USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 817 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 411 MET CE :methyl -105:sc= -2.81 (180deg=-4.7!) USER MOD Set 1.2: A 450 MET CE :methyl -166:sc= -5.15! (180deg=-6.31!) USER MOD Set 2.1: A 421 HIS : +bothHN:sc= -1.21 K(o=-2.8,f=-4.8) USER MOD Set 2.2: A 442 CYS SG : rot -170:sc= -1.34 USER MOD Set 2.3: A 444 ASN :FLIP amide:sc= -0.217 F(o=-5.9,f=-2.8) USER MOD Set 3.1: A 370 SER OG : rot -50:sc= -2.6! USER MOD Set 3.2: A 377 THR OG1 : rot 90:sc= 1.31 USER MOD Set 4.1: A 356 TYR OH : rot -29:sc= -0.515 USER MOD Set 4.2: A 358 LYS NZ :NH3+ 180:sc= 1.28 (180deg=0.0676) USER MOD Single : A 343 THR OG1 : rot -5:sc= 0.933 USER MOD Single : A 344 TYR OH : rot 93:sc= 0.631 USER MOD Single : A 351 ASN : amide:sc= -1.82! X(o=-1.8!,f=-1.4) USER MOD Single : A 352 GLN : amide:sc= -2.65! C(o=-2.7!,f=-5.2!) USER MOD Single : A 353 HIS : no HE2:sc= -6.93! C(o=-6.9!,f=-6.8!) USER MOD Single : A 354 MET CE :methyl -126:sc= -5.32! (180deg=-6.05!) USER MOD Single : A 357 TYR OH : rot 38:sc= 0.634 USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 40:sc= -5.88! USER MOD Single : A 372 LYS NZ :NH3+ 156:sc= 0.79 (180deg=0.432) USER MOD Single : A 374 THR OG1 : rot 180:sc= -2.3! USER MOD Single : A 375 THR OG1 : rot 180:sc=-0.00376 USER MOD Single : A 383 TYR OH : rot -94:sc= 0.578 USER MOD Single : A 386 ASN : amide:sc= -1.96! X(o=-2!,f=-1.5) USER MOD Single : A 387 LYS NZ :NH3+ -124:sc= 1.78 (180deg=-0.0659) 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= -0.267 USER MOD Single : A 408 ASN :FLIP amide:sc= -0.329 F(o=-3.1!,f=-0.33) USER MOD Single : A 409 TYR OH : rot -144:sc= 0.0248 USER MOD Single : A 423 SER OG : rot 180:sc= 0 USER MOD Single : A 429 TYR OH : rot -132:sc= -3.45! USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot 180:sc= -2.04! USER MOD Single : A 439 SER OG : rot 180:sc= 0 USER MOD Single : A 440 HIS : no HD1:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 445 THR OG1 : rot -135:sc= 0.714 USER MOD Single : A 448 SER OG : rot 180:sc= -0.176 USER MOD Single : A 451 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 MET CE :methyl -107:sc= -20.7! (180deg=-29.2!) USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 THR OG1 : rot -10:sc= -0.316 USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 342 18.223 0.728 6.271 1.00 0.24 N ATOM 61 CA ASP A 342 17.426 1.690 5.545 1.00 0.20 C ATOM 62 C ASP A 342 16.961 1.094 4.237 1.00 0.17 C ATOM 63 O ASP A 342 17.577 1.291 3.190 1.00 0.19 O ATOM 64 CB ASP A 342 18.207 2.974 5.267 1.00 0.22 C ATOM 65 CG ASP A 342 18.881 3.534 6.501 1.00 0.31 C ATOM 66 OD1 ASP A 342 18.194 4.184 7.317 1.00 0.39 O ATOM 67 OD2 ASP A 342 20.103 3.325 6.666 1.00 0.43 O1- ATOM 0 HA ASP A 342 16.566 1.941 6.166 1.00 0.20 H new ATOM 0 HB2 ASP A 342 18.961 2.776 4.506 1.00 0.22 H new ATOM 0 HB3 ASP A 342 17.530 3.724 4.858 1.00 0.22 H new ATOM 72 N THR A 343 15.868 0.366 4.324 1.00 0.13 N ATOM 73 CA THR A 343 15.117 -0.089 3.178 1.00 0.10 C ATOM 74 C THR A 343 13.705 -0.410 3.609 1.00 0.08 C ATOM 75 O THR A 343 13.509 -1.057 4.640 1.00 0.10 O ATOM 76 CB THR A 343 15.701 -1.331 2.506 1.00 0.11 C ATOM 77 OG1 THR A 343 17.012 -1.046 1.996 1.00 0.14 O ATOM 78 CG2 THR A 343 14.768 -1.758 1.385 1.00 0.08 C ATOM 0 H THR A 343 15.470 0.068 5.215 1.00 0.13 H new ATOM 0 HA THR A 343 15.154 0.721 2.449 1.00 0.10 H new ATOM 0 HB THR A 343 15.793 -2.141 3.230 1.00 0.11 H new ATOM 0 HG1 THR A 343 17.213 -0.095 2.124 1.00 0.14 H new ATOM 0 HG21 THR A 343 15.170 -2.644 0.894 1.00 0.08 H new ATOM 0 HG22 THR A 343 13.785 -1.986 1.797 1.00 0.08 H new ATOM 0 HG23 THR A 343 14.678 -0.950 0.659 1.00 0.08 H new ATOM 86 N TYR A 344 12.733 0.023 2.827 1.00 0.07 N ATOM 87 CA TYR A 344 11.340 -0.148 3.195 1.00 0.06 C ATOM 88 C TYR A 344 10.432 0.543 2.216 1.00 0.06 C ATOM 89 O TYR A 344 10.852 1.423 1.493 1.00 0.06 O ATOM 90 CB TYR A 344 11.096 0.466 4.559 1.00 0.08 C ATOM 91 CG TYR A 344 11.509 1.921 4.654 1.00 0.09 C ATOM 92 CD1 TYR A 344 12.816 2.252 4.969 1.00 0.12 C ATOM 93 CD2 TYR A 344 10.609 2.952 4.435 1.00 0.09 C ATOM 94 CE1 TYR A 344 13.218 3.569 5.065 1.00 0.13 C ATOM 95 CE2 TYR A 344 11.000 4.270 4.530 1.00 0.11 C ATOM 96 CZ TYR A 344 12.303 4.577 4.847 1.00 0.13 C ATOM 97 OH TYR A 344 12.691 5.894 4.929 1.00 0.15 O ATOM 0 H TYR A 344 12.882 0.495 1.935 1.00 0.07 H new ATOM 0 HA TYR A 344 11.128 -1.217 3.200 1.00 0.06 H new ATOM 0 HB2 TYR A 344 10.037 0.381 4.802 1.00 0.08 H new ATOM 0 HB3 TYR A 344 11.641 -0.107 5.309 1.00 0.08 H new ATOM 0 HD1 TYR A 344 13.535 1.465 5.143 1.00 0.12 H new ATOM 0 HD2 TYR A 344 9.584 2.719 4.186 1.00 0.09 H new ATOM 0 HE1 TYR A 344 14.242 3.808 5.309 1.00 0.13 H new ATOM 0 HE2 TYR A 344 10.285 5.060 4.356 1.00 0.11 H new ATOM 0 HH TYR A 344 12.950 6.215 4.040 1.00 0.15 H new ATOM 107 N ILE A 345 9.190 0.122 2.173 1.00 0.06 N ATOM 108 CA ILE A 345 8.169 0.912 1.541 1.00 0.06 C ATOM 109 C ILE A 345 7.767 2.018 2.461 1.00 0.07 C ATOM 110 O ILE A 345 7.840 1.878 3.675 1.00 0.08 O ATOM 111 CB ILE A 345 6.893 0.134 1.207 1.00 0.06 C ATOM 112 CG1 ILE A 345 7.171 -1.351 1.192 1.00 0.07 C ATOM 113 CG2 ILE A 345 6.397 0.558 -0.153 1.00 0.06 C ATOM 114 CD1 ILE A 345 8.231 -1.699 0.235 1.00 0.05 C ATOM 0 H ILE A 345 8.866 -0.761 2.568 1.00 0.06 H new ATOM 0 HA ILE A 345 8.606 1.266 0.607 1.00 0.06 H new ATOM 0 HB ILE A 345 6.140 0.346 1.966 1.00 0.06 H new ATOM 0 HG12 ILE A 345 7.462 -1.676 2.191 1.00 0.07 H new ATOM 0 HG13 ILE A 345 6.258 -1.889 0.935 1.00 0.07 H new ATOM 0 HG21 ILE A 345 5.488 0.007 -0.397 1.00 0.06 H new ATOM 0 HG22 ILE A 345 6.183 1.627 -0.145 1.00 0.06 H new ATOM 0 HG23 ILE A 345 7.161 0.347 -0.901 1.00 0.06 H new ATOM 0 HD11 ILE A 345 8.400 -2.776 0.255 1.00 0.05 H new ATOM 0 HD12 ILE A 345 7.929 -1.398 -0.768 1.00 0.05 H new ATOM 0 HD13 ILE A 345 9.151 -1.182 0.507 1.00 0.05 H new ATOM 126 N GLU A 346 7.316 3.089 1.887 1.00 0.09 N ATOM 127 CA GLU A 346 6.957 4.256 2.652 1.00 0.12 C ATOM 128 C GLU A 346 5.845 4.999 1.949 1.00 0.17 C ATOM 129 O GLU A 346 5.786 5.013 0.739 1.00 0.21 O ATOM 130 CB GLU A 346 8.175 5.151 2.775 1.00 0.15 C ATOM 131 CG GLU A 346 7.909 6.350 3.641 1.00 0.13 C ATOM 132 CD GLU A 346 9.032 7.368 3.685 1.00 1.24 C ATOM 133 OE1 GLU A 346 9.980 7.189 4.482 1.00 2.01 O1- ATOM 134 OE2 GLU A 346 8.963 8.372 2.947 1.00 1.53 O ATOM 0 H GLU A 346 7.184 3.186 0.880 1.00 0.09 H new ATOM 0 HA GLU A 346 6.614 3.961 3.644 1.00 0.12 H new ATOM 0 HB2 GLU A 346 9.004 4.579 3.192 1.00 0.15 H new ATOM 0 HB3 GLU A 346 8.483 5.482 1.783 1.00 0.15 H new ATOM 0 HG2 GLU A 346 7.005 6.844 3.285 1.00 0.13 H new ATOM 0 HG3 GLU A 346 7.707 6.009 4.656 1.00 0.13 H new ATOM 141 N VAL A 347 4.922 5.558 2.700 1.00 0.17 N ATOM 142 CA VAL A 347 3.854 6.324 2.108 1.00 0.17 C ATOM 143 C VAL A 347 3.616 7.611 2.862 1.00 0.20 C ATOM 144 O VAL A 347 4.077 7.780 3.978 1.00 0.45 O ATOM 145 CB VAL A 347 2.529 5.557 2.067 1.00 0.15 C ATOM 146 CG1 VAL A 347 1.619 6.200 1.048 1.00 0.14 C ATOM 147 CG2 VAL A 347 2.735 4.083 1.758 1.00 0.15 C ATOM 0 H VAL A 347 4.891 5.496 3.718 1.00 0.17 H new ATOM 0 HA VAL A 347 4.179 6.532 1.089 1.00 0.17 H new ATOM 0 HB VAL A 347 2.068 5.607 3.053 1.00 0.15 H new ATOM 0 HG11 VAL A 347 0.673 5.660 1.013 1.00 0.14 H new ATOM 0 HG12 VAL A 347 1.434 7.237 1.328 1.00 0.14 H new ATOM 0 HG13 VAL A 347 2.092 6.168 0.066 1.00 0.14 H new ATOM 0 HG21 VAL A 347 1.770 3.577 1.739 1.00 0.15 H new ATOM 0 HG22 VAL A 347 3.219 3.979 0.787 1.00 0.15 H new ATOM 0 HG23 VAL A 347 3.364 3.635 2.527 1.00 0.15 H new ATOM 157 N ASP A 348 2.937 8.519 2.198 1.00 0.10 N ATOM 158 CA ASP A 348 2.464 9.754 2.766 1.00 0.09 C ATOM 159 C ASP A 348 1.069 10.005 2.212 1.00 0.08 C ATOM 160 O ASP A 348 0.894 10.303 1.047 1.00 0.10 O ATOM 161 CB ASP A 348 3.408 10.894 2.378 1.00 0.12 C ATOM 162 CG ASP A 348 3.141 12.136 3.193 1.00 0.16 C ATOM 163 OD1 ASP A 348 1.957 12.495 3.385 1.00 0.16 O1- ATOM 164 OD2 ASP A 348 4.119 12.753 3.665 1.00 0.24 O ATOM 0 H ASP A 348 2.692 8.411 1.214 1.00 0.10 H new ATOM 0 HA ASP A 348 2.433 9.698 3.854 1.00 0.09 H new ATOM 0 HB2 ASP A 348 4.441 10.578 2.523 1.00 0.12 H new ATOM 0 HB3 ASP A 348 3.290 11.121 1.318 1.00 0.12 H new ATOM 169 N LEU A 349 0.094 9.821 3.073 1.00 0.08 N ATOM 170 CA LEU A 349 -1.328 9.750 2.709 1.00 0.09 C ATOM 171 C LEU A 349 -1.899 11.114 2.572 1.00 0.12 C ATOM 172 O LEU A 349 -2.827 11.369 1.819 1.00 0.16 O ATOM 173 CB LEU A 349 -2.083 9.043 3.815 1.00 0.10 C ATOM 174 CG LEU A 349 -1.415 7.784 4.290 1.00 0.08 C ATOM 175 CD1 LEU A 349 -0.758 7.103 3.122 1.00 0.07 C ATOM 176 CD2 LEU A 349 -0.409 8.116 5.355 1.00 0.08 C ATOM 0 H LEU A 349 0.258 9.712 4.074 1.00 0.08 H new ATOM 0 HA LEU A 349 -1.418 9.216 1.763 1.00 0.09 H new ATOM 0 HB2 LEU A 349 -2.197 9.724 4.658 1.00 0.10 H new ATOM 0 HB3 LEU A 349 -3.086 8.801 3.462 1.00 0.10 H new ATOM 0 HG LEU A 349 -2.154 7.107 4.719 1.00 0.08 H new ATOM 0 HD11 LEU A 349 -0.271 6.188 3.461 1.00 0.07 H new ATOM 0 HD12 LEU A 349 -1.511 6.857 2.373 1.00 0.07 H new ATOM 0 HD13 LEU A 349 -0.014 7.769 2.684 1.00 0.07 H new ATOM 0 HD21 LEU A 349 0.074 7.201 5.697 1.00 0.08 H new ATOM 0 HD22 LEU A 349 0.343 8.792 4.947 1.00 0.08 H new ATOM 0 HD23 LEU A 349 -0.912 8.596 6.194 1.00 0.08 H new ATOM 188 N GLU A 350 -1.353 11.935 3.428 1.00 0.13 N ATOM 189 CA GLU A 350 -1.634 13.347 3.513 1.00 0.15 C ATOM 190 C GLU A 350 -1.315 13.966 2.197 1.00 0.14 C ATOM 191 O GLU A 350 -2.021 14.817 1.668 1.00 0.17 O ATOM 192 CB GLU A 350 -0.710 13.919 4.548 1.00 0.18 C ATOM 193 CG GLU A 350 -0.568 13.030 5.719 1.00 0.19 C ATOM 194 CD GLU A 350 -0.781 13.734 7.042 1.00 0.28 C ATOM 195 OE1 GLU A 350 -1.901 14.237 7.276 1.00 0.60 O1- ATOM 196 OE2 GLU A 350 0.166 13.788 7.856 1.00 0.57 O ATOM 0 H GLU A 350 -0.668 11.626 4.118 1.00 0.13 H new ATOM 0 HA GLU A 350 -2.677 13.532 3.771 1.00 0.15 H new ATOM 0 HB2 GLU A 350 0.270 14.091 4.103 1.00 0.18 H new ATOM 0 HB3 GLU A 350 -1.087 14.889 4.873 1.00 0.18 H new ATOM 0 HG2 GLU A 350 -1.283 12.212 5.633 1.00 0.19 H new ATOM 0 HG3 GLU A 350 0.427 12.586 5.709 1.00 0.19 H new ATOM 203 N ASN A 351 -0.163 13.538 1.743 1.00 0.12 N ATOM 204 CA ASN A 351 0.456 14.048 0.526 1.00 0.11 C ATOM 205 C ASN A 351 0.219 13.109 -0.633 1.00 0.09 C ATOM 206 O ASN A 351 0.758 13.278 -1.728 1.00 0.10 O ATOM 207 CB ASN A 351 1.948 14.232 0.771 1.00 0.13 C ATOM 208 CG ASN A 351 2.190 15.340 1.757 1.00 0.17 C ATOM 209 OD1 ASN A 351 2.469 16.481 1.385 1.00 0.20 O ATOM 210 ND2 ASN A 351 2.056 15.017 3.025 1.00 0.18 N ATOM 0 H ASN A 351 0.386 12.815 2.209 1.00 0.12 H new ATOM 0 HA ASN A 351 0.007 15.007 0.268 1.00 0.11 H new ATOM 0 HB2 ASN A 351 2.377 13.303 1.147 1.00 0.13 H new ATOM 0 HB3 ASN A 351 2.451 14.458 -0.169 1.00 0.13 H new ATOM 0 HD21 ASN A 351 2.184 15.725 3.748 1.00 0.18 H new ATOM 0 HD22 ASN A 351 1.824 14.058 3.285 1.00 0.18 H new ATOM 217 N GLN A 352 -0.608 12.110 -0.321 1.00 0.08 N ATOM 218 CA GLN A 352 -0.961 11.003 -1.201 1.00 0.08 C ATOM 219 C GLN A 352 0.173 10.586 -2.117 1.00 0.07 C ATOM 220 O GLN A 352 0.046 10.606 -3.339 1.00 0.08 O ATOM 221 CB GLN A 352 -2.220 11.278 -2.007 1.00 0.12 C ATOM 222 CG GLN A 352 -3.443 11.520 -1.153 1.00 0.21 C ATOM 223 CD GLN A 352 -3.618 12.979 -0.776 1.00 1.28 C ATOM 224 OE1 GLN A 352 -3.231 13.879 -1.518 1.00 2.15 O ATOM 225 NE2 GLN A 352 -4.190 13.220 0.387 1.00 1.89 N ATOM 0 H GLN A 352 -1.066 12.051 0.588 1.00 0.08 H new ATOM 0 HA GLN A 352 -1.165 10.166 -0.533 1.00 0.08 H new ATOM 0 HB2 GLN A 352 -2.052 12.148 -2.642 1.00 0.12 H new ATOM 0 HB3 GLN A 352 -2.410 10.433 -2.668 1.00 0.12 H new ATOM 0 HG2 GLN A 352 -4.328 11.180 -1.690 1.00 0.21 H new ATOM 0 HG3 GLN A 352 -3.371 10.921 -0.245 1.00 0.21 H new ATOM 0 HE21 GLN A 352 -4.498 12.445 0.974 1.00 1.89 H new ATOM 0 HE22 GLN A 352 -4.325 14.182 0.699 1.00 1.89 H new ATOM 234 N HIS A 353 1.256 10.150 -1.517 1.00 0.05 N ATOM 235 CA HIS A 353 2.406 9.707 -2.272 1.00 0.05 C ATOM 236 C HIS A 353 3.030 8.507 -1.595 1.00 0.06 C ATOM 237 O HIS A 353 3.169 8.467 -0.386 1.00 