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 -105:sc= -2.91! (180deg=-4.49!) USER MOD Set 1.2: A 450 MET CE :methyl -167:sc= -5.37! (180deg=-6.59!) USER MOD Set 2.1: A 421 HIS : no HD1:sc= -3.8 X(o=-7.3,f=-7.2) USER MOD Set 2.2: A 442 CYS SG : rot 180:sc= -0.614 USER MOD Set 2.3: A 444 ASN : amide:sc= -2.88 K(o=-7.3,f=-3.6) USER MOD Set 3.1: A 370 SER OG : rot -40:sc= -2.51! USER MOD Set 3.2: A 377 THR OG1 : rot 85:sc= 1.08 USER MOD Set 4.1: A 356 TYR OH : rot 21:sc= -6.34! USER MOD Set 4.2: A 358 LYS NZ :NH3+ -173:sc= 1.16 (180deg=0.0227) USER MOD Single : A 343 THR OG1 : rot 6:sc= 0.68 USER MOD Single : A 344 TYR OH : rot 94:sc= 0.549 USER MOD Single : A 351 ASN : amide:sc= -2.26! K(o=-2.3!,f=-1.3) USER MOD Single : A 352 GLN : amide:sc= -4.61! C(o=-4.6!,f=-2.6!) USER MOD Single : A 353 HIS : no HE2:sc= -6.48! C(o=-6.5!,f=-6.8!) USER MOD Single : A 354 MET CE :methyl -129:sc= -5.19! (180deg=-6.58!) USER MOD Single : A 357 TYR OH : rot 180:sc= 0 USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 40:sc= -5.26! USER MOD Single : A 372 LYS NZ :NH3+ 154:sc= 0.182 (180deg=0.0393) USER MOD Single : A 374 THR OG1 : rot 180:sc= -2.92! USER MOD Single : A 375 THR OG1 : rot -64:sc= 0.733 USER MOD Single : A 383 TYR OH : rot -73:sc= 1.18 USER MOD Single : A 386 ASN : amide:sc= -1.68! X(o=-1.7!,f=-1.5) USER MOD Single : A 387 LYS NZ :NH3+ -121:sc= 1.48 (180deg=0.00636) 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=-0.00318 USER MOD Single : A 408 ASN : amide:sc= -3.21! K(o=-3.2!,f=-0.33) 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 -131:sc= -3.41! USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot 180:sc= -1.85! USER MOD Single : A 439 SER OG : rot 170:sc= 0 USER MOD Single : A 440 HIS : no HD1:sc=-0.00421 X(o=-0.0042,f=-0.082) USER MOD Single : A 445 THR OG1 : rot -135:sc= 0.991 USER MOD Single : A 448 SER OG : rot 180:sc= -0.0562 USER MOD Single : A 451 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 MET CE :methyl -108:sc= -20.5! (180deg=-29.6!) USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 THR OG1 : rot -140:sc= -0.462 USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 342 18.027 0.971 6.341 1.00 0.24 N ATOM 61 CA ASP A 342 17.191 1.888 5.603 1.00 0.20 C ATOM 62 C ASP A 342 16.811 1.284 4.274 1.00 0.17 C ATOM 63 O ASP A 342 17.426 1.563 3.247 1.00 0.19 O ATOM 64 CB ASP A 342 17.886 3.227 5.355 1.00 0.22 C ATOM 65 CG ASP A 342 18.241 3.970 6.628 1.00 0.31 C ATOM 66 OD1 ASP A 342 19.243 3.590 7.278 1.00 0.43 O1- ATOM 67 OD2 ASP A 342 17.514 4.919 6.996 1.00 0.39 O ATOM 0 HA ASP A 342 16.303 2.070 6.208 1.00 0.20 H new ATOM 0 HB2 ASP A 342 18.795 3.054 4.779 1.00 0.22 H new ATOM 0 HB3 ASP A 342 17.238 3.856 4.745 1.00 0.22 H new ATOM 72 N THR A 343 15.773 0.481 4.321 1.00 0.13 N ATOM 73 CA THR A 343 15.082 -0.003 3.153 1.00 0.10 C ATOM 74 C THR A 343 13.683 -0.389 3.558 1.00 0.08 C ATOM 75 O THR A 343 13.499 -1.090 4.554 1.00 0.10 O ATOM 76 CB THR A 343 15.730 -1.223 2.492 1.00 0.11 C ATOM 77 OG1 THR A 343 17.024 -0.893 1.966 1.00 0.14 O ATOM 78 CG2 THR A 343 14.813 -1.710 1.380 1.00 0.08 C ATOM 0 H THR A 343 15.377 0.139 5.197 1.00 0.13 H new ATOM 0 HA THR A 343 15.111 0.805 2.422 1.00 0.10 H new ATOM 0 HB THR A 343 15.868 -2.010 3.234 1.00 0.11 H new ATOM 0 HG1 THR A 343 17.259 0.022 2.226 1.00 0.14 H new ATOM 0 HG21 THR A 343 15.258 -2.580 0.896 1.00 0.08 H new ATOM 0 HG22 THR A 343 13.845 -1.984 1.800 1.00 0.08 H new ATOM 0 HG23 THR A 343 14.678 -0.916 0.646 1.00 0.08 H new ATOM 86 N TYR A 344 12.707 0.050 2.789 1.00 0.07 N ATOM 87 CA TYR A 344 11.320 -0.144 3.159 1.00 0.06 C ATOM 88 C TYR A 344 10.404 0.551 2.195 1.00 0.06 C ATOM 89 O TYR A 344 10.804 1.456 1.496 1.00 0.06 O ATOM 90 CB TYR A 344 11.071 0.449 4.530 1.00 0.08 C ATOM 91 CG TYR A 344 11.465 1.909 4.646 1.00 0.09 C ATOM 92 CD1 TYR A 344 12.759 2.249 4.993 1.00 0.12 C ATOM 93 CD2 TYR A 344 10.557 2.935 4.420 1.00 0.09 C ATOM 94 CE1 TYR A 344 13.144 3.568 5.116 1.00 0.13 C ATOM 95 CE2 TYR A 344 10.930 4.254 4.539 1.00 0.11 C ATOM 96 CZ TYR A 344 12.224 4.567 4.889 1.00 0.13 C ATOM 97 OH TYR A 344 12.596 5.883 5.011 1.00 0.15 O ATOM 0 H TYR A 344 12.848 0.542 1.907 1.00 0.07 H new ATOM 0 HA TYR A 344 11.122 -1.216 3.151 1.00 0.06 H new ATOM 0 HB2 TYR A 344 10.013 0.347 4.773 1.00 0.08 H new ATOM 0 HB3 TYR A 344 11.625 -0.127 5.271 1.00 0.08 H new ATOM 0 HD1 TYR A 344 13.482 1.467 5.171 1.00 0.12 H new ATOM 0 HD2 TYR A 344 9.541 2.693 4.146 1.00 0.09 H new ATOM 0 HE1 TYR A 344 14.159 3.815 5.388 1.00 0.13 H new ATOM 0 HE2 TYR A 344 10.211 5.040 4.359 1.00 0.11 H new ATOM 0 HH TYR A 344 12.856 6.232 4.133 1.00 0.15 H new ATOM 107 N ILE A 345 9.173 0.112 2.147 1.00 0.06 N ATOM 108 CA ILE A 345 8.148 0.885 1.509 1.00 0.06 C ATOM 109 C ILE A 345 7.731 1.997 2.413 1.00 0.07 C ATOM 110 O ILE A 345 7.838 1.892 3.628 1.00 0.08 O ATOM 111 CB ILE A 345 6.882 0.093 1.179 1.00 0.06 C ATOM 112 CG1 ILE A 345 7.180 -1.387 1.158 1.00 0.07 C ATOM 113 CG2 ILE A 345 6.370 0.521 -0.171 1.00 0.06 C ATOM 114 CD1 ILE A 345 8.244 -1.723 0.201 1.00 0.05 C ATOM 0 H ILE A 345 8.860 -0.775 2.542 1.00 0.06 H new ATOM 0 HA ILE A 345 8.587 1.234 0.574 1.00 0.06 H new ATOM 0 HB ILE A 345 6.129 0.289 1.942 1.00 0.06 H new ATOM 0 HG12 ILE A 345 7.475 -1.711 2.156 1.00 0.07 H new ATOM 0 HG13 ILE A 345 6.274 -1.935 0.900 1.00 0.07 H new ATOM 0 HG21 ILE A 345 5.467 -0.040 -0.412 1.00 0.06 H new ATOM 0 HG22 ILE A 345 6.141 1.586 -0.152 1.00 0.06 H new ATOM 0 HG23 ILE A 345 7.131 0.327 -0.927 1.00 0.06 H new ATOM 0 HD11 ILE A 345 8.424 -2.798 0.220 1.00 0.05 H new ATOM 0 HD12 ILE A 345 7.939 -1.424 -0.802 1.00 0.05 H new ATOM 0 HD13 ILE A 345 9.159 -1.197 0.474 1.00 0.05 H new ATOM 126 N GLU A 346 7.247 3.037 1.814 1.00 0.09 N ATOM 127 CA GLU A 346 6.829 4.205 2.534 1.00 0.12 C ATOM 128 C GLU A 346 5.682 4.839 1.766 1.00 0.17 C ATOM 129 O GLU A 346 5.596 4.719 0.561 1.00 0.21 O ATOM 130 CB GLU A 346 8.033 5.129 2.610 1.00 0.15 C ATOM 131 CG GLU A 346 7.945 6.315 3.558 1.00 0.13 C ATOM 132 CD GLU A 346 6.588 6.730 3.965 1.00 1.24 C ATOM 133 OE1 GLU A 346 5.872 5.920 4.578 1.00 2.01 O1- ATOM 134 OE2 GLU A 346 6.250 7.901 3.698 1.00 1.53 O ATOM 0 H GLU A 346 7.128 3.104 0.803 1.00 0.09 H new ATOM 0 HA GLU A 346 6.483 3.982 3.543 1.00 0.12 H new ATOM 0 HB2 GLU A 346 8.899 4.532 2.897 1.00 0.15 H new ATOM 0 HB3 GLU A 346 8.228 5.512 1.608 1.00 0.15 H new ATOM 0 HG2 GLU A 346 8.514 6.077 4.457 1.00 0.13 H new ATOM 0 HG3 GLU A 346 8.436 7.166 3.087 1.00 0.13 H new ATOM 141 N VAL A 347 4.770 5.426 2.490 1.00 0.17 N ATOM 142 CA VAL A 347 3.694 6.178 1.942 1.00 0.17 C ATOM 143 C VAL A 347 3.445 7.425 2.760 1.00 0.20 C ATOM 144 O VAL A 347 3.700 7.467 3.938 1.00 0.45 O ATOM 145 CB VAL A 347 2.391 5.413 1.939 1.00 0.15 C ATOM 146 CG1 VAL A 347 1.477 6.101 0.973 1.00 0.14 C ATOM 147 CG2 VAL A 347 2.592 3.943 1.606 1.00 0.15 C ATOM 0 H VAL A 347 4.762 5.388 3.509 1.00 0.17 H new ATOM 0 HA VAL A 347 3.993 6.410 0.920 1.00 0.17 H new ATOM 0 HB VAL A 347 1.947 5.414 2.935 1.00 0.15 H new ATOM 0 HG11 VAL A 347 0.521 5.578 0.941 1.00 0.14 H new ATOM 0 HG12 VAL A 347 1.317 7.130 1.294 1.00 0.14 H new ATOM 0 HG13 VAL A 347 1.927 6.096 -0.020 1.00 0.14 H new ATOM 0 HG21 VAL A 347 1.629 3.433 1.615 1.00 0.15 H new ATOM 0 HG22 VAL A 347 3.041 3.852 0.617 1.00 0.15 H new ATOM 0 HG23 VAL A 347 3.250 3.489 2.347 1.00 0.15 H new ATOM 157 N ASP A 348 2.881 8.407 2.132 1.00 0.10 N ATOM 158 CA ASP A 348 2.516 9.629 2.775 1.00 0.09 C ATOM 159 C ASP A 348 1.144 9.989 2.252 1.00 0.08 C ATOM 160 O ASP A 348 0.983 10.397 1.118 1.00 0.10 O ATOM 161 CB ASP A 348 3.558 10.698 2.427 1.00 0.12 C ATOM 162 CG ASP A 348 3.395 11.974 3.221 1.00 0.16 C ATOM 163 OD1 ASP A 348 2.259 12.267 3.657 1.00 0.16 O1- ATOM 164 OD2 ASP A 348 4.407 12.667 3.463 1.00 0.24 O ATOM 0 H ASP A 348 2.657 8.381 1.137 1.00 0.10 H new ATOM 0 HA ASP A 348 2.486 9.544 3.861 1.00 0.09 H new ATOM 0 HB2 ASP A 348 4.555 10.294 2.603 1.00 0.12 H new ATOM 0 HB3 ASP A 348 3.490 10.929 1.364 1.00 0.12 H new ATOM 169 N LEU A 349 0.172 9.780 3.105 1.00 0.08 N ATOM 170 CA LEU A 349 -1.247 9.768 2.750 1.00 0.09 C ATOM 171 C LEU A 349 -1.753 11.157 2.634 1.00 0.12 C ATOM 172 O LEU A 349 -2.623 11.485 1.846 1.00 0.16 O ATOM 173 CB LEU A 349 -2.022 9.069 3.851 1.00 0.10 C ATOM 174 CG LEU A 349 -1.403 7.768 4.289 1.00 0.08 C ATOM 175 CD1 LEU A 349 -0.794 7.084 3.098 1.00 0.07 C ATOM 176 CD2 LEU A 349 -0.364 8.026 5.348 1.00 0.08 C ATOM 0 H LEU A 349 0.339 9.607 4.096 1.00 0.08 H new ATOM 0 HA LEU A 349 -1.373 9.251 1.799 1.00 0.09 H new ATOM 0 HB2 LEU A 349 -2.096 9.735 4.711 1.00 0.10 H new ATOM 0 HB3 LEU A 349 -3.038 8.880 3.505 1.00 0.10 H new ATOM 0 HG LEU A 349 -2.169 7.119 4.714 1.00 0.08 H new ATOM 0 HD11 LEU A 349 -0.344 6.141 3.410 1.00 0.07 H new ATOM 0 HD12 LEU A 349 -1.568 6.889 2.356 1.00 0.07 H new ATOM 0 HD13 LEU A 349 -0.027 7.725 2.663 1.00 0.07 H new ATOM 0 HD21 LEU A 349 0.080 7.081 5.660 1.00 0.08 H new ATOM 0 HD22 LEU A 349 0.413 8.676 4.945 1.00 0.08 H new ATOM 0 HD23 LEU A 349 -0.831 8.509 6.206 1.00 0.08 H new ATOM 188 N GLU A 350 -1.184 11.931 3.520 1.00 0.13 N ATOM 189 CA GLU A 350 -1.407 13.348 3.637 1.00 0.15 C ATOM 190 C GLU A 350 -1.097 13.974 2.321 1.00 0.14 C ATOM 191 O GLU A 350 -1.785 14.854 1.817 1.00 0.17 O ATOM 192 CB GLU A 350 -0.430 13.865 4.651 1.00 0.18 C ATOM 193 CG GLU A 350 -0.264 12.943 5.791 1.00 0.19 C ATOM 194 CD GLU A 350 -0.359 13.622 7.135 1.00 0.28 C ATOM 195 OE1 GLU A 350 0.363 14.615 7.346 1.00 0.57 O ATOM 196 OE2 GLU A 350 -1.149 13.162 7.986 1.00 0.60 O1- ATOM 0 H GLU A 350 -0.523 11.575 4.211 1.00 0.13 H new ATOM 0 HA GLU A 350 -2.433 13.570 3.929 1.00 0.15 H new ATOM 0 HB2 GLU A 350 0.536 14.025 4.172 1.00 0.18 H new ATOM 0 HB3 GLU A 350 -0.769 14.834 5.017 1.00 0.18 H new ATOM 0 HG2 GLU A 350 -1.025 12.165 5.732 1.00 0.19 H new ATOM 0 HG3 GLU A 350 0.704 12.449 5.710 1.00 0.19 H new ATOM 203 N ASN A 351 0.021 13.501 1.833 1.00 0.12 N ATOM 204 CA ASN A 351 0.635 14.008 0.616 1.00 0.11 C ATOM 205 C ASN A 351 0.348 13.096 -0.552 1.00 0.09 C ATOM 206 O ASN A 351 0.889 13.259 -1.648 1.00 0.10 O ATOM 207 CB ASN A 351 2.133 14.139 0.846 1.00 0.13 C ATOM 208 CG ASN A 351 2.414 15.207 1.863 1.00 0.17 C ATOM 209 OD1 ASN A 351 2.670 16.365 1.526 1.00 0.20 O ATOM 210 ND2 ASN A 351 2.334 14.832 3.118 1.00 0.18 N ATOM 0 H ASN A 351 0.544 12.742 2.270 1.00 0.12 H new ATOM 0 HA ASN A 351 0.215 14.985 0.375 1.00 0.11 H new ATOM 0 HB2 ASN A 351 2.540 13.187 1.187 1.00 0.13 H new ATOM 0 HB3 ASN A 351 2.632 14.381 -0.092 1.00 0.13 H new ATOM 0 HD21 ASN A 351 2.486 15.511 3.864 1.00 0.18 H new ATOM 0 HD22 ASN A 351 2.119 13.862 3.348 1.00 0.18 H new ATOM 217 N GLN A 352 -0.518 12.126 -0.246 1.00 0.08 N ATOM 218 CA GLN A 352 -0.909 11.037 -1.134 1.00 0.08 C ATOM 219 C GLN A 352 0.209 10.599 -2.059 1.00 0.07 C ATOM 220 O GLN A 352 0.074 10.632 -3.280 1.00 0.08 O ATOM 221 CB GLN A 352 -2.159 11.352 -1.941 1.00 0.12 C ATOM 222 CG GLN A 352 -3.398 11.568 -1.098 1.00 0.21 C ATOM 223 CD GLN A 352 -3.547 12.993 -0.580 1.00 1.28 C ATOM 224 OE1 GLN A 352 -4.172 13.224 0.453 1.00 2.15 O ATOM 225 NE2 GLN A 352 -2.965 13.956 -1.276 1.00 1.89 N ATOM 0 H GLN A 352 -0.981 12.079 0.662 1.00 0.08 H new ATOM 0 HA GLN A 352 -1.139 10.205 -0.468 1.00 0.08 H new ATOM 0 HB2 GLN A 352 -1.978 12.246 -2.538 1.00 0.12 H new ATOM 0 HB3 GLN A 352 -2.344 10.535 -2.638 1.00 0.12 H new ATOM 0 HG2 GLN A 352 -4.278 11.312 -1.689 1.00 0.21 H new ATOM 0 HG3 GLN A 352 -3.373 10.884 -0.250 1.00 0.21 H new ATOM 0 HE21 GLN A 352 -2.454 13.731 -2.129 1.00 1.89 H new ATOM 0 HE22 GLN A 352 -3.028 14.924 -0.959 1.00 1.89 H new ATOM 234 N HIS A 353 1.285 10.133 -1.472 1.00 0.05 N ATOM 235 CA HIS A 353 2.427 9.697 -2.240 1.00 0.05 C ATOM 236 C HIS A 353 3.036 8.475 -1.602 1.00 0.06 C ATOM 237 O HIS A 353 3.168 8.402 -0.399 1.00 0.07 O ATOM 238 CB HIS A 353 3.451 10.821 -2.335 1.00 0.06 C ATOM 239 CG HIS A 353 4.506 10.548 -3.345 1.00 0.06 C ATOM 240 ND1 HIS A 353 