1.00 0.14 H new ATOM 0 HD2 PRO A 447 -0.571 1.746 -12.286 1.00 0.13 H new ATOM 0 HD3 PRO A 447 -1.676 1.764 -10.926 1.00 0.13 H new ATOM 1679 N SER A 448 2.432 0.138 -11.997 1.00 0.12 N ATOM 1680 CA SER A 448 3.808 0.162 -12.459 1.00 0.11 C ATOM 1681 C SER A 448 4.832 0.172 -11.313 1.00 0.09 C ATOM 1682 O SER A 448 5.975 -0.221 -11.480 1.00 0.09 O ATOM 1683 CB SER A 448 4.004 1.395 -13.330 1.00 0.14 C ATOM 1684 OG SER A 448 3.049 1.423 -14.380 1.00 1.10 O ATOM 0 H SER A 448 1.891 0.958 -12.270 1.00 0.12 H new ATOM 0 HA SER A 448 3.983 -0.755 -13.022 1.00 0.11 H new ATOM 0 HB2 SER A 448 3.910 2.295 -12.722 1.00 0.14 H new ATOM 0 HB3 SER A 448 5.011 1.396 -13.747 1.00 0.14 H new ATOM 0 HG SER A 448 3.189 2.223 -14.928 1.00 1.10 H new ATOM 1690 N VAL A 449 4.437 0.669 -10.149 1.00 0.07 N ATOM 1691 CA VAL A 449 5.406 0.931 -9.098 1.00 0.06 C ATOM 1692 C VAL A 449 5.470 -0.164 -8.073 1.00 0.05 C ATOM 1693 O VAL A 449 6.536 -0.633 -7.740 1.00 0.05 O ATOM 1694 CB VAL A 449 5.116 2.269 -8.439 1.00 0.06 C ATOM 1695 CG1 VAL A 449 5.136 3.338 -9.492 1.00 0.08 C ATOM 1696 CG2 VAL A 449 3.798 2.230 -7.728 1.00 0.06 C ATOM 0 H VAL A 449 3.471 0.895 -9.912 1.00 0.07 H new ATOM 0 HA VAL A 449 6.387 0.966 -9.572 1.00 0.06 H new ATOM 0 HB VAL A 449 5.879 2.488 -7.692 1.00 0.06 H new ATOM 0 HG11 VAL A 449 4.929 4.305 -9.033 1.00 0.08 H new ATOM 0 HG12 VAL A 449 6.117 3.364 -9.966 1.00 0.08 H new ATOM 0 HG13 VAL A 449 4.376 3.123 -10.243 1.00 0.08 H new ATOM 0 HG21 VAL A 449 3.607 3.197 -7.262 1.00 0.06 H new ATOM 0 HG22 VAL A 449 3.005 2.009 -8.443 1.00 0.06 H new ATOM 0 HG23 VAL A 449 3.821 1.456 -6.961 1.00 0.06 H new ATOM 1706 N MET A 450 4.351 -0.605 -7.585 1.00 0.05 N ATOM 1707 CA MET A 450 4.370 -1.647 -6.582 1.00 0.05 C ATOM 1708 C MET A 450 4.868 -2.949 -7.183 1.00 0.05 C ATOM 1709 O MET A 450 5.037 -3.943 -6.480 1.00 0.06 O ATOM 1710 CB MET A 450 3.013 -1.794 -5.911 1.00 0.07 C ATOM 1711 CG MET A 450 2.972 -1.300 -4.468 1.00 0.06 C ATOM 1712 SD MET A 450 3.246 -2.602 -3.245 1.00 0.06 S ATOM 1713 CE MET A 450 2.945 -4.062 -4.211 1.00 0.05 C ATOM 0 H MET A 450 3.425 -0.273 -7.853 1.00 0.05 H new ATOM 0 HA MET A 450 5.070 -1.363 -5.796 1.00 0.05 H new ATOM 0 HB2 MET A 450 2.272 -1.246 -6.492 1.00 0.07 H new ATOM 0 HB3 MET A 450 2.722 -2.844 -5.932 1.00 0.07 H new ATOM 0 HG2 MET A 450 3.728 -0.526 -4.337 1.00 0.06 H new ATOM 0 HG3 MET A 450 2.004 -0.835 -4.280 1.00 0.06 H new ATOM 0 HE1 MET A 450 2.849 -4.923 -3.549 1.00 0.05 H new ATOM 0 HE2 MET A 450 2.024 -3.938 -4.781 1.00 0.05 H new ATOM 0 HE3 MET A 450 3.777 -4.223 -4.897 1.00 0.05 H new ATOM 1723 N LYS A 451 5.150 -2.937 -8.467 1.00 0.05 N ATOM 1724 CA LYS A 451 5.758 -4.085 -9.084 1.00 0.05 C ATOM 1725 C LYS A 451 7.248 -4.047 -8.797 1.00 0.05 C ATOM 1726 O LYS A 451 7.893 -5.053 -8.490 1.00 0.06 O ATOM 1727 CB LYS A 451 5.520 -4.071 -10.574 1.00 0.06 C ATOM 1728 CG LYS A 451 6.284 -3.008 -11.223 1.00 0.06 C ATOM 1729 CD LYS A 451 6.054 -2.980 -12.689 1.00 0.08 C ATOM 1730 CE LYS A 451 7.115 -2.157 -13.346 1.00 0.10 C ATOM 1731 NZ LYS A 451 8.341 -2.943 -13.651 1.00 0.92 N1+ ATOM 0 H LYS A 451 4.969 -2.153 -9.094 1.00 0.05 H new ATOM 0 HA LYS A 451 5.319 -4.997 -8.679 1.00 0.05 H new ATOM 0 HB2 LYS A 451 5.801 -5.035 -10.998 1.00 0.06 H new ATOM 0 HB3 LYS A 451 4.457 -3.932 -10.774 1.00 0.06 H new ATOM 0 HG2 LYS A 451 6.006 -2.046 -10.793 1.00 0.06 H new ATOM 0 HG3 LYS A 451 7.346 -3.151 -11.024 1.00 0.06 H new ATOM 0 HD2 LYS A 451 6.066 -3.994 -13.089 1.00 0.08 H new ATOM 0 HD3 LYS A 451 5.070 -2.564 -12.905 1.00 0.08 H new ATOM 0 HE2 LYS A 451 6.721 -1.732 -14.269 1.00 0.10 H new ATOM 0 HE3 LYS A 451 7.376 -1.321 -12.697 1.00 0.10 H new ATOM 0 HZ1 LYS A 451 9.045 -2.326 -14.105 1.00 0.92 H new ATOM 0 HZ2 LYS A 451 8.735 -3.327 -12.769 1.00 0.92 H new ATOM 0 HZ3 LYS A 451 8.101 -3.726 -14.293 1.00 0.92 H new ATOM 1745 N GLU A 452 7.743 -2.807 -8.849 1.00 0.05 N ATOM 1746 CA GLU A 452 9.115 -2.466 -8.669 1.00 0.05 C ATOM 1747 C GLU A 452 9.471 -2.887 -7.306 1.00 0.05 C ATOM 1748 O GLU A 452 10.509 -3.459 -7.029 1.00 0.06 O ATOM 1749 CB GLU A 452 9.200 -0.966 -8.724 1.00 0.05 C ATOM 1750 CG GLU A 452 8.784 -0.384 -10.029 1.00 0.07 C ATOM 1751 CD GLU A 452 9.944 -0.037 -10.931 1.00 0.12 C ATOM 1752 OE1 GLU A 452 10.612 -0.967 -11.429 1.00 0.24 O ATOM 1753 OE2 GLU A 452 10.188 1.167 -11.161 1.00 0.25 O1- ATOM 0 H GLU A 452 7.154 -1.994 -9.027 1.00 0.05 H new ATOM 0 HA GLU A 452 9.763 -2.927 -9.415 1.00 0.05 H new ATOM 0 HB2 GLU A 452 8.575 -0.548 -7.935 1.00 0.05 H new ATOM 0 HB3 GLU A 452 10.225 -0.662 -8.513 1.00 0.05 H new ATOM 0 HG2 GLU A 452 8.134 -1.092 -10.543 1.00 0.07 H new ATOM 0 HG3 GLU A 452 8.195 0.515 -9.846 1.00 0.07 H new ATOM 1760 N LEU A 453 8.552 -2.494 -6.469 1.00 0.04 N ATOM 1761 CA LEU A 453 8.491 -2.838 -5.109 1.00 0.04 C ATOM 1762 C LEU A 453 8.687 -4.288 -4.877 1.00 0.05 C ATOM 1763 O LEU A 453 9.668 -4.675 -4.276 1.00 0.05 O ATOM 1764 CB LEU A 453 7.124 -2.454 -4.623 1.00 0.04 C ATOM 1765 CG LEU A 453 7.127 -1.874 -3.272 1.00 0.04 C ATOM 1766 CD1 LEU A 453 8.302 -1.005 -3.135 1.00 0.03 C ATOM 1767 CD2 LEU A 453 5.916 -1.073 -3.020 1.00 0.05 C ATOM 0 H LEU A 453 7.784 -1.886 -6.755 1.00 0.04 H new ATOM 0 HA LEU A 453 9.289 -2.319 -4.579 1.00 0.04 H new ATOM 0 HB2 LEU A 453 6.688 -1.736 -5.318 1.00 0.04 H new ATOM 0 HB3 LEU A 453 6.483 -3.335 -4.631 1.00 0.04 H new ATOM 0 HG LEU A 453 7.153 -2.691 -2.551 1.00 0.04 H new ATOM 0 HD11 LEU A 453 8.317 -0.568 -2.137 1.00 0.03 H new ATOM 0 HD12 LEU A 453 9.208 -1.591 -3.288 1.00 0.03 H new ATOM 0 HD13 LEU A 453 8.255 -0.210 -3.879 1.00 0.03 H new ATOM 0 HD21 LEU A 453 5.955 -0.661 -2.012 1.00 0.05 H new ATOM 0 HD22 LEU A 453 5.862 -0.259 -3.742 1.00 0.05 H new ATOM 0 HD23 LEU A 453 5.034 -1.706 -3.119 1.00 0.05 H new ATOM 1779 N PHE A 454 7.753 -5.077 -5.331 1.00 0.05 N ATOM 1780 CA PHE A 454 7.881 -6.532 -5.231 1.00 0.06 C ATOM 1781 C PHE A 454 9.288 -6.955 -5.667 1.00 0.07 C ATOM 1782 O PHE A 454 9.825 -7.974 -5.225 1.00 0.09 O ATOM 1783 CB PHE A 454 6.807 -7.245 -6.076 1.00 0.07 C ATOM 1784 CG PHE A 454 6.971 -8.751 -6.144 1.00 0.08 C ATOM 1785 CD1 PHE A 454 7.901 -9.307 -7.011 1.00 0.11 C ATOM 1786 CD2 PHE A 454 6.217 -9.613 -5.346 1.00 0.09 C ATOM 1787 CE1 PHE A 454 8.084 -10.672 -7.083 1.00 0.13 C ATOM 1788 CE2 PHE A 454 6.399 -10.980 -5.424 1.00 0.12 C ATOM 1789 CZ PHE A 454 7.334 -11.508 -6.288 1.00 0.12 C ATOM 0 H PHE A 454 6.893 -4.754 -5.774 1.00 0.05 H new ATOM 0 HA PHE A 454 7.727 -6.826 -4.193 1.00 0.06 H new ATOM 0 HB2 PHE A 454 5.824 -7.016 -5.664 1.00 0.07 H new ATOM 0 HB3 PHE A 454 6.830 -6.842 -7.088 1.00 0.07 H new ATOM 0 HD1 PHE A 454 8.492 -8.659 -7.641 1.00 0.11 H new ATOM 0 HD2 PHE A 454 5.486 -9.208 -4.662 1.00 0.09 H new ATOM 0 HE1 PHE A 454 8.815 -11.084 -7.763 1.00 0.13 H new ATOM 0 HE2 PHE A 454 5.806 -11.638 -4.806 1.00 0.12 H new ATOM 0 HZ PHE A 454 7.478 -12.577 -6.341 1.00 0.12 H new ATOM 1799 N GLY A 455 9.901 -6.099 -6.477 1.00 0.06 N ATOM 1800 CA GLY A 455 11.191 -6.396 -7.041 1.00 0.08 C ATOM 1801 C GLY A 455 12.316 -5.944 -6.137 1.00 0.08 C ATOM 1802 O GLY A 455 13.416 -6.493 -6.192 1.00 0.13 O ATOM 0 H GLY A 455 9.516 -5.195 -6.752 1.00 0.06 H new ATOM 0 HA2 GLY A 455 11.273 -7.469 -7.215 1.00 0.08 H new ATOM 0 HA3 GLY A 455 11.285 -5.907 -8.011 1.00 0.08 H new ATOM 1806 N MET A 456 12.055 -4.925 -5.317 1.00 0.06 