0.07 O ATOM 238 CB HIS A 353 3.415 10.844 -2.400 1.00 0.06 C ATOM 239 CG HIS A 353 4.477 10.564 -3.407 1.00 0.06 C ATOM 240 ND1 HIS A 353 4.431 10.965 -4.731 1.00 0.09 N ATOM 241 CD2 HIS A 353 5.597 9.854 -3.274 1.00 0.06 C ATOM 242 CE1 HIS A 353 5.495 10.484 -5.360 1.00 0.09 C ATOM 243 NE2 HIS A 353 6.220 9.813 -4.486 1.00 0.07 N ATOM 0 H HIS A 353 1.365 10.092 -0.505 1.00 0.05 H new ATOM 0 HA HIS A 353 2.091 9.415 -3.274 1.00 0.05 H new ATOM 0 HB2 HIS A 353 2.891 11.759 -2.676 1.00 0.06 H new ATOM 0 HB3 HIS A 353 3.879 11.023 -1.430 1.00 0.06 H new ATOM 0 HD1 HIS A 353 3.699 11.536 -5.153 1.00 0.09 H new ATOM 0 HD2 HIS A 353 5.950 9.391 -2.364 1.00 0.06 H new ATOM 0 HE1 HIS A 353 5.727 10.618 -6.406 1.00 0.09 H new ATOM 252 N MET A 354 3.362 7.513 -2.388 1.00 0.05 N ATOM 253 CA MET A 354 3.951 6.309 -1.886 1.00 0.06 C ATOM 254 C MET A 354 5.376 6.168 -2.397 1.00 0.05 C ATOM 255 O MET A 354 5.733 6.708 -3.440 1.00 0.06 O ATOM 256 CB MET A 354 3.138 5.099 -2.293 1.00 0.07 C ATOM 257 CG MET A 354 3.477 3.861 -1.500 1.00 0.07 C ATOM 258 SD MET A 354 3.767 2.422 -2.532 1.00 0.06 S ATOM 259 CE MET A 354 4.975 3.084 -3.671 1.00 0.05 C ATOM 0 H MET A 354 3.228 7.524 -3.399 1.00 0.05 H new ATOM 0 HA MET A 354 3.964 6.367 -0.798 1.00 0.06 H new ATOM 0 HB2 MET A 354 2.078 5.323 -2.169 1.00 0.07 H new ATOM 0 HB3 MET A 354 3.300 4.900 -3.352 1.00 0.07 H new ATOM 0 HG2 MET A 354 4.365 4.054 -0.898 1.00 0.07 H new ATOM 0 HG3 MET A 354 2.663 3.646 -0.807 1.00 0.07 H new ATOM 0 HE1 MET A 354 4.634 2.927 -4.694 1.00 0.05 H new ATOM 0 HE2 MET A 354 5.100 4.152 -3.489 1.00 0.05 H new ATOM 0 HE3 MET A 354 5.929 2.577 -3.525 1.00 0.05 H new ATOM 269 N TRP A 355 6.163 5.421 -1.665 1.00 0.05 N ATOM 270 CA TRP A 355 7.579 5.258 -1.922 1.00 0.07 C ATOM 271 C TRP A 355 8.018 3.844 -1.675 1.00 0.07 C ATOM 272 O TRP A 355 7.420 3.135 -0.881 1.00 0.11 O ATOM 273 CB TRP A 355 8.411 6.109 -0.967 1.00 0.08 C ATOM 274 CG TRP A 355 8.318 7.560 -1.190 1.00 0.07 C ATOM 275 CD1 TRP A 355 9.054 8.299 -2.030 1.00 0.06 C ATOM 276 CD2 TRP A 355 7.450 8.438 -0.521 1.00 0.07 C ATOM 277 NE1 TRP A 355 8.681 9.610 -1.957 1.00 0.05 N ATOM 278 CE2 TRP A 355 7.681 9.723 -1.006 1.00 0.06 C ATOM 279 CE3 TRP A 355 6.490 8.247 0.441 1.00 0.08 C ATOM 280 CZ2 TRP A 355 6.952 10.814 -0.526 1.00 0.07 C ATOM 281 CZ3 TRP A 355 5.793 9.293 0.902 1.00 0.09 C ATOM 282 CH2 TRP A 355 6.016 10.573 0.428 1.00 0.09 C ATOM 0 H TRP A 355 5.834 4.896 -0.855 1.00 0.05 H new ATOM 0 HA TRP A 355 7.729 5.550 -2.961 1.00 0.07 H new ATOM 0 HB2 TRP A 355 8.100 5.892 0.055 1.00 0.08 H new ATOM 0 HB3 TRP A 355 9.455 5.809 -1.052 1.00 0.08 H new ATOM 0 HD1 TRP A 355 9.831 7.913 -2.673 1.00 0.06 H new ATOM 0 HE1 TRP A 355 9.072 10.374 -2.508 1.00 0.05 H new ATOM 0 HE3 TRP A 355 6.297 7.256 0.825 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 7.126 11.812 -0.900 1.00 0.07 H new ATOM 0 HZ3 TRP A 355 5.041 9.134 1.660 1.00 0.09 H new ATOM 0 HH2 TRP A 355 5.436 11.394 0.823 1.00 0.09 H new ATOM 293 N TYR A 356 9.068 3.453 -2.343 1.00 0.04 N ATOM 294 CA TYR A 356 9.935 2.439 -1.816 1.00 0.04 C ATOM 295 C TYR A 356 11.203 3.115 -1.448 1.00 0.04 C ATOM 296 O TYR A 356 11.584 4.102 -2.044 1.00 0.05 O ATOM 297 CB TYR A 356 10.273 1.383 -2.803 1.00 0.03 C ATOM 298 CG TYR A 356 11.161 0.295 -2.215 1.00 0.03 C ATOM 299 CD1 TYR A 356 10.624 -0.706 -1.445 1.00 0.05 C ATOM 300 CD2 TYR A 356 12.517 0.244 -2.475 1.00 0.05 C ATOM 301 CE1 TYR A 356 11.392 -1.728 -0.972 1.00 0.11 C ATOM 302 CE2 TYR A 356 13.304 -0.778 -1.986 1.00 0.10 C ATOM 303 CZ TYR A 356 12.726 -1.767 -1.243 1.00 0.05 C ATOM 304 OH TYR A 356 13.479 -2.822 -0.802 1.00 0.26 O ATOM 0 H TYR A 356 9.343 3.822 -3.253 1.00 0.04 H new ATOM 0 HA TYR A 356 9.426 1.958 -0.981 1.00 0.04 H new ATOM 0 HB2 TYR A 356 9.354 0.933 -3.178 1.00 0.03 H new ATOM 0 HB3 TYR A 356 10.777 1.836 -3.657 1.00 0.03 H new ATOM 0 HD1 TYR A 356 9.570 -0.684 -1.209 1.00 0.05 H new ATOM 0 HD2 TYR A 356 12.970 1.020 -3.074 1.00 0.05 H new ATOM 0 HE1 TYR A 356 10.941 -2.510 -0.380 1.00 0.11 H new ATOM 0 HE2 TYR A 356 14.365 -0.796 -2.188 1.00 0.10 H new ATOM 0 HH TYR A 356 13.086 -3.184 0.020 1.00 0.26 H new ATOM 314 N TYR A 357 11.858 2.546 -0.520 1.00 0.05 N ATOM 315 CA TYR A 357 13.089 3.086 -0.020 1.00 0.06 C ATOM 316 C TYR A 357 14.148 2.033 -0.009 1.00 0.06 C ATOM 317 O TYR A 357 14.030 1.028 0.675 1.00 0.07 O ATOM 318 CB TYR A 357 12.940 3.638 1.387 1.00 0.07 C ATOM 319 CG TYR A 357 12.545 5.082 1.453 1.00 0.07 C ATOM 320 CD1 TYR A 357 11.232 5.478 1.253 1.00 0.08 C ATOM 321 CD2 TYR A 357 13.494 6.051 1.737 1.00 0.10 C ATOM 322 CE1 TYR A 357 10.872 6.807 1.335 1.00 0.10 C ATOM 323 CE2 TYR A 357 13.150 7.378 1.818 1.00 0.11 C ATOM 324 CZ TYR A 357 11.831 7.755 1.617 1.00 0.11 C ATOM 325 OH TYR A 357 11.460 9.077 1.715 1.00 0.14 O ATOM 0 H TYR A 357 11.566 1.680 -0.068 1.00 0.05 H new ATOM 0 HA TYR A 357 13.370 3.902 -0.685 1.00 0.06 H new ATOM 0 HB2 TYR A 357 12.194 3.046 1.918 1.00 0.07 H new ATOM 0 HB3 TYR A 357 13.885 3.509 1.916 1.00 0.07 H new ATOM 0 HD1 TYR A 357 10.480 4.736 1.030 1.00 0.08 H new ATOM 0 HD2 TYR A 357 14.521 5.758 1.897 1.00 0.10 H new ATOM 0 HE1 TYR A 357 9.845 7.102 1.179 1.00 0.10 H new ATOM 0 HE2 TYR A 357 13.901 8.122 2.037 1.00 0.11 H new ATOM 0 HH TYR A 357 10.582 9.139 2.146 1.00 0.14 H new ATOM 335 N LYS A 358 15.158 2.266 -0.788 1.00 0.07 N ATOM 336 CA LYS A 358 16.368 1.502 -0.715 1.00 0.09 C ATOM 337 C LYS A 358 17.436 2.471 -0.291 1.00 0.13 C ATOM 338 O LYS A 358 17.469 3.578 -0.761 1.00 0.25 O ATOM 339 CB LYS A 358 16.732 0.888 -2.053 1.00 0.11 C ATOM 340 CG LYS A 358 17.708 -0.239 -1.920 1.00 0.12 C ATOM 341 CD LYS A 358 17.023 -1.380 -1.285 1.00 0.09 C ATOM 342 CE LYS A 358 16.473 -2.276 -2.337 1.00 0.09 C ATOM 343 NZ LYS A 358 15.916 -3.539 -1.778 1.00 0.10 N1+ ATOM 0 H LYS A 358 15.168 2.997 -1.499 1.00 0.07 H new ATOM 0 HA LYS A 358 16.254 0.673 -0.017 1.00 0.09 H new ATOM 0 HB2 LYS A 358 15.827 0.525 -2.541 1.00 0.11 H new ATOM 0 HB3 LYS A 358 17.156 1.657 -2.699 1.00 0.11 H new ATOM 0 HG2 LYS A 358 18.092 -0.525 -2.899 1.00 0.12 H new ATOM 0 HG3 LYS A 358 18.564 0.070 -1.320 1.00 0.12 H new ATOM 0 HD2 LYS A 358 17.720 -1.930 -0.652 1.00 0.09 H new ATOM 0 HD3 LYS A 358 16.220 -1.023 -0.640 1.00 0.09 H new ATOM 0 HE2 LYS A 358 15.692 -1.750 -2.885 1.00 0.09 H new ATOM 0 HE3 LYS A 358 17.259 -2.515 -3.053 1.00 0.09 H new ATOM 0 HZ1 LYS A 358 15.546 -4.127 -2.552 1.00 0.10 H new ATOM 0 HZ2 LYS A 358 16.666 -4.057 -1.277 1.00 0.10 H new ATOM 0 HZ3 LYS A 358 15.147 -3.316 -1.115 1.00 0.10 H new ATOM 357 N ASP A 359 18.283 2.046 0.614 1.00 0.13 N ATOM 358 CA ASP A 359 19.466 2.812 1.011 1.00 0.16 C ATOM 359 C ASP A 359 19.141 4.077 1.770 1.00 0.16 C ATOM 360 O ASP A 359 19.989 4.955 1.916 1.00 0.28 O ATOM 361 CB ASP A 359 20.307 3.194 -0.186 1.00 0.19 C ATOM 362 CG ASP A 359 21.762 2.818 -0.016 1.00 0.28 C ATOM 363 OD1 ASP A 359 22.095 1.626 -0.162 1.00 0.43 O ATOM 364 OD2 ASP A 359 22.584 3.716 0.261 1.00 0.39 O1- ATOM 0 H ASP A 359 18.182 1.158 1.105 1.00 0.13 H new ATOM 0 HA ASP A 359 20.017 2.143 1.672 1.00 0.16 H new ATOM 0 HB2 ASP A 359 19.910 2.705 -1.076 1.00 0.19 H new ATOM 0 HB3 ASP A 359 20.230 4.269 -0.352 1.00 0.19 H new ATOM 369 N GLY A 360 17.927 4.138 2.296 1.00 0.15 N ATOM 370 CA GLY A 360 17.453 5.349 2.942 1.00 0.15 C ATOM 371 C GLY A 360 17.042 6.401 1.975 1.00 0.14 C ATOM 372 O GLY A 360 16.718 7.530 2.344 1.00 0.18 O ATOM 0 H GLY A 360 17.258 3.368 2.288 1.00 0.15 H new ATOM 0 HA2 GLY A 360 16.608 5.104 3.585 1.00 0.15 H new ATOM 0 HA3 GLY A 360 18.240 5.742 3.586 1.00 0.15 H new ATOM 376 N LYS A 361 17.021 6.000 0.750 1.00 0.13 N ATOM 377 CA LYS A 361 16.621 6.830 -0.340 1.00 0.13 C ATOM 378 C LYS A 361 15.578 6.022 -1.069 1.00 0.09 C ATOM 379 O LYS A 361 15.283 4.911 -0.655 1.00 0.12 O ATOM 380 CB LYS A 361 17.851 7.081 -1.182 1.00 0.16 C ATOM 381 CG LYS A 361 18.321 5.844 -1.904 1.00 0.17 C ATOM 382 CD LYS A 361 19.342 6.138 -2.955 1.00 0.23 C ATOM 383 CE LYS A 361 18.734 6.967 -4.063 1.00 0.26 C ATOM 384 NZ LYS A 361 19.445 6.779 -5.356 1.00 0.37 N1+ ATOM 0 H LYS A 361 17.289 5.057 0.468 1.00 0.13 H new ATOM 0 HA LYS A 361 16.211 7.800 -0.058 1.00 0.13 H new ATOM 0 HB2 LYS A 361 17.635 7.862 -1.911 1.00 0.16 H new ATOM 0 HB3 LYS A 361 18.654 7.452 -0.545 1.00 0.16 H new ATOM 0 HG2 LYS A 361 18.742 5.145 -1.181 1.00 0.17 H new ATOM 0 HG3 LYS A 361 17.465 5.350 -2.364 1.00 0.17 H new ATOM 0 HD2 LYS A 361 20.184 6.671 -2.514 1.00 0.23 H new ATOM 0 HD3 LYS A 361 19.733 5.206 -3.362 1.00 0.23 H new ATOM 0 HE2 LYS A 361 17.685 6.697 -4.184 1.00 0.26 H new ATOM 0 HE3 LYS A 361 18.762 8.020 -3.784 1.00 0.26 H new ATOM 0 HZ1 LYS A 361 18.996 7.366 -6.088 1.00 0.37 H new ATOM 0 HZ2 LYS A 361 20.440 7.061 -5.249 1.00 0.37 H new ATOM 0 HZ3 LYS A 361 19.397 5.779 -5.636 1.00 0.37 H new ATOM 398 N VAL A 362 14.967 6.541 -2.096 1.00 0.09 N ATOM 399 CA VAL A 362 13.919 5.765 -2.703 1.00 0.07 C ATOM 400 C VAL A 362 14.251 5.105 -3.989 1.00 0.07 C ATOM 401 O VAL A 362 15.134 5.504 -4.748 1.00 0.10 O ATOM 402 CB VAL A 362 12.625 6.512 -2.886 1.00 0.07 C ATOM 403 CG1 VAL A 362 12.186 7.050 -1.573 1.00 0.07 C ATOM 404 CG2 VAL A 362 12.729 7.592 -3.895 1.00 0.09 C ATOM 0 H VAL A 362 15.160 7.451 -2.515 1.00 0.09 H new ATOM 0 HA VAL A 362 13.796 4.983 -1.953 1.00 0.07 H new ATOM 0 HB VAL A 362 11.880 5.813 -3.267 1.00 0.07 H new ATOM 0 HG11 VAL A 362 11.249 7.593 -1.697 1.00 0.07 H new ATOM 0 HG12 VAL A 362 12.039 6.227 -0.873 1.00 0.07 H new ATOM 0 HG13 VAL A 362 12.948 7.726 -1.184 1.00 0.07 H new ATOM 0 HG21 VAL A 362 11.768 8.098 -3.987 1.00 0.09 H new ATOM 0 HG22 VAL A 362 13.488 8.309 -3.583 1.00 0.09 H new ATOM 0 HG23 VAL A 362 13.008 7.164 -4.858 1.00 0.09 H new ATOM 414 N ALA A 363 13.448 4.091 -4.206 1.00 0.05 N ATOM 415 CA ALA A 363 13.521 3.265 -5.348 1.00 0.05 C ATOM 416 C ALA A 363 12.316 3.567 -6.171 1.00 0.05 C ATOM 417 O ALA A 363 12.278 3.404 -7.388 1.00 0.07 O ATOM 418 CB ALA A 363 13.505 1.813 -4.921 1.00 0.05 C ATOM 0 H ALA A 363 12.706 3.824 -3.559 1.00 0.05 H new ATOM 0 HA ALA A 363 14.435 3.445 -5.914 1.00 0.05 H new ATOM 0 HB1 ALA A 363 13.561 1.174 -5.802 1.00 0.05 H new ATOM 0 HB2 ALA A 363 14.359 1.615 -4.274 1.00 0.05 H new ATOM 0 HB3 ALA A 363 12.583 1.603 -4.379 1.00 0.05 H new ATOM 424 N LEU A 364 11.324 4.008 -5.434 1.00 0.04 N ATOM 425 CA LEU A 364 10.029 4.281 -5.955 1.00 0.04 C ATOM 426 C LEU A 364 9.499 5.574 -5.460 1.00 0.05 C ATOM 427 O LEU A 364 9.708 5.974 -4.316 1.00 0.06 O ATOM 428 CB LEU A 364 9.110 3.174 -5.528 1.00 0.04 C ATOM 429 CG LEU A 364 8.432 2.474 -6.656 1.00 0.05 C ATOM 430 CD1 LEU A 364 9.457 2.128 -7.688 1.00 0.05 C ATOM 431 CD2 LEU A 364 7.784 1.239 -6.151 1.00 0.05 C ATOM 0 H LEU A 364 11.409 4.187 -4.433 1.00 0.04 H new ATOM 0 HA LEU A 364 10.094 4.344 -7.041 1.00 0.04 H new ATOM 0 HB2 LEU A 364 9.680 2.445 -4.953 1.00 0.04 H new ATOM 0 HB3 LEU A 364 8.352 3.583 -4.861 1.00 0.04 H new ATOM 0 HG LEU A 364 7.670 3.117 -7.096 1.00 0.05 H new ATOM 0 HD11 LEU A 364 8.976 1.615 -8.521 1.00 0.05 H new ATOM 0 HD12 LEU A 364 9.932 3.040 -8.049 1.00 0.05 H new ATOM 0 HD13 LEU A 364 10.212 1.476 -7.247 1.00 0.05 H new ATOM 0 HD21 LEU A 364 7.288 0.726 -6.975 1.00 0.05 H new ATOM 0 HD22 LEU A 364 8.539 0.583 -5.717 1.00 0.05 H new ATOM 0 HD23 LEU A 364 7.049 1.499 -5.390 1.00 0.05 H new ATOM 443 N GLU A 365 8.786 6.192 -6.342 1.00 0.05 N ATOM 444 CA GLU A 365 8.116 7.399 -6.063 1.00 0.06 C ATOM 445 C GLU A 365 6.813 7.263 -6.747 1.00 0.05 C ATOM 446 O GLU A 365 6.773 7.135 -7.967 1.00 0.07 O ATOM 447 CB GLU A 365 8.893 8.532 -6.677 1.00 0.10 C ATOM 448 CG GLU A 365 9.001 9.771 -5.815 1.00 0.16 C ATOM 449 CD GLU A 365 9.963 10.790 -6.389 1.00 0.27 C ATOM 450 OE1 GLU A 365 9.568 11.554 -7.292 1.00 0.45 O1- ATOM 451 OE2 GLU A 365 11.124 10.835 -5.932 1.00 0.48 O ATOM 0 H GLU A 365 8.656 5.856 -7.296 1.00 0.05 H new ATOM 0 HA GLU A 365 8.006 7.595 -4.996 1.00 0.06 H new ATOM 0 HB2 GLU A 365 9.898 8.180 -6.909 1.00 0.10 H new ATOM 0 HB3 GLU A 