USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 346 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 Single : A 383 LYS NZ :NH3+ 164:sc= -0.0898 (180deg=-0.438) USER MOD Single : A 384 SER OG : rot 180:sc=-0.00156 USER MOD Single : A 390 ASN : amide:sc= -1.98! K(o=-2!,f=-3) USER MOD Single : A 391 LYS NZ :NH3+ -175:sc= 0.171 (180deg=0.143) USER MOD Single : A 393 THR OG1 : rot 180:sc= 0 USER MOD Single : A 397 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 399 SER OG : rot 180:sc= 0 USER MOD Single : A 402 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 405 SER OG : rot 180:sc= 0 USER MOD Single : A 407 HIS :FLIP no HD1:sc= -0.958 F(o=-1.6,f=-0.96) USER MOD Single : A 408 LYS NZ :NH3+ 138:sc= 1.15 (180deg=-1.1) USER MOD Single : A 411 LYS NZ :NH3+ 168:sc=-0.00847 (180deg=-0.154) USER MOD Single : A 415 LYS NZ :NH3+ -134:sc= -1.4! (180deg=-4.42!) USER MOD Single : A 416 ASN : amide:sc= -0.0637 K(o=-0.064,f=-1.2) USER MOD Single : A 418 GLN : amide:sc= -0.0686 X(o=-0.069,f=-0.028) USER MOD Single : A 420 ASN :FLIP amide:sc= -4.15! C(o=-6.4!,f=-4.1!) USER MOD Single : A 421 SER OG : rot 180:sc= 0 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 423 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0343) USER MOD Single : A 425 SER OG : rot -58:sc= 0.14 USER MOD Single : A 426 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 427 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 382 -6.461 17.536 -0.407 1.00 0.00 N ATOM 2 CA GLY A 382 -7.591 16.899 -1.122 1.00 0.00 C ATOM 3 C GLY A 382 -7.556 15.392 -1.001 1.00 0.00 C ATOM 4 O GLY A 382 -7.077 14.855 -0.001 1.00 0.00 O ATOM 0 HA2 GLY A 382 -8.532 17.274 -0.720 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -7.559 17.180 -2.175 1.00 0.00 H new ATOM 10 N LYS A 383 -8.029 14.705 -2.028 1.00 0.00 N ATOM 11 CA LYS A 383 -8.028 13.250 -2.038 1.00 0.00 C ATOM 12 C LYS A 383 -6.616 12.719 -2.235 1.00 0.00 C ATOM 13 O LYS A 383 -5.898 13.155 -3.139 1.00 0.00 O ATOM 14 CB LYS A 383 -8.946 12.723 -3.140 1.00 0.00 C ATOM 15 CG LYS A 383 -10.402 13.124 -2.961 1.00 0.00 C ATOM 16 CD LYS A 383 -10.977 12.581 -1.660 1.00 0.00 C ATOM 17 CE LYS A 383 -12.448 12.927 -1.514 1.00 0.00 C ATOM 18 NZ LYS A 383 -13.251 12.401 -2.647 1.00 0.00 N ATOM 0 H LYS A 383 -8.420 15.132 -2.868 1.00 0.00 H new ATOM 0 HA LYS A 383 -8.401 12.901 -1.075 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.592 13.091 -4.103 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -8.878 11.636 -3.169 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.484 14.211 -2.970 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -10.988 12.753 -3.802 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -10.852 11.499 -1.630 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -10.421 12.990 -0.817 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -12.827 12.517 -0.578 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -12.563 14.009 -1.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -14.259 12.412 -2.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -13.099 12.996 -3.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -12.958 11.426 -2.857 1.00 0.00 H new ATOM 32 N SER A 384 -6.222 11.790 -1.380 1.00 0.00 N ATOM 33 CA SER A 384 -4.890 11.205 -1.429 1.00 0.00 C ATOM 34 C SER A 384 -4.909 9.770 -0.892 1.00 0.00 C ATOM 35 O SER A 384 -4.281 9.473 0.126 1.00 0.00 O ATOM 36 CB SER A 384 -3.912 12.055 -0.607 1.00 0.00 C ATOM 37 OG SER A 384 -3.821 13.380 -1.112 1.00 0.00 O ATOM 0 H SER A 384 -6.813 11.421 -0.635 1.00 0.00 H new ATOM 0 HA SER A 384 -4.562 11.183 -2.468 1.00 0.00 H new ATOM 0 HB2 SER A 384 -4.238 12.083 0.433 1.00 0.00 H new ATOM 0 HB3 SER A 384 -2.926 11.591 -0.620 1.00 0.00 H new ATOM 0 HG SER A 384 -3.192 13.896 -0.566 1.00 0.00 H new ATOM 43 N PRO A 385 -5.644 8.856 -1.558 1.00 0.00 N ATOM 44 CA PRO A 385 -5.755 7.461 -1.114 1.00 0.00 C ATOM 45 C PRO A 385 -4.407 6.747 -1.093 1.00 0.00 C ATOM 46 O PRO A 385 -4.141 5.926 -0.215 1.00 0.00 O ATOM 47 CB PRO A 385 -6.688 6.813 -2.142 1.00 0.00 C ATOM 48 CG PRO A 385 -6.674 7.728 -3.319 1.00 0.00 C ATOM 49 CD PRO A 385 -6.438 9.106 -2.772 1.00 0.00 C ATOM 0 HA PRO A 385 -6.128 7.398 -0.092 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -6.341 5.816 -2.415 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -7.696 6.701 -1.743 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -5.889 7.448 -4.021 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -7.618 7.680 -3.861 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -5.900 9.734 -3.482 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -7.375 9.614 -2.543 1.00 0.00 H new ATOM 57 N GLU A 386 -3.548 7.086 -2.048 1.00 0.00 N ATOM 58 CA GLU A 386 -2.218 6.502 -2.115 1.00 0.00 C ATOM 59 C GLU A 386 -1.392 6.924 -0.910 1.00 0.00 C ATOM 60 O GLU A 386 -0.795 6.084 -0.236 1.00 0.00 O ATOM 61 CB GLU A 386 -1.516 6.899 -3.414 1.00 0.00 C ATOM 62 CG GLU A 386 -0.084 6.397 -3.503 1.00 0.00 C ATOM 63 CD GLU A 386 0.540 6.639 -4.860 1.00 0.00 C ATOM 64 OE1 GLU A 386 0.541 7.795 -5.327 1.00 0.00 O ATOM 65 OE2 GLU A 386 1.040 5.669 -5.465 1.00 0.00 O ATOM 0 H GLU A 386 -3.751 7.762 -2.785 1.00 0.00 H new ATOM 0 HA GLU A 386 -2.319 5.417 -2.102 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -2.083 6.509 -4.259 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -1.519 7.985 -3.503 1.00 0.00 H new ATOM 0 HG2 GLU A 386 0.517 6.890 -2.739 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -0.064 5.329 -3.284 1.00 0.00 H new ATOM 72 N ALA A 387 -1.419 8.221 -0.612 1.00 0.00 N ATOM 73 CA ALA A 387 -0.702 8.778 0.530 1.00 0.00 C ATOM 74 C ALA A 387 -1.073 8.061 1.824 1.00 0.00 C ATOM 75 O ALA A 387 -0.234 7.892 2.711 1.00 0.00 O ATOM 76 CB ALA A 387 -0.978 10.271 0.650 1.00 0.00 C ATOM 0 H ALA A 387 -1.937 8.913 -1.154 1.00 0.00 H new ATOM 0 HA ALA A 387 0.365 8.629 0.362 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -0.437 10.673 1.506 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -0.648 10.776 -0.258 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -2.047 10.433 0.788 1.00 0.00 H new ATOM 82 N GLU A 388 -2.325 7.631 1.915 1.00 0.00 N ATOM 83 CA GLU A 388 -2.809 6.916 3.087 1.00 0.00 C ATOM 84 C GLU A 388 -2.043 5.609 3.293 1.00 0.00 C ATOM 85 O GLU A 388 -1.448 5.404 4.349 1.00 0.00 O ATOM 86 CB GLU A 388 -4.306 6.643 2.954 1.00 0.00 C ATOM 87 CG GLU A 388 -5.155 7.903 3.019 1.00 0.00 C ATOM 88 CD GLU A 388 -6.627 7.627 2.801 1.00 0.00 C ATOM 89 OE1 GLU A 388 -7.154 6.673 3.413 1.00 0.00 O ATOM 90 OE2 GLU A 388 -7.278 8.382 2.048 1.00 0.00 O ATOM 0 H GLU A 388 -3.026 7.766 1.187 1.00 0.00 H new ATOM 0 HA GLU A 388 -2.640 7.543 3.962 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -4.493 6.136 2.008 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -4.616 5.963 3.747 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.019 8.378 3.990 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -4.807 8.610 2.266 1.00 0.00 H new ATOM 97 N CYS A 389 -2.003 4.762 2.263 1.00 0.00 N ATOM 98 CA CYS A 389 -1.256 3.506 2.326 1.00 0.00 C ATOM 99 C CYS A 389 0.249 3.770 2.425 1.00 0.00 C ATOM 100 O CYS A 389 0.993 2.967 2.984 1.00 0.00 O ATOM 101 CB CYS A 389 -1.541 2.661 1.086 1.00 0.00 C ATOM 102 SG CYS A 389 -3.309 2.430 0.706 1.00 0.00 S ATOM 0 H CYS A 389 -2.479 4.924 1.376 1.00 0.00 H new ATOM 0 HA CYS A 389 -1.578 2.967 3.217 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -1.057 3.127 0.227 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -1.081 1.681 1.218 1.00 0.00 H new ATOM 107 N ASN A 390 0.693 4.883 1.840 1.00 0.00 N ATOM 108 CA ASN A 390 2.113 5.250 1.831 1.00 0.00 C ATOM 109 C ASN A 390 2.674 5.355 3.246 1.00 0.00 C ATOM 110 O ASN A 390 3.860 5.109 3.469 1.00 0.00 O ATOM 111 CB ASN A 390 2.324 6.586 1.111 1.00 0.00 C ATOM 112 CG ASN A 390 2.165 6.506 -0.399 1.00 0.00 C ATOM 113 OD1 ASN A 390 2.123 7.527 -1.077 1.00 0.00 O ATOM 114 ND2 ASN A 390 2.095 5.302 -0.946 1.00 0.00 N ATOM 0 H ASN A 390 0.087 5.551 1.363 1.00 0.00 H new ATOM 0 HA ASN A 390 2.643 4.459 1.300 1.00 0.00 H new ATOM 0 HB2 ASN A 390 1.614 7.314 1.503 1.00 0.00 H new ATOM 0 HB3 ASN A 390 3.322 6.958 1.342 1.00 0.00 H new ATOM 0 HD21 ASN A 390 2.004 5.206 -1.957 1.00 0.00 H new ATOM 0 HD22 ASN A 390 2.133 4.471 -0.356 1.00 0.00 H new ATOM 121 N LYS A 391 1.834 5.786 4.179 1.00 0.00 N ATOM 122 CA LYS A 391 2.246 5.980 5.568 1.00 0.00 C ATOM 123 C LYS A 391 2.725 4.673 6.198 1.00 0.00 C ATOM 124 O LYS A 391 3.627 4.667 7.033 1.00 0.00 O ATOM 125 CB LYS A 391 1.084 6.544 6.386 1.00 0.00 C ATOM 126 CG LYS A 391 0.590 7.897 5.901 1.00 0.00 C ATOM 127 CD LYS A 391 1.666 8.963 6.031 1.00 0.00 C ATOM 128 CE LYS A 391 1.201 10.300 5.475 1.00 0.00 C ATOM 129 NZ LYS A 391 0.888 10.220 4.025 1.00 0.00 N ATOM 0 H LYS A 391 0.855 6.010 3.999 1.00 0.00 H new ATOM 0 HA LYS A 391 3.076 6.686 5.571 1.00 0.00 H new ATOM 0 HB2 LYS A 391 0.256 5.835 6.360 1.00 0.00 H new ATOM 0 HB3 LYS A 391 1.395 6.633 7.427 1.00 0.00 H new ATOM 0 HG2 LYS A 391 0.277 7.819 4.860 1.00 0.00 H new ATOM 0 HG3 LYS A 391 -0.288 8.192 6.476 1.00 0.00 H new ATOM 0 HD2 LYS A 391 1.938 9.080 7.080 1.00 0.00 H new ATOM 0 HD3 LYS A 391 2.563 8.641 5.503 1.00 0.00 H new ATOM 0 HE2 LYS A 391 0.317 10.631 6.019 1.00 0.00 H new ATOM 0 HE3 LYS A 391 1.975 11.050 5.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 0.657 11.169 3.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 1.712 9.848 3.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 0.075 9.588 3.880 1.00 0.00 H new ATOM 143 N ILE A 392 2.068 3.582 5.838 1.00 0.00 N ATOM 144 CA ILE A 392 2.369 2.273 6.402 1.00 0.00 C ATOM 145 C ILE A 392 3.724 1.772 5.891 1.00 0.00 C ATOM 146 O ILE A 392 3.951 1.709 4.681 1.00 0.00 O ATOM 147 CB ILE A 392 1.283 1.218 6.050 1.00 0.00 C ATOM 148 CG1 ILE A 392 -0.133 1.636 6.498 1.00 0.00 C ATOM 149 CG2 ILE A 392 1.637 -0.110 6.699 1.00 0.00 C ATOM 150 CD1 ILE A 392 -0.704 2.856 5.816 1.00 0.00 C ATOM 0 H ILE A 392 1.315 3.577 5.150 1.00 0.00 H new ATOM 0 HA ILE A 392 2.393 2.395 7.485 1.00 0.00 H new ATOM 0 HB ILE A 392 1.267 1.131 4.964 1.00 0.00 H new ATOM 0 HG12 ILE A 392 -0.809 0.798 6.329 1.00 0.00 H new ATOM 0 HG13 ILE A 392 -0.115 1.819 7.572 1.00 0.00 H new ATOM 0 HG21 ILE A 392 0.876 -0.850 6.452 1.00 0.00 H new ATOM 0 HG22 ILE A 392 2.605 -0.449 6.330 1.00 0.00 H new ATOM 0 HG23 ILE A 392 1.685 0.015 7.781 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -1.701 3.058 