4.452 10.961 -4.660 1.00 0.09 N ATOM 241 CD2 HIS A 353 5.616 9.823 -3.229 1.00 0.06 C ATOM 242 CE1 HIS A 353 5.500 10.475 -5.306 1.00 0.09 C ATOM 243 NE2 HIS A 353 6.224 9.787 -4.447 1.00 0.07 N ATOM 0 H HIS A 353 1.394 10.046 -0.462 1.00 0.05 H new ATOM 0 HA HIS A 353 2.105 9.438 -3.249 1.00 0.05 H new ATOM 0 HB2 HIS A 353 2.942 11.751 -2.589 1.00 0.06 H new ATOM 0 HB3 HIS A 353 3.916 10.968 -1.360 1.00 0.06 H new ATOM 0 HD1 HIS A 353 3.723 11.546 -5.068 1.00 0.09 H new ATOM 0 HD2 HIS A 353 5.972 9.347 -2.327 1.00 0.06 H new ATOM 0 HE1 HIS A 353 5.722 10.617 -6.353 1.00 0.09 H new ATOM 252 N MET A 354 3.366 7.505 -2.421 1.00 0.05 N ATOM 253 CA MET A 354 3.951 6.288 -1.946 1.00 0.06 C ATOM 254 C MET A 354 5.383 6.165 -2.445 1.00 0.05 C ATOM 255 O MET A 354 5.752 6.755 -3.456 1.00 0.06 O ATOM 256 CB MET A 354 3.146 5.089 -2.398 1.00 0.07 C ATOM 257 CG MET A 354 3.435 3.841 -1.600 1.00 0.07 C ATOM 258 SD MET A 354 3.767 2.401 -2.622 1.00 0.06 S ATOM 259 CE MET A 354 4.993 3.072 -3.733 1.00 0.05 C ATOM 0 H MET A 354 3.234 7.543 -3.432 1.00 0.05 H new ATOM 0 HA MET A 354 3.950 6.314 -0.856 1.00 0.06 H new ATOM 0 HB2 MET A 354 2.084 5.323 -2.321 1.00 0.07 H new ATOM 0 HB3 MET A 354 3.355 4.896 -3.450 1.00 0.07 H new ATOM 0 HG2 MET A 354 4.293 4.023 -0.953 1.00 0.07 H new ATOM 0 HG3 MET A 354 2.585 3.629 -0.951 1.00 0.07 H new ATOM 0 HE1 MET A 354 4.705 2.861 -4.763 1.00 0.05 H new ATOM 0 HE2 MET A 354 5.063 4.150 -3.589 1.00 0.05 H new ATOM 0 HE3 MET A 354 5.961 2.615 -3.526 1.00 0.05 H new ATOM 269 N TRP A 355 6.165 5.384 -1.745 1.00 0.05 N ATOM 270 CA TRP A 355 7.568 5.196 -2.040 1.00 0.07 C ATOM 271 C TRP A 355 7.989 3.776 -1.799 1.00 0.07 C ATOM 272 O TRP A 355 7.343 3.041 -1.072 1.00 0.11 O ATOM 273 CB TRP A 355 8.457 6.027 -1.118 1.00 0.08 C ATOM 274 CG TRP A 355 8.352 7.479 -1.278 1.00 0.07 C ATOM 275 CD1 TRP A 355 9.078 8.260 -2.084 1.00 0.06 C ATOM 276 CD2 TRP A 355 7.494 8.316 -0.556 1.00 0.07 C ATOM 277 NE1 TRP A 355 8.699 9.564 -1.943 1.00 0.05 N ATOM 278 CE2 TRP A 355 7.716 9.622 -0.981 1.00 0.06 C ATOM 279 CE3 TRP A 355 6.546 8.073 0.407 1.00 0.08 C ATOM 280 CZ2 TRP A 355 7.000 10.684 -0.444 1.00 0.07 C ATOM 281 CZ3 TRP A 355 5.859 9.091 0.929 1.00 0.09 C ATOM 282 CH2 TRP A 355 6.079 10.396 0.514 1.00 0.09 C ATOM 0 H TRP A 355 5.842 4.850 -0.939 1.00 0.05 H new ATOM 0 HA TRP A 355 7.684 5.489 -3.083 1.00 0.07 H new ATOM 0 HB2 TRP A 355 8.215 5.775 -0.085 1.00 0.08 H new ATOM 0 HB3 TRP A 355 9.494 5.735 -1.283 1.00 0.08 H new ATOM 0 HD1 TRP A 355 9.852 7.910 -2.750 1.00 0.06 H new ATOM 0 HE1 TRP A 355 9.078 10.357 -2.460 1.00 0.05 H new ATOM 0 HE3 TRP A 355 6.357 7.063 0.740 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 7.168 11.698 -0.774 1.00 0.07 H new ATOM 0 HZ3 TRP A 355 5.117 8.895 1.689 1.00 0.09 H new ATOM 0 HH2 TRP A 355 5.509 11.198 0.960 1.00 0.09 H new ATOM 293 N TYR A 356 9.083 3.416 -2.402 1.00 0.04 N ATOM 294 CA TYR A 356 9.937 2.407 -1.849 1.00 0.04 C ATOM 295 C TYR A 356 11.190 3.091 -1.448 1.00 0.04 C ATOM 296 O TYR A 356 11.562 4.090 -2.022 1.00 0.05 O ATOM 297 CB TYR A 356 10.298 1.354 -2.827 1.00 0.03 C ATOM 298 CG TYR A 356 11.183 0.271 -2.234 1.00 0.03 C ATOM 299 CD1 TYR A 356 10.667 -0.725 -1.433 1.00 0.05 C ATOM 300 CD2 TYR A 356 12.541 0.287 -2.437 1.00 0.05 C ATOM 301 CE1 TYR A 356 11.483 -1.664 -0.840 1.00 0.11 C ATOM 302 CE2 TYR A 356 13.355 -0.646 -1.865 1.00 0.10 C ATOM 303 CZ TYR A 356 12.756 -1.779 -1.250 1.00 0.05 C ATOM 304 OH TYR A 356 13.662 -2.515 -0.447 1.00 0.26 O ATOM 0 H TYR A 356 9.407 3.810 -3.285 1.00 0.04 H new ATOM 0 HA TYR A 356 9.413 1.923 -1.024 1.00 0.04 H new ATOM 0 HB2 TYR A 356 9.387 0.899 -3.215 1.00 0.03 H new ATOM 0 HB3 TYR A 356 10.811 1.812 -3.673 1.00 0.03 H new ATOM 0 HD1 TYR A 356 9.601 -0.770 -1.267 1.00 0.05 H new ATOM 0 HD2 TYR A 356 12.973 1.054 -3.062 1.00 0.05 H new ATOM 0 HE1 TYR A 356 11.103 -2.300 -0.054 1.00 0.11 H new ATOM 0 HE2 TYR A 356 14.428 -0.527 -1.879 1.00 0.10 H new ATOM 0 HH TYR A 356 13.162 -3.120 0.140 1.00 0.26 H new ATOM 314 N TYR A 357 11.834 2.529 -0.512 1.00 0.05 N ATOM 315 CA TYR A 357 13.054 3.085 0.006 1.00 0.06 C ATOM 316 C TYR A 357 14.136 2.053 -0.007 1.00 0.06 C ATOM 317 O TYR A 357 14.009 1.004 0.603 1.00 0.07 O ATOM 318 CB TYR A 357 12.889 3.616 1.423 1.00 0.07 C ATOM 319 CG TYR A 357 12.494 5.066 1.509 1.00 0.07 C ATOM 320 CD1 TYR A 357 11.184 5.473 1.300 1.00 0.08 C ATOM 321 CD2 TYR A 357 13.446 6.029 1.808 1.00 0.10 C ATOM 322 CE1 TYR A 357 10.830 6.810 1.385 1.00 0.10 C ATOM 323 CE2 TYR A 357 13.105 7.360 1.895 1.00 0.11 C ATOM 324 CZ TYR A 357 11.796 7.751 1.683 1.00 0.11 C ATOM 325 OH TYR A 357 11.454 9.083 1.767 1.00 0.14 O ATOM 0 H TYR A 357 11.544 1.660 -0.064 1.00 0.05 H new ATOM 0 HA TYR A 357 13.322 3.921 -0.639 1.00 0.06 H new ATOM 0 HB2 TYR A 357 12.136 3.017 1.935 1.00 0.07 H new ATOM 0 HB3 TYR A 357 13.827 3.476 1.960 1.00 0.07 H new ATOM 0 HD1 TYR A 357 10.429 4.737 1.068 1.00 0.08 H new ATOM 0 HD2 TYR A 357 14.470 5.730 1.975 1.00 0.10 H new ATOM 0 HE1 TYR A 357 9.807 7.114 1.220 1.00 0.10 H new ATOM 0 HE2 TYR A 357 13.859 8.097 2.128 1.00 0.11 H new ATOM 0 HH TYR A 357 12.250 9.612 1.986 1.00 0.14 H new ATOM 335 N LYS A 358 15.166 2.351 -0.736 1.00 0.07 N ATOM 336 CA LYS A 358 16.391 1.608 -0.669 1.00 0.09 C ATOM 337 C LYS A 358 17.455 2.592 -0.263 1.00 0.13 C ATOM 338 O LYS A 358 17.499 3.683 -0.775 1.00 0.25 O ATOM 339 CB LYS A 358 16.755 0.997 -2.004 1.00 0.11 C ATOM 340 CG LYS A 358 17.748 -0.115 -1.874 1.00 0.12 C ATOM 341 CD LYS A 358 17.071 -1.280 -1.272 1.00 0.09 C ATOM 342 CE LYS A 358 16.533 -2.148 -2.355 1.00 0.09 C ATOM 343 NZ LYS A 358 15.956 -3.415 -1.840 1.00 0.10 N1+ ATOM 0 H LYS A 358 15.183 3.124 -1.402 1.00 0.07 H new ATOM 0 HA LYS A 358 16.291 0.785 0.038 1.00 0.09 H new ATOM 0 HB2 LYS A 358 15.853 0.620 -2.485 1.00 0.11 H new ATOM 0 HB3 LYS A 358 17.164 1.770 -2.655 1.00 0.11 H new ATOM 0 HG2 LYS A 358 18.154 -0.376 -2.851 1.00 0.12 H new ATOM 0 HG3 LYS A 358 18.588 0.198 -1.253 1.00 0.12 H new ATOM 0 HD2 LYS A 358 17.770 -1.842 -0.653 1.00 0.09 H new ATOM 0 HD3 LYS A 358 16.263 -0.949 -0.620 1.00 0.09 H new ATOM 0 HE2 LYS A 358 15.767 -1.602 -2.906 1.00 0.09 H new ATOM 0 HE3 LYS A 358 17.331 -2.377 -3.061 1.00 0.09 H new ATOM 0 HZ1 LYS A 358 15.705 -4.032 -2.639 1.00 0.10 H new ATOM 0 HZ2 LYS A 358 16.655 -3.895 -1.238 1.00 0.10 H new ATOM 0 HZ3 LYS A 358 15.103 -3.207 -1.282 1.00 0.10 H new ATOM 357 N ASP A 359 18.288 2.200 0.671 1.00 0.13 N ATOM 358 CA ASP A 359 19.466 2.982 1.057 1.00 0.16 C ATOM 359 C ASP A 359 19.124 4.222 1.852 1.00 0.16 C ATOM 360 O ASP A 359 19.966 5.100 2.036 1.00 0.28 O ATOM 361 CB ASP A 359 20.281 3.414 -0.145 1.00 0.19 C ATOM 362 CG ASP A 359 21.756 3.110 0.003 1.00 0.28 C ATOM 363 OD1 ASP A 359 22.156 1.950 -0.238 1.00 0.43 O ATOM 364 OD2 ASP A 359 22.530 4.032 0.346 1.00 0.39 O1- ATOM 0 H ASP A 359 18.179 1.330 1.193 1.00 0.13 H new ATOM 0 HA ASP A 359 20.047 2.306 1.684 1.00 0.16 H new ATOM 0 HB2 ASP A 359 19.900 2.913 -1.035 1.00 0.19 H new ATOM 0 HB3 ASP A 359 20.150 4.485 -0.301 1.00 0.19 H new ATOM 369 N GLY A 360 17.905 4.258 2.370 1.00 0.15 N ATOM 370 CA GLY A 360 17.402 5.458 3.017 1.00 0.15 C ATOM 371 C GLY A 360 16.947 6.492 2.052 1.00 0.14 C ATOM 372 O GLY A 360 16.570 7.601 2.424 1.00 0.18 O ATOM 0 H GLY A 360 17.251 3.475 2.355 1.00 0.15 H new ATOM 0 HA2 GLY A 360 16.573 5.190 3.672 1.00 0.15 H new ATOM 0 HA3 GLY A 360 18.184 5.878 3.649 1.00 0.15 H new ATOM 376 N LYS A 361 16.946 6.099 0.824 1.00 0.13 N ATOM 377 CA LYS A 361 16.518 6.927 -0.254 1.00 0.13 C ATOM 378 C LYS A 361 15.514 6.095 -1.005 1.00 0.09 C ATOM 379 O LYS A 361 15.265 4.965 -0.616 1.00 0.12 O ATOM 380 CB LYS A 361 17.739 7.249 -1.082 1.00 0.16 C ATOM 381 CG LYS A 361 18.261 6.050 -1.833 1.00 0.17 C ATOM 382 CD LYS A 361 19.291 6.416 -2.852 1.00 0.23 C ATOM 383 CE LYS A 361 18.693 7.319 -3.906 1.00 0.26 C ATOM 384 NZ LYS A 361 19.475 7.299 -5.171 1.00 0.37 N1+ ATOM 0 H LYS A 361 17.250 5.170 0.533 1.00 0.13 H new ATOM 0 HA LYS A 361 16.065 7.872 0.045 1.00 0.13 H new ATOM 0 HB2 LYS A 361 17.495 8.040 -1.791 1.00 0.16 H new ATOM 0 HB3 LYS A 361 18.523 7.636 -0.431 1.00 0.16 H new ATOM 0 HG2 LYS A 361 18.691 5.341 -1.125 1.00 0.17 H new ATOM 0 HG3 LYS A 361 17.431 5.545 -2.326 1.00 0.17 H new ATOM 0 HD2 LYS A 361 20.129 6.917 -2.367 1.00 0.23 H new ATOM 0 HD3 LYS A 361 19.686 5.514 -3.319 1.00 0.23 H new ATOM 0 HE2 LYS A 361 17.668 7.009 -4.109 1.00 0.26 H new ATOM 0 HE3 LYS A 361 18.647 8.339 -3.525 1.00 0.26 H new ATOM 0 HZ1 LYS A 361 19.029 7.932 -5.865 1.00 0.37 H new ATOM 0 HZ2 LYS A 361 20.446 7.620 -4.984 1.00 0.37 H new ATOM 0 HZ3 LYS A 361 19.497 6.331 -5.550 1.00 0.37 H new ATOM 398 N VAL A 362 14.882 6.610 -2.019 1.00 0.09 N ATOM 399 CA VAL A 362 13.857 5.808 -2.632 1.00 0.07 C ATOM 400 C VAL A 362 14.192 5.185 -3.933 1.00 0.07 C ATOM 401 O VAL A 362 15.010 5.665 -4.717 1.00 0.10 O ATOM 402 CB VAL A 362 12.543 6.512 -2.792 1.00 0.07 C ATOM 403 CG1 VAL A 362 12.110 7.034 -1.473 1.00 0.07 C ATOM 404 CG2 VAL A 362 12.599 7.590 -3.804 1.00 0.09 C ATOM 0 H VAL A 362 15.043 7.532 -2.425 1.00 0.09 H new ATOM 0 HA VAL A 362 13.775 5.009 -1.895 1.00 0.07 H new ATOM 0 HB VAL A 362 11.811 5.793 -3.159 1.00 0.07 H new ATOM 0 HG11 VAL A 362 11.155 7.548 -1.581 1.00 0.07 H new ATOM 0 HG12 VAL A 362 12.000 6.206 -0.772 1.00 0.07 H new ATOM 0 HG13 VAL A 362 12.857 7.732 -1.095 1.00 0.07 H new ATOM 0 HG21 VAL A 362 11.622 8.068 -3.881 1.00 0.09 H new ATOM 0 HG22 VAL A 362 13.342 8.330 -3.507 1.00 0.09 H new ATOM 0 HG23 VAL A 362 12.874 7.168 -4.771 1.00 0.09 H new ATOM 414 N ALA A 363 13.436 4.134 -4.152 1.00 0.05 N ATOM 415 CA ALA A 363 13.541 3.319 -5.299 1.00 0.05 C ATOM 416 C ALA A 363 12.345 3.607 -6.136 1.00 0.05 C ATOM 417 O ALA A 363 12.334 3.478 -7.356 1.00 0.07 O ATOM 418 CB ALA A 363 13.549 1.864 -4.885 1.00 0.05 C ATOM 0 H ALA A 363 12.711 3.828 -3.502 1.00 0.05 H new ATOM 0 HA ALA A 363 14.460 3.520 -5.850 1.00 0.05 H new ATOM 0 HB1 ALA A 363 13.630 1.234 -5.771 1.00 0.05 H new ATOM 0 HB2 ALA A 363 14.398 1.677 -4.228 1.00 0.05 H new ATOM 0 HB3 ALA A 363 12.624 1.631 -4.357 1.00 0.05 H new ATOM 424 N LEU A 364 11.337 4.008 -5.406 1.00 0.04 N ATOM 425 CA LEU A 364 10.051 4.283 -5.938 1.00 0.04 C ATOM 426 C LEU A 364 9.517 5.560 -5.419 1.00 0.05 C ATOM 427 O LEU A 364 9.722 5.936 -4.268 1.00 0.06 O ATOM 428 CB LEU A 364 9.130 3.167 -5.540 1.00 0.04 C ATOM 429 CG LEU A 364 8.470 2.477 -6.684 1.00 0.05 C ATOM 430 CD1 LEU A 364 9.510 2.131 -7.703 1.00 0.05 C ATOM 431 CD2 LEU A 364 7.806 1.243 -6.194 1.00 0.05 C ATOM 0 H LEU A 364 11.402 4.153 -4.398 1.00 0.04 H new ATOM 0 HA LEU A 364 10.126 4.364 -7.022 1.00 0.04 H new ATOM 0 HB2 LEU A 364 9.695 2.433 -4.966 1.00 0.04 H new ATOM 0 HB3 LEU A 364 8.361 3.565 -4.879 1.00 0.04 H new ATOM 0 HG LEU A 364 7.721 3.127 -7.136 1.00 0.05 H new ATOM 0 HD11 LEU A 364 9.039 1.625 -8.546 1.00 0.05 H new ATOM 0 HD12 LEU A 364 9.995 3.043 -8.052 1.00 0.05 H new ATOM 0 HD13 LEU A 364 10.254 1.473 -7.254 1.00 0.05 H new ATOM 0 HD21 LEU A 364 7.322 0.735 -7.028 1.00 0.05 H new ATOM 0 HD22 LEU A 364 8.550 0.582 -5.749 1.00 0.05 H new ATOM 0 HD23 LEU A 364 7.059 1.505 -5.445 1.00 0.05 H new ATOM 443 N GLU A 365 8.808 6.192 -6.288 1.00 0.05 N ATOM 444 CA GLU A 365 8.132 7.390 -5.983 1.00 0.06 C ATOM 445 C GLU A 365 6.852 7.291 -6.719 1.00 0.05 C ATOM 446 O GLU A 365 6.848 7.209 -7.946 1.00 0.07 O ATOM 447 CB GLU A 365 8.953 8.548 -6.493 1.00 0.10 C ATOM 448 CG GLU A 365 9.119 9.689 -5.504 1.00 0.16 C ATOM 449 CD GLU A 365 10.224 10.654 -5.887 1.00 0.27 C ATOM 450 OE1 GLU A 365 9.981 11.528 -6.749 1.00 0.45 O1- ATOM 451 OE2 GLU A 365 11.332 10.552 -5.321 1.00 0.48 O ATOM 0 H GLU A 365 8.683 5.878 -7.250 1.00 0.05 H new ATOM 0 HA GLU A 365 7.971 7.542 -4.916 1.00 0.06 H new ATOM 0 HB2 GLU A 365 9.940 8.181 -6.773 1.00 0.10 H new ATOM 0 HB3 GLU A 365 8.488 8.935 -7.400 1.00 0.10 H new ATOM 0 HG2 GLU A 365 8.179 10.235 -5.428 1.00 0.16 H new ATOM 0 HG3 GLU