USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=30 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 -103:sc= -3.2! (180deg=-4.65!) USER MOD Set 1.2: A 450 MET CE :methyl -166:sc= -5.09! (180deg=-6.5!) USER MOD Set 2.1: A 421 HIS : no HE2:sc= -3.43! C(o=-7.2!,f=-5.4!) USER MOD Set 2.2: A 442 CYS SG : rot 159:sc= -0.459 USER MOD Set 2.3: A 444 ASN : amide:sc= -3.35! K(o=-7.2!,f=-3.5) USER MOD Set 3.1: A 370 SER OG : rot -50:sc= -2.83! USER MOD Set 3.2: A 377 THR OG1 : rot 92:sc= 1.31 USER MOD Set 4.1: A 356 TYR OH : rot 23:sc= -7.04! USER MOD Set 4.2: A 358 LYS NZ :NH3+ -171:sc= 1.2 (180deg=-0.0463) USER MOD Single : A 343 THR OG1 : rot 8:sc= 0.793 USER MOD Single : A 344 TYR OH : rot 94:sc= 0.476 USER MOD Single : A 351 ASN : amide:sc= -2.21! K(o=-2.2!,f=-1.4) USER MOD Single : A 352 GLN : amide:sc= -3.21! C(o=-3.2!,f=-5.6!) USER MOD Single : A 353 HIS : no HE2:sc= -7.45! C(o=-7.5!,f=-7.1!) USER MOD Single : A 354 MET CE :methyl -131:sc= -4.87! (180deg=-5.79!) USER MOD Single : A 357 TYR OH : rot 34:sc= 0.0492 USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 41:sc= -5.62! USER MOD Single : A 372 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 374 THR OG1 : rot 112:sc= -2.31! USER MOD Single : A 375 THR OG1 : rot 180:sc= -0.0113 USER MOD Single : A 383 TYR OH : rot -82:sc= 0.976 USER MOD Single : A 386 ASN : amide:sc= -1.94! K(o=-1.9!,f=-1.4) USER MOD Single : A 387 LYS NZ :NH3+ -126:sc= 1.51 (180deg=0.18) 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=-0.00147 USER MOD Single : A 408 ASN : amide:sc= -0.163 X(o=-0.16,f=0) USER MOD Single : A 409 TYR OH : rot 180:sc= 0 USER MOD Single : A 423 SER OG : rot 180:sc= 0 USER MOD Single : A 429 TYR OH : rot -121:sc= -3.99! USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot 180:sc= -1.42 USER MOD Single : A 439 SER OG : rot 180:sc= 0 USER MOD Single : A 440 HIS : no HD1:sc= -0.0389 X(o=-0.039,f=-0.16) USER MOD Single : A 445 THR OG1 : rot -137:sc= 0.823 USER MOD Single : A 448 SER OG : rot 180:sc= -0.202 USER MOD Single : A 451 LYS NZ :NH3+ -124:sc= 1.23 (180deg=-0.588) USER MOD Single : A 456 MET CE :methyl -108:sc= -20.5! (180deg=-29.3!) USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 THR OG1 : rot -140:sc= 0.0908 USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 342 18.207 0.895 6.203 1.00 0.24 N ATOM 61 CA ASP A 342 17.401 1.849 5.478 1.00 0.20 C ATOM 62 C ASP A 342 16.941 1.231 4.179 1.00 0.17 C ATOM 63 O ASP A 342 17.537 1.439 3.123 1.00 0.19 O ATOM 64 CB ASP A 342 18.165 3.140 5.187 1.00 0.22 C ATOM 65 CG ASP A 342 18.768 3.765 6.426 1.00 0.31 C ATOM 66 OD1 ASP A 342 18.046 4.481 7.152 1.00 0.39 O ATOM 67 OD2 ASP A 342 19.975 3.554 6.676 1.00 0.43 O1- ATOM 0 HA ASP A 342 16.544 2.105 6.102 1.00 0.20 H new ATOM 0 HB2 ASP A 342 18.959 2.932 4.469 1.00 0.22 H new ATOM 0 HB3 ASP A 342 17.491 3.856 4.717 1.00 0.22 H new ATOM 72 N THR A 343 15.865 0.478 4.286 1.00 0.13 N ATOM 73 CA THR A 343 15.119 -0.017 3.156 1.00 0.10 C ATOM 74 C THR A 343 13.718 -0.359 3.604 1.00 0.08 C ATOM 75 O THR A 343 13.542 -1.003 4.641 1.00 0.10 O ATOM 76 CB THR A 343 15.721 -1.263 2.508 1.00 0.11 C ATOM 77 OG1 THR A 343 17.018 -0.972 1.969 1.00 0.14 O ATOM 78 CG2 THR A 343 14.782 -1.731 1.412 1.00 0.08 C ATOM 0 H THR A 343 15.479 0.189 5.185 1.00 0.13 H new ATOM 0 HA THR A 343 15.138 0.777 2.410 1.00 0.10 H new ATOM 0 HB THR A 343 15.841 -2.049 3.254 1.00 0.11 H new ATOM 0 HG1 THR A 343 17.294 -0.074 2.248 1.00 0.14 H new ATOM 0 HG21 THR A 343 15.194 -2.621 0.936 1.00 0.08 H new ATOM 0 HG22 THR A 343 13.809 -1.967 1.843 1.00 0.08 H new ATOM 0 HG23 THR A 343 14.668 -0.942 0.669 1.00 0.08 H new ATOM 86 N TYR A 344 12.733 0.053 2.826 1.00 0.07 N ATOM 87 CA TYR A 344 11.344 -0.134 3.202 1.00 0.06 C ATOM 88 C TYR A 344 10.428 0.542 2.220 1.00 0.06 C ATOM 89 O TYR A 344 10.840 1.419 1.491 1.00 0.06 O ATOM 90 CB TYR A 344 11.096 0.481 4.566 1.00 0.08 C ATOM 91 CG TYR A 344 11.514 1.935 4.659 1.00 0.09 C ATOM 92 CD1 TYR A 344 12.815 2.256 4.997 1.00 0.12 C ATOM 93 CD2 TYR A 344 10.626 2.972 4.407 1.00 0.09 C ATOM 94 CE1 TYR A 344 13.228 3.569 5.087 1.00 0.13 C ATOM 95 CE2 TYR A 344 11.028 4.285 4.496 1.00 0.11 C ATOM 96 CZ TYR A 344 12.329 4.582 4.837 1.00 0.13 C ATOM 97 OH TYR A 344 12.731 5.896 4.915 1.00 0.15 O ATOM 0 H TYR A 344 12.870 0.520 1.929 1.00 0.07 H new ATOM 0 HA TYR A 344 11.143 -1.205 3.216 1.00 0.06 H new ATOM 0 HB2 TYR A 344 10.036 0.400 4.805 1.00 0.08 H new ATOM 0 HB3 TYR A 344 11.637 -0.093 5.318 1.00 0.08 H new ATOM 0 HD1 TYR A 344 13.522 1.464 5.194 1.00 0.12 H new ATOM 0 HD2 TYR A 344 9.605 2.745 4.137 1.00 0.09 H new ATOM 0 HE1 TYR A 344 14.249 3.801 5.352 1.00 0.13 H new ATOM 0 HE2 TYR A 344 10.325 5.081 4.299 1.00 0.11 H new ATOM 0 HH TYR A 344 12.997 6.210 4.026 1.00 0.15 H new ATOM 107 N ILE A 345 9.189 0.109 2.181 1.00 0.06 N ATOM 108 CA ILE A 345 8.162 0.889 1.540 1.00 0.06 C ATOM 109 C ILE A 345 7.759 2.001 2.448 1.00 0.07 C ATOM 110 O ILE A 345 7.838 1.875 3.662 1.00 0.08 O ATOM 111 CB ILE A 345 6.888 0.106 1.216 1.00 0.06 C ATOM 112 CG1 ILE A 345 7.170 -1.377 1.207 1.00 0.07 C ATOM 113 CG2 ILE A 345 6.381 0.529 -0.138 1.00 0.06 C ATOM 114 CD1 ILE A 345 8.235 -1.722 0.256 1.00 0.05 C ATOM 0 H ILE A 345 8.872 -0.773 2.583 1.00 0.06 H new ATOM 0 HA ILE A 345 8.597 1.232 0.601 1.00 0.06 H new ATOM 0 HB ILE A 345 6.137 0.315 1.978 1.00 0.06 H new ATOM 0 HG12 ILE A 345 7.458 -1.699 2.208 1.00 0.07 H new ATOM 0 HG13 ILE A 345 6.261 -1.919 0.947 1.00 0.07 H new ATOM 0 HG21 ILE A 345 5.473 -0.025 -0.376 1.00 0.06 H new ATOM 0 HG22 ILE A 345 6.162 1.597 -0.127 1.00 0.06 H new ATOM 0 HG23 ILE A 345 7.140 0.322 -0.892 1.00 0.06 H new ATOM 0 HD11 ILE A 345 8.409 -2.798 0.279 1.00 0.05 H new ATOM 0 HD12 ILE A 345 7.936 -1.424 -0.749 1.00 0.05 H new ATOM 0 HD13 ILE A 345 9.152 -1.201 0.531 1.00 0.05 H new ATOM 126 N GLU A 346 7.301 3.061 1.860 1.00 0.09 N ATOM 127 CA GLU A 346 6.938 4.228 2.614 1.00 0.12 C ATOM 128 C GLU A 346 5.825 4.966 1.908 1.00 0.17 C ATOM 129 O GLU A 346 5.755 4.957 0.698 1.00 0.21 O ATOM 130 CB GLU A 346 8.154 5.124 2.736 1.00 0.15 C ATOM 131 CG GLU A 346 7.890 6.312 3.614 1.00 0.13 C ATOM 132 CD GLU A 346 9.004 7.336 3.637 1.00 1.24 C ATOM 133 OE1 GLU A 346 9.977 7.139 4.389 1.00 2.01 O1- ATOM 134 OE2 GLU A 346 8.933 8.328 2.874 1.00 1.53 O ATOM 0 H GLU A 346 7.167 3.146 0.852 1.00 0.09 H new ATOM 0 HA GLU A 346 6.592 3.937 3.606 1.00 0.12 H new ATOM 0 HB2 GLU A 346 8.988 4.551 3.142 1.00 0.15 H new ATOM 0 HB3 GLU A 346 8.454 5.465 1.745 1.00 0.15 H new ATOM 0 HG2 GLU A 346 6.974 6.798 3.280 1.00 0.13 H new ATOM 0 HG3 GLU A 346 7.713 5.964 4.632 1.00 0.13 H new ATOM 141 N VAL A 347 4.908 5.536 2.658 1.00 0.17 N ATOM 142 CA VAL A 347 3.847 6.309 2.064 1.00 0.17 C ATOM 143 C VAL A 347 3.615 7.597 2.822 1.00 0.20 C ATOM 144 O VAL A 347 4.073 7.757 3.942 1.00 0.45 O ATOM 145 CB VAL A 347 2.519 5.546 2.013 1.00 0.15 C ATOM 146 CG1 VAL A 347 1.613 6.203 1.005 1.00 0.14 C ATOM 147 CG2 VAL A 347 2.721 4.077 1.682 1.00 0.15 C ATOM 0 H VAL A 347 4.878 5.478 3.676 1.00 0.17 H new ATOM 0 HA VAL A 347 4.175 6.520 1.046 1.00 0.17 H new ATOM 0 HB VAL A 347 2.059 5.584 3.000 1.00 0.15 H new ATOM 0 HG11 VAL A 347 0.666 5.666 0.963 1.00 0.14 H new ATOM 0 HG12 VAL A 347 1.431 7.237 1.299 1.00 0.14 H new ATOM 0 HG13 VAL A 347 2.086 6.183 0.023 1.00 0.14 H new ATOM 0 HG21 VAL A 347 1.755 3.574 1.656 1.00 0.15 H new ATOM 0 HG22 VAL A 347 3.204 3.986 0.709 1.00 0.15 H new ATOM 0 HG23 VAL A 347 3.350 3.616 2.443 1.00 0.15 H new ATOM 157 N ASP A 348 2.939 8.514 2.164 1.00 0.10 N ATOM 158 CA ASP A 348 2.496 9.753 2.746 1.00 0.09 C ATOM 159 C ASP A 348 1.102 10.026 2.211 1.00 0.08 C ATOM 160 O ASP A 348 0.919 10.340 1.052 1.00 0.10 O ATOM 161 CB ASP A 348 3.457 10.877 2.340 1.00 0.12 C ATOM 162 CG ASP A 348 3.222 12.158 3.107 1.00 0.16 C ATOM 163 OD1 ASP A 348 2.054 12.473 3.412 1.00 0.16 O1- ATOM 164 OD2 ASP A 348 4.208 12.879 3.388 1.00 0.24 O ATOM 0 H ASP A 348 2.678 8.411 1.183 1.00 0.10 H new ATOM 0 HA ASP A 348 2.479 9.698 3.834 1.00 0.09 H new ATOM 0 HB2 ASP A 348 4.483 10.546 2.501 1.00 0.12 H new ATOM 0 HB3 ASP A 348 3.349 11.073 1.273 1.00 0.12 H new ATOM 169 N LEU A 349 0.132 9.842 3.080 1.00 0.08 N ATOM 170 CA LEU A 349 -1.292 9.808 2.725 1.00 0.09 C ATOM 171 C LEU A 349 -1.827 11.188 2.621 1.00 0.12 C ATOM 172 O LEU A 349 -2.762 11.480 1.892 1.00 0.16 O ATOM 173 CB LEU A 349 -2.067 9.095 3.812 1.00 0.10 C ATOM 174 CG LEU A 349 -1.445 7.800 4.244 1.00 0.08 C ATOM 175 CD1 LEU A 349 -0.802 7.130 3.063 1.00 0.07 C ATOM 176 CD2 LEU A 349 -0.438 8.070 5.317 1.00 0.08 C ATOM 0 H LEU A 349 0.302 9.708 4.077 1.00 0.08 H new ATOM 0 HA LEU A 349 -1.396 9.291 1.771 1.00 0.09 H new ATOM 0 HB2 LEU A 349 -2.153 9.753 4.677 1.00 0.10 H new ATOM 0 HB3 LEU A 349 -3.079 8.901 3.457 1.00 0.10 H new ATOM 0 HG LEU A 349 -2.210 7.134 4.642 1.00 0.08 H new ATOM 0 HD11 LEU A 349 -0.351 6.190 3.379 1.00 0.07 H new ATOM 0 HD12 LEU A 349 -1.556 6.933 2.301 1.00 0.07 H new ATOM 0 HD13 LEU A 349 -0.032 7.781 2.650 1.00 0.07 H new ATOM 0 HD21 LEU A 349 0.017 7.131 5.634 1.00 0.08 H new ATOM 0 HD22 LEU A 349 0.335 8.735 4.932 1.00 0.08 H new ATOM 0 HD23 LEU A 349 -0.930 8.540 6.168 1.00 0.08 H new ATOM 188 N GLU A 350 -1.237 11.982 3.482 1.00 0.13 N ATOM 189 CA GLU A 350 -1.474 13.404 3.590 1.00 0.15 C ATOM 190 C GLU A 350 -1.191 14.024 2.267 1.00 0.14 C ATOM 191 O GLU A 350 -1.887 14.909 1.779 1.00 0.17 O ATOM 192 CB GLU A 350 -0.493 13.960 4.584 1.00 0.18 C ATOM 193 CG GLU A 350 -0.312 13.084 5.757 1.00 0.19 C ATOM 194 CD GLU A 350 -0.320 13.835 7.069 1.00 0.28 C ATOM 195 OE1 GLU A 350 0.724 14.404 7.441 1.00 0.57 O ATOM 196 OE2 GLU A 350 -1.373 13.855 7.741 1.00 0.60 O1- ATOM 0 H GLU A 350 -0.550 11.642 4.155 1.00 0.13 H new ATOM 0 HA GLU A 350 -2.500 13.605 3.898 1.00 0.15 H new ATOM 0 HB2 GLU A 350 0.470 14.108 4.094 1.00 0.18 H new ATOM 0 HB3 GLU A 350 -0.835 14.940 4.917 1.00 0.18 H new ATOM 0 HG2 GLU A 350 -1.105 12.336 5.769 1.00 0.19 H new ATOM 0 HG3 GLU A 350 0.631 12.547 5.659 1.00 0.19 H new ATOM 203 N ASN A 351 -0.076 13.559 1.762 1.00 0.12 N ATOM 204 CA ASN A 351 0.511 14.060 0.524 1.00 0.11 C ATOM 205 C ASN A 351 0.237 13.124 -0.631 1.00 0.09 C ATOM 206 O ASN A 351 0.734 13.304 -1.745 1.00 0.10 O ATOM 207 CB ASN A 351 2.010 14.232 0.727 1.00 0.13 C ATOM 208 CG ASN A 351 2.286 15.341 1.700 1.00 0.17 C ATOM 209 OD1 ASN A 351 2.548 16.485 1.318 1.00 0.20 O ATOM 210 ND2 ASN A 351 2.193 15.018 2.970 1.00 0.18 N ATOM 0 H ASN A 351 0.464 12.812 2.198 1.00 0.12 H new ATOM 0 HA ASN A 351 0.058 15.020 0.278 1.00 0.11 H new ATOM 0 HB2 ASN A 351 2.442 13.302 1.095 1.00 0.13 H new ATOM 0 HB3 ASN A 351 2.489 14.450 -0.227 1.00 0.13 H new ATOM 0 HD21 ASN A 351 2.340 15.727 3.689 1.00 0.18 H new ATOM 0 HD22 ASN A 351 1.974 14.058 3.237 1.00 0.18 H new ATOM 217 N GLN A 352 -0.573 12.121 -0.295 1.00 0.08 N ATOM 218 CA GLN A 352 -0.946 11.013 -1.165 1.00 0.08 C ATOM 219 C GLN A 352 0.174 10.584 -2.096 1.00 0.07 C ATOM 220 O GLN A 352 0.034 10.600 -3.317 1.00 0.08 O ATOM 221 CB GLN A 352 -2.222 11.293 -1.946 1.00 0.12 C ATOM 222 CG GLN A 352 -3.423 11.555 -1.063 1.00 0.21 C ATOM 223 CD GLN A 352 -3.592 13.023 -0.710 1.00 1.28 C ATOM 224 OE1 GLN A 352 -3.237 13.906 -1.485 1.00 2.15 O ATOM 225 NE2 GLN A 352 -4.114 13.291 0.473 1.00 1.89 N ATOM 0 H GLN A 352 -1.003 12.058 0.628 1.00 0.08 H new ATOM 0 HA GLN A 352 -1.142 10.176 -0.495 1.00 0.08 H new ATOM 0 HB2 GLN A 352 -2.061 12.155 -2.593 1.00 0.12 H new ATOM 0 HB3 GLN A 352 -2.436 10.443 -2.595 1.00 0.12 H new ATOM 0 HG2 GLN A 352 -4.322 11.203 -1.568 1.00 0.21 H new ATOM 0 HG3 GLN A 352 -3.325 10.975 -0.145 1.00 0.21 H new ATOM 0 HE21 GLN A 352 -4.397 12.530 1.090 1.00 1.89 H new ATOM 0 HE22 GLN A 352 -4.234 14.259 0.770 1.00 1.89 H new ATOM 234 N HIS A 353 1.265 10.144 -1.508 1.00 0.05 N ATOM 235 CA HIS A 353 2.409 9.700 -2.270 1.00 0.05 C ATOM 236 C HIS A 353 3.034 8.497 -1.602 1.00 0.06 C ATOM 237 O HIS A 353 3.189 8.457 -0.398 1.00 0.07 O ATOM 238 