365 8.424 8.805 -7.622 1.00 0.10 H new ATOM 0 HG2 GLU A 365 8.015 10.224 -5.710 1.00 0.16 H new ATOM 0 HG3 GLU A 365 9.330 9.487 -4.815 1.00 0.16 H new ATOM 458 N THR A 366 5.752 7.287 -6.019 1.00 0.05 N ATOM 459 CA THR A 366 4.519 7.171 -6.671 1.00 0.06 C ATOM 460 C THR A 366 3.432 7.889 -5.940 1.00 0.06 C ATOM 461 O THR A 366 3.557 8.239 -4.787 1.00 0.07 O ATOM 462 CB THR A 366 4.174 5.693 -6.860 1.00 0.06 C ATOM 463 OG1 THR A 366 3.607 5.472 -8.135 1.00 0.07 O ATOM 464 CG2 THR A 366 3.199 5.239 -5.811 1.00 0.07 C ATOM 0 H THR A 366 5.721 7.383 -5.004 1.00 0.05 H new ATOM 0 HA THR A 366 4.604 7.645 -7.649 1.00 0.06 H new ATOM 0 HB THR A 366 5.099 5.124 -6.770 1.00 0.06 H new ATOM 0 HG1 THR A 366 4.079 6.014 -8.801 1.00 0.07 H new ATOM 0 HG21 THR A 366 2.966 4.185 -5.963 1.00 0.07 H new ATOM 0 HG22 THR A 366 3.638 5.375 -4.823 1.00 0.07 H new ATOM 0 HG23 THR A 366 2.284 5.827 -5.886 1.00 0.07 H new ATOM 472 N ASP A 367 2.380 8.103 -6.638 1.00 0.07 N ATOM 473 CA ASP A 367 1.254 8.790 -6.135 1.00 0.09 C ATOM 474 C ASP A 367 0.161 7.794 -5.795 1.00 0.09 C ATOM 475 O ASP A 367 -0.079 6.853 -6.537 1.00 0.11 O ATOM 476 CB ASP A 367 0.864 9.788 -7.209 1.00 0.13 C ATOM 477 CG ASP A 367 0.635 9.190 -8.599 1.00 0.98 C ATOM 478 OD1 ASP A 367 1.322 8.213 -8.976 1.00 1.80 O1- ATOM 479 OD2 ASP A 367 -0.206 9.733 -9.340 1.00 1.65 O ATOM 0 H ASP A 367 2.277 7.795 -7.605 1.00 0.07 H new ATOM 0 HA ASP A 367 1.453 9.326 -5.207 1.00 0.09 H new ATOM 0 HB2 ASP A 367 -0.047 10.298 -6.895 1.00 0.13 H new ATOM 0 HB3 ASP A 367 1.645 10.545 -7.280 1.00 0.13 H new ATOM 484 N ILE A 368 -0.441 7.966 -4.623 1.00 0.09 N ATOM 485 CA ILE A 368 -1.366 6.976 -4.080 1.00 0.08 C ATOM 486 C ILE A 368 -2.595 7.599 -3.509 1.00 0.07 C ATOM 487 O ILE A 368 -2.831 8.796 -3.605 1.00 0.08 O ATOM 488 CB ILE A 368 -0.745 6.145 -2.956 1.00 0.09 C ATOM 489 CG1 ILE A 368 0.032 7.012 -2.003 1.00 0.08 C ATOM 490 CG2 ILE A 368 0.121 5.075 -3.531 1.00 0.12 C ATOM 491 CD1 ILE A 368 -0.806 7.627 -0.898 1.00 0.08 C ATOM 0 H ILE A 368 -0.305 8.784 -4.029 1.00 0.09 H new ATOM 0 HA ILE A 368 -1.613 6.344 -4.933 1.00 0.08 H new ATOM 0 HB ILE A 368 -1.550 5.677 -2.389 1.00 0.09 H new ATOM 0 HG12 ILE A 368 0.826 6.417 -1.553 1.00 0.08 H new ATOM 0 HG13 ILE A 368 0.513 7.811 -2.567 1.00 0.08 H new ATOM 0 HG21 ILE A 368 0.559 4.488 -2.724 1.00 0.12 H new ATOM 0 HG22 ILE A 368 -0.479 4.425 -4.168 1.00 0.12 H new ATOM 0 HG23 ILE A 368 0.916 5.529 -4.122 1.00 0.12 H new ATOM 0 HD11 ILE A 368 -0.170 8.236 -0.256 1.00 0.08 H new ATOM 0 HD12 ILE A 368 -1.584 8.252 -1.336 1.00 0.08 H new ATOM 0 HD13 ILE A 368 -1.266 6.835 -0.307 1.00 0.08 H new ATOM 503 N VAL A 369 -3.352 6.742 -2.881 1.00 0.07 N ATOM 504 CA VAL A 369 -4.497 7.131 -2.116 1.00 0.08 C ATOM 505 C VAL A 369 -4.717 6.099 -1.022 1.00 0.09 C ATOM 506 O VAL A 369 -4.821 4.901 -1.278 1.00 0.10 O ATOM 507 CB VAL A 369 -5.768 7.349 -2.995 1.00 0.08 C ATOM 508 CG1 VAL A 369 -5.519 7.006 -4.471 1.00 0.10 C ATOM 509 CG2 VAL A 369 -6.966 6.577 -2.450 1.00 0.09 C ATOM 0 H VAL A 369 -3.184 5.736 -2.889 1.00 0.07 H new ATOM 0 HA VAL A 369 -4.306 8.104 -1.663 1.00 0.08 H new ATOM 0 HB VAL A 369 -6.002 8.412 -2.945 1.00 0.08 H new ATOM 0 HG11 VAL A 369 -6.432 7.173 -5.042 1.00 0.10 H new ATOM 0 HG12 VAL A 369 -4.724 7.640 -4.863 1.00 0.10 H new ATOM 0 HG13 VAL A 369 -5.224 5.960 -4.557 1.00 0.10 H new ATOM 0 HG21 VAL A 369 -7.833 6.753 -3.087 1.00 0.09 H new ATOM 0 HG22 VAL A 369 -6.736 5.512 -2.436 1.00 0.09 H new ATOM 0 HG23 VAL A 369 -7.186 6.914 -1.437 1.00 0.09 H new ATOM 519 N SER A 370 -4.679 6.587 0.198 1.00 0.09 N ATOM 520 CA SER A 370 -4.859 5.767 1.387 1.00 0.08 C ATOM 521 C SER A 370 -6.337 5.492 1.633 1.00 0.08 C ATOM 522 O SER A 370 -7.157 5.722 0.747 1.00 0.10 O ATOM 523 CB SER A 370 -4.176 6.379 2.611 1.00 0.13 C ATOM 524 OG SER A 370 -3.437 5.398 3.286 1.00 1.26 O ATOM 0 H SER A 370 -4.521 7.574 0.400 1.00 0.09 H new ATOM 0 HA SER A 370 -4.370 4.809 1.210 1.00 0.08 H new ATOM 0 HB2 SER A 370 -3.520 7.193 2.303 1.00 0.13 H new ATOM 0 HB3 SER A 370 -4.923 6.807 3.279 1.00 0.13 H new ATOM 0 HG SER A 370 -4.000 4.610 3.437 1.00 1.26 H new ATOM 530 N GLY A 371 -6.690 4.969 2.792 1.00 0.09 N ATOM 531 CA GLY A 371 -8.061 4.565 2.986 1.00 0.12 C ATOM 532 C GLY A 371 -8.944 5.723 3.407 1.00 0.12 C ATOM 533 O GLY A 371 -8.458 6.818 3.703 1.00 0.14 O ATOM 0 H GLY A 371 -6.068 4.819 3.586 1.00 0.09 H new ATOM 0 HA2 GLY A 371 -8.446 4.134 2.062 1.00 0.12 H new ATOM 0 HA3 GLY A 371 -8.104 3.783 3.744 1.00 0.12 H new ATOM 537 N LYS A 372 -10.244 5.475 3.410 1.00 0.16 N ATOM 538 CA LYS A 372 -11.237 6.542 3.423 1.00 0.16 C ATOM 539 C LYS A 372 -11.437 7.159 4.808 1.00 0.18 C ATOM 540 O LYS A 372 -11.046 6.557 5.796 1.00 0.21 O ATOM 541 CB LYS A 372 -12.558 6.009 2.868 1.00 0.19 C ATOM 542 CG LYS A 372 -13.271 5.078 3.815 1.00 0.27 C ATOM 543 CD LYS A 372 -13.819 3.888 3.076 1.00 0.47 C ATOM 544 CE LYS A 372 -14.876 4.332 2.109 1.00 0.81 C ATOM 545 NZ LYS A 372 -15.321 3.243 1.201 1.00 0.79 N1+ ATOM 0 H LYS A 372 -10.641 4.535 3.404 1.00 0.16 H new ATOM 0 HA LYS A 372 -10.864 7.347 2.789 1.00 0.16 H new ATOM 0 HB2 LYS A 372 -13.212 6.850 2.635 1.00 0.19 H new ATOM 0 HB3 LYS A 372 -12.366 5.486 1.931 1.00 0.19 H new ATOM 0 HG2 LYS A 372 -12.583 4.745 4.592 1.00 0.27 H new ATOM 0 HG3 LYS A 372 -14.082 5.609 4.313 1.00 0.27 H new ATOM 0 HD2 LYS A 372 -13.016 3.379 2.543 1.00 0.47 H new ATOM 0 HD3 LYS A 372 -14.238 3.171 3.782 1.00 0.47 H new ATOM 0 HE2 LYS A 372 -15.735 4.709 2.665 1.00 0.81 H new ATOM 0 HE3 LYS A 372 -14.492 5.161 1.514 1.00 0.81 H new ATOM 0 HZ1 LYS A 372 -16.280 3.450 0.855 1.00 0.79 H new ATOM 0 HZ2 LYS A 372 -14.668 3.175 0.394 1.00 0.79 H new ATOM 0 HZ3 LYS A 372 -15.327 2.341 1.718 1.00 0.79 H new ATOM 559 N PRO A 373 -12.038 8.344 4.913 1.00 0.19 N ATOM 560 CA PRO A 373 -12.185 9.058 6.189 1.00 0.21 C ATOM 561 C PRO A 373 -12.861 8.220 7.247 1.00 0.24 C ATOM 562 O PRO A 373 -12.526 8.272 8.430 1.00 0.28 O ATOM 563 CB PRO A 373 -13.118 10.186 5.810 1.00 0.23 C ATOM 564 CG PRO A 373 -12.773 10.463 4.411 1.00 0.21 C ATOM 565 CD PRO A 373 -12.626 9.106 3.811 1.00 0.19 C ATOM 0 HA PRO A 373 -11.222 9.352 6.606 1.00 0.21 H new ATOM 0 HB2 PRO A 373 -14.163 9.895 5.915 1.00 0.23 H new ATOM 0 HB3 PRO A 373 -12.966 11.061 6.441 1.00 0.23 H new ATOM 0 HG2 PRO A 373 -13.552 11.040 3.912 1.00 0.21 H new ATOM 0 HG3 PRO A 373 -11.851 11.038 4.332 1.00 0.21 H new ATOM 0 HD2 PRO A 373 -13.585 8.694 3.497 1.00 0.19 H new ATOM 0 HD3 PRO A 373 -11.980 9.117 2.933 1.00 0.19 H new ATOM 573 N THR A 374 -13.824 7.455 6.796 1.00 0.25 N ATOM 574 CA THR A 374 -14.654 6.671 7.689 1.00 0.28 C ATOM 575 C THR A 374 -13.819 5.595 8.369 1.00 0.30 C ATOM 576 O THR A 374 -14.030 5.234 9.530 1.00 0.33 O ATOM 577 CB THR A 374 -15.816 6.014 6.924 1.00 0.29 C ATOM 578 OG1 THR A 374 -15.334 4.951 6.095 1.00 0.29 O ATOM 579 CG2 THR A 374 -16.490 7.037 6.048 1.00 0.29 C ATOM 0 H THR A 374 -14.057 7.355 5.808 1.00 0.25 H new ATOM 0 HA THR A 374 -15.068 7.341 8.443 1.00 0.28 H new ATOM 0 HB THR A 374 -16.523 5.615 7.652 1.00 0.29 H new ATOM 0 HG1 THR A 374 -16.086 4.543 5.617 1.00 0.29 H new ATOM 0 HG21 THR A 374 -17.312 6.568 5.508 1.00 0.29 H new ATOM 0 HG22 THR A 374 -16.877 7.847 6.666 1.00 0.29 H new ATOM 0 HG23 THR A 374 -15.769 7.437 5.335 1.00 0.29 H new ATOM 587 N THR A 375 -12.855 5.107 7.617 1.00 0.28 N ATOM 588 CA THR A 375 -11.955 4.060 8.057 1.00 0.31 C ATOM 589 C THR A 375 -10.554 4.338 7.542 1.00 0.29 C ATOM 590 O THR A 375 -10.034 3.723 6.609 1.00 0.29 O ATOM 591 CB THR A 375 -12.472 2.694 7.644 1.00 0.34 C ATOM 592 OG1 THR A 375 -11.466 1.685 7.814 1.00 0.39 O ATOM 593 CG2 THR A 375 -12.975 2.739 6.208 1.00 0.31 C ATOM 0 H THR A 375 -12.671 5.431 6.668 1.00 0.28 H new ATOM 0 HA THR A 375 -11.909 4.053 9.146 1.00 0.31 H new ATOM 0 HB THR A 375 -13.307 2.428 8.293 1.00 0.34 H new ATOM 0 HG1 THR A 375 -11.826 0.815 7.542 1.00 0.39 H new ATOM 0 HG21 THR A 375 -13.344 1.754 5.921 1.00 0.31 H new ATOM 0 HG22 THR A 375 -13.783 3.467 6.128 1.00 0.31 H new ATOM 0 HG23 THR A 375 -12.159 3.028 5.546 1.00 0.31 H new ATOM 601 N PRO A 376 -9.982 5.334 8.174 1.00 0.28 N ATOM 602 CA PRO A 376 -8.706 5.942 7.845 1.00 0.26 C ATOM 603 C PRO A 376 -7.539 5.009 7.926 1.00 0.26 C ATOM 604 O PRO A 376 -7.592 3.965 8.580 1.00 0.38 O ATOM 605 CB PRO A 376 -8.582 7.022 8.907 1.00 0.29 C ATOM 606 CG PRO A 376 -9.961 7.320 9.250 1.00 0.32 C ATOM 607 CD PRO A 376 -10.590 5.987 9.304 1.00 0.32 C ATOM 0 HA PRO A 376 -8.687 6.292 6.813 1.00 0.26 H new ATOM 0 HB2 PRO A 376 -8.020 6.671 9.773 1.00 0.29 H new ATOM 0 HB3 PRO A 376 -8.064 7.902 8.526 1.00 0.29 H new ATOM 0 HG2 PRO A 376 -10.035 7.839 10.205 1.00 0.32 H new ATOM 0 HG3 PRO A 376 -10.433 7.958 8.503 1.00 0.32 H new ATOM 0 HD2 PRO A 376 -10.376 5.471 10.240 1.00 0.32 H new ATOM 0 HD3 PRO A 376 -11.675 6.042 9.211 1.00 0.32 H new ATOM 615 N THR A 377 -6.475 5.395 7.271 1.00 0.17 N ATOM 616 CA THR A 377 -5.254 4.687 7.425 1.00 0.21 C ATOM 617 C THR A 377 -4.454 5.345 8.563 1.00 0.17 C ATOM 618 O THR A 377 -4.519 6.561 8.761 1.00 0.21 O ATOM 619 CB THR A 377 -4.467 4.623 6.093 1.00 0.33 C ATOM 620 OG1 THR A 377 -4.141 3.261 5.787 1.00 0.82 O ATOM 621 CG2 THR A 377 -3.192 5.435 6.143 1.00 0.22 C ATOM 0 H THR A 377 -6.439 6.190 6.633 1.00 0.17 H new ATOM 0 HA THR A 377 -5.451 3.649 7.694 1.00 0.21 H new ATOM 0 HB THR A 377 -5.107 5.046 5.319 1.00 0.33 H new ATOM 0 HG1 THR A 377 -4.861 2.864 5.254 1.00 0.82 H new ATOM 0 HG21 THR A 377 -2.675 5.359 5.187 1.00 0.22 H new ATOM 0 HG22 THR A 377 -3.433 6.479 6.344 1.00 0.22 H new ATOM 0 HG23 THR A 377 -2.548 5.053 6.935 1.00 0.22 H new ATOM 629 N PRO A 378 -3.726 4.529 9.338 1.00 0.14 N ATOM 630 CA PRO A 378 -3.089 4.920 10.604 1.00 0.15 C ATOM 631 C PRO A 378 -1.836 5.736 10.383 1.00 0.13 C ATOM 632 O PRO A 378 -1.614 6.753 11.042 1.00 0.16 O ATOM 633 CB PRO A 378 -2.699 3.552 11.200 1.00 0.17 C ATOM 634 CG PRO A 378 -3.479 2.566 10.415 1.00 0.19 C ATOM 635 CD PRO A 378 -3.433 3.137 9.050 1.00 0.17 C ATOM 0 HA PRO A 378 -3.739 5.535 11.227 1.00 0.15 H new ATOM 0 HB2 PRO A 378 -1.628 3.372 11.111 1.00 0.17 H new ATOM 0 HB3 PRO A 378 -2.944 3.497 12.261 1.00 0.17 H new ATOM 0 HG2 PRO A 378 -3.034 1.572 10.455 1.00 0.19 H new ATOM 0 HG3 PRO A 378 -4.501 2.472 10.782 1.00 0.19 H new ATOM 0 HD2 PRO A 378 -2.459 3.007 8.578 1.00 0.17 H new ATOM 0 HD3 PRO A 378 -4.171 2.686 8.387 1.00 0.17 H new ATOM 643 N ALA A 379 -1.049 5.273 9.438 1.00 0.11 N ATOM 644 CA ALA A 379 0.274 5.788 9.166 1.00 0.10 C ATOM 645 C ALA A 379 1.231 5.653 10.338 1.00 0.10 C ATOM 646 O ALA A 379 0.935 5.959 11.500 1.00 0.13 O ATOM 647 CB ALA A 379 0.256 7.197 8.625 1.00 0.11 C ATOM 0 H ALA A 379 -1.319 4.507 8.821 1.00 0.11 H new ATOM 0 HA ALA A 379 0.664 5.146 8.376 1.00 0.10 H new ATOM 0 HB1 ALA A 379 1.278 7.529 8.440 1.00 0.11 H new ATOM 0 HB2 ALA A 379 -0.308 7.221 7.692 1.00 0.11 H new ATOM 0 HB3 ALA A 379 -0.215 7.860 9.351 1.00 0.11 H new ATOM 653 N GLY A 380 2.395 5.198 9.967 1.00 0.10 N ATOM 654 CA GLY A 380 3.466 4.925 10.873 1.00 0.11 C ATOM 655 C GLY A 380 4.383 3.896 10.275 1.00 0.12 C ATOM 656 O GLY A 380 4.973 4.125 9.222 1.00 0.20 O ATOM 0 H GLY A 380 2.628 5.002 8.993 1.00 0.10 H new ATOM 0 HA2 GLY A 380 4.019 5.840 11.084 1.00 0.11 H new ATOM 0 HA3 GLY A 380 3.070 4.565 11.823 1.00 0.11 H new ATOM 660 N VAL A 381 4.465 2.749 10.913 1.00 0.12 N ATOM 661 CA VAL A 381 5.292 1.671 10.430 1.00 0.13 C ATOM 662 C VAL A 381 4.504 0.354 10.385 1.00 0.15 C ATOM 663 O VAL A 381 4.021 -0.149 11.399 1.00 0.25 O ATOM 664 CB VAL A 381 6.544 1.555 11.312 1.00 0.17 C ATOM 665 CG1 VAL A 381 6.219 1.028 12.697 1.00 0.79 C ATOM 666 CG2 VAL A 381 7.615 0.712 10.635 1.00 0.82 C ATOM 0 H VAL A 381 3.963 2.540 11.776 1.00 0.12 H new ATOM 0 HA VAL A 381 5.607 1.886 9.409 1.00 0.13 H new ATOM 0 HB VAL A 381 6.941 2.562 11.441 1.00 0.17 H new ATOM 0 HG11 VAL A 381 7.134 0.963 13.285 1.00 0.79 H new ATOM 0 HG12 VAL A 381 5.519 1.704 13.188 1.00 0.79 H new ATOM 0 HG13 VAL A 381 