A 365 9.330 9.278 -4.517 1.00 0.16 H new ATOM 458 N THR A 366 5.768 7.290 -6.017 1.00 0.05 N ATOM 459 CA THR A 366 4.545 7.191 -6.695 1.00 0.06 C ATOM 460 C THR A 366 3.447 7.903 -5.968 1.00 0.06 C ATOM 461 O THR A 366 3.565 8.256 -4.815 1.00 0.07 O ATOM 462 CB THR A 366 4.193 5.715 -6.915 1.00 0.06 C ATOM 463 OG1 THR A 366 3.632 5.521 -8.196 1.00 0.07 O ATOM 464 CG2 THR A 366 3.207 5.244 -5.883 1.00 0.07 C ATOM 0 H THR A 366 5.715 7.355 -5.000 1.00 0.05 H new ATOM 0 HA THR A 366 4.651 7.679 -7.664 1.00 0.06 H new ATOM 0 HB THR A 366 5.116 5.142 -6.828 1.00 0.06 H new ATOM 0 HG1 THR A 366 4.110 6.073 -8.850 1.00 0.07 H new ATOM 0 HG21 THR A 366 2.971 4.194 -6.058 1.00 0.07 H new ATOM 0 HG22 THR A 366 3.639 5.358 -4.889 1.00 0.07 H new ATOM 0 HG23 THR A 366 2.295 5.837 -5.953 1.00 0.07 H new ATOM 472 N ASP A 367 2.399 8.107 -6.674 1.00 0.07 N ATOM 473 CA ASP A 367 1.265 8.790 -6.189 1.00 0.09 C ATOM 474 C ASP A 367 0.173 7.795 -5.849 1.00 0.09 C ATOM 475 O ASP A 367 -0.076 6.860 -6.597 1.00 0.11 O ATOM 476 CB ASP A 367 0.881 9.777 -7.278 1.00 0.13 C ATOM 477 CG ASP A 367 0.750 9.175 -8.677 1.00 0.98 C ATOM 478 OD1 ASP A 367 1.619 8.369 -9.081 1.00 1.65 O ATOM 479 OD2 ASP A 367 -0.181 9.561 -9.413 1.00 1.80 O1- ATOM 0 H ASP A 367 2.306 7.791 -7.639 1.00 0.07 H new ATOM 0 HA ASP A 367 1.452 9.334 -5.263 1.00 0.09 H new ATOM 0 HB2 ASP A 367 -0.067 10.242 -7.008 1.00 0.13 H new ATOM 0 HB3 ASP A 367 1.628 10.570 -7.308 1.00 0.13 H new ATOM 484 N ILE A 368 -0.416 7.958 -4.671 1.00 0.09 N ATOM 485 CA ILE A 368 -1.350 6.980 -4.132 1.00 0.08 C ATOM 486 C ILE A 368 -2.571 7.615 -3.560 1.00 0.07 C ATOM 487 O ILE A 368 -2.778 8.822 -3.624 1.00 0.08 O ATOM 488 CB ILE A 368 -0.738 6.142 -3.010 1.00 0.09 C ATOM 489 CG1 ILE A 368 0.043 7.003 -2.058 1.00 0.08 C ATOM 490 CG2 ILE A 368 0.122 5.069 -3.586 1.00 0.12 C ATOM 491 CD1 ILE A 368 -0.792 7.611 -0.946 1.00 0.08 C ATOM 0 H ILE A 368 -0.261 8.765 -4.067 1.00 0.09 H new ATOM 0 HA ILE A 368 -1.604 6.352 -4.986 1.00 0.08 H new ATOM 0 HB ILE A 368 -1.546 5.676 -2.445 1.00 0.09 H new ATOM 0 HG12 ILE A 368 0.840 6.406 -1.615 1.00 0.08 H new ATOM 0 HG13 ILE A 368 0.521 7.806 -2.619 1.00 0.08 H new ATOM 0 HG21 ILE A 368 0.554 4.477 -2.779 1.00 0.12 H new ATOM 0 HG22 ILE A 368 -0.480 4.425 -4.227 1.00 0.12 H new ATOM 0 HG23 ILE A 368 0.922 5.520 -4.174 1.00 0.12 H new ATOM 0 HD11 ILE A 368 -0.155 8.218 -0.303 1.00 0.08 H new ATOM 0 HD12 ILE A 368 -1.573 8.237 -1.378 1.00 0.08 H new ATOM 0 HD13 ILE A 368 -1.249 6.815 -0.358 1.00 0.08 H new ATOM 503 N VAL A 369 -3.347 6.760 -2.956 1.00 0.07 N ATOM 504 CA VAL A 369 -4.498 7.152 -2.200 1.00 0.08 C ATOM 505 C VAL A 369 -4.737 6.106 -1.128 1.00 0.09 C ATOM 506 O VAL A 369 -4.845 4.912 -1.404 1.00 0.10 O ATOM 507 CB VAL A 369 -5.760 7.395 -3.087 1.00 0.08 C ATOM 508 CG1 VAL A 369 -5.492 7.099 -4.569 1.00 0.10 C ATOM 509 CG2 VAL A 369 -6.964 6.604 -2.584 1.00 0.09 C ATOM 0 H VAL A 369 -3.192 5.752 -2.977 1.00 0.07 H new ATOM 0 HA VAL A 369 -4.304 8.118 -1.734 1.00 0.08 H new ATOM 0 HB VAL A 369 -5.997 8.456 -3.004 1.00 0.08 H new ATOM 0 HG11 VAL A 369 -6.398 7.282 -5.146 1.00 0.10 H new ATOM 0 HG12 VAL A 369 -4.694 7.747 -4.931 1.00 0.10 H new ATOM 0 HG13 VAL A 369 -5.193 6.057 -4.684 1.00 0.10 H new ATOM 0 HG21 VAL A 369 -7.822 6.799 -3.227 1.00 0.09 H new ATOM 0 HG22 VAL A 369 -6.733 5.539 -2.601 1.00 0.09 H new ATOM 0 HG23 VAL A 369 -7.198 6.908 -1.564 1.00 0.09 H new ATOM 519 N SER A 370 -4.705 6.574 0.098 1.00 0.09 N ATOM 520 CA SER A 370 -4.915 5.736 1.264 1.00 0.08 C ATOM 521 C SER A 370 -6.402 5.466 1.461 1.00 0.08 C ATOM 522 O SER A 370 -7.191 5.714 0.552 1.00 0.10 O ATOM 523 CB SER A 370 -4.248 6.310 2.518 1.00 0.13 C ATOM 524 OG SER A 370 -3.557 5.294 3.192 1.00 1.26 O ATOM 0 H SER A 370 -4.531 7.554 0.320 1.00 0.09 H new ATOM 0 HA SER A 370 -4.426 4.778 1.086 1.00 0.08 H new ATOM 0 HB2 SER A 370 -3.561 7.110 2.242 1.00 0.13 H new ATOM 0 HB3 SER A 370 -5.000 6.748 3.174 1.00 0.13 H new ATOM 0 HG SER A 370 -4.087 4.470 3.173 1.00 1.26 H new ATOM 530 N GLY A 371 -6.802 4.918 2.588 1.00 0.09 N ATOM 531 CA GLY A 371 -8.186 4.529 2.714 1.00 0.12 C ATOM 532 C GLY A 371 -9.076 5.674 3.160 1.00 0.12 C ATOM 533 O GLY A 371 -8.592 6.752 3.516 1.00 0.14 O ATOM 0 H GLY A 371 -6.213 4.737 3.401 1.00 0.09 H new ATOM 0 HA2 GLY A 371 -8.541 4.149 1.756 1.00 0.12 H new ATOM 0 HA3 GLY A 371 -8.266 3.711 3.430 1.00 0.12 H new ATOM 537 N LYS A 372 -10.377 5.435 3.105 1.00 0.16 N ATOM 538 CA LYS A 372 -11.377 6.493 3.222 1.00 0.16 C ATOM 539 C LYS A 372 -11.484 7.011 4.661 1.00 0.18 C ATOM 540 O LYS A 372 -11.161 6.320 5.610 1.00 0.21 O ATOM 541 CB LYS A 372 -12.728 5.943 2.750 1.00 0.19 C ATOM 542 CG LYS A 372 -13.388 5.026 3.745 1.00 0.27 C ATOM 543 CD LYS A 372 -13.900 3.779 3.077 1.00 0.47 C ATOM 544 CE LYS A 372 -15.023 4.114 2.137 1.00 0.81 C ATOM 545 NZ LYS A 372 -15.462 2.943 1.333 1.00 0.79 N1+ ATOM 0 H LYS A 372 -10.773 4.503 2.978 1.00 0.16 H new ATOM 0 HA LYS A 372 -11.076 7.336 2.599 1.00 0.16 H new ATOM 0 HB2 LYS A 372 -13.397 6.778 2.539 1.00 0.19 H new ATOM 0 HB3 LYS A 372 -12.584 5.405 1.813 1.00 0.19 H new ATOM 0 HG2 LYS A 372 -12.676 4.758 4.525 1.00 0.27 H new ATOM 0 HG3 LYS A 372 -14.213 5.546 4.232 1.00 0.27 H new ATOM 0 HD2 LYS A 372 -13.092 3.293 2.530 1.00 0.47 H new ATOM 0 HD3 LYS A 372 -14.246 3.071 3.830 1.00 0.47 H new ATOM 0 HE2 LYS A 372 -15.869 4.496 2.708 1.00 0.81 H new ATOM 0 HE3 LYS A 372 -14.705 4.912 1.466 1.00 0.81 H new ATOM 0 HZ1 LYS A 372 -16.455 3.068 1.051 1.00 0.79 H new ATOM 0 HZ2 LYS A 372 -14.868 2.863 0.483 1.00 0.79 H new ATOM 0 HZ3 LYS A 372 -15.370 2.077 1.902 1.00 0.79 H new ATOM 559 N PRO A 373 -11.952 8.274 4.799 1.00 0.19 N ATOM 560 CA PRO A 373 -12.018 9.026 6.072 1.00 0.21 C ATOM 561 C PRO A 373 -12.770 8.313 7.153 1.00 0.24 C ATOM 562 O PRO A 373 -12.585 8.561 8.342 1.00 0.28 O ATOM 563 CB PRO A 373 -12.855 10.226 5.690 1.00 0.23 C ATOM 564 CG PRO A 373 -12.524 10.457 4.285 1.00 0.21 C ATOM 565 CD PRO A 373 -12.465 9.092 3.692 1.00 0.19 C ATOM 0 HA PRO A 373 -11.017 9.215 6.459 1.00 0.21 H new ATOM 0 HB2 PRO A 373 -13.919 10.029 5.822 1.00 0.23 H new ATOM 0 HB3 PRO A 373 -12.613 11.093 6.305 1.00 0.23 H new ATOM 0 HG2 PRO A 373 -13.279 11.072 3.794 1.00 0.21 H new ATOM 0 HG3 PRO A 373 -11.572 10.978 4.181 1.00 0.21 H new ATOM 0 HD2 PRO A 373 -13.446 8.753 3.361 1.00 0.19 H new ATOM 0 HD3 PRO A 373 -11.806 9.057 2.825 1.00 0.19 H new ATOM 573 N THR A 374 -13.693 7.508 6.704 1.00 0.25 N ATOM 574 CA THR A 374 -14.577 6.786 7.591 1.00 0.28 C ATOM 575 C THR A 374 -13.808 5.671 8.280 1.00 0.30 C ATOM 576 O THR A 374 -14.072 5.311 9.428 1.00 0.33 O ATOM 577 CB THR A 374 -15.765 6.192 6.819 1.00 0.29 C ATOM 578 OG1 THR A 374 -15.330 5.100 6.006 1.00 0.29 O ATOM 579 CG2 THR A 374 -16.373 7.244 5.926 1.00 0.29 C ATOM 0 H THR A 374 -13.858 7.331 5.713 1.00 0.25 H new ATOM 0 HA THR A 374 -14.963 7.483 8.335 1.00 0.28 H new ATOM 0 HB THR A 374 -16.503 5.841 7.540 1.00 0.29 H new ATOM 0 HG1 THR A 374 -16.096 4.728 5.520 1.00 0.29 H new ATOM 0 HG21 THR A 374 -17.215 6.817 5.381 1.00 0.29 H new ATOM 0 HG22 THR A 374 -16.720 8.080 6.533 1.00 0.29 H new ATOM 0 HG23 THR A 374 -15.624 7.597 5.217 1.00 0.29 H new ATOM 587 N THR A 375 -12.845 5.151 7.544 1.00 0.28 N ATOM 588 CA THR A 375 -11.966 4.096 8.013 1.00 0.31 C ATOM 589 C THR A 375 -10.554 4.333 7.514 1.00 0.29 C ATOM 590 O THR A 375 -10.012 3.637 6.648 1.00 0.29 O ATOM 591 CB THR A 375 -12.488 2.727 7.614 1.00 0.34 C ATOM 592 OG1 THR A 375 -11.459 1.730 7.702 1.00 0.39 O ATOM 593 CG2 THR A 375 -13.069 2.773 6.213 1.00 0.31 C ATOM 0 H THR A 375 -12.648 5.453 6.590 1.00 0.28 H new ATOM 0 HA THR A 375 -11.944 4.118 9.103 1.00 0.31 H new ATOM 0 HB THR A 375 -13.278 2.450 8.312 1.00 0.34 H new ATOM 0 HG1 THR A 375 -10.753 1.930 7.052 1.00 0.39 H new ATOM 0 HG21 THR A 375 -13.439 1.785 5.940 1.00 0.31 H new ATOM 0 HG22 THR A 375 -13.890 3.489 6.183 1.00 0.31 H new ATOM 0 HG23 THR A 375 -12.295 3.078 5.508 1.00 0.31 H new ATOM 601 N PRO A 376 -9.982 5.356 8.102 1.00 0.28 N ATOM 602 CA PRO A 376 -8.697 5.937 7.758 1.00 0.26 C ATOM 603 C PRO A 376 -7.548 4.979 7.859 1.00 0.26 C ATOM 604 O PRO A 376 -7.613 3.972 8.568 1.00 0.38 O ATOM 605 CB PRO A 376 -8.567 7.042 8.798 1.00 0.29 C ATOM 606 CG PRO A 376 -9.948 7.382 9.097 1.00 0.32 C ATOM 607 CD PRO A 376 -10.597 6.063 9.199 1.00 0.32 C ATOM 0 HA PRO A 376 -8.662 6.267 6.720 1.00 0.26 H new ATOM 0 HB2 PRO A 376 -8.036 6.699 9.686 1.00 0.29 H new ATOM 0 HB3 PRO A 376 -8.017 7.899 8.409 1.00 0.29 H new ATOM 0 HG2 PRO A 376 -10.033 7.947 10.025 1.00 0.32 H new ATOM 0 HG3 PRO A 376 -10.393 7.992 8.311 1.00 0.32 H new ATOM 0 HD2 PRO A 376 -10.402 5.583 10.158 1.00 0.32 H new ATOM 0 HD3 PRO A 376 -11.680 6.129 9.090 1.00 0.32 H new ATOM 615 N THR A 377 -6.494 5.293 7.147 1.00 0.17 N ATOM 616 CA THR A 377 -5.304 4.524 7.262 1.00 0.21 C ATOM 617 C THR A 377 -4.500 5.061 8.452 1.00 0.17 C ATOM 618 O THR A 377 -4.559 6.250 8.774 1.00 0.21 O ATOM 619 CB THR A 377 -4.486 4.534 5.949 1.00 0.33 C ATOM 620 OG1 THR A 377 -4.050 3.204 5.639 1.00 0.82 O ATOM 621 CG2 THR A 377 -3.277 5.439 6.041 1.00 0.22 C ATOM 0 H THR A 377 -6.446 6.071 6.490 1.00 0.17 H new ATOM 0 HA THR A 377 -5.556 3.479 7.441 1.00 0.21 H new ATOM 0 HB THR A 377 -5.138 4.915 5.163 1.00 0.33 H new ATOM 0 HG1 THR A 377 -4.761 2.731 5.158 1.00 0.82 H new ATOM 0 HG21 THR A 377 -2.732 5.415 5.097 1.00 0.22 H new ATOM 0 HG22 THR A 377 -3.601 6.459 6.248 1.00 0.22 H new ATOM 0 HG23 THR A 377 -2.626 5.095 6.845 1.00 0.22 H new ATOM 629 N PRO A 378 -3.771 4.172 9.132 1.00 0.14 N ATOM 630 CA PRO A 378 -3.183 4.427 10.447 1.00 0.15 C ATOM 631 C PRO A 378 -1.933 5.277 10.364 1.00 0.13 C ATOM 632 O PRO A 378 -1.738 6.198 11.156 1.00 0.16 O ATOM 633 CB PRO A 378 -2.821 3.006 10.915 1.00 0.17 C ATOM 634 CG PRO A 378 -3.530 2.103 9.969 1.00 0.19 C ATOM 635 CD PRO A 378 -3.434 2.829 8.685 1.00 0.17 C ATOM 0 HA PRO A 378 -3.855 4.973 11.109 1.00 0.15 H new ATOM 0 HB2 PRO A 378 -1.744 2.842 10.886 1.00 0.17 H new ATOM 0 HB3 PRO A 378 -3.142 2.834 11.942 1.00 0.17 H new ATOM 0 HG2 PRO A 378 -3.057 1.122 9.915 1.00 0.19 H new ATOM 0 HG3 PRO A 378 -4.566 1.941 10.265 1.00 0.19 H new ATOM 0 HD2 PRO A 378 -2.437 2.773 8.247 1.00 0.17 H new ATOM 0 HD3 PRO A 378 -4.132 2.450 7.938 1.00 0.17 H new ATOM 643 N ALA A 379 -1.119 4.948 9.378 1.00 0.11 N ATOM 644 CA ALA A 379 0.196 5.531 9.171 1.00 0.10 C ATOM 645 C ALA A 379 1.125 5.434 10.372 1.00 0.10 C ATOM 646 O ALA A 379 0.766 5.649 11.531 1.00 0.13 O ATOM 647 CB ALA A 379 0.125 6.944 8.633 1.00 0.11 C ATOM 0 H ALA A 379 -1.361 4.247 8.678 1.00 0.11 H new ATOM 0 HA ALA A 379 0.651 4.906 8.402 1.00 0.10 H new ATOM 0 HB1 ALA A 379 1.134 7.333 8.497 1.00 0.11 H new ATOM 0 HB2 ALA A 379 -0.396 6.943 7.676 1.00 0.11 H new ATOM 0 HB3 ALA A 379 -0.414 7.575 9.339 1.00 0.11 H new ATOM 653 N GLY A 380 2.340 5.109 10.025 1.00 0.10 N ATOM 654 CA GLY A 380 3.408 4.919 10.960 1.00 0.11 C ATOM 655 C GLY A 380 4.402 3.938 10.397 1.00 0.12 C ATOM 656 O GLY A 380 5.096 4.237 9.431 1.00 0.20 O ATOM 0 H GLY A 380 2.620 4.965 9.055 1.00 0.10 H new ATOM 0 HA2 GLY A 380 3.898 5.871 11.167 1.00 0.11 H new ATOM 0 HA3 GLY A 380 3.015 4.551 11.907 1.00 0.11 H new ATOM 660 N VAL A 381 4.447 2.760 10.984 1.00 0.12 N ATOM 661 CA VAL A 381 5.272 1.688 10.474 1.00 0.13 C ATOM 662 C VAL A 381 4.444 0.405 10.367 1.00 0.15 C ATOM 663 O VAL A 381 3.787 -0.017 11.324 1.00 0.25 O ATOM 664 CB VAL A 381 6.500 1.477 11.382 1.00 0.17 C ATOM 665 CG1 VAL A 381 6.149 0.698 12.640 1.00 0.79 C ATOM 666 CG2 VAL A 381 7.633 0.802 10.620 1.00 0.82 C ATOM 0 H VAL A 381 3.917 2.521 11.822 1.00 0.12 H new ATOM 0 HA VAL A 381 5.631 1.954 9.480 1.00 0.13 H new ATOM 0 HB VAL A 381 6.841 2.463 11.698 1.00 0.17 H new ATOM 0 HG11 VAL A 381 7.043 0.572 13.251 1.00 0.79 H new ATOM 0 HG12 VAL A 381 5.395 1.244 13.208 1.00 0.79 H new ATOM 0 HG13 VAL A 381 5.757 -0.281 12.364 1.00 0.79 H new ATOM 0 HG21 VAL A 381 8.487 0.665 11.284 