CB HIS A 353 3.423 10.832 -2.391 1.00 0.06 C ATOM 239 CG HIS A 353 4.489 10.552 -3.390 1.00 0.06 C ATOM 240 ND1 HIS A 353 4.451 10.954 -4.711 1.00 0.09 N ATOM 241 CD2 HIS A 353 5.607 9.839 -3.253 1.00 0.06 C ATOM 242 CE1 HIS A 353 5.516 10.475 -5.338 1.00 0.09 C ATOM 243 NE2 HIS A 353 6.236 9.801 -4.461 1.00 0.07 N ATOM 0 H HIS A 353 1.383 10.084 -0.497 1.00 0.05 H new ATOM 0 HA HIS A 353 2.087 9.414 -3.271 1.00 0.05 H new ATOM 0 HB2 HIS A 353 2.904 11.749 -2.669 1.00 0.06 H new ATOM 0 HB3 HIS A 353 3.882 11.007 -1.418 1.00 0.06 H new ATOM 0 HD1 HIS A 353 3.721 11.527 -5.135 1.00 0.09 H new ATOM 0 HD2 HIS A 353 5.954 9.373 -2.343 1.00 0.06 H new ATOM 0 HE1 HIS A 353 5.753 10.612 -6.383 1.00 0.09 H new ATOM 252 N MET A 354 3.354 7.505 -2.399 1.00 0.05 N ATOM 253 CA MET A 354 3.941 6.295 -1.907 1.00 0.06 C ATOM 254 C MET A 354 5.369 6.164 -2.413 1.00 0.05 C ATOM 255 O MET A 354 5.729 6.721 -3.445 1.00 0.06 O ATOM 256 CB MET A 354 3.132 5.093 -2.337 1.00 0.07 C ATOM 257 CG MET A 354 3.453 3.848 -1.544 1.00 0.07 C ATOM 258 SD MET A 354 3.733 2.409 -2.578 1.00 0.06 S ATOM 259 CE MET A 354 4.963 3.064 -3.697 1.00 0.05 C ATOM 0 H MET A 354 3.212 7.521 -3.409 1.00 0.05 H new ATOM 0 HA MET A 354 3.948 6.336 -0.818 1.00 0.06 H new ATOM 0 HB2 MET A 354 2.071 5.320 -2.232 1.00 0.07 H new ATOM 0 HB3 MET A 354 3.313 4.900 -3.394 1.00 0.07 H new ATOM 0 HG2 MET A 354 4.340 4.030 -0.936 1.00 0.07 H new ATOM 0 HG3 MET A 354 2.633 3.640 -0.857 1.00 0.07 H new ATOM 0 HE1 MET A 354 4.676 2.840 -4.724 1.00 0.05 H new ATOM 0 HE2 MET A 354 5.034 4.144 -3.567 1.00 0.05 H new ATOM 0 HE3 MET A 354 5.930 2.608 -3.483 1.00 0.05 H new ATOM 269 N TRP A 355 6.154 5.409 -1.690 1.00 0.05 N ATOM 270 CA TRP A 355 7.568 5.240 -1.953 1.00 0.07 C ATOM 271 C TRP A 355 8.000 3.826 -1.690 1.00 0.07 C ATOM 272 O TRP A 355 7.394 3.122 -0.896 1.00 0.11 O ATOM 273 CB TRP A 355 8.414 6.098 -1.013 1.00 0.08 C ATOM 274 CG TRP A 355 8.327 7.549 -1.232 1.00 0.07 C ATOM 275 CD1 TRP A 355 9.055 8.291 -2.078 1.00 0.06 C ATOM 276 CD2 TRP A 355 7.472 8.429 -0.548 1.00 0.07 C ATOM 277 NE1 TRP A 355 8.688 9.605 -1.992 1.00 0.05 N ATOM 278 CE2 TRP A 355 7.703 9.715 -1.029 1.00 0.06 C ATOM 279 CE3 TRP A 355 6.524 8.236 0.424 1.00 0.08 C ATOM 280 CZ2 TRP A 355 6.989 10.808 -0.535 1.00 0.07 C ATOM 281 CZ3 TRP A 355 5.839 9.283 0.900 1.00 0.09 C ATOM 282 CH2 TRP A 355 6.064 10.566 0.430 1.00 0.09 C ATOM 0 H TRP A 355 5.825 4.880 -0.882 1.00 0.05 H new ATOM 0 HA TRP A 355 7.713 5.523 -2.996 1.00 0.07 H new ATOM 0 HB2 TRP A 355 8.116 5.884 0.013 1.00 0.08 H new ATOM 0 HB3 TRP A 355 9.456 5.795 -1.112 1.00 0.08 H new ATOM 0 HD1 TRP A 355 9.822 7.906 -2.734 1.00 0.06 H new ATOM 0 HE1 TRP A 355 9.074 10.371 -2.543 1.00 0.05 H new ATOM 0 HE3 TRP A 355 6.331 7.244 0.804 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 7.165 11.807 -0.906 1.00 0.07 H new ATOM 0 HZ3 TRP A 355 5.095 9.124 1.667 1.00 0.09 H new ATOM 0 HH2 TRP A 355 5.494 11.388 0.838 1.00 0.09 H new ATOM 293 N TYR A 356 9.054 3.428 -2.346 1.00 0.04 N ATOM 294 CA TYR A 356 9.920 2.423 -1.806 1.00 0.04 C ATOM 295 C TYR A 356 11.183 3.107 -1.442 1.00 0.04 C ATOM 296 O TYR A 356 11.560 4.087 -2.052 1.00 0.05 O ATOM 297 CB TYR A 356 10.264 1.360 -2.781 1.00 0.03 C ATOM 298 CG TYR A 356 11.154 0.275 -2.188 1.00 0.03 C ATOM 299 CD1 TYR A 356 10.645 -0.723 -1.380 1.00 0.05 C ATOM 300 CD2 TYR A 356 12.510 0.291 -2.399 1.00 0.05 C ATOM 301 CE1 TYR A 356 11.469 -1.659 -0.789 1.00 0.11 C ATOM 302 CE2 TYR A 356 13.330 -0.637 -1.831 1.00 0.10 C ATOM 303 CZ TYR A 356 12.719 -1.783 -1.203 1.00 0.05 C ATOM 304 OH TYR A 356 13.656 -2.497 -0.407 1.00 0.26 O ATOM 0 H TYR A 356 9.333 3.787 -3.259 1.00 0.04 H new ATOM 0 HA TYR A 356 9.410 1.949 -0.968 1.00 0.04 H new ATOM 0 HB2 TYR A 356 9.346 0.906 -3.154 1.00 0.03 H new ATOM 0 HB3 TYR A 356 10.768 1.809 -3.637 1.00 0.03 H new ATOM 0 HD1 TYR A 356 9.580 -0.772 -1.207 1.00 0.05 H new ATOM 0 HD2 TYR A 356 12.937 1.057 -3.030 1.00 0.05 H new ATOM 0 HE1 TYR A 356 11.095 -2.286 0.007 1.00 0.11 H new ATOM 0 HE2 TYR A 356 14.403 -0.518 -1.850 1.00 0.10 H new ATOM 0 HH TYR A 356 13.179 -3.118 0.182 1.00 0.26 H new ATOM 314 N TYR A 357 11.839 2.557 -0.506 1.00 0.05 N ATOM 315 CA TYR A 357 13.070 3.112 -0.017 1.00 0.06 C ATOM 316 C TYR A 357 14.143 2.070 -0.013 1.00 0.06 C ATOM 317 O TYR A 357 14.037 1.057 0.661 1.00 0.07 O ATOM 318 CB TYR A 357 12.925 3.676 1.387 1.00 0.07 C ATOM 319 CG TYR A 357 12.582 5.139 1.440 1.00 0.07 C ATOM 320 CD1 TYR A 357 11.281 5.584 1.246 1.00 0.08 C ATOM 321 CD2 TYR A 357 13.572 6.076 1.690 1.00 0.10 C ATOM 322 CE1 TYR A 357 10.976 6.933 1.301 1.00 0.10 C ATOM 323 CE2 TYR A 357 13.281 7.418 1.746 1.00 0.11 C ATOM 324 CZ TYR A 357 11.982 7.846 1.551 1.00 0.11 C ATOM 325 OH TYR A 357 11.687 9.188 1.610 1.00 0.14 O ATOM 0 H TYR A 357 11.550 1.698 -0.038 1.00 0.05 H new ATOM 0 HA TYR A 357 13.339 3.928 -0.688 1.00 0.06 H new ATOM 0 HB2 TYR A 357 12.151 3.115 1.912 1.00 0.07 H new ATOM 0 HB3 TYR A 357 13.858 3.515 1.928 1.00 0.07 H new ATOM 0 HD1 TYR A 357 10.497 4.868 1.050 1.00 0.08 H new ATOM 0 HD2 TYR A 357 14.589 5.746 1.843 1.00 0.10 H new ATOM 0 HE1 TYR A 357 9.961 7.269 1.150 1.00 0.10 H new ATOM 0 HE2 TYR A 357 14.065 8.135 1.942 1.00 0.11 H new ATOM 0 HH TYR A 357 10.789 9.309 1.982 1.00 0.14 H new ATOM 335 N LYS A 358 15.152 2.319 -0.789 1.00 0.07 N ATOM 336 CA LYS A 358 16.368 1.563 -0.724 1.00 0.09 C ATOM 337 C LYS A 358 17.444 2.543 -0.348 1.00 0.13 C ATOM 338 O LYS A 358 17.455 3.647 -0.829 1.00 0.25 O ATOM 339 CB LYS A 358 16.704 0.920 -2.054 1.00 0.11 C ATOM 340 CG LYS A 358 17.692 -0.196 -1.915 1.00 0.12 C ATOM 341 CD LYS A 358 17.030 -1.328 -1.239 1.00 0.09 C ATOM 342 CE LYS A 358 16.484 -2.263 -2.259 1.00 0.09 C ATOM 343 NZ LYS A 358 15.958 -3.518 -1.656 1.00 0.10 N1+ ATOM 0 H LYS A 358 15.157 3.058 -1.492 1.00 0.07 H new ATOM 0 HA LYS A 358 16.272 0.753 -0.001 1.00 0.09 H new ATOM 0 HB2 LYS A 358 15.791 0.538 -2.511 1.00 0.11 H new ATOM 0 HB3 LYS A 358 17.106 1.676 -2.729 1.00 0.11 H new ATOM 0 HG2 LYS A 358 18.058 -0.502 -2.895 1.00 0.12 H new ATOM 0 HG3 LYS A 358 18.558 0.134 -1.341 1.00 0.12 H new ATOM 0 HD2 LYS A 358 17.741 -1.848 -0.597 1.00 0.09 H new ATOM 0 HD3 LYS A 358 16.228 -0.964 -0.597 1.00 0.09 H new ATOM 0 HE2 LYS A 358 15.686 -1.767 -2.812 1.00 0.09 H new ATOM 0 HE3 LYS A 358 17.266 -2.509 -2.978 1.00 0.09 H new ATOM 0 HZ1 LYS A 358 15.730 -4.197 -2.410 1.00 0.10 H new ATOM 0 HZ2 LYS A 358 16.677 -3.928 -1.026 1.00 0.10 H new ATOM 0 HZ3 LYS A 358 15.099 -3.307 -1.109 1.00 0.10 H new ATOM 357 N ASP A 359 18.327 2.134 0.533 1.00 0.13 N ATOM 358 CA ASP A 359 19.517 2.917 0.875 1.00 0.16 C ATOM 359 C ASP A 359 19.197 4.181 1.640 1.00 0.16 C ATOM 360 O ASP A 359 20.038 5.072 1.760 1.00 0.28 O ATOM 361 CB ASP A 359 20.305 3.304 -0.358 1.00 0.19 C ATOM 362 CG ASP A 359 21.763 2.899 -0.277 1.00 0.28 C ATOM 363 OD1 ASP A 359 22.088 1.767 -0.689 1.00 0.43 O ATOM 364 OD2 ASP A 359 22.588 3.707 0.198 1.00 0.39 O1- ATOM 0 H ASP A 359 18.251 1.251 1.039 1.00 0.13 H new ATOM 0 HA ASP A 359 20.109 2.261 1.513 1.00 0.16 H new ATOM 0 HB2 ASP A 359 19.852 2.839 -1.233 1.00 0.19 H new ATOM 0 HB3 ASP A 359 20.240 4.383 -0.501 1.00 0.19 H new ATOM 369 N GLY A 360 17.996 4.231 2.196 1.00 0.15 N ATOM 370 CA GLY A 360 17.533 5.440 2.853 1.00 0.15 C ATOM 371 C GLY A 360 17.071 6.480 1.895 1.00 0.14 C ATOM 372 O GLY A 360 16.714 7.596 2.271 1.00 0.18 O ATOM 0 H GLY A 360 17.332 3.457 2.205 1.00 0.15 H new ATOM 0 HA2 GLY A 360 16.717 5.189 3.530 1.00 0.15 H new ATOM 0 HA3 GLY A 360 18.339 5.848 3.463 1.00 0.15 H new ATOM 376 N LYS A 361 17.039 6.078 0.669 1.00 0.13 N ATOM 377 CA LYS A 361 16.610 6.899 -0.418 1.00 0.13 C ATOM 378 C LYS A 361 15.562 6.077 -1.120 1.00 0.09 C ATOM 379 O LYS A 361 15.273 4.975 -0.678 1.00 0.12 O ATOM 380 CB LYS A 361 17.821 7.152 -1.287 1.00 0.16 C ATOM 381 CG LYS A 361 18.269 5.920 -2.033 1.00 0.17 C ATOM 382 CD LYS A 361 19.262 6.231 -3.103 1.00 0.23 C ATOM 383 CE LYS A 361 18.639 7.124 -4.150 1.00 0.26 C ATOM 384 NZ LYS A 361 19.381 7.086 -5.436 1.00 0.37 N1+ ATOM 0 H LYS A 361 17.319 5.139 0.385 1.00 0.13 H new ATOM 0 HA LYS A 361 16.198 7.867 -0.134 1.00 0.13 H new ATOM 0 HB2 LYS A 361 17.591 7.942 -2.002 1.00 0.16 H new ATOM 0 HB3 LYS A 361 18.640 7.513 -0.665 1.00 0.16 H new ATOM 0 HG2 LYS A 361 18.707 5.212 -1.329 1.00 0.17 H new ATOM 0 HG3 LYS A 361 17.401 5.432 -2.477 1.00 0.17 H new ATOM 0 HD2 LYS A 361 20.134 6.721 -2.669 1.00 0.23 H new ATOM 0 HD3 LYS A 361 19.612 5.307 -3.564 1.00 0.23 H new ATOM 0 HE2 LYS A 361 17.607 6.817 -4.319 1.00 0.26 H new ATOM 0 HE3 LYS A 361 18.610 8.149 -3.780 1.00 0.26 H new ATOM 0 HZ1 LYS A 361 18.917 7.714 -6.123 1.00 0.37 H new ATOM 0 HZ2 LYS A 361 20.359 7.404 -5.282 1.00 0.37 H new ATOM 0 HZ3 LYS A 361 19.387 6.114 -5.805 1.00 0.37 H new ATOM 398 N VAL A 362 14.940 6.570 -2.153 1.00 0.09 N ATOM 399 CA VAL A 362 13.896 5.773 -2.736 1.00 0.07 C ATOM 400 C VAL A 362 14.221 5.105 -4.015 1.00 0.07 C ATOM 401 O VAL A 362 15.075 5.521 -4.799 1.00 0.10 O ATOM 402 CB VAL A 362 12.586 6.492 -2.909 1.00 0.07 C ATOM 403 CG1 VAL A 362 12.171 7.054 -1.603 1.00 0.07 C ATOM 404 CG2 VAL A 362 12.638 7.546 -3.949 1.00 0.09 C ATOM 0 H VAL A 362 15.122 7.473 -2.592 1.00 0.09 H new ATOM 0 HA VAL A 362 13.796 5.001 -1.973 1.00 0.07 H new ATOM 0 HB VAL A 362 11.848 5.769 -3.257 1.00 0.07 H new ATOM 0 HG11 VAL A 362 11.222 7.578 -1.717 1.00 0.07 H new ATOM 0 HG12 VAL A 362 12.055 6.247 -0.880 1.00 0.07 H new ATOM 0 HG13 VAL A 362 12.930 7.752 -1.249 1.00 0.07 H new ATOM 0 HG21 VAL A 362 11.664 8.028 -4.027 1.00 0.09 H new ATOM 0 HG22 VAL A 362 13.389 8.288 -3.678 1.00 0.09 H new ATOM 0 HG23 VAL A 362 12.899 7.098 -4.908 1.00 0.09 H new ATOM 414 N ALA A 363 13.438 4.072 -4.204 1.00 0.05 N ATOM 415 CA ALA A 363 13.508 3.238 -5.335 1.00 0.05 C ATOM 416 C ALA A 363 12.300 3.541 -6.151 1.00 0.05 C ATOM 417 O ALA A 363 12.266 3.412 -7.372 1.00 0.07 O ATOM 418 CB ALA A 363 13.492 1.791 -4.893 1.00 0.05 C ATOM 0 H ALA A 363 12.715 3.795 -3.540 1.00 0.05 H new ATOM 0 HA ALA A 363 14.420 3.405 -5.908 1.00 0.05 H new ATOM 0 HB1 ALA A 363 13.546 1.143 -5.768 1.00 0.05 H new ATOM 0 HB2 ALA A 363 14.347 1.599 -4.245 1.00 0.05 H new ATOM 0 HB3 ALA A 363 12.571 1.587 -4.347 1.00 0.05 H new ATOM 424 N LEU A 364 11.309 3.970 -5.409 1.00 0.04 N ATOM 425 CA LEU A 364 10.015 4.247 -5.926 1.00 0.04 C ATOM 426 C LEU A 364 9.487 5.538 -5.431 1.00 0.05 C ATOM 427 O LEU A 364 9.701 5.938 -4.289 1.00 0.06 O ATOM 428 CB LEU A 364 9.096 3.143 -5.498 1.00 0.04 C ATOM 429 CG LEU A 364 8.426 2.441 -6.628 1.00 0.05 C ATOM 430 CD1 LEU A 364 9.455 2.090 -7.656 1.00 0.05 C ATOM 431 CD2 LEU A 364 7.773 1.209 -6.120 1.00 0.05 C ATOM 0 H LEU A 364 11.394 4.136 -4.406 1.00 0.04 H new ATOM 0 HA LEU A 364 10.080 4.312 -7.012 1.00 0.04 H new ATOM 0 HB2 LEU A 364 9.664 2.416 -4.917 1.00 0.04 H new ATOM 0 HB3 LEU A 364 8.334 3.554 -4.836 1.00 0.04 H new ATOM 0 HG LEU A 364 7.670 3.085 -7.077 1.00 0.05 H new ATOM 0 HD11 LEU A 364 8.976 1.575 -8.489 1.00 0.05 H new ATOM 0 HD12 LEU A 364 9.933 3.000 -8.018 1.00 0.05 H new ATOM 0 HD13 LEU A 364 10.207 1.438 -7.211 1.00 0.05 H new ATOM 0 HD21 LEU A 364 7.281 0.692 -6.944 1.00 0.05 H new ATOM 0 HD22 LEU A 364 8.524 0.555 -5.678 1.00 0.05 H new ATOM 0 HD23 LEU A 364 7.033 1.474 -5.365 1.00 0.05 H new ATOM 443 N GLU A 365 8.767 6.152 -6.310 1.00 0.05 N ATOM 444 CA GLU A 365 8.100 7.361 -6.034 1.00 0.06 C ATOM 445 C GLU A 365 6.806 7.240 -6.740 1.00 0.05 C ATOM 446 O GLU A 365 6.779 7.120 -7.963 1.00 0.07 O ATOM 447 CB GLU A 365 8.897 8.495 -6.622 1.00 0.10 C ATOM 448 CG GLU A 365 8.997 9.725 -5.744 1.00 0.16 C ATOM 449 CD GLU A 365 10.008 10.728 -6.256 1.00 0.27 C ATOM 450 OE1 GLU A 365 10.280 10.735 -7.475 1.00 0.45 O1- ATOM 451 OE2 GLU A 365 10.527 11.519 -5.441 1.00 0.48 O ATOM 0 H GLU A 365 8.629 5.811 -7.261 1.00 0.05 H new ATOM 0 HA GLU A 365 7.972 7.549 -4.968 1.00 0.06 H new ATOM 0 HB2 GLU A 365 9.904 8.138 -6.839 1.00 0.10 H new ATOM 0 HB3 GLU A 365 