6.207 1.00 0.00 H new ATOM 0 HD12 ILE A 392 -0.059 3.714 6.005 1.00 0.00 H new ATOM 0 HD13 ILE A 392 -0.765 2.678 4.742 1.00 0.00 H new ATOM 162 N THR A 393 4.626 1.437 6.807 1.00 0.00 N ATOM 163 CA THR A 393 5.964 0.993 6.432 1.00 0.00 C ATOM 164 C THR A 393 6.148 -0.513 6.630 1.00 0.00 C ATOM 165 O THR A 393 7.253 -1.035 6.476 1.00 0.00 O ATOM 166 CB THR A 393 7.041 1.752 7.236 1.00 0.00 C ATOM 167 OG1 THR A 393 6.742 1.701 8.641 1.00 0.00 O ATOM 168 CG2 THR A 393 7.125 3.205 6.795 1.00 0.00 C ATOM 0 H THR A 393 4.456 1.464 7.812 1.00 0.00 H new ATOM 0 HA THR A 393 6.080 1.213 5.371 1.00 0.00 H new ATOM 0 HB THR A 393 8.000 1.269 7.048 1.00 0.00 H new ATOM 0 HG1 THR A 393 7.433 2.184 9.140 1.00 0.00 H new ATOM 0 HG21 THR A 393 7.891 3.718 7.377 1.00 0.00 H new ATOM 0 HG22 THR A 393 7.382 3.250 5.737 1.00 0.00 H new ATOM 0 HG23 THR A 393 6.162 3.690 6.955 1.00 0.00 H new ATOM 176 N GLU A 394 5.062 -1.218 6.928 1.00 0.00 N ATOM 177 CA GLU A 394 5.126 -2.662 7.124 1.00 0.00 C ATOM 178 C GLU A 394 4.177 -3.383 6.178 1.00 0.00 C ATOM 179 O GLU A 394 3.010 -3.009 6.051 1.00 0.00 O ATOM 180 CB GLU A 394 4.775 -3.020 8.569 1.00 0.00 C ATOM 181 CG GLU A 394 5.696 -2.391 9.599 1.00 0.00 C ATOM 182 CD GLU A 394 7.104 -2.953 9.574 1.00 0.00 C ATOM 183 OE1 GLU A 394 7.365 -3.913 8.819 1.00 0.00 O ATOM 184 OE2 GLU A 394 7.955 -2.447 10.338 1.00 0.00 O ATOM 0 H GLU A 394 4.131 -0.816 7.039 1.00 0.00 H new ATOM 0 HA GLU A 394 6.145 -2.983 6.910 1.00 0.00 H new ATOM 0 HB2 GLU A 394 3.751 -2.707 8.772 1.00 0.00 H new ATOM 0 HB3 GLU A 394 4.805 -4.104 8.682 1.00 0.00 H new ATOM 0 HG2 GLU A 394 5.739 -1.315 9.427 1.00 0.00 H new ATOM 0 HG3 GLU A 394 5.272 -2.538 10.592 1.00 0.00 H new ATOM 191 N GLU A 395 4.669 -4.438 5.548 1.00 0.00 N ATOM 192 CA GLU A 395 3.852 -5.228 4.637 1.00 0.00 C ATOM 193 C GLU A 395 2.711 -5.943 5.364 1.00 0.00 C ATOM 194 O GLU A 395 1.569 -5.827 4.942 1.00 0.00 O ATOM 195 CB GLU A 395 4.696 -6.246 3.863 1.00 0.00 C ATOM 196 CG GLU A 395 3.848 -7.191 3.022 1.00 0.00 C ATOM 197 CD GLU A 395 4.664 -8.145 2.182 1.00 0.00 C ATOM 198 OE1 GLU A 395 5.538 -8.840 2.738 1.00 0.00 O ATOM 199 OE2 GLU A 395 4.416 -8.220 0.964 1.00 0.00 O ATOM 0 H GLU A 395 5.629 -4.768 5.650 1.00 0.00 H new ATOM 0 HA GLU A 395 3.415 -4.525 3.927 1.00 0.00 H new ATOM 0 HB2 GLU A 395 5.394 -5.716 3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 395 5.293 -6.827 4.566 1.00 0.00 H new ATOM 0 HG2 GLU A 395 3.196 -7.765 3.680 1.00 0.00 H new ATOM 0 HG3 GLU A 395 3.203 -6.604 2.368 1.00 0.00 H new ATOM 206 N PRO A 396 2.977 -6.709 6.452 1.00 0.00 N ATOM 207 CA PRO A 396 1.922 -7.447 7.160 1.00 0.00 C ATOM 208 C PRO A 396 0.738 -6.555 7.522 1.00 0.00 C ATOM 209 O PRO A 396 -0.420 -6.930 7.325 1.00 0.00 O ATOM 210 CB PRO A 396 2.623 -7.951 8.420 1.00 0.00 C ATOM 211 CG PRO A 396 4.053 -8.071 8.028 1.00 0.00 C ATOM 212 CD PRO A 396 4.308 -6.955 7.053 1.00 0.00 C ATOM 0 HA PRO A 396 1.499 -8.244 6.549 1.00 0.00 H new ATOM 0 HB2 PRO A 396 2.496 -7.256 9.250 1.00 0.00 H new ATOM 0 HB3 PRO A 396 2.218 -8.910 8.743 1.00 0.00 H new ATOM 0 HG2 PRO A 396 4.705 -7.987 8.898 1.00 0.00 H new ATOM 0 HG3 PRO A 396 4.253 -9.041 7.573 1.00 0.00 H new ATOM 0 HD2 PRO A 396 4.693 -6.066 7.552 1.00 0.00 H new ATOM 0 HD3 PRO A 396 5.042 -7.240 6.299 1.00 0.00 H new ATOM 220 N LYS A 397 1.045 -5.346 7.978 1.00 0.00 N ATOM 221 CA LYS A 397 0.022 -4.373 8.333 1.00 0.00 C ATOM 222 C LYS A 397 -0.703 -3.849 7.099 1.00 0.00 C ATOM 223 O LYS A 397 -1.927 -3.729 7.097 1.00 0.00 O ATOM 224 CB LYS A 397 0.647 -3.197 9.085 1.00 0.00 C ATOM 225 CG LYS A 397 1.330 -3.591 10.380 1.00 0.00 C ATOM 226 CD LYS A 397 1.939 -2.384 11.073 1.00 0.00 C ATOM 227 CE LYS A 397 2.593 -2.768 12.389 1.00 0.00 C ATOM 228 NZ LYS A 397 3.159 -1.587 13.088 1.00 0.00 N ATOM 0 H LYS A 397 2.001 -5.016 8.111 1.00 0.00 H new ATOM 0 HA LYS A 397 -0.702 -4.879 8.972 1.00 0.00 H new ATOM 0 HB2 LYS A 397 1.374 -2.708 8.436 1.00 0.00 H new ATOM 0 HB3 LYS A 397 -0.129 -2.464 9.303 1.00 0.00 H new ATOM 0 HG2 LYS A 397 0.609 -4.068 11.043 1.00 0.00 H new ATOM 0 HG3 LYS A 397 2.108 -4.326 10.174 1.00 0.00 H new ATOM 0 HD2 LYS A 397 2.679 -1.923 10.419 1.00 0.00 H new ATOM 0 HD3 LYS A 397 1.165 -1.638 11.254 1.00 0.00 H new ATOM 0 HE2 LYS A 397 1.859 -3.254 13.032 1.00 0.00 H new ATOM 0 HE3 LYS A 397 3.384 -3.494 12.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 3.597 -1.889 13.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 3.878 -1.138 12.