USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=13 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 Set 1.1: A 421 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 422 THR OG1 : rot 20:sc= 0.788 USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 SER OG : rot 180:sc= 0 USER MOD Single : A 390 ASN : amide:sc= -2.49! K(o=-2.5!,f=-0.99) USER MOD Single : A 391 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 393 THR OG1 : rot 6:sc= 0.985 USER MOD Single : A 397 LYS NZ :NH3+ -165:sc= -0.0476 (180deg=-0.294) USER MOD Single : A 399 SER OG : rot -80:sc= 1.23 USER MOD Single : A 402 LYS NZ :NH3+ 161:sc= -0.119 (180deg=-0.475) USER MOD Single : A 405 SER OG : rot 180:sc= 0 USER MOD Single : A 407 HIS : no HE2:sc= -0.487 K(o=-0.49,f=-4.7!) USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 411 LYS NZ :NH3+ 168:sc= -0.0201 (180deg=-0.181) USER MOD Single : A 415 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 416 ASN : amide:sc= -0.0545 K(o=-0.055,f=-1.6) USER MOD Single : A 418 GLN : amide:sc= 0.732 K(o=0.73,f=-0.28) USER MOD Single : A 420 ASN : amide:sc= -2.21! C(o=-2.2!,f=-7.6!) USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 425 SER OG : rot 180:sc= 0 USER MOD Single : A 426 LYS NZ :NH3+ -138:sc= -1.1 (180deg=-3.31!) USER MOD Single : A 427 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 382 -10.035 8.332 4.791 1.00 0.00 N ATOM 2 CA GLY A 382 -9.335 9.480 5.415 1.00 0.00 C ATOM 3 C GLY A 382 -9.014 10.554 4.400 1.00 0.00 C ATOM 4 O GLY A 382 -9.877 10.942 3.613 1.00 0.00 O ATOM 0 HA2 GLY A 382 -9.957 9.900 6.206 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -8.414 9.134 5.884 1.00 0.00 H new ATOM 10 N LYS A 383 -7.763 10.998 4.379 1.00 0.00 N ATOM 11 CA LYS A 383 -7.313 11.988 3.408 1.00 0.00 C ATOM 12 C LYS A 383 -7.036 11.315 2.059 1.00 0.00 C ATOM 13 O LYS A 383 -7.796 10.444 1.632 1.00 0.00 O ATOM 14 CB LYS A 383 -6.062 12.700 3.939 1.00 0.00 C ATOM 15 CG LYS A 383 -6.288 13.391 5.279 1.00 0.00 C ATOM 16 CD LYS A 383 -4.991 13.903 5.890 1.00 0.00 C ATOM 17 CE LYS A 383 -4.360 15.000 5.050 1.00 0.00 C ATOM 18 NZ LYS A 383 -3.101 15.505 5.658 1.00 0.00 N ATOM 0 H LYS A 383 -7.039 10.686 5.027 1.00 0.00 H new ATOM 0 HA LYS A 383 -8.095 12.732 3.258 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -5.255 11.974 4.043 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -5.734 13.438 3.207 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -6.977 14.224 5.144 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -6.762 12.694 5.970 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -5.188 14.282 6.893 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -4.288 13.076 5.994 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -4.153 14.619 4.050 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -5.065 15.823 4.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -2.700 16.252 5.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -3.302 15.892 6.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -2.419 14.725 5.742 1.00 0.00 H new ATOM 32 N SER A 384 -5.920 11.657 1.426 1.00 0.00 N ATOM 33 CA SER A 384 -5.540 11.014 0.174 1.00 0.00 C ATOM 34 C SER A 384 -5.277 9.521 0.403 1.00 0.00 C ATOM 35 O SER A 384 -4.567 9.150 1.337 1.00 0.00 O ATOM 36 CB SER A 384 -4.302 11.697 -0.412 1.00 0.00 C ATOM 37 OG SER A 384 -4.567 13.056 -0.731 1.00 0.00 O ATOM 0 H SER A 384 -5.268 12.369 1.755 1.00 0.00 H new ATOM 0 HA SER A 384 -6.359 11.112 -0.538 1.00 0.00 H new ATOM 0 HB2 SER A 384 -3.481 11.642 0.303 1.00 0.00 H new ATOM 0 HB3 SER A 384 -3.981 11.166 -1.308 1.00 0.00 H new ATOM 0 HG SER A 384 -3.759 13.469 -1.102 1.00 0.00 H new ATOM 43 N PRO A 385 -5.929 8.649 -0.384 1.00 0.00 N ATOM 44 CA PRO A 385 -5.848 7.191 -0.201 1.00 0.00 C ATOM 45 C PRO A 385 -4.443 6.631 -0.404 1.00 0.00 C ATOM 46 O PRO A 385 -3.995 5.770 0.355 1.00 0.00 O ATOM 47 CB PRO A 385 -6.805 6.637 -1.259 1.00 0.00 C ATOM 48 CG PRO A 385 -7.002 7.747 -2.237 1.00 0.00 C ATOM 49 CD PRO A 385 -6.874 9.014 -1.450 1.00 0.00 C ATOM 0 HA PRO A 385 -6.107 6.909 0.820 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -6.386 5.756 -1.745 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -7.752 6.335 -0.812 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -6.258 7.704 -3.032 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -7.980 7.680 -2.713 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -6.495 9.832 -2.062 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -7.833 