8.448 8.781 -7.573 1.00 0.10 H new ATOM 0 HG2 GLU A 365 8.019 10.202 -5.681 1.00 0.16 H new ATOM 0 HG3 GLU A 365 9.271 9.423 -4.733 1.00 0.16 H new ATOM 458 N THR A 366 5.737 7.267 -6.023 1.00 0.05 N ATOM 459 CA THR A 366 4.507 7.170 -6.681 1.00 0.06 C ATOM 460 C THR A 366 3.429 7.883 -5.935 1.00 0.06 C ATOM 461 O THR A 366 3.578 8.241 -4.789 1.00 0.07 O ATOM 462 CB THR A 366 4.160 5.695 -6.890 1.00 0.06 C ATOM 463 OG1 THR A 366 3.592 5.496 -8.166 1.00 0.07 O ATOM 464 CG2 THR A 366 3.189 5.224 -5.846 1.00 0.07 C ATOM 0 H THR A 366 5.700 7.353 -5.007 1.00 0.05 H new ATOM 0 HA THR A 366 4.588 7.656 -7.653 1.00 0.06 H new ATOM 0 HB THR A 366 5.084 5.123 -6.809 1.00 0.06 H new ATOM 0 HG1 THR A 366 4.075 6.035 -8.827 1.00 0.07 H new ATOM 0 HG21 THR A 366 2.956 4.172 -6.014 1.00 0.07 H new ATOM 0 HG22 THR A 366 3.631 5.344 -4.857 1.00 0.07 H new ATOM 0 HG23 THR A 366 2.274 5.813 -5.908 1.00 0.07 H new ATOM 472 N ASP A 367 2.357 8.089 -6.605 1.00 0.07 N ATOM 473 CA ASP A 367 1.243 8.758 -6.056 1.00 0.09 C ATOM 474 C ASP A 367 0.152 7.759 -5.720 1.00 0.09 C ATOM 475 O ASP A 367 -0.104 6.834 -6.475 1.00 0.11 O ATOM 476 CB ASP A 367 0.828 9.802 -7.071 1.00 0.13 C ATOM 477 CG ASP A 367 0.573 9.288 -8.487 1.00 0.98 C ATOM 478 OD1 ASP A 367 0.903 8.125 -8.800 1.00 1.80 O1- ATOM 479 OD2 ASP A 367 0.078 10.082 -9.318 1.00 1.65 O ATOM 0 H ASP A 367 2.229 7.790 -7.572 1.00 0.07 H new ATOM 0 HA ASP A 367 1.472 9.256 -5.114 1.00 0.09 H new ATOM 0 HB2 ASP A 367 -0.079 10.289 -6.713 1.00 0.13 H new ATOM 0 HB3 ASP A 367 1.604 10.566 -7.116 1.00 0.13 H new ATOM 484 N ILE A 368 -0.420 7.897 -4.531 1.00 0.09 N ATOM 485 CA ILE A 368 -1.368 6.920 -4.026 1.00 0.08 C ATOM 486 C ILE A 368 -2.598 7.557 -3.474 1.00 0.07 C ATOM 487 O ILE A 368 -2.810 8.761 -3.556 1.00 0.08 O ATOM 488 CB ILE A 368 -0.769 6.077 -2.904 1.00 0.09 C ATOM 489 CG1 ILE A 368 0.017 6.941 -1.957 1.00 0.08 C ATOM 490 CG2 ILE A 368 0.090 4.996 -3.480 1.00 0.12 C ATOM 491 CD1 ILE A 368 -0.814 7.597 -0.872 1.00 0.08 C ATOM 0 H ILE A 368 -0.242 8.678 -3.900 1.00 0.09 H new ATOM 0 HA ILE A 368 -1.618 6.299 -4.886 1.00 0.08 H new ATOM 0 HB ILE A 368 -1.578 5.612 -2.340 1.00 0.09 H new ATOM 0 HG12 ILE A 368 0.791 6.334 -1.488 1.00 0.08 H new ATOM 0 HG13 ILE A 368 0.524 7.718 -2.529 1.00 0.08 H new ATOM 0 HG21 ILE A 368 0.514 4.399 -2.673 1.00 0.12 H new ATOM 0 HG22 ILE A 368 -0.513 4.357 -4.126 1.00 0.12 H new ATOM 0 HG23 ILE A 368 0.896 5.443 -4.062 1.00 0.12 H new ATOM 0 HD11 ILE A 368 -0.168 8.201 -0.234 1.00 0.08 H new ATOM 0 HD12 ILE A 368 -1.571 8.234 -1.329 1.00 0.08 H new ATOM 0 HD13 ILE A 368 -1.300 6.828 -0.271 1.00 0.08 H new ATOM 503 N VAL A 369 -3.383 6.709 -2.879 1.00 0.07 N ATOM 504 CA VAL A 369 -4.539 7.109 -2.138 1.00 0.08 C ATOM 505 C VAL A 369 -4.794 6.071 -1.060 1.00 0.09 C ATOM 506 O VAL A 369 -4.926 4.879 -1.332 1.00 0.10 O ATOM 507 CB VAL A 369 -5.787 7.358 -3.042 1.00 0.08 C ATOM 508 CG1 VAL A 369 -5.521 7.009 -4.511 1.00 0.10 C ATOM 509 CG2 VAL A 369 -7.013 6.618 -2.524 1.00 0.09 C ATOM 0 H VAL A 369 -3.234 5.700 -2.896 1.00 0.07 H new ATOM 0 HA VAL A 369 -4.348 8.076 -1.672 1.00 0.08 H new ATOM 0 HB VAL A 369 -5.993 8.427 -2.994 1.00 0.08 H new ATOM 0 HG11 VAL A 369 -6.419 7.199 -5.099 1.00 0.10 H new ATOM 0 HG12 VAL A 369 -4.703 7.623 -4.889 1.00 0.10 H new ATOM 0 HG13 VAL A 369 -5.251 5.956 -4.592 1.00 0.10 H new ATOM 0 HG21 VAL A 369 -7.861 6.816 -3.179 1.00 0.09 H new ATOM 0 HG22 VAL A 369 -6.811 5.547 -2.506 1.00 0.09 H new ATOM 0 HG23 VAL A 369 -7.246 6.961 -1.516 1.00 0.09 H new ATOM 519 N SER A 370 -4.743 6.546 0.164 1.00 0.09 N ATOM 520 CA SER A 370 -4.946 5.718 1.345 1.00 0.08 C ATOM 521 C SER A 370 -6.432 5.436 1.564 1.00 0.08 C ATOM 522 O SER A 370 -7.240 5.693 0.672 1.00 0.10 O ATOM 523 CB SER A 370 -4.279 6.321 2.587 1.00 0.13 C ATOM 524 OG SER A 370 -3.523 5.344 3.248 1.00 1.26 O ATOM 0 H SER A 370 -4.558 7.526 0.376 1.00 0.09 H new ATOM 0 HA SER A 370 -4.456 4.760 1.169 1.00 0.08 H new ATOM 0 HB2 SER A 370 -3.638 7.154 2.297 1.00 0.13 H new ATOM 0 HB3 SER A 370 -5.038 6.721 3.259 1.00 0.13 H new ATOM 0 HG SER A 370 -4.070 4.542 3.382 1.00 1.26 H new ATOM 530 N GLY A 371 -6.806 4.882 2.702 1.00 0.09 N ATOM 531 CA GLY A 371 -8.190 4.497 2.873 1.00 0.12 C ATOM 532 C GLY A 371 -9.051 5.654 3.342 1.00 0.12 C ATOM 533 O GLY A 371 -8.542 6.729 3.673 1.00 0.14 O ATOM 0 H GLY A 371 -6.194 4.694 3.496 1.00 0.09 H new ATOM 0 HA2 GLY A 371 -8.579 4.116 1.929 1.00 0.12 H new ATOM 0 HA3 GLY A 371 -8.253 3.683 3.595 1.00 0.12 H new ATOM 537 N LYS A 372 -10.359 5.439 3.339 1.00 0.16 N ATOM 538 CA LYS A 372 -11.321 6.523 3.439 1.00 0.16 C ATOM 539 C LYS A 372 -11.458 7.056 4.869 1.00 0.18 C ATOM 540 O LYS A 372 -11.145 6.376 5.837 1.00 0.21 O ATOM 541 CB LYS A 372 -12.653 6.021 2.903 1.00 0.19 C ATOM 542 CG LYS A 372 -13.526 5.333 3.922 1.00 0.27 C ATOM 543 CD LYS A 372 -14.624 4.588 3.225 1.00 0.47 C ATOM 544 CE LYS A 372 -14.086 3.357 2.542 1.00 0.81 C ATOM 545 NZ LYS A 372 -15.128 2.644 1.756 1.00 0.79 N1+ ATOM 0 H LYS A 372 -10.780 4.513 3.267 1.00 0.16 H new ATOM 0 HA LYS A 372 -10.970 7.367 2.846 1.00 0.16 H new ATOM 0 HB2 LYS A 372 -13.202 6.865 2.486 1.00 0.19 H new ATOM 0 HB3 LYS A 372 -12.461 5.329 2.083 1.00 0.19 H new ATOM 0 HG2 LYS A 372 -12.930 4.645 4.521 1.00 0.27 H new ATOM 0 HG3 LYS A 372 -13.950 6.067 4.607 1.00 0.27 H new ATOM 0 HD2 LYS A 372 -15.391 4.304 3.945 1.00 0.47 H new ATOM 0 HD3 LYS A 372 -15.101 5.237 2.491 1.00 0.47 H new ATOM 0 HE2 LYS A 372 -13.267 3.640 1.881 1.00 0.81 H new ATOM 0 HE3 LYS A 372 -13.673 2.681 3.290 1.00 0.81 H new ATOM 0 HZ1 LYS A 372 -14.710 1.805 1.305 1.00 0.79 H new ATOM 0 HZ2 LYS A 372 -15.899 2.349 2.389 1.00 0.79 H new ATOM 0 HZ3 LYS A 372 -15.505 3.279 1.023 1.00 0.79 H new ATOM 559 N PRO A 373 -11.938 8.316 4.976 1.00 0.19 N ATOM 560 CA PRO A 373 -12.032 9.100 6.223 1.00 0.21 C ATOM 561 C PRO A 373 -12.752 8.391 7.326 1.00 0.24 C ATOM 562 O PRO A 373 -12.547 8.654 8.507 1.00 0.28 O ATOM 563 CB PRO A 373 -12.907 10.260 5.807 1.00 0.23 C ATOM 564 CG PRO A 373 -12.564 10.473 4.401 1.00 0.21 C ATOM 565 CD PRO A 373 -12.446 9.094 3.841 1.00 0.19 C ATOM 0 HA PRO A 373 -11.039 9.337 6.604 1.00 0.21 H new ATOM 0 HB2 PRO A 373 -13.965 10.027 5.929 1.00 0.23 H new ATOM 0 HB3 PRO A 373 -12.705 11.148 6.406 1.00 0.23 H new ATOM 0 HG2 PRO A 373 -13.334 11.048 3.886 1.00 0.21 H new ATOM 0 HG3 PRO A 373 -11.630 11.026 4.298 1.00 0.21 H new ATOM 0 HD2 PRO A 373 -13.407 8.717 3.492 1.00 0.19 H new ATOM 0 HD3 PRO A 373 -11.763 9.061 2.992 1.00 0.19 H new ATOM 573 N THR A 374 -13.667 7.558 6.899 1.00 0.25 N ATOM 574 CA THR A 374 -14.530 6.833 7.803 1.00 0.28 C ATOM 575 C THR A 374 -13.706 5.847 8.605 1.00 0.30 C ATOM 576 O THR A 374 -13.990 5.547 9.764 1.00 0.33 O ATOM 577 CB THR A 374 -15.618 6.061 7.035 1.00 0.29 C ATOM 578 OG1 THR A 374 -15.058 4.919 6.385 1.00 0.29 O ATOM 579 CG2 THR A 374 -16.255 6.952 5.998 1.00 0.29 C ATOM 0 H THR A 374 -13.837 7.361 5.913 1.00 0.25 H new ATOM 0 HA THR A 374 -15.012 7.554 8.463 1.00 0.28 H new ATOM 0 HB THR A 374 -16.372 5.735 7.752 1.00 0.29 H new ATOM 0 HG1 THR A 374 -15.397 4.103 6.809 1.00 0.29 H new ATOM 0 HG21 THR A 374 -17.023 6.395 5.461 1.00 0.29 H new ATOM 0 HG22 THR A 374 -16.708 7.814 6.488 1.00 0.29 H new ATOM 0 HG23 THR A 374 -15.495 7.292 5.294 1.00 0.29 H new ATOM 587 N THR A 375 -12.687 5.349 7.937 1.00 0.28 N ATOM 588 CA THR A 375 -11.769 4.386 8.495 1.00 0.31 C ATOM 589 C THR A 375 -10.369 4.669 7.990 1.00 0.29 C ATOM 590 O THR A 375 -9.787 3.961 7.165 1.00 0.29 O ATOM 591 CB THR A 375 -12.223 2.977 8.183 1.00 0.34 C ATOM 592 OG1 THR A 375 -11.208 2.020 8.524 1.00 0.39 O ATOM 593 CG2 THR A 375 -12.615 2.876 6.715 1.00 0.31 C ATOM 0 H THR A 375 -12.472 5.608 6.974 1.00 0.28 H new ATOM 0 HA THR A 375 -11.755 4.476 9.581 1.00 0.31 H new ATOM 0 HB THR A 375 -13.098 2.745 8.790 1.00 0.34 H new ATOM 0 HG1 THR A 375 -11.526 1.117 8.314 1.00 0.39 H new ATOM 0 HG21 THR A 375 -12.941 1.860 6.495 1.00 0.31 H new ATOM 0 HG22 THR A 375 -13.428 3.571 6.507 1.00 0.31 H new ATOM 0 HG23 THR A 375 -11.756 3.125 6.091 1.00 0.31 H new ATOM 601 N PRO A 376 -9.857 5.751 8.508 1.00 0.28 N ATOM 602 CA PRO A 376 -8.607 6.365 8.121 1.00 0.26 C ATOM 603 C PRO A 376 -7.435 5.439 8.235 1.00 0.26 C ATOM 604 O PRO A 376 -7.390 4.582 9.121 1.00 0.38 O ATOM 605 CB PRO A 376 -8.499 7.514 9.113 1.00 0.29 C ATOM 606 CG PRO A 376 -9.891 7.822 9.407 1.00 0.32 C ATOM 607 CD PRO A 376 -10.501 6.487 9.566 1.00 0.32 C ATOM 0 HA PRO A 376 -8.595 6.668 7.074 1.00 0.26 H new ATOM 0 HB2 PRO A 376 -7.951 7.223 10.010 1.00 0.29 H new ATOM 0 HB3 PRO A 376 -7.978 8.370 8.685 1.00 0.29 H new ATOM 0 HG2 PRO A 376 -9.989 8.421 10.312 1.00 0.32 H new ATOM 0 HG3 PRO A 376 -10.359 8.386 8.600 1.00 0.32 H new ATOM 0 HD2 PRO A 376 -10.299 6.057 10.547 1.00 0.32 H new ATOM 0 HD3 PRO A 376 -11.584 6.514 9.447 1.00 0.32 H new ATOM 615 N THR A 377 -6.490 5.595 7.345 1.00 0.17 N ATOM 616 CA THR A 377 -5.306 4.812 7.439 1.00 0.21 C ATOM 617 C THR A 377 -4.439 5.382 8.573 1.00 0.17 C ATOM 618 O THR A 377 -4.437 6.588 8.829 1.00 0.21 O ATOM 619 CB THR A 377 -4.562 4.740 6.082 1.00 0.33 C ATOM 620 OG1 THR A 377 -4.301 3.372 5.745 1.00 0.82 O ATOM 621 CG2 THR A 377 -3.253 5.500 6.103 1.00 0.22 C ATOM 0 H THR A 377 -6.523 6.248 6.562 1.00 0.17 H new ATOM 0 HA THR A 377 -5.556 3.779 7.680 1.00 0.21 H new ATOM 0 HB THR A 377 -5.208 5.203 5.336 1.00 0.33 H new ATOM 0 HG1 THR A 377 -5.035 3.025 5.196 1.00 0.82 H new ATOM 0 HG21 THR A 377 -2.770 5.419 5.129 1.00 0.22 H new ATOM 0 HG22 THR A 377 -3.445 6.549 6.327 1.00 0.22 H new ATOM 0 HG23 THR A 377 -2.600 5.079 6.868 1.00 0.22 H new ATOM 629 N PRO A 378 -3.735 4.501 9.288 1.00 0.14 N ATOM 630 CA PRO A 378 -3.079 4.800 10.568 1.00 0.15 C ATOM 631 C PRO A 378 -1.819 5.609 10.376 1.00 0.13 C ATOM 632 O PRO A 378 -1.566 6.578 11.088 1.00 0.16 O ATOM 633 CB PRO A 378 -2.710 3.392 11.076 1.00 0.17 C ATOM 634 CG PRO A 378 -3.522 2.470 10.241 1.00 0.19 C ATOM 635 CD PRO A 378 -3.477 3.120 8.913 1.00 0.17 C ATOM 0 HA PRO A 378 -3.709 5.383 11.240 1.00 0.15 H new ATOM 0 HB2 PRO A 378 -1.644 3.196 10.962 1.00 0.17 H new ATOM 0 HB3 PRO A 378 -2.944 3.278 12.135 1.00 0.17 H new ATOM 0 HG2 PRO A 378 -3.099 1.466 10.216 1.00 0.19 H new ATOM 0 HG3 PRO A 378 -4.542 2.377 10.613 1.00 0.19 H new ATOM 0 HD2 PRO A 378 -2.511 2.997 8.423 1.00 0.17 H new ATOM 0 HD3 PRO A 378 -4.232 2.727 8.233 1.00 0.17 H new ATOM 643 N ALA A 379 -1.061 5.192 9.387 1.00 0.11 N ATOM 644 CA ALA A 379 0.263 5.708 9.111 1.00 0.10 C ATOM 645 C ALA A 379 1.230 5.556 10.272 1.00 0.10 C ATOM 646 O ALA A 379 0.938 5.814 11.441 1.00 0.13 O ATOM 647 CB ALA A 379 0.235 7.123 8.592 1.00 0.11 C ATOM 0 H ALA A 379 -1.355 4.465 8.734 1.00 0.11 H new ATOM 0 HA ALA A 379 0.651 5.077 8.311 1.00 0.10 H new ATOM 0 HB1 ALA A 379 1.254 7.461 8.401 1.00 0.11 H new ATOM 0 HB2 ALA A 379 -0.339 7.160 7.666 1.00 0.11 H new ATOM 0 HB3 ALA A 379 -0.230 7.773 9.333 1.00 0.11 H new ATOM 653 N GLY A 380 2.398 5.135 9.881 1.00 0.10 N ATOM 654 CA GLY A 380 3.475 4.846 10.777 1.00 0.11 C ATOM 655 C GLY A 380 4.371 3.819 10.157 1.00 0.12 C ATOM 656 O GLY A 380 4.795 3.961 9.014 1.00 0.20 O ATOM 0 H GLY A 380 2.632 4.979 8.900 1.00 0.10 H new ATOM 0 HA2 GLY A 380 4.038 5.754 10.992 1.00 0.11 H new ATOM 0 HA3 GLY A 380 3.085 4.480 11.727 1.00 0.11 H new ATOM 660 N VAL A 381 4.605 2.761 10.891 1.00 0.12 N ATOM 661 CA VAL A 381 5.427 1.672 10.431 1.00 0.13 C ATOM 662 C VAL A 381 4.636 0.361 10.426 1.00 0.15 C ATOM 663 O VAL A 381 4.300 -0.186 11.478 1.00 0.25 O ATOM 664 CB VAL A 381 6.656 1.537 11.329 1.00 0.17 C ATOM 665 CG1 VAL A 381 7.434 0.276 10.989 1.00 0.79 C ATOM 666 CG2 VAL A 381 7.532 2.763 11.201 1.00 0.82 C ATOM 0 H VAL A 381 4.228 2.631 11.830 1.00 0.12 H new ATOM 0 HA VAL A 381 5.747 1.884 9.411 1.00 0.13 H new ATOM 0 HB VAL A 381 6.325 1.457 12.364 1.00 0.17 H new ATOM 0 HG11 VAL A 381 8.305 0.199 11.640 1.00 0.79 H new ATOM 0 HG12 VAL A 381 6.795 -0.595 11.133 1.00 0.79 H new ATOM 0 HG13 