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 2.400 -0.905 13.288 1.00 0.00 H new ATOM 242 N CYS A 398 0.058 -3.441 6.091 1.00 0.00 N ATOM 243 CA CYS A 398 -0.519 -2.799 4.923 1.00 0.00 C ATOM 244 C CYS A 398 -1.212 -3.808 4.011 1.00 0.00 C ATOM 245 O CYS A 398 -2.197 -3.487 3.354 1.00 0.00 O ATOM 246 CB CYS A 398 0.556 -2.033 4.168 1.00 0.00 C ATOM 247 SG CYS A 398 -0.060 -0.499 3.406 1.00 0.00 S ATOM 0 H CYS A 398 1.072 -3.544 6.061 1.00 0.00 H new ATOM 0 HA CYS A 398 -1.281 -2.097 5.262 1.00 0.00 H new ATOM 0 HB2 CYS A 398 1.369 -1.790 4.852 1.00 0.00 H new ATOM 0 HB3 CYS A 398 0.973 -2.675 3.392 1.00 0.00 H new ATOM 252 N SER A 399 -0.731 -5.040 4.022 1.00 0.00 N ATOM 253 CA SER A 399 -1.365 -6.115 3.276 1.00 0.00 C ATOM 254 C SER A 399 -2.709 -6.443 3.924 1.00 0.00 C ATOM 255 O SER A 399 -3.694 -6.741 3.244 1.00 0.00 O ATOM 256 CB SER A 399 -0.459 -7.349 3.262 1.00 0.00 C ATOM 257 OG SER A 399 -0.807 -8.240 2.219 1.00 0.00 O ATOM 0 H SER A 399 0.100 -5.322 4.542 1.00 0.00 H new ATOM 0 HA SER A 399 -1.530 -5.802 2.245 1.00 0.00 H new ATOM 0 HB2 SER A 399 0.579 -7.038 3.144 1.00 0.00 H new ATOM 0 HB3 SER A 399 -0.530 -7.864 4.220 1.00 0.00 H new ATOM 0 HG SER A 399 -0.208 -9.015 2.238 1.00 0.00 H new ATOM 263 N GLU A 400 -2.752 -6.279 5.243 1.00 0.00 N ATOM 264 CA GLU A 400 -3.974 -6.439 6.014 1.00 0.00 C ATOM 265 C GLU A 400 -4.965 -5.334 5.647 1.00 0.00 C ATOM 266 O GLU A 400 -6.172 -5.570 5.548 1.00 0.00 O ATOM 267 CB GLU A 400 -3.643 -6.391 7.507 1.00 0.00 C ATOM 268 CG GLU A 400 -4.758 -6.883 8.408 1.00 0.00 C ATOM 269 CD GLU A 400 -5.086 -8.340 8.175 1.00 0.00 C ATOM 270 OE1 GLU A 400 -4.170 -9.183 8.279 1.00 0.00 O ATOM 271 OE2 GLU A 400 -6.264 -8.650 7.891 1.00 0.00 O ATOM 0 H GLU A 400 -1.938 -6.031 5.805 1.00 0.00 H new ATOM 0 HA GLU A 400 -4.430 -7.402 5.785 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -2.752 -6.992 7.689 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -3.397 -5.365 7.780 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -4.470 -6.740 9.449 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -5.651 -6.281 8.239 1.00 0.00 H new ATOM 278 N GLU A 401 -4.425 -4.146 5.374 1.00 0.00 N ATOM 279 CA GLU A 401 -5.222 -3.014 4.916 1.00 0.00 C ATOM 280 C GLU A 401 -5.928 -3.356 3.611 1.00 0.00 C ATOM 281 O GLU A 401 -5.318 -3.895 2.685 1.00 0.00 O ATOM 282 CB GLU A 401 -4.339 -1.780 4.697 1.00 0.00 C ATOM 283 CG GLU A 401 -3.668 -1.249 5.951 1.00 0.00 C ATOM 284 CD GLU A 401 -4.658 -0.677 6.937 1.00 0.00 C ATOM 285 OE1 GLU A 401 -5.422 0.236 6.555 1.00 0.00 O ATOM 286 OE2 GLU A 401 -4.679 -1.132 8.100 1.00 0.00 O ATOM 0 H GLU A 401 -3.429 -3.945 5.464 1.00 0.00 H new ATOM 0 HA GLU A 401 -5.962 -2.794 5.686 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -3.569 -2.026 3.966 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -4.948 -0.987 4.264 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -3.108 -2.053 6.428 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -2.948 -0.479 5.676 1.00 0.00 H new ATOM 293 N LYS A 402 -7.194 -2.994 3.524 1.00 0.00 N ATOM 294 CA LYS A 402 -7.964 -3.199 2.316 1.00 0.00 C ATOM 295 C LYS A 402 -7.514 -2.210 1.244 1.00 0.00 C ATOM 296 O LYS A 402 -7.202 -1.061 1.560 1.00 0.00 O ATOM 297 CB LYS A 402 -9.454 -3.029 2.627 1.00 0.00 C ATOM 298 CG LYS A 402 -10.364 -3.240 1.435 1.00 0.00 C ATOM 299 CD LYS A 402 -11.817 -2.991 1.803 1.00 0.00 C ATOM 300 CE LYS A 402 -12.744 -3.238 0.626 1.00 0.00 C ATOM 301 NZ LYS A 402 -14.162 -2.941 0.961 1.00 0.00 N ATOM 0 H LYS A 402 -7.713 -2.553 4.283 1.00 0.00 H new ATOM 0 HA LYS A 402 -7.800 -4.209 1.940 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -9.733 -3.732 3.412 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -9.619 -2.027 3.023 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -10.071 -2.570 0.627 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -10.250 -4.258 1.062 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -12.099 -3.641 2.631 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -11.934 -1.964 2.149 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -12.433 -2.619 -0.216 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -12.657 -4.277 0.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -14.760 -3.123 0.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -14.468 -3.549 1.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -14.251 -1.943 1.240 1.00 0.00 H new ATOM 315 N ILE A 403 -7.485 -2.672 -0.009 1.00 0.00 N ATOM 316 CA ILE A 403 -7.132 -1.856 -1.177 1.00 0.00 C ATOM 317 C ILE A 403 -5.645 -1.465 -1.231 1.00 0.00 C ATOM 318 O ILE A 403 -5.068 -1.398 -2.319 1.00 0.00 O ATOM 319 CB ILE A 403 -8.059 -0.618 -1.294 1.00 0.00 C ATOM 320 CG1 ILE A 403 -8.597 -0.474 -2.729 1.00 0.00 C ATOM 321 CG2 ILE A 403 -7.360 0.664 -0.852 1.00 0.00 C ATOM 322 CD1 ILE A 403 -7.541 -0.172 -3.765 1.00 0.00 C ATOM 0 H ILE A 403 -7.709 -3.638 -0.246 1.00 0.00 H new ATOM 0 HA ILE A 403 -7.296 -2.488 -2.050 1.00 0.00 H new ATOM 0 HB ILE A 403 -8.900 -0.779 -0.619 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -9.107 -1.396 -3.007 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -9.343 0.321 -2.746 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -8.046 1.505 -0.951 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -7.050 0.569 0.189 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -6.484 0.835 -1.478 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -8.008 -0.087 -4.746 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -7.045 0.766 -3.517 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -6.806 -0.977 -3.781 1.00 0.00 H new ATOM 334 N CYS A 404 -5.006 -1.262 -0.089 1.00 0.00 N ATOM 335 CA CYS A 404 -3.582 -0.954 -0.074 1.00 0.00 C ATOM 336 C CYS A 404 -2.779 -2.160 -0.547 1.00 0.00 C ATOM 337 O CYS A 404 -3.113 -3.300 -0.222 1.00 0.00 O ATOM 338 CB CYS A 404 -3.121 -0.548 1.330 1.00 0.00 C ATOM 339 SG CYS A 404 -3.904 0.966 1.981 1.00 0.00 S ATOM 0 H CYS A 404 -5.444 -1.304 0.831 1.00 0.00 H new ATOM 0 HA CYS A 404 -3.412 -0.116 -0.750 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -3.324 -1.370 2.016 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -2.041 -0.405 1.316 1.00 0.00 H new ATOM 344 N SER A 405 -1.775 -1.918 -1.374 1.00 0.00 N ATOM 345 CA SER A 405 -0.979 -2.999 -1.928 1.00 0.00 C ATOM 346 C SER A 405 0.505 -2.745 -1.699 1.00 0.00 C ATOM 347 O SER A 405 0.974 -1.606 -1.778 1.00 0.00 O ATOM 348 CB SER A 405 -1.279 -3.162 -3.420 1.00 0.00 C ATOM 349 OG SER A 405 -0.461 -4.158 -4.010 1.00 0.00 O ATOM 0 H SER A 405 -1.493 -0.985 -1.675 1.00 0.00 H new ATOM 0 HA SER A 405 -1.244 -3.925 -1.418 1.00 0.00 H new ATOM 0 HB2 SER A 405 -2.328 -3.425 -3.554 1.00 0.00 H new ATOM 0 HB3 SER A 405 -1.121 -2.212 -3.930 1.00 0.00 H new ATOM 0 HG SER A 405 -0.679 -4.238 -4.962 1.00 0.00 H new ATOM 355 N TRP A 406 1.225 -3.800 -1.342 1.00 0.00 N ATOM 356 CA TRP A 406 2.638 -3.684 -1.041 1.00 0.00 C ATOM 357 C TRP A 406 3.481 -3.839 -2.299 1.00 0.00 C ATOM 358 O TRP A 406 3.406 -4.849 -2.995 1.00 0.00 O ATOM 359 CB TRP A 406 3.055 -4.735 -0.011 1.00 0.00 C ATOM 360 CG TRP A 406 4.410 -4.482 0.570 1.00 0.00 C ATOM 361 CD1 TRP A 406 5.560 -5.165 0.301 1.00 0.00 C ATOM 362 CD2 TRP A 406 4.750 -3.491 1.541 1.00 0.00 C ATOM 363 NE1 TRP A 406 6.597 -4.641 1.025 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.126 -3.616 1.800 1.00 0.00 C ATOM 365 CE3 TRP A 406 4.028 -2.502 2.212 1.00 0.00 C ATOM 366 CZ2 TRP A 406 6.788 -2.793 2.705 1.00 0.00 C ATOM 367 CZ3 TRP A 406 4.687 -1.688 3.109 1.00 0.00 C ATOM 368 CH2 TRP A 406 6.054 -1.835 3.346 1.00 0.00 C ATOM 0 H TRP A 406 0.850 -4.745 -1.255 1.00 0.00 H new ATOM 0 HA TRP A 406 2.808 -2.690 -0.628 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.320 -4.758 0.793 1.00 0.00 H new ATOM 0 HB3 TRP A 406 3.045 -5.719 -0.480 1.00 0.00 H new ATOM 0 HD1 TRP A 406 5.640 -5.997 -0.383 1.00 0.00 H new ATOM 0 HE1 TRP A 406 7.564 -4.963 0.992 1.00 0.00 H new ATOM 0 HE3 TRP A 406 2.971 -2.377 2.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 7.845 -2.907 2.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 4.136 -0.924 3.637 1.00 0.00 H new ATOM 0 HH2 TRP A 406 6.542 -1.178 4.051 1.00 0.00 H new ATOM 379 N HIS A 407 4.340 -2.868 -2.525 1.00 0.00 N ATOM 380 CA HIS A 407 5.294 -2.899 -3.621 1.00 0.00 C ATOM 381 C HIS A 407 6.635 -3.367 -3.067 1.00 0.00 C ATOM 382 O HIS A 407 7.205 -2.718 -2.194 1.00 0.00 O ATOM 383 CB HIS A 407 5.411 -1.487 -4.212 1.00 0.00 C ATOM 384 CG HIS A 407 6.149 -1.366 -5.504 1.00 0.00 C ATOM 385 ND1 HIS A 407 5.848 -0.661 -6.617 1.00 0.00 N flip ATOM 386 CD2 HIS A 407 7.381 -1.930 -5.732 1.00 0.00 C flip ATOM 387 CE1 HIS A 407 6.893 -0.809 -7.487 1.00 0.00 C flip ATOM 388 NE2 HIS A 407 7.805 -1.571 -6.926 1.00 0.00 N flip ATOM 0 H HIS A 407 4.399 -2.027 -1.951 1.00 0.00 H new ATOM 0 HA HIS A 407 4.972 -3.581 -4.408 1.00 0.00 H new ATOM 0 HB2 HIS A 407 4.405 -1.092 -4.355 1.00 0.00 H new ATOM 0 HB3 HIS A 407 5.902 -0.849 -3.477 1.00 0.00 H new ATOM 0 HD2 HIS A 407 7.916 -2.566 -5.042 1.00 0.00 H new ATOM 0 HE1 HIS A 407 6.958 -0.372 -8.472 1.00 0.00 H new ATOM 0 HE2 HIS A 407 8.695 -1.840 -7.346 1.00 0.00 H new ATOM 397 N LYS A 408 7.083 -4.536 -3.489 1.00 0.00 N ATOM 398 CA LYS A 408 8.299 -5.122 -2.934 1.00 0.00 C ATOM 399 C LYS A 408 9.550 -4.548 -3.587 1.00 0.00 C ATOM 400 O LYS A 408 10.372 -3.918 -2.921 1.00 0.00 O ATOM 401 CB LYS A 408 8.278 -6.642 -3.094 1.00 0.00 C ATOM 402 CG LYS A 408 7.345 -7.347 -2.126 1.00 0.00 C ATOM 403 CD LYS A 408 7.384 -8.853 -2.316 1.00 0.00 C ATOM 404 CE LYS A 408 6.531 -9.570 -1.283 1.00 0.00 C ATOM 405 NZ LYS A 408 5.101 -9.171 -1.360 1.00 0.00 N ATOM 0 H LYS A 408 6.630 -5.098 -4.209 1.00 0.00 H new ATOM 0 HA LYS A 408 8.329 -4.871 -1.874 1.00 0.00 H new ATOM 0 HB2 LYS A 408 7.981 -6.887 -4.114 1.00 0.00 H new ATOM 0 HB3 LYS A 408 9.288 -7.027 -2.955 1.00 0.00 H new ATOM 0 HG2 LYS A 408 7.627 -7.101 -1.102 1.00 0.00 H new ATOM 0 HG3 LYS A 408 6.327 -6.987 -2.272 1.00 0.00 H new ATOM 0 HD2 LYS A 408 7.031 -9.103 -3.317 1.00 0.00 H new ATOM 0 HD3 LYS A 408 8.414 -9.203 -2.244 1.00 0.00 H new ATOM 0 HE2 LYS A 408 6.614 -10.647 -1.430 1.00 0.00 H new ATOM 0 HE3 LYS A 408 6.913 -9.354 -0.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 4.500 -10.013 -1.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 4.887 -8.496 -0.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 4.914 -8.724 -2.280 1.00 0.00 H new ATOM 419 N GLU A 409 9.702 -4.803 -4.880 1.00 0.00 N ATOM 420 CA GLU A 409 10.878 -4.376 -5.629 1.00 0.00 C ATOM 421 C GLU A 409 10.828 -2.881 -5.949 1.00 0.00 C ATOM 422 O GLU A 409 10.785 -2.474 -7.112 1.00 0.00 O ATOM 423 CB GLU A 409 11.004 -5.216 -6.906 1.00 0.00 C ATOM 424 CG GLU A 409 9.777 -5.187 -7.813 1.00 0.00 C ATOM 425 CD GLU A 409 9.873 -6.190 -8.940 1.00 0.00 C ATOM 426 OE1 GLU A 409 10.054 -7.393 -8.654 1.00 0.00 O ATOM 427 OE2 GLU A 409 9.761 -5.787 -10.116 1.00 0.00 O ATOM 0 H GLU A 409 9.016 -5.310 -5.439 1.00 0.00 H new ATOM 0 HA GLU A 409 11.762 -4.536 -5.012 1.00 0.00 H new ATOM 0 HB2 GLU A 409 11.866 -4.864 -7.473 1.00 0.00 H new ATOM 0 HB3 GLU A 409 11.207 -6.250 -6.626 1.00 0.00 H new ATOM 0 HG2 GLU A 409 8.885 -5.393 -7.221 