9.336 -1.045 1.00 0.00 H new ATOM 57 N GLU A 386 -3.726 7.139 -1.394 1.00 0.00 N ATOM 58 CA GLU A 386 -2.361 6.696 -1.621 1.00 0.00 C ATOM 59 C GLU A 386 -1.482 7.165 -0.472 1.00 0.00 C ATOM 60 O GLU A 386 -0.688 6.401 0.073 1.00 0.00 O ATOM 61 CB GLU A 386 -1.822 7.227 -2.952 1.00 0.00 C ATOM 62 CG GLU A 386 -0.553 6.523 -3.407 1.00 0.00 C ATOM 63 CD GLU A 386 0.006 7.079 -4.702 1.00 0.00 C ATOM 64 OE1 GLU A 386 -0.473 8.136 -5.166 1.00 0.00 O ATOM 65 OE2 GLU A 386 0.948 6.470 -5.253 1.00 0.00 O ATOM 0 H GLU A 386 -4.061 7.849 -2.045 1.00 0.00 H new ATOM 0 HA GLU A 386 -2.350 5.607 -1.669 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -2.588 7.113 -3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -1.624 8.295 -2.856 1.00 0.00 H new ATOM 0 HG2 GLU A 386 0.203 6.609 -2.626 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -0.760 5.461 -3.535 1.00 0.00 H new ATOM 72 N ALA A 387 -1.687 8.414 -0.071 1.00 0.00 N ATOM 73 CA ALA A 387 -0.940 9.012 1.027 1.00 0.00 C ATOM 74 C ALA A 387 -1.180 8.282 2.342 1.00 0.00 C ATOM 75 O ALA A 387 -0.248 8.084 3.124 1.00 0.00 O ATOM 76 CB ALA A 387 -1.296 10.483 1.168 1.00 0.00 C ATOM 0 H ALA A 387 -2.373 9.038 -0.496 1.00 0.00 H new ATOM 0 HA ALA A 387 0.120 8.921 0.790 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -0.730 10.917 1.992 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -1.051 11.007 0.244 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -2.363 10.582 1.369 1.00 0.00 H new ATOM 82 N GLU A 388 -2.432 7.909 2.603 1.00 0.00 N ATOM 83 CA GLU A 388 -2.769 7.239 3.849 1.00 0.00 C ATOM 84 C GLU A 388 -2.048 5.897 3.939 1.00 0.00 C ATOM 85 O GLU A 388 -1.451 5.572 4.969 1.00 0.00 O ATOM 86 CB GLU A 388 -4.289 7.070 4.001 1.00 0.00 C ATOM 87 CG GLU A 388 -4.898 5.941 3.191 1.00 0.00 C ATOM 88 CD GLU A 388 -6.388 5.810 3.414 1.00 0.00 C ATOM 89 OE1 GLU A 388 -6.809 5.661 4.582 1.00 0.00 O ATOM 90 OE2 GLU A 388 -7.147 5.843 2.425 1.00 0.00 O ATOM 0 H GLU A 388 -3.220 8.059 1.973 1.00 0.00 H new ATOM 0 HA GLU A 388 -2.432 7.864 4.676 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -4.516 6.904 5.054 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -4.773 8.004 3.714 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.706 6.112 2.132 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -4.410 5.003 3.456 1.00 0.00 H new ATOM 97 N CYS A 389 -2.029 5.165 2.831 1.00 0.00 N ATOM 98 CA CYS A 389 -1.306 3.909 2.763 1.00 0.00 C ATOM 99 C CYS A 389 0.205 4.145 2.788 1.00 0.00 C ATOM 100 O CYS A 389 0.932 3.429 3.468 1.00 0.00 O ATOM 101 CB CYS A 389 -1.719 3.130 1.515 1.00 0.00 C ATOM 102 SG CYS A 389 -3.448 2.558 1.557 1.00 0.00 S ATOM 0 H CYS A 389 -2.508 5.424 1.968 1.00 0.00 H new ATOM 0 HA CYS A 389 -1.561 3.315 3.640 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -1.574 3.761 0.638 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -1.062 2.268 1.400 1.00 0.00 H new ATOM 107 N ASN A 390 0.661 5.208 2.129 1.00 0.00 N ATOM 108 CA ASN A 390 2.080 5.579 2.142 1.00 0.00 C ATOM 109 C ASN A 390 2.613 5.670 3.571 1.00 0.00 C ATOM 110 O ASN A 390 3.766 5.338 3.832 1.00 0.00 O ATOM 111 CB ASN A 390 2.305 6.924 1.441 1.00 0.00 C ATOM 112 CG ASN A 390 2.363 6.839 -0.079 1.00 0.00 C ATOM 113 OD1 ASN A 390 2.451 7.859 -0.756 1.00 0.00 O ATOM 114 ND2 ASN A 390 2.337 5.639 -0.634 1.00 0.00 N ATOM 0 H ASN A 390 0.070 5.830 1.578 1.00 0.00 H new ATOM 0 HA ASN A 390 2.619 4.798 1.606 1.00 0.00 H new ATOM 0 HB2 ASN A 390 1.504 7.606 1.724 1.00 0.00 H new ATOM 0 HB3 ASN A 390 3.236 7.358 1.804 1.00 0.00 H new ATOM 0 HD21 ASN A 390 2.391 5.545 -1.648 1.00 0.00 H new ATOM 0 HD22 ASN A 390 2.263 4.807 -0.048 1.00 0.00 H new ATOM 121 N LYS A 391 1.773 6.149 4.482 1.00 0.00 N ATOM 122 CA LYS A 391 2.161 6.329 5.878 1.00 0.00 C ATOM 123 C LYS A 391 2.280 5.002 6.635 1.00 0.00 C ATOM 124 O LYS A 391 2.839 4.969 7.730 1.00 0.00 O ATOM 125 CB LYS A 391 1.169 7.246 6.594 1.00 0.00 C ATOM 126 CG LYS A 391 1.250 8.699 6.150 1.00 0.00 C ATOM 127 CD LYS A 391 0.254 9.572 6.894 1.00 0.00 C ATOM 128 CE LYS A 391 -1.176 9.209 6.540 1.00 0.00 C ATOM 129 NZ LYS A 391 -2.165 10.054 7.259 1.00 0.00 N ATOM 0 H LYS A 391 0.812 6.422 4.277 1.00 0.00 H new ATOM 0 HA LYS A 391 3.149 6.789 5.871 1.00 0.00 H new ATOM 0 HB2 LYS A 391 0.158 6.878 6.421 1.00 0.00 H new ATOM 0 HB3 LYS A 391 1.348 7.193 7.668 1.00 0.00 H new ATOM 0 HG2 LYS A 391 2.259 9.075 6.318 1.00 0.00 H new ATOM 0 HG3 LYS A 391 1.060 8.763 5.079 1.00 0.00 H new ATOM 0 HD2 LYS A 391 0.403 9.462 7.968 1.00 0.00 H new ATOM 0 HD3 LYS A 391 0.435 10.619 6.653 1.00 0.00 H new ATOM 0 HE2 LYS A 391 -1.321 9.318 5.465 1.00 0.00 H new ATOM 0 HE3 LYS A 391 -1.353 8.161 6.