1.00 0.82 H new ATOM 0 HG22 VAL A 381 7.298 -0.169 10.255 1.00 0.82 H new ATOM 0 HG23 VAL A 381 7.926 1.426 9.776 1.00 0.82 H new ATOM 676 N PHE A 382 4.410 -0.166 9.185 1.00 0.09 N ATOM 677 CA PHE A 382 3.795 -1.453 8.980 1.00 0.09 C ATOM 678 C PHE A 382 4.850 -2.374 8.361 1.00 0.09 C ATOM 679 O PHE A 382 6.010 -1.979 8.255 1.00 0.10 O ATOM 680 CB PHE A 382 2.523 -1.355 8.124 1.00 0.10 C ATOM 681 CG PHE A 382 1.670 -0.147 8.421 1.00 0.11 C ATOM 682 CD1 PHE A 382 1.274 0.138 9.719 1.00 0.18 C ATOM 683 CD2 PHE A 382 1.278 0.725 7.406 1.00 0.12 C ATOM 684 CE1 PHE A 382 0.514 1.250 10.000 1.00 0.22 C ATOM 685 CE2 PHE A 382 0.522 1.836 7.692 1.00 0.15 C ATOM 686 CZ PHE A 382 0.140 2.099 8.988 1.00 0.18 C ATOM 0 H PHE A 382 4.807 0.249 8.342 1.00 0.09 H new ATOM 0 HA PHE A 382 3.461 -1.866 9.932 1.00 0.09 H new ATOM 0 HB2 PHE A 382 2.807 -1.336 7.072 1.00 0.10 H new ATOM 0 HB3 PHE A 382 1.926 -2.254 8.276 1.00 0.10 H new ATOM 0 HD1 PHE A 382 1.567 -0.523 10.522 1.00 0.18 H new ATOM 0 HD2 PHE A 382 1.571 0.525 6.386 1.00 0.12 H new ATOM 0 HE1 PHE A 382 0.212 1.455 11.016 1.00 0.22 H new ATOM 0 HE2 PHE A 382 0.227 2.505 6.897 1.00 0.15 H new ATOM 0 HZ PHE A 382 -0.454 2.973 9.209 1.00 0.18 H new ATOM 696 N TYR A 383 4.506 -3.584 7.973 1.00 0.11 N ATOM 697 CA TYR A 383 5.546 -4.524 7.568 1.00 0.11 C ATOM 698 C TYR A 383 5.154 -5.357 6.354 1.00 0.11 C ATOM 699 O TYR A 383 4.137 -6.042 6.366 1.00 0.13 O ATOM 700 CB TYR A 383 5.805 -5.445 8.750 1.00 0.13 C ATOM 701 CG TYR A 383 7.254 -5.796 8.946 1.00 0.21 C ATOM 702 CD1 TYR A 383 8.203 -4.807 9.153 1.00 0.25 C ATOM 703 CD2 TYR A 383 7.672 -7.117 8.907 1.00 0.37 C ATOM 704 CE1 TYR A 383 9.534 -5.121 9.309 1.00 0.39 C ATOM 705 CE2 TYR A 383 8.998 -7.449 9.072 1.00 0.49 C ATOM 706 CZ TYR A 383 9.923 -6.439 9.347 1.00 0.50 C ATOM 707 OH TYR A 383 11.263 -6.772 9.405 1.00 0.65 O ATOM 0 H TYR A 383 3.550 -3.938 7.927 1.00 0.11 H new ATOM 0 HA TYR A 383 6.434 -3.960 7.282 1.00 0.11 H new ATOM 0 HB2 TYR A 383 5.431 -4.969 9.657 1.00 0.13 H new ATOM 0 HB3 TYR A 383 5.234 -6.364 8.613 1.00 0.13 H new ATOM 0 HD1 TYR A 383 7.893 -3.773 9.193 1.00 0.25 H new ATOM 0 HD2 TYR A 383 6.945 -7.899 8.744 1.00 0.37 H new ATOM 0 HE1 TYR A 383 10.269 -4.335 9.401 1.00 0.39 H new ATOM 0 HE2 TYR A 383 9.319 -8.477 8.990 1.00 0.49 H new ATOM 0 HH TYR A 383 11.680 -6.602 8.535 1.00 0.65 H new ATOM 717 N VAL A 384 5.972 -5.296 5.297 1.00 0.09 N ATOM 718 CA VAL A 384 5.819 -6.222 4.187 1.00 0.09 C ATOM 719 C VAL A 384 6.671 -7.432 4.438 1.00 0.13 C ATOM 720 O VAL A 384 7.848 -7.519 4.076 1.00 0.16 O ATOM 721 CB VAL A 384 6.137 -5.641 2.796 1.00 0.07 C ATOM 722 CG1 VAL A 384 7.426 -4.870 2.817 1.00 0.07 C ATOM 723 CG2 VAL A 384 6.188 -6.754 1.739 1.00 0.08 C ATOM 0 H VAL A 384 6.733 -4.624 5.194 1.00 0.09 H new ATOM 0 HA VAL A 384 4.759 -6.473 4.153 1.00 0.09 H new ATOM 0 HB VAL A 384 5.336 -4.952 2.529 1.00 0.07 H new ATOM 0 HG11 VAL A 384 7.627 -4.471 1.823 1.00 0.07 H new ATOM 0 HG12 VAL A 384 7.347 -4.049 3.529 1.00 0.07 H new ATOM 0 HG13 VAL A 384 8.240 -5.531 3.114 1.00 0.07 H new ATOM 0 HG21 VAL A 384 6.414 -6.320 0.765 1.00 0.08 H new ATOM 0 HG22 VAL A 384 6.963 -7.473 2.005 1.00 0.08 H new ATOM 0 HG23 VAL A 384 5.223 -7.260 1.696 1.00 0.08 H new ATOM 733 N TRP A 385 6.043 -8.369 5.062 1.00 0.18 N ATOM 734 CA TRP A 385 6.660 -9.624 5.357 1.00 0.23 C ATOM 735 C TRP A 385 6.312 -10.588 4.239 1.00 0.12 C ATOM 736 O TRP A 385 6.537 -11.795 4.322 1.00 0.21 O ATOM 737 CB TRP A 385 6.256 -10.118 6.751 1.00 0.48 C ATOM 738 CG TRP A 385 4.774 -10.079 6.999 1.00 0.45 C ATOM 739 CD1 TRP A 385 4.028 -8.992 7.384 1.00 0.57 C ATOM 740 CD2 TRP A 385 3.855 -11.170 6.886 1.00 1.08 C ATOM 741 NE1 TRP A 385 2.714 -9.349 7.517 1.00 1.17 N ATOM 742 CE2 TRP A 385 2.581 -10.676 7.215 1.00 1.54 C ATOM 743 CE3 TRP A 385 3.985 -12.515 6.537 1.00 1.37 C ATOM 744 CZ2 TRP A 385 1.448 -11.474 7.207 1.00 2.27 C ATOM 745 CZ3 TRP A 385 2.856 -13.311 6.528 1.00 2.11 C ATOM 746 CH2 TRP A 385 1.600 -12.788 6.860 1.00 2.55 C ATOM 0 H TRP A 385 5.079 -8.289 5.386 1.00 0.18 H new ATOM 0 HA TRP A 385 7.745 -9.530 5.397 1.00 0.23 H new ATOM 0 HB2 TRP A 385 6.611 -11.140 6.882 1.00 0.48 H new ATOM 0 HB3 TRP A 385 6.758 -9.508 7.503 1.00 0.48 H new ATOM 0 HD1 TRP A 385 4.421 -8.001 7.556 1.00 0.57 H new ATOM 0 HE1 TRP A 385 1.956 -8.726 7.796 1.00 1.17 H new ATOM 0 HE3 TRP A 385 4.950 -12.926 6.279 1.00 1.37 H new ATOM 0 HZ2 TRP A 385 0.479 -11.072 7.466 1.00 2.27 H new ATOM 0 HZ3 TRP A 385 2.943 -14.354 6.261 1.00 2.11 H new ATOM 0 HH2 TRP A 385 0.735 -13.435 6.842 1.00 2.55 H new ATOM 757 N ASN A 386 5.762 -9.997 3.174 1.00 0.10 N ATOM 758 CA ASN A 386 5.493 -10.698 1.931 1.00 0.14 C ATOM 759 C ASN A 386 5.136 -9.698 0.834 1.00 0.11 C ATOM 760 O ASN A 386 4.246 -8.879 0.986 1.00 0.12 O ATOM 761 CB ASN A 386 4.338 -11.672 2.147 1.00 0.27 C ATOM 762 CG ASN A 386 4.019 -12.500 0.915 1.00 0.33 C ATOM 763 OD1 ASN A 386 4.588 -13.570 0.712 1.00 0.43 O ATOM 764 ND2 ASN A 386 3.099 -12.024 0.099 1.00 0.31 N ATOM 0 H ASN A 386 5.492 -9.013 3.158 1.00 0.10 H new ATOM 0 HA ASN A 386 6.382 -11.249 1.623 1.00 0.14 H new ATOM 0 HB2 ASN A 386 4.583 -12.340 2.973 1.00 0.27 H new ATOM 0 HB3 ASN A 386 3.450 -11.113 2.442 1.00 0.27 H new ATOM 0 HD21 ASN A 386 2.837 -12.548 -0.736 1.00 0.31 H new ATOM 0 HD22 ASN A 386 2.649 -11.131 0.302 1.00 0.31 H new ATOM 771 N LYS A 387 5.875 -9.776 -0.256 1.00 0.11 N ATOM 772 CA LYS A 387 5.573 -9.058 -1.500 1.00 0.09 C ATOM 773 C LYS A 387 4.927 -10.022 -2.482 1.00 0.08 C ATOM 774 O LYS A 387 5.304 -11.193 -2.539 1.00 0.13 O ATOM 775 CB LYS A 387 6.854 -8.464 -2.118 1.00 0.13 C ATOM 776 CG LYS A 387 8.154 -8.889 -1.449 1.00 0.38 C ATOM 777 CD LYS A 387 8.420 -10.357 -1.668 1.00 0.20 C ATOM 778 CE LYS A 387 9.030 -10.639 -3.020 1.00 0.40 C ATOM 779 NZ LYS A 387 10.346 -9.967 -3.214 1.00 1.12 N1+ ATOM 0 H LYS A 387 6.718 -10.347 -0.313 1.00 0.11 H new ATOM 0 HA LYS A 387 4.892 -8.237 -1.278 1.00 0.09 H new ATOM 0 HB2 LYS A 387 6.896 -8.747 -3.170 1.00 0.13 H new ATOM 0 HB3 LYS A 387 6.785 -7.377 -2.083 1.00 0.13 H new ATOM 0 HG2 LYS A 387 8.981 -8.302 -1.848 1.00 0.38 H new ATOM 0 HG3 LYS A 387 8.102 -8.681 -0.380 1.00 0.38 H new ATOM 0 HD2 LYS A 387 9.088 -10.722 -0.888 1.00 0.20 H new ATOM 0 HD3 LYS A 387 7.486 -10.910 -1.572 1.00 0.20 H new ATOM 0 HE2 LYS A 387 9.156 -11.715 -3.139 1.00 0.40 H new ATOM 0 HE3 LYS A 387 8.342 -10.311 -3.799 1.00 0.40 H new ATOM 0 HZ1 LYS A 387 10.295 -9.336 -4.039 1.00 1.12 H new ATOM 0 HZ2 LYS A 387 10.580 -9.411 -2.367 1.00 1.12 H new ATOM 0 HZ3 LYS A 387 11.082 -10.684 -3.372 1.00 1.12 H new ATOM 793 N GLU A 388 3.970 -9.523 -3.255 1.00 0.09 N ATOM 794 CA GLU A 388 3.095 -10.384 -4.047 1.00 0.10 C ATOM 795 C GLU A 388 3.024 -10.041 -5.520 1.00 0.10 C ATOM 796 O GLU A 388 3.289 -8.920 -5.934 1.00 0.10 O ATOM 797 CB GLU A 388 1.701 -10.283 -3.486 1.00 0.09 C ATOM 798 CG GLU A 388 1.435 -11.249 -2.407 1.00 0.15 C ATOM 799 CD GLU A 388 1.633 -12.687 -2.837 1.00 0.38 C ATOM 800 OE1 GLU A 388 1.046 -13.099 -3.859 1.00 0.69 O ATOM 801 OE2 GLU A 388 2.391 -13.410 -2.161 1.00 0.71 O1- ATOM 0 H GLU A 388 3.779 -8.526 -3.351 1.00 0.09 H new ATOM 0 HA GLU A 388 3.519 -11.386 -3.981 1.00 0.10 H new ATOM 0 HB2 GLU A 388 1.542 -9.273 -3.107 1.00 0.09 H new ATOM 0 HB3 GLU A 388 0.981 -10.439 -4.290 1.00 0.09 H new ATOM 0 HG2 GLU A 388 2.092 -11.034 -1.564 1.00 0.15 H new ATOM 0 HG3 GLU A 388 0.412 -11.119 -2.055 1.00 0.15 H new ATOM 808 N GLU A 389 2.619 -11.054 -6.273 1.00 0.10 N ATOM 809 CA GLU A 389 2.349 -10.968 -7.688 1.00 0.11 C ATOM 810 C GLU A 389 1.101 -11.760 -7.994 1.00 0.16 C ATOM 811 O GLU A 389 1.014 -12.946 -7.658 1.00 0.28 O ATOM 812 CB GLU A 389 3.492 -11.519 -8.512 1.00 0.14 C ATOM 813 CG GLU A 389 4.677 -10.597 -8.588 1.00 0.16 C ATOM 814 CD GLU A 389 5.767 -11.115 -9.507 1.00 0.27 C ATOM 815 OE1 GLU A 389 6.415 -12.128 -9.170 1.00 0.33 O1- ATOM 816 OE2 GLU A 389 5.971 -10.516 -10.589 1.00 0.38 O ATOM 0 H GLU A 389 2.466 -11.989 -5.895 1.00 0.10 H new ATOM 0 HA GLU A 389 2.221 -9.917 -7.946 1.00 0.11 H new ATOM 0 HB2 GLU A 389 3.810 -12.471 -8.087 1.00 0.14 H new ATOM 0 HB3 GLU A 389 3.136 -11.724 -9.522 1.00 0.14 H new ATOM 0 HG2 GLU A 389 4.348 -9.618 -8.937 1.00 0.16 H new ATOM 0 HG3 GLU A 389 5.087 -10.457 -7.588 1.00 0.16 H new ATOM 823 N ASP A 390 0.161 -11.106 -8.647 1.00 0.12 N ATOM 824 CA ASP A 390 -1.157 -11.663 -8.902 1.00 0.15 C ATOM 825 C ASP A 390 -1.756 -12.158 -7.589 1.00 0.16 C ATOM 826 O ASP A 390 -2.173 -13.306 -7.429 1.00 0.25 O ATOM 827 CB ASP A 390 -1.077 -12.751 -9.964 1.00 0.19 C ATOM 828 CG ASP A 390 -2.413 -13.429 -10.234 1.00 0.28 C ATOM 829 OD1 ASP A 390 -3.435 -12.720 -10.363 1.00 0.41 O ATOM 830 OD2 ASP A 390 -2.446 -14.674 -10.337 1.00 0.36 O1- ATOM 0 H ASP A 390 0.289 -10.165 -9.020 1.00 0.12 H new ATOM 0 HA ASP A 390 -1.821 -10.895 -9.298 1.00 0.15 H new ATOM 0 HB2 ASP A 390 -0.704 -12.317 -10.892 1.00 0.19 H new ATOM 0 HB3 ASP A 390 -0.353 -13.503 -9.650 1.00 0.19 H new ATOM 835 N ALA A 391 -1.730 -11.241 -6.637 1.00 0.12 N ATOM 836 CA ALA A 391 -2.304 -11.420 -5.327 1.00 0.11 C ATOM 837 C ALA A 391 -3.778 -11.123 -5.393 1.00 0.10 C ATOM 838 O ALA A 391 -4.266 -10.601 -6.382 1.00 0.11 O ATOM 839 CB ALA A 391 -1.660 -10.447 -4.375 1.00 0.10 C ATOM 0 H ALA A 391 -1.295 -10.327 -6.764 1.00 0.12 H new ATOM 0 HA ALA A 391 -2.142 -12.443 -4.988 1.00 0.11 H new ATOM 0 HB1 ALA A 391 -2.087 -10.574 -3.380 1.00 0.10 H new ATOM 0 HB2 ALA A 391 -0.587 -10.633 -4.335 1.00 0.10 H new ATOM 0 HB3 ALA A 391 -1.839 -9.428 -4.719 1.00 0.10 H new ATOM 845 N THR A 392 -4.502 -11.471 -4.371 1.00 0.11 N ATOM 846 CA THR A 392 -5.865 -11.013 -4.275 1.00 0.11 C ATOM 847 C THR A 392 -6.164 -10.472 -2.904 1.00 0.11 C ATOM 848 O THR A 392 -6.046 -11.164 -1.892 1.00 0.14 O ATOM 849 CB THR A 392 -6.888 -12.088 -4.657 1.00 0.15 C ATOM 850 OG1 THR A 392 -6.518 -12.705 -5.895 1.00 0.17 O ATOM 851 CG2 THR A 392 -8.269 -11.467 -4.794 1.00 0.15 C ATOM 0 H THR A 392 -4.183 -12.060 -3.602 1.00 0.11 H new ATOM 0 HA THR A 392 -5.962 -10.207 -5.003 1.00 0.11 H new ATOM 0 HB THR A 392 -6.908 -12.844 -3.872 1.00 0.15 H new ATOM 0 HG1 THR A 392 -7.178 -13.391 -6.129 1.00 0.17 H new ATOM 0 HG21 THR A 392 -8.990 -12.238 -5.066 1.00 0.15 H new ATOM 0 HG22 THR A 392 -8.561 -11.016 -3.846 1.00 0.15 H new ATOM 0 HG23 THR A 392 -8.248 -10.701 -5.569 1.00 0.15 H new ATOM 859 N LEU A 393 -6.545 -9.222 -2.898 1.00 0.10 N ATOM 860 CA LEU A 393 -6.881 -8.515 -1.680 1.00 0.12 C ATOM 861 C LEU A 393 -8.252 -8.882 -1.194 1.00 0.15 C ATOM 862 O LEU A 393 -9.251 -8.243 -1.510 1.00 0.16 O ATOM 863 CB LEU A 393 -6.795 -7.036 -1.950 1.00 0.11 C ATOM 864 CG LEU A 393 -5.417 -6.407 -1.866 1.00 0.25 C ATOM 865 CD1 LEU A 393 -4.384 -7.342 -2.420 1.00 0.57 C ATOM 866 CD2 LEU A 393 -5.403 -5.135 -2.667 1.00 0.51 C ATOM 0 H LEU A 393 -6.633 -8.657 -3.743 1.00 0.10 H new ATOM 0 HA LEU A 393 -6.178 -8.796 -0.896 1.00 0.12 H new ATOM 0 HB2 LEU A 393 -7.195 -6.848 -2.947 1.00 0.11 H new ATOM 0 HB3 LEU A 393 -7.447 -6.523 -1.243 1.00 0.11 H new ATOM 0 HG LEU A 393 -5.188 -6.198 -0.821 1.00 0.25 H new ATOM 0 HD11 LEU A 393 -3.400 -6.878 -2.353 1.00 0.57 H new ATOM 0 HD12 LEU A 393 -4.387 -8.269 -1.847 1.00 0.57 H new ATOM 0 HD13 LEU A 393 -4.613 -7.560 -3.463 1.00 0.57 H new ATOM 0 HD21 LEU A 393 -4.414 -4.680 -2.609 1.00 0.51 H new ATOM 0 HD22 LEU A 393 -5.640 -5.358 -3.707 1.00 0.51 H new ATOM 0 HD23 LEU A 393 -6.145 -4.444 -2.266 1.00 0.51 H new ATOM 878 N LYS A 394 -8.264 -9.923 -0.435 1.00 0.18 N ATOM 879 CA LYS A 394 -9.459 -10.447 0.162 1.00 0.23 C ATOM 880 C LYS A 394 -9.568 -10.167 1.628 1.00 0.29 C ATOM 881 O LYS A 394 -8.722 -9.503 2.232 1.00 0.29 O ATOM 882 CB LYS A 394 -9.404 -11.898 -0.050 1.00 0.25 C ATOM 883 CG LYS A 394 -9.460 -12.205 -1.472 1.00 0.23 C ATOM 884 CD LYS A 394 -9.913 -13.563 -1.633 1.00 0.27 C ATOM 885 CE LYS A 394 -9.330 -14.034 -2.886 1.00 0.27 C ATOM 886 NZ LYS A 394 -9.572 -15.476 -3.155 1.00 0.33 N1+ ATOM 0 H LYS