VAL A 381 7.760 0.319 9.950 1.00 0.79 H new ATOM 0 HG21 VAL A 381 8.405 2.656 11.845 1.00 0.82 H new ATOM 0 HG22 VAL A 381 7.856 2.872 10.166 1.00 0.82 H new ATOM 0 HG23 VAL A 381 6.967 3.646 11.499 1.00 0.82 H new ATOM 676 N PHE A 382 4.320 -0.112 9.235 1.00 0.09 N ATOM 677 CA PHE A 382 3.671 -1.397 9.047 1.00 0.09 C ATOM 678 C PHE A 382 4.736 -2.354 8.481 1.00 0.09 C ATOM 679 O PHE A 382 5.903 -1.973 8.395 1.00 0.10 O ATOM 680 CB PHE A 382 2.444 -1.298 8.131 1.00 0.10 C ATOM 681 CG PHE A 382 1.610 -0.055 8.324 1.00 0.11 C ATOM 682 CD1 PHE A 382 1.408 0.472 9.595 1.00 0.18 C ATOM 683 CD2 PHE A 382 1.025 0.589 7.243 1.00 0.12 C ATOM 684 CE1 PHE A 382 0.644 1.603 9.772 1.00 0.22 C ATOM 685 CE2 PHE A 382 0.257 1.722 7.422 1.00 0.15 C ATOM 686 CZ PHE A 382 0.082 2.239 8.669 1.00 0.18 C ATOM 0 H PHE A 382 4.507 0.387 8.365 1.00 0.09 H new ATOM 0 HA PHE A 382 3.286 -1.770 9.996 1.00 0.09 H new ATOM 0 HB2 PHE A 382 2.778 -1.337 7.094 1.00 0.10 H new ATOM 0 HB3 PHE A 382 1.813 -2.171 8.296 1.00 0.10 H new ATOM 0 HD1 PHE A 382 1.855 -0.011 10.451 1.00 0.18 H new ATOM 0 HD2 PHE A 382 1.173 0.198 6.247 1.00 0.12 H new ATOM 0 HE1 PHE A 382 0.481 1.996 10.765 1.00 0.22 H new ATOM 0 HE2 PHE A 382 -0.206 2.199 6.571 1.00 0.15 H new ATOM 0 HZ PHE A 382 -0.493 3.143 8.803 1.00 0.18 H new ATOM 696 N TYR A 383 4.394 -3.577 8.105 1.00 0.11 N ATOM 697 CA TYR A 383 5.442 -4.525 7.717 1.00 0.11 C ATOM 698 C TYR A 383 5.062 -5.375 6.503 1.00 0.11 C ATOM 699 O TYR A 383 4.042 -6.057 6.513 1.00 0.13 O ATOM 700 CB TYR A 383 5.700 -5.431 8.912 1.00 0.13 C ATOM 701 CG TYR A 383 7.134 -5.867 9.051 1.00 0.21 C ATOM 702 CD1 TYR A 383 8.146 -4.928 9.170 1.00 0.25 C ATOM 703 CD2 TYR A 383 7.472 -7.212 9.085 1.00 0.37 C ATOM 704 CE1 TYR A 383 9.460 -5.309 9.325 1.00 0.39 C ATOM 705 CE2 TYR A 383 8.783 -7.612 9.232 1.00 0.49 C ATOM 706 CZ TYR A 383 9.778 -6.657 9.356 1.00 0.50 C ATOM 707 OH TYR A 383 11.087 -7.047 9.530 1.00 0.65 O ATOM 0 H TYR A 383 3.439 -3.933 8.059 1.00 0.11 H new ATOM 0 HA TYR A 383 6.330 -3.961 7.430 1.00 0.11 H new ATOM 0 HB2 TYR A 383 5.399 -4.910 9.821 1.00 0.13 H new ATOM 0 HB3 TYR A 383 5.069 -6.315 8.828 1.00 0.13 H new ATOM 0 HD1 TYR A 383 7.899 -3.877 9.141 1.00 0.25 H new ATOM 0 HD2 TYR A 383 6.696 -7.958 8.995 1.00 0.37 H new ATOM 0 HE1 TYR A 383 10.236 -4.564 9.422 1.00 0.39 H new ATOM 0 HE2 TYR A 383 9.032 -8.663 9.250 1.00 0.49 H new ATOM 0 HH TYR A 383 11.555 -7.014 8.670 1.00 0.65 H new ATOM 717 N VAL A 384 5.893 -5.327 5.451 1.00 0.09 N ATOM 718 CA VAL A 384 5.742 -6.255 4.334 1.00 0.09 C ATOM 719 C VAL A 384 6.568 -7.485 4.588 1.00 0.13 C ATOM 720 O VAL A 384 7.756 -7.576 4.266 1.00 0.16 O ATOM 721 CB VAL A 384 6.084 -5.678 2.942 1.00 0.07 C ATOM 722 CG1 VAL A 384 7.370 -4.899 2.970 1.00 0.07 C ATOM 723 CG2 VAL A 384 6.168 -6.792 1.890 1.00 0.08 C ATOM 0 H VAL A 384 6.663 -4.665 5.356 1.00 0.09 H new ATOM 0 HA VAL A 384 4.678 -6.487 4.294 1.00 0.09 H new ATOM 0 HB VAL A 384 5.278 -4.997 2.668 1.00 0.07 H new ATOM 0 HG11 VAL A 384 7.580 -4.508 1.975 1.00 0.07 H new ATOM 0 HG12 VAL A 384 7.279 -4.071 3.674 1.00 0.07 H new ATOM 0 HG13 VAL A 384 8.185 -5.553 3.282 1.00 0.07 H new ATOM 0 HG21 VAL A 384 6.410 -6.359 0.920 1.00 0.08 H new ATOM 0 HG22 VAL A 384 6.944 -7.503 2.174 1.00 0.08 H new ATOM 0 HG23 VAL A 384 5.209 -7.307 1.828 1.00 0.08 H new ATOM 733 N TRP A 385 5.911 -8.430 5.175 1.00 0.18 N ATOM 734 CA TRP A 385 6.508 -9.705 5.445 1.00 0.23 C ATOM 735 C TRP A 385 6.206 -10.629 4.279 1.00 0.12 C ATOM 736 O TRP A 385 6.433 -11.837 4.335 1.00 0.21 O ATOM 737 CB TRP A 385 6.038 -10.262 6.794 1.00 0.48 C ATOM 738 CG TRP A 385 4.544 -10.300 6.944 1.00 0.45 C ATOM 739 CD1 TRP A 385 3.713 -9.235 7.182 1.00 0.57 C ATOM 740 CD2 TRP A 385 3.702 -11.456 6.884 1.00 1.08 C ATOM 741 NE1 TRP A 385 2.416 -9.663 7.263 1.00 1.17 N ATOM 742 CE2 TRP A 385 2.383 -11.015 7.087 1.00 1.54 C ATOM 743 CE3 TRP A 385 3.931 -12.820 6.675 1.00 1.37 C ATOM 744 CZ2 TRP A 385 1.300 -11.882 7.089 1.00 2.27 C ATOM 745 CZ3 TRP A 385 2.851 -13.683 6.679 1.00 2.11 C ATOM 746 CH2 TRP A 385 1.549 -13.210 6.884 1.00 2.55 C ATOM 0 H TRP A 385 4.943 -8.344 5.483 1.00 0.18 H new ATOM 0 HA TRP A 385 7.590 -9.608 5.535 1.00 0.23 H new ATOM 0 HB2 TRP A 385 6.433 -11.271 6.918 1.00 0.48 H new ATOM 0 HB3 TRP A 385 6.459 -9.654 7.595 1.00 0.48 H new ATOM 0 HD1 TRP A 385 4.035 -8.210 7.290 1.00 0.57 H new ATOM 0 HE1 TRP A 385 1.605 -9.067 7.428 1.00 1.17 H new ATOM 0 HE3 TRP A 385 4.932 -13.192 6.514 1.00 1.37 H new ATOM 0 HZ2 TRP A 385 0.295 -11.520 7.247 1.00 2.27 H new ATOM 0 HZ3 TRP A 385 3.014 -14.739 6.521 1.00 2.11 H new ATOM 0 HH2 TRP A 385 0.725 -13.909 6.880 1.00 2.55 H new ATOM 757 N ASN A 386 5.692 -10.013 3.208 1.00 0.10 N ATOM 758 CA ASN A 386 5.469 -10.694 1.943 1.00 0.14 C ATOM 759 C ASN A 386 5.127 -9.685 0.850 1.00 0.11 C ATOM 760 O ASN A 386 4.234 -8.868 0.993 1.00 0.12 O ATOM 761 CB ASN A 386 4.327 -11.695 2.092 1.00 0.27 C ATOM 762 CG ASN A 386 4.123 -12.539 0.848 1.00 0.33 C ATOM 763 OD1 ASN A 386 4.732 -13.599 0.700 1.00 0.43 O ATOM 764 ND2 ASN A 386 3.266 -12.086 -0.048 1.00 0.31 N ATOM 0 H ASN A 386 5.422 -9.029 3.202 1.00 0.10 H new ATOM 0 HA ASN A 386 6.381 -11.221 1.663 1.00 0.14 H new ATOM 0 HB2 ASN A 386 4.530 -12.349 2.940 1.00 0.27 H new ATOM 0 HB3 ASN A 386 3.406 -11.158 2.317 1.00 0.27 H new ATOM 0 HD21 ASN A 386 3.089 -12.619 -0.899 1.00 0.31 H new ATOM 0 HD22 ASN A 386 2.781 -11.203 0.111 1.00 0.31 H new ATOM 771 N LYS A 387 5.882 -9.759 -0.224 1.00 0.11 N ATOM 772 CA LYS A 387 5.601 -9.039 -1.470 1.00 0.09 C ATOM 773 C LYS A 387 5.005 -10.006 -2.474 1.00 0.08 C ATOM 774 O LYS A 387 5.449 -11.150 -2.573 1.00 0.13 O ATOM 775 CB LYS A 387 6.892 -8.423 -2.040 1.00 0.13 C ATOM 776 CG LYS A 387 8.175 -8.872 -1.359 1.00 0.38 C ATOM 777 CD LYS A 387 8.437 -10.334 -1.613 1.00 0.20 C ATOM 778 CE LYS A 387 9.035 -10.578 -2.977 1.00 0.40 C ATOM 779 NZ LYS A 387 10.350 -9.901 -3.153 1.00 1.12 N1+ ATOM 0 H LYS A 387 6.727 -10.329 -0.268 1.00 0.11 H new ATOM 0 HA LYS A 387 4.896 -8.232 -1.268 1.00 0.09 H new ATOM 0 HB2 LYS A 387 6.956 -8.669 -3.100 1.00 0.13 H new ATOM 0 HB3 LYS A 387 6.821 -7.338 -1.968 1.00 0.13 H new ATOM 0 HG2 LYS A 387 9.013 -8.279 -1.726 1.00 0.38 H new ATOM 0 HG3 LYS A 387 8.104 -8.692 -0.286 1.00 0.38 H new ATOM 0 HD2 LYS A 387 9.112 -10.718 -0.848 1.00 0.20 H new ATOM 0 HD3 LYS A 387 7.504 -10.890 -1.523 1.00 0.20 H new ATOM 0 HE2 LYS A 387 9.159 -11.650 -3.129 1.00 0.40 H new ATOM 0 HE3 LYS A 387 8.343 -10.225 -3.742 1.00 0.40 H new ATOM 0 HZ1 LYS A 387 10.324 -9.308 -4.007 1.00 1.12 H new ATOM 0 HZ2 LYS A 387 10.548 -9.306 -2.324 1.00 1.12 H new ATOM 0 HZ3 LYS A 387 11.098 -10.616 -3.252 1.00 1.12 H new ATOM 793 N GLU A 388 4.013 -9.538 -3.218 1.00 0.09 N ATOM 794 CA GLU A 388 3.177 -10.412 -4.029 1.00 0.10 C ATOM 795 C GLU A 388 3.126 -10.058 -5.491 1.00 0.10 C ATOM 796 O GLU A 388 3.374 -8.928 -5.894 1.00 0.10 O ATOM 797 CB GLU A 388 1.752 -10.366 -3.524 1.00 0.09 C ATOM 798 CG GLU A 388 1.445 -11.352 -2.477 1.00 0.15 C ATOM 799 CD GLU A 388 1.630 -12.788 -2.919 1.00 0.38 C ATOM 800 OE1 GLU A 388 0.778 -13.291 -3.675 1.00 0.69 O ATOM 801 OE2 GLU A 388 2.636 -13.419 -2.525 1.00 0.71 O1- ATOM 0 H GLU A 388 3.766 -8.550 -3.277 1.00 0.09 H new ATOM 0 HA GLU A 388 3.634 -11.397 -3.937 1.00 0.10 H new ATOM 0 HB2 GLU A 388 1.549 -9.368 -3.136 1.00 0.09 H new ATOM 0 HB3 GLU A 388 1.076 -10.525 -4.365 1.00 0.09 H new ATOM 0 HG2 GLU A 388 2.083 -11.162 -1.614 1.00 0.15 H new ATOM 0 HG3 GLU A 388 0.415 -11.212 -2.150 1.00 0.15 H new ATOM 808 N GLU A 389 2.749 -11.065 -6.243 1.00 0.10 N ATOM 809 CA GLU A 389 2.332 -10.945 -7.603 1.00 0.11 C ATOM 810 C GLU A 389 1.015 -11.666 -7.713 1.00 0.16 C ATOM 811 O GLU A 389 0.762 -12.670 -7.042 1.00 0.28 O ATOM 812 CB GLU A 389 3.337 -11.550 -8.564 1.00 0.14 C ATOM 813 CG GLU A 389 4.602 -10.748 -8.697 1.00 0.16 C ATOM 814 CD GLU A 389 5.593 -11.395 -9.638 1.00 0.27 C ATOM 815 OE1 GLU A 389 6.151 -12.455 -9.289 1.00 0.33 O1- ATOM 816 OE2 GLU A 389 5.798 -10.861 -10.747 1.00 0.38 O ATOM 0 H GLU A 389 2.727 -12.026 -5.901 1.00 0.10 H new ATOM 0 HA GLU A 389 2.244 -9.892 -7.872 1.00 0.11 H new ATOM 0 HB2 GLU A 389 3.588 -12.556 -8.228 1.00 0.14 H new ATOM 0 HB3 GLU A 389 2.874 -11.648 -9.546 1.00 0.14 H new ATOM 0 HG2 GLU A 389 4.360 -9.748 -9.058 1.00 0.16 H new ATOM 0 HG3 GLU A 389 5.060 -10.630 -7.715 1.00 0.16 H new ATOM 823 N ASP A 390 0.196 -11.098 -8.592 1.00 0.12 N ATOM 824 CA ASP A 390 -1.087 -11.649 -9.006 1.00 0.15 C ATOM 825 C ASP A 390 -1.897 -12.082 -7.798 1.00 0.16 C ATOM 826 O ASP A 390 -2.623 -13.071 -7.812 1.00 0.25 O ATOM 827 CB ASP A 390 -0.826 -12.784 -9.979 1.00 0.19 C ATOM 828 CG ASP A 390 -2.098 -13.374 -10.555 1.00 0.28 C ATOM 829 OD1 ASP A 390 -2.857 -12.640 -11.225 1.00 0.41 O ATOM 830 OD2 ASP A 390 -2.342 -14.582 -10.348 1.00 0.36 O1- ATOM 0 H ASP A 390 0.415 -10.213 -9.050 1.00 0.12 H new ATOM 0 HA ASP A 390 -1.686 -10.893 -9.513 1.00 0.15 H new ATOM 0 HB2 ASP A 390 -0.199 -12.420 -10.793 1.00 0.19 H new ATOM 0 HB3 ASP A 390 -0.265 -13.569 -9.471 1.00 0.19 H new ATOM 835 N ALA A 391 -1.776 -11.245 -6.774 1.00 0.12 N ATOM 836 CA ALA A 391 -2.361 -11.451 -5.469 1.00 0.11 C ATOM 837 C ALA A 391 -3.817 -11.090 -5.515 1.00 0.10 C ATOM 838 O ALA A 391 -4.272 -10.495 -6.468 1.00 0.11 O ATOM 839 CB ALA A 391 -1.674 -10.534 -4.492 1.00 0.10 C ATOM 0 H ALA A 391 -1.247 -10.375 -6.840 1.00 0.12 H new ATOM 0 HA ALA A 391 -2.246 -12.493 -5.170 1.00 0.11 H new ATOM 0 HB1 ALA A 391 -2.102 -10.674 -3.499 1.00 0.10 H new ATOM 0 HB2 ALA A 391 -0.609 -10.764 -4.464 1.00 0.10 H new ATOM 0 HB3 ALA A 391 -1.814 -9.499 -4.804 1.00 0.10 H new ATOM 845 N THR A 392 -4.560 -11.456 -4.512 1.00 0.11 N ATOM 846 CA THR A 392 -5.918 -10.986 -4.424 1.00 0.11 C ATOM 847 C THR A 392 -6.218 -10.440 -3.054 1.00 0.11 C ATOM 848 O THR A 392 -6.121 -11.127 -2.036 1.00 0.14 O ATOM 849 CB THR A 392 -6.953 -12.053 -4.812 1.00 0.15 C ATOM 850 OG1 THR A 392 -6.594 -12.651 -6.063 1.00 0.17 O ATOM 851 CG2 THR A 392 -8.331 -11.426 -4.932 1.00 0.15 C ATOM 0 H THR A 392 -4.259 -12.068 -3.753 1.00 0.11 H new ATOM 0 HA THR A 392 -6.004 -10.181 -5.154 1.00 0.11 H new ATOM 0 HB THR A 392 -6.972 -12.818 -4.036 1.00 0.15 H new ATOM 0 HG1 THR A 392 -7.258 -13.331 -6.303 1.00 0.17 H new ATOM 0 HG21 THR A 392 -9.056 -12.192 -5.207 1.00 0.15 H new ATOM 0 HG22 THR A 392 -8.614 -10.985 -3.977 1.00 0.15 H new ATOM 0 HG23 THR A 392 -8.313 -10.651 -5.698 1.00 0.15 H new ATOM 859 N LEU A 393 -6.563 -9.183 -3.062 1.00 0.10 N ATOM 860 CA LEU A 393 -6.886 -8.448 -1.858 1.00 0.12 C ATOM 861 C LEU A 393 -8.276 -8.738 -1.382 1.00 0.15 C ATOM 862 O LEU A 393 -9.240 -8.067 -1.737 1.00 0.16 O ATOM 863 CB LEU A 393 -6.746 -6.983 -2.145 1.00 0.11 C ATOM 864 CG LEU A 393 -5.351 -6.400 -2.062 1.00 0.25 C ATOM 865 CD1 LEU A 393 -4.346 -7.367 -2.619 1.00 0.57 C ATOM 866 CD2 LEU A 393 -5.305 -5.135 -2.866 1.00 0.51 C ATOM 0 H LEU A 393 -6.631 -8.627 -3.914 1.00 0.10 H new ATOM 0 HA LEU A 393 -6.201 -8.756 -1.068 1.00 0.12 H new ATOM 0 HB2 LEU A 393 -7.134 -6.795 -3.146 1.00 0.11 H new ATOM 0 HB3 LEU A 393 -7.384 -6.438 -1.449 1.00 0.11 H new ATOM 0 HG LEU A 393 -5.111 -6.199 -1.018 1.00 0.25 H new ATOM 0 HD11 LEU A 393 -3.348 -6.933 -2.552 1.00 0.57 H new ATOM 0 HD12 LEU A 393 -4.378 -8.294 -2.047 1.00 0.57 H new ATOM 0 HD13 LEU A 393 -4.582 -7.576 -3.662 1.00 0.57 H new ATOM 0 HD21 LEU A 393 -4.304 -4.706 -2.813 1.00 0.51 H new ATOM 0 HD22 LEU A 393 -5.551 -5.355 -3.905 1.00 0.51 H new ATOM 0 HD23 LEU A 393 -6.026 -4.423 -2.465 1.00 0.51 H new ATOM 878 N LYS A 394 -8.350 -9.746 -0.595 1.00 0.18 N ATOM 879 CA LYS A 394 -9.576 -10.163 0.016 1.00 0.23 C ATOM 880 C LYS A 394 -9.685 -9.757 1.449 1.00 0.29 C ATOM 881 O LYS A 394 -8.791 -9.116 2.012 1.00 0.29 O ATOM 882 CB LYS A 394 -9.600 -11.625 -0.097 1.00 0.25 C ATOM 883 CG LYS A 394 -9.634 -12.007 -1.502 1.00 0.23 C ATOM 884 CD LYS A 394 -10.158 -13.341 -1.611 1.00 0.27 C ATOM 885 CE LYS A 394 -9.572 -13.899 -2.831 1.00 0.27 C