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 -3.128 9.770 6.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 -2.046 9.931 8.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 -2.015 11.052 7.010 1.00 0.00 H new ATOM 143 N ILE A 392 1.700 3.928 6.098 1.00 0.00 N ATOM 144 CA ILE A 392 1.744 2.623 6.768 1.00 0.00 C ATOM 145 C ILE A 392 3.189 2.179 6.975 1.00 0.00 C ATOM 146 O ILE A 392 3.614 1.929 8.104 1.00 0.00 O ATOM 147 CB ILE A 392 0.992 1.526 5.969 1.00 0.00 C ATOM 148 CG1 ILE A 392 -0.503 1.845 5.859 1.00 0.00 C ATOM 149 CG2 ILE A 392 1.199 0.160 6.606 1.00 0.00 C ATOM 150 CD1 ILE A 392 -1.185 2.057 7.193 1.00 0.00 C ATOM 0 H ILE A 392 1.198 3.932 5.210 1.00 0.00 H new ATOM 0 HA ILE A 392 1.246 2.748 7.730 1.00 0.00 H new ATOM 0 HB ILE A 392 1.407 1.506 4.961 1.00 0.00 H new ATOM 0 HG12 ILE A 392 -0.629 2.741 5.251 1.00 0.00 H new ATOM 0 HG13 ILE A 392 -1.001 1.030 5.333 1.00 0.00 H new ATOM 0 HG21 ILE A 392 0.663 -0.595 6.030 1.00 0.00 H new ATOM 0 HG22 ILE A 392 2.262 -0.079 6.617 1.00 0.00 H new ATOM 0 HG23 ILE A 392 0.820 0.174 7.628 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -2.240 2.278 7.031 1.00 0.00 H new ATOM 0 HD12 ILE A 392 -1.092 1.154 7.797 1.00 0.00 H new ATOM 0 HD13 ILE A 392 -0.715 2.892 7.713 1.00 0.00 H new ATOM 162 N THR A 393 3.941 2.156 5.875 1.00 0.00 N ATOM 163 CA THR A 393 5.375 1.844 5.871 1.00 0.00 C ATOM 164 C THR A 393 5.681 0.504 6.541 1.00 0.00 C ATOM 165 O THR A 393 6.760 0.307 7.105 1.00 0.00 O ATOM 166 CB THR A 393 6.211 2.972 6.528 1.00 0.00 C ATOM 167 OG1 THR A 393 5.869 3.133 7.913 1.00 0.00 O ATOM 168 CG2 THR A 393 5.983 4.290 5.805 1.00 0.00 C ATOM 0 H THR A 393 3.568 2.356 4.947 1.00 0.00 H new ATOM 0 HA THR A 393 5.663 1.766 4.823 1.00 0.00 H new ATOM 0 HB THR A 393 7.261 2.688 6.454 1.00 0.00 H new ATOM 0 HG1 THR A 393 5.240 2.430 8.179 1.00 0.00 H new ATOM 0 HG21 THR A 393 6.577 5.072 6.278 1.00 0.00 H new ATOM 0 HG22 THR A 393 6.281 4.189 4.762 1.00 0.00 H new ATOM 0 HG23 THR A 393 4.927 4.555 5.856 1.00 0.00 H new ATOM 176 N GLU A 394 4.745 -0.431 6.423 1.00 0.00 N ATOM 177 CA GLU A 394 4.904 -1.765 6.998 1.00 0.00 C ATOM 178 C GLU A 394 4.157 -2.802 6.168 1.00 0.00 C ATOM 179 O GLU A 394 2.998 -2.598 5.812 1.00 0.00 O ATOM 180 CB GLU A 394 4.382 -1.796 8.435 1.00 0.00 C ATOM 181 CG GLU A 394 5.265 -1.068 9.432 1.00 0.00 C ATOM 182 CD GLU A 394 4.686 -1.065 10.828 1.00 0.00 C ATOM 183 OE1 GLU A 394 3.548 -1.547 11.007 1.00 0.00 O ATOM 184 OE2 GLU A 394 5.361 -0.571 11.756 1.00 0.00 O ATOM 0 H GLU A 394 3.862 -0.290 5.932 1.00 0.00 H new ATOM 0 HA GLU A 394 5.967 -2.005 6.996 1.00 0.00 H new ATOM 0 HB2 GLU A 394 3.386 -1.354 8.458 1.00 0.00 H new ATOM 0 HB3 GLU A 394 4.277 -2.834 8.750 1.00 0.00 H new ATOM 0 HG2 GLU A 394 6.248 -1.538 9.452 1.00 0.00 H new ATOM 0 HG3 GLU A 394 5.410 -0.040 9.100 1.00 0.00 H new ATOM 191 N GLU A 395 4.840 -3.894 5.842 1.00 0.00 N ATOM 192 CA GLU A 395 4.275 -4.962 5.028 1.00 0.00 C ATOM 193 C GLU A 395 3.027 -5.578 5.670 1.00 0.00 C ATOM 194 O GLU A 395 2.014 -5.729 4.991 1.00 0.00 O ATOM 195 CB GLU A 395 5.339 -6.041 4.759 1.00 0.00 C ATOM 196 CG GLU A 395 4.966 -7.036 3.666 1.00 0.00 C ATOM 197 CD GLU A 395 4.233 -8.267 4.171 1.00 0.00 C ATOM 198 OE1 GLU A 395 4.135 -8.464 5.401 1.00 0.00 O ATOM 199 OE2 GLU A 395 3.783 -9.070 3.330 1.00 0.00 O ATOM 0 H GLU A 395 5.802 -4.063 6.136 1.00 0.00 H new ATOM 0 HA GLU A 395 3.962 -4.525 4.080 1.00 0.00 H new ATOM 0 HB2 GLU A 395 6.273 -5.552 4.484 1.00 0.00 H new ATOM 0 HB3 GLU A 395 5.525 -6.588 5.683 1.00 0.00 H new ATOM 0 HG2 GLU A 395 4.342 -6.532 2.928 1.00 0.00 H new ATOM 0 HG3 GLU A 395 5.874 -7.352 3.152 1.00 0.00 H new ATOM 206 N PRO A 396 3.074 -5.992 6.960 1.00 0.00 N ATOM 207 CA PRO A 396 1.936 -6.662 7.603 1.00 0.00 C ATOM 208 C PRO A 396 0.620 -5.903 7.436 1.00 0.00 C ATOM 209 O PRO A 396 -0.342 -6.440 6.891 1.00 0.00 O ATOM 210 CB PRO A 396 2.346 -6.722 9.074 1.00 0.00 C ATOM 211 CG PRO A 396 3.833 -6.763 9.043 1.00 0.00 C ATOM 212 CD PRO A 396 4.245 -5.924 7.865 1.00 0.00 C ATOM 0 HA PRO A 396 1.742 -7.638 7.159 1.00 0.00 H new ATOM 0 HB2 PRO A 396 1.984 -5.853 9.623 1.00 0.00 H new ATOM 0 HB3 PRO A 396 1.934 -7.604 9.565 1.00 0.00 H new ATOM 0 HG2 PRO A 396 4.254 -6.370 9.968 1.00 0.00 H new ATOM 0 HG3 PRO A 396 4.193 -7.786 8.938 1.00 0.00 H new ATOM 0 HD2 PRO A 396 4.464 -4.898 8.161 1.00 0.00 H new ATOM 0 HD3 PRO A 396 5.143 -6.316 7.388 1.00 0.00 H new ATOM 220 N LYS A 397 0.595 -4.643 7.851 1.00 0.00 N ATOM 221 CA LYS A 397 -0.610 -3.828 7.722 1.00 0.00 C ATOM 222 C LYS A 397 -0.931 -3.518 6.263 1.00 0.00 C ATOM 223 O LYS A 397 -2.093 -3.553 5.859 1.00 0.00 O ATOM 224 CB LYS A 397 -0.466 -2.522 8.503 1.00 0.00 C ATOM 225 CG LYS A 397 -0.547 -2.694 10.010 1.00 0.00 C ATOM 226 CD LYS A 397 -0.458 -1.355 10.725 1.00 0.00 C ATOM 227 CE LYS A 397 -0.608 -1.513 12.229 1.00 0.00 C ATOM 228 NZ LYS A 397 -1.926 -2.087 12.603 1.00 0.00 N ATOM 0 H LYS A 397 1.388 -4.164 8.277 1.00 0.00 H new ATOM 0 HA LYS A 397 -1.434 -4.409 8.137 1.00 0.00 H new ATOM 0 HB2 LYS A 397 0.490 -2.063 8.250 1.00 0.00 H new ATOM 0 HB3 LYS A 397 -1.246 -1.831 8.184 1.00 0.00 H new ATOM 0 HG2 LYS A 397 -1.483 -3.187 10.272 1.00 0.00 H new ATOM 0 HG3 LYS A 397 0.261 -3.343 10.348 1.00 0.00 H new ATOM 0 HD2 LYS A 397 0.500 -0.886 10.502 1.00 0.00 H new ATOM 0 HD3 LYS A 397 -1.235 -0.689 10.349 1.00 0.00 H new ATOM 0 HE2 LYS A 397 0.187 -2.156 12.606 1.00 0.00 H new ATOM 0 HE3 LYS A 397 -0.487 -0.542 12.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 -2.091 -1.945 13.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 -2.677 -1.614 12.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 -1.934 -3.105 12.390 1.00 0.00 H new ATOM 242 N CYS A 398 0.087 -3.136 5.500 1.00 0.00 N ATOM 243 CA CYS A 398 -0.112 -2.702 4.120 1.00 0.00 C ATOM 244 C CYS A 398 -0.658 -3.830 3.254 1.00 0.00 C ATOM 245 O CYS A 398 -1.542 -3.616 2.430 1.00 0.00 O ATOM 246 CB CYS A 398 1.195 -2.199 3.523 1.00 0.00 C ATOM 247 SG CYS A 398 0.978 -1.197 2.023 1.00 0.00 S ATOM 0 H CYS A 398 1.058 -3.118 5.812 1.00 0.00 H new ATOM 0 HA CYS A 398 -0.841 -1.892 4.138 1.00 0.00 H new ATOM 0 HB2 CYS A 398 1.721 -1.607 4.271 1.00 0.00 H new ATOM 0 HB3 CYS A 398 1.830 -3.054 3.289 1.00 0.00 H new ATOM 252 N SER A 399 -0.111 -5.022 3.432 1.00 0.00 N ATOM 253 CA SER A 399 -0.533 -6.176 2.657 1.00 0.00 C ATOM 254 C SER A 399 -1.993 -6.515 2.961 1.00 0.00 C ATOM 255 O SER A 399 -2.742 -6.942 2.080 1.00 0.00 O ATOM 256 CB SER A 399 0.383 -7.365 2.958 1.00 0.00 C ATOM 257 OG SER A 399 0.325 -7.719 4.330 1.00 0.00 O ATOM 0 H SER A 399 0.628 -5.215 4.108 1.00 0.00 H new ATOM 0 HA SER A 399 -0.458 -5.943 1.595 1.00 0.00 H new ATOM 0 HB2 SER A 399 0.090 -8.218 2.346 1.00 0.00 H new ATOM 0 HB3 SER A 399 1.409 -7.116 2.686 1.00 0.00 H new ATOM 0 HG SER A 399 0.893 -7.112 4.849 1.00 0.00 H new ATOM 263 N GLU A 400 -2.400 -6.273 4.205 1.00 0.00 N ATOM 264 CA GLU A 400 -3.777 -6.496 4.626 1.00 0.00 C ATOM 265 C GLU A 400 -4.721 -5.471 4.006 1.00 0.00 C ATOM 266 O GLU A 400 -5.889 -5.774 3.754 1.00 0.00 O ATOM 267 CB GLU A 400 -3.892 -6.446 6.146 1.00 0.00 C ATOM 268 CG GLU A 400 -3.204 -7.602 6.845 1.00 0.00 C ATOM 269 CD GLU A 400 -3.497 -7.629 8.326 1.00 0.00 C ATOM 270 OE1 GLU A 400 -3.159 -6.649 9.023 1.00 0.00 O ATOM 271 OE2 GLU A 400 -4.071 -8.632 8.802 1.00 0.00 O ATOM 0 H GLU A 400 -1.789 -5.920 4.942 1.00 0.00 H new ATOM 0 HA GLU A 400 -4.067 -7.487 4.278 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -3.464 -5.509 6.504 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -4.946 -6.441 6.422 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -3.527 -8.541 6.395 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -2.127 -7.529 6.691 1.00 0.00 H new ATOM 278 N GLU A 401 -4.219 -4.259 3.775 1.00 0.00 N ATOM 279 CA GLU A 401 -5.016 -3.209 3.148 1.00 0.00 C ATOM 280 C GLU A 401 -5.555 -3.702 1.808 1.00 0.00 C ATOM 281 O GLU A 401 -4.870 -4.419 1.079 1.00 0.00 O ATOM 282 CB GLU A 401 -4.185 -1.933 2.953 1.00 0.00 C ATOM 283 CG GLU A 401 -3.710 -1.294 4.256 1.00 0.00 C ATOM 284 CD GLU A 401 -4.843 -0.742 5.102 1.00 0.00 C ATOM 285 OE1 GLU A 401 -6.016 -0.841 4.683 1.00 0.00 O ATOM 286 OE2 GLU A 401 -4.566 -0.209 6.199 1.00 0.00 O ATOM 0 H GLU A 401 -3.267 -3.981 4.012 1.00 0.00 H new ATOM 0 HA GLU A 401 -5.853 -2.968 3.804 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -3.316 -2.168 2.338 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -4.779 -1.206 2.400 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -3.160 -2.035 4.836 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -3.013 -0.489 4.025 1.00 0.00 H new ATOM 293 N LYS A 402 -6.836 -3.470 1.571 1.00 0.00 N ATOM 294 CA LYS A 402 -7.505 -4.031 0.408 1.00 0.00 C ATOM 295 C LYS A 402 -7.251 -3.184 -0.827 1.00 0.00 C ATOM 296 O LYS A 402 -6.889 -3.700 -1.886 1.00 0.00 O