5.770 0.038 12.614 1.00 0.79 H new ATOM 0 HG21 VAL A 381 8.490 0.647 11.282 1.00 0.82 H new ATOM 0 HG22 VAL A 381 7.226 -0.289 10.449 1.00 0.82 H new ATOM 0 HG23 VAL A 381 7.897 1.174 9.689 1.00 0.82 H new ATOM 676 N PHE A 382 4.324 -0.162 9.190 1.00 0.09 N ATOM 677 CA PHE A 382 3.697 -1.451 8.989 1.00 0.09 C ATOM 678 C PHE A 382 4.756 -2.386 8.379 1.00 0.09 C ATOM 679 O PHE A 382 5.921 -2.001 8.291 1.00 0.10 O ATOM 680 CB PHE A 382 2.435 -1.341 8.120 1.00 0.10 C ATOM 681 CG PHE A 382 1.581 -0.122 8.397 1.00 0.11 C ATOM 682 CD1 PHE A 382 1.308 0.281 9.698 1.00 0.18 C ATOM 683 CD2 PHE A 382 1.064 0.636 7.350 1.00 0.12 C ATOM 684 CE1 PHE A 382 0.540 1.405 9.947 1.00 0.22 C ATOM 685 CE2 PHE A 382 0.302 1.756 7.602 1.00 0.15 C ATOM 686 CZ PHE A 382 0.039 2.140 8.898 1.00 0.18 C ATOM 0 H PHE A 382 4.609 0.301 8.327 1.00 0.09 H new ATOM 0 HA PHE A 382 3.351 -1.860 9.938 1.00 0.09 H new ATOM 0 HB2 PHE A 382 2.732 -1.329 7.071 1.00 0.10 H new ATOM 0 HB3 PHE A 382 1.829 -2.234 8.269 1.00 0.10 H new ATOM 0 HD1 PHE A 382 1.700 -0.290 10.526 1.00 0.18 H new ATOM 0 HD2 PHE A 382 1.262 0.343 6.330 1.00 0.12 H new ATOM 0 HE1 PHE A 382 0.334 1.705 10.964 1.00 0.22 H new ATOM 0 HE2 PHE A 382 -0.091 2.335 6.779 1.00 0.15 H new ATOM 0 HZ PHE A 382 -0.560 3.018 9.091 1.00 0.18 H new ATOM 696 N TYR A 383 4.413 -3.601 7.983 1.00 0.11 N ATOM 697 CA TYR A 383 5.461 -4.546 7.579 1.00 0.11 C ATOM 698 C TYR A 383 5.084 -5.378 6.354 1.00 0.11 C ATOM 699 O TYR A 383 4.066 -6.063 6.349 1.00 0.13 O ATOM 700 CB TYR A 383 5.719 -5.476 8.755 1.00 0.13 C ATOM 701 CG TYR A 383 7.170 -5.814 8.964 1.00 0.21 C ATOM 702 CD1 TYR A 383 8.110 -4.811 9.156 1.00 0.25 C ATOM 703 CD2 TYR A 383 7.598 -7.134 8.993 1.00 0.37 C ATOM 704 CE1 TYR A 383 9.437 -5.110 9.376 1.00 0.39 C ATOM 705 CE2 TYR A 383 8.924 -7.448 9.205 1.00 0.49 C ATOM 706 CZ TYR A 383 9.844 -6.431 9.400 1.00 0.50 C ATOM 707 OH TYR A 383 11.167 -6.734 9.639 1.00 0.65 O ATOM 0 H TYR A 383 3.458 -3.954 7.930 1.00 0.11 H new ATOM 0 HA TYR A 383 6.346 -3.973 7.303 1.00 0.11 H new ATOM 0 HB2 TYR A 383 5.330 -5.013 9.662 1.00 0.13 H new ATOM 0 HB3 TYR A 383 5.160 -6.399 8.604 1.00 0.13 H new ATOM 0 HD1 TYR A 383 7.796 -3.778 9.133 1.00 0.25 H new ATOM 0 HD2 TYR A 383 6.881 -7.928 8.847 1.00 0.37 H new ATOM 0 HE1 TYR A 383 10.155 -4.317 9.529 1.00 0.39 H new ATOM 0 HE2 TYR A 383 9.243 -8.480 9.219 1.00 0.49 H new ATOM 0 HH TYR A 383 11.639 -6.835 8.786 1.00 0.65 H new ATOM 717 N VAL A 384 5.920 -5.314 5.311 1.00 0.09 N ATOM 718 CA VAL A 384 5.796 -6.240 4.195 1.00 0.09 C ATOM 719 C VAL A 384 6.667 -7.440 4.443 1.00 0.13 C ATOM 720 O VAL A 384 7.849 -7.500 4.095 1.00 0.16 O ATOM 721 CB VAL A 384 6.114 -5.648 2.809 1.00 0.07 C ATOM 722 CG1 VAL A 384 7.383 -4.845 2.841 1.00 0.07 C ATOM 723 CG2 VAL A 384 6.206 -6.756 1.750 1.00 0.08 C ATOM 0 H VAL A 384 6.678 -4.638 5.222 1.00 0.09 H new ATOM 0 HA VAL A 384 4.741 -6.509 4.156 1.00 0.09 H new ATOM 0 HB VAL A 384 5.297 -4.979 2.538 1.00 0.07 H new ATOM 0 HG11 VAL A 384 7.582 -4.440 1.849 1.00 0.07 H new ATOM 0 HG12 VAL A 384 7.278 -4.027 3.553 1.00 0.07 H new ATOM 0 HG13 VAL A 384 8.211 -5.485 3.144 1.00 0.07 H new ATOM 0 HG21 VAL A 384 6.431 -6.314 0.779 1.00 0.08 H new ATOM 0 HG22 VAL A 384 6.997 -7.455 2.023 1.00 0.08 H new ATOM 0 HG23 VAL A 384 5.255 -7.287 1.695 1.00 0.08 H new ATOM 733 N TRP A 385 6.049 -8.398 5.045 1.00 0.18 N ATOM 734 CA TRP A 385 6.687 -9.650 5.333 1.00 0.23 C ATOM 735 C TRP A 385 6.383 -10.601 4.193 1.00 0.12 C ATOM 736 O TRP A 385 6.653 -11.799 4.255 1.00 0.21 O ATOM 737 CB TRP A 385 6.236 -10.182 6.694 1.00 0.48 C ATOM 738 CG TRP A 385 4.745 -10.308 6.816 1.00 0.45 C ATOM 739 CD1 TRP A 385 3.845 -9.290 6.990 1.00 0.57 C ATOM 740 CD2 TRP A 385 3.977 -11.514 6.776 1.00 1.08 C ATOM 741 NE1 TRP A 385 2.577 -9.793 7.061 1.00 1.17 N ATOM 742 CE2 TRP A 385 2.628 -11.152 6.931 1.00 1.54 C ATOM 743 CE3 TRP A 385 4.296 -12.866 6.623 1.00 1.37 C ATOM 744 CZ2 TRP A 385 1.603 -12.082 6.938 1.00 2.27 C ATOM 745 CZ3 TRP A 385 3.273 -13.794 6.630 1.00 2.11 C ATOM 746 CH2 TRP A 385 1.938 -13.397 6.785 1.00 2.55 C ATOM 0 H TRP A 385 5.079 -8.340 5.356 1.00 0.18 H new ATOM 0 HA TRP A 385 7.768 -9.532 5.406 1.00 0.23 H new ATOM 0 HB2 TRP A 385 6.692 -11.157 6.865 1.00 0.48 H new ATOM 0 HB3 TRP A 385 6.603 -9.518 7.476 1.00 0.48 H new ATOM 0 HD1 TRP A 385 4.101 -8.243 7.061 1.00 0.57 H new ATOM 0 HE1 TRP A 385 1.728 -9.242 7.190 1.00 1.17 H new ATOM 0 HE3 TRP A 385 5.322 -13.179 6.502 1.00 1.37 H new ATOM 0 HZ2 TRP A 385 0.574 -11.778 7.060 1.00 2.27 H new ATOM 0 HZ3 TRP A 385 3.506 -14.842 6.514 1.00 2.11 H new ATOM 0 HH2 TRP A 385 1.159 -14.145 6.783 1.00 2.55 H new ATOM 757 N ASN A 386 5.821 -10.012 3.137 1.00 0.10 N ATOM 758 CA ASN A 386 5.567 -10.709 1.889 1.00 0.14 C ATOM 759 C ASN A 386 5.182 -9.710 0.805 1.00 0.11 C ATOM 760 O ASN A 386 4.278 -8.907 0.972 1.00 0.12 O ATOM 761 CB ASN A 386 4.442 -11.726 2.080 1.00 0.27 C ATOM 762 CG ASN A 386 4.158 -12.528 0.821 1.00 0.33 C ATOM 763 OD1 ASN A 386 4.762 -13.576 0.588 1.00 0.43 O ATOM 764 ND2 ASN A 386 3.237 -12.052 0.002 1.00 0.31 N ATOM 0 H ASN A 386 5.530 -9.034 3.130 1.00 0.10 H new ATOM 0 HA ASN A 386 6.473 -11.233 1.585 1.00 0.14 H new ATOM 0 HB2 ASN A 386 4.707 -12.408 2.888 1.00 0.27 H new ATOM 0 HB3 ASN A 386 3.535 -11.205 2.387 1.00 0.27 H new ATOM 0 HD21 ASN A 386 3.007 -12.556 -0.855 1.00 0.31 H new ATOM 0 HD22 ASN A 386 2.756 -11.181 0.226 1.00 0.31 H new ATOM 771 N LYS A 387 5.911 -9.771 -0.289 1.00 0.11 N ATOM 772 CA LYS A 387 5.580 -9.062 -1.524 1.00 0.09 C ATOM 773 C LYS A 387 4.918 -10.034 -2.486 1.00 0.08 C ATOM 774 O LYS A 387 5.294 -11.206 -2.546 1.00 0.13 O ATOM 775 CB LYS A 387 6.845 -8.462 -2.168 1.00 0.13 C ATOM 776 CG LYS A 387 8.156 -8.838 -1.491 1.00 0.38 C ATOM 777 CD LYS A 387 8.462 -10.300 -1.686 1.00 0.20 C ATOM 778 CE LYS A 387 9.071 -10.585 -3.035 1.00 0.40 C ATOM 779 NZ LYS A 387 10.382 -9.907 -3.222 1.00 1.12 N1+ ATOM 0 H LYS A 387 6.767 -10.322 -0.354 1.00 0.11 H new ATOM 0 HA LYS A 387 4.899 -8.243 -1.294 1.00 0.09 H new ATOM 0 HB2 LYS A 387 6.888 -8.779 -3.210 1.00 0.13 H new ATOM 0 HB3 LYS A 387 6.753 -7.376 -2.169 1.00 0.13 H new ATOM 0 HG2 LYS A 387 8.967 -8.235 -1.900 1.00 0.38 H new ATOM 0 HG3 LYS A 387 8.097 -8.614 -0.426 1.00 0.38 H new ATOM 0 HD2 LYS A 387 9.145 -10.633 -0.904 1.00 0.20 H new ATOM 0 HD3 LYS A 387 7.545 -10.878 -1.575 1.00 0.20 H new ATOM 0 HE2 LYS A 387 9.202 -11.661 -3.151 1.00 0.40 H new ATOM 0 HE3 LYS A 387 8.383 -10.261 -3.816 1.00 0.40 H new ATOM 0 HZ1 LYS A 387 10.348 -9.315 -4.077 1.00 1.12 H new ATOM 0 HZ2 LYS A 387 10.585 -9.310 -2.395 1.00 1.12 H new ATOM 0 HZ3 LYS A 387 11.131 -10.621 -3.325 1.00 1.12 H new ATOM 793 N GLU A 388 3.943 -9.540 -3.237 1.00 0.09 N ATOM 794 CA GLU A 388 3.067 -10.400 -4.025 1.00 0.10 C ATOM 795 C GLU A 388 3.010 -10.056 -5.492 1.00 0.10 C ATOM 796 O GLU A 388 3.239 -8.925 -5.903 1.00 0.10 O ATOM 797 CB GLU A 388 1.666 -10.287 -3.476 1.00 0.09 C ATOM 798 CG GLU A 388 1.374 -11.252 -2.405 1.00 0.15 C ATOM 799 CD GLU A 388 1.469 -12.692 -2.860 1.00 0.38 C ATOM 800 OE1 GLU A 388 0.549 -13.161 -3.560 1.00 0.69 O ATOM 801 OE2 GLU A 388 2.465 -13.364 -2.525 1.00 0.71 O1- ATOM 0 H GLU A 388 3.737 -8.544 -3.318 1.00 0.09 H new ATOM 0 HA GLU A 388 3.479 -11.406 -3.947 1.00 0.10 H new ATOM 0 HB2 GLU A 388 1.514 -9.277 -3.095 1.00 0.09 H new ATOM 0 HB3 GLU A 388 0.954 -10.432 -4.288 1.00 0.09 H new ATOM 0 HG2 GLU A 388 2.069 -11.091 -1.580 1.00 0.15 H new ATOM 0 HG3 GLU A 388 0.372 -11.065 -2.019 1.00 0.15 H new ATOM 808 N GLU A 389 2.673 -11.081 -6.247 1.00 0.10 N ATOM 809 CA GLU A 389 2.370 -10.996 -7.649 1.00 0.11 C ATOM 810 C GLU A 389 1.157 -11.843 -7.922 1.00 0.16 C ATOM 811 O GLU A 389 1.139 -13.031 -7.582 1.00 0.28 O ATOM 812 CB GLU A 389 3.514 -11.490 -8.507 1.00 0.14 C ATOM 813 CG GLU A 389 4.648 -10.514 -8.611 1.00 0.16 C ATOM 814 CD GLU A 389 5.699 -10.947 -9.613 1.00 0.27 C ATOM 815 OE1 GLU A 389 6.440 -11.916 -9.324 1.00 0.33 O1- ATOM 816 OE2 GLU A 389 5.799 -10.323 -10.686 1.00 0.38 O ATOM 0 H GLU A 389 2.602 -12.030 -5.881 1.00 0.10 H new ATOM 0 HA GLU A 389 2.193 -9.950 -7.899 1.00 0.11 H new ATOM 0 HB2 GLU A 389 3.888 -12.427 -8.095 1.00 0.14 H new ATOM 0 HB3 GLU A 389 3.140 -11.708 -9.507 1.00 0.14 H new ATOM 0 HG2 GLU A 389 4.257 -9.538 -8.899 1.00 0.16 H new ATOM 0 HG3 GLU A 389 5.112 -10.396 -7.632 1.00 0.16 H new ATOM 823 N ASP A 390 0.166 -11.238 -8.542 1.00 0.12 N ATOM 824 CA ASP A 390 -1.108 -11.892 -8.787 1.00 0.15 C ATOM 825 C ASP A 390 -1.703 -12.346 -7.454 1.00 0.16 C ATOM 826 O ASP A 390 -2.019 -13.513 -7.213 1.00 0.25 O ATOM 827 CB ASP A 390 -0.896 -13.030 -9.773 1.00 0.19 C ATOM 828 CG ASP A 390 -2.138 -13.870 -10.001 1.00 0.28 C ATOM 829 OD1 ASP A 390 -3.171 -13.309 -10.428 1.00 0.41 O ATOM 830 OD2 ASP A 390 -2.086 -15.095 -9.763 1.00 0.36 O1- ATOM 0 H ASP A 390 0.218 -10.281 -8.891 1.00 0.12 H new ATOM 0 HA ASP A 390 -1.828 -11.209 -9.237 1.00 0.15 H new ATOM 0 HB2 ASP A 390 -0.565 -12.618 -10.726 1.00 0.19 H new ATOM 0 HB3 ASP A 390 -0.094 -13.672 -9.408 1.00 0.19 H new ATOM 835 N ALA A 391 -1.780 -11.364 -6.576 1.00 0.12 N ATOM 836 CA ALA A 391 -2.381 -11.485 -5.266 1.00 0.11 C ATOM 837 C ALA A 391 -3.846 -11.155 -5.380 1.00 0.10 C ATOM 838 O ALA A 391 -4.280 -10.638 -6.396 1.00 0.11 O ATOM 839 CB ALA A 391 -1.727 -10.494 -4.338 1.00 0.10 C ATOM 0 H ALA A 391 -1.413 -10.431 -6.763 1.00 0.12 H new ATOM 0 HA ALA A 391 -2.251 -12.496 -4.881 1.00 0.11 H new ATOM 0 HB1 ALA A 391 -2.172 -10.576 -3.346 1.00 0.10 H new ATOM 0 HB2 ALA A 391 -0.659 -10.704 -4.275 1.00 0.10 H new ATOM 0 HB3 ALA A 391 -1.876 -9.484 -4.720 1.00 0.10 H new ATOM 845 N THR A 392 -4.621 -11.464 -4.376 1.00 0.11 N ATOM 846 CA THR A 392 -5.990 -10.998 -4.357 1.00 0.11 C ATOM 847 C THR A 392 -6.361 -10.404 -3.026 1.00 0.11 C ATOM 848 O THR A 392 -6.305 -11.053 -1.982 1.00 0.14 O ATOM 849 CB THR A 392 -7.007 -12.078 -4.755 1.00 0.15 C ATOM 850 OG1 THR A 392 -6.645 -12.656 -6.014 1.00 0.17 O ATOM 851 CG2 THR A 392 -8.394 -11.472 -4.866 1.00 0.15 C ATOM 0 H THR A 392 -4.340 -12.025 -3.572 1.00 0.11 H new ATOM 0 HA THR A 392 -6.037 -10.217 -5.116 1.00 0.11 H new ATOM 0 HB THR A 392 -7.008 -12.852 -3.987 1.00 0.15 H new ATOM 0 HG1 THR A 392 -7.299 -13.344 -6.258 1.00 0.17 H new ATOM 0 HG21 THR A 392 -9.108 -12.246 -5.149 1.00 0.15 H new ATOM 0 HG22 THR A 392 -8.683 -11.046 -3.905 1.00 0.15 H new ATOM 0 HG23 THR A 392 -8.389 -10.689 -5.624 1.00 0.15 H new ATOM 859 N LEU A 393 -6.730 -9.152 -3.091 1.00 0.10 N ATOM 860 CA LEU A 393 -7.092 -8.389 -1.928 1.00 0.12 C ATOM 861 C LEU A 393 -8.457 -8.736 -1.406 1.00 0.15 C ATOM 862 O LEU A 393 -9.459 -8.130 -1.772 1.00 0.16 O ATOM 863 CB LEU A 393 -7.032 -6.943 -2.299 1.00 0.11 C ATOM 864 CG LEU A 393 -5.781 -6.568 -3.049 1.00 0.25 C ATOM 865 CD1 LEU A 393 -5.573 -5.095 -3.062 1.00 0.57 C ATOM 866 CD2 LEU A 393 -4.577 -7.298 -2.533 1.00 0.51 C ATOM 0 H LEU A 393 -6.788 -8.628 -3.964 1.00 0.10 H new ATOM 0 HA LEU A 393 -6.394 -8.622 -1.124 1.00 0.12 H new ATOM 0 HB2 LEU A 393 -7.900 -6.696 -2.910 1.00 0.11 H new ATOM 0 HB3 LEU A 393 -7.098 -6.340 -1.393 1.00 0.11 H new ATOM 0 HG LEU A 393 -5.920 -6.884 -4.083 1.00 0.25 H new ATOM 0 HD11 LEU A 393 -4.661 -4.861 -3.612 1.00 0.57 H new ATOM 0 HD12 LEU A 393 -6.422 -4.612 -3.545 1.00 0.57 H new ATOM 0 HD13 LEU A 393 -5.483 -4.731 -2.038 1.00 0.57 H new ATOM 0 HD21 LEU A 393 -3.698 -6.997 -3.102 1.00 0.51 H new ATOM 0 HD22 LEU A 393 -4.428 -7.056 -1.481 1.00 0.51 H new ATOM 0 HD23 LEU A 393 -4.729 -8.372 -2.640 1.00 0.51 H new ATOM 878 N LYS A 394 -8.474 -9.705 -0.560 1.00 0.18 N ATOM 879 CA LYS A 394 -9.686 -10.167 0.054 1.00 0.23 C ATOM 880 C LYS A 394 -9.836 -9.747 1.484 1.00 0.29 C ATOM 881 O LYS A 394 -8.980 -9.068 2.056 1.00 0.29 O ATOM 882 CB LYS A 394 -9.645 -11.627 -0.048 1.00 0.25 C ATOM 883 CG LYS A 394 -9.672 -12.020 -1.450 1.00 0.23 C ATOM 884 CD LYS A 394 -10.143 -13.375 -1.547 1.00 0.27 C ATOM 885 CE LYS A 394 -9.520 -13.920 -2.755 1.00 0.27 C ATOM 886 NZ LYS A 394 -9.799 -15.360 -2.979 1.00 0.33 N1+ ATOM 0 H LYS A 394 -7.639 -10.212 -0.265 1.00 0.18 H new ATOM 0 HA LYS A 394 -10.545 -9.728 -0.454 1.00 0.23 H new ATOM 0 HB2 LYS A 394 -8.743 -12.010 0.430 1.00 0.25 H new ATOM 0 HB3 LYS A 394 -10.494 -12.062 0.479 1.00 0.25 H new ATOM 0 HG2 LYS A 394 -10.323 -11.354 -2.015 1.00 0.23 H new ATOM 0 HG3 LYS A 394 -8.676 -11.936 -1.884 1.00 0.23 H new ATOM 0 HD2 LYS A 394 -9.862 -13.952 -0.666 1.00 0.27 H new ATOM 0 HD3 LYS A 394 -11.230 -13.409 -1.617 1.00 0.27 H new ATOM 0 HE2 LYS A 394 -9.869 -13.354 -3.619 1.00 0.27 H new ATOM 0 HE3 LYS A 394 -8.442 -13.774 -2.693 1.00 0.27 H new ATOM 0 HZ1 LYS A 394 -9.326 -15.674 -3.851 1.00 0.33 H new ATOM 0 HZ2 LYS A 394 -9.442 -15.912 -2.173 1.00 0.33 H new ATOM 0 HZ3 LYS A 394 -10.825 -15.505 -3.070 1.00 0.33 H new ATOM 1015 N GLU A 404 -12.972 -8.843 -2.712 1.00 0.25 N ATOM 1016 CA GLU A 404 -11.760 -9.287 -3.361 1.00 0.21 C ATOM 1017 C GLU A 404 -11.262 -8.223 -4.315 1.00 0.20 C ATOM 1018 O GLU A 404 -12.046 -7.482 -4.902 1.00 0.23 O ATOM 1019 CB GLU A 404 -11.989 -10.563 -4.152 1.00 0.22 C ATOM 1020 CG GLU A 404 -12.228 -11.787 -3.295 1.00 0.24 C ATOM 1021 CD GLU A 404 -13.588 -12.409 -3.531 1.00 0.31 C ATOM 1022 OE1 GLU A 404 -13.719 -13.217 -4.472 1.00 0.39 O1- ATOM 1023 OE2 GLU A 404 -14.533 -12.084 -2.787 1.00 0.53 O ATOM 0 HA GLU A 404 -11.024 -9.476 -2.579 1.00 0.21 H new ATOM 0 HB2 GLU A 404 -12.846 -10.421 -4.810 1.00 0.22 H new ATOM 0 HB3 GLU A 404 -11.123 -10.743 -4.790 1.00 0.22 H new ATOM 0 HG2 GLU A 404 -11.454 -12.526 -3.501 1.00 0.24 H new ATOM 0 HG3 GLU A 404 -12.136 -11.513 -2.244 1.00 0.24 H new ATOM 1030 N SER A 405 -9.956 -8.125 -4.437 1.00 0.16 N ATOM 1031 CA SER A 405 -9.360 -7.290 -5.441 1.00 0.15 C ATOM 1032 C SER A 405 -8.108 -7.954 -5.922 1.00 0.13 C ATOM 1033 O SER A 405 -7.060 -7.838 -5.301 1.00 0.11 O ATOM 1034 CB SER A 405 -8.983 -5.935 -4.871 1.00 0.15 C ATOM 1035 OG SER A 405 -9.792 -5.604 -3.753 1.00 0.19 O ATOM 0 H SER A 405 -9.288 -8.619 -3.846 1.00 0.16 H new ATOM 0 HA SER A 405 -10.078 -7.148 -6.249 1.00 0.15 H new ATOM 0 HB2 SER A 405 -7.934 -5.942 -4.575 1.00 0.15 H new ATOM 0 HB3 SER A 405 -9.092 -5.171 -5.641 1.00 0.15 H new ATOM 0 HG SER A 405 -9.526 -4.727 -3.405 1.00 0.19 H new ATOM 1041 N PRO A 406 -8.177 -8.656 -7.027 1.00 0.15 N ATOM 1042 CA PRO A 406 -7.038 -9.370 -7.520 1.00 0.14 C ATOM 1043 C PRO A 406 -6.006 -8.404 -8.028 1.00 0.13 C ATOM 1044 O PRO A 406 -6.149 -7.775 -9.080 1.00 0.17 O ATOM 1045 CB PRO A 406 -7.607 -10.275 -8.609 1.00 0.18 C ATOM 1046 CG PRO A 406 -9.080 -10.203 -8.414 1.00 0.19 C ATOM 1047 CD PRO A 406 -9.340 -8.842 -7.867 1.00 0.18 C ATOM 0 HA PRO A 406 -6.522 -9.958 -6.761 1.00 0.14 H new ATOM 0 HB2 PRO A 406 -7.320 -9.931 -9.603 1.00 0.18 H new ATOM 0 HB3 PRO A 406 -7.242 -11.297 -8.508 1.00 0.18 H new ATOM 0 HG2 PRO A 406 -9.609 -10.356 -9.355 1.00 0.19 H new ATOM 0 HG3 PRO A 406 -9.424 -10.975 -7.726 1.00 0.19 H new ATOM 0 HD2 PRO A 406 -9.407 -8.088 -8.651 1.00 0.18 H new ATOM 0 HD3 PRO A 406 -10.270 -8.796 -7.300 1.00 0.18 H new ATOM 1055 N VAL A 407 -4.964 -8.327 -7.255 1.00 0.10 N ATOM 1056 CA VAL A 407 -3.959 -7.342 -7.386 1.00 0.09 C ATOM 1057 C VAL A 407 -2.721 -7.991 -7.977 1.00 0.11 C ATOM 1058 O VAL A 407 -2.509 -9.187 -7.840 1.00 0.15 O ATOM 1059 CB VAL A 407 -3.742 -6.782 -5.971 1.00 0.08 C ATOM 1060 CG1 VAL A 407 -2.504 -7.261 -5.299 1.00 0.07 C ATOM 1061 CG2 VAL A 407 -3.908 -5.297 -5.890 1.00 0.08 C ATOM 0 H VAL A 407 -4.794 -8.979 -6.489 1.00 0.10 H new ATOM 0 HA VAL A 407 -4.223 -6.524 -8.057 1.00 0.09 H new ATOM 0 HB VAL A 407 -4.557 -7.212 -5.388 1.00 0.08 H new ATOM 0 HG11 VAL A 407 -2.433 -6.815 -4.307 1.00 0.07 H new ATOM 0 HG12 VAL A 407 -2.536 -8.347 -5.208 1.00 0.07 H new ATOM 0 HG13 VAL A 407 -1.635 -6.973 -5.890 1.00 0.07 H new ATOM 0 HG21 VAL A 407 -3.741 -4.968 -4.864 1.00 0.08 H new ATOM 0 HG22 VAL A 407 -3.186 -4.814 -6.548 1.00 0.08 H new ATOM 0 HG23 VAL A 407 -4.918 -5.026 -6.198 1.00 0.08 H new ATOM 1071 N ASN A 408 -1.930 -7.220 -8.667 1.00 0.11 N ATOM 1072 CA ASN A 408 -0.786 -7.759 -9.373 1.00 0.12 C ATOM 1073 C ASN A 408 0.379 -7.825 -8.426 1.00 0.10 C ATOM 1074 O ASN A 408 1.327 -8.570 -8.651 1.00 0.11 O ATOM 1075 CB ASN A 408 -0.458 -6.872 -10.569 1.00 0.15 C ATOM 1076 CG ASN A 408 -1.515 -6.915 -11.664 1.00 0.19 C ATOM 1077 OD1 ASN A 408 -2.774 -7.067 -11.279 1.00 0.51 O flip ATOM 1078 ND2 ASN A 408 -1.200 -6.806 -12.849 1.00 0.38 N flip ATOM 0 H ASN A 408 -2.051 -6.211 -8.760 1.00 0.11 H new ATOM 0 HA ASN A 408 -1.007 -8.761 -9.740 1.00 0.12 H new ATOM 0 HB2 ASN A 408 -0.341 -5.843 -10.228 1.00 0.15 H new ATOM 0 HB3 ASN A 408 0.500 -7.179 -10.988 1.00 0.15 H new ATOM 0 HD21 ASN A 408 -0.220 -6.690 -13.108 1.00 0.38 H new ATOM 0 HD22 ASN A 408 -1.919 -6.831 -13.572 1.00 0.38 H new ATOM 1085 N TYR A 409 0.280 -7.060 -7.351 1.00 0.08 N ATOM 1086 CA TYR A 409 1.382 -6.866 -6.422 1.00 0.06 C ATOM 1087 C TYR A 409 0.826 -6.424 -5.086 1.00 0.06 C ATOM 1088 O TYR A 409 0.106 -5.429 -5.000 1.00 0.06 O ATOM 1089 CB TYR A 409 2.413 -5.844 -6.936 1.00 0.06 C ATOM 1090 CG TYR A 409 3.063 -6.246 -8.238 1.00 0.08 C ATOM 1091 CD1 TYR A 409 2.496 -5.890 -9.452 1.00 0.13 C ATOM 1092 CD2 TYR A 409 4.215 -7.014 -8.254 1.00 0.11 C ATOM 1093 CE1 TYR A 409 3.056 -6.289 -10.644 1.00 0.18 C ATOM 1094 CE2 TYR A 409 4.783 -7.418 -9.445 1.00 0.17 C ATOM 1095 CZ TYR A 409 4.199 -7.057 -10.638 1.00 0.17 C ATOM 1096 OH TYR A 409 4.766 -7.463 -11.826 1.00 0.27 O ATOM 0 H TYR A 409 -0.569 -6.555 -7.097 1.00 0.08 H new ATOM 0 HA TYR A 409 1.908 -7.815 -6.319 1.00 0.06 H new ATOM 0 HB2 TYR A 409 1.922 -4.879 -7.067 1.00 0.06 H new ATOM 0 HB3 TYR A 409 3.186 -5.708 -6.180 1.00 0.06 H new ATOM 0 HD1 TYR A 409 1.599 -5.289 -9.462 1.00 0.13 H new ATOM 0 HD2 TYR A 409 4.676 -7.301 -7.320 1.00 0.11 H new ATOM 0 HE1 TYR A 409 2.601 -6.001 -11.580 1.00 0.18 H new ATOM 0 HE2 TYR A 409 5.683 -8.015 -9.441 1.00 0.17 H new ATOM 0 HH TYR A 409 5.135 -8.365 -11.721 1.00 0.27 H new ATOM 1106 N TRP A 410 1.191 -7.142 -4.051 1.00 0.06 N ATOM 1107 CA TRP A 410 0.547 -7.015 -2.760 1.00 0.06 C ATOM 1108 C TRP A 410 1.534 -7.203 -1.639 1.00 0.06 C ATOM 1109 O TRP A 410 2.374 -8.090 -1.665 1.00 0.09 O ATOM 1110 CB TRP A 410 -0.548 -8.062 -2.698 1.00 0.07 C ATOM 1111 CG TRP A 410 -1.197 -8.258 -1.384 1.00 0.07 C ATOM 1112 CD1 TRP A 410 -1.373 -9.437 -0.786 1.00 0.08 C ATOM 1113 CD2 TRP A 410 -1.763 -7.271 -0.538 1.00 0.06 C ATOM 1114 NE1 TRP A 410 -2.058 -9.270 0.396 1.00 0.08 N ATOM 1115 CE2 TRP A 410 -2.302 -7.923 0.576 1.00 0.07 C ATOM 1116 CE3 TRP A 410 -1.861 -5.905 -0.630 1.00 0.06 C ATOM 1117 CZ2 TRP A 410 -2.949 -7.217 1.603 1.00 0.07 C ATOM 1118 CZ3 TRP A 410 -2.484 -5.203 0.363 1.00 0.07 C ATOM 1119 CH2 TRP A 410 -3.029 -5.852 1.476 1.00 0.07 C ATOM 0 H TRP A 410 1.942 -7.831 -4.077 1.00 0.06 H new ATOM 0 HA TRP A 410 0.128 -6.015 -2.643 1.00 0.06 H new ATOM 0 HB2 TRP A 410 -1.317 -7.795 -3.422 1.00 0.07 H new ATOM 0 HB3 TRP A 410 -0.127 -9.016 -3.017 1.00 0.07 H new ATOM 0 HD1 TRP A 410 -1.028 -10.385 -1.173 1.00 0.08 H new ATOM 0 HE1 TRP A 410 -2.338 -10.016 1.032 1.00 0.08 H new ATOM 0 HE3 TRP A 410 -1.448 -5.388 -1.483 1.00 0.06 H new ATOM 0 HZ2 TRP A 410 -3.367 -7.727 2.458 1.00 0.07 H new ATOM 0 HZ3 TRP A 410 -2.557 -4.128 0.287 1.00 0.07 H new ATOM 0 HH2 TRP A 410 -3.519 -5.272 2.245 1.00 0.07 H new ATOM 1130 N MET A 411 1.460 -6.330 -0.679 1.00 0.08 N ATOM 1131 CA MET A 411 2.234 -6.479 0.517 1.00 0.09 C ATOM 1132 C MET A 411 1.268 -6.657 1.674 1.00 0.12 C ATOM 1133 O MET A 411 0.767 -5.664 2.210 1.00 0.14 O ATOM 1134 CB MET A 411 3.115 -5.256 0.742 1.00 0.10 C ATOM 1135 CG MET A 411 3.833 -4.745 -0.500 1.00 0.09 C ATOM 1136 SD MET A 411 4.997 -5.929 -1.183 1.00 0.06 S ATOM 1137 CE MET A 411 5.894 -4.905 -2.342 1.00 0.06 C ATOM 0 H MET A 411 0.866 -5.501 -0.702 1.00 0.08 H new ATOM 0 HA MET A 411 2.891 -7.345 0.435 1.00 0.09 H new ATOM 0 HB2 MET A 411 2.499 -4.452 1.144 1.00 0.10 H new ATOM 0 HB3 MET A 411 3.859 -5.497 1.501 1.00 0.10 H new ATOM 0 HG2 MET A 411 3.094 -4.492 -1.260 1.00 0.09 H new ATOM 0 HG3 MET A 411 4.363 -3.826 -0.252 1.00 0.09 H new ATOM 0 HE1 MET A 411 5.573 -5.138 -3.357 1.00 0.06 H new ATOM 0 HE2 MET A 411 5.694 -3.855 -2.130 1.00 0.06 H new ATOM 0 HE3 MET A 411 6.963 -5.098 -2.246 1.00 0.06 H new ATOM 1147 N PRO A 412 0.944 -7.911 2.046 1.00 0.13 N ATOM 1148 CA PRO A 412 -0.001 -8.191 3.123 1.00 0.19 C ATOM 1149 C PRO A 412 0.525 -7.791 4.492 1.00 0.25 C ATOM 1150 O PRO A 412 0.788 -8.640 5.343 1.00 0.50 O ATOM 1151 CB PRO A 412 -0.222 -9.702 3.050 1.00 0.24 C ATOM 1152 CG PRO A 412 0.995 -10.228 2.374 1.00 0.23 C ATOM 1153 CD PRO A 412 1.448 -9.148 1.428 1.00 0.16 C ATOM 0 HA PRO A 412 -0.918 -7.615 2.999 1.00 0.19 H new ATOM 0 HB2 PRO A 412 -0.341 -10.134 4.044 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -1.124 -9.944 2.487 1.00 0.24 H new ATOM 0 HG2 PRO A 412 1.774 -10.462 3.100 1.00 0.23 H new ATOM 0 HG3 PRO A 412 0.774 -11.150 1.836 1.00 0.23 H new ATOM 0 HD2 PRO A 412 2.533 -9.132 1.328 1.00 0.16 H new ATOM 0 HD3 PRO A 412 1.038 -9.293 0.429 1.00 0.16 H new ATOM 1237 N VAL A 418 -4.044 -2.090 7.358 1.00 0.32 N ATOM 1238 CA VAL A 418 -3.528 -1.578 6.093 1.00 0.26 C ATOM 1239 C VAL A 418 -2.891 -2.678 5.237 1.00 0.24 C ATOM 1240 O VAL A 418 -2.742 -3.819 5.669 1.00 0.27 O ATOM 1241 CB VAL A 418 -2.472 -0.490 6.390 1.00 0.25 C ATOM 1242 CG1 VAL A 418 -1.966 0.212 5.125 1.00 0.75 C ATOM 1243 CG2 VAL A 418 -3.044 0.521 7.351 1.00 0.75 C ATOM 0 HA VAL A 418 -4.366 -1.168 5.530 1.00 0.26 H new ATOM 0 HB VAL A 418 -1.612 -0.988 6.836 1.00 0.25 H new ATOM 0 HG11 VAL A 418 -1.227 0.965 5.398 1.00 0.75 H new ATOM 0 HG12 VAL A 418 -1.509 -0.521 4.460 1.00 0.75 H new ATOM 0 HG13 VAL A 418 -2.802 0.692 4.616 1.00 0.75 H new ATOM 0 HG21 VAL A 418 -2.298 1.288 7.559 1.00 0.75 H new ATOM 0 HG22 VAL A 418 -3.926 0.984 6.909 1.00 0.75 H new ATOM 0 HG23 VAL A 418 -3.322 0.023 8.280 1.00 0.75 H new ATOM 1253 N GLY A 419 -2.539 -2.316 4.016 1.00 0.20 N ATOM 1254 CA GLY A 419 -1.756 -3.162 3.162 1.00 0.18 C ATOM 1255 C GLY A 419 -1.494 -2.470 1.864 1.00 0.14 C ATOM 1256 O GLY A 419 -2.419 -2.101 1.153 1.00 0.15 O ATOM 0 H GLY A 419 -2.794 -1.422 3.596 1.00 0.20 H new ATOM 0 HA2 GLY A 419 -0.813 -3.411 3.648 1.00 0.18 H new ATOM 0 HA3 GLY A 419 -2.281 -4.101 2.984 1.00 0.18 H new ATOM 1260 N ILE A 420 -0.242 -2.283 1.554 1.00 0.10 N ATOM 1261 CA ILE A 420 0.124 -1.582 0.354 1.00 0.08 C ATOM 1262 C ILE A 420 0.057 -2.523 -0.841 1.00 0.08 C ATOM 1263 O ILE A 420 0.415 -3.699 -0.738 1.00 0.09 O ATOM 1264 CB ILE A 420 1.551 -1.019 0.455 1.00 0.07 C ATOM 1265 CG1 ILE A 420 1.604 0.265 1.290 1.00 0.08 C ATOM 1266 CG2 ILE A 420 2.111 -0.775 -0.926 1.00 0.08 C ATOM 1267 CD1 ILE A 420 1.742 0.034 2.776 1.00 0.29 C ATOM 0 H ILE A 420 0.545 -2.607 2.117 1.00 0.10 H new ATOM 0 HA ILE A 420 -0.578 -0.758 0.225 1.00 0.08 H new ATOM 0 HB ILE A 420 2.164 -1.762 0.966 1.00 0.07 H new ATOM 0 HG12 ILE A 420 2.443 0.872 0.949 1.00 0.08 H new ATOM 0 HG13 ILE A 420 0.698 0.842 1.106 1.00 0.08 H new ATOM 0 HG21 ILE A 420 3.122 -0.376 -0.843 1.00 0.08 H new ATOM 0 HG22 ILE A 420 2.135 -1.713 -1.480 1.00 0.08 H new ATOM 0 HG23 ILE A 420 1.481 -0.059 -1.453 1.00 0.08 H new ATOM 0 HD11 ILE A 420 1.772 0.994 3.292 1.00 0.29 H new ATOM 0 HD12 ILE A 420 0.891 -0.545 3.135 1.00 0.29 H new ATOM 0 HD13 ILE A 420 2.663 -0.514 2.975 1.00 0.29 H new ATOM 1279 N HIS A 421 -0.404 -2.001 -1.969 1.00 0.07 N ATOM 1280 CA HIS A 421 -0.620 -2.827 -3.144 1.00 0.06 C ATOM 1281 C HIS A 421 -0.618 -1.993 -4.406 1.00 0.07 C ATOM 1282 O HIS A 421 -0.806 -0.781 -4.357 1.00 0.08 O ATOM 1283 CB HIS A 421 -1.958 -3.527 -3.013 1.00 0.06 C ATOM 1284 CG HIS A 421 -3.133 -2.623 -2.978 1.00 0.07 C ATOM 1285 ND1 HIS A 421 -3.687 -2.015 -4.077 1.00 0.08 N ATOM 1286 CD2 HIS A 421 -3.865 -2.245 -1.917 1.00 0.07 C ATOM 1287 CE1 HIS A 421 -4.723 -1.288 -3.655 1.00 0.09 C ATOM 1288 NE2 HIS A 421 -4.879 -1.394 -2.346 1.00 0.08 N ATOM 0 H HIS A 421 -0.634 -1.015 -2.093 