A 394 -7.424 -10.453 -0.202 1.00 0.18 H new ATOM 0 HA LYS A 394 -10.327 -9.972 -0.294 1.00 0.23 H new ATOM 0 HB2 LYS A 394 -8.487 -12.300 0.380 1.00 0.25 H new ATOM 0 HB3 LYS A 394 -10.235 -12.379 0.466 1.00 0.25 H new ATOM 0 HG2 LYS A 394 -10.136 -11.518 -1.981 1.00 0.23 H new ATOM 0 HG3 LYS A 394 -8.477 -12.078 -1.925 1.00 0.23 H new ATOM 0 HD2 LYS A 394 -9.593 -14.183 -0.796 1.00 0.27 H new ATOM 0 HD3 LYS A 394 -11.001 -13.610 -1.667 1.00 0.27 H new ATOM 0 HE2 LYS A 394 -9.738 -13.447 -3.709 1.00 0.27 H new ATOM 0 HE3 LYS A 394 -8.255 -13.853 -2.867 1.00 0.27 H new ATOM 0 HZ1 LYS A 394 -9.130 -15.739 -4.059 1.00 0.33 H new ATOM 0 HZ2 LYS A 394 -9.160 -16.046 -2.389 1.00 0.33 H new ATOM 0 HZ3 LYS A 394 -10.596 -15.653 -3.205 1.00 0.33 H new ATOM 1015 N GLU A 404 -12.923 -8.994 -2.350 1.00 0.25 N ATOM 1016 CA GLU A 404 -11.721 -9.366 -3.062 1.00 0.21 C ATOM 1017 C GLU A 404 -11.264 -8.244 -3.967 1.00 0.20 C ATOM 1018 O GLU A 404 -12.077 -7.490 -4.501 1.00 0.23 O ATOM 1019 CB GLU A 404 -11.942 -10.597 -3.925 1.00 0.22 C ATOM 1020 CG GLU A 404 -12.104 -11.881 -3.143 1.00 0.24 C ATOM 1021 CD GLU A 404 -13.467 -12.510 -3.331 1.00 0.31 C ATOM 1022 OE1 GLU A 404 -13.675 -13.204 -4.343 1.00 0.39 O1- ATOM 1023 OE2 GLU A 404 -14.342 -12.309 -2.464 1.00 0.53 O ATOM 0 HA GLU A 404 -10.965 -9.578 -2.306 1.00 0.21 H new ATOM 0 HB2 GLU A 404 -12.831 -10.443 -4.537 1.00 0.22 H new ATOM 0 HB3 GLU A 404 -11.099 -10.704 -4.608 1.00 0.22 H new ATOM 0 HG2 GLU A 404 -11.335 -12.589 -3.452 1.00 0.24 H new ATOM 0 HG3 GLU A 404 -11.944 -11.679 -2.084 1.00 0.24 H new ATOM 1030 N SER A 405 -9.960 -8.131 -4.113 1.00 0.16 N ATOM 1031 CA SER A 405 -9.384 -7.245 -5.089 1.00 0.15 C ATOM 1032 C SER A 405 -8.131 -7.882 -5.624 1.00 0.13 C ATOM 1033 O SER A 405 -7.071 -7.797 -5.010 1.00 0.11 O ATOM 1034 CB SER A 405 -9.013 -5.915 -4.463 1.00 0.15 C ATOM 1035 OG SER A 405 -9.747 -5.680 -3.269 1.00 0.19 O ATOM 0 H SER A 405 -9.278 -8.649 -3.560 1.00 0.16 H new ATOM 0 HA SER A 405 -10.113 -7.071 -5.880 1.00 0.15 H new ATOM 0 HB2 SER A 405 -7.945 -5.900 -4.244 1.00 0.15 H new ATOM 0 HB3 SER A 405 -9.204 -5.111 -5.174 1.00 0.15 H new ATOM 0 HG SER A 405 -9.485 -4.816 -2.888 1.00 0.19 H new ATOM 1041 N PRO A 406 -8.235 -8.536 -6.765 1.00 0.15 N ATOM 1042 CA PRO A 406 -7.115 -9.215 -7.362 1.00 0.14 C ATOM 1043 C PRO A 406 -6.097 -8.224 -7.846 1.00 0.13 C ATOM 1044 O PRO A 406 -6.313 -7.476 -8.800 1.00 0.17 O ATOM 1045 CB PRO A 406 -7.732 -10.037 -8.489 1.00 0.18 C ATOM 1046 CG PRO A 406 -9.182 -10.031 -8.176 1.00 0.19 C ATOM 1047 CD PRO A 406 -9.438 -8.702 -7.552 1.00 0.18 C ATOM 0 HA PRO A 406 -6.572 -9.854 -6.666 1.00 0.14 H new ATOM 0 HB2 PRO A 406 -7.531 -9.594 -9.464 1.00 0.18 H new ATOM 0 HB3 PRO A 406 -7.331 -11.050 -8.511 1.00 0.18 H new ATOM 0 HG2 PRO A 406 -9.781 -10.166 -9.077 1.00 0.19 H new ATOM 0 HG3 PRO A 406 -9.442 -10.843 -7.496 1.00 0.19 H new ATOM 0 HD2 PRO A 406 -9.558 -7.913 -8.294 1.00 0.18 H new ATOM 0 HD3 PRO A 406 -10.338 -8.701 -6.937 1.00 0.18 H new ATOM 1055 N VAL A 407 -4.995 -8.247 -7.161 1.00 0.10 N ATOM 1056 CA VAL A 407 -3.996 -7.247 -7.262 1.00 0.09 C ATOM 1057 C VAL A 407 -2.766 -7.875 -7.891 1.00 0.11 C ATOM 1058 O VAL A 407 -2.549 -9.069 -7.784 1.00 0.15 O ATOM 1059 CB VAL A 407 -3.759 -6.740 -5.828 1.00 0.08 C ATOM 1060 CG1 VAL A 407 -2.494 -7.213 -5.208 1.00 0.07 C ATOM 1061 CG2 VAL A 407 -3.948 -5.260 -5.685 1.00 0.08 C ATOM 0 H VAL A 407 -4.766 -8.988 -6.498 1.00 0.10 H new ATOM 0 HA VAL A 407 -4.274 -6.402 -7.892 1.00 0.09 H new ATOM 0 HB VAL A 407 -4.551 -7.211 -5.247 1.00 0.08 H new ATOM 0 HG11 VAL A 407 -2.409 -6.808 -4.200 1.00 0.07 H new ATOM 0 HG12 VAL A 407 -2.496 -8.302 -5.162 1.00 0.07 H new ATOM 0 HG13 VAL A 407 -1.647 -6.877 -5.807 1.00 0.07 H new ATOM 0 HG21 VAL A 407 -3.766 -4.968 -4.651 1.00 0.08 H new ATOM 0 HG22 VAL A 407 -3.247 -4.739 -6.338 1.00 0.08 H new ATOM 0 HG23 VAL A 407 -4.968 -4.995 -5.963 1.00 0.08 H new ATOM 1071 N ASN A 408 -1.989 -7.092 -8.583 1.00 0.11 N ATOM 1072 CA ASN A 408 -0.867 -7.627 -9.332 1.00 0.12 C ATOM 1073 C ASN A 408 0.315 -7.747 -8.413 1.00 0.10 C ATOM 1074 O ASN A 408 1.235 -8.516 -8.671 1.00 0.11 O ATOM 1075 CB ASN A 408 -0.557 -6.712 -10.511 1.00 0.15 C ATOM 1076 CG ASN A 408 -1.643 -6.726 -11.579 1.00 0.19 C ATOM 1077 OD1 ASN A 408 -1.367 -6.542 -12.767 1.00 0.51 O ATOM 1078 ND2 ASN A 408 -2.885 -6.952 -11.172 1.00 0.38 N ATOM 0 H ASN A 408 -2.104 -6.081 -8.650 1.00 0.11 H new ATOM 0 HA ASN A 408 -1.108 -8.614 -9.726 1.00 0.12 H new ATOM 0 HB2 ASN A 408 -0.426 -5.693 -10.148 1.00 0.15 H new ATOM 0 HB3 ASN A 408 0.389 -7.015 -10.959 1.00 0.15 H new ATOM 0 HD21 ASN A 408 -3.647 -6.978 -11.850 1.00 0.38 H new ATOM 0 HD22 ASN A 408 -3.078 -7.100 -10.181 1.00 0.38 H new ATOM 1085 N TYR A 409 0.251 -7.012 -7.316 1.00 0.08 N ATOM 1086 CA TYR A 409 1.374 -6.851 -6.410 1.00 0.06 C ATOM 1087 C TYR A 409 0.843 -6.402 -5.066 1.00 0.06 C ATOM 1088 O TYR A 409 0.135 -5.399 -4.972 1.00 0.06 O ATOM 1089 CB TYR A 409 2.416 -5.846 -6.938 1.00 0.06 C ATOM 1090 CG TYR A 409 3.083 -6.276 -8.227 1.00 0.08 C ATOM 1091 CD1 TYR A 409 2.550 -5.924 -9.457 1.00 0.13 C ATOM 1092 CD2 TYR A 409 4.272 -6.993 -8.211 1.00 0.11 C ATOM 1093 CE1 TYR A 409 3.175 -6.281 -10.633 1.00 0.18 C ATOM 1094 CE2 TYR A 409 4.909 -7.343 -9.380 1.00 0.17 C ATOM 1095 CZ TYR A 409 4.255 -7.142 -10.592 1.00 0.17 C ATOM 1096 OH TYR A 409 4.984 -7.328 -11.766 1.00 0.27 O ATOM 0 H TYR A 409 -0.587 -6.507 -7.028 1.00 0.08 H new ATOM 0 HA TYR A 409 1.886 -7.809 -6.320 1.00 0.06 H new ATOM 0 HB2 TYR A 409 1.931 -4.883 -7.095 1.00 0.06 H new ATOM 0 HB3 TYR A 409 3.181 -5.697 -6.176 1.00 0.06 H new ATOM 0 HD1 TYR A 409 1.629 -5.360 -9.495 1.00 0.13 H new ATOM 0 HD2 TYR A 409 4.705 -7.281 -7.264 1.00 0.11 H new ATOM 0 HE1 TYR A 409 2.824 -5.891 -11.577 1.00 0.18 H new ATOM 0 HE2 TYR A 409 5.902 -7.767 -9.357 1.00 0.17 H new ATOM 0 HH TYR A 409 5.717 -7.957 -11.600 1.00 0.27 H new ATOM 1106 N TRP A 410 1.212 -7.124 -4.036 1.00 0.06 N ATOM 1107 CA TRP A 410 0.577 -6.997 -2.738 1.00 0.06 C ATOM 1108 C TRP A 410 1.574 -7.173 -1.626 1.00 0.06 C ATOM 1109 O TRP A 410 2.440 -8.035 -1.670 1.00 0.09 O ATOM 1110 CB TRP A 410 -0.505 -8.057 -2.661 1.00 0.07 C ATOM 1111 CG TRP A 410 -1.146 -8.259 -1.342 1.00 0.07 C ATOM 1112 CD1 TRP A 410 -1.317 -9.443 -0.753 1.00 0.08 C ATOM 1113 CD2 TRP A 410 -1.713 -7.279 -0.483 1.00 0.06 C ATOM 1114 NE1 TRP A 410 -1.999 -9.287 0.433 1.00 0.08 N ATOM 1115 CE2 TRP A 410 -2.250 -7.941 0.626 1.00 0.07 C ATOM 1116 CE3 TRP A 410 -1.814 -5.914 -0.562 1.00 0.06 C ATOM 1117 CZ2 TRP A 410 -2.900 -7.242 1.663 1.00 0.07 C ATOM 1118 CZ3 TRP A 410 -2.440 -5.217 0.437 1.00 0.07 C ATOM 1119 CH2 TRP A 410 -2.984 -5.874 1.546 1.00 0.07 C ATOM 0 H TRP A 410 1.960 -7.817 -4.069 1.00 0.06 H new ATOM 0 HA TRP A 410 0.150 -6.001 -2.623 1.00 0.06 H new ATOM 0 HB2 TRP A 410 -1.282 -7.803 -3.382 1.00 0.07 H new ATOM 0 HB3 TRP A 410 -0.074 -9.006 -2.979 1.00 0.07 H new ATOM 0 HD1 TRP A 410 -0.971 -10.387 -1.148 1.00 0.08 H new ATOM 0 HE1 TRP A 410 -2.274 -10.040 1.064 1.00 0.08 H new ATOM 0 HE3 TRP A 410 -1.401 -5.389 -1.411 1.00 0.06 H new ATOM 0 HZ2 TRP A 410 -3.315 -7.760 2.515 1.00 0.07 H new ATOM 0 HZ3 TRP A 410 -2.515 -4.142 0.368 1.00 0.07 H new ATOM 0 HH2 TRP A 410 -3.475 -5.301 2.319 1.00 0.07 H new ATOM 1130 N MET A 411 1.473 -6.315 -0.652 1.00 0.08 N ATOM 1131 CA MET A 411 2.258 -6.449 0.537 1.00 0.09 C ATOM 1132 C MET A 411 1.305 -6.615 1.708 1.00 0.12 C ATOM 1133 O MET A 411 0.835 -5.617 2.261 1.00 0.14 O ATOM 1134 CB MET A 411 3.134 -5.219 0.738 1.00 0.10 C ATOM 1135 CG MET A 411 3.843 -4.725 -0.516 1.00 0.09 C ATOM 1136 SD MET A 411 4.998 -5.917 -1.199 1.00 0.06 S ATOM 1137 CE MET A 411 5.896 -4.897 -2.360 1.00 0.06 C ATOM 0 H MET A 411 0.848 -5.509 -0.661 1.00 0.08 H new ATOM 0 HA MET A 411 2.915 -7.315 0.458 1.00 0.09 H new ATOM 0 HB2 MET A 411 2.516 -4.411 1.131 1.00 0.10 H new ATOM 0 HB3 MET A 411 3.884 -5.445 1.497 1.00 0.10 H new ATOM 0 HG2 MET A 411 3.098 -4.478 -1.272 1.00 0.09 H new ATOM 0 HG3 MET A 411 4.378 -3.804 -0.283 1.00 0.09 H new ATOM 0 HE1 MET A 411 5.571 -5.128 -3.374 1.00 0.06 H new ATOM 0 HE2 MET A 411 5.701 -3.846 -2.147 1.00 0.06 H new ATOM 0 HE3 MET A 411 6.964 -5.094 -2.267 1.00 0.06 H new ATOM 1147 N PRO A 412 0.953 -7.865 2.062 1.00 0.13 N ATOM 1148 CA PRO A 412 0.049 -8.137 3.175 1.00 0.19 C ATOM 1149 C PRO A 412 0.670 -7.740 4.497 1.00 0.25 C ATOM 1150 O PRO A 412 1.262 -8.559 5.196 1.00 0.50 O ATOM 1151 CB PRO A 412 -0.184 -9.648 3.116 1.00 0.24 C ATOM 1152 CG PRO A 412 0.986 -10.184 2.372 1.00 0.23 C ATOM 1153 CD PRO A 412 1.399 -9.104 1.406 1.00 0.16 C ATOM 0 HA PRO A 412 -0.878 -7.568 3.099 1.00 0.19 H new ATOM 0 HB2 PRO A 412 -0.248 -10.078 4.116 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -1.118 -9.885 2.607 1.00 0.24 H new ATOM 0 HG2 PRO A 412 1.801 -10.430 3.053 1.00 0.23 H new ATOM 0 HG3 PRO A 412 0.725 -11.101 1.843 1.00 0.23 H new ATOM 0 HD2 PRO A 412 2.476 -9.105 1.240 1.00 0.16 H new ATOM 0 HD3 PRO A 412 0.927 -9.235 0.432 1.00 0.16 H new ATOM 1237 N VAL A 418 -4.105 -1.844 7.426 1.00 0.32 N ATOM 1238 CA VAL A 418 -3.632 -1.351 6.140 1.00 0.26 C ATOM 1239 C VAL A 418 -2.881 -2.432 5.342 1.00 0.24 C ATOM 1240 O VAL A 418 -2.599 -3.510 5.856 1.00 0.27 O ATOM 1241 CB VAL A 418 -2.725 -0.141 6.406 1.00 0.25 C ATOM 1242 CG1 VAL A 418 -1.761 -0.508 7.490 1.00 0.75 C ATOM 1243 CG2 VAL A 418 -2.006 0.379 5.155 1.00 0.75 C ATOM 0 HA VAL A 418 -4.488 -1.064 5.529 1.00 0.26 H new ATOM 0 HB VAL A 418 -3.352 0.692 6.723 1.00 0.25 H new ATOM 0 HG11 VAL A 418 -1.106 0.338 7.696 1.00 0.75 H new ATOM 0 HG12 VAL A 418 -2.312 -0.769 8.394 1.00 0.75 H new ATOM 0 HG13 VAL A 418 -1.162 -1.361 7.171 1.00 0.75 H new ATOM 0 HG21 VAL A 418 -1.384 1.234 5.422 1.00 0.75 H new ATOM 0 HG22 VAL A 418 -1.379 -0.411 4.741 1.00 0.75 H new ATOM 0 HG23 VAL A 418 -2.743 0.684 4.412 1.00 0.75 H new ATOM 1253 N GLY A 419 -2.592 -2.138 4.082 1.00 0.20 N ATOM 1254 CA GLY A 419 -1.755 -2.987 3.275 1.00 0.18 C ATOM 1255 C GLY A 419 -1.482 -2.343 1.952 1.00 0.14 C ATOM 1256 O GLY A 419 -2.401 -1.989 1.224 1.00 0.15 O ATOM 0 H GLY A 419 -2.934 -1.306 3.601 1.00 0.20 H new ATOM 0 HA2 GLY A 419 -0.816 -3.181 3.793 1.00 0.18 H new ATOM 0 HA3 GLY A 419 -2.241 -3.951 3.124 1.00 0.18 H new ATOM 1260 N ILE A 420 -0.225 -2.186 1.638 1.00 0.10 N ATOM 1261 CA ILE A 420 0.155 -1.522 0.418 1.00 0.08 C ATOM 1262 C ILE A 420 0.082 -2.486 -0.757 1.00 0.08 C ATOM 1263 O ILE A 420 0.407 -3.668 -0.625 1.00 0.09 O ATOM 1264 CB ILE A 420 1.591 -0.976 0.507 1.00 0.07 C ATOM 1265 CG1 ILE A 420 1.666 0.308 1.337 1.00 0.08 C ATOM 1266 CG2 ILE A 420 2.146 -0.741 -0.880 1.00 0.08 C ATOM 1267 CD1 ILE A 420 1.802 0.075 2.822 1.00 0.29 C ATOM 0 H ILE A 420 0.556 -2.509 2.210 1.00 0.10 H new ATOM 0 HA ILE A 420 -0.539 -0.695 0.270 1.00 0.08 H new ATOM 0 HB ILE A 420 2.198 -1.726 1.015 1.00 0.07 H new ATOM 0 HG12 ILE A 420 2.514 0.901 0.994 1.00 0.08 H new ATOM 0 HG13 ILE A 420 0.769 0.899 1.154 1.00 0.08 H new ATOM 0 HG21 ILE A 420 3.162 -0.355 -0.805 1.00 0.08 H new ATOM 0 HG22 ILE A 420 2.155 -1.681 -1.432 1.00 0.08 H new ATOM 0 HG23 ILE A 420 1.521 -0.018 -1.404 1.00 0.08 H new ATOM 0 HD11 ILE A 420 1.849 1.034 3.338 1.00 0.29 H new ATOM 0 HD12 ILE A 420 0.942 -0.489 3.182 1.00 0.29 H new ATOM 0 HD13 ILE A 420 2.714 -0.488 3.020 1.00 0.29 H new ATOM 1279 N HIS A 421 -0.349 -1.971 -1.902 1.00 0.07 N ATOM 1280 CA HIS A 421 -0.560 -2.804 -3.068 1.00 0.06 C ATOM 1281 C HIS A 421 -0.584 -1.970 -4.331 1.00 0.07 C ATOM 1282 O HIS A 421 -0.777 -0.759 -4.278 1.00 0.08 O ATOM 1283 CB HIS A 421 -1.886 -3.519 -2.919 1.00 0.06 C ATOM 1284 CG HIS A 421 -3.074 -2.629 -2.873 1.00 0.07 C ATOM 1285 ND1 HIS A 421 -3.641 -2.013 -3.962 1.00 0.08 N ATOM 1286 CD2 HIS A 421 -3.805 -2.269 -1.806 1.00 0.07 C ATOM 1287 CE1 HIS A 421 -4.681 -1.301 -3.526 1.00 0.09 C ATOM 1288 NE2 HIS A 421 -4.830 -1.424 -2.219 1.00 0.08 N ATOM 0 H HIS A 421 -0.557 -0.983 -2.043 1.00 0.07 H new ATOM 0 HA