N ATOM 1807 CA MET A 456 13.045 -4.461 -4.376 1.00 0.05 C ATOM 1808 C MET A 456 12.802 -4.931 -2.974 1.00 0.05 C ATOM 1809 O MET A 456 13.733 -5.347 -2.287 1.00 0.06 O ATOM 1810 CB MET A 456 13.157 -2.963 -4.372 1.00 0.05 C ATOM 1811 CG MET A 456 11.866 -2.266 -4.514 1.00 0.04 C ATOM 1812 SD MET A 456 11.911 -1.066 -5.835 1.00 0.05 S ATOM 1813 CE MET A 456 10.450 -0.207 -5.371 1.00 0.04 C ATOM 0 H MET A 456 11.171 -4.417 -5.294 1.00 0.06 H new ATOM 0 HA MET A 456 13.981 -4.899 -4.722 1.00 0.05 H new ATOM 0 HB2 MET A 456 13.629 -2.646 -3.442 1.00 0.05 H new ATOM 0 HB3 MET A 456 13.816 -2.656 -5.184 1.00 0.05 H new ATOM 0 HG2 MET A 456 11.078 -2.994 -4.709 1.00 0.04 H new ATOM 0 HG3 MET A 456 11.615 -1.768 -3.577 1.00 0.04 H new ATOM 0 HE1 MET A 456 9.650 -0.444 -6.072 1.00 0.04 H new ATOM 0 HE2 MET A 456 10.154 -0.509 -4.367 1.00 0.04 H new ATOM 0 HE3 MET A 456 10.639 0.866 -5.386 1.00 0.04 H new ATOM 1823 N VAL A 457 11.578 -4.853 -2.528 1.00 0.05 N ATOM 1824 CA VAL A 457 11.281 -5.277 -1.188 1.00 0.05 C ATOM 1825 C VAL A 457 11.320 -6.764 -1.066 1.00 0.07 C ATOM 1826 O VAL A 457 11.033 -7.513 -2.002 1.00 0.08 O ATOM 1827 CB VAL A 457 9.960 -4.716 -0.631 1.00 0.05 C ATOM 1828 CG1 VAL A 457 9.194 -3.927 -1.669 1.00 0.04 C ATOM 1829 CG2 VAL A 457 9.104 -5.816 -0.027 1.00 0.05 C ATOM 0 H VAL A 457 10.782 -4.506 -3.063 1.00 0.05 H new ATOM 0 HA VAL A 457 12.071 -4.851 -0.570 1.00 0.05 H new ATOM 0 HB VAL A 457 10.220 -4.021 0.167 1.00 0.05 H new ATOM 0 HG11 VAL A 457 8.270 -3.551 -1.231 1.00 0.04 H new ATOM 0 HG12 VAL A 457 9.801 -3.089 -2.010 1.00 0.04 H new ATOM 0 HG13 VAL A 457 8.958 -4.572 -2.515 1.00 0.04 H new ATOM 0 HG21 VAL A 457 8.179 -5.387 0.357 1.00 0.05 H new ATOM 0 HG22 VAL A 457 8.871 -6.557 -0.792 1.00 0.05 H new ATOM 0 HG23 VAL A 457 9.648 -6.294 0.788 1.00 0.05 H new ATOM 1839 N GLU A 458 11.713 -7.167 0.104 1.00 0.08 N ATOM 1840 CA GLU A 458 11.820 -8.540 0.426 1.00 0.10 C ATOM 1841 C GLU A 458 10.873 -8.848 1.552 1.00 0.09 C ATOM 1842 O GLU A 458 10.450 -7.953 2.278 1.00 0.10 O ATOM 1843 CB GLU A 458 13.242 -8.840 0.850 1.00 0.13 C ATOM 1844 CG GLU A 458 14.061 -7.596 1.039 1.00 0.20 C ATOM 1845 CD GLU A 458 15.365 -7.852 1.761 1.00 0.27 C ATOM 1846 OE1 GLU A 458 16.252 -8.515 1.185 1.00 0.48 O1- ATOM 1847 OE2 GLU A 458 15.513 -7.397 2.914 1.00 0.46 O ATOM 0 H GLU A 458 11.969 -6.537 0.864 1.00 0.08 H new ATOM 0 HA GLU A 458 11.568 -9.153 -0.439 1.00 0.10 H new ATOM 0 HB2 