ATOM 297 CB LYS A 402 -9.014 -4.158 0.652 1.00 0.00 C ATOM 298 CG LYS A 402 -9.386 -5.102 1.793 1.00 0.00 C ATOM 299 CD LYS A 402 -9.259 -4.448 3.166 1.00 0.00 C ATOM 300 CE LYS A 402 -10.338 -3.399 3.402 1.00 0.00 C ATOM 301 NZ LYS A 402 -11.706 -3.970 3.296 1.00 0.00 N ATOM 0 H LYS A 402 -7.433 -2.898 2.168 1.00 0.00 H new ATOM 0 HA LYS A 402 -7.093 -5.026 0.240 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -9.421 -3.170 0.866 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -9.491 -4.507 -0.264 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -10.410 -5.448 1.653 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -8.745 -5.982 1.754 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -9.323 -5.214 3.939 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -8.277 -3.984 3.257 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -10.205 -2.959 4.390 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -10.225 -2.593 2.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -12.384 -3.336 3.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -11.963 -4.071 2.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -11.729 -4.903 3.755 1.00 0.00 H new ATOM 315 N ILE A 403 -7.469 -1.886 -0.697 1.00 0.00 N ATOM 316 CA ILE A 403 -7.316 -0.973 -1.819 1.00 0.00 C ATOM 317 C ILE A 403 -5.881 -0.433 -1.883 1.00 0.00 C ATOM 318 O ILE A 403 -5.556 0.453 -2.677 1.00 0.00 O ATOM 319 CB ILE A 403 -8.354 0.170 -1.729 1.00 0.00 C ATOM 320 CG1 ILE A 403 -8.563 0.817 -3.100 1.00 0.00 C ATOM 321 CG2 ILE A 403 -7.936 1.206 -0.693 1.00 0.00 C ATOM 322 CD1 ILE A 403 -9.764 1.739 -3.157 1.00 0.00 C ATOM 0 H ILE A 403 -7.753 -1.440 0.175 1.00 0.00 H new ATOM 0 HA ILE A 403 -7.503 -1.517 -2.745 1.00 0.00 H new ATOM 0 HB ILE A 403 -9.304 -0.257 -1.407 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -7.669 1.381 -3.367 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -8.681 0.033 -3.848 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -8.683 1.999 -0.649 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -7.854 0.731 0.284 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -6.972 1.631 -0.972 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -9.851 2.162 -4.158 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -10.667 1.175 -2.922 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -9.640 2.544 -2.433 1.00 0.00 H new ATOM 334 N CYS A 404 -4.991 -1.135 -1.195 1.00 0.00 N ATOM 335 CA CYS A 404 -3.562 -0.871 -1.266 1.00 0.00 C ATOM 336 C CYS A 404 -2.804 -2.191 -1.218 1.00 0.00 C ATOM 337 O CYS A 404 -3.403 -3.240 -0.977 1.00 0.00 O ATOM 338 CB CYS A 404 -3.122 0.052 -0.127 1.00 0.00 C ATOM 339 SG CYS A 404 -3.739 1.760 -0.281 1.00 0.00 S ATOM 0 H CYS A 404 -5.240 -1.903 -0.572 1.00 0.00 H new ATOM 0 HA CYS A 404 -3.338 -0.364 -2.205 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -3.467 -0.365 0.819 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -2.033 0.072 -0.088 1.00 0.00 H new ATOM 344 N SER A 405 -1.534 -2.167 -1.585 1.00 0.00 N ATOM 345 CA SER A 405 -0.758 -3.392 -1.690 1.00 0.00 C ATOM 346 C SER A 405 0.714 -3.095 -1.449 1.00 0.00 C ATOM 347 O SER A 405 1.179 -1.981 -1.709 1.00 0.00 O ATOM 348 CB SER A 405 -0.965 -4.017 -3.076 1.00 0.00 C ATOM 349 OG SER A 405 -0.452 -5.339 -3.142 1.00 0.00 O ATOM 0 H SER A 405 -1.020 -1.317 -1.815 1.00 0.00 H new ATOM 0 HA SER A 405 -1.094 -4.101 -0.934 1.00 0.00 H new ATOM 0 HB2 SER A 405 -2.029 -4.028 -3.314 1.00 0.00 H new ATOM 0 HB3 SER A 405 -0.476 -3.400 -3.829 1.00 0.00 H new ATOM 0 HG SER A 405 -0.604 -5.704 -4.039 1.00 0.00 H new ATOM 355 N TRP A 406 1.429 -4.058 -0.888 1.00 0.00 N ATOM 356 CA TRP A 406 2.836 -3.871 -0.593 1.00 0.00 C ATOM 357 C TRP A 406 3.669 -4.015 -1.861 1.00 0.00 C ATOM 358 O TRP A 406 3.621 -5.035 -2.550 1.00 0.00 O ATOM 359 CB TRP A 406 3.309 -4.865 0.471 1.00 0.00 C ATOM 360 CG TRP A 406 4.684 -4.570 0.995 1.00 0.00 C ATOM 361 CD1 TRP A 406 5.804 -5.322 0.812 1.00 0.00 C ATOM 362 CD2 TRP A 406 5.081 -3.457 1.808 1.00 0.00 C ATOM 363 NE1 TRP A 406 6.873 -4.744 1.445 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.455 -3.601 2.065 1.00 0.00 C ATOM 365 CE3 TRP A 406 4.409 -2.354 2.340 1.00 0.00 C ATOM 366 CZ2 TRP A 406 7.172 -2.682 2.831 1.00 0.00 C ATOM 367 CZ3 TRP A 406 5.122 -1.443 3.100 1.00 0.00 C ATOM 368 CH2 TRP A 406 6.487 -1.611 3.339 1.00 0.00 C ATOM 0 H TRP A 406 1.058 -4.972 -0.630 1.00 0.00 H new ATOM 0 HA TRP A 406 2.969 -2.863 -0.200 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.603 -4.860 1.302 1.00 0.00 H new ATOM 0 HB3 TRP A 406 3.297 -5.870 0.049 1.00 0.00 H new ATOM 0 HD1 TRP A 406 5.844 -6.242 0.249 1.00 0.00 H new ATOM 0 HE1 TRP A 406 7.826 -5.108 1.452 1.00 0.00 H new ATOM 0 HE3 TRP A 406 3.353 -2.215 2.