1.00 0.07 H new ATOM 0 HA HIS A 421 0.189 -3.554 -3.212 1.00 0.06 H new ATOM 0 HB2 HIS A 421 -2.074 -4.218 -3.848 1.00 0.06 H new ATOM 0 HB3 HIS A 421 -1.951 -4.126 -2.102 1.00 0.06 H new ATOM 0 HD1 HIS A 421 -3.365 -2.103 -5.041 1.00 0.08 H new ATOM 0 HD2 HIS A 421 -3.694 -2.552 -0.896 1.00 0.07 H new ATOM 0 HE1 HIS A 421 -5.352 -0.691 -4.298 1.00 0.09 H new ATOM 0 HE2 HIS A 421 -5.593 -0.946 -1.771 1.00 0.08 H new ATOM 1296 N ASP A 422 -0.419 -2.653 -5.537 1.00 0.07 N ATOM 1297 CA ASP A 422 -0.550 -2.007 -6.822 1.00 0.07 C ATOM 1298 C ASP A 422 -2.025 -2.025 -7.216 1.00 0.11 C ATOM 1299 O ASP A 422 -2.759 -2.917 -6.828 1.00 0.20 O ATOM 1300 CB ASP A 422 0.298 -2.729 -7.871 1.00 0.09 C ATOM 1301 CG ASP A 422 -0.471 -3.803 -8.628 1.00 0.65 C ATOM 1302 OD1 ASP A 422 -0.929 -4.778 -7.999 1.00 1.07 O1- ATOM 1303 OD2 ASP A 422 -0.628 -3.661 -9.859 1.00 0.80 O ATOM 0 H ASP A 422 -0.165 -3.640 -5.584 1.00 0.07 H new ATOM 0 HA ASP A 422 -0.195 -0.978 -6.762 1.00 0.07 H new ATOM 0 HB2 ASP A 422 0.684 -1.999 -8.582 1.00 0.09 H new ATOM 0 HB3 ASP A 422 1.159 -3.184 -7.382 1.00 0.09 H new ATOM 1308 N SER A 423 -2.468 -1.023 -7.933 1.00 0.09 N ATOM 1309 CA SER A 423 -3.885 -0.865 -8.208 1.00 0.11 C ATOM 1310 C SER A 423 -4.090 -0.551 -9.661 1.00 0.14 C ATOM 1311 O SER A 423 -4.029 0.597 -10.087 1.00 0.17 O ATOM 1312 CB SER A 423 -4.479 0.240 -7.324 1.00 0.14 C ATOM 1313 OG SER A 423 -5.849 0.427 -7.594 1.00 0.23 O ATOM 0 H SER A 423 -1.873 -0.301 -8.339 1.00 0.09 H new ATOM 0 HA SER A 423 -4.399 -1.798 -7.977 1.00 0.11 H new ATOM 0 HB2 SER A 423 -4.345 -0.019 -6.274 1.00 0.14 H new ATOM 0 HB3 SER A 423 -3.942 1.173 -7.493 1.00 0.14 H new ATOM 0 HG SER A 423 -6.203 1.135 -7.016 1.00 0.23 H new ATOM 1319 N ASP A 424 -4.373 -1.597 -10.406 1.00 0.16 N ATOM 1320 CA ASP A 424 -4.533 -1.502 -11.838 1.00 0.21 C ATOM 1321 C ASP A 424 -5.935 -1.031 -12.171 1.00 0.24 C ATOM 1322 O ASP A 424 -6.209 -0.523 -13.258 1.00 0.27 O ATOM 1323 CB ASP A 424 -4.243 -2.858 -12.463 1.00 0.24 C ATOM 1324 CG ASP A 424 -4.568 -2.918 -13.941 1.00 0.32 C ATOM 1325 OD1 ASP A 424 -3.780 -2.381 -14.749 1.00 0.42 O1- ATOM 1326 OD2 ASP A 424 -5.623 -3.481 -14.299 1.00 0.37 O ATOM 0 H ASP A 424 -4.499 -2.538 -10.034 1.00 0.16 H new ATOM 0 HA ASP A 424 -3.831 -0.774 -12.245 1.00 0.21 H new ATOM 0 HB2 ASP A 424 -3.190 -3.099 -12.320 1.00 0.24 H new ATOM 0 HB3 ASP A 424 -4.818 -3.622 -11.940 1.00 0.24 H new ATOM 1386 N GLU A 428 -6.833 6.758 -11.058 1.00 0.31 N ATOM 1387 CA GLU A 428 -6.335 7.956 -10.439 1.00 0.22 C ATOM 1388 C GLU A 428 -5.391 7.686 -9.293 1.00 0.21 C ATOM 1389 O GLU A 428 -5.443 6.653 -8.625 1.00 0.29 O ATOM 1390 CB GLU A 428 -7.468 8.771 -9.877 1.00 0.34 C ATOM 1391 CG GLU A 428 -8.380 7.981 -8.999 1.00 1.11 C ATOM 1392 CD GLU A 428 -9.467 7.254 -9.749 1.00 1.56 C ATOM 1393 OE1 GLU A 428 -9.812 7.696 -10.859 1.00 1.48 O ATOM 1394 OE2 GLU A 428 -9.969 6.236 -9.238 1.00 2.16 O1- ATOM 0 HA GLU A 428 -5.802 8.485 -11.229 1.00 0.22 H new ATOM 0 HB2 GLU A 428 -7.059 9.606 -9.308 1.00 0.34 H new ATOM 0 HB3 GLU A 428 -8.044 9.197 -10.699 1.00 0.34 H new ATOM 0 HG2 GLU A 428 -7.791 7.256 -8.438 1.00 1.11 H new ATOM 0 HG3 GLU A 428 -8.839 8.650 -8.271 1.00 1.11 H new ATOM 1401 N TYR A 429 -4.544 8.675 -9.094 1.00 0.17 N ATOM 1402 CA TYR A 429 -3.649 8.793 -7.967 1.00 0.14 C ATOM 1403 C TYR A 429 -3.244 10.231 -7.946 1.00 0.17 C ATOM 1404 O TYR A 429 -2.894 10.800 -8.981 1.00 0.21 O ATOM 1405 CB TYR A 429 -2.371 7.950 -8.002 1.00 0.12 C ATOM 1406 CG TYR A 429 -2.510 6.587 -8.614 1.00 0.13 C ATOM 1407 CD1 TYR A 429 -2.706 6.439 -9.973 1.00 0.18 C ATOM 1408 CD2 TYR A 429 -2.441 5.450 -7.823 1.00 0.15 C ATOM 1409 CE1 TYR A 429 -2.832 5.185 -10.533 1.00 0.25 C ATOM 1410 CE2 TYR A 429 -2.565 4.198 -8.371 1.00 0.20 C ATOM 1411 CZ TYR A 429 -2.767 4.086 -9.759 1.00 0.25 C ATOM 1412 OH TYR A 429 -2.894 2.818 -10.264 1.00 0.33 O ATOM 0 H TYR A 429 -4.459 9.454 -9.747 1.00 0.17 H new ATOM 0 HA TYR A 429 -4.187 8.427 -7.093 1.00 0.14 H new ATOM 0 HB2 TYR A 429 -1.609 8.500 -8.554 1.00 0.12 H new ATOM 0 HB3 TYR A 429 -2.005 7.835 -6.982 1.00 0.12 H new ATOM 0 HD1 TYR A 429 -2.761 7.314 -10.604 1.00 0.18 H new ATOM 0 HD2 TYR A 429 -2.287 5.551 -6.759 1.00 0.15 H new ATOM 0 HE1 TYR A 429 -2.984 5.084 -11.598 1.00 0.25 H new ATOM 0 HE2 TYR A 429 -2.509 3.317 -7.750 1.00 0.20 H new ATOM 0 HH TYR A 429 -3.525 2.308 -9.714 1.00 0.33 H new ATOM 1422 N GLY A 430 -3.340 10.823 -6.811 1.00 0.15 N ATOM 1423 CA GLY A 430 -3.003 12.215 -6.701 1.00 0.17 C ATOM 1424 C GLY A 430 -3.463 12.767 -5.404 1.00 0.17 C ATOM 1425 O GLY A 430 -3.630 12.011 -4.448 1.00 0.16 O ATOM 0 H GLY A 430 -3.646 10.379 -5.945 1.00 0.15 H new ATOM 0 HA2 GLY A 430 -1.924 12.341 -6.793 1.00 0.17 H new ATOM 0 HA3 GLY A 430 -3.460 12.770 -7.520 1.00 0.17 H new ATOM 1429 N GLY A 431 -3.616 14.084 -5.349 1.00 0.19 N ATOM 1430 CA GLY A 431 -4.312 14.696 -4.241 1.00 0.21 C ATOM 1431 C GLY A 431 -5.571 13.954 -3.898 1.00 0.19 C ATOM 1432 O GLY A 431 -6.020 13.077 -4.639 1.00 0.18 O ATOM 0 H GLY A 431 -3.270 14.736 -6.053 1.00 0.19 H new ATOM 0 HA2 GLY A 431 -3.657 14.723 -3.370 1.00 0.21 H new ATOM 0 HA3 GLY A 431 -4.555 15.729 -4.490 1.00 0.21 H new ATOM 1436 N ASP A 432 -6.199 14.395 -2.848 1.00 0.21 N ATOM 1437 CA ASP A 432 -7.051 13.543 -2.060 1.00 0.21 C ATOM 1438 C ASP A 432 -8.075 12.775 -2.889 1.00 0.18 C ATOM 1439 O ASP A 432 -9.091 13.286 -3.354 1.00 0.23 O ATOM 1440 CB ASP A 432 -7.743 14.415 -1.022 1.00 0.25 C ATOM 1441 CG ASP A 432 -8.668 15.469 -1.618 1.00 1.10 C ATOM 1442 OD1 ASP A 432 -8.162 16.491 -2.130 1.00 1.14 O ATOM 1443 OD2 ASP A 432 -9.903 15.291 -1.560 1.00 1.85 O1- ATOM 0 H ASP A 432 -6.137 15.356 -2.511 1.00 0.21 H new ATOM 0 HA ASP A 432 -6.434 12.779 -1.587 1.00 0.21 H new ATOM 0 HB2 ASP A 432 -8.319 13.777 -0.352 1.00 0.25 H new ATOM 0 HB3 ASP A 432 -6.985 14.912 -0.416 1.00 0.25 H new ATOM 1448 N LEU A 433 -7.726 11.510 -3.088 1.00 0.14 N ATOM 1449 CA LEU A 433 -8.616 10.514 -3.643 1.00 0.13 C ATOM 1450 C LEU A 433 -9.245 9.716 -2.519 1.00 0.12 C ATOM 1451 O LEU A 433 -10.389 9.335 -2.579 1.00 0.14 O ATOM 1452 CB LEU A 433 -7.874 9.546 -4.574 1.00 0.15 C ATOM 1453 CG LEU A 433 -7.712 9.916 -6.023 1.00 0.39 C ATOM 1454 CD1 LEU A 433 -8.171 11.303 -6.324 1.00 1.21 C ATOM 1455 CD2 LEU A 433 -6.311 9.702 -6.438 1.00 1.08 C ATOM 0 H LEU A 433 -6.800 11.148 -2.862 1.00 0.14 H new ATOM 0 HA LEU A 433 -9.378 11.037 -4.221 1.00 0.13 H new ATOM 0 HB2 LEU A 433 -6.878 9.388 -4.160 1.00 0.15 H new ATOM 0 HB3 LEU A 433 -8.391 8.587 -4.534 1.00 0.15 H new ATOM 0 HG LEU A 433 -8.360 9.262 -6.606 1.00 0.39 H new ATOM 0 HD11 LEU A 433 -8.029 11.511 -7.384 1.00 1.21 H new ATOM 0 HD12 LEU A 433 -9.228 11.399 -6.074 1.00 1.21 H new ATOM 0 HD13 LEU A 433 -7.592 12.014 -5.734 1.00 1.21 H new ATOM 0 HD21 LEU A 433 -6.197 9.971 -7.488 1.00 1.08 H new ATOM 0 HD22 LEU A 433 -5.653 10.324 -5.831 1.00 1.08 H new ATOM 0 HD23 LEU A 433 -6.047 8.653 -6.302 1.00 1.08 H new ATOM 1467 N TRP A 434 -8.449 9.455 -1.495 1.00 0.10 N ATOM 1468 CA TRP A 434 -8.820 8.537 -0.419 1.00 0.10 C ATOM 1469 C TRP A 434 -10.149 8.901 0.215 1.00 0.11 C ATOM 1470 O TRP A 434 -10.850 8.044 0.737 1.00 0.15 O ATOM 1471 CB TRP A 434 -7.705 8.503 0.630 1.00 0.10 C ATOM 1472 CG TRP A 434 -7.471 9.822 1.262 1.00 0.10 C ATOM 1473 CD1 TRP A 434 -6.624 10.801 0.839 1.00 0.11 C ATOM 1474 CD2 TRP A 434 -8.115 10.309 2.433 1.00 0.12 C ATOM 1475 NE1 TRP A 434 -6.765 11.907 1.647 1.00 0.13 N ATOM 1476 CE2 TRP A 434 -7.658 11.614 2.645 1.00 0.13 C ATOM 1477 CE3 TRP A 434 -9.052 9.771 3.316 1.00 0.13 C ATOM 1478 CZ2 TRP A 434 -8.113 12.387 3.701 1.00 0.16 C ATOM 1479 CZ3 TRP A 434 -9.494 10.539 4.360 1.00 0.14 C ATOM 1480 CH2 TRP A 434 -9.029 11.837 4.544 1.00 0.16 C ATOM 0 H TRP A 434 -7.525 9.872 -1.382 1.00 0.10 H new ATOM 0 HA TRP A 434 -8.944 7.544 -0.850 1.00 0.10 H new ATOM 0 HB2 TRP A 434 -7.960 7.776 1.401 1.00 0.10 H new ATOM 0 HB3 TRP A 434 -6.782 8.161 0.162 1.00 0.10 H new ATOM 0 HD1 TRP A 434 -5.947 10.722 0.001 1.00 0.11 H new ATOM 0 HE1 TRP A 434 -6.284 12.798 1.523 1.00 0.13 H new ATOM 0 HE3 TRP A 434 -9.422 8.766 3.178 1.00 0.13 H new ATOM 0 HZ2 TRP A 434 -7.752 13.394 3.850 1.00 0.16 H new ATOM 0 HZ3 TRP A 434 -10.215 10.130 5.052 1.00 0.14 H new ATOM 0 HH2 TRP A 434 -9.402 12.420 5.373 1.00 0.16 H new ATOM 1491 N LYS A 435 -10.485 10.179 0.174 1.00 0.12 N ATOM 1492 CA LYS A 435 -11.704 10.659 0.779 1.00 0.14 C ATOM 1493 C LYS A 435 -12.873 10.651 -0.179 1.00 0.17 C ATOM 1494 O LYS A 435 -14.014 10.423 0.212 1.00 0.20 O ATOM 1495 CB LYS A 435 -11.477 12.063 1.299 1.00 0.15 C ATOM 1496 CG LYS A 435 -10.159 12.618 0.847 1.00 0.15 C ATOM 1497 CD LYS A 435 -9.876 13.960 1.434 1.00 0.17 C ATOM 1498 CE LYS A 435 -10.506 14.130 2.793 1.00 0.18 C ATOM 1499 NZ LYS A 435 -10.204 15.450 3.407 1.00 0.22 N1+ ATOM 0 H LYS A 435 -9.924 10.902 -0.276 1.00 0.12 H new ATOM 0 HA LYS A 435 -11.958 9.982 1.595 1.00 0.14 H new ATOM 0 HB2 LYS A 435 -12.282 12.713 0.955 1.00 0.15 H new ATOM 0 HB3 LYS A 435 -11.515 12.058 2.388 1.00 0.15 H new ATOM 0 HG2 LYS A 435 -9.363 11.928 1.125 1.00 0.15 H new ATOM 0 HG3 LYS A 435 -10.152 12.691 -0.241 1.00 0.15 H new ATOM 0 HD2 LYS A 435 -8.798 14.100 1.515 1.00 0.17 H new ATOM 0 HD3 LYS A 435 -10.248 14.734 0.763 1.00 0.17 H new ATOM 0 HE2 LYS A 435 -11.586 14.014 2.705 1.00 0.18 H new ATOM 0 HE3 LYS A 435 -10.153 13.338 3.454 1.00 0.18 H new ATOM 0 HZ1 LYS A 435 -10.662 15.512 4.339 1.00 0.22 H new ATOM 0 HZ2 LYS A 435 -9.175 15.554 3.519 1.00 0.22 H new ATOM 0 HZ3 LYS A 435 -10.564 16.209 2.793 1.00 0.22 H new ATOM 1513 N THR A 436 -12.579 10.929 -1.417 1.00 0.16 N ATOM 1514 CA THR A 436 -13.601 11.043 -2.445 1.00 0.19 C ATOM 1515 C THR A 436 -13.840 9.701 -3.130 1.00 0.19 C ATOM 1516 O THR A 436 -14.975 9.312 -3.418 1.00 0.22 O ATOM 1517 CB THR A 436 -13.166 12.103 -3.476 1.00 0.23 C ATOM 1518 OG1 THR A 436 -12.397 11.515 -4.530 1.00 0.25 O ATOM 1519 CG2 THR A 436 -12.309 13.136 -2.785 1.00 0.21 C ATOM 0 H THR A 436 -11.628 11.085 -1.753 1.00 0.16 H new ATOM 0 HA THR A 436 -14.538 11.349 -1.980 1.00 0.19 H new ATOM 0 HB THR A 436 -14.062 12.554 -3.901 1.00 0.23 H new ATOM 0 HG1 THR A 436 -12.136 12.209 -5.171 1.00 0.25 H new ATOM 0 HG21 THR A 436 -11.996 13.891 -3.506 1.00 0.21 H new ATOM 0 HG22 THR A 436 -12.882 13.611 -1.989 1.00 0.21 H new ATOM 0 HG23 THR A 436 -11.429 12.653 -2.360 1.00 0.21 H new ATOM 1527 N ARG A 437 -12.748 9.008 -3.376 1.00 0.18 N ATOM 1528 CA ARG A 437 -12.756 7.728 -4.049 1.00 0.20 C ATOM 1529 C ARG A 437 -12.758 6.609 -3.021 1.00 0.20 C ATOM 1530 O ARG A 437 -13.074 5.462 -3.334 1.00 0.24 O ATOM 1531 CB ARG A 437 -11.512 7.660 -4.927 1.00 0.24 C ATOM 1532 CG ARG A 437 -11.102 8.999 -5.397 1.00 0.27 C ATOM 1533 CD ARG A 437 -10.497 8.941 -6.756 1.00 0.40 C ATOM 1534 NE ARG A 437 -11.515 8.949 -7.804 1.00 0.71 N ATOM 1535 CZ ARG A 437 -11.527 9.790 -8.841 1.00 1.26 C ATOM 1536 NH1 ARG A 437 -10.578 10.711 -8.975 1.00 1.82 N1+ ATOM 1537 NH2 ARG A 437 -12.498 9.714 -9.742 1.00 1.47 N ATOM 0 H ARG A 437 -11.816 9.324 -3.109 1.00 0.18 H new ATOM 0 HA ARG A 437 -13.648 7.615 -4.665 1.00 0.20 H new ATOM 0 HB2 ARG A 437 -10.695 7.205 -4.367 1.00 0.24 H new ATOM 0 HB3 ARG A 437 -11.707 7.017 -5.785 1.00 0.24 H new ATOM 0 HG2 ARG A 437 -11.968 9.661 -5.411 1.00 0.27 H new ATOM 0 HG3 ARG A 437 -10.385 9.427 -4.697 1.00 0.27 H new ATOM 0 HD2 ARG A 437 -9.828 9.791 -6.893 1.00 0.40 H new ATOM 0 HD3 ARG A 437 -9.890 8.040 -6.846 1.00 0.40 H new ATOM 0 HE ARG A 437 -12.269 8.265 -7.739 1.00 0.71 H new ATOM 0 HH11 ARG A 437 -9.832 10.780 -8.282 1.00 1.82 H new ATOM 0 HH12 ARG A 437 -10.595 11.349 -9.771 1.00 1.82 H new ATOM 0 HH21 ARG A 437 -13.233 9.014 -9.642 1.00 1.47 H new ATOM 0 HH22 ARG A 437 -12.509 10.355 -10.535 1.00 1.47 H new ATOM 1551 N GLY A 438 -12.394 6.976 -1.789 1.00 0.17 N ATOM 1552 CA GLY A 438 -12.705 6.167 -0.630 1.00 0.18 C ATOM 1553 C GLY A 438 -12.276 4.717 -0.721 1.00 0.21 C ATOM 1554 O GLY A 438 -13.091 3.828 -0.462 1.00 0.24 O ATOM 0 H GLY