HIS A 421 0.258 -3.521 -3.144 1.00 0.06 H new ATOM 0 HB2 HIS A 421 -2.003 -4.214 -3.750 1.00 0.06 H new ATOM 0 HB3 HIS A 421 -1.861 -4.115 -2.006 1.00 0.06 H new ATOM 0 HD2 HIS A 421 -3.626 -2.585 -0.789 1.00 0.07 H new ATOM 0 HE1 HIS A 421 -5.319 -0.702 -4.159 1.00 0.09 H new ATOM 0 HE2 HIS A 421 -5.546 -0.991 -1.636 1.00 0.08 H new ATOM 1296 N ASP A 422 -0.406 -2.628 -5.462 1.00 0.07 N ATOM 1297 CA ASP A 422 -0.564 -1.980 -6.741 1.00 0.07 C ATOM 1298 C ASP A 422 -2.039 -2.061 -7.124 1.00 0.11 C ATOM 1299 O ASP A 422 -2.728 -2.986 -6.737 1.00 0.20 O ATOM 1300 CB ASP A 422 0.322 -2.658 -7.790 1.00 0.09 C ATOM 1301 CG ASP A 422 -0.395 -3.734 -8.593 1.00 0.65 C ATOM 1302 OD1 ASP A 422 -0.921 -4.688 -7.987 1.00 1.07 O1- ATOM 1303 OD2 ASP A 422 -0.437 -3.617 -9.836 1.00 0.80 O ATOM 0 H ASP A 422 -0.151 -3.614 -5.515 1.00 0.07 H new ATOM 0 HA ASP A 422 -0.256 -0.936 -6.687 1.00 0.07 H new ATOM 0 HB2 ASP A 422 0.704 -1.901 -8.474 1.00 0.09 H new ATOM 0 HB3 ASP A 422 1.184 -3.102 -7.292 1.00 0.09 H new ATOM 1308 N SER A 423 -2.533 -1.078 -7.835 1.00 0.09 N ATOM 1309 CA SER A 423 -3.964 -0.971 -8.071 1.00 0.11 C ATOM 1310 C SER A 423 -4.224 -0.702 -9.522 1.00 0.14 C ATOM 1311 O SER A 423 -4.213 0.434 -9.980 1.00 0.17 O ATOM 1312 CB SER A 423 -4.571 0.139 -7.201 1.00 0.14 C ATOM 1313 OG SER A 423 -5.952 0.272 -7.443 1.00 0.23 O ATOM 0 H SER A 423 -1.974 -0.340 -8.262 1.00 0.09 H new ATOM 0 HA SER A 423 -4.437 -1.915 -7.798 1.00 0.11 H new ATOM 0 HB2 SER A 423 -4.403 -0.087 -6.148 1.00 0.14 H new ATOM 0 HB3 SER A 423 -4.069 1.084 -7.409 1.00 0.14 H new ATOM 0 HG SER A 423 -6.316 0.984 -6.876 1.00 0.23 H new ATOM 1319 N ASP A 424 -4.509 -1.777 -10.226 1.00 0.16 N ATOM 1320 CA ASP A 424 -4.706 -1.723 -11.655 1.00 0.21 C ATOM 1321 C ASP A 424 -6.119 -1.255 -11.953 1.00 0.24 C ATOM 1322 O ASP A 424 -6.451 -0.848 -13.066 1.00 0.27 O ATOM 1323 CB ASP A 424 -4.437 -3.100 -12.245 1.00 0.24 C ATOM 1324 CG ASP A 424 -4.794 -3.203 -13.713 1.00 0.32 C ATOM 1325 OD1 ASP A 424 -3.969 -2.806 -14.560 1.00 0.42 O1- ATOM 1326 OD2 ASP A 424 -5.898 -3.687 -14.027 1.00 0.37 O ATOM 0 H ASP A 424 -4.610 -2.709 -9.824 1.00 0.16 H new ATOM 0 HA ASP A 424 -4.015 -1.013 -12.110 1.00 0.21 H new ATOM 0 HB2 ASP A 424 -3.382 -3.343 -12.117 1.00 0.24 H new ATOM 0 HB3 ASP A 424 -5.005 -3.844 -11.687 1.00 0.24 H new ATOM 1386 N GLU A 428 -6.979 6.716 -10.932 1.00 0.31 N ATOM 1387 CA GLU A 428 -6.434 7.915 -10.375 1.00 0.22 C ATOM 1388 C GLU A 428 -5.442 7.654 -9.271 1.00 0.21 C ATOM 1389 O GLU A 428 -5.512 6.662 -8.544 1.00 0.29 O ATOM 1390 CB GLU A 428 -7.537 8.741 -9.778 1.00 0.34 C ATOM 1391 CG GLU A 428 -8.430 7.942 -8.880 1.00 1.11 C ATOM 1392 CD GLU A 428 -9.587 7.277 -9.590 1.00 1.56 C ATOM 1393 OE1 GLU A 428 -10.071 7.825 -10.599 1.00 1.48 O ATOM 1394 OE2 GLU A 428 -10.038 6.216 -9.118 1.00 2.16 O1- ATOM 0 HA GLU A 428 -5.928 8.426 -11.194 1.00 0.22 H new ATOM 0 HB2 GLU A 428 -7.104 9.566 -9.213 1.00 0.34 H new ATOM 0 HB3 GLU A 428 -8.132 9.180 -10.579 1.00 0.34 H new ATOM 0 HG2 GLU A 428 -7.835 7.176 -8.382 1.00 1.11 H new ATOM 0 HG3 GLU A 428 -8.823 8.596 -8.102 1.00 1.11 H new ATOM 1401 N TYR A 429 -4.526 8.590 -9.179 1.00 0.17 N ATOM 1402 CA TYR A 429 -3.613 8.731 -8.074 1.00 0.14 C ATOM 1403 C TYR A 429 -3.191 10.167 -8.086 1.00 0.17 C ATOM 1404 O TYR A 429 -2.888 10.729 -9.139 1.00 0.21 O ATOM 1405 CB TYR A 429 -2.357 7.862 -8.110 1.00 0.12 C ATOM 1406 CG TYR A 429 -2.552 6.484 -8.677 1.00 0.13 C ATOM 1407 CD1 TYR A 429 -2.811 6.303 -10.021 1.00 0.18 C ATOM 1408 CD2 TYR A 429 -2.471 5.366 -7.859 1.00 0.15 C ATOM 1409 CE1 TYR A 429 -2.988 5.037 -10.540 1.00 0.25 C ATOM 1410 CE2 TYR A 429 -2.645 4.103 -8.366 1.00 0.20 C ATOM 1411 CZ TYR A 429 -2.916 3.955 -9.734 1.00 0.25 C ATOM 1412 OH TYR A 429 -3.089 2.682 -10.204 1.00 0.33 O ATOM 0 H TYR A 429 -4.393 9.299 -9.900 1.00 0.17 H new ATOM 0 HA TYR A 429 -4.140 8.403 -7.178 1.00 0.14 H new ATOM 0 HB2 TYR A 429 -1.595 8.375 -8.697 1.00 0.12 H new ATOM 0 HB3 TYR A 429 -1.969 7.769 -7.096 1.00 0.12 H new ATOM 0 HD1 TYR A 429 -2.876 7.162 -10.673 1.00 0.18 H new ATOM 0 HD2 TYR A 429 -2.268 5.492 -6.806 1.00 0.15 H new ATOM 0 HE1 TYR A 429 -3.185 4.910 -11.594 1.00 0.25 H new ATOM 0 HE2 TYR A 429 -2.575 3.238 -7.723 1.00 0.20 H new ATOM 0 HH TYR A 429 -3.730 2.208 -9.635 1.00 0.33 H new ATOM 1422 N GLY A 430 -3.228 10.762 -6.948 1.00 0.15 N ATOM 1423 CA GLY A 430 -2.868 12.147 -6.838 1.00 0.17 C ATOM 1424 C GLY A 430 -3.256 12.681 -5.508 1.00 0.17 C ATOM 1425 O GLY A 430 -3.385 11.909 -4.558 1.00 0.16 O ATOM 0 H GLY A 430 -3.504 10.318 -6.072 1.00 0.15 H new ATOM 0 HA2 GLY A 430 -1.794 12.262 -6.984 1.00 0.17 H new ATOM 0 HA3 GLY A 430 -3.360 12.720 -7.624 1.00 0.17 H new ATOM 1429 N GLY A 431 -3.384 13.996 -5.415 1.00 0.19 N ATOM 1430 CA GLY A 431 -3.996 14.590 -4.248 1.00 0.21 C ATOM 1431 C GLY A 431 -5.269 13.894 -3.875 1.00 0.19 C ATOM 1432 O GLY A 431 -5.791 13.066 -4.625 1.00 0.18 O ATOM 0 H GLY A 431 -3.076 14.660 -6.125 1.00 0.19 H new ATOM 0 HA2 GLY A 431 -3.299 14.548 -3.411 1.00 0.21 H new ATOM 0 HA3 GLY A 431 -4.200 15.643 -4.440 1.00 0.21 H new ATOM 1436 N ASP A 432 -5.821 14.319 -2.777 1.00 0.21 N ATOM 1437 CA ASP A 432 -6.695 13.489 -1.994 1.00 0.21 C ATOM 1438 C ASP A 432 -7.819 12.856 -2.797 1.00 0.18 C ATOM 1439 O ASP A 432 -8.827 13.465 -3.148 1.00 0.23 O ATOM 1440 CB ASP A 432 -7.253 14.345 -0.872 1.00 0.25 C ATOM 1441 CG ASP A 432 -8.010 15.571 -1.363 1.00 1.10 C ATOM 1442 OD1 ASP A 432 -7.380 16.468 -1.957 1.00 1.14 O ATOM 1443 OD2 ASP A 432 -9.245 15.634 -1.172 1.00 1.85 O1- ATOM 0 H ASP A 432 -5.679 15.254 -2.396 1.00 0.21 H new ATOM 0 HA ASP A 432 -6.117 12.650 -1.607 1.00 0.21 H new ATOM 0 HB2 ASP A 432 -7.919 13.738 -0.259 1.00 0.25 H new ATOM 0 HB3 ASP A 432 -6.434 14.667 -0.229 1.00 0.25 H new ATOM 1448 N LEU A 433 -7.567 11.591 -3.092 1.00 0.14 N ATOM 1449 CA LEU A 433 -8.531 10.692 -3.679 1.00 0.13 C ATOM 1450 C LEU A 433 -9.162 9.848 -2.591 1.00 0.12 C ATOM 1451 O LEU A 433 -10.319 9.510 -2.641 1.00 0.14 O ATOM 1452 CB LEU A 433 -7.842 9.799 -4.702 1.00 0.15 C ATOM 1453 CG LEU A 433 -7.174 10.532 -5.851 1.00 0.39 C ATOM 1454 CD1 LEU A 433 -6.225 9.607 -6.548 1.00 1.21 C ATOM 1455 CD2 LEU A 433 -8.201 11.035 -6.837 1.00 1.08 C ATOM 0 H LEU A 433 -6.660 11.155 -2.923 1.00 0.14 H new ATOM 0 HA LEU A 433 -9.309 11.268 -4.180 1.00 0.13 H new ATOM 0 HB2 LEU A 433 -7.091 9.198 -4.189 1.00 0.15 H new ATOM 0 HB3 LEU A 433 -8.578 9.107 -5.112 1.00 0.15 H new ATOM 0 HG LEU A 433 -6.632 11.387 -5.448 1.00 0.39 H new ATOM 0 HD11 LEU A 433 -5.745 10.133 -7.373 1.00 1.21 H new ATOM 0 HD12 LEU A 433 -5.466 9.266 -5.844 1.00 1.21 H new ATOM 0 HD13 LEU A 433 -6.773 8.748 -6.935 1.00 1.21 H new ATOM 0 HD21 LEU A 433 -7.698 11.557 -7.651 1.00 1.08 H new ATOM 0 HD22 LEU A 433 -8.763 10.192 -7.239 1.00 1.08 H new ATOM 0 HD23 LEU A 433 -8.884 11.720 -6.334 1.00 1.08 H new ATOM 1467 N TRP A 434 -8.347 9.511 -1.598 1.00 0.10 N ATOM 1468 CA TRP A 434 -8.727 8.570 -0.542 1.00 0.10 C ATOM 1469 C TRP A 434 -10.029 8.959 0.125 1.00 0.11 C ATOM 1470 O TRP A 434 -10.738 8.120 0.662 1.00 0.15 O ATOM 1471 CB TRP A 434 -7.600 8.482 0.491 1.00 0.10 C ATOM 1472 CG TRP A 434 -7.320 9.775 1.152 1.00 0.10 C ATOM 1473 CD1 TRP A 434 -6.447 10.736 0.748 1.00 0.11 C ATOM 1474 CD2 TRP A 434 -7.941 10.254 2.336 1.00 0.12 C ATOM 1475 NE1 TRP A 434 -6.536 11.818 1.587 1.00 0.13 N ATOM 1476 CE2 TRP A 434 -7.437 11.534 2.579 1.00 0.13 C ATOM 1477 CE3 TRP A 434 -8.891 9.723 3.205 1.00 0.13 C ATOM 1478 CZ2 TRP A 434 -7.862 12.294 3.658 1.00 0.16 C ATOM 1479 CZ3 TRP A 434 -9.304 10.476 4.271 1.00 0.14 C ATOM 1480 CH2 TRP A 434 -8.796 11.752 4.488 1.00 0.16 C ATOM 0 H TRP A 434 -7.402 9.881 -1.499 1.00 0.10 H new ATOM 0 HA TRP A 434 -8.884 7.593 -0.999 1.00 0.10 H new ATOM 0 HB2 TRP A 434 -7.865 7.743 1.247 1.00 0.10 H new ATOM 0 HB3 TRP A 434 -6.693 8.126 0.002 1.00 0.10 H new ATOM 0 HD1 TRP A 434 -5.785 10.659 -0.102 1.00 0.11 H new ATOM 0 HE1 TRP A 434 -6.017 12.690 1.488 1.00 0.13 H new ATOM 0 HE3 TRP A 434 -9.295 8.735 3.041 1.00 0.13 H new ATOM 0 HZ2 TRP A 434 -7.466 13.283 3.834 1.00 0.16 H new ATOM 0 HZ3 TRP A 434 -10.036 10.072 4.955 1.00 0.14 H new ATOM 0 HH2 TRP A 434 -9.149 12.325 5.332 1.00 0.16 H new ATOM 1491 N LYS A 435 -10.320 10.246 0.101 1.00 0.12 N ATOM 1492 CA LYS A 435 -11.514 10.764 0.719 1.00 0.14 C ATOM 1493 C LYS A 435 -12.688 10.798 -0.231 1.00 0.17 C ATOM 1494 O LYS A 435 -13.830 10.585 0.165 1.00 0.20 O ATOM 1495 CB LYS A 435 -11.230 12.154 1.241 1.00 0.15 C ATOM 1496 CG LYS A 435 -9.883 12.642 0.802 1.00 0.15 C ATOM 1497 CD LYS A 435 -9.536 13.963 1.398 1.00 0.17 C ATOM 1498 CE LYS A 435 -10.174 14.166 2.745 1.00 0.18 C ATOM 1499 NZ LYS A 435 -9.837 15.486 3.337 1.00 0.22 N1+ ATOM 0 H LYS A 435 -9.736 10.953 -0.346 1.00 0.12 H new ATOM 0 HA LYS A 435 -11.788 10.096 1.536 1.00 0.14 H new ATOM 0 HB2 LYS A 435 -11.999 12.840 0.888 1.00 0.15 H new ATOM 0 HB3 LYS A 435 -11.280 12.152 2.330 1.00 0.15 H new ATOM 0 HG2 LYS A 435 -9.125 11.910 1.082 1.00 0.15 H new ATOM 0 HG3 LYS A 435 -9.864 12.721 -0.285 1.00 0.15 H new ATOM 0 HD2 LYS A 435 -8.453 14.042 1.496 1.00 0.17 H new ATOM 0 HD3 LYS A 435 -9.854 14.758 0.724 1.00 0.17 H new ATOM 0 HE2 LYS A 435 -11.256 14.080 2.648 1.00 0.18 H new ATOM 0 HE3 LYS A 435 -9.850 13.374 3.421 1.00 0.18 H new ATOM 0 HZ1 LYS A 435 -10.299 15.579 4.264 1.00 0.22 H new ATOM 0 HZ2 LYS A 435 -8.806 15.561 3.455 1.00 0.22 H new ATOM 0 HZ3 LYS A 435 -10.169 16.244 2.707 1.00 0.22 H new ATOM 1513 N THR A 436 -12.398 11.085 -1.473 1.00 0.16 N ATOM 1514 CA THR A 436 -13.433 11.235 -2.480 1.00 0.19 C ATOM 1515 C THR A 436 -13.751 9.892 -3.127 1.00 0.19 C ATOM 1516 O THR A 436 -14.902 9.573 -3.423 1.00 0.22 O ATOM 1517 CB THR A 436 -12.966 12.253 -3.538 1.00 0.23 C ATOM 1518 OG1 THR A 436 -12.172 11.618 -4.546 1.00 0.25 O ATOM 1519 CG2 THR A 436 -12.119 13.300 -2.859 1.00 0.21 C ATOM 0 H THR A 436 -11.449 11.222 -1.820 1.00 0.16 H new ATOM 0 HA THR A 436 -14.345 11.601 -2.008 1.00 0.19 H new ATOM 0 HB THR A 436 -13.845 12.696 -4.006 1.00 0.23 H new ATOM 0 HG1 THR A 436 -11.889 12.284 -5.207 1.00 0.25 H new ATOM 0 HG21 THR A 436 -11.781 14.028 -3.596 1.00 0.21 H new ATOM 0 HG22 THR A 436 -12.709 13.805 -2.094 1.00 0.21 H new ATOM 0 HG23 THR A 436 -11.255 12.824 -2.396 1.00 0.21 H new ATOM 1527 N ARG A 437 -12.707 9.113 -3.318 1.00 0.18 N ATOM 1528 CA ARG A 437 -12.800 7.813 -3.950 1.00 0.20 C ATOM 1529 C ARG A 437 -12.823 6.710 -2.908 1.00 0.20 C ATOM 1530 O ARG A 437 -13.255 5.595 -3.179 1.00 0.24 O ATOM 1531 CB ARG A 437 -11.580 7.661 -4.840 1.00 0.24 C ATOM 1532 CG ARG A 437 -11.105 8.958 -5.351 1.00 0.27 C ATOM 1533 CD ARG A 437 -10.581 8.813 -6.726 1.00 0.40 C ATOM 1534 NE ARG A 437 -11.657 8.863 -7.710 1.00 0.71 N ATOM 1535 CZ ARG A 437 -11.756 9.770 -8.682 1.00 1.26 C ATOM 1536 NH1 ARG A 437 -10.819 10.699 -8.838 1.00 1.82 N1+ ATOM 1537 NH2 ARG A 437 -12.801 9.749 -9.498 1.00 1.47 N ATOM 0 H ARG A 437 -11.760 9.367 -3.036 1.00 0.18 H new ATOM 0 HA ARG A 437 -13.720 7.737 -4.529 1.00 0.20 H new ATOM 0 HB2 ARG A 437 -10.780 7.177 -4.279 1.00 0.24 H new ATOM 0 HB3 ARG A 437 -11.822 7.008 -5.678 1.00 0.24 H new ATOM 0 HG2 ARG A 437 -11.921 9.680 -5.341 1.00 0.27 H new ATOM 0 HG3 ARG A 437 -10.325 9.349 -4.698 1.00 0.27 H new ATOM 0 HD2 ARG A 437 -9.862 9.607 -6.929 1.00 0.40 H new ATOM 0 HD3 ARG A 437 -10.046 7.868 -6.816 1.00 0.40 H new ATOM 0 HE ARG A 437 -12.386 8.153 -7.650 1.00 0.71 H new ATOM 0 HH11 ARG A 437 -10.015 10.723 -8.211 1.00 1.82 H new ATOM 0 HH12 ARG A 437 -10.904 11.389 -9.585 1.00 1.82 H new ATOM 0 HH21 ARG A 437 -13.525 9.041 -9.381 1.00 1.47 H new ATOM 0 HH22 ARG A 437 -12.880 10.441 -10.243 1.00 1.47 H new ATOM 1551 N GLY A 438 -12.356 7.054 -1.710 1.00 0.17 N ATOM 1552 CA GLY A 438 -12.636 6.265 -0.534 1.00 0.18 C ATOM 1553 C GLY A 438 -12.317 4.784 -0.635 1.00 0.21 C ATOM 1554 O GLY A 438 -13.171 3.966 -0.297 1.00 0.24 O ATOM 0 H GLY A 438 -11.781 7.879 -1.538 1.00 0.17 H new ATOM 