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 8.228 -2.810 3.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 4.613 -0.586 3.516 1.00 0.00 H new ATOM 0 HH2 TRP A 406 7.013 -0.881 3.937 1.00 0.00 H new ATOM 379 N HIS A 407 4.413 -2.971 -2.160 1.00 0.00 N ATOM 380 CA HIS A 407 5.264 -2.901 -3.335 1.00 0.00 C ATOM 381 C HIS A 407 6.623 -3.516 -3.008 1.00 0.00 C ATOM 382 O HIS A 407 7.518 -2.823 -2.532 1.00 0.00 O ATOM 383 CB HIS A 407 5.410 -1.426 -3.722 1.00 0.00 C ATOM 384 CG HIS A 407 5.684 -1.147 -5.159 1.00 0.00 C ATOM 385 ND1 HIS A 407 6.828 -1.543 -5.800 1.00 0.00 N ATOM 386 CD2 HIS A 407 4.979 -0.429 -6.066 1.00 0.00 C ATOM 387 CE1 HIS A 407 6.828 -1.076 -7.030 1.00 0.00 C ATOM 388 NE2 HIS A 407 5.713 -0.401 -7.221 1.00 0.00 N ATOM 0 H HIS A 407 4.446 -2.130 -1.584 1.00 0.00 H new ATOM 0 HA HIS A 407 4.832 -3.455 -4.169 1.00 0.00 H new ATOM 0 HB2 HIS A 407 4.494 -0.906 -3.441 1.00 0.00 H new ATOM 0 HB3 HIS A 407 6.217 -0.995 -3.129 1.00 0.00 H new ATOM 0 HD1 HIS A 407 7.567 -2.113 -5.387 1.00 0.00 H new ATOM 0 HD2 HIS A 407 4.017 0.035 -5.907 1.00 0.00 H new ATOM 0 HE1 HIS A 407 7.610 -1.222 -7.760 1.00 0.00 H new ATOM 397 N LYS A 408 6.696 -4.841 -3.060 1.00 0.00 N ATOM 398 CA LYS A 408 7.879 -5.563 -2.595 1.00 0.00 C ATOM 399 C LYS A 408 9.116 -5.187 -3.404 1.00 0.00 C ATOM 400 O LYS A 408 10.131 -4.766 -2.847 1.00 0.00 O ATOM 401 CB LYS A 408 7.648 -7.073 -2.672 1.00 0.00 C ATOM 402 CG LYS A 408 6.416 -7.541 -1.918 1.00 0.00 C ATOM 403 CD LYS A 408 6.323 -9.056 -1.861 1.00 0.00 C ATOM 404 CE LYS A 408 7.405 -9.647 -0.970 1.00 0.00 C ATOM 405 NZ LYS A 408 7.214 -11.104 -0.756 1.00 0.00 N ATOM 0 H LYS A 408 5.952 -5.439 -3.419 1.00 0.00 H new ATOM 0 HA LYS A 408 8.051 -5.278 -1.557 1.00 0.00 H new ATOM 0 HB2 LYS A 408 7.555 -7.365 -3.718 1.00 0.00 H new ATOM 0 HB3 LYS A 408 8.523 -7.586 -2.274 1.00 0.00 H new ATOM 0 HG2 LYS A 408 6.438 -7.141 -0.904 1.00 0.00 H new ATOM 0 HG3 LYS A 408 5.523 -7.141 -2.399 1.00 0.00 H new ATOM 0 HD2 LYS A 408 5.342 -9.348 -1.486 1.00 0.00 H new ATOM 0 HD3 LYS A 408 6.415 -9.465 -2.867 1.00 0.00 H new ATOM 0 HE2 LYS A 408 8.382 -9.472 -1.421 1.00 0.00 H new ATOM 0 HE3 LYS A 408 7.402 -9.136 -0.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 7.972 -11.467 -0.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 6.293 -11.270 -0.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 7.243 -11.596 -1.672 1.00 0.00 H new ATOM 419 N GLU A 409 9.005 -5.278 -4.719 1.00 0.00 N ATOM 420 CA GLU A 409 10.076 -4.870 -5.606 1.00 0.00 C ATOM 421 C GLU A 409 10.005 -3.372 -5.832 1.00 0.00 C ATOM 422 O GLU A 409 8.995 -2.879 -6.308 1.00 0.00 O ATOM 423 CB GLU A 409 9.940 -5.598 -6.939 1.00 0.00 C ATOM 424 CG GLU A 409 10.388 -7.048 -6.900 1.00 0.00 C ATOM 425 CD GLU A 409 11.884 -7.191 -6.703 1.00 0.00 C ATOM 426 OE1 GLU A 409 12.393 -6.839 -5.617 1.00 0.00 O ATOM 427 OE2 GLU A 409 12.565 -7.650 -7.640 1.00 0.00 O ATOM 0 H GLU A 409 8.177 -5.634 -5.196 1.00 0.00 H new ATOM 0 HA GLU A 409 11.036 -5.121 -5.155 1.00 0.00 H new ATOM 0 HB2 GLU A 409 8.898 -5.559 -7.258 1.00 0.00 H new ATOM 0 HB3 GLU A 409 10.524 -5.068 -7.692 1.00 0.00 H new ATOM 0 HG2 GLU A 409 9.868 -7.563 -6.092 1.00 0.00 H new ATOM 0 HG3 GLU A 409 10.099 -7.539 -7.829 1.00 0.00 H new ATOM 434 N VAL A 410 11.040 -2.638 -5.452 1.00 0.00 N ATOM 435 CA VAL A 410 11.004 -1.190 -5.595 1.00 0.00 C ATOM 436 C VAL A 410 12.284 -0.623 -6.187 1.00 0.00 C ATOM 437 O VAL A 410 13.388 -0.855 -5.685 1.00 0.00 O ATOM 438 CB VAL A 410 10.716 -0.466 -4.259 1.00 0.00 C ATOM 439 CG1 VAL A 410 9.272 -0.656 -3.838 1.00 0.00 C ATOM 440 CG2 VAL A 410 11.659 -0.935 -3.159 1.00 0.00 C ATOM 0 H VAL A 410 11.900 -3.011 -5.050 1.00 0.00 H new ATOM 0 HA VAL A 410 10.182 -1.004 -6.286 1.00 0.00 H new ATOM 0 HB VAL A 410 10.890 0.598 -4.420 1.00 0.00 H new ATOM 0 HG11 VAL A 410 9.096 -0.137 -2.896 1.00 0.00 H new ATOM 0 HG12 VAL A 410 8.613 -0.249 -4.605 1.00 0.00 H new ATOM 0 HG13 VAL A 410 9.067 -1.719 -3.710 1.00 0.00 H new ATOM 0 HG21 VAL A 410 11.430 -0.407 -2.234 1.00 0.00 H new ATOM 0 HG22 VAL A 410 11.534 -2.007 -3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 410 12.689 -0.728 -3.450 1.00 0.00 H new ATOM 450 N LYS A 411 12.097 0.256 -7.152 1.00 0.00 N ATOM 451 CA LYS A 411 