1.00 0.00 H new ATOM 0 HG3 GLU A 409 9.659 -4.186 -8.229 1.00 0.00 H new ATOM 434 N VAL A 410 10.768 -2.066 -4.905 1.00 0.00 N ATOM 435 CA VAL A 410 10.652 -0.626 -5.070 1.00 0.00 C ATOM 436 C VAL A 410 11.888 -0.018 -5.721 1.00 0.00 C ATOM 437 O VAL A 410 13.008 -0.127 -5.208 1.00 0.00 O ATOM 438 CB VAL A 410 10.369 0.091 -3.736 1.00 0.00 C ATOM 439 CG1 VAL A 410 8.945 -0.167 -3.294 1.00 0.00 C ATOM 440 CG2 VAL A 410 11.346 -0.345 -2.656 1.00 0.00 C ATOM 0 H VAL A 410 10.798 -2.379 -3.935 1.00 0.00 H new ATOM 0 HA VAL A 410 9.801 -0.475 -5.734 1.00 0.00 H new ATOM 0 HB VAL A 410 10.502 1.161 -3.895 1.00 0.00 H new ATOM 0 HG11 VAL A 410 8.758 0.345 -2.350 1.00 0.00 H new ATOM 0 HG12 VAL A 410 8.256 0.206 -4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 410 8.794 -1.238 -3.161 1.00 0.00 H new ATOM 0 HG21 VAL A 410 11.120 0.179 -1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 410 11.257 -1.420 -2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 410 12.363 -0.107 -2.968 1.00 0.00 H new ATOM 450 N LYS A 411 11.650 0.696 -6.804 1.00 0.00 N ATOM 451 CA LYS A 411 12.680 1.449 -7.487 1.00 0.00 C ATOM 452 C LYS A 411 12.862 2.785 -6.777 1.00 0.00 C ATOM 453 O LYS A 411 11.942 3.256 -6.102 1.00 0.00 O ATOM 454 CB LYS A 411 12.266 1.656 -8.949 1.00 0.00 C ATOM 455 CG LYS A 411 13.278 2.416 -9.784 1.00 0.00 C ATOM 456 CD LYS A 411 12.776 2.621 -11.204 1.00 0.00 C ATOM 457 CE LYS A 411 13.772 3.406 -12.040 1.00 0.00 C ATOM 458 NZ LYS A 411 15.065 2.688 -12.186 1.00 0.00 N ATOM 0 H LYS A 411 10.729 0.769 -7.237 1.00 0.00 H new ATOM 0 HA LYS A 411 13.627 0.909 -7.470 1.00 0.00 H new ATOM 0 HB2 LYS A 411 12.094 0.682 -9.407 1.00 0.00 H new ATOM 0 HB3 LYS A 411 11.317 2.192 -8.973 1.00 0.00 H new ATOM 0 HG2 LYS A 411 13.480 3.383 -9.324 1.00 0.00 H new ATOM 0 HG3 LYS A 411 14.221 1.869 -9.804 1.00 0.00 H new ATOM 0 HD2 LYS A 411 12.593 1.653 -11.669 1.00 0.00 H new ATOM 0 HD3 LYS A 411 11.823 3.149 -11.181 1.00 0.00 H new ATOM 0 HE2 LYS A 411 13.348 3.594 -13.027 1.00 0.00 H new ATOM 0 HE3 LYS A 411 13.947 4.378 -11.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 15.638 3.151 -12.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 15.578 2.709 -11.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 14.885 1.701 -12.459 1.00 0.00 H new ATOM 472 N ALA A 412 14.058 3.354 -6.856 1.00 0.00 N ATOM 473 CA ALA A 412 14.337 4.618 -6.191 1.00 0.00 C ATOM 474 C ALA A 412 13.358 5.693 -6.653 1.00 0.00 C ATOM 475 O ALA A 412 13.170 5.902 -7.854 1.00 0.00 O ATOM 476 CB ALA A 412 15.767 5.051 -6.458 1.00 0.00 C ATOM 0 H ALA A 412 14.846 2.962 -7.371 1.00 0.00 H new ATOM 0 HA ALA A 412 14.212 4.479 -5.117 1.00 0.00 H new ATOM 0 HB1 ALA A 412 15.961 5.998 -5.954 1.00 0.00 H new ATOM 0 HB2 ALA A 412 16.453 4.293 -6.081 1.00 0.00 H new ATOM 0 HB3 ALA A 412 15.916 5.174 -7.531 1.00 0.00 H new ATOM 482 N GLY A 413 12.682 6.314 -5.699 1.00 0.00 N ATOM 483 CA GLY A 413 11.680 7.305 -6.027 1.00 0.00 C ATOM 484 C GLY A 413 10.268 6.825 -5.736 1.00 0.00 C ATOM 485 O GLY A 413 9.379 7.637 -5.471 1.00 0.00 O ATOM 0 H GLY A 413 12.810 6.149 -4.701 1.00 0.00 H new ATOM 0 HA2 GLY A 413 11.875 8.215 -5.460 1.00 0.00 H new ATOM 0 HA3 GLY A 413 11.762 7.564 -7.083 1.00 0.00 H new ATOM 489 N GLU A 414 10.049 5.514 -5.838 1.00 0.00 N ATOM 490 CA GLU A 414 8.720 4.933 -5.636 1.00 0.00 C ATOM 491 C GLU A 414 8.331 4.877 -4.155 1.00 0.00 C ATOM 492 O GLU A 414 8.759 5.703 -3.347 1.00 0.00 O ATOM 493 CB GLU A 414 8.656 3.521 -6.225 1.00 0.00 C ATOM 494 CG GLU A 414 8.866 3.467 -7.727 1.00 0.00 C ATOM 495 CD GLU A 414 8.598 2.091 -8.299 1.00 0.00 C ATOM 496 OE1 GLU A 414 9.266 1.123 -7.877 1.00 0.00 O ATOM 497 OE2 GLU A 414 7.725 1.970 -9.184 1.00 0.00 O ATOM 0 H GLU A 414 10.775 4.833 -6.060 1.00 0.00 H new ATOM 0 HA GLU A 414 8.012 5.583 -6.150 1.00 0.00 H new ATOM 0 HB2 GLU A 414 9.411 2.902 -5.741 1.00 0.00 H new ATOM 0 HB3 GLU A 414 7.686 3.084 -5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 414 8.210 4.192 -8.209 1.00 0.00 H new ATOM 0 HG3 GLU A 414 9.890 3.761 -7.959 1.00 0.00 H new ATOM 504 N LYS A 415 7.501 3.896 -3.815 1.00 0.00 N ATOM 505 CA LYS A 415 7.008 3.726 -2.458 1.00 0.00 C ATOM 506 C LYS A 415 6.546 2.289 -2.289 1.00 0.00 C ATOM 507 O LYS A 415 6.072 1.682 -3.250 1.00 0.00 O ATOM 508 CB LYS A 415 5.839 4.681 -2.200 1.00 0.00 C ATOM 509 CG LYS A 415 5.454 4.813 -0.736 1.00 0.00 C ATOM 510 CD LYS A 415 6.508 5.556 0.078 1.00 0.00 C ATOM 511 CE LYS A 415 6.528 7.055 -0.222 1.00 0.00 C ATOM 512 NZ LYS A 415 7.141 7.373 -1.542 1.00 0.00 N ATOM 0 H LYS A 415 7.153 3.199 -4.473 1.00 0.00 H new ATOM 0 HA LYS A 415 7.802 3.950 -1.746 1.00 0.00 H new ATOM 0 HB2 LYS A 415 6.098 5.667 -2.586 1.00 0.00 H new ATOM 0 HB3 LYS A 415 4.972 4.336 -2.763 1.00 0.00 H new ATOM 0 HG2 LYS A 415 4.502 5.339 -0.659 1.00 0.00 H new ATOM 0 HG3 LYS A 415 5.304 3.820 -0.312 1.00 0.00 H new ATOM 0 HD2 LYS A 415 6.317 5.404 1.140 1.00 0.00 H new ATOM 0 HD3 LYS A 415 7.490 5.133 -0.133 1.00 0.00 H new ATOM 0 HE2 LYS A 415 5.508 7.439 -0.199 1.00 0.00 H new ATOM 0 HE3 LYS A 415 7.081 7.570 0.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 7.808 8.163 -1.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 7.648 6.538 -1.