0 HA2 GLY A 438 -12.073 6.682 0.301 1.00 0.18 H new ATOM 0 HA3 GLY A 438 -13.693 6.373 -0.291 1.00 0.18 H new ATOM 1558 N SER A 439 -11.129 4.395 -1.083 1.00 0.22 N ATOM 1559 CA SER A 439 -10.898 2.969 -1.282 1.00 0.27 C ATOM 1560 C SER A 439 -10.524 2.285 0.029 1.00 0.27 C ATOM 1561 O SER A 439 -9.433 2.491 0.555 1.00 0.27 O ATOM 1562 CB SER A 439 -9.790 2.718 -2.305 1.00 0.31 C ATOM 1563 OG SER A 439 -10.084 3.325 -3.557 1.00 1.01 O ATOM 0 H SER A 439 -10.347 5.010 -1.306 1.00 0.22 H new ATOM 0 HA SER A 439 -11.831 2.549 -1.658 1.00 0.27 H new ATOM 0 HB2 SER A 439 -8.847 3.109 -1.923 1.00 0.31 H new ATOM 0 HB3 SER A 439 -9.658 1.645 -2.443 1.00 0.31 H new ATOM 0 HG SER A 439 -9.293 3.285 -4.134 1.00 1.01 H new ATOM 1569 N HIS A 440 -11.439 1.445 0.516 1.00 0.29 N ATOM 1570 CA HIS A 440 -11.244 0.647 1.730 1.00 0.32 C ATOM 1571 C HIS A 440 -10.483 1.386 2.835 1.00 0.28 C ATOM 1572 O HIS A 440 -10.956 2.384 3.377 1.00 0.34 O ATOM 1573 CB HIS A 440 -10.516 -0.657 1.416 1.00 0.36 C ATOM 1574 CG HIS A 440 -11.379 -1.780 0.960 1.00 0.40 C ATOM 1575 ND1 HIS A 440 -12.473 -2.215 1.668 1.00 0.45 N ATOM 1576 CD2 HIS A 440 -11.271 -2.598 -0.114 1.00 0.42 C ATOM 1577 CE1 HIS A 440 -13.001 -3.253 1.059 1.00 0.50 C ATOM 1578 NE2 HIS A 440 -12.298 -3.505 -0.032 1.00 0.48 N ATOM 0 H HIS A 440 -12.347 1.297 0.074 1.00 0.29 H new ATOM 0 HA HIS A 440 -12.247 0.441 2.103 1.00 0.32 H new ATOM 0 HB2 HIS A 440 -9.770 -0.460 0.646 1.00 0.36 H new ATOM 0 HB3 HIS A 440 -9.977 -0.975 2.308 1.00 0.36 H new ATOM 0 HD2 HIS A 440 -10.520 -2.546 -0.888 1.00 0.42 H new ATOM 0 HE1 HIS A 440 -13.865 -3.808 1.394 1.00 0.50 H new ATOM 0 HE2 HIS A 440 -12.488 -4.250 -0.702 1.00 0.48 H new ATOM 1587 N GLY A 441 -9.280 0.897 3.132 1.00 0.23 N ATOM 1588 CA GLY A 441 -8.518 1.417 4.247 1.00 0.22 C ATOM 1589 C GLY A 441 -7.020 1.489 3.988 1.00 0.17 C ATOM 1590 O GLY A 441 -6.300 2.141 4.740 1.00 0.26 O ATOM 0 H GLY A 441 -8.821 0.147 2.615 1.00 0.23 H new ATOM 0 HA2 GLY A 441 -8.883 2.415 4.491 1.00 0.22 H new ATOM 0 HA3 GLY A 441 -8.696 0.790 5.121 1.00 0.22 H new ATOM 1594 N CYS A 442 -6.531 0.814 2.944 1.00 0.10 N ATOM 1595 CA CYS A 442 -5.106 0.792 2.676 1.00 0.15 C ATOM 1596 C CYS A 442 -4.716 1.745 1.555 1.00 0.13 C ATOM 1597 O CYS A 442 -5.463 2.647 1.201 1.00 0.21 O ATOM 1598 CB CYS A 442 -4.645 -0.616 2.315 1.00 0.24 C ATOM 1599 SG CYS A 442 -5.473 -1.314 0.874 1.00 0.35 S ATOM 0 H CYS A 442 -7.099 0.284 2.283 1.00 0.10 H new ATOM 0 HA CYS A 442 -4.613 1.120 3.592 1.00 0.15 H new ATOM 0 HB2 CYS A 442 -3.571 -0.599 2.131 1.00 0.24 H new ATOM 0 HB3 CYS A 442 -4.812 -1.272 3.170 1.00 0.24 H new ATOM 0 HG CYS A 442 -5.013 -2.508 0.646 1.00 0.35 H new ATOM 1604 N ILE A 443 -3.484 1.585 1.082 1.00 0.09 N ATOM 1605 CA ILE A 443 -2.901 2.483 0.098 1.00 0.07 C ATOM 1606 C ILE A 443 -2.992 1.888 -1.292 1.00 0.08 C ATOM 1607 O ILE A 443 -2.572 0.755 -1.522 1.00 0.12 O ATOM 1608 CB ILE A 443 -1.417 2.786 0.414 1.00 0.07 C ATOM 1609 CG1 ILE A 443 -1.262 3.697 1.638 1.00 0.09 C ATOM 1610 CG2 ILE A 443 -0.723 3.420 -0.793 1.00 0.07 C ATOM 1611 CD1 ILE A 443 -1.625 3.062 2.964 1.00 0.11 C ATOM 0 H ILE A 443 -2.864 0.829 1.372 1.00 0.09 H new ATOM 0 HA ILE A 443 -3.469 3.412 0.140 1.00 0.07 H new ATOM 0 HB ILE A 443 -0.942 1.832 0.643 1.00 0.07 H new ATOM 0 HG12 ILE A 443 -0.228 4.039 1.688 1.00 0.09 H new ATOM 0 HG13 ILE A 443 -1.884 4.581 1.494 1.00 0.09 H new ATOM 0 HG21 ILE A 443 0.319 3.624 -0.548 1.00 0.07 H new ATOM 0 HG22 ILE A 443 -0.769 2.736 -1.640 1.00 0.07 H new ATOM 0 HG23 ILE A 443 -1.224 4.353 -1.052 1.00 0.07 H new ATOM 0 HD11 ILE A 443 -1.482 3.786 3.766 1.00 0.11 H new ATOM 0 HD12 ILE A 443 -2.668 2.746 2.943 1.00 0.11 H new ATOM 0 HD13 ILE A 443 -0.987 2.196 3.139 1.00 0.11 H new ATOM 1623 N ASN A 444 -3.524 2.670 -2.213 1.00 0.08 N ATOM 1624 CA ASN A 444 -3.712 2.217 -3.581 1.00 0.08 C ATOM 1625 C ASN A 444 -2.604 2.756 -4.470 1.00 0.07 C ATOM 1626 O ASN A 444 -2.678 3.874 -4.977 1.00 0.11 O ATOM 1627 CB ASN A 444 -5.081 2.640 -4.110 1.00 0.11 C ATOM 1628 CG ASN A 444 -6.230 1.790 -3.584 1.00 0.27 C ATOM 1629 OD1 ASN A 444 -7.253 1.629 -4.255 1.00 0.62 O ATOM 1630 ND2 ASN A 444 -6.072 1.220 -2.398 1.00 0.15 N ATOM 0 H ASN A 444 -3.835 3.626 -2.039 1.00 0.08 H new ATOM 0 HA ASN A 444 -3.668 1.128 -3.592 1.00 0.08 H new ATOM 0 HB2 ASN A 444 -5.259 3.681 -3.841 1.00 0.11 H new ATOM 0 HB3 ASN A 444 -5.072 2.589 -5.199 1.00 0.11 H new ATOM 0 HD21 ASN A 444 -6.809 0.628 -2.015 1.00 0.15 H new ATOM 0 HD22 ASN A 444 -5.214 1.374 -1.869 1.00 0.15 H new ATOM 1637 N THR A 445 -1.564 1.964 -4.604 1.00 0.08 N ATOM 1638 CA THR A 445 -0.398 2.297 -5.378 1.00 0.08 C ATOM 1639 C THR A 445 -0.530 1.894 -6.838 1.00 0.08 C ATOM 1640 O THR A 445 -1.136 0.895 -7.162 1.00 0.10 O ATOM 1641 CB THR A 445 0.786 1.588 -4.733 1.00 0.06 C ATOM 1642 OG1 THR A 445 0.703 1.692 -3.305 1.00 0.09 O ATOM 1643 CG2 THR A 445 2.064 2.189 -5.187 1.00 0.06 C ATOM 0 H THR A 445 -1.508 1.046 -4.164 1.00 0.08 H new ATOM 0 HA THR A 445 -0.263 3.379 -5.379 1.00 0.08 H new ATOM 0 HB THR A 445 0.757 0.539 -5.029 1.00 0.06 H new ATOM 0 HG1 THR A 445 1.583 1.925 -2.942 1.00 0.09 H new ATOM 0 HG21 THR A 445 2.898 1.669 -4.716 1.00 0.06 H new ATOM 0 HG22 THR A 445 2.145 2.097 -6.270 1.00 0.06 H new ATOM 0 HG23 THR A 445 2.089 3.243 -4.909 1.00 0.06 H new ATOM 1651 N PRO A 446 0.014 2.724 -7.736 1.00 0.08 N ATOM 1652 CA PRO A 446 0.068 2.444 -9.171 1.00 0.10 C ATOM 1653 C PRO A 446 0.628 1.082 -9.480 1.00 0.14 C ATOM 1654 O PRO A 446 1.558 0.603 -8.826 1.00 0.24 O ATOM 1655 CB PRO A 446 0.989 3.539 -9.703 1.00 0.10 C ATOM 1656 CG PRO A 446 0.830 4.658 -8.748 1.00 0.08 C ATOM 1657 CD PRO A 446 0.593 4.031 -7.412 1.00 0.07 C ATOM 0 HA PRO A 446 -0.924 2.440 -9.622 1.00 0.10 H new ATOM 0 HB2 PRO A 446 2.024 3.200 -9.747 1.00 0.10 H new ATOM 0 HB3 PRO A 446 0.708 3.837 -10.713 1.00 0.10 H new ATOM 0 HG2 PRO A 446 1.721 5.286 -8.731 1.00 0.08 H new ATOM 0 HG3 PRO A 446 -0.006 5.298 -9.032 1.00 0.08 H new ATOM 0 HD2 PRO A 446 1.520 3.929 -6.848 1.00 0.07 H new ATOM 0 HD3 PRO A 446 -0.086 4.629 -6.804 1.00 0.07 H new ATOM 1665 N PRO A 447 0.073 0.445 -10.503 1.00 0.12 N ATOM 1666 CA PRO A 447 0.440 -0.904 -10.878 1.00 0.12 C ATOM 1667 C PRO A 447 1.891 -0.991 -11.344 1.00 0.14 C ATOM 1668 O PRO A 447 2.537 -2.037 -11.254 1.00 0.31 O ATOM 1669 CB PRO A 447 -0.507 -1.217 -12.025 1.00 0.15 C ATOM 1670 CG PRO A 447 -1.617 -0.263 -11.862 1.00 0.14 C ATOM 1671 CD PRO A 447 -0.965 0.980 -11.394 1.00 0.13 C ATOM 0 HA PRO A 447 0.363 -1.601 -10.044 1.00 0.12 H new ATOM 0 HB2 PRO A 447 -0.016 -1.092 -12.990 1.00 0.15 H new ATOM 0 HB3 PRO A 447 -0.860 -2.247 -11.978 1.00 0.15 H new ATOM 0 HG2 PRO A 447 -2.147 -0.105 -12.801 1.00 0.14 H new ATOM 0 HG3 PRO A 447 -2.349 -0.624 -11.140 1.00 0.14 H new ATOM 0 HD2 PRO A 447 -0.543 1.557 -12.217 1.00 0.13 H new ATOM 0 HD3 PRO A 447 -1.660 1.635 -10.868 1.00 0.13 H new ATOM 1679 N SER A 448 2.402 0.134 -11.802 1.00 0.12 N ATOM 1680 CA SER A 448 3.731 0.211 -12.373 1.00 0.11 C ATOM 1681 C SER A 448 4.819 0.228 -11.311 1.00 0.09 C ATOM 1682 O SER A 448 5.965 -0.113 -11.561 1.00 0.09 O ATOM 1683 CB SER A 448 3.819 1.479 -13.191 1.00 0.14 C ATOM 1684 OG SER A 448 3.435 2.602 -12.411 1.00 1.10 O ATOM 0 H SER A 448 1.905 1.024 -11.788 1.00 0.12 H new ATOM 0 HA SER A 448 3.891 -0.676 -12.987 1.00 0.11 H new ATOM 0 HB2 SER A 448 4.837 1.613 -13.556 1.00 0.14 H new ATOM 0 HB3 SER A 448 3.175 1.399 -14.066 1.00 0.14 H new ATOM 0 HG SER A 448 3.499 3.415 -12.954 1.00 1.10 H new ATOM 1690 N VAL A 449 4.463 0.685 -10.135 1.00 0.07 N ATOM 1691 CA VAL A 449 5.445 0.932 -9.097 1.00 0.06 C ATOM 1692 C VAL A 449 5.515 -0.176 -8.087 1.00 0.05 C ATOM 1693 O VAL A 449 6.583 -0.669 -7.783 1.00 0.05 O ATOM 1694 CB VAL A 449 5.150 2.257 -8.423 1.00 0.06 C ATOM 1695 CG1 VAL A 449 5.217 3.344 -9.457 1.00 0.08 C ATOM 1696 CG2 VAL A 449 3.800 2.215 -7.774 1.00 0.06 C ATOM 0 H VAL A 449 3.501 0.895 -9.869 1.00 0.07 H new ATOM 0 HA VAL A 449 6.424 0.973 -9.574 1.00 0.06 H new ATOM 0 HB VAL A 449 5.886 2.456 -7.644 1.00 0.06 H new ATOM 0 HG11 VAL A 449 5.007 4.305 -8.988 1.00 0.08 H new ATOM 0 HG12 VAL A 449 6.213 3.365 -9.898 1.00 0.08 H new ATOM 0 HG13 VAL A 449 4.479 3.151 -10.236 1.00 0.08 H new ATOM 0 HG21 VAL A 449 3.598 3.172 -7.293 1.00 0.06 H new ATOM 0 HG22 VAL A 449 3.039 2.021 -8.530 1.00 0.06 H new ATOM 0 HG23 VAL A 449 3.780 1.422 -7.027 1.00 0.06 H new ATOM 1706 N MET A 450 4.396 -0.598 -7.581 1.00 0.05 N ATOM 1707 CA MET A 450 4.405 -1.640 -6.582 1.00 0.05 C ATOM 1708 C MET A 450 4.892 -2.945 -7.184 1.00 0.05 C ATOM 1709 O MET A 450 5.058 -3.940 -6.482 1.00 0.06 O ATOM 1710 CB MET A 450 3.042 -1.782 -5.916 1.00 0.07 C ATOM 1711 CG MET A 450 2.985 -1.273 -4.480 1.00 0.06 C ATOM 1712 SD MET A 450 3.251 -2.564 -3.245 1.00 0.06 S ATOM 1713 CE MET A 450 2.971 -4.035 -4.203 1.00 0.05 C ATOM 0 H MET A 450 3.473 -0.247 -7.835 1.00 0.05 H new ATOM 0 HA MET A 450 5.105 -1.361 -5.795 1.00 0.05 H new ATOM 0 HB2 MET A 450 2.304 -1.242 -6.509 1.00 0.07 H new ATOM 0 HB3 MET A 450 2.754 -2.833 -5.927 1.00 0.07 H new ATOM 0 HG2 MET A 450 3.738 -0.495 -4.349 1.00 0.06 H new ATOM 0 HG3 MET A 450 2.014 -0.809 -4.306 1.00 0.06 H new ATOM 0 HE1 MET A 450 2.872 -4.891 -3.535 1.00 0.05 H new ATOM 0 HE2 MET A 450 2.057 -3.921 -4.785 1.00 0.05 H new ATOM 0 HE3 MET A 450 3.813 -4.196 -4.877 1.00 0.05 H new ATOM 1723 N LYS A 451 5.172 -2.934 -8.466 1.00 0.05 N ATOM 1724 CA LYS A 451 5.768 -4.085 -9.088 1.00 0.05 C ATOM 1725 C LYS A 451 7.259 -4.054 -8.811 1.00 0.05 C ATOM 1726 O LYS A 451 7.896 -5.064 -8.497 1.00 0.06 O ATOM 1727 CB LYS A 451 5.515 -4.062 -10.576 1.00 0.06 C ATOM 1728 CG LYS A 451 6.258 -2.980 -11.220 1.00 0.06 C ATOM 1729 CD LYS A 451 6.030 -2.949 -12.681 1.00 0.08 C ATOM 1730 CE LYS A 451 7.101 -2.125 -13.306 1.00 0.10 C ATOM 1731 NZ LYS A 451 6.776 -1.703 -14.695 1.00 0.92 N1+ ATOM 0 H LYS A 451 4.997 -2.147 -9.091 1.00 0.05 H new ATOM 0 HA LYS A 451 5.331 -4.998 -8.684 1.00 0.05 H new ATOM 0 HB2 LYS A 451 5.807 -5.017 -11.012 1.00 0.06 H new ATOM 0 HB3 LYS A 451 4.449 -3.938 -10.765 1.00 0.06 H new ATOM 0 HG2 LYS A 451 5.960 -2.026 -10.786 1.00 0.06 H new ATOM 0 HG3 LYS A 451 7.323 -3.102 -11.021 1.00 0.06 H new ATOM 0 HD2 LYS A 451 6.043 -3.960 -13.088 1.00 0.08 H new ATOM 0 HD3 LYS A 451 5.049 -2.528 -12.903 1.00 0.08 H new ATOM 0 HE2 LYS A 451 7.274 -1.239 -12.694 1.00 0.10 H new ATOM 0 HE3 LYS A 451 8.031 -2.693 -13.313 1.00 0.10 H new ATOM 0 HZ1 LYS A 451 7.558 -1.133 -15.077 1.00 0.92 H new ATOM 0 HZ2 LYS A 451 6.638 -2.545 -15.290 1.00 0.92 H new ATOM 0 HZ3 LYS A 451 5.904 -1.136 -14.691 1.00 0.92 H new ATOM 1745 N GLU A 452 7.766 -2.820 -8.874 1.00 0.05 N ATOM 1746 CA GLU A 452 9.141 -2.494 -8.708 1.00 0.05 C ATOM 1747 C GLU A 452 9.508 -2.902 -7.341 1.00 0.05 C ATOM 1748 O GLU A 452 10.550 -3.473 -7.061 1.00 0.06 O ATOM 1749 CB GLU A 452 9.240 -0.997 -8.783 1.00 0.05 C ATOM 1750 CG GLU A 452 8.795 -0.429 -10.087 1.00 0.07 C ATOM 1751 CD GLU A 452 9.923 -0.180 -11.062 1.00 0.12 C ATOM 1752 OE1 GLU A 452 10.620 0.847 -10.920 1.00 0.25 O1- ATOM 1753 OE2 GLU A 452 10.124 -1.011 -11.974 1.00 0.24 O ATOM 0 H GLU A 452 7.184 -2.001 -9.051 1.00 0.05 H new ATOM 0 HA GLU A 452 9.777 -2.973 -9.452 1.00 0.05 H new ATOM 0 HB2 GLU A 452 8.639 -0.562 -7.984 1.00 0.05 H new ATOM 0 HB3 GLU A 452 10.273 -0.701 -8.602 1.00 0.05 H new ATOM 0 HG2 GLU A 452 8.077 -1.111 -10.543 1.00 0.07 H new ATOM 0 HG3 GLU A 452 8.272 0.510 -9.904 1.00 0.07 H new ATOM 1760 N LEU A 453 8.598 -2.494 -6.502 1.00 0.04 N ATOM 1761 CA LEU A 453 8.534 -2.826 -5.141 1.00 0.04 C ATOM 1762 C LEU A 453 8.726 -4.273 -4.895 1.00 0.05 C ATOM 1763 O LEU A 453 9.708 -4.658 -4.299 1.00 0.05 O ATOM 1764 CB LEU A 453 7.167 -2.437 -4.661 1.00 0.04 C ATOM 1765 CG LEU A 453 7.162 -1.867 -3.308 1.00 0.04 C ATOM 1766 CD1 LEU A 453 8.335 -0.994 -3.163 1.00 0.03 C ATOM 1767 CD2 LEU A 453 5.946 -1.070 -3.062 1.00 0.05 C ATOM 0 H LEU A 453 7.837 -1.879 -6.790 1.00 0.04 H new