13.169 1.064 -7.690 1.00 0.00 C ATOM 452 C LYS A 411 13.103 2.431 -7.017 1.00 0.00 C ATOM 453 O LYS A 411 12.011 2.876 -6.650 1.00 0.00 O ATOM 454 CB LYS A 411 13.009 1.199 -9.206 1.00 0.00 C ATOM 455 CG LYS A 411 14.167 1.899 -9.889 1.00 0.00 C ATOM 456 CD LYS A 411 15.426 1.046 -9.881 1.00 0.00 C ATOM 457 CE LYS A 411 16.583 1.759 -10.565 1.00 0.00 C ATOM 458 NZ LYS A 411 16.979 2.999 -9.845 1.00 0.00 N ATOM 0 H LYS A 411 11.190 0.429 -7.586 1.00 0.00 H new ATOM 0 HA LYS A 411 14.137 0.601 -7.497 1.00 0.00 H new ATOM 0 HB2 LYS A 411 12.893 0.205 -9.639 1.00 0.00 H new ATOM 0 HB3 LYS A 411 12.091 1.748 -9.417 1.00 0.00 H new ATOM 0 HG2 LYS A 411 13.894 2.134 -10.918 1.00 0.00 H new ATOM 0 HG3 LYS A 411 14.366 2.846 -9.387 1.00 0.00 H new ATOM 0 HD2 LYS A 411 15.700 0.808 -8.853 1.00 0.00 H new ATOM 0 HD3 LYS A 411 15.230 0.100 -10.386 1.00 0.00 H new ATOM 0 HE2 LYS A 411 17.438 1.086 -10.625 1.00 0.00 H new ATOM 0 HE3 LYS A 411 16.301 2.008 -11.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 17.887 3.342 -10.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 16.250 3.728 -9.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 17.077 2.795 -8.830 1.00 0.00 H new ATOM 472 N ALA A 412 14.252 3.038 -6.744 1.00 0.00 N ATOM 473 CA ALA A 412 14.283 4.315 -6.033 1.00 0.00 C ATOM 474 C ALA A 412 13.416 5.351 -6.743 1.00 0.00 C ATOM 475 O ALA A 412 13.604 5.626 -7.931 1.00 0.00 O ATOM 476 CB ALA A 412 15.711 4.819 -5.898 1.00 0.00 C ATOM 0 H ALA A 412 15.169 2.672 -7.001 1.00 0.00 H new ATOM 0 HA ALA A 412 13.878 4.157 -5.034 1.00 0.00 H new ATOM 0 HB1 ALA A 412 15.712 5.770 -5.366 1.00 0.00 H new ATOM 0 HB2 ALA A 412 16.303 4.092 -5.342 1.00 0.00 H new ATOM 0 HB3 ALA A 412 16.143 4.957 -6.889 1.00 0.00 H new ATOM 482 N GLY A 413 12.404 5.839 -6.041 1.00 0.00 N ATOM 483 CA GLY A 413 11.465 6.765 -6.638 1.00 0.00 C ATOM 484 C GLY A 413 10.036 6.450 -6.251 1.00 0.00 C ATOM 485 O GLY A 413 9.224 7.351 -6.049 1.00 0.00 O ATOM 0 H GLY A 413 12.216 5.609 -5.065 1.00 0.00 H new ATOM 0 HA2 GLY A 413 11.710 7.781 -6.327 1.00 0.00 H new ATOM 0 HA3 GLY A 413 11.563 6.732 -7.723 1.00 0.00 H new ATOM 489 N GLU A 414 9.723 5.160 -6.171 1.00 0.00 N ATOM 490 CA GLU A 414 8.375 4.710 -5.836 1.00 0.00 C ATOM 491 C GLU A 414 8.121 4.739 -4.325 1.00 0.00 C ATOM 492 O GLU A 414 8.624 5.606 -3.609 1.00 0.00 O ATOM 493 CB GLU A 414 8.148 3.291 -6.367 1.00 0.00 C ATOM 494 CG GLU A 414 8.139 3.195 -7.881 1.00 0.00 C ATOM 495 CD GLU A 414 7.049 4.030 -8.517 1.00 0.00 C ATOM 496 OE1 GLU A 414 5.869 3.857 -8.150 1.00 0.00 O ATOM 497 OE2 GLU A 414 7.366 4.851 -9.400 1.00 0.00 O ATOM 0 H GLU A 414 10.388 4.404 -6.334 1.00 0.00 H new ATOM 0 HA GLU A 414 7.674 5.399 -6.307 1.00 0.00 H new ATOM 0 HB2 GLU A 414 8.928 2.638 -5.976 1.00 0.00 H new ATOM 0 HB3 GLU A 414 7.198 2.918 -5.983 1.00 0.00 H new ATOM 0 HG2 GLU A 414 9.107 3.516 -8.266 1.00 0.00 H new ATOM 0 HG3 GLU A 414 8.009 2.153 -8.173 1.00 0.00 H new ATOM 504 N LYS A 415 7.331 3.783 -3.859 1.00 0.00 N ATOM 505 CA LYS A 415 6.970 3.667 -2.457 1.00 0.00 C ATOM 506 C LYS A 415 6.484 2.248 -2.207 1.00 0.00 C ATOM 507 O LYS A 415 5.809 1.673 -3.062 1.00 0.00 O ATOM 508 CB LYS A 415 5.857 4.663 -2.112 1.00 0.00 C ATOM 509 CG LYS A 415 5.568 4.793 -0.626 1.00 0.00 C ATOM 510 CD LYS A 415 6.576 5.696 0.067 1.00 0.00 C ATOM 511 CE LYS A 415 6.163 5.997 1.497 1.00 0.00 C ATOM 512 NZ LYS A 415 7.042 7.021 2.122 1.00 0.00 N ATOM 0 H LYS A 415 6.920 3.060 -4.450 1.00 0.00 H new ATOM 0 HA LYS A 415 7.835 3.888 -1.832 1.00 0.00 H new ATOM 0 HB2 LYS A 415 6.129 5.643 -2.504 1.00 0.00 H new ATOM 0 HB3 LYS A 415 4.943 4.359 -2.622 1.00 0.00 H new ATOM 0 HG2 LYS A 415 4.564 5.193 -0.484 1.00 0.00 H new ATOM 0 HG3 LYS A 415 5.586 3.806 -0.164 1.00 0.00 H new ATOM 0 HD2 LYS A 415 7.556 5.219 0.063 1.00 0.00 H new ATOM 0 HD3 LYS A 415 6.673 6.629 -0.489 1.00 0.00 H new ATOM 0 HE2 LYS A 415 5.131 6.347 1.511 1.00 0.00 H new ATOM 0 HE3 LYS A 415 6.197 5.080 2.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 6.728 7.199 3.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 8.023 6.677 2.