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 6.395 7.640 -2.216 1.00 0.00 H new ATOM 526 N ASN A 416 6.776 1.709 -1.117 1.00 0.00 N ATOM 527 CA ASN A 416 6.428 0.313 -0.903 1.00 0.00 C ATOM 528 C ASN A 416 4.918 0.121 -0.890 1.00 0.00 C ATOM 529 O ASN A 416 4.348 -0.354 -1.859 1.00 0.00 O ATOM 530 CB ASN A 416 7.042 -0.242 0.386 1.00 0.00 C ATOM 531 CG ASN A 416 8.509 -0.601 0.234 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.368 0.269 0.080 1.00 0.00 O ATOM 533 ND2 ASN A 416 8.805 -1.893 0.258 1.00 0.00 N ATOM 0 H ASN A 416 7.195 2.176 -0.313 1.00 0.00 H new ATOM 0 HA ASN A 416 6.847 -0.248 -1.739 1.00 0.00 H new ATOM 0 HB2 ASN A 416 6.934 0.496 1.181 1.00 0.00 H new ATOM 0 HB3 ASN A 416 6.487 -1.127 0.695 1.00 0.00 H new ATOM 0 HD21 ASN A 416 9.772 -2.197 0.147 1.00 0.00 H new ATOM 0 HD22 ASN A 416 8.065 -2.583 0.388 1.00 0.00 H new ATOM 540 N CYS A 417 4.236 0.547 0.151 1.00 0.00 N ATOM 541 CA CYS A 417 2.794 0.397 0.141 1.00 0.00 C ATOM 542 C CYS A 417 2.141 1.580 -0.544 1.00 0.00 C ATOM 543 O CYS A 417 2.470 2.731 -0.261 1.00 0.00 O ATOM 544 CB CYS A 417 2.213 0.209 1.534 1.00 0.00 C ATOM 545 SG CYS A 417 0.582 -0.598 1.495 1.00 0.00 S ATOM 0 H CYS A 417 4.633 0.983 0.983 1.00 0.00 H new ATOM 0 HA CYS A 417 2.577 -0.511 -0.421 1.00 0.00 H new ATOM 0 HB2 CYS A 417 2.898 -0.390 2.134 1.00 0.00 H new ATOM 0 HB3 CYS A 417 2.125 1.179 2.023 1.00 0.00 H new ATOM 550 N GLN A 418 1.245 1.293 -1.470 1.00 0.00 N ATOM 551 CA GLN A 418 0.581 2.329 -2.235 1.00 0.00 C ATOM 552 C GLN A 418 -0.814 1.891 -2.656 1.00 0.00 C ATOM 553 O GLN A 418 -1.149 0.705 -2.599 1.00 0.00 O ATOM 554 CB GLN A 418 1.428 2.735 -3.453 1.00 0.00 C ATOM 555 CG GLN A 418 2.231 1.599 -4.082 1.00 0.00 C ATOM 556 CD GLN A 418 1.380 0.590 -4.825 1.00 0.00 C ATOM 557 OE1 GLN A 418 0.629 0.942 -5.735 1.00 0.00 O ATOM 558 NE2 GLN A 418 1.499 -0.673 -4.448 1.00 0.00 N ATOM 0 H GLN A 418 0.960 0.344 -1.711 1.00 0.00 H new ATOM 0 HA GLN A 418 0.472 3.204 -1.595 1.00 0.00 H new ATOM 0 HB2 GLN A 418 0.769 3.158 -4.211 1.00 0.00 H new ATOM 0 HB3 GLN A 418 2.117 3.525 -3.152 1.00 0.00 H new ATOM 0 HG2 GLN A 418 2.963 2.021 -4.771 1.00 0.00 H new ATOM 0 HG3 GLN A 418 2.789 1.084 -3.300 1.00 0.00 H new ATOM 0 HE21 GLN A 418 2.133 -0.921 -3.689 1.00 0.00 H new ATOM 0 HE22 GLN A 418 0.956 -1.398 -4.917 1.00 0.00 H new ATOM 567 N PHE A 419 -1.652 2.875 -2.955 1.00 0.00 N ATOM 568 CA PHE A 419 -3.043 2.636 -3.314 1.00 0.00 C ATOM 569 C PHE A 419 -3.130 1.814 -4.594 1.00 0.00 C ATOM 570 O PHE A 419 -2.550 2.189 -5.613 1.00 0.00 O ATOM 571 CB PHE A 419 -3.752 3.983 -3.505 1.00 0.00 C ATOM 572 CG PHE A 419 -5.238 3.891 -3.685 1.00 0.00 C ATOM 573 CD1 PHE A 419 -6.031 3.305 -2.717 1.00 0.00 C ATOM 574 CD2 PHE A 419 -5.840 4.403 -4.820 1.00 0.00 C ATOM 575 CE1 PHE A 419 -7.402 3.228 -2.881 1.00 0.00 C ATOM 576 CE2 PHE A 419 -7.209 4.330 -4.989 1.00 0.00 C ATOM 577 CZ PHE A 419 -7.990 3.738 -4.019 1.00 0.00 C ATOM 0 H PHE A 419 -1.387 3.860 -2.955 1.00 0.00 H new ATOM 0 HA PHE A 419 -3.528 2.076 -2.514 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -3.543 4.613 -2.641 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -3.325 4.482 -4.375 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -5.576 2.903 -1.824 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -5.232 4.866 -5.584 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -8.012 2.768 -2.118 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -7.667 4.736 -5.879 1.00 0.00 H new ATOM 0 HZ PHE A 419 -9.060 3.674 -4.150 1.00 0.00 H new ATOM 587 N ASN A 420 -3.840 0.690 -4.529 1.00 0.00 N ATOM 588 CA ASN A 420 -4.000 -0.189 -5.689 1.00 0.00 C ATOM 589 C ASN A 420 -4.646 0.554 -6.854 1.00 0.00 C ATOM 590 O ASN A 420 -4.309 0.316 -8.011 1.00 0.00 O ATOM 591 CB ASN A 420 -4.860 -1.394 -5.335 1.00 0.00 C ATOM 592 CG ASN A 420 -4.133 -2.712 -5.450 1.00 0.00 C ATOM 593 OD1 ASN A 420 -4.226 -3.519 -4.405 1.00 0.00 O flip ATOM 594 ND2 ASN A 420 -3.507 -3.010 -6.467 1.00 0.00 N flip ATOM 0 H ASN A 420 -4.314 0.365 -3.686 1.00 0.00 H new ATOM 0 HA ASN A 420 -3.006 -0.524 -5.984 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -5.228 -1.280 -4.315 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -5.732 -1.412 -5.989 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -3.462 -2.356 -7.248 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -3.033 -3.911 -6.528 1.00 0.00 H new ATOM 601 N SER A 421 -5.593 1.436 -6.527 1.00 0.00 N ATOM 602 CA SER A 421 -6.305 2.234 -7.523 1.00 0.00 C ATOM 603 C SER A 421 -7.166 1.345 -8.415 1.00 0.00 C ATOM 604 O SER A 421 -6.825 1.093 -9.571 1.00 0.00 O ATOM 605 CB SER A 421 -5.314 3.062 -8.358 1.00 0.00 C ATOM 606 OG SER A 421 -5.978 4.047 -9.136 1.00 0.00 O ATOM 0 H SER A 421 -5.886 1.616 -5.567 1.00 0.00 H new ATOM 0 HA SER A 421 -6.968 2.924 -7.001 1.00 0.00 H new ATOM 0 HB2 SER A 421 -4.595 3.545 -7.696 1.00 0.00 H new ATOM 0 HB3 SER A 421 -4.749 2.400 -9.014 1.00 0.00 H new ATOM 0 HG SER A 421 -5.318 4.555 -9.653 1.00 0.00 H new ATOM 612 N THR A 422 -8.278 0.869 -7.855 1.00 0.00 N ATOM 613 CA THR A 422 -9.202 -0.006 -8.569 1.00 0.00 C ATOM 614 C THR A 422 -8.501 -1.294 -8.989 1.00 0.00 C ATOM 615 O THR A 422 -8.037 -1.433 -10.122 1.00 0.00 O ATOM 