ATOM 886 NZ LYS A 394 -9.928 -15.322 -3.070 1.00 0.33 N1+ ATOM 0 H LYS A 394 -7.547 -10.324 -0.346 1.00 0.18 H new ATOM 0 HA LYS A 394 -10.419 -9.686 -0.485 1.00 0.23 H new ATOM 0 HB2 LYS A 394 -8.720 -12.051 0.385 1.00 0.25 H new ATOM 0 HB3 LYS A 394 -10.472 -12.025 0.420 1.00 0.25 H new ATOM 0 HG2 LYS A 394 -10.255 -11.311 -2.067 1.00 0.23 H new ATOM 0 HG3 LYS A 394 -8.632 -11.960 -1.930 1.00 0.23 H new ATOM 0 HD2 LYS A 394 -9.891 -13.939 -0.740 1.00 0.27 H new ATOM 0 HD3 LYS A 394 -11.246 -13.330 -1.669 1.00 0.27 H new ATOM 0 HE2 LYS A 394 -9.898 -13.304 -3.684 1.00 0.27 H new ATOM 0 HE3 LYS A 394 -8.487 -13.810 -2.776 1.00 0.27 H new ATOM 0 HZ1 LYS A 394 -9.479 -15.649 -3.949 1.00 0.33 H new ATOM 0 HZ2 LYS A 394 -9.594 -15.902 -2.274 1.00 0.33 H new ATOM 0 HZ3 LYS A 394 -10.961 -15.412 -3.154 1.00 0.33 H new ATOM 1015 N GLU A 404 -12.997 -8.771 -2.615 1.00 0.25 N ATOM 1016 CA GLU A 404 -11.775 -9.180 -3.272 1.00 0.21 C ATOM 1017 C GLU A 404 -11.270 -8.079 -4.178 1.00 0.20 C ATOM 1018 O GLU A 404 -12.047 -7.296 -4.714 1.00 0.23 O ATOM 1019 CB GLU A 404 -11.994 -10.425 -4.115 1.00 0.22 C ATOM 1020 CG GLU A 404 -12.210 -11.677 -3.298 1.00 0.24 C ATOM 1021 CD GLU A 404 -13.569 -12.300 -3.523 1.00 0.31 C ATOM 1022 OE1 GLU A 404 -14.553 -11.816 -2.920 1.00 0.53 O ATOM 1023 OE2 GLU A 404 -13.661 -13.273 -4.295 1.00 0.39 O1- ATOM 0 HA GLU A 404 -11.044 -9.393 -2.492 1.00 0.21 H new ATOM 0 HB2 GLU A 404 -12.858 -10.269 -4.761 1.00 0.22 H new ATOM 0 HB3 GLU A 404 -11.131 -10.570 -4.766 1.00 0.22 H new ATOM 0 HG2 GLU A 404 -11.437 -12.404 -3.546 1.00 0.24 H new ATOM 0 HG3 GLU A 404 -12.096 -11.439 -2.241 1.00 0.24 H new ATOM 1030 N SER A 405 -9.963 -8.003 -4.312 1.00 0.16 N ATOM 1031 CA SER A 405 -9.356 -7.145 -5.292 1.00 0.15 C ATOM 1032 C SER A 405 -8.118 -7.819 -5.810 1.00 0.13 C ATOM 1033 O SER A 405 -7.059 -7.757 -5.192 1.00 0.11 O ATOM 1034 CB SER A 405 -8.955 -5.810 -4.688 1.00 0.15 C ATOM 1035 OG SER A 405 -9.752 -5.484 -3.557 1.00 0.19 O ATOM 0 H SER A 405 -9.300 -8.533 -3.746 1.00 0.16 H new ATOM 0 HA SER A 405 -10.078 -6.964 -6.088 1.00 0.15 H new ATOM 0 HB2 SER A 405 -7.905 -5.843 -4.396 1.00 0.15 H new ATOM 0 HB3 SER A 405 -9.052 -5.027 -5.440 1.00 0.15 H new ATOM 0 HG SER A 405 -9.466 -4.620 -3.193 1.00 0.19 H new ATOM 1041 N PRO A 406 -8.233 -8.478 -6.946 1.00 0.15 N ATOM 1042 CA PRO A 406 -7.127 -9.181 -7.540 1.00 0.14 C ATOM 1043 C PRO A 406 -6.093 -8.208 -8.028 1.00 0.13 C ATOM 1044 O PRO A 406 -6.300 -7.455 -8.981 1.00 0.17 O ATOM 1045 CB PRO A 406 -7.766 -9.987 -8.666 1.00 0.18 C ATOM 1046 CG PRO A 406 -9.212 -9.960 -8.346 1.00 0.19 C ATOM 1047 CD PRO A 406 -9.441 -8.624 -7.735 1.00 0.18 C ATOM 0 HA PRO A 406 -6.594 -9.830 -6.845 1.00 0.14 H new ATOM 0 HB2 PRO A 406 -7.564 -9.542 -9.640 1.00 0.18 H new ATOM 0 HB3 PRO A 406 -7.382 -11.007 -8.695 1.00 0.18 H new ATOM 0 HG2 PRO A 406 -9.818 -10.094 -9.242 1.00 0.19 H new ATOM 0 HG3 PRO A 406 -9.480 -10.761 -7.657 1.00 0.19 H new ATOM 0 HD2 PRO A 406 -9.543 -7.839 -8.484 1.00 0.18 H new ATOM 0 HD3 PRO A 406 -10.342 -8.599 -7.121 1.00 0.18 H new ATOM 1055 N VAL A 407 -4.985 -8.247 -7.344 1.00 0.10 N ATOM 1056 CA VAL A 407 -3.963 -7.273 -7.450 1.00 0.09 C ATOM 1057 C VAL A 407 -2.766 -7.931 -8.119 1.00 0.11 C ATOM 1058 O VAL A 407 -2.680 -9.150 -8.181 1.00 0.15 O ATOM 1059 CB VAL A 407 -3.687 -6.787 -6.011 1.00 0.08 C ATOM 1060 CG1 VAL A 407 -2.421 -7.287 -5.410 1.00 0.07 C ATOM 1061 CG2 VAL A 407 -3.847 -5.307 -5.849 1.00 0.08 C ATOM 0 H VAL A 407 -4.772 -8.988 -6.677 1.00 0.10 H new ATOM 0 HA VAL A 407 -4.225 -6.408 -8.059 1.00 0.09 H new ATOM 0 HB VAL A 407 -4.476 -7.258 -5.425 1.00 0.08 H new ATOM 0 HG11 VAL A 407 -2.317 -6.891 -4.400 1.00 0.07 H new ATOM 0 HG12 VAL A 407 -2.441 -8.376 -5.373 1.00 0.07 H new ATOM 0 HG13 VAL A 407 -1.576 -6.960 -6.017 1.00 0.07 H new ATOM 0 HG21 VAL A 407 -3.639 -5.030 -4.816 1.00 0.08 H new ATOM 0 HG22 VAL A 407 -3.151 -4.791 -6.510 1.00 0.08 H new ATOM 0 HG23 VAL A 407 -4.868 -5.021 -6.103 1.00 0.08 H new ATOM 1071 N ASN A 408 -1.881 -7.146 -8.664 1.00 0.11 N ATOM 1072 CA ASN A 408 -0.761 -7.684 -9.408 1.00 0.12 C ATOM 1073 C ASN A 408 0.415 -7.811 -8.490 1.00 0.10 C ATOM 1074 O ASN A 408 1.340 -8.569 -8.755 1.00 0.11 O ATOM 1075 CB ASN A 408 -0.441 -6.764 -10.567 1.00 0.15 C ATOM 1076 CG ASN A 408 -1.567 -6.735 -11.568 1.00 0.19 C ATOM 1077 OD1 ASN A 408 -1.558 -7.454 -12.565 1.00 0.51 O ATOM 1078 ND2 ASN A 408 -2.562 -5.925 -11.281 1.00 0.38 N ATOM 0 H ASN A 408 -1.907 -6.128 -8.611 1.00 0.11 H new ATOM 0 HA ASN A 408 -1.007 -8.669 -9.806 1.00 0.12 H new ATOM 0 HB2 ASN A 408 -0.256 -5.756 -10.194 1.00 0.15 H new ATOM 0 HB3 ASN A 408 0.475 -7.096 -11.056 1.00 0.15 H new ATOM 0 HD21 ASN A 408 -3.373 -5.874 -11.898 1.00 0.38 H new ATOM 0 HD22 ASN A 408 -2.523 -5.347 -10.441 1.00 0.38 H new ATOM 1085 N TYR A 409 0.348 -7.075 -7.396 1.00 0.08 N ATOM 1086 CA TYR A 409 1.462 -6.921 -6.480 1.00 0.06 C ATOM 1087 C TYR A 409 0.916 -6.484 -5.140 1.00 0.06 C ATOM 1088 O TYR A 409 0.211 -5.478 -5.047 1.00 0.06 O ATOM 1089 CB TYR A 409 2.508 -5.912 -6.990 1.00 0.06 C ATOM 1090 CG TYR A 409 3.117 -6.295 -8.322 1.00 0.08 C ATOM 1091 CD1 TYR A 409 4.268 -7.066 -8.369 1.00 0.11 C ATOM 1092 CD2 TYR A 409 2.582 -5.844 -9.522 1.00 0.13 C ATOM 1093 CE1 TYR A 409 4.873 -7.378 -9.565 1.00 0.17 C ATOM 1094 CE2 TYR A 409 3.177 -6.164 -10.730 1.00 0.18 C ATOM 1095 CZ TYR A 409 4.146 -7.069 -10.786 1.00 0.17 C ATOM 1096 OH TYR A 409 4.931 -7.238 -11.944 1.00 0.27 O ATOM 0 H TYR A 409 -0.489 -6.563 -7.116 1.00 0.08 H new ATOM 0 HA TYR A 409 1.976 -7.878 -6.393 1.00 0.06 H new ATOM 0 HB2 TYR A 409 2.041 -4.931 -7.082 1.00 0.06 H new ATOM 0 HB3 TYR A 409 3.302 -5.819 -6.250 1.00 0.06 H new ATOM 0 HD1 TYR A 409 4.699 -7.429 -7.448 1.00 0.11 H new ATOM 0 HD2 TYR A 409 1.690 -5.235 -9.512 1.00 0.13 H new ATOM 0 HE1 TYR A 409 5.851 -7.835 -9.596 1.00 0.17 H new ATOM 0 HE2 TYR A 409 2.850 -5.673 -11.635 1.00 0.18 H new ATOM 0 HH TYR A 409 4.397 -7.019 -12.736 1.00 0.27 H new ATOM 1106 N TRP A 410 1.261 -7.219 -4.111 1.00 0.06 N ATOM 1107 CA TRP A 410 0.597 -7.099 -2.828 1.00 0.06 C ATOM 1108 C TRP A 410 1.560 -7.289 -1.687 1.00 0.06 C ATOM 1109 O TRP A 410 2.361 -8.209 -1.665 1.00 0.09 O ATOM 1110 CB TRP A 410 -0.495 -8.150 -2.790 1.00 0.07 C ATOM 1111 CG TRP A 410 -1.165 -8.358 -1.489 1.00 0.07 C ATOM 1112 CD1 TRP A 410 -1.366 -9.546 -0.916 1.00 0.08 C ATOM 1113 CD2 TRP A 410 -1.735 -7.380 -0.633 1.00 0.06 C ATOM 1114 NE1 TRP A 410 -2.071 -9.393 0.256 1.00 0.08 N ATOM 1115 CE2 TRP A 410 -2.304 -8.045 0.458 1.00 0.07 C ATOM 1116 CE3 TRP A 410 -1.815 -6.011 -0.701 1.00 0.06 C ATOM 1117 CZ2 TRP A 410 -2.964 -7.349 1.488 1.00 0.07 C ATOM 1118 CZ3 TRP A 410 -2.450 -5.315 0.292 1.00 0.07 C ATOM 1119 CH2 TRP A 410 -3.026 -5.977 1.385 1.00 0.07 C ATOM 0 H TRP A 410 2.006 -7.915 -4.135 1.00 0.06 H new ATOM 0 HA TRP A 410 0.178 -6.099 -2.715 1.00 0.06 H new ATOM 0 HB2 TRP A 410 -1.253 -7.881 -3.525 1.00 0.07 H new ATOM 0 HB3 TRP A 410 -0.066 -9.100 -3.108 1.00 0.07 H new ATOM 0 HD1 TRP A 410 -1.025 -10.490 -1.314 1.00 0.08 H new ATOM 0 HE1 TRP A 410 -2.371 -10.148 0.873 1.00 0.08 H new ATOM 0 HE3 TRP A 410 -1.378 -5.484 -1.536 1.00 0.06 H new ATOM 0 HZ2 TRP A 410 -3.404 -7.870 2.325 1.00 0.07 H new ATOM 0 HZ3 TRP A 410 -2.508 -4.238 0.232 1.00 0.07 H new ATOM 0 HH2 TRP A 410 -3.524 -5.405 2.154 1.00 0.07 H new ATOM 1130 N MET A 411 1.504 -6.383 -0.758 1.00 0.08 N ATOM 1131 CA MET A 411 2.230 -6.540 0.463 1.00 0.09 C ATOM 1132 C MET A 411 1.215 -6.741 1.573 1.00 0.12 C ATOM 1133 O MET A 411 0.672 -5.758 2.086 1.00 0.14 O ATOM 1134 CB MET A 411 3.086 -5.309 0.739 1.00 0.10 C ATOM 1135 CG MET A 411 3.837 -4.768 -0.471 1.00 0.09 C ATOM 1136 SD MET A 411 5.013 -5.940 -1.153 1.00 0.06 S ATOM 1137 CE MET A 411 5.873 -4.914 -2.338 1.00 0.06 C ATOM 0 H MET A 411 0.959 -5.523 -0.824 1.00 0.08 H new ATOM 0 HA MET A 411 2.901 -7.396 0.400 1.00 0.09 H new ATOM 0 HB2 MET A 411 2.446 -4.520 1.134 1.00 0.10 H new ATOM 0 HB3 MET A 411 3.808 -5.553 1.518 1.00 0.10 H new ATOM 0 HG2 MET A 411 3.119 -4.492 -1.243 1.00 0.09 H new ATOM 0 HG3 MET A 411 4.364 -3.857 -0.186 1.00 0.09 H new ATOM 0 HE1 MET A 411 5.517 -5.141 -3.343 1.00 0.06 H new ATOM 0 HE2 MET A 411 5.684 -3.864 -2.115 1.00 0.06 H new ATOM 0 HE3 MET A 411 6.944 -5.110 -2.280 1.00 0.06 H new ATOM 1147 N PRO A 412 0.888 -8.004 1.920 1.00 0.13 N ATOM 1148 CA PRO A 412 -0.073 -8.298 2.977 1.00 0.19 C ATOM 1149 C PRO A 412 0.463 -7.912 4.338 1.00 0.25 C ATOM 1150 O PRO A 412 0.744 -8.767 5.176 1.00 0.50 O ATOM 1151 CB PRO A 412 -0.295 -9.809 2.888 1.00 0.24 C ATOM 1152 CG PRO A 412 0.933 -10.328 2.226 1.00 0.23 C ATOM 1153 CD PRO A 412 1.412 -9.234 1.306 1.00 0.16 C ATOM 0 HA PRO A 412 -0.997 -7.733 2.853 1.00 0.19 H new ATOM 0 HB2 PRO A 412 -0.429 -10.249 3.876 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -1.188 -10.046 2.309 1.00 0.24 H new ATOM 0 HG2 PRO A 412 1.696 -10.578 2.963 1.00 0.23 H new ATOM 0 HG3 PRO A 412 0.718 -11.239 1.668 1.00 0.23 H new ATOM 0 HD2 PRO A 412 2.500 -9.216 1.239 1.00 0.16 H new ATOM 0 HD3 PRO A 412 1.032 -9.368 0.293 1.00 0.16 H new ATOM 1237 N VAL A 418 -3.807 -2.248 7.356 1.00 0.32 N ATOM 1238 CA VAL A 418 -3.405 -1.707 6.061 1.00 0.26 C ATOM 1239 C VAL A 418 -2.758 -2.782 5.176 1.00 0.24 C ATOM 1240 O VAL A 418 -2.543 -3.916 5.600 1.00 0.27 O ATOM 1241 CB VAL A 418 -2.406 -0.543 6.286 1.00 0.25 C ATOM 1242 CG1 VAL A 418 -1.980 0.146 4.987 1.00 0.75 C ATOM 1243 CG2 VAL A 418 -3.008 0.469 7.230 1.00 0.75 C ATOM 0 HA VAL A 418 -4.296 -1.346 5.547 1.00 0.26 H new ATOM 0 HB VAL A 418 -1.506 -0.978 6.719 1.00 0.25 H new ATOM 0 HG11 VAL A 418 -1.281 0.951 5.214 1.00 0.75 H new ATOM 0 HG12 VAL A 418 -1.498 -0.579 4.332 1.00 0.75 H new ATOM 0 HG13 VAL A 418 -2.858 0.558 4.489 1.00 0.75 H new ATOM 0 HG21 VAL A 418 -2.303 1.286 7.386 1.00 0.75 H new ATOM 0 HG22 VAL A 418 -3.930 0.862 6.802 1.00 0.75 H new ATOM 0 HG23 VAL A 418 -3.226 -0.009 8.185 1.00 0.75 H new ATOM 1253 N GLY A 419 -2.483 -2.417 3.939 1.00 0.20 N ATOM 1254 CA GLY A 419 -1.701 -3.235 3.057 1.00 0.18 C ATOM 1255 C GLY A 419 -1.418 -2.492 1.793 1.00 0.14 C ATOM 1256 O GLY A 419 -2.331 -2.068 1.099 1.00 0.15 O ATOM 0 H GLY A 419 -2.800 -1.541 3.524 1.00 0.20 H new ATOM 0 HA2 GLY A 419 -0.766 -3.516 3.541 1.00 0.18 H new ATOM 0 HA3 GLY A 419 -2.235 -4.159 2.834 1.00 0.18 H new ATOM 1260 N ILE A 420 -0.162 -2.310 1.499 1.00 0.10 N ATOM 1261 CA ILE A 420 0.214 -1.594 0.313 1.00 0.08 C ATOM 1262 C ILE A 420 0.165 -2.527 -0.888 1.00 0.08 C ATOM 1263 O ILE A 420 0.539 -3.699 -0.789 1.00 0.09 O ATOM 1264 CB ILE A 420 1.637 -1.019 0.431 1.00 0.07 C ATOM 1265 CG1 ILE A 420 1.675 0.253 1.285 1.00 0.08 C ATOM 1266 CG2 ILE A 420 2.200 -0.749 -0.944 1.00 0.08 C ATOM 1267 CD1 ILE A 420 1.782 0.003 2.770 1.00 0.29 C ATOM 0 H ILE A 420 0.618 -2.647 2.063 1.00 0.10 H new ATOM 0 HA ILE A 420 -0.489 -0.771 0.186 1.00 0.08 H new ATOM 0 HB ILE A 420 2.254 -1.763 0.935 1.00 0.07 H new ATOM 0 HG12 ILE A 420 2.521 0.863 0.969 1.00 0.08 H new ATOM 0 HG13 ILE A 420 0.773 0.834 1.091 1.00 0.08 H new ATOM 0 HG21 ILE A 420 3.207 -0.342 -0.851 1.00 0.08 H new ATOM 0 HG22 ILE A 420 2.235 -1.679 -1.512 1.00 0.08 H new ATOM 0 HG23 ILE A 420 1.565 -0.031 -1.463 1.00 0.08 H new ATOM 0 HD11 ILE A 420 1.803 0.956 3.299 1.00 0.29 H new ATOM 0 HD12 ILE A 420 0.923 -0.579 3.104 1.00 0.29 H new ATOM 0 HD13 ILE A 420 2.698 -0.549 2.981 1.00 0.29 H new ATOM 1279 N HIS A 421 -0.304 -2.008 -2.013 1.00 0.07 N ATOM 1280 CA HIS A 421 -0.504 -2.836 -3.188 1.00 0.06 C ATOM 1281 C HIS A 421 -0.547 -2.002 -4.449 1.00 0.07 C ATOM 1282 O HIS A 421 -0.787 -0.801 -4.400 1.00 0.08 O ATOM 1283 CB HIS A 421 -1.815 -3.575 -3.044 1.00 0.06 C ATOM 1284 CG HIS A 421 -3.019 -2.708 -2.992 1.00 0.07 C ATOM 1285 ND1 HIS A 421 -3.602 -2.110 -4.083 1.00 0.08 N ATOM 1286 CD2 HIS A 421 -3.757 -2.361 -1.924 1.00 0.07 C ATOM 1287 CE1 HIS A 421 -4.659 -1.421 -3.648 1.00 0.09 C ATOM 1288 NE2 HIS A 421 -4.802 -1.542 -2.339 1.00 0.08 N ATOM 0 H HIS A 421 -0.551 -1.026 -2.135 1.00 0.07 H new ATOM 0 HA HIS A 421 0.330 -3.533 -3.266 1.00 0.06 H new ATOM 0 HB2 HIS A 421 -1.919 -4.267 -3.880 1.00 0.06 H new ATOM 0 HB3 HIS A 421 -1.779 -4.176 -2.135 1.00 0.06 H new ATOM 0 HD1 HIS A 421 -3.285 -2.180 -5.050 1.00 0.08 H new ATOM 0 HD2 HIS A 421 -3.569 -2.669 -0.906 1.00 0.07 H new ATOM 0 HE1 HIS A 421 -5.312 -0.840 -4.282 1.00 0.09 H new ATOM 1296 N ASP A 422 -0.334 -2.656 -5.580 1.00 0.07 N ATOM 1297 CA ASP A 422 -0.498 -2.015 -6.864 1.00 0.07 C ATOM 1298 C ASP A 422 -1.972 -2.089 -7.249 1.00 0.11 C ATOM 1299 O ASP A 422 -2.671 -3.003 -6.858 1.00 0.20 O ATOM 1300 CB ASP A 422 0.372 -2.713 -7.913 1.00 0.09 C ATOM 1301 CG ASP A 422 -0.384 -3.749 -8.726 1.00 0.65 C ATOM 1302 OD1 ASP A 422 -0.850 -4.746 -8.137 1.00 1.07 O1- ATOM 1303 OD2 ASP A 422 -0.514 -3.571 -9.954 1.00 0.80 O ATOM 0 H ASP A 422 -0.046 -3.633 -5.629 1.00 0.07 H new ATOM 0 HA ASP A 422 -0.185 -0.972 -6.811 1.00 0.07 H new ATOM 0 HB2 ASP A 422 0.787 -1.964 -8.587 1.00 0.09 H new ATOM 0 HB3 ASP A 422 1.213 -3.195 -7.415 1.00 0.09 H new ATOM 1308 N SER A 423 -2.452 -1.107 -7.971 1.00 0.09 N ATOM 1309 CA SER A 423 -3.874 -1.001 -8.250 1.00 0.11 C ATOM 1310 C SER A 423 -4.085 -0.723 -9.709 1.00 0.14 C ATOM 1311 O SER A 423 -4.053 0.416 -10.159 1.00 0.17 O ATOM 1312 CB SER A 423 -4.503 0.105 -7.401 1.00 0.14 C ATOM 1313 OG SER A 423 -5.867 0.266 -7.716 1.00 0.23 O ATOM 0 H SER A 423 -1.883 -0.366 -8.379 1.00 0.09 H new ATOM 0 HA SER A 423 -4.356 -1.945 -7.995 1.00 0.11 H new ATOM 0 HB2 SER A 423 -4.396 -0.137 -6.344 1.00 0.14 H new ATOM 0 HB3 SER A 423 -3.974 1.043 -7.568 1.00 0.14 H new ATOM 0 HG SER A 423 -6.249 0.977 -7.160 1.00 0.23 H new ATOM 1319 N ASP A 424 -4.338 -1.794 -10.433 1.00 0.16 N ATOM 1320 CA ASP A 424 -4.511 -1.726 -11.865 1.00 0.21 C ATOM 1321 C ASP A 424 -5.916 -1.256 -12.175 1.00 0.24 C ATOM 1322 O ASP A 424 -6.230 -0.814 -13.279 1.00 0.27 O ATOM 1323 CB ASP A 424 -4.228 -3.094 -12.473 1.00 0.24 C ATOM 1324 CG ASP A 424 -4.693 -3.225 -13.910 1.00 0.32 C ATOM 1325 OD1 ASP A 424 -4.008 -2.702 -14.814 1.00 0.42 O1- ATOM 1326 OD2 ASP A 424 -5.746 -3.857 -14.140 1.00 0.37 O ATOM 0 H ASP A 424 -4.429 -2.733 -10.044 1.00 0.16 H new ATOM 0 HA ASP A 424 -3.811 -1.013 -12.301 1.00 0.21 H new ATOM 0 HB2 ASP A 424 -3.156 -3.289 -12.427 1.00 0.24 H new ATOM 0 HB3 ASP A 424 -4.717 -3.859 -11.870 1.00 0.24 H new ATOM 1386 N GLU A 428 -6.789 6.583 -10.979 1.00 0.31 N ATOM 1387 CA GLU A 428 -6.339 7.805 -10.373 1.00 0.22 C ATOM 1388 C GLU A 428 -5.389 7.587 -9.222 1.00 0.21 C ATOM 1389 O GLU A 428 -5.435 6.583 -8.512 1.00 0.29 O ATOM 1390 CB GLU A 428 -7.503 8.577 -9.821 1.00 0.34 C ATOM 1391 CG GLU A 428 -8.368 7.741 -8.921 1.00 1.11 C ATOM 1392 CD GLU A 428 -9.466 7.005 -9.662 1.00 1.56 C ATOM 1393 OE1 GLU A 428 -9.885 7.480 -10.735 1.00 1.48 O ATOM 1394 OE2 GLU A 428 -9.927 5.963 -9.162 1.00 2.16 O1- ATOM 0 HA GLU A 428 -5.825 8.345 -11.168 1.00 0.22 H new ATOM 0 HB2 GLU A 428 -7.134 9.440 -9.267 1.00 0.34 H new ATOM 0 HB3 GLU A 428 -8.105 8.961 -10.645 1.00 0.34 H new ATOM 0 HG2 GLU A 428 -7.743 7.017 -8.398 1.00 1.11 H new ATOM 0 HG3 GLU A 428 -8.817 8.382 -8.162 1.00 1.11 H new ATOM 1401 N TYR A 429 -4.555 8.592 -9.057 1.00 0.17 N ATOM 1402 CA TYR A 429 -3.643 8.735 -7.949 1.00 0.14 C ATOM 1403 C TYR A 429 -3.235 10.176 -7.942 1.00 0.17 C ATOM 1404 O TYR A 429 -2.859 10.734 -8.975 1.00 0.21 O ATOM 1405 CB TYR A 429 -2.368 7.892 -7.997 1.00 0.12 C ATOM 1406 CG TYR A 429 -2.522 6.511 -8.566 1.00 0.13 C ATOM 1407 CD1 TYR A 429 -2.719 6.323 -9.927 1.00 0.18 C ATOM 1408 CD2 TYR A 429 -2.461 5.403 -7.748 1.00 0.15 C ATOM 1409 CE1 TYR A 429 -2.856 5.062 -10.455 1.00 0.25 C ATOM 1410 CE2 TYR A 429 -2.599 4.136 -8.268 1.00 0.20 C ATOM 1411 CZ TYR A 429 -2.797 3.974 -9.621 1.00 0.25 C ATOM 1412 OH TYR A 429 -2.921 2.717 -10.145 1.00 0.33 O ATOM 0 H TYR A 429 -4.494 9.363 -9.722 1.00 0.17 H new ATOM 0 HA TYR A 429 -4.172 8.387 -7.062 1.00 0.14 H new ATOM 0 HB2 TYR A 429 -1.623 8.427 -8.586 1.00 0.12 H new ATOM 0 HB3 TYR A 429 -1.973 7.806 -6.985 1.00 0.12 H new ATOM 0 HD1 TYR A 429 -2.765 7.181 -10.581 1.00 0.18 H new ATOM 0 HD2 TYR A 429 -2.303 5.531 -6.687 1.00 0.15 H new ATOM 0 HE1 TYR A 429 -3.009 4.928 -11.516 1.00 0.25 H new ATOM 0 HE2 TYR A 429 -2.552 3.274 -7.619 1.00 0.20 H new ATOM 0 HH TYR A 429 -3.685 2.264 -9.730 1.00 0.33 H new ATOM 1422 N GLY A 430 -3.333 10.779 -6.814 1.00 0.15 N ATOM 1423 CA GLY A 430 -2.980 12.166 -6.711 1.00 0.17 C ATOM 1424 C GLY A 430 -3.420 12.727 -5.411 1.00 0.17 C ATOM 1425 O GLY A 430 -3.584 11.975 -4.452 1.00 0.16 O ATOM 0 H GLY A 430 -3.652 10.346 -5.947 1.00 0.15 H new ATOM 0 HA2 GLY A 430 -1.901 12.280 -6.815 1.00 0.17 H new ATOM 0 HA3 GLY A 430 -3.439 12.724 -7.527 1.00 0.17 H new ATOM 1429 N GLY A 431 -3.554 14.046 -5.357 1.00 0.19 N ATOM 1430 CA GLY A 431 -4.221 14.663 -4.238 1.00 0.21 C ATOM 1431 C GLY A 431 -5.490 13.945 -3.890 1.00 0.19 C ATOM 1432 O GLY A 431 -5.978 13.099 -4.646 1.00 0.18 O ATOM 0 H GLY A 431 -3.213 14.693 -6.067 1.00 0.19 H new ATOM 0 HA2 GLY A 431 -3.556 14.668 -3.374 1.00 0.21 H new ATOM 0 HA3 GLY A 431 -4.444 15.703 -4.475 1.00 0.21 H new ATOM 1436 N ASP A 432 -6.081 14.375 -2.819 1.00 0.21 N ATOM 1437 CA ASP A 432 -6.925 13.522 -2.028 1.00 0.21 C ATOM 1438 C ASP A 432 -8.005 12.808 -2.831 1.00 0.18 C ATOM 1439 O ASP A 432 -9.031 13.359 -3.218 1.00 0.23 O ATOM 1440 CB ASP A 432 -7.537 14.377 -0.935 1.00 0.25 C ATOM 1441 CG ASP A 432 -8.367 15.546 -1.447 1.00 1.10 C ATOM 1442 OD1 ASP A 432 -7.771 16.535 -1.930 1.00 1.14 O ATOM 1443 OD2 ASP A 432 -9.608 15.501 -1.333 1.00 1.85 O1- ATOM 0 H ASP A 432 -5.994 15.328 -2.465 1.00 0.21 H new ATOM 0 HA ASP A 432 -6.314 12.721 -1.613 1.00 0.21 H new ATOM 0 HB2 ASP A 432 -8.166 13.747 -0.306 1.00 0.25 H new ATOM 0 HB3 ASP A 432 -6.738 14.763 -0.301 1.00 0.25 H new ATOM 1448 N LEU A 433 -7.696 11.538 -3.082 1.00 0.14 N ATOM 1449 CA LEU A 433 -8.629 10.573 -3.630 1.00 0.13 C ATOM 1450 C LEU A 433 -9.252 9.775 -2.504 1.00 0.12 C ATOM 1451 O LEU A 433 -10.403 9.410 -2.550 1.00 0.14 O ATOM 1452 CB LEU A 433 -7.935 9.584 -4.577 1.00 0.15 C ATOM 1453 CG LEU A 433 -7.771 9.947 -6.029 1.00 0.39 C ATOM 1454 CD1 LEU A 433 -8.239 11.327 -6.332 1.00 1.21 C ATOM 1455 CD2 LEU A 433 -6.370 9.727 -6.450 1.00 1.08 C ATOM 0 H LEU A 433 -6.770 11.149 -2.904 1.00 0.14 H new ATOM 0 HA LEU A 433 -9.383 11.130 -4.186 1.00 0.13 H new ATOM 0 HB2 LEU A 433 -6.942 9.387 -4.174 1.00 0.15 H new ATOM 0 HB3 LEU A 433 -8.488 8.646 -4.534 1.00 0.15 H new ATOM 0 HG LEU A 433 -8.413 9.288 -6.613 1.00 0.39 H new ATOM 0 HD11 LEU A 433 -8.097 11.535 -7.393 1.00 1.21 H new ATOM 0 HD12 LEU A 433 -9.297 11.415 -6.083 1.00 1.21 H new ATOM 0 HD13 LEU A 433 -7.667 12.043 -5.742 1.00 1.21 H new ATOM 0 HD21 LEU A 433 -6.260 9.992 -7.502 1.00 1.08 H new ATOM 0 HD22 LEU A 433 -5.707 10.349 -5.848 1.00 1.08 H new ATOM 0 HD23 LEU A 433 -6.109 8.678 -6.311 1.00 1.08 H new ATOM 1467 N TRP A 434 -8.439 9.488 -1.498 1.00 0.10 N ATOM 1468 CA TRP A 434 -8.806 8.567 -0.420 1.00 0.10 C ATOM 1469 C TRP A 434 -10.116 8.951 0.249 1.00 0.11 C ATOM 1470 O TRP A 434 -10.821 8.105 0.784 1.00 0.15 O ATOM 1471 CB TRP A 434 -7.665 8.505 0.603 1.00 0.10 C ATOM 1472 CG TRP A 434 -7.395 9.818 1.236 1.00 0.10 C ATOM 1473 CD1 TRP A 434 -6.543 10.786 0.798 1.00 0.11 C ATOM 1474 CD2 TRP A 434 -8.004 10.309 2.422 1.00 0.12 C ATOM 1475 NE1 TRP A 434 -6.648 11.890 1.613 1.00 0.13 N ATOM 1476 CE2 TRP A 434 -7.524 11.605 2.629 1.00 0.13 C ATOM 1477 CE3 TRP A 434 -8.927 9.778 3.321 1.00 0.13 C ATOM 1478 CZ2 TRP A 434 -7.945 12.380 3.698 1.00 0.16 C ATOM 1479 CZ3 TRP A 434 -9.336 10.548 4.379 1.00 0.14 C ATOM 1480 CH2 TRP A 434 -8.849 11.839 4.558 1.00 0.16 C ATOM 0 H TRP A 434 -7.504 9.885 -1.401 1.00 0.10 H new ATOM 0 HA TRP A 434 -8.962 7.580 -0.855 1.00 0.10 H new ATOM 0 HB2 TRP A 434 -7.914 7.778 1.376 1.00 0.10 H new ATOM 0 HB3 TRP A 434 -6.760 8.150 0.111 1.00 0.10 H new ATOM 0 HD1 TRP A 434 -5.887 10.701 -0.056 1.00 0.11 H new ATOM 0 HE1 TRP A 434 -6.156 12.774 1.483 1.00 0.13 H new ATOM 0 HE3 TRP A 434 -9.313 8.778 3.187 1.00 0.13 H new ATOM 0 HZ2 TRP A 434 -7.567 13.381 3.843 1.00 0.16 H new ATOM 0 HZ3 TRP A 434 -10.048 10.146 5.085 1.00 0.14 H new ATOM 0 HH2 TRP A 434 -9.196 12.424 5.397 1.00 0.16 H new ATOM 1491 N LYS A 435 -10.435 10.231 0.213 1.00 0.12 N ATOM 1492 CA LYS A 435 -11.626 10.732 0.860 1.00 0.14 C ATOM 1493 C LYS A 435 -12.822 10.748 -0.064 1.00 0.17 C ATOM 1494 O LYS A 435 -13.961 10.566 0.358 1.00 0.20 O ATOM 1495 CB LYS A 435 -11.355 12.131 1.366 1.00 0.15 C ATOM 1496 CG LYS A 435 -10.034 12.646 0.882 1.00 0.15 C ATOM 1497 CD LYS A 435 -9.706 13.985 1.447 1.00 0.17 C ATOM 1498 CE LYS A 435 -10.313 14.193 2.808 1.00 0.18 C ATOM 1499 NZ LYS A 435 -9.993 15.526 3.382 1.00 0.22 N1+ ATOM 0 H LYS A 435 -9.880 10.944 -0.261 1.00 0.12 H new ATOM 0 HA LYS A 435 -11.867 10.061 1.685 1.00 0.14 H new ATOM 0 HB2 LYS A 435 -12.150 12.799 1.035 1.00 0.15 H new ATOM 0 HB3 LYS A 435 -11.370 12.134 2.456 1.00 0.15 H new ATOM 0 HG2 LYS A 435 -9.250 11.939 1.152 1.00 0.15 H new ATOM 0 HG3 LYS A 435 -10.047 12.707 -0.206 1.00 0.15 H new ATOM 0 HD2 LYS A 435 -8.623 14.094 1.514 1.00 0.17 H new ATOM 0 HD3 LYS A 435 -10.063 14.761 0.770 1.00 0.17 H new ATOM 0 HE2 LYS A 435 -11.395 14.082 2.739 1.00 0.18 H new ATOM 0 HE3 LYS A 435 -9.955 13.416 3.483 1.00 0.18 H new ATOM 0 HZ1 LYS A 435 -10.436 15.616 4.319 1.00 0.22 H new ATOM 0 HZ2 LYS A 435 -8.962 15.625 3.475 1.00 0.22 H new ATOM 0 HZ3 LYS A 435 -10.357 16.271 2.754 1.00 0.22 H new ATOM 1513 N THR A 436 -12.546 11.001 -1.314 1.00 0.16 N ATOM 1514 CA THR A 436 -13.586 11.134 -2.318 1.00 0.19 C ATOM 1515 C THR A 436 -13.863 9.800 -2.996 1.00 0.19 C ATOM 1516 O THR A 436 -15.011 9.409 -3.208 1.00 0.22 O ATOM 1517 CB THR A 436 -13.151 12.182 -3.359 1.00 0.23 C ATOM 1518 OG1 THR A 436 -12.347 11.585 -4.380 1.00 0.25 O ATOM 1519 CG2 THR A 436 -12.328 13.239 -2.670 1.00 0.21 C ATOM 0 H THR A 436 -11.599 11.122 -1.673 1.00 0.16 H new ATOM 0 HA THR A 436 -14.507 11.458 -1.833 1.00 0.19 H new ATOM 0 HB THR A 436 -14.045 12.611 -3.813 1.00 0.23 H new ATOM 0 HG1 THR A 436 -12.084 12.269 -5.031 1.00 0.25 H new ATOM 0 HG21 THR A 436 -12.014 13.987 -3.398 1.00 0.21 H new ATOM 0 HG22 THR A 436 -12.925 13.716 -1.893 1.00 0.21 H new ATOM 0 HG23 THR A 436 -11.448 12.779 -2.220 1.00 0.21 H new ATOM 1527 N ARG A 437 -12.789 9.106 -3.307 1.00 0.18 N ATOM 1528 CA ARG A 437 -12.849 7.829 -3.985 1.00 0.20 C ATOM 1529 C ARG A 437 -12.857 6.713 -2.961 1.00 0.20 C ATOM 1530 O ARG A 437 -13.257 5.589 -3.252 1.00 0.24 O ATOM 1531 CB ARG A 437 -11.621 7.723 -4.879 1.00 0.24 C ATOM 1532 CG ARG A 437 -11.190 9.033 -5.403 1.00 0.27 C ATOM 1533 CD ARG A 437 -10.546 8.886 -6.740 1.00 0.40 C ATOM 1534 NE ARG A 437 -11.532 8.767 -7.810 1.00 0.71 N ATOM 1535 CZ ARG A 437 -11.556 9.531 -8.903 1.00 1.26 C ATOM 1536 NH1 ARG A 437 -10.646 10.481 -9.076 1.00 1.82 N1+ ATOM 1537 NH2 ARG A 437 -12.498 9.346 -9.819 1.00 1.47 N ATOM 0 H ARG A 437 -11.841 9.416 -3.094 1.00 0.18 H new ATOM 0 HA ARG A 437 -13.756 7.747 -4.585 1.00 0.20 H new ATOM 0 HB2 ARG A 437 -10.803 7.273 -4.316 1.00 0.24 H new ATOM 0 HB3 ARG A 437 -11.839 7.055 -5.713 1.00 0.24 H new ATOM 0 HG2 ARG A 437 -12.050 9.699 -5.480 1.00 0.27 H new ATOM 0 HG3 ARG A 437 -10.490 9.495 -4.707 1.00 0.27 H new ATOM 0 HD2 ARG A 437 -9.906 9.747 -6.931 1.00 0.40 H new ATOM 0 HD3 ARG A 437 -9.904 8.005 -6.739 1.00 0.40 H new ATOM 0 HE ARG A 437 -12.252 8.051 -7.715 1.00 0.71 H new ATOM 0 HH11 ARG A 437 -9.924 10.630 -8.371 1.00 1.82 H new ATOM 0 HH12 ARG A 437 -10.669 11.063 -9.914 1.00 1.82 H new ATOM 0 HH21 ARG A 437 -13.202 8.620 -9.687 1.00 1.47 H new ATOM 0 HH22 ARG A 437 -12.518 9.930 -10.655 1.00 1.47 H new ATOM 1551 N GLY A 438 -12.419 7.062 -1.753 1.00 0.17 N ATOM 1552 CA GLY A 438 -12.687 6.253 -0.582 1.00 0.18 C ATOM 1553 C GLY A 438 -12.293 4.797 -0.706 1.00 0.21 C ATOM 1554 O GLY A 438 -13.106 3.923 -0.399 1.00 0.24 O ATOM 0 H GLY A 438 -11.875 7.905 -1.567 1.00 0.17 H new ATOM 0 HA2 GLY A 438 -12.159 6.685 0.268 1.00 0.18 H new ATOM 0 HA3 GLY A 438 -13.752 6.308 -0.357 1.00 0.18 H new ATOM 1558 N SER A 439 -11.080 4.500 -1.146 1.00 0.22 N ATOM 1559 CA SER A 439 -10.748 3.118 -1.426 1.00 0.27 C ATOM 1560 C SER A 439 -10.354 2.380 -0.152 1.00 0.27 C ATOM 1561 O SER A 439 -9.288 2.618 0.414 1.00 0.27 O ATOM 1562 CB SER A 439 -9.598 3.030 -2.429 1.00 0.31 C ATOM 1563 OG SER A 439 -9.847 3.820 -3.581 1.00 1.01 O ATOM 0 H SER A 439 -10.333 5.175 -1.312 1.00 0.22 H new ATOM 0 HA SER A 439 -11.636 2.650 -1.850 1.00 0.27 H new ATOM 0 HB2 SER A 439 -8.674 3.360 -1.954 1.00 0.31 H new ATOM 0 HB3 SER A 439 -9.451 1.991 -2.725 1.00 0.31 H new ATOM 0 HG SER A 439 -9.092 3.742 -4.200 1.00 1.01 H new ATOM 1569 N HIS A 440 -11.233 1.459 0.252 1.00 0.29 N ATOM 1570 CA HIS A 440 -11.022 0.568 1.398 1.00 0.32 C ATOM 1571 C HIS A 440 -10.337 1.260 2.585 1.00 0.28 C ATOM 1572 O HIS A 440 -10.767 2.334 3.020 1.00 0.34 O ATOM 1573 CB HIS A 440 -10.245 -0.677 0.962 1.00 0.36 C ATOM 1574 CG HIS A 440 -11.069 -1.676 0.213 1.00 0.40 C ATOM 1575 ND1 HIS A 440 -12.283 -2.122 0.673 1.00 0.45 N ATOM 1576 CD2 HIS A 440 -10.850 -2.327 -0.958 1.00 0.42 C ATOM 1577 CE1 HIS A 440 -12.781 -2.994 -0.169 1.00 0.50 C ATOM 1578 NE2 HIS A 440 -11.937 -3.139 -1.176 1.00 0.48 N ATOM 0 H HIS A 440 -12.127 1.308 -0.216 1.00 0.29 H new ATOM 0 HA HIS A 440 -12.008 0.270 1.755 1.00 0.32 H new ATOM 0 HB2 HIS A 440 -9.407 -0.369 0.336 1.00 0.36 H new ATOM 0 HB3 HIS A 440 -9.823 -1.158 1.845 1.00 0.36 H new ATOM 0 HD2 HIS A 440 -9.985 -2.226 -1.597 1.00 0.42 H new ATOM 0 HE1 HIS A 440 -13.724 -3.509 -0.059 1.00 0.50 H new ATOM 0 HE2 HIS A 440 -12.070 -3.751 -1.981 1.00 0.48 H new ATOM 1587 N GLY A 441 -9.284 0.635 3.110 1.00 0.23 N ATOM 1588 CA GLY A 441 -8.597 1.162 4.272 1.00 0.22 C ATOM 1589 C GLY A 441 -7.123 1.422 4.029 1.00 0.17 C ATOM 1590 O GLY A 441 -6.510 2.226 4.735 1.00 0.26 O ATOM 0 H GLY A 441 -8.894 -0.234 2.745 1.00 0.23 H new ATOM 0 HA2 GLY A 441 -9.077 2.091 4.579 1.00 0.22 H new ATOM 0 HA3 GLY A 441 -8.704 0.459 5.099 1.00 0.22 H new ATOM 1594 N CYS A 442 -6.542 0.751 3.039 1.00 0.10 N ATOM 1595 CA CYS A 442 -5.114 0.831 2.824 1.00 0.15 C ATOM 1596 C CYS A 442 -4.728 1.744 1.668 1.00 0.13 C ATOM 1597 O CYS A 442 -5.507 2.579 1.228 1.00 0.21 O ATOM 1598 CB CYS A 442 -4.512 -0.550 2.602 1.00 0.24 C ATOM 1599 SG CYS A 442 -5.117 -1.379 1.119 1.00 0.35 S ATOM 0 H CYS A 442 -7.040 0.152 2.381 1.00 0.10 H new ATOM 0 HA CYS A 442 -4.706 1.268 3.735 1.00 0.15 H new ATOM 0 HB2 CYS A 442 -3.428 -0.457 2.538 1.00 0.24 H new ATOM 0 HB3 CYS A 442 -4.728 -1.174 3.469 1.00 0.24 H new ATOM 0 HG CYS A 442 -4.274 -2.302 0.763 1.00 0.35 H new ATOM 1604 N ILE A 443 -3.478 1.618 1.239 1.00 0.09 N ATOM 1605 CA ILE A 443 -2.917 2.476 0.207 1.00 0.07 C ATOM 1606 C ILE A 443 -3.078 1.843 -1.165 1.00 0.08 C ATOM 1607 O ILE A 443 -2.811 0.657 -1.347 1.00 0.12 O ATOM 1608 CB ILE A 443 -1.416 2.762 0.468 1.00 0.07 C ATOM 1609 CG1 ILE A 443 -1.205 3.707 1.664 1.00 0.09 C ATOM 1610 CG2 ILE A 443 -0.749 3.352 -0.771 1.00 0.07 C ATOM 1611 CD1 ILE A 443 -1.612 3.145 3.011 1.00 0.11 C ATOM 0 H ILE A 443 -2.827 0.919 1.597 1.00 0.09 H new ATOM 0 HA ILE A 443 -3.464 3.419 0.236 1.00 0.07 H new ATOM 0 HB ILE A 443 -0.954 1.804 0.706 1.00 0.07 H new ATOM 0 HG12 ILE A 443 -0.151 3.983 1.707 1.00 0.09 H new ATOM 0 HG13 ILE A 443 -1.767 4.624 1.486 1.00 0.09 H new ATOM 0 HG21 ILE A 443 0.303 3.543 -0.561 1.00 0.07 H new ATOM 0 HG22 ILE A 443 -0.832 2.648 -1.599 1.00 0.07 H new ATOM 0 HG23 ILE A 443 -1.241 4.287 -1.039 1.00 0.07 H new ATOM 0 HD11 ILE A 443 -1.424 3.887 3.787 1.00 0.11 H new ATOM 0 HD12 ILE A 443 -2.673 2.897 2.996 1.00 0.11 H new ATOM 0 HD13 ILE A 443 -1.032 2.246 3.221 1.00 0.11 H new ATOM 1623 N ASN A 444 -3.521 2.637 -2.123 1.00 0.08 N ATOM 1624 CA ASN A 444 -3.713 2.150 -3.481 1.00 0.08 C ATOM 1625 C ASN A 444 -2.639 2.719 -4.398 1.00 0.07 C ATOM 1626 O ASN A 444 -2.727 3.855 -4.859 1.00 0.11 O ATOM 1627 CB ASN A 444 -5.114 2.491 -3.991 1.00 0.11 C ATOM 1628 CG ASN A 444 -6.194 1.559 -3.452 1.00 0.27 C ATOM 1629 OD1 ASN A 444 -7.173 1.268 -4.136 1.00 0.62 O ATOM 1630 ND2 ASN A 444 -6.021 1.065 -2.236 1.00 0.15 N ATOM 0 H ASN A 444 -3.755 3.621 -1.988 1.00 0.08 H new ATOM 0 HA ASN A 444 -3.621 1.064 -3.478 1.00 0.08 H new ATOM 0 HB2 ASN A 444 -5.356 3.516 -3.711 1.00 0.11 H new ATOM 0 HB3 ASN A 444 -5.117 2.449 -5.080 1.00 0.11 H new ATOM 0 HD21 ASN A 444 -6.711 0.424 -1.843 1.00 0.15 H new ATOM 0 HD22 ASN A 444 -5.198 1.325 -1.692 1.00 0.15 H new ATOM 1637 N THR A 445 -1.613 1.919 -4.608 1.00 0.08 N ATOM 1638 CA THR A 445 -0.445 2.281 -5.369 1.00 0.08 C ATOM 1639 C THR A 445 -0.545 1.877 -6.834 1.00 0.08 C ATOM 1640 O THR A 445 -1.140 0.876 -7.169 1.00 0.10 O ATOM 1641 CB THR A 445 0.744 1.583 -4.715 1.00 0.06 C ATOM 1642 OG1 THR A 445 0.644 1.674 -3.286 1.00 0.09 O ATOM 1643 CG2 THR A 445 2.022 2.196 -5.150 1.00 0.06 C ATOM 0 H THR A 445 -1.573 0.969 -4.239 1.00 0.08 H new ATOM 0 HA THR A 445 -0.336 3.366 -5.363 1.00 0.08 H new ATOM 0 HB THR A 445 0.729 0.537 -5.021 1.00 0.06 H new ATOM 0 HG1 THR A 445 1.522 1.895 -2.910 1.00 0.09 H new ATOM 0 HG21 THR A 445 2.854 1.681 -4.670 1.00 0.06 H new ATOM 0 HG22 THR A 445 2.117 2.110 -6.232 1.00 0.06 H new ATOM 0 HG23 THR A 445 2.035 3.249 -4.868 1.00 0.06 H new ATOM 1651 N PRO A 446 0.020 2.707 -7.721 1.00 0.08 N ATOM 1652 CA PRO A 446 0.108 2.433 -9.161 1.00 0.10 C ATOM 1653 C PRO A 446 0.687 1.078 -9.478 1.00 0.14 C ATOM 1654 O PRO A 446 1.581 0.579 -8.790 1.00 0.24 O ATOM 1655 CB PRO A 446 1.031 3.539 -9.663 1.00 0.10 C ATOM 1656 CG PRO A 446 0.830 4.654 -8.712 1.00 0.08 C ATOM 1657 CD PRO A 446 0.584 4.020 -7.383 1.00 0.07 C ATOM 0 HA PRO A 446 -0.877 2.420 -9.628 1.00 0.10 H new ATOM 0 HB2 PRO A 446 2.071 3.212 -9.676 1.00 0.10 H new ATOM 0 HB3 PRO A 446 0.777 3.836 -10.681 1.00 0.10 H new ATOM 0 HG2 PRO A 446 1.706 5.302 -8.679 1.00 0.08 H new ATOM 0 HG3 PRO A 446 -0.015 5.275 -9.011 1.00 0.08 H new ATOM 0 HD2 PRO A 446 1.506 3.924 -6.809 1.00 0.07 H new ATOM 0 HD3 PRO A 446 -0.107 4.609 -6.780 1.00 0.07 H new ATOM 1665 N PRO A 447 0.184 0.473 -10.550 1.00 0.12 N ATOM 1666 CA PRO A 447 0.574 -0.862 -10.956 1.00 0.12 C ATOM 1667 C PRO A 447 2.036 -0.933 -11.384 1.00 0.14 C ATOM 1668 O PRO A 447 2.686 -1.975 -11.277 1.00 0.31 O ATOM 1669 CB PRO A 447 -0.334 -1.148 -12.141 1.00 0.15 C ATOM 1670 CG PRO A 447 -1.452 -0.204 -11.991 1.00 0.14 C ATOM 1671 CD PRO A 447 -0.822 1.031 -11.464 1.00 0.13 C ATOM 0 HA PRO A 447 0.478 -1.579 -10.141 1.00 0.12 H new ATOM 0 HB2 PRO A 447 0.188 -0.996 -13.086 1.00 0.15 H new ATOM 0 HB3 PRO A 447 -0.683 -2.180 -12.132 1.00 0.15 H new ATOM 0 HG2 PRO A 447 -1.949 -0.021 -12.944 1.00 0.14 H new ATOM 0 HG3 PRO A 447 -2.208 -0.588 -11.306 1.00 0.14 H new ATOM 0 HD2 PRO A 447 -0.371 1.632 -12.254 1.00 0.13 H new ATOM 0 HD3 PRO A 447 -1.538 1.669 -10.947 1.00 0.13 H new ATOM 1679 N SER A 448 2.551 0.195 -11.837 1.00 0.12 N ATOM 1680 CA SER A 448 3.895 0.278 -12.373 1.00 0.11 C ATOM 1681 C SER A 448 4.947 0.269 -11.276 1.00 0.09 C ATOM 1682 O SER A 448 6.098 -0.073 -11.492 1.00 0.09 O ATOM 1683 CB SER A 448 4.013 1.563 -13.169 1.00 0.14 C ATOM 1684 OG SER A 448 3.667 2.687 -12.371 1.00 1.10 O ATOM 0 H SER A 448 2.047 1.082 -11.843 1.00 0.12 H new ATOM 0 HA SER A 448 4.070 -0.594 -13.003 1.00 0.11 H new ATOM 0 HB2 SER A 448 5.032 1.674 -13.539 1.00 0.14 H new ATOM 0 HB3 SER A 448 3.361 1.517 -14.041 1.00 0.14 H new ATOM 0 HG SER A 448 3.752 3.505 -12.904 1.00 1.10 H new ATOM 1690 N VAL A 449 4.548 0.701 -10.104 1.00 0.07 N ATOM 1691 CA VAL A 449 5.492 0.937 -9.032 1.00 0.06 C ATOM 1692 C VAL A 449 5.541 -0.190 -8.043 1.00 0.05 C ATOM 1693 O VAL A 449 6.601 -0.698 -7.736 1.00 0.05 O ATOM 1694 CB VAL A 449 5.163 2.251 -8.346 1.00 0.06 C ATOM 1695 CG1 VAL A 449 5.247 3.351 -9.363 1.00 0.08 C ATOM 1696 CG2 VAL A 449 3.799 2.188 -7.729 1.00 0.06 C ATOM 0 H VAL A 449 3.576 0.897 -9.866 1.00 0.07 H new ATOM 0 HA VAL A 449 6.487 0.995 -9.473 1.00 0.06 H new ATOM 0 HB VAL A 449 5.875 2.446 -7.544 1.00 0.06 H new ATOM 0 HG11 VAL A 449 5.014 4.304 -8.888 1.00 0.08 H new ATOM 0 HG12 VAL A 449 6.255 3.389 -9.776 1.00 0.08 H new ATOM 0 HG13 VAL A 449 4.533 3.161 -10.165 1.00 0.08 H new ATOM 0 HG21 VAL A 449 3.576 3.137 -7.241 1.00 0.06 H new ATOM 0 HG22 VAL A 449 3.057 1.996 -8.504 1.00 0.06 H new ATOM 0 HG23 VAL A 449 3.770 1.385 -6.992 1.00 0.06 H new ATOM 1706 N MET A 450 4.414 -0.616 -7.560 1.00 0.05 N ATOM 1707 CA MET A 450 4.410 -1.670 -6.574 1.00 0.05 C ATOM 1708 C MET A 450 4.902 -2.971 -7.188 1.00 0.05 C ATOM 1709 O MET A 450 5.059 -3.973 -6.492 1.00 0.06 O ATOM 1710 CB MET A 450 3.042 -1.811 -5.920 1.00 0.07 C ATOM 1711 CG MET A 450 2.983 -1.317 -4.479 1.00 0.06 C ATOM 1712 SD MET A 450 3.277 -2.617 -3.260 1.00 0.06 S ATOM 1713 CE MET A 450 2.965 -4.080 -4.219 1.00 0.05 C ATOM 0 H MET A 450 3.495 -0.261 -7.823 1.00 0.05 H new ATOM 0 HA MET A 450 5.104 -1.405 -5.776 1.00 0.05 H new ATOM 0 HB2 MET A 450 2.311 -1.260 -6.511 1.00 0.07 H new ATOM 0 HB3 MET A 450 2.746 -2.860 -5.945 1.00 0.07 H new ATOM 0 HG2 MET A 450 3.723 -0.528 -4.343 1.00 0.06 H new ATOM 0 HG3 MET A 450 2.005 -0.872 -4.295 1.00 0.06 H new ATOM 0 HE1 MET A 450 2.863 -4.937 -3.553 1.00 0.05 H new ATOM 0 HE2 MET A 450 2.045 -3.952 -4.789 1.00 0.05 H new ATOM 0 HE3 MET A 450 3.796 -4.250 -4.904 1.00 0.05 H new ATOM 1723 N LYS A 451 5.197 -2.949 -8.468 1.00 0.05 N ATOM 1724 CA LYS A 451 5.800 -4.096 -9.095 1.00 0.05 C ATOM 1725 C LYS A 451 7.287 -4.073 -8.795 1.00 0.05 C ATOM 1726 O LYS A 451 7.919 -5.090 -8.491 1.00 0.06 O ATOM 1727 CB LYS A 451 5.573 -4.054 -10.587 1.00 0.06 C ATOM 1728 CG LYS A 451 6.333 -2.966 -11.203 1.00 0.06 C ATOM 1729 CD LYS A 451 6.136 -2.909 -12.668 1.00 0.08 C ATOM 1730 CE LYS A 451 7.204 -2.053 -13.256 1.00 0.10 C ATOM 1731 NZ LYS A 451 8.511 -2.754 -13.354 1.00 0.92 N1+ ATOM 0 H LYS A 451 5.030 -2.156 -9.088 1.00 0.05 H new ATOM 0 HA LYS A 451 5.352 -5.011 -8.708 1.00 0.05 H new ATOM 0 HB2 LYS A 451 5.868 -5.005 -11.030 1.00 0.06 H new ATOM 0 HB3 LYS A 451 4.511 -3.923 -10.793 1.00 0.06 H new ATOM 0 HG2 LYS A 451 6.031 -2.017 -10.760 1.00 0.06 H new ATOM 0 HG3 LYS A 451 7.393 -3.096 -10.985 1.00 0.06 H new ATOM 0 HD2 LYS A 451 6.176 -3.911 -13.095 1.00 0.08 H new ATOM 0 HD3 LYS A 451 5.152 -2.502 -12.902 1.00 0.08 H new ATOM 0 HE2 LYS A 451 6.896 -1.726 -14.249 1.00 0.10 H new ATOM 0 HE3 LYS A 451 7.322 -1.156 -12.647 1.00 0.10 H new ATOM 0 HZ1 LYS A 451 9.238 -2.204 -12.853 1.00 0.92 H new ATOM 0 HZ2 LYS A 451 8.432 -3.697 -12.923 1.00 0.92 H new ATOM 0 HZ3 LYS A 451 8.778 -2.852 -14.354 1.00 0.92 H new ATOM 1745 N GLU A 452 7.794 -2.840 -8.829 1.00 0.05 N ATOM 1746 CA GLU A 452 9.166 -2.519 -8.641 1.00 0.05 C ATOM 1747 C GLU A 452 9.512 -2.938 -7.271 1.00 0.05 C ATOM 1748 O GLU A 452 10.549 -3.511 -6.984 1.00 0.06 O ATOM 1749 CB GLU A 452 9.270 -1.023 -8.701 1.00 0.05 C ATOM 1750 CG GLU A 452 8.819 -0.444 -9.997 1.00 0.07 C ATOM 1751 CD GLU A 452 9.938 -0.207 -10.984 1.00 0.12 C ATOM 1752 OE1 GLU A 452 10.683 0.778 -10.816 1.00 0.25 O1- ATOM 1753 OE2 GLU A 452 10.078 -1.002 -11.936 1.00 0.24 O ATOM 0 H GLU A 452 7.214 -2.018 -8.997 1.00 0.05 H new ATOM 0 HA GLU A 452 9.811 -2.994 -9.380 1.00 0.05 H new ATOM 0 HB2 GLU A 452 8.676 -0.593 -7.895 1.00 0.05 H new ATOM 0 HB3 GLU A 452 10.305 -0.732 -8.524 1.00 0.05 H new ATOM 0 HG2 GLU A 452 8.086 -1.113 -10.447 1.00 0.07 H new ATOM 0 HG3 GLU A 452 8.311 0.501 -9.804 1.00 0.07 H new ATOM 1760 N LEU A 453 8.593 -2.532 -6.438 1.00 0.04 N ATOM 1761 CA LEU A 453 8.516 -2.872 -5.078 1.00 0.04 C ATOM 1762 C LEU A 453 8.688 -4.323 -4.841 1.00 0.05 C ATOM 1763 O LEU A 453 9.652 -4.726 -4.222 1.00 0.05 O ATOM 1764 CB LEU A 453 7.147 -2.469 -4.608 1.00 0.04 C ATOM 1765 CG LEU A 453 7.138 -1.876 -3.262 1.00 0.04 C ATOM 1766 CD1 LEU A 453 8.317 -1.016 -3.119 1.00 0.03 C ATOM 1767 CD2 LEU A 453 5.931 -1.059 -3.037 1.00 0.05 C ATOM 0 H LEU A 453 7.836 -1.914 -6.730 1.00 