GLU A 458 13.228 -9.407 1.781 1.00 0.13 H new ATOM 0 HB3 GLU A 458 13.716 -9.472 0.099 1.00 0.13 H new ATOM 0 HG2 GLU A 458 14.272 -7.155 0.065 1.00 0.20 H new ATOM 0 HG3 GLU A 458 13.478 -6.866 1.600 1.00 0.20 H new ATOM 1854 N LYS A 459 10.496 -10.104 1.655 1.00 0.11 N ATOM 1855 CA LYS A 459 9.758 -10.569 2.795 1.00 0.13 C ATOM 1856 C LYS A 459 10.533 -10.291 4.045 1.00 0.15 C ATOM 1857 O LYS A 459 11.483 -10.995 4.386 1.00 0.18 O ATOM 1858 CB LYS A 459 9.450 -12.032 2.681 1.00 0.16 C ATOM 1859 CG LYS A 459 8.793 -12.336 1.387 1.00 0.22 C ATOM 1860 CD LYS A 459 8.181 -13.694 1.436 1.00 0.70 C ATOM 1861 CE LYS A 459 9.203 -14.788 1.173 1.00 0.40 C ATOM 1862 NZ LYS A 459 8.580 -16.139 1.141 1.00 0.99 N1+ ATOM 0 H LYS A 459 10.693 -10.820 0.956 1.00 0.11 H new ATOM 0 HA LYS A 459 8.809 -10.034 2.835 1.00 0.13 H new ATOM 0 HB2 LYS A 459 10.370 -12.609 2.770 1.00 0.16 H new ATOM 0 HB3 LYS A 459 8.802 -12.336 3.503 1.00 0.16 H new ATOM 0 HG2 LYS A 459 8.027 -11.590 1.174 1.00 0.22 H new ATOM 0 HG3 LYS A 459 9.522 -12.285 0.578 1.00 0.22 H new ATOM 0 HD2 LYS A 459 7.725 -13.851 2.413 1.00 0.70 H new ATOM 0 HD3 LYS A 459 7.382 -13.759 0.697 1.00 0.70 H new ATOM 0 HE2 LYS A 459 9.702 -14.597 0.223 1.00 0.40 H new ATOM 0 HE3 LYS A 459 9.970 -14.761 1.947 1.00 0.40 H new ATOM 0 HZ1 LYS A 459 9.312 -16.855 0.959 1.00 0.99 H new ATOM 0 HZ2 LYS A 459 8.126 -16.333 2.056 1.00 0.99 H new ATOM 0 HZ3 LYS A 459 7.866 -16.174 0.386 1.00 0.99 H new ATOM 1876 N GLY A 460 10.094 -9.266 4.720 1.00 0.15 N ATOM 1877 CA GLY A 460 10.775 -8.810 5.905 1.00 0.19 C ATOM 1878 C GLY A 460 11.052 -7.328 5.844 1.00 0.15 C ATOM 1879 O GLY A 460 11.460 -6.717 6.826 1.00 0.17 O ATOM 0 H GLY A 460 9.265 -8.727 4.471 1.00 0.15 H new ATOM 0 HA2 GLY A 460 10.169 -9.033 6.783 1.00 0.19 H new ATOM 0 HA3 GLY A 460 11.713 -9.353 6.019 1.00 0.19 H new ATOM 1883 N THR A 461 10.843 -6.755 4.670 1.00 0.12 N ATOM 1884 CA THR A 461 10.897 -5.329 4.491 1.00 0.07 C ATOM 1885 C THR A 461 9.743 -4.694 5.253 1.00 0.08 C ATOM 1886 O THR A 461 8.709 -5.320 5.456 1.00 0.13 O ATOM 1887 CB THR A 461 10.823 -4.998 2.980 1.00 0.06 C ATOM 1888 OG1 THR A 461 12.048 -5.364 2.334 1.00 0.08 O ATOM 1889 CG2 THR A 461 10.529 -3.533 2.739 1.00 0.05 C ATOM 0 H THR A 461 10.631 -7.274 3.818 1.00 0.12 H new ATOM 0 HA THR A 461 11.833 -4.929 4.880 1.00 0.07 H new ATOM 0 HB THR A 461 10.002 -5.576 2.556 1.00 0.06 H new ATOM 0 HG1 THR A 461 12.761 -5.437 3.002 1.00 