A 438 -11.882 7.833 -1.579 1.00 0.17 H new ATOM 0 HA2 GLY A 438 -12.231 6.615 0.244 1.00 0.18 H new ATOM 0 HA3 GLY A 438 -13.781 6.201 -0.462 1.00 0.18 H new ATOM 1558 N SER A 439 -11.035 4.439 -1.080 1.00 0.22 N ATOM 1559 CA SER A 439 -10.669 3.059 -1.314 1.00 0.27 C ATOM 1560 C SER A 439 -10.353 2.352 -0.002 1.00 0.27 C ATOM 1561 O SER A 439 -9.320 2.601 0.617 1.00 0.27 O ATOM 1562 CB SER A 439 -9.456 2.973 -2.235 1.00 0.31 C ATOM 1563 OG SER A 439 -9.648 3.730 -3.421 1.00 1.01 O ATOM 0 H SER A 439 -10.290 5.124 -1.211 1.00 0.22 H new ATOM 0 HA SER A 439 -11.518 2.568 -1.789 1.00 0.27 H new ATOM 0 HB2 SER A 439 -8.573 3.336 -1.710 1.00 0.31 H new ATOM 0 HB3 SER A 439 -9.267 1.931 -2.494 1.00 0.31 H new ATOM 0 HG SER A 439 -8.853 3.656 -3.989 1.00 1.01 H new ATOM 1569 N HIS A 440 -11.258 1.438 0.367 1.00 0.29 N ATOM 1570 CA HIS A 440 -11.146 0.600 1.567 1.00 0.32 C ATOM 1571 C HIS A 440 -10.436 1.296 2.731 1.00 0.28 C ATOM 1572 O HIS A 440 -10.951 2.258 3.301 1.00 0.34 O ATOM 1573 CB HIS A 440 -10.436 -0.711 1.244 1.00 0.36 C ATOM 1574 CG HIS A 440 -11.241 -1.687 0.450 1.00 0.40 C ATOM 1575 ND1 HIS A 440 -12.491 -2.110 0.831 1.00 0.45 N ATOM 1576 CD2 HIS A 440 -10.953 -2.350 -0.696 1.00 0.42 C ATOM 1577 CE1 HIS A 440 -12.940 -2.987 -0.037 1.00 0.50 C ATOM 1578 NE2 HIS A 440 -12.031 -3.151 -0.980 1.00 0.48 N ATOM 0 H HIS A 440 -12.106 1.256 -0.171 1.00 0.29 H new ATOM 0 HA HIS A 440 -12.168 0.401 1.889 1.00 0.32 H new ATOM 0 HB2 HIS A 440 -9.522 -0.486 0.695 1.00 0.36 H new ATOM 0 HB3 HIS A 440 -10.138 -1.185 2.179 1.00 0.36 H new ATOM 0 HD2 HIS A 440 -10.046 -2.264 -1.277 1.00 0.42 H new ATOM 0 HE1 HIS A 440 -13.894 -3.490 0.012 1.00 0.50 H new ATOM 0 HE2 HIS A 440 -12.116 -3.770 -1.786 1.00 0.48 H new ATOM 1587 N GLY A 441 -9.245 0.802 3.065 1.00 0.23 N ATOM 1588 CA GLY A 441 -8.524 1.299 4.219 1.00 0.22 C ATOM 1589 C GLY A 441 -7.025 1.429 3.996 1.00 0.17 C ATOM 1590 O GLY A 441 -6.336 2.066 4.794 1.00 0.26 O ATOM 0 H GLY A 441 -8.767 0.062 2.551 1.00 0.23 H new ATOM 0 HA2 GLY A 441 -8.927 2.273 4.496 1.00 0.22 H new ATOM 0 HA3 GLY A 441 -8.700 0.630 5.062 1.00 0.22 H new ATOM 1594 N CYS A 442 -6.500 0.818 2.933 1.00 0.10 N ATOM 1595 CA CYS A 442 -5.071 0.835 2.695 1.00 0.15 C ATOM 1596 C CYS A 442 -4.679 1.793 1.583 1.00 0.13 C ATOM 1597 O CYS A 442 -5.433 2.682 1.209 1.00 0.21 O ATOM 1598 CB CYS A 442 -4.553 -0.556 2.355 1.00 0.24 C ATOM 1599 SG CYS A 442 -5.268 -1.250 0.852 1.00 0.35 S ATOM 0 H CYS A 442 -7.043 0.312 2.234 1.00 0.10 H new ATOM 0 HA CYS A 442 -4.616 1.181 3.623 1.00 0.15 H new ATOM 0 HB2 CYS A 442 -3.469 -0.513 2.245 1.00 0.24 H new ATOM 0 HB3 CYS A 442 -4.763 -1.226 3.189 1.00 0.24 H new ATOM 0 HG CYS A 442 -4.936 -2.503 0.752 1.00 0.35 H new ATOM 1604 N ILE A 443 -3.442 1.645 1.131 1.00 0.09 N ATOM 1605 CA ILE A 443 -2.864 2.526 0.134 1.00 0.07 C ATOM 1606 C ILE A 443 -2.988 1.915 -1.250 1.00 0.08 C ATOM 1607 O ILE A 443 -2.622 0.760 -1.464 1.00 0.12 O ATOM 1608 CB ILE A 443 -1.374 2.808 0.435 1.00 0.07 C ATOM 1609 CG1 ILE A 443 -1.192 3.738 1.646 1.00 0.09 C ATOM 1610 CG2 ILE A 443 -0.682 3.410 -0.783 1.00 0.07 C ATOM 1611 CD1 ILE A 443 -1.575 3.138 2.984 1.00 0.11 C ATOM 0 H ILE A 443 -2.812 0.908 1.448 1.00 0.09 H new ATOM 0 HA ILE A 443 -3.414 3.467 0.168 1.00 0.07 H new ATOM 0 HB ILE A 443 -0.915 1.849 0.677 1.00 0.07 H new ATOM 0 HG12 ILE A 443 -0.148 4.050 1.691 1.00 0.09 H new ATOM 0 HG13 ILE A 443 -1.787 4.637 1.486 1.00 0.09 H new ATOM 0 HG21 ILE A 443 0.365 3.601 -0.549 1.00 0.07 H new ATOM 0 HG22 ILE A 443 -0.746 2.714 -1.619 1.00 0.07 H new ATOM 0 HG23 ILE A 443 -1.170 4.347 -1.053 1.00 0.07 H new ATOM 0 HD11 ILE A 443 -1.410 3.872 3.773 1.00 0.11 H new ATOM 0 HD12 ILE A 443 -2.627 2.853 2.967 1.00 0.11 H new ATOM 0 HD13 ILE A 443 -0.964 2.256 3.176 1.00 0.11 H new ATOM 1623 N ASN A 444 -3.501 2.699 -2.181 1.00 0.08 N ATOM 1624 CA ASN A 444 -3.697 2.236 -3.546 1.00 0.08 C ATOM 1625 C ASN A 444 -2.590 2.768 -4.443 1.00 0.07 C ATOM 1626 O ASN A 444 -2.660 3.887 -4.949 1.00 0.11 O ATOM 1627 CB ASN A 444 -5.069 2.656 -4.072 1.00 0.11 C ATOM 1628 CG ASN A 444 -6.215 1.818 -3.522 1.00 0.27 C ATOM 1629 OD1 ASN A 444 -6.052 1.280 -2.322 1.00 0.62 O flip ATOM 1630 ND2 ASN A 444 -7.244 1.645 -4.181 1.00 0.15 N flip ATOM 0 H ASN A 444 -3.791 3.663 -2.017 1.00 0.08 H new ATOM 0 HA ASN A 444 -3.656 1.147 -3.551 1.00 0.08 H new ATOM 0 HB2 ASN A 444 -5.241 3.702 -3.819 1.00 0.11 H new ATOM 0 HB3 ASN A 444 -5.069 2.587 -5.160 1.00 0.11 H new ATOM 0 HD21 ASN A 444 -7.338 2.073 -5.102 1.00 0.15 H new ATOM 0 HD22 ASN A 444 -8.001 1.074 -3.805 1.00 0.15 H new ATOM 1637 N THR A 445 -1.561 1.966 -4.587 1.00 0.08 N ATOM 1638 CA THR A 445 -0.386 2.298 -5.348 1.00 0.08 C ATOM 1639 C THR A 445 -0.503 1.903 -6.812 1.00 0.08 C ATOM 1640 O THR A 445 -1.099 0.905 -7.147 1.00 0.10 O ATOM 1641 CB THR A 445 0.787 1.575 -4.702 1.00 0.06 C ATOM 1642 OG1 THR A 445 0.675 1.634 -3.272 1.00 0.09 O ATOM 1643 CG2 THR A 445 2.071 2.196 -5.110 1.00 0.06 C ATOM 0 H THR A 445 -1.520 1.039 -4.165 1.00 0.08 H new ATOM 0 HA THR A 445 -0.248 3.379 -5.338 1.00 0.08 H new ATOM 0 HB THR A 445 0.768 0.536 -5.032 1.00 0.06 H new ATOM 0 HG1 THR A 445 1.545 1.865 -2.885 1.00 0.09 H new ATOM 0 HG21 THR A 445 2.898 1.665 -4.638 1.00 0.06 H new ATOM 0 HG22 THR A 445 2.175 2.139 -6.194 1.00 0.06 H new ATOM 0 HG23 THR A 445 2.085 3.240 -4.799 1.00 0.06 H new ATOM 1651 N PRO A 446 0.047 2.737 -7.700 1.00 0.08 N ATOM 1652 CA PRO A 446 0.128 2.470 -9.140 1.00 0.10 C ATOM 1653 C PRO A 446 0.695 1.112 -9.464 1.00 0.14 C ATOM 1654 O PRO A 446 1.577 0.598 -8.771 1.00 0.24 O ATOM 1655 CB PRO A 446 1.055 3.571 -9.641 1.00 0.10 C ATOM 1656 CG PRO A 446 0.863 4.684 -8.687 1.00 0.08 C ATOM 1657 CD PRO A 446 0.607 4.049 -7.359 1.00 0.07 C ATOM 0 HA PRO A 446 -0.858 2.467 -9.605 1.00 0.10 H new ATOM 0 HB2 PRO A 446 2.093 3.238 -9.658 1.00 0.10 H new ATOM 0 HB3 PRO A 446 0.800 3.872 -10.657 1.00 0.10 H new ATOM 0 HG2 PRO A 446 1.745 5.323 -8.650 1.00 0.08 H new ATOM 0 HG3 PRO A 446 0.025 5.314 -8.986 1.00 0.08 H new ATOM 0 HD2 PRO A 446 1.524 3.954 -6.778 1.00 0.07 H new ATOM 0 HD3 PRO A 446 -0.089 4.638 -6.762 1.00 0.07 H new ATOM 1665 N PRO A 447 0.202 0.523 -10.549 1.00 0.12 N ATOM 1666 CA PRO A 447 0.564 -0.821 -10.947 1.00 0.12 C ATOM 1667 C PRO A 447 2.022 -0.911 -11.377 1.00 0.14 C ATOM 1668 O PRO A 447 2.663 -1.958 -11.281 1.00 0.31 O ATOM 1669 CB PRO A 447 -0.351 -1.098 -12.129 1.00 0.15 C ATOM 1670 CG PRO A 447 -1.431 -0.104 -12.010 1.00 0.14 C ATOM 1671 CD PRO A 447 -0.756 1.110 -11.495 1.00 0.13 C ATOM 0 HA PRO A 447 0.454 -1.535 -10.131 1.00 0.12 H new ATOM 0 HB2 PRO A 447 0.181 -0.993 -13.074 1.00 0.15 H new ATOM 0 HB3 PRO A 447 -0.743 -2.114 -12.096 1.00 0.15 H new ATOM 0 HG2 PRO A 447 -1.907 0.084 -12.973 1.00 0.14 H new ATOM 0 HG3 PRO A 447 -2.212 -0.444 -11.329 1.00 0.14 H new ATOM 0 HD2 PRO A 447 -0.261 1.673 -12.286 1.00 0.13 H new ATOM 0 HD3 PRO A 447 -1.452 1.792 -11.006 1.00 0.13 H new ATOM 1679 N SER A 448 2.544 0.219 -11.813 1.00 0.12 N ATOM 1680 CA SER A 448 3.885 0.306 -12.347 1.00 0.11 C ATOM 1681 C SER A 448 4.937 0.282 -11.252 1.00 0.09 C ATOM 1682 O SER A 448 6.084 -0.074 -11.473 1.00 0.09 O ATOM 1683 CB SER A 448 4.003 1.601 -13.118 1.00 0.14 C ATOM 1684 OG SER A 448 3.617 2.704 -12.310 1.00 1.10 O ATOM 0 H SER A 448 2.044 1.108 -11.806 1.00 0.12 H new ATOM 0 HA SER A 448 4.058 -0.558 -12.989 1.00 0.11 H new ATOM 0 HB2 SER A 448 5.030 1.735 -13.458 1.00 0.14 H new ATOM 0 HB3 SER A 448 3.375 1.559 -14.008 1.00 0.14 H new ATOM 0 HG SER A 448 3.702 3.533 -12.826 1.00 1.10 H new ATOM 1690 N VAL A 449 4.547 0.715 -10.079 1.00 0.07 N ATOM 1691 CA VAL A 449 5.498 0.939 -9.012 1.00 0.06 C ATOM 1692 C VAL A 449 5.547 -0.193 -8.030 1.00 0.05 C ATOM 1693 O VAL A 449 6.605 -0.706 -7.727 1.00 0.05 O ATOM 1694 CB VAL A 449 5.179 2.249 -8.318 1.00 0.06 C ATOM 1695 CG1 VAL A 449 5.275 3.356 -9.324 1.00 0.08 C ATOM 1696 CG2 VAL A 449 3.811 2.190 -7.710 1.00 0.06 C ATOM 0 H VAL A 449 3.578 0.920 -9.836 1.00 0.07 H new ATOM 0 HA VAL A 449 6.491 0.994 -9.458 1.00 0.06 H new ATOM 0 HB VAL A 449 5.890 2.432 -7.513 1.00 0.06 H new ATOM 0 HG11 VAL A 449 5.048 4.307 -8.842 1.00 0.08 H new ATOM 0 HG12 VAL A 449 6.284 3.389 -9.734 1.00 0.08 H new ATOM 0 HG13 VAL A 449 4.562 3.179 -10.129 1.00 0.08 H new ATOM 0 HG21 VAL A 449 3.592 3.136 -7.214 1.00 0.06 H new ATOM 0 HG22 VAL A 449 3.073 2.011 -8.492 1.00 0.06 H new ATOM 0 HG23 VAL A 449 3.771 1.381 -6.981 1.00 0.06 H new ATOM 1706 N MET A 450 4.418 -0.620 -7.549 1.00 0.05 N ATOM 1707 CA MET A 450 4.412 -1.681 -6.572 1.00 0.05 C ATOM 1708 C MET A 450 4.902 -2.978 -7.195 1.00 0.05 C ATOM 1709 O MET A 450 5.059 -3.986 -6.508 1.00 0.06 O ATOM 1710 CB MET A 450 3.044 -1.824 -5.917 1.00 0.07 C ATOM 1711 CG MET A 450 2.981 -1.314 -4.480 1.00 0.06 C ATOM 1712 SD MET A 450 3.277 -2.600 -3.245 1.00 0.06 S ATOM 1713 CE MET A 450 2.968 -4.072 -4.190 1.00 0.05 C ATOM 0 H MET A 450 3.499 -0.261 -7.808 1.00 0.05 H new ATOM 0 HA MET A 450 5.107 -1.424 -5.773 1.00 0.05 H new ATOM 0 HB2 MET A 450 2.309 -1.284 -6.515 1.00 0.07 H new ATOM 0 HB3 MET A 450 2.755 -2.875 -5.930 1.00 0.07 H new ATOM 0 HG2 MET A 450 3.718 -0.521 -4.352 1.00 0.06 H new ATOM 0 HG3 MET A 450 2.001 -0.870 -4.303 1.00 0.06 H new ATOM 0 HE1 MET A 450 2.867 -4.923 -3.516 1.00 0.05 H new ATOM 0 HE2 MET A 450 2.048 -3.951 -4.762 1.00 0.05 H new ATOM 0 HE3 MET A 450 3.799 -4.247 -4.873 1.00 0.05 H new ATOM 1723 N LYS A 451 5.195 -2.943 -8.477 1.00 0.05 N ATOM 1724 CA LYS A 451 5.796 -4.083 -9.117 1.00 0.05 C ATOM 1725 C LYS A 451 7.287 -4.061 -8.830 1.00 0.05 C ATOM 1726 O LYS A 451 7.922 -5.079 -8.540 1.00 0.06 O ATOM 1727 CB LYS A 451 5.556 -4.033 -10.607 1.00 0.06 C ATOM 1728 CG LYS A 451 6.312 -2.946 -11.226 1.00 0.06 C ATOM 1729 CD LYS A 451 6.093 -2.885 -12.689 1.00 0.08 C ATOM 1730 CE LYS A 451 7.180 -2.066 -13.297 1.00 0.10 C ATOM 1731 NZ LYS A 451 6.858 -1.597 -14.674 1.00 0.92 N1+ ATOM 0 H LYS A 451 5.027 -2.144 -9.088 1.00 0.05 H new ATOM 0 HA LYS A 451 5.353 -5.001 -8.731 1.00 0.05 H new ATOM 0 HB2 LYS A 451 5.845 -4.983 -11.057 1.00 0.06 H new ATOM 0 HB3 LYS A 451 4.492 -3.898 -10.803 1.00 0.06 H new ATOM 0 HG2 LYS A 451 6.020 -1.998 -10.775 1.00 0.06 H new ATOM 0 HG3 LYS A 451 7.374 -3.081 -11.023 1.00 0.06 H new ATOM 0 HD2 LYS A 451 6.092 -3.889 -13.114 1.00 0.08 H new ATOM 0 HD3 LYS A 451 5.120 -2.445 -12.908 1.00 0.08 H new ATOM 0 HE2 LYS A 451 7.374 -1.202 -12.662 1.00 0.10 H new ATOM 0 HE3 LYS A 451 8.097 -2.654 -13.325 1.00 0.10 H new ATOM 0 HZ1 LYS A 451 7.651 -1.034 -15.043 1.00 0.92 H new ATOM 0 HZ2 LYS A 451 6.699 -2.418 -15.292 1.00 0.92 H new ATOM 0 HZ3 LYS A 451 5.999 -1.011 -14.649 1.00 0.92 H new ATOM 1745 N GLU A 452 7.794 -2.827 -8.860 1.00 0.05 N ATOM 1746 CA GLU A 452 9.166 -2.508 -8.675 1.00 0.05 C ATOM 1747 C GLU A 452 9.517 -2.927 -7.307 1.00 0.05 C ATOM 1748 O GLU A 452 10.551 -3.510 -7.025 1.00 0.06 O ATOM 1749 CB GLU A 452 9.271 -1.014 -8.737 1.00 0.05 C ATOM 1750 CG GLU A 452 8.824 -0.437 -10.035 1.00 0.07 C ATOM 1751 CD GLU A 452 9.946 -0.203 -11.022 1.00 0.12 C ATOM 1752 OE1 GLU A 452 10.652 0.816 -10.894 1.00 0.25 O1- ATOM 1753 OE2 GLU A 452 10.123 -1.038 -11.935 1.00 0.24 O ATOM 0 H GLU A 452 7.214 -2.004 -9.023 1.00 0.05 H new ATOM 0 HA GLU A 452 9.809 -2.985 -9.415 1.00 0.05 H new ATOM 0 HB2 GLU A 452 8.675 -0.583 -7.933 1.00 0.05 H new ATOM 0 HB3 GLU A 452 10.306 -0.723 -8.557 1.00 0.05 H new ATOM 0 HG2 GLU A 452 8.091 -1.106 -10.485 1.00 0.07 H new ATOM 0 HG3 GLU A 452 8.317 0.509 -9.845 1.00 0.07 H new ATOM 1760 N LEU A 453 8.605 -2.515 -6.468 1.00 0.04 N ATOM 1761 CA LEU A 453 8.532 -2.848 -5.107 1.00 0.04 C ATOM 1762 C LEU A 453 8.712 -4.297 -4.862 1.00 0.05 C ATOM 1763 O LEU A 453 9.690 -4.691 -4.261 1.00 0.05 O ATOM 1764 CB LEU A 453 7.164 -2.455 -4.633 1.00 0.04 C ATOM 1765 CG LEU A 453 7.157 -1.864 -3.286 1.00 0.04 C ATOM 1766 CD1 LEU A 453 8.335 -0.998 -3.143 1.00 0.03 C ATOM 1767 CD2 LEU A 453 5.948 -1.056 -3.053 1.00 0.05 C ATOM 0 H LEU A 453 7.849 -1.895 -6.758 1.00 0.04 H new ATOM 0 HA LEU A 453 9.331 -2.329 -4.578 1.00 0.04 H new ATOM 0 HB2 LEU A 453 6.736 -1.741 -5.337 1.00 0.04 H new ATOM 0 HB3 LEU A 453 6.520 -3.334 -4.639 1.00 0.04 H new ATOM 0 HG LEU A 453 7.173 -2.676 -2.558 1.00 0.04 H new ATOM 0 HD11 LEU A 453 8.341 -0.554 -2.148 1.00 0.03 H new ATOM 0 HD12 LEU A 453 9.240 -1.589 -3.282 1.00 0.03 H new ATOM 0 HD13 LEU A 453 8.299 -0.208 -3.893 1.00 0.03 H new ATOM 0 HD21 LEU A 453 5.979 -0.636 -2.048 1.00 0.05 H new ATOM 0 HD22 LEU A 453 5.905 -0.247 -3.783 1.00 0.05 H new ATOM 0 HD23 LEU A 453 5.064 -1.686 -3.156 1.00 0.05 H new ATOM 1779 N PHE A 454 7.762 -5.075 -5.309 1.00 0.05 N ATOM 1780 CA PHE A 454 7.860 -6.532 -5.187 1.00 0.06 C ATOM 1781 C PHE A 454 9.264 -6.982 -5.592 1.00 0.07 C ATOM 1782 O PHE A 454 9.786 -7.991 -5.116 1.00 0.09 O ATOM 1783 CB PHE A 454 6.789 -7.238 -6.043 1.00 0.07 C ATOM 1784 CG PHE A 454 6.933 -8.747 -6.105 1.00 0.08 C ATOM 1785 CD1 PHE A 454 7.864 -9.371 -6.940 1.00 0.11 C ATOM 1786 CD2 PHE A 454 6.118 -9.552 -5.322 1.00 0.09 C ATOM 1787 CE1 PHE A 454 7.957 -10.750 -6.978 1.00 0.13 C ATOM 1788 CE2 PHE A 454 6.216 -10.926 -5.365 1.00 0.12 C ATOM 1789 CZ PHE A 454 7.260 -11.510 -6.245 1.00 0.12 C ATOM 0 H PHE A 454 6.911 -4.741 -5.761 1.00 0.05 H new ATOM 0 HA PHE A 454 7.680 -6.810 -4.149 1.00 0.06 H new ATOM 0 HB2 PHE A 454 5.804 -6.995 -5.644 1.00 0.07 H new ATOM 0 HB3 PHE A 454 6.830 -6.839 -7.057 1.00 0.07 H new ATOM 0 HD1 PHE A 454 8.515 -8.772 -7.560 1.00 0.11 H new ATOM 0 HD2 PHE A 454 5.393 -9.093 -4.666 1.00 0.09 H new ATOM 0 HE1 PHE A 454 8.658 -11.200 -7.666 1.00 0.13 H new ATOM 0 HE2 PHE A 454 5.559 -11.554 -4.781 1.00 0.12 H new ATOM 0 HZ PHE A 454 7.423 -12.577 -6.259 1.00 0.12 H new ATOM 1799 N GLY A 455 9.894 -6.151 -6.420 1.00 0.06 N ATOM 1800 CA GLY A 455 11.187 -6.472 -6.961 1.00 0.08 C ATOM 1801 C GLY A 455 12.302 -6.021 -6.044 1.00 0.08 C ATOM 1802 O GLY A 455 13.366 -6.633 -6.018 1.00 0.13 O ATOM 0 H GLY A 455 9.519 -5.252 -6.723 1.00 0.06 H new ATOM 0 HA2 GLY A 455 11.259 -7.548 -7.120 1.00 0.08 H new ATOM 0 HA3 GLY A 455 11.302 -5.998 -7.936 1.00 0.08 H new ATOM 1806 N MET A 456 12.070 -4.943 -5.290 1.00 0.06 N ATOM 1807 CA MET A 456 13.066 -4.468 -4.355 1.00 0.05 C ATOM 1808 C MET A 456 12.819 -4.920 -2.950 1.00 0.05 C ATOM 1809 O MET A 456 13.748 -5.315 -2.251 1.00 0.06 O ATOM 1810 CB MET A 456 13.188 -2.971 -4.367 1.00 0.05 C ATOM 1811 CG MET A 456 11.903 -2.264 -4.508 1.00 0.04 C ATOM 1812 SD MET A 456 11.943 -1.076 -5.838 1.00 0.05 S ATOM 1813 CE MET A 456 10.493 -0.204 -5.366 1.00 0.04 C ATOM 0 H MET A 456 11.210 -4.396 -5.315 1.00 0.06 H new ATOM 0 HA MET A 456 14.001 -4.911 -4.699 1.00 0.05 H new ATOM 0 HB2 MET A 456 13.668 -2.649 -3.443 1.00 0.05 H new ATOM 0 HB3 MET A 456 13.844 -2.677 -5.186 1.00 0.05 H new ATOM 0 HG2 MET A 456 11.108 -2.987 -4.691 1.00 0.04 H new ATOM 0 HG3 MET A 456 11.663 -1.756 -3.574 1.00 0.04 H new ATOM 0 HE1 MET A 456 9.684 -0.441 -6.057 1.00 0.04 H new ATOM 0 HE2 MET A 456 10.205 -0.497 -4.356 1.00 0.04 H new ATOM 0 HE3 MET A 456 10.689 0.868 -5.391 1.00 0.04 H new ATOM 1823 N VAL A 457 11.594 -4.840 -2.515 1.00 0.05 N ATOM 1824 CA VAL A 457 11.284 -5.268 -1.183 1.00 0.05 C ATOM 1825 C VAL A 457 11.300 -6.756 -1.079 1.00 0.07 C ATOM 1826 O VAL A 457 10.981 -7.491 -2.018 1.00 0.08 O ATOM 1827 CB VAL A 457 9.967 -4.698 -0.631 1.00 0.05 C ATOM 1828 CG1 VAL A 457 9.219 -3.896 -1.669 1.00 0.04 C ATOM 1829 CG2 VAL A 457 9.097 -5.796 -0.046 1.00 0.05 C ATOM 0 H VAL A 457 10.804 -4.487 -3.055 1.00 0.05 H new ATOM 0 HA VAL A 457 12.074 -4.856 -0.555 1.00 0.05 H new ATOM 0 HB VAL A 457 10.225 -4.012 0.175 1.00 0.05 H new ATOM 0 HG11 VAL A 457 8.295 -3.512 -1.236 1.00 0.04 H new ATOM 0 HG12 VAL A 457 9.838 -3.062 -2.000 1.00 0.04 H new ATOM 0 HG13 VAL A 457 8.983 -4.534 -2.521 1.00 0.04 H new ATOM 0 HG21 VAL A 457 8.173 -5.363 0.336 1.00 0.05 H new ATOM 0 HG22 VAL A 457 8.862 -6.526 -0.821 1.00 0.05 H new ATOM 0 HG23 VAL A 457 9.630 -6.289 0.767 1.00 0.05 H new ATOM 1839 N GLU A 458 11.699 -7.174 0.080 1.00 0.08 N ATOM 1840 CA GLU A 458 11.811 -8.550 0.382 1.00 0.10 C ATOM 1841 C GLU A 458 10.863 -8.870 1.499 1.00 0.09 C ATOM 1842 O GLU A 458 10.440 -7.984 2.236 1.00 0.10 O ATOM 1843 CB GLU A 458 13.232 -8.849 0.810 1.00 0.13 C ATOM 1844 CG GLU A 458 14.064 -7.604 0.942 1.00 0.20 C ATOM 1845 CD GLU A 458 15.330 -7.815 1.739 1.00 0.27 C ATOM 1846 OE1 GLU A 458 15.258 -7.818 2.986 1.00 0.46 O ATOM 1847 OE2 GLU A 458 16.409 -7.966 1.125 1.00 0.48 O1- ATOM 0 H GLU A 458 11.958 -6.554 0.848 1.00 0.08 H new ATOM 0 HA GLU A 458 11.567 -9.154 -0.492 1.00 0.10 H new ATOM 0 HB2 GLU A 458 13.218 -9.376 1.764 1.00 0.13 H new ATOM 0 HB3 GLU A 458 13.695 -9.517 0.083 1.00 0.13 H new ATOM 0 HG2 GLU A 458 14.325 -7.242 -0.053 1.00 0.20 H new ATOM 0 HG3 GLU A 458 13.468 -6.826 1.418 1.00 0.20 H new ATOM 1854 N LYS A 459 10.486 -10.125 1.584 1.00 0.11 N ATOM 1855 CA LYS A 459 9.765 -10.610 2.726 1.00 0.13 C ATOM 1856 C LYS A 459 10.548 -10.321 3.973 1.00 0.15 C ATOM 1857 O LYS A 459 11.526 -11.001 4.290 1.00 0.18 O ATOM 1858 CB LYS A 459 9.499 -12.080 2.603 1.00 0.16 C ATOM 1859 CG LYS A 459 8.817 -12.387 1.323 1.00 0.22 C ATOM 1860 CD LYS A 459 8.245 -13.760 1.374 1.00 0.70 C ATOM 1861 CE LYS A 459 9.279 -14.803 1.005 1.00 0.40 C ATOM 1862 NZ LYS A 459 8.726 -16.181 1.033 1.00 0.99 N1+ ATOM 0 H LYS A 459 10.671 -10.828 0.868 1.00 0.11 H new ATOM 0 HA LYS A 459 8.804 -10.099 2.779 1.00 0.13 H new ATOM 0 HB2 LYS A 459 10.438 -12.630 2.661 1.00 0.16 H new ATOM 0 HB3 LYS A 459 8.882 -12.414 3.438 1.00 0.16 H new ATOM 0 HG2 LYS A 459 8.026 -11.660 1.138 1.00 0.22 H new ATOM 0 HG3 LYS A 459 9.523 -12.307 0.496 1.00 0.22 H new ATOM 0 HD2 LYS A 459 7.865 -13.961 2.376 1.00 0.70 H new ATOM 0 HD3 LYS A 459 7.397 -13.828 0.692 1.00 0.70 H new ATOM 0 HE2 LYS A 459 9.667 -14.590 0.009 1.00 0.40 H new ATOM 0 HE3 LYS A 459 10.120 -14.738 1.695 1.00 0.40 H new ATOM 0 HZ1 LYS A 459 9.471 -16.859 0.774 1.00 0.99 H new ATOM 0 HZ2 LYS A 459 8.379 -16.397 1.989 1.00 0.99 H new ATOM 0 HZ3 LYS A 459 7.940 -16.254 0.355 1.00 0.99 H new ATOM 1876 N GLY A 460 10.097 -9.302 4.654 1.00 0.15 N ATOM 1877 CA GLY A 460 10.764 -8.847 5.847 1.00 0.19 C ATOM 1878 C GLY A 460 11.016 -7.357 5.815 1.00 0.15 C ATOM 1879 O GLY A 460 11.362 -6.755 6.826 1.00 0.17 O ATOM 0 H GLY A 460 9.266 -8.768 4.402 1.00 0.15 H new ATOM 0 HA2 GLY A 460 10.159 -9.095 6.719 1.00 0.19 H new ATOM 0 HA3 GLY A 460 11.712 -9.374 5.957 1.00 0.19 H new ATOM 1883 N THR A 461 10.852 -6.771 4.639 1.00 0.12 N ATOM 1884 CA THR A 461 10.912 -5.340 4.474 1.00 0.07 C ATOM 1885 C THR A 461 9.757 -4.705 5.234 1.00 0.08 C ATOM 1886 O THR A 461 8.720 -5.329 5.433 1.00 0.13 O ATOM 1887 CB THR A 461 10.844 -4.993 2.963 1.00 0.06 C ATOM 1888 OG1 THR A 461 12.065 -5.357 2.305 1.00 0.08 O ATOM 1889 CG2 THR A 461 10.552 -3.525 2.731 1.00 0.05 C ATOM 0 H THR A 461 10.673 -7.282 3.774 1.00 0.12 H new ATOM 0 HA THR A 461 11.848 -4.950 4.873 1.00 0.07 H new ATOM 0 HB THR A 461 10.021 -5.569 2.539 1.00 0.06 H new ATOM 0 HG1 THR A 461 12.739 -5.597 2.975 1.00 0.08 H new ATOM 0 HG21 THR A 461 10.513 -3.327 1.660 1.00 0.05 H new ATOM 0 HG22 THR A 461 9.593 -3.269 3.182 1.00 0.05 H new ATOM 0 HG23 THR A 461 11.339 -2.922 3.184 1.00 0.05 H new ATOM 1897 N PRO A 462 9.916 -3.485 5.729 1.00 0.09 N ATOM 1898 CA PRO A 462 8.866 -2.790 6.393 1.00 0.14 C ATOM 1899 C PRO A 462 8.128 -1.915 5.413 1.00 0.13 C ATOM 1900 O PRO A 462 8.637 -1.596 4.338 1.00 0.18 O ATOM 1901 CB PRO A 462 9.621 -1.948 7.428 1.00 0.18 C ATOM 1902 CG PRO A 462 11.072 -2.127 7.102 1.00 0.13 C ATOM 1903 CD PRO A 462 11.107 -2.654 5.720 1.00 0.09 C ATOM 0 HA PRO A 462 8.115 -3.441 6.841 1.00 0.14 H new ATOM 0 HB2 PRO A 462 9.331 -0.899 7.368 1.00 0.18 H new ATOM 0 HB3 PRO A 462 9.402 -2.282 8.442 1.00 0.18 H new ATOM 0 HG2 PRO A 462 11.610 -1.182 7.175 1.00 0.13 H new ATOM 0 HG3 PRO A 462 11.548 -2.819 7.797 1.00 0.13 H new ATOM 0 HD2 PRO A 462 11.056 -1.863 4.972 1.00 0.09 H new ATOM 0 HD3 PRO A 462 12.012 -3.227 5.517 1.00 0.09 H new ATOM 1911 N VAL A 463 6.939 -1.537 5.758 1.00 0.09 N ATOM 1912 CA VAL A 463 6.237 -0.561 4.972 1.00 0.09 C ATOM 1913 C VAL A 463 5.852 0.554 5.888 1.00 0.08 C ATOM 1914 O VAL A 463 5.687 0.363 7.082 1.00 0.10 O ATOM 1915 CB VAL A 463 4.968 -1.087 4.286 1.00 0.19 C ATOM 1916 CG1 VAL A 463 5.203 -2.449 3.669 1.00 0.57 C ATOM 1917 CG2 VAL A 463 3.831 -1.108 5.275 1.00 0.54 C ATOM 0 H VAL A 463 6.432 -1.884 6.573 1.00 0.09 H new ATOM 0 HA VAL A 463 6.907 -0.251 4.170 1.00 0.09 H new ATOM 0 HB VAL A 463 4.701 -0.416 3.469 1.00 0.19 H new ATOM 0 HG11 VAL A 463 4.287 -2.795 3.191 1.00 0.57 H new ATOM 0 HG12 VAL A 463 5.996 -2.379 2.925 1.00 0.57 H new ATOM 0 HG13 VAL A 463 5.495 -3.155 4.446 1.00 0.57 H new ATOM 0 HG21 VAL A 463 2.931 -1.482 4.787 1.00 0.54 H new ATOM 0 HG22 VAL A 463 4.088 -1.759 6.111 1.00 0.54 H new ATOM 0 HG23 VAL A 463 3.651 -0.098 5.644 1.00 0.54 H new ATOM 1927 N LEU A 464 5.776 1.714 5.364 1.00 0.07 N ATOM 1928 CA LEU A 464 5.334 2.820 6.125 1.00 0.07 C ATOM 1929 C LEU A 464 4.358 3.580 5.317 1.00 0.07 C ATOM 1930 O LEU A 464 4.382 3.514 4.106 1.00 0.09 O ATOM 1931 CB LEU A 464 6.507 3.691 6.496 1.00 0.10 C ATOM 1932 CG LEU A 464 7.485 3.055 7.439 1.00 0.10 C ATOM 1933 CD1 LEU A 464 8.520 2.303 6.671 1.00 0.09 C ATOM 1934 CD2 LEU A 464 8.111 4.121 8.298 1.00 0.13 C ATOM 0 H LEU A 464 6.017 1.927 4.396 1.00 0.07 H new ATOM 0 HA LEU A 464 4.861 2.480 7.046 1.00 0.07 H new ATOM 0 HB2 LEU A 464 7.034 3.976 5.585 1.00 0.10 H new ATOM 0 HB3 LEU A 464 6.132 4.609 6.948 1.00 0.10 H new ATOM 0 HG LEU A 464 6.968 2.346 8.086 1.00 0.10 H new ATOM 0 HD11 LEU A 464 9.226 1.845 7.364 1.00 0.09 H new ATOM 0 HD12 LEU A 464 8.039 1.526 6.076 1.00 0.09 H new ATOM 0 HD13 LEU A 464 9.052 2.988 6.011 1.00 0.09 H new ATOM 0 HD21 LEU A 464 8.823 3.663 8.985 1.00 0.13 H new ATOM 0 HD22 LEU A 464 8.630 4.841 7.665 1.00 0.13 H new ATOM 0 HD23 LEU A 464 7.335 4.632 8.867 1.00 0.13 H new ATOM 1946 N VAL A 465 3.448 4.201 5.991 1.00 0.06 N ATOM 1947 CA VAL A 465 2.612 5.206 5.399 1.00 0.05 C ATOM 1948 C VAL A 465 2.523 6.309 6.415 1.00 0.08 C ATOM 1949 O VAL A 465 2.553 6.004 7.588 1.00 0.10 O ATOM 1950 CB VAL A 465 1.219 4.649 5.002 1.00 0.07 C ATOM 1951 CG1 VAL A 465 1.296 3.160 4.752 1.00 0.09 C ATOM 1952 CG2 VAL A 465 0.176 4.977 6.018 1.00 0.08 C ATOM 0 H VAL A 465 3.258 4.028 6.978 1.00 0.06 H new ATOM 0 HA VAL A 465 3.033 5.571 4.462 1.00 0.05 H new ATOM 0 HB VAL A 465 0.919 5.137 4.075 1.00 0.07 H new ATOM 0 HG11 VAL A 465 0.310 2.786 4.475 1.00 0.09 H new ATOM 0 HG12 VAL A 465 2.000 2.963 3.943 1.00 0.09 H new ATOM 0 HG13 VAL A 465 1.634 2.656 5.658 1.00 0.09 H new ATOM 0 HG21 VAL A 465 -0.783 4.568 5.700 1.00 0.08 H new ATOM 0 HG22 VAL A 465 0.455 4.544 6.979 1.00 0.08 H new ATOM 0 HG23 VAL A 465 0.094 6.059 6.119 1.00 0.08 H new ATOM 1962 N PHE A 466 2.546 7.561 5.978 1.00 0.10 N ATOM 1963 CA PHE A 466 2.531 8.716 6.873 1.00 0.15 C ATOM 1964 C PHE A 466 2.673 10.016 6.094 1.00 0.21 C ATOM 1965 O PHE A 466 1.626 10.602 5.749 1.00 1.09 O ATOM 1966 CB PHE A 466 3.609 8.608 7.972 1.00 0.17 C ATOM 1967 CG PHE A 466 5.027 8.362 7.498 1.00 0.20 C ATOM 1968 CD1 PHE A 466 5.402 7.145 6.948 1.00 0.14 C ATOM 1969 CD2 PHE A 466 5.977 9.360 7.595 1.00 0.36 C ATOM 1970 CE1 PHE A 466 6.698 6.934 6.507 1.00 0.20 C ATOM 1971 CE2 PHE A 466 7.273 9.154 7.158 1.00 0.41 C ATOM 1972 CZ PHE A 466 7.631 7.879 6.640 1.00 0.30 C ATOM 1973 OXT PHE A 466 3.811 10.446 5.832 1.00 1.06 O ATOM 0 H PHE A 466 2.576 7.808 4.989 1.00 0.10 H new ATOM 0 HA PHE A 466 1.562 8.724 7.371 1.00 0.15 H new ATOM 0 HB2 PHE A 466 3.598 9.529 8.554 1.00 0.17 H new ATOM 0 HB3 PHE A 466 3.329 7.800 8.648 1.00 0.17 H new ATOM 0 HD1 PHE A 466 4.674 6.352 6.863 1.00 0.14 H new ATOM 0 HD2 PHE A 466 5.704 10.315 8.018 1.00 0.36 H new ATOM 0 HE1 PHE A 466 6.957 5.991 6.049 1.00 0.20 H new ATOM 0 HE2 PHE A 466 8.002 9.949 7.209 1.00 0.41 H new ATOM 0 HZ PHE A 466 8.653 7.676 6.356 1.00 0.30 H new