0.04 H new ATOM 0 HA LEU A 453 9.317 -2.363 -4.541 1.00 0.04 H new ATOM 0 HB2 LEU A 453 6.725 -1.754 -5.314 1.00 0.04 H new ATOM 0 HB3 LEU A 453 6.497 -3.344 -4.615 1.00 0.04 H new ATOM 0 HG LEU A 453 7.147 -2.685 -2.532 1.00 0.04 H new ATOM 0 HD11 LEU A 453 8.323 -0.569 -2.125 1.00 0.03 H new ATOM 0 HD12 LEU A 453 9.220 -1.611 -3.255 1.00 0.03 H new ATOM 0 HD13 LEU A 453 8.285 -0.227 -3.871 1.00 0.03 H new ATOM 0 HD21 LEU A 453 5.959 -0.637 -2.032 1.00 0.05 H new ATOM 0 HD22 LEU A 453 5.896 -0.252 -3.769 1.00 0.05 H new ATOM 0 HD23 LEU A 453 5.044 -1.683 -3.144 1.00 0.05 H new ATOM 1779 N PHE A 454 7.750 -5.096 -5.311 1.00 0.05 N ATOM 1780 CA PHE A 454 7.855 -6.551 -5.213 1.00 0.06 C ATOM 1781 C PHE A 454 9.262 -6.993 -5.629 1.00 0.07 C ATOM 1782 O PHE A 454 9.776 -8.021 -5.182 1.00 0.09 O ATOM 1783 CB PHE A 454 6.787 -7.245 -6.078 1.00 0.07 C ATOM 1784 CG PHE A 454 6.942 -8.750 -6.169 1.00 0.08 C ATOM 1785 CD1 PHE A 454 7.840 -9.300 -7.075 1.00 0.11 C ATOM 1786 CD2 PHE A 454 6.212 -9.618 -5.354 1.00 0.09 C ATOM 1787 CE1 PHE A 454 8.015 -10.666 -7.166 1.00 0.13 C ATOM 1788 CE2 PHE A 454 6.386 -10.985 -5.453 1.00 0.12 C ATOM 1789 CZ PHE A 454 7.289 -11.509 -6.353 1.00 0.12 C ATOM 0 H PHE A 454 6.902 -4.759 -5.766 1.00 0.05 H new ATOM 0 HA PHE A 454 7.679 -6.845 -4.178 1.00 0.06 H new ATOM 0 HB2 PHE A 454 5.802 -7.017 -5.671 1.00 0.07 H new ATOM 0 HB3 PHE A 454 6.822 -6.826 -7.084 1.00 0.07 H new ATOM 0 HD1 PHE A 454 8.411 -8.648 -7.719 1.00 0.11 H new ATOM 0 HD2 PHE A 454 5.506 -9.218 -4.641 1.00 0.09 H new ATOM 0 HE1 PHE A 454 8.721 -11.074 -7.874 1.00 0.13 H new ATOM 0 HE2 PHE A 454 5.811 -11.647 -4.822 1.00 0.12 H new ATOM 0 HZ PHE A 454 7.427 -12.578 -6.421 1.00 0.12 H new ATOM 1799 N GLY A 455 9.899 -6.139 -6.425 1.00 0.06 N ATOM 1800 CA GLY A 455 11.197 -6.445 -6.966 1.00 0.08 C ATOM 1801 C GLY A 455 12.311 -5.998 -6.043 1.00 0.08 C ATOM 1802 O GLY A 455 13.404 -6.559 -6.070 1.00 0.13 O ATOM 0 H GLY A 455 9.527 -5.231 -6.703 1.00 0.06 H new ATOM 0 HA2 GLY A 455 11.276 -7.519 -7.137 1.00 0.08 H new ATOM 0 HA3 GLY A 455 11.311 -5.959 -7.935 1.00 0.08 H new ATOM 1806 N MET A 456 12.049 -4.968 -5.233 1.00 0.06 N ATOM 1807 CA MET A 456 13.035 -4.503 -4.283 1.00 0.05 C ATOM 1808 C MET A 456 12.775 -4.957 -2.879 1.00 0.05 C ATOM 1809 O MET A 456 13.699 -5.343 -2.166 1.00 0.06 O ATOM 1810 CB MET A 456 13.162 -3.006 -4.290 1.00 0.05 C ATOM 1811 CG MET A 456 11.881 -2.297 -4.451 1.00 0.04 C ATOM 1812 SD MET A 456 11.943 -1.116 -5.786 1.00 0.05 S ATOM 1813 CE MET A 456 10.489 -0.237 -5.334 1.00 0.04 C ATOM 0 H MET A 456 11.169 -4.452 -5.224 1.00 0.06 H new ATOM 0 HA MET A 456 13.970 -4.954 -4.617 1.00 0.05 H new ATOM 0 HB2 MET A 456 13.628 -2.687 -3.358 1.00 0.05 H new ATOM 0 HB3 MET A 456 13.832 -2.712 -5.098 1.00 0.05 H new ATOM 0 HG2 MET A 456 11.087 -3.019 -4.641 1.00 0.04 H new ATOM 0 HG3 MET A 456 11.630 -1.784 -3.523 1.00 0.04 H new ATOM 0 HE1 MET A 456 9.693 -0.461 -6.044 1.00 0.04 H new ATOM 0 HE2 MET A 456 10.178 -0.538 -4.334 1.00 0.04 H new ATOM 0 HE3 MET A 456 10.693 0.834 -5.344 1.00 0.04 H new ATOM 1823 N VAL A 457 11.545 -4.878 -2.456 1.00 0.05 N ATOM 1824 CA VAL A 457 11.222 -5.304 -1.125 1.00 0.05 C ATOM 1825 C VAL A 457 11.212 -6.793 -1.023 1.00 0.07 C ATOM 1826 O VAL A 457 10.935 -7.521 -1.980 1.00 0.08 O ATOM 1827 CB VAL A 457 9.913 -4.713 -0.577 1.00 0.05 C ATOM 1828 CG1 VAL A 457 9.161 -3.931 -1.625 1.00 0.04 C ATOM 1829 CG2 VAL A 457 9.037 -5.787 0.041 1.00 0.05 C ATOM 0 H VAL A 457 10.760 -4.528 -3.005 1.00 0.05 H new ATOM 0 HA VAL A 457 12.017 -4.907 -0.493 1.00 0.05 H new ATOM 0 HB VAL A 457 10.187 -4.011 0.211 1.00 0.05 H new ATOM 0 HG11 VAL A 457 8.243 -3.532 -1.193 1.00 0.04 H new ATOM 0 HG12 VAL A 457 9.782 -3.109 -1.980 1.00 0.04 H new ATOM 0 HG13 VAL A 457 8.914 -4.586 -2.460 1.00 0.04 H new ATOM 0 HG21 VAL A 457 8.120 -5.335 0.419 1.00 0.05 H new ATOM 0 HG22 VAL A 457 8.790 -6.534 -0.714 1.00 0.05 H new ATOM 0 HG23 VAL A 457 9.571 -6.264 0.862 1.00 0.05 H new ATOM 1839 N GLU A 458 11.546 -7.221 0.154 1.00 0.08 N ATOM 1840 CA GLU A 458 11.662 -8.597 0.447 1.00 0.10 C ATOM 1841 C GLU A 458 10.778 -8.904 1.628 1.00 0.09 C ATOM 1842 O GLU A 458 10.395 -8.005 2.369 1.00 0.10 O ATOM 1843 CB GLU A 458 13.115 -8.890 0.772 1.00 0.13 C ATOM 1844 CG GLU A 458 13.977 -7.658 0.697 1.00 0.20 C ATOM 1845 CD GLU A 458 15.366 -7.865 1.253 1.00 0.27 C ATOM 1846 OE1 GLU A 458 15.497 -8.126 2.465 1.00 0.46 O ATOM 1847 OE2 GLU A 458 16.337 -7.747 0.477 1.00 0.48 O1- ATOM 0 H GLU A 458 11.747 -6.607 0.944 1.00 0.08 H new ATOM 0 HA GLU A 458 11.354 -9.214 -0.397 1.00 0.10 H new ATOM 0 HB2 GLU A 458 13.182 -9.317 1.772 1.00 0.13 H new ATOM 0 HB3 GLU A 458 13.496 -9.640 0.079 1.00 0.13 H new ATOM 0 HG2 GLU A 458 14.053 -7.339 -0.343 1.00 0.20 H new ATOM 0 HG3 GLU A 458 13.491 -6.850 1.243 1.00 0.20 H new ATOM 1854 N LYS A 459 10.402 -10.162 1.759 1.00 0.11 N ATOM 1855 CA LYS A 459 9.699 -10.606 2.937 1.00 0.13 C ATOM 1856 C LYS A 459 10.537 -10.315 4.146 1.00 0.15 C ATOM 1857 O LYS A 459 11.475 -11.046 4.469 1.00 0.18 O ATOM 1858 CB LYS A 459 9.371 -12.084 2.880 1.00 0.16 C ATOM 1859 CG LYS A 459 8.474 -12.415 1.720 1.00 0.22 C ATOM 1860 CD LYS A 459 9.226 -13.075 0.595 1.00 0.70 C ATOM 1861 CE LYS A 459 9.674 -14.472 0.979 1.00 0.40 C ATOM 1862 NZ LYS A 459 10.358 -15.171 -0.141 1.00 0.99 N1+ ATOM 0 H LYS A 459 10.573 -10.889 1.064 1.00 0.11 H new ATOM 0 HA LYS A 459 8.754 -10.066 2.992 1.00 0.13 H new ATOM 0 HB2 LYS A 459 10.294 -12.658 2.800 1.00 0.16 H new ATOM 0 HB3 LYS A 459 8.888 -12.385 3.810 1.00 0.16 H new ATOM 0 HG2 LYS A 459 7.674 -13.074 2.057 1.00 0.22 H new ATOM 0 HG3 LYS A 459 8.003 -11.503 1.355 1.00 0.22 H new ATOM 0 HD2 LYS A 459 8.592 -13.124 -0.290 1.00 0.70 H new ATOM 0 HD3 LYS A 459 10.095 -12.471 0.331 1.00 0.70 H new ATOM 0 HE2 LYS A 459 10.348 -14.413 1.834 1.00 0.40 H new ATOM 0 HE3 LYS A 459 8.809 -15.055 1.295 1.00 0.40 H new ATOM 0 HZ1 LYS A 459 10.646 -16.121 0.167 1.00 0.99 H new ATOM 0 HZ2 LYS A 459 9.708 -15.251 -0.949 1.00 0.99 H new ATOM 0 HZ3 LYS A 459 11.199 -14.630 -0.426 1.00 0.99 H new ATOM 1876 N GLY A 460 10.162 -9.256 4.813 1.00 0.15 N ATOM 1877 CA GLY A 460 10.917 -8.786 5.952 1.00 0.19 C ATOM 1878 C GLY A 460 11.175 -7.301 5.871 1.00 0.15 C ATOM 1879 O GLY A 460 11.578 -6.675 6.847 1.00 0.17 O ATOM 0 H GLY A 460 9.337 -8.699 4.590 1.00 0.15 H new ATOM 0 HA2 GLY A 460 10.373 -9.012 6.869 1.00 0.19 H new ATOM 0 HA3 GLY A 460 11.866 -9.319 6.005 1.00 0.19 H new ATOM 1883 N THR A 461 10.956 -6.742 4.693 1.00 0.12 N ATOM 1884 CA THR A 461 10.976 -5.317 4.505 1.00 0.07 C ATOM 1885 C THR A 461 9.806 -4.714 5.262 1.00 0.08 C ATOM 1886 O THR A 461 8.789 -5.372 5.468 1.00 0.13 O ATOM 1887 CB THR A 461 10.889 -4.992 2.992 1.00 0.06 C ATOM 1888 OG1 THR A 461 12.117 -5.341 2.335 1.00 0.08 O ATOM 1889 CG2 THR A 461 10.570 -3.532 2.748 1.00 0.05 C ATOM 0 H THR A 461 10.760 -7.272 3.844 1.00 0.12 H new ATOM 0 HA THR A 461 11.904 -4.892 4.888 1.00 0.07 H new ATOM 0 HB THR A 461 10.075 -5.586 2.577 1.00 0.06 H new ATOM 0 HG1 THR A 461 12.340 -4.654 1.672 1.00 0.08 H new ATOM 0 HG21 THR A 461 10.518 -3.345 1.675 1.00 0.05 H new ATOM 0 HG22 THR A 461 9.612 -3.288 3.206 1.00 0.05 H new ATOM 0 HG23 THR A 461 11.351 -2.911 3.187 1.00 0.05 H new ATOM 1897 N PRO A 462 9.929 -3.491 5.757 1.00 0.09 N ATOM 1898 CA PRO A 462 8.860 -2.833 6.419 1.00 0.14 C ATOM 1899 C PRO A 462 8.109 -1.967 5.439 1.00 0.13 C ATOM 1900 O PRO A 462 8.597 -1.682 4.344 1.00 0.18 O ATOM 1901 CB PRO A 462 9.588 -1.993 7.475 1.00 0.18 C ATOM 1902 CG PRO A 462 11.043 -2.096 7.128 1.00 0.13 C ATOM 1903 CD PRO A 462 11.089 -2.618 5.742 1.00 0.09 C ATOM 0 HA PRO A 462 8.118 -3.502 6.854 1.00 0.14 H new ATOM 0 HB2 PRO A 462 9.251 -0.957 7.454 1.00 0.18 H new ATOM 0 HB3 PRO A 462 9.395 -2.371 8.479 1.00 0.18 H new ATOM 0 HG2 PRO A 462 11.532 -1.124 7.197 1.00 0.13 H new ATOM 0 HG3 PRO A 462 11.563 -2.763 7.815 1.00 0.13 H new ATOM 0 HD2 PRO A 462 11.004 -1.827 4.997 1.00 0.09 H new ATOM 0 HD3 PRO A 462 12.013 -3.157 5.531 1.00 0.09 H new ATOM 1911 N VAL A 463 6.937 -1.554 5.801 1.00 0.09 N ATOM 1912 CA VAL A 463 6.242 -0.589 4.996 1.00 0.09 C ATOM 1913 C VAL A 463 5.854 0.549 5.883 1.00 0.08 C ATOM 1914 O VAL A 463 5.709 0.395 7.089 1.00 0.10 O ATOM 1915 CB VAL A 463 4.979 -1.123 4.309 1.00 0.19 C ATOM 1916 CG1 VAL A 463 5.222 -2.482 3.694 1.00 0.57 C ATOM 1917 CG2 VAL A 463 3.844 -1.151 5.297 1.00 0.54 C ATOM 0 H VAL A 463 6.442 -1.862 6.638 1.00 0.09 H new ATOM 0 HA VAL A 463 6.921 -0.296 4.195 1.00 0.09 H new ATOM 0 HB VAL A 463 4.709 -0.455 3.491 1.00 0.19 H new ATOM 0 HG11 VAL A 463 4.308 -2.833 3.215 1.00 0.57 H new ATOM 0 HG12 VAL A 463 6.016 -2.408 2.951 1.00 0.57 H new ATOM 0 HG13 VAL A 463 5.517 -3.186 4.472 1.00 0.57 H new ATOM 0 HG21 VAL A 463 2.946 -1.530 4.809 1.00 0.54 H new ATOM 0 HG22 VAL A 463 4.105 -1.800 6.133 1.00 0.54 H new ATOM 0 HG23 VAL A 463 3.658 -0.142 5.666 1.00 0.54 H new ATOM 1927 N LEU A 464 5.752 1.691 5.316 1.00 0.07 N ATOM 1928 CA LEU A 464 5.310 2.821 6.039 1.00 0.07 C ATOM 1929 C LEU A 464 4.311 3.551 5.231 1.00 0.07 C ATOM 1930 O LEU A 464 4.296 3.440 4.021 1.00 0.09 O ATOM 1931 CB LEU A 464 6.474 3.718 6.347 1.00 0.10 C ATOM 1932 CG LEU A 464 7.440 3.159 7.345 1.00 0.10 C ATOM 1933 CD1 LEU A 464 8.525 2.392 6.655 1.00 0.09 C ATOM 1934 CD2 LEU A 464 7.998 4.291 8.165 1.00 0.13 C ATOM 0 H LEU A 464 5.973 1.869 4.336 1.00 0.07 H new ATOM 0 HA LEU A 464 4.857 2.501 6.977 1.00 0.07 H new ATOM 0 HB2 LEU A 464 7.009 3.929 5.421 1.00 0.10 H new ATOM 0 HB3 LEU A 464 6.095 4.669 6.720 1.00 0.10 H new ATOM 0 HG LEU A 464 6.928 2.461 8.008 1.00 0.10 H new ATOM 0 HD11 LEU A 464 9.217 1.994 7.397 1.00 0.09 H new ATOM 0 HD12 LEU A 464 8.086 1.570 6.090 1.00 0.09 H new ATOM 0 HD13 LEU A 464 9.063 3.053 5.976 1.00 0.09 H new ATOM 0 HD21 LEU A 464 8.704 3.897 8.896 1.00 0.13 H new ATOM 0 HD22 LEU A 464 8.510 4.997 7.511 1.00 0.13 H new ATOM 0 HD23 LEU A 464 7.185 4.800 8.683 1.00 0.13 H new ATOM 1946 N VAL A 465 3.429 4.208 5.915 1.00 0.06 N ATOM 1947 CA VAL A 465 2.592 5.215 5.326 1.00 0.05 C ATOM 1948 C VAL A 465 2.502 6.316 6.349 1.00 0.08 C ATOM 1949 O VAL A 465 2.559 6.008 7.522 1.00 0.10 O ATOM 1950 CB VAL A 465 1.198 4.659 4.927 1.00 0.07 C ATOM 1951 CG1 VAL A 465 1.275 3.173 4.660 1.00 0.09 C ATOM 1952 CG2 VAL A 465 0.161 4.968 5.956 1.00 0.08 C ATOM 0 H VAL A 465 3.265 4.061 6.911 1.00 0.06 H new ATOM 0 HA VAL A 465 3.013 5.584 4.390 1.00 0.05 H new ATOM 0 HB VAL A 465 0.894 5.159 4.007 1.00 0.07 H new ATOM 0 HG11 VAL A 465 0.289 2.802 4.382 1.00 0.09 H new ATOM 0 HG12 VAL A 465 1.976 2.985 3.847 1.00 0.09 H new ATOM 0 HG13 VAL A 465 1.616 2.659 5.559 1.00 0.09 H new ATOM 0 HG21 VAL A 465 -0.799 4.562 5.638 1.00 0.08 H new ATOM 0 HG22 VAL A 465 0.448 4.520 6.907 1.00 0.08 H new ATOM 0 HG23 VAL A 465 0.077 6.048 6.074 1.00 0.08 H new ATOM 1962 N PHE A 466 2.486 7.573 5.920 1.00 0.10 N ATOM 1963 CA PHE A 466 2.428 8.717 6.829 1.00 0.15 C ATOM 1964 C PHE A 466 2.447 10.036 6.070 1.00 0.21 C ATOM 1965 O PHE A 466 1.383 10.422 5.554 1.00 1.09 O ATOM 1966 CB PHE A 466 3.553 8.659 7.880 1.00 0.17 C ATOM 1967 CG PHE A 466 4.957 8.448 7.351 1.00 0.20 C ATOM 1968 CD1 PHE A 466 5.377 7.199 6.923 1.00 0.14 C ATOM 1969 CD2 PHE A 466 5.842 9.508 7.260 1.00 0.36 C ATOM 1970 CE1 PHE A 466 6.652 7.013 6.419 1.00 0.20 C ATOM 1971 CE2 PHE A 466 7.122 9.323 6.758 1.00 0.41 C ATOM 1972 CZ PHE A 466 7.547 8.041 6.422 1.00 0.30 C ATOM 1973 OXT PHE A 466 3.508 10.682 6.007 1.00 1.06 O ATOM 0 H PHE A 466 2.513 7.830 4.933 1.00 0.10 H new ATOM 0 HA PHE A 466 1.478 8.660 7.361 1.00 0.15 H new ATOM 0 HB2 PHE A 466 3.538 9.589 8.449 1.00 0.17 H new ATOM 0 HB3 PHE A 466 3.327 7.854 8.579 1.00 0.17 H new ATOM 0 HD1 PHE A 466 4.700 6.360 6.984 1.00 0.14 H new ATOM 0 HD2 PHE A 466 5.533 10.491 7.584 1.00 0.36 H new ATOM 0 HE1 PHE A 466 6.939 6.050 6.022 1.00 0.20 H new ATOM 0 HE2 PHE A 466 7.783 10.167 6.629 1.00 0.41 H new ATOM 0 HZ PHE A 466 8.581 7.862 6.165 1.00 0.30 H new