0.08 H new ATOM 0 HG21 THR A 461 10.485 -3.342 1.667 1.00 0.05 H new ATOM 0 HG22 THR A 461 9.572 -3.274 3.193 1.00 0.05 H new ATOM 0 HG23 THR A 461 11.317 -2.926 3.184 1.00 0.05 H new ATOM 1897 N PRO A 462 9.906 -3.477 5.748 1.00 0.09 N ATOM 1898 CA PRO A 462 8.861 -2.780 6.422 1.00 0.14 C ATOM 1899 C PRO A 462 8.119 -1.902 5.447 1.00 0.13 C ATOM 1900 O PRO A 462 8.631 -1.568 4.378 1.00 0.18 O ATOM 1901 CB PRO A 462 9.630 -1.942 7.451 1.00 0.18 C ATOM 1902 CG PRO A 462 11.078 -2.131 7.116 1.00 0.13 C ATOM 1903 CD PRO A 462 11.098 -2.650 5.730 1.00 0.09 C ATOM 0 HA PRO A 462 8.110 -3.427 6.876 1.00 0.14 H new ATOM 0 HB2 PRO A 462 9.347 -0.891 7.392 1.00 0.18 H new ATOM 0 HB3 PRO A 462 9.415 -2.273 8.467 1.00 0.18 H new ATOM 0 HG2 PRO A 462 11.624 -1.191 7.191 1.00 0.13 H new ATOM 0 HG3 PRO A 462 11.552 -2.831 7.804 1.00 0.13 H new ATOM 0 HD2 PRO A 462 11.041 -1.854 4.987 1.00 0.09 H new ATOM 0 HD3 PRO A 462 11.999 -3.224 5.514 1.00 0.09 H new ATOM 1911 N VAL A 463 6.923 -1.541 5.787 1.00 0.09 N ATOM 1912 CA VAL A 463 6.213 -0.576 4.993 1.00 0.09 C ATOM 1913 C VAL A 463 5.809 0.540 5.898 1.00 0.08 C ATOM 1914 O VAL A 463 5.616 0.356 7.090 1.00 0.10 O ATOM 1915 CB VAL A 463 4.953 -1.113 4.299 1.00 0.19 C ATOM 1916 CG1 VAL A 463 5.201 -2.472 3.686 1.00 0.57 C ATOM 1917 CG2 VAL A 463 3.805 -1.137 5.278 1.00 0.54 C ATOM 0 H VAL A 463 6.417 -1.893 6.600 1.00 0.09 H new ATOM 0 HA VAL A 463 6.888 -0.267 4.195 1.00 0.09 H new ATOM 0 HB VAL A 463 4.689 -0.446 3.479 1.00 0.19 H new ATOM 0 HG11 VAL A 463 4.290 -2.825 3.202 1.00 0.57 H new ATOM 0 HG12 VAL A 463 5.999 -2.398 2.947 1.00 0.57 H new ATOM 0 HG13 VAL A 463 5.493 -3.175 4.466 1.00 0.57 H new ATOM 0 HG21 VAL A 463 2.912 -1.519 4.783 1.00 0.54 H new ATOM 0 HG22 VAL A 463 4.057 -1.783 6.119 1.00 0.54 H new ATOM 0 HG23 VAL A 463 3.615 -0.127 5.641 1.00 0.54 H new ATOM 1927 N LEU A 464 5.743 1.697 5.367 1.00 0.07 N ATOM 1928 CA LEU A 464 5.294 2.808 6.115 1.00 0.07 C ATOM 1929 C LEU A 464 4.326 3.560 5.298 1.00 0.07 C ATOM 1930 O LEU A 464 4.354 3.484 4.088 1.00 0.09 O ATOM 1931 CB LEU A 464 6.457 3.688 6.488 1.00 0.10 C ATOM 1932 CG LEU A 464 7.428 3.059 7.441 1.00 0.10 C ATOM 1933 CD1 LEU A 464 8.454 2.286 6.683 1.00 0.09 C ATOM 1934 CD2 LEU A 464 8.065 4.128 8.290 1.00 0.13 C ATOM 0 H LEU A 464 5.998 1.904 4.401 1.00 0.07 H new ATOM 0 HA LEU A 464 4.817 2.469 7.035 1.00 0.07 H new ATOM 0 HB2 LEU A 464 6.989 3.971 5.580 1.00 0.10 H new ATOM 0 HB3 