616 CB THR A 422 -9.809 0.696 -9.805 1.00 0.00 C ATOM 617 OG1 THR A 422 -10.373 1.960 -9.422 1.00 0.00 O ATOM 618 CG2 THR A 422 -10.887 -0.164 -10.448 1.00 0.00 C ATOM 0 H THR A 422 -8.561 1.079 -6.898 1.00 0.00 H new ATOM 0 HA THR A 422 -10.017 -0.250 -7.887 1.00 0.00 H new ATOM 0 HB THR A 422 -9.011 0.853 -10.530 1.00 0.00 H new ATOM 0 HG1 THR A 422 -10.754 2.400 -10.210 1.00 0.00 H new ATOM 0 HG21 THR A 422 -11.297 0.354 -11.315 1.00 0.00 H new ATOM 0 HG22 THR A 422 -10.455 -1.114 -10.764 1.00 0.00 H new ATOM 0 HG23 THR A 422 -11.683 -0.350 -9.727 1.00 0.00 H new ATOM 626 N LYS A 423 -8.383 -2.219 -8.049 1.00 0.00 N ATOM 627 CA LYS A 423 -7.695 -3.474 -8.299 1.00 0.00 C ATOM 628 C LYS A 423 -7.979 -4.463 -7.177 1.00 0.00 C ATOM 629 O LYS A 423 -8.213 -5.646 -7.418 1.00 0.00 O ATOM 630 CB LYS A 423 -6.184 -3.235 -8.390 1.00 0.00 C ATOM 631 CG LYS A 423 -5.425 -4.324 -9.133 1.00 0.00 C ATOM 632 CD LYS A 423 -5.751 -4.317 -10.617 1.00 0.00 C ATOM 633 CE LYS A 423 -4.918 -5.338 -11.375 1.00 0.00 C ATOM 634 NZ LYS A 423 -5.253 -6.737 -10.994 1.00 0.00 N ATOM 0 H LYS A 423 -8.756 -2.123 -7.104 1.00 0.00 H new ATOM 0 HA LYS A 423 -8.057 -3.885 -9.242 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -6.007 -2.281 -8.887 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -5.780 -3.149 -7.381 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -4.353 -4.181 -8.994 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -5.675 -5.297 -8.709 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -6.810 -4.532 -10.759 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -5.570 -3.323 -11.026 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -5.075 -5.208 -12.446 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -3.861 -5.155 -11.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -4.721 -7.398 -11.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -5.000 -6.896 -9.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -6.273 -6.897 -11.121 1.00 0.00 H new ATOM 648 N ALA A 424 -7.880 -3.980 -5.942 1.00 0.00 N ATOM 649 CA ALA A 424 -8.032 -4.844 -4.776 1.00 0.00 C ATOM 650 C ALA A 424 -9.493 -5.169 -4.485 1.00 0.00 C ATOM 651 O ALA A 424 -9.924 -6.311 -4.649 1.00 0.00 O ATOM 652 CB ALA A 424 -7.381 -4.210 -3.563 1.00 0.00 C ATOM 0 H ALA A 424 -7.696 -3.001 -5.723 1.00 0.00 H new ATOM 0 HA ALA A 424 -7.531 -5.785 -5.003 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -7.502 -4.866 -2.701 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -6.319 -4.059 -3.757 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -7.853 -3.249 -3.357 1.00 0.00 H new ATOM 658 N SER A 425 -10.237 -4.175 -4.017 1.00 0.00 N ATOM 659 CA SER A 425 -11.630 -4.372 -3.642 1.00 0.00 C ATOM 660 C SER A 425 -12.329 -3.023 -3.500 1.00 0.00 C ATOM 661 O SER A 425 -12.974 -2.741 -2.489 1.00 0.00 O ATOM 662 CB SER A 425 -11.716 -5.159 -2.328 1.00 0.00 C ATOM 663 OG SER A 425 -13.048 -5.563 -2.046 1.00 0.00 O ATOM 0 H SER A 425 -9.897 -3.222 -3.888 1.00 0.00 H new ATOM 0 HA SER A 425 -12.130 -4.944 -4.424 1.00 0.00 H new ATOM 0 HB2 SER A 425 -11.074 -6.038 -2.387 1.00 0.00 H new ATOM 0 HB3 SER A 425 -11.341 -4.544 -1.510 1.00 0.00 H new ATOM 0 HG SER A 425 -13.627 -4.774 -2.003 1.00 0.00 H new ATOM 669 N LYS A 426 -12.202 -2.193 -4.524 1.00 0.00 N ATOM 670 CA LYS A 426 -12.844 -0.887 -4.533 1.00 0.00 C ATOM 671 C LYS A 426 -12.756 -0.261 -5.916 1.00 0.00 C ATOM 672 O LYS A 426 -11.692 -0.259 -6.539 1.00 0.00 O ATOM 673 CB LYS A 426 -12.204 0.042 -3.492 1.00 0.00 C ATOM 674 CG LYS A 426 -12.816 1.434 -3.458 1.00 0.00 C ATOM 675 CD LYS A 426 -12.373 2.212 -2.231 1.00 0.00 C ATOM 676 CE LYS A 426 -12.862 1.552 -0.953 1.00 0.00 C ATOM 677 NZ LYS A 426 -12.509 2.342 0.254 1.00 0.00 N ATOM 0 H LYS A 426 -11.659 -2.401 -5.362 1.00 0.00 H new ATOM 0 HA LYS A 426 -13.894 -1.024 -4.275 1.00 0.00 H new ATOM 0 HB2 LYS A 426 -12.299 -0.412 -2.505 1.00 0.00 H new ATOM 0 HB3 LYS A 426 -11.138 0.128 -3.701 1.00 0.00 H new ATOM 0 HG2 LYS A 426 -12.530 1.979 -4.358 1.00 0.00 H new ATOM 0 HG3 LYS A 426 -13.903 1.354 -3.465 1.00 0.00 H new ATOM 0 HD2 LYS A 426 -11.285 2.281 -2.214 1.00 0.00 H new ATOM 0 HD3 LYS A 426 -12.756 3.231 -2.286 1.00 0.00 H new ATOM 0 HE2 LYS A 426 -13.944 1.428 -1.001 1.00 0.00 H new ATOM 0 HE3 LYS A 426 -12.430 0.555 -0.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 -12.862 1.855 1.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 -11.475 2.439 0.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 -12.942 3.285 0.191 1.00 0.00 H new ATOM 691 N SER A 427 -13.872 0.276 -6.378 1.00 0.00 N ATOM 692 CA SER A 427 -13.938 0.941 -7.665 1.00 0.00 C ATOM 693 C SER A 427 -15.183 1.811 -7.725 1.00 0.00 C ATOM 694 O SER A 427 -15.957 1.801 -6.741 1.00 0.00 O ATOM 695 CB SER A 427 -13.942 -0.086 -8.799 1.00 0.00 C ATOM 696 OG SER A 427 -14.912 -1.096 -8.576 1.00 0.00 O ATOM 697 OXT SER A 427 -15.378 2.509 -8.736 1.00 0.00 O ATOM 0 H SER A 427 -14.757 0.263 -5.871 1.00 0.00 H new ATOM 0 HA SER A 427 -13.058 1.573 -7.786 1.00 0.00 H new ATOM 0 HB2 SER A 427 -14.146 0.415 -9.745 1.00 0.00 H new ATOM 0 HB3 SER A 427 -12.955 -0.540 -8.885 1.00 0.00 H new ATOM 0 HG SER A 427 -14.893 -1.737 -9.317 1.00 0.00 H new TER 703 SER A 427