ATOM 0 HA LEU A 453 9.333 -2.303 -4.615 1.00 0.04 H new ATOM 0 HB2 LEU A 453 6.740 -1.712 -5.354 1.00 0.04 H new ATOM 0 HB3 LEU A 453 6.521 -3.315 -4.679 1.00 0.04 H new ATOM 0 HG LEU A 453 7.187 -2.685 -2.589 1.00 0.04 H new ATOM 0 HD11 LEU A 453 8.346 -0.562 -2.162 1.00 0.03 H new ATOM 0 HD12 LEU A 453 9.243 -1.577 -3.317 1.00 0.03 H new ATOM 0 HD13 LEU A 453 8.287 -0.195 -3.902 1.00 0.03 H new ATOM 0 HD21 LEU A 453 5.976 -0.663 -2.051 1.00 0.05 H new ATOM 0 HD22 LEU A 453 5.895 -0.252 -3.781 1.00 0.05 H new ATOM 0 HD23 LEU A 453 5.067 -1.705 -3.172 1.00 0.05 H new ATOM 1779 N PHE A 454 7.783 -5.063 -5.336 1.00 0.05 N ATOM 1780 CA PHE A 454 7.894 -6.519 -5.205 1.00 0.06 C ATOM 1781 C PHE A 454 9.299 -6.966 -5.619 1.00 0.07 C ATOM 1782 O PHE A 454 9.823 -7.978 -5.144 1.00 0.09 O ATOM 1783 CB PHE A 454 6.820 -7.239 -6.045 1.00 0.07 C ATOM 1784 CG PHE A 454 6.968 -8.747 -6.097 1.00 0.08 C ATOM 1785 CD1 PHE A 454 7.914 -9.321 -6.935 1.00 0.11 C ATOM 1786 CD2 PHE A 454 6.178 -9.597 -5.317 1.00 0.09 C ATOM 1787 CE1 PHE A 454 8.078 -10.688 -6.993 1.00 0.13 C ATOM 1788 CE2 PHE A 454 6.345 -10.967 -5.384 1.00 0.12 C ATOM 1789 CZ PHE A 454 7.295 -11.510 -6.216 1.00 0.12 C ATOM 0 H PHE A 454 6.928 -4.740 -5.789 1.00 0.05 H new ATOM 0 HA PHE A 454 7.727 -6.789 -4.162 1.00 0.06 H new ATOM 0 HB2 PHE A 454 5.837 -6.997 -5.640 1.00 0.07 H new ATOM 0 HB3 PHE A 454 6.850 -6.848 -7.062 1.00 0.07 H new ATOM 0 HD1 PHE A 454 8.532 -8.686 -7.552 1.00 0.11 H new ATOM 0 HD2 PHE A 454 5.432 -9.180 -4.657 1.00 0.09 H new ATOM 0 HE1 PHE A 454 8.822 -11.115 -7.649 1.00 0.13 H new ATOM 0 HE2 PHE A 454 5.726 -11.614 -4.780 1.00 0.12 H new ATOM 0 HZ PHE A 454 7.427 -12.581 -6.260 1.00 0.12 H new ATOM 1799 N GLY A 455 9.926 -6.133 -6.446 1.00 0.06 N ATOM 1800 CA GLY A 455 11.220 -6.454 -6.991 1.00 0.08 C ATOM 1801 C GLY A 455 12.344 -5.987 -6.090 1.00 0.08 C ATOM 1802 O GLY A 455 13.440 -6.546 -6.122 1.00 0.13 O ATOM 0 H GLY A 455 9.550 -5.234 -6.747 1.00 0.06 H new ATOM 0 HA2 GLY A 455 11.295 -7.532 -7.137 1.00 0.08 H new ATOM 0 HA3 GLY A 455 11.325 -5.992 -7.972 1.00 0.08 H new ATOM 1806 N MET A 456 12.090 -4.945 -5.297 1.00 0.06 N ATOM 1807 CA MET A 456 13.079 -4.472 -4.352 1.00 0.05 C ATOM 1808 C MET A 456 12.820 -4.929 -2.951 1.00 0.05 C ATOM 1809 O MET A 456 13.744 -5.311 -2.237 1.00 0.06 O ATOM 1810 CB MET A 456 13.203 -2.974 -4.357 1.00 0.05 C ATOM 1811 CG MET A 456 11.922 -2.265 -4.515 1.00 0.04 C ATOM 1812 SD MET A 456 11.977 -1.076 -5.842 1.00 0.05 S ATOM 1813 CE MET A 456 10.516 -0.208 -5.393 1.00 0.04 C ATOM 0 H MET A 456 11.214 -4.423 -5.296 1.00 0.06 H new ATOM 0 HA MET A 456 14.016 -4.913 -4.691 1.00 0.05 H new ATOM 0 HB2 MET A 456 13.670 -2.656 -3.425 1.00 0.05 H new ATOM 0 HB3 MET A 456 13.872 -2.678 -5.165 1.00 0.05 H new ATOM 0 HG2 MET A 456 11.129 -2.988 -4.708 1.00 0.04 H new ATOM 0 HG3 MET A 456 11.671 -1.758 -3.584 1.00 0.04 H new ATOM 0 HE1 MET A 456 9.724 -0.434 -6.107 1.00 0.04 H new ATOM 0 HE2 MET A 456 10.203 -0.515 -4.395 1.00 0.04 H new ATOM 0 HE3 MET A 456 10.714 0.864 -5.398 1.00 0.04 H new ATOM 1823 N VAL A 457 11.589 -4.859 -2.530 1.00 0.05 N ATOM 1824 CA VAL A 457 11.271 -5.284 -1.200 1.00 0.05 C ATOM 1825 C VAL A 457 11.279 -6.771 -1.093 1.00 0.07 C ATOM 1826 O VAL A 457 10.954 -7.508 -2.028 1.00 0.08 O ATOM 1827 CB VAL A 457 9.953 -4.713 -0.655 1.00 0.05 C ATOM 1828 CG1 VAL A 457 9.207 -3.914 -1.698 1.00 0.04 C ATOM 1829 CG2 VAL A 457 9.080 -5.808 -0.068 1.00 0.05 C ATOM 0 H VAL A 457 10.801 -4.517 -3.080 1.00 0.05 H new ATOM 0 HA VAL A 457 12.060 -4.872 -0.571 1.00 0.05 H new ATOM 0 HB VAL A 457 10.210 -4.024 0.149 1.00 0.05 H new ATOM 0 HG11 VAL A 457 8.282 -3.530 -1.269 1.00 0.04 H new ATOM 0 HG12 VAL A 457 9.827 -3.081 -2.030 1.00 0.04 H new ATOM 0 HG13 VAL A 457 8.974 -4.554 -2.549 1.00 0.04 H new ATOM 0 HG21 VAL A 457 8.155 -5.373 0.309 1.00 0.05 H new ATOM 0 HG22 VAL A 457 8.848 -6.541 -0.840 1.00 0.05 H new ATOM 0 HG23 VAL A 457 9.610 -6.297 0.749 1.00 0.05 H new ATOM 1839 N GLU A 458 11.674 -7.183 0.070 1.00 0.08 N ATOM 1840 CA GLU A 458 11.781 -8.554 0.385 1.00 0.10 C ATOM 1841 C GLU A 458 10.823 -8.863 1.497 1.00 0.09 C ATOM 1842 O GLU A 458 10.405 -7.971 2.228 1.00 0.10 O ATOM 1843 CB GLU A 458 13.199 -8.844 0.832 1.00 0.13 C ATOM 1844 CG GLU A 458 14.052 -7.606 0.868 1.00 0.20 C ATOM 1845 CD GLU A 458 15.327 -7.794 1.651 1.00 0.27 C ATOM 1846 OE1 GLU A 458 16.174 -8.603 1.229 1.00 0.48 O1- ATOM 1847 OE2 GLU A 458 15.488 -7.135 2.700 1.00 0.46 O ATOM 0 H GLU A 458 11.933 -6.558 0.833 1.00 0.08 H new ATOM 0 HA GLU A 458 11.544 -9.168 -0.484 1.00 0.10 H new ATOM 0 HB2 GLU A 458 13.179 -9.298 1.823 1.00 0.13 H new ATOM 0 HB3 GLU A 458 13.648 -9.572 0.157 1.00 0.13 H new ATOM 0 HG2 GLU A 458 14.298 -7.311 -0.152 1.00 0.20 H new ATOM 0 HG3 GLU A 458 13.479 -6.789 1.307 1.00 0.20 H new ATOM 1854 N LYS A 459 10.434 -10.113 1.587 1.00 0.11 N ATOM 1855 CA LYS A 459 9.674 -10.570 2.714 1.00 0.13 C ATOM 1856 C LYS A 459 10.454 -10.341 3.973 1.00 0.15 C ATOM 1857 O LYS A 459 11.355 -11.105 4.327 1.00 0.18 O ATOM 1858 CB LYS A 459 9.317 -12.016 2.554 1.00 0.16 C ATOM 1859 CG LYS A 459 8.670 -12.239 1.236 1.00 0.22 C ATOM 1860 CD LYS A 459 7.995 -13.567 1.207 1.00 0.70 C ATOM 1861 CE LYS A 459 8.962 -14.672 0.821 1.00 0.40 C ATOM 1862 NZ LYS A 459 8.274 -15.976 0.629 1.00 0.99 N1+ ATOM 0 H LYS A 459 10.635 -10.829 0.889 1.00 0.11 H new ATOM 0 HA LYS A 459 8.744 -10.005 2.774 1.00 0.13 H new ATOM 0 HB2 LYS A 459 10.213 -12.631 2.637 1.00 0.16 H new ATOM 0 HB3 LYS A 459 8.644 -12.323 3.355 1.00 0.16 H new ATOM 0 HG2 LYS A 459 7.943 -11.450 1.042 1.00 0.22 H new ATOM 0 HG3 LYS A 459 9.417 -12.186 0.444 1.00 0.22 H new ATOM 0 HD2 LYS A 459 7.568 -13.781 2.187 1.00 0.70 H new ATOM 0 HD3 LYS A 459 7.168 -13.541 0.497 1.00 0.70 H new ATOM 0 HE2 LYS A 459 9.478 -14.396 -0.098 1.00 0.40 H new ATOM 0 HE3 LYS A 459 9.722 -14.774 1.595 1.00 0.40 H new ATOM 0 HZ1 LYS A 459 8.972 -16.701 0.367 1.00 0.99 H new ATOM 0 HZ2 LYS A 459 7.802 -16.253 1.513 1.00 0.99 H new ATOM 0 HZ3 LYS A 459 7.566 -15.887 -0.128 1.00 0.99 H new ATOM 1876 N GLY A 460 10.067 -9.291 4.642 1.00 0.15 N ATOM 1877 CA GLY A 460 10.767 -8.858 5.823 1.00 0.19 C ATOM 1878 C GLY A 460 11.044 -7.372 5.788 1.00 0.15 C ATOM 1879 O GLY A 460 11.407 -6.773 6.793 1.00 0.17 O ATOM 0 H GLY A 460 9.265 -8.714 4.389 1.00 0.15 H new ATOM 0 HA2 GLY A 460 10.176 -9.098 6.707 1.00 0.19 H new ATOM 0 HA3 GLY A 460 11.707 -9.403 5.911 1.00 0.19 H new ATOM 1883 N THR A 461 10.883 -6.784 4.612 1.00 0.12 N ATOM 1884 CA THR A 461 10.951 -5.354 4.449 1.00 0.07 C ATOM 1885 C THR A 461 9.796 -4.718 5.205 1.00 0.08 C ATOM 1886 O THR A 461 8.761 -5.344 5.401 1.00 0.13 O ATOM 1887 CB THR A 461 10.894 -5.006 2.938 1.00 0.06 C ATOM 1888 OG1 THR A 461 12.132 -5.355 2.305 1.00 0.08 O ATOM 1889 CG2 THR A 461 10.583 -3.542 2.698 1.00 0.05 C ATOM 0 H THR A 461 10.702 -7.293 3.747 1.00 0.12 H new ATOM 0 HA THR A 461 11.887 -4.966 4.852 1.00 0.07 H new ATOM 0 HB THR A 461 10.082 -5.588 2.501 1.00 0.06 H new ATOM 0 HG1 THR A 461 12.375 -4.661 1.657 1.00 0.08 H new ATOM 0 HG21 THR A 461 10.554 -3.347 1.626 1.00 0.05 H new ATOM 0 HG22 THR A 461 9.616 -3.299 3.138 1.00 0.05 H new ATOM 0 HG23 THR A 461 11.356 -2.926 3.158 1.00 0.05 H new ATOM 1897 N PRO A 462 9.952 -3.499 5.701 1.00 0.09 N ATOM 1898 CA PRO A 462 8.901 -2.812 6.367 1.00 0.14 C ATOM 1899 C PRO A 462 8.157 -1.942 5.386 1.00 0.13 C ATOM 1900 O PRO A 462 8.653 -1.646 4.298 1.00 0.18 O ATOM 1901 CB PRO A 462 9.655 -1.966 7.403 1.00 0.18 C ATOM 1902 CG PRO A 462 11.105 -2.141 7.072 1.00 0.13 C ATOM 1903 CD PRO A 462 11.134 -2.660 5.686 1.00 0.09 C ATOM 0 HA PRO A 462 8.154 -3.465 6.818 1.00 0.14 H new ATOM 0 HB2 PRO A 462 9.361 -0.918 7.344 1.00 0.18 H new ATOM 0 HB3 PRO A 462 9.439 -2.301 8.417 1.00 0.18 H new ATOM 0 HG2 PRO A 462 11.642 -1.195 7.148 1.00 0.13 H new ATOM 0 HG3 PRO A 462 11.584 -2.836 7.762 1.00 0.13 H new ATOM 0 HD2 PRO A 462 11.070 -1.865 4.943 1.00 0.09 H new ATOM 0 HD3 PRO A 462 12.042 -3.224 5.472 1.00 0.09 H new ATOM 1911 N VAL A 463 6.982 -1.542 5.743 1.00 0.09 N ATOM 1912 CA VAL A 463 6.283 -0.576 4.947 1.00 0.09 C ATOM 1913 C VAL A 463 5.903 0.557 5.847 1.00 0.08 C ATOM 1914 O VAL A 463 5.767 0.390 7.052 1.00 0.10 O ATOM 1915 CB VAL A 463 5.011 -1.107 4.272 1.00 0.19 C ATOM 1916 CG1 VAL A 463 5.245 -2.471 3.661 1.00 0.57 C ATOM 1917 CG2 VAL A 463 3.881 -1.132 5.269 1.00 0.54 C ATOM 0 H VAL A 463 6.484 -1.863 6.574 1.00 0.09 H new ATOM 0 HA VAL A 463 6.953 -0.281 4.140 1.00 0.09 H new ATOM 0 HB VAL A 463 4.738 -0.438 3.456 1.00 0.19 H new ATOM 0 HG11 VAL A 463 4.326 -2.821 3.190 1.00 0.57 H new ATOM 0 HG12 VAL A 463 6.034 -2.404 2.912 1.00 0.57 H new ATOM 0 HG13 VAL A 463 5.544 -3.172 4.440 1.00 0.57 H new ATOM 0 HG21 VAL A 463 2.979 -1.509 4.787 1.00 0.54 H new ATOM 0 HG22 VAL A 463 4.146 -1.782 6.103 1.00 0.54 H new ATOM 0 HG23 VAL A 463 3.700 -0.123 5.639 1.00 0.54 H new ATOM 1927 N LEU A 464 5.791 1.702 5.295 1.00 0.07 N ATOM 1928 CA LEU A 464 5.348 2.821 6.031 1.00 0.07 C ATOM 1929 C LEU A 464 4.329 3.529 5.229 1.00 0.07 C ATOM 1930 O LEU A 464 4.285 3.397 4.017 1.00 0.09 O ATOM 1931 CB LEU A 464 6.522 3.720 6.352 1.00 0.10 C ATOM 1932 CG LEU A 464 7.466 3.146 7.361 1.00 0.10 C ATOM 1933 CD1 LEU A 464 8.537 2.382 6.666 1.00 0.09 C ATOM 1934 CD2 LEU A 464 8.043 4.255 8.194 1.00 0.13 C ATOM 0 H LEU A 464 6.005 1.892 4.316 1.00 0.07 H new ATOM 0 HA LEU A 464 4.904 2.510 6.977 1.00 0.07 H new ATOM 0 HB2 LEU A 464 7.070 3.928 5.433 1.00 0.10 H new ATOM 0 HB3 LEU A 464 6.146 4.674 6.722 1.00 0.10 H new ATOM 0 HG LEU A 464 6.934 2.461 8.021 1.00 0.10 H new ATOM 0 HD11 LEU A 464 9.223 1.965 7.403 1.00 0.09 H new ATOM 0 HD12 LEU A 464 8.090 1.573 6.088 1.00 0.09 H new ATOM 0 HD13 LEU A 464 9.083 3.047 5.997 1.00 0.09 H new ATOM 0 HD21 LEU A 464 8.731 3.838 8.929 1.00 0.13 H new ATOM 0 HD22 LEU A 464 8.579 4.952 7.550 1.00 0.13 H new ATOM 0 HD23 LEU A 464 7.238 4.781 8.708 1.00 0.13 H new ATOM 1946 N VAL A 465 3.440 4.144 5.929 1.00 0.06 N ATOM 1947 CA VAL A 465 2.590 5.153 5.386 1.00 0.05 C ATOM 1948 C VAL A 465 2.508 6.180 6.477 1.00 0.08 C ATOM 1949 O VAL A 465 2.489 5.790 7.626 1.00 0.10 O ATOM 1950 CB VAL A 465 1.198 4.602 4.973 1.00 0.07 C ATOM 1951 CG1 VAL A 465 1.275 3.125 4.677 1.00 0.09 C ATOM 1952 CG2 VAL A 465 0.147 4.901 5.986 1.00 0.08 C ATOM 0 H VAL A 465 3.278 3.957 6.918 1.00 0.06 H new ATOM 0 HA VAL A 465 2.982 5.569 4.458 1.00 0.05 H new ATOM 0 HB VAL A 465 0.903 5.118 4.060 1.00 0.07 H new ATOM 0 HG11 VAL A 465 0.289 2.760 4.390 1.00 0.09 H new ATOM 0 HG12 VAL A 465 1.977 2.954 3.861 1.00 0.09 H new ATOM 0 HG13 VAL A 465 1.614 2.593 5.566 1.00 0.09 H new ATOM 0 HG21 VAL A 465 -0.807 4.495 5.651 1.00 0.08 H new ATOM 0 HG22 VAL A 465 0.420 4.447 6.938 1.00 0.08 H new ATOM 0 HG23 VAL A 465 0.059 5.980 6.111 1.00 0.08 H new ATOM 1962 N PHE A 466 2.579 7.453 6.136 1.00 0.10 N ATOM 1963 CA PHE A 466 2.560 8.531 7.119 1.00 0.15 C ATOM 1964 C PHE A 466 2.732 9.891 6.455 1.00 0.21 C ATOM 1965 O PHE A 466 3.855 10.441 6.452 1.00 1.09 O ATOM 1966 CB PHE A 466 3.592 8.310 8.257 1.00 0.17 C ATOM 1967 CG PHE A 466 5.060 8.213 7.867 1.00 0.20 C ATOM 1968 CD1 PHE A 466 5.515 7.197 7.038 1.00 0.14 C ATOM 1969 CD2 PHE A 466 5.971 9.147 8.312 1.00 0.36 C ATOM 1970 CE1 PHE A 466 6.855 7.117 6.677 1.00 0.20 C ATOM 1971 CE2 PHE A 466 7.322 9.065 7.949 1.00 0.41 C ATOM 1972 CZ PHE A 466 7.756 8.014 7.159 1.00 0.30 C ATOM 1973 OXT PHE A 466 1.717 10.417 5.954 1.00 1.06 O ATOM 0 H PHE A 466 2.652 7.774 5.170 1.00 0.10 H new ATOM 0 HA PHE A 466 1.576 8.517 7.587 1.00 0.15 H new ATOM 0 HB2 PHE A 466 3.487 9.128 8.970 1.00 0.17 H new ATOM 0 HB3 PHE A 466 3.322 7.394 8.782 1.00 0.17 H new ATOM 0 HD1 PHE A 466 4.819 6.459 6.669 1.00 0.14 H new ATOM 0 HD2 PHE A 466 5.639 9.953 8.949 1.00 0.36 H new ATOM 0 HE1 PHE A 466 7.183 6.335 6.008 1.00 0.20 H new ATOM 0 HE2 PHE A 466 8.021 9.817 8.284 1.00 0.41 H new ATOM 0 HZ PHE A 466 8.805 7.907 6.927 1.00 0.30 H new