LEU A 464 6.074 4.607 6.932 1.00 0.10 H new ATOM 0 HG LEU A 464 6.903 2.366 8.099 1.00 0.10 H new ATOM 0 HD11 LEU A 464 9.157 1.831 7.382 1.00 0.09 H new ATOM 0 HD12 LEU A 464 7.965 1.505 6.101 1.00 0.09 H new ATOM 0 HD13 LEU A 464 8.992 2.956 6.012 1.00 0.09 H new ATOM 0 HD21 LEU A 464 8.771 3.670 8.983 1.00 0.13 H new ATOM 0 HD22 LEU A 464 8.592 4.835 7.650 1.00 0.13 H new ATOM 0 HD23 LEU A 464 7.293 4.653 8.853 1.00 0.13 H new ATOM 1946 N VAL A 465 3.417 4.186 5.966 1.00 0.06 N ATOM 1947 CA VAL A 465 2.591 5.193 5.371 1.00 0.05 C ATOM 1948 C VAL A 465 2.493 6.279 6.403 1.00 0.08 C ATOM 1949 O VAL A 465 2.519 5.958 7.573 1.00 0.10 O ATOM 1950 CB VAL A 465 1.203 4.642 4.958 1.00 0.07 C ATOM 1951 CG1 VAL A 465 1.280 3.163 4.659 1.00 0.09 C ATOM 1952 CG2 VAL A 465 0.176 4.932 5.998 1.00 0.08 C ATOM 0 H VAL A 465 3.221 4.014 6.952 1.00 0.06 H new ATOM 0 HA VAL A 465 3.019 5.566 4.440 1.00 0.05 H new ATOM 0 HB VAL A 465 0.896 5.152 4.045 1.00 0.07 H new ATOM 0 HG11 VAL A 465 0.294 2.798 4.371 1.00 0.09 H new ATOM 0 HG12 VAL A 465 1.982 2.993 3.843 1.00 0.09 H new ATOM 0 HG13 VAL A 465 1.619 2.629 5.547 1.00 0.09 H new ATOM 0 HG21 VAL A 465 -0.787 4.533 5.679 1.00 0.08 H new ATOM 0 HG22 VAL A 465 0.469 4.465 6.939 1.00 0.08 H new ATOM 0 HG23 VAL A 465 0.094 6.010 6.138 1.00 0.08 H new ATOM 1962 N PHE A 466 2.503 7.535 5.986 1.00 0.10 N ATOM 1963 CA PHE A 466 2.468 8.671 6.905 1.00 0.15 C ATOM 1964 C PHE A 466 2.523 9.988 6.148 1.00 0.21 C ATOM 1965 O PHE A 466 3.617 10.564 6.005 1.00 1.09 O ATOM 1966 CB PHE A 466 3.589 8.579 7.958 1.00 0.17 C ATOM 1967 CG PHE A 466 4.986 8.372 7.430 1.00 0.20 C ATOM 1968 CD1 PHE A 466 5.361 7.136 6.979 1.00 0.14 C ATOM 1969 CD2 PHE A 466 5.915 9.401 7.404 1.00 0.36 C ATOM 1970 CE1 PHE A 466 6.638 6.906 6.500 1.00 0.20 C ATOM 1971 CE2 PHE A 466 7.196 9.183 6.924 1.00 0.41 C ATOM 1972 CZ PHE A 466 7.553 7.930 6.471 1.00 0.30 C ATOM 1973 OXT PHE A 466 1.451 10.442 5.699 1.00 1.06 O ATOM 0 H PHE A 466 2.536 7.800 5.002 1.00 0.10 H new ATOM 0 HA PHE A 466 1.519 8.635 7.439 1.00 0.15 H new ATOM 0 HB2 PHE A 466 3.579 9.495 8.549 1.00 0.17 H new ATOM 0 HB3 PHE A 466 3.355 7.759 8.636 1.00 0.17 H new ATOM 0 HD1 PHE A 466 4.647 6.326 6.997 1.00 0.14 H new ATOM 0 HD2 PHE A 466 5.637 10.382 7.761 1.00 0.36 H new ATOM 0 HE1 PHE A 466 6.915 5.923 6.149 1.00 0.20 H new ATOM 0 HE2 PHE A 466 7.912 9.991 6.905 1.00 0.41 H new ATOM 0 HZ PHE A 466 8.550 7.754 6.094 1.00 0.30 H new