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 6.990 7.904 1.575 1.00 0.00 H new ATOM 526 N ASN A 416 6.915 1.641 -1.112 1.00 0.00 N ATOM 527 CA ASN A 416 6.557 0.255 -0.843 1.00 0.00 C ATOM 528 C ASN A 416 5.075 0.132 -0.504 1.00 0.00 C ATOM 529 O ASN A 416 4.332 -0.556 -1.190 1.00 0.00 O ATOM 530 CB ASN A 416 7.398 -0.335 0.288 1.00 0.00 C ATOM 531 CG ASN A 416 8.830 -0.619 -0.123 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.583 0.292 -0.475 1.00 0.00 O ATOM 533 ND2 ASN A 416 9.219 -1.884 -0.077 1.00 0.00 N ATOM 0 H ASN A 416 7.505 2.078 -0.404 1.00 0.00 H new ATOM 0 HA ASN A 416 6.762 -0.311 -1.752 1.00 0.00 H new ATOM 0 HB2 ASN A 416 7.398 0.356 1.131 1.00 0.00 H new ATOM 0 HB3 ASN A 416 6.935 -1.259 0.633 1.00 0.00 H new ATOM 0 HD21 ASN A 416 10.173 -2.134 -0.338 1.00 0.00 H new ATOM 0 HD22 ASN A 416 8.565 -2.608 0.220 1.00 0.00 H new ATOM 540 N CYS A 417 4.612 0.856 0.494 1.00 0.00 N ATOM 541 CA CYS A 417 3.189 0.852 0.779 1.00 0.00 C ATOM 542 C CYS A 417 2.509 1.896 -0.079 1.00 0.00 C ATOM 543 O CYS A 417 2.853 3.074 -0.012 1.00 0.00 O ATOM 544 CB CYS A 417 2.906 1.111 2.251 1.00 0.00 C ATOM 545 SG CYS A 417 1.199 0.692 2.716 1.00 0.00 S ATOM 0 H CYS A 417 5.180 1.440 1.107 1.00 0.00 H new ATOM 0 HA CYS A 417 2.794 -0.137 0.545 1.00 0.00 H new ATOM 0 HB2 CYS A 417 3.598 0.528 2.859 1.00 0.00 H new ATOM 0 HB3 CYS A 417 3.093 2.161 2.474 1.00 0.00 H new ATOM 550 N GLN A 418 1.642 1.452 -0.976 1.00 0.00 N ATOM 551 CA GLN A 418 1.056 2.349 -1.954 1.00 0.00 C ATOM 552 C GLN A 418 -0.300 1.864 -2.442 1.00 0.00 C ATOM 553 O GLN A 418 -0.650 0.688 -2.305 1.00 0.00 O ATOM 554 CB GLN A 418 2.019 2.540 -3.133 1.00 0.00 C ATOM 555 CG GLN A 418 2.679 1.254 -3.617 1.00 0.00 C ATOM 556 CD GLN A 418 1.799 0.428 -4.532 1.00 0.00 C ATOM 557 OE1 GLN A 418 1.416 0.876 -5.611 1.00 0.00 O ATOM 558 NE2 GLN A 418 1.479 -0.784 -4.115 1.00 0.00 N ATOM 0 H GLN A 418 1.332 0.483 -1.045 1.00 0.00 H new ATOM 0 HA GLN A 418 0.891 3.308 -1.464 1.00 0.00 H new ATOM 0 HB2 GLN A 418 1.474 2.990 -3.963 1.00 0.00 H new ATOM 0 HB3 GLN A 418 2.796 3.246 -2.842 1.00 0.00 H new ATOM 0 HG2 GLN A 418 3.601 1.504 -4.142 1.00 0.00 H new ATOM 0 HG3 GLN A 418 2.958 0.651 -2.753 1.00 0.00 H new ATOM 0 HE21 GLN A 418 1.817 -1.119 -3.213 1.00 0.00 H new ATOM 0 HE22 GLN A 418 0.894 -1.385 -4.695 1.00 0.00 H new ATOM 567 N PHE A 419 -1.064 2.809 -2.974 1.00 0.00 N ATOM 568 CA PHE A 419 -2.395 2.554 -3.500 1.00 0.00 C ATOM 569 C PHE A 419 -2.315 1.621 -4.704 1.00 0.00 C ATOM 570 O PHE A 419 -1.500 1.837 -5.602 1.00 0.00 O ATOM 571 CB PHE A 419 -3.012 3.888 -3.918 1.00 0.00 C ATOM 572 CG PHE A 419 -4.510 3.894 -3.963 1.00 0.00 C ATOM 573 CD1 PHE A 419 -5.243 3.650 -2.819 1.00 0.00 C ATOM 574 CD2 PHE A 419 -5.179 4.166 -5.144 1.00 0.00 C ATOM 575 CE1 PHE A 419 -6.621 3.675 -2.848 1.00 0.00 C ATOM 576 CE2 PHE A 419 -6.558 4.198 -5.180 1.00 0.00 C ATOM 577 CZ PHE A 419 -7.281 3.949 -4.031 1.00 0.00 C ATOM 0 H PHE A 419 -0.773 3.783 -3.052 1.00 0.00 H new ATOM 0 HA PHE A 419 -3.010 2.078 -2.736 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -2.679 4.661 -3.225 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -2.631 4.157 -4.903 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -4.732 3.437 -1.892 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -4.616 4.355 -6.046 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.184 3.481 -1.947 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -7.070 4.417 -6.105 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.361 3.968 -4.056 1.00 0.00 H new ATOM 587 N ASN A 420 -3.166 0.604 -4.744 1.00 0.00 N ATOM 588 CA ASN A 420 -3.171 -0.307 -5.883 1.00 0.00 C ATOM 589 C ASN A 420 -4.090 0.207 -6.984 1.00 0.00 C ATOM 590 O ASN A 420 -3.839 -0.027 -8.167 1.00 0.00 O ATOM 591 CB ASN A 420 -3.540 -1.749 -5.488 1.00 0.00 C ATOM 592 CG ASN A 420 -4.892 -1.909 -4.807 1.00 0.00 C ATOM 593 OD1 ASN A 420 -5.898 -1.334 -5.219 1.00 0.00 O ATOM 594 ND2 ASN A 420 -4.934 -2.755 -3.791 1.00 0.00 N ATOM 0 H ASN A 420 -3.849 0.391 -4.017 1.00 0.00 H new ATOM 0 HA ASN A 420 -2.151 -0.338 -6.266 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -3.527 -2.369 -6.385 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -2.768 -2.135 -4.822 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -5.820 -2.947 -3.324 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -4.080 -3.215 -3.475 1.00 0.00 H new ATOM 601 N SER A 421 -5.154 0.896 -6.574 1.00 0.00 N ATOM 602 CA SER A 421 -6.147 1.445 -7.491 1.00 0.00 C ATOM 603 C SER A 421 -6.943 0.327 -8.165 1.00 0.00 C ATOM 604 O SER A 421 -6.409 -0.443 -8.966 1.00 0.00 O ATOM 605 CB SER A 421 -5.477 2.345 -8.539 1.00 0.00 C ATOM 606 OG SER A 421 -6.435 3.003 -9.354 1.00 0.00 O ATOM 0 H SER A 421 -5.351 1.089 -5.592 1.00 0.00 H new ATOM 0 HA SER A 421 -6.843 2.053 -6.914 1.00 0.00 H new ATOM 0 HB2 SER A 421 -4.855 3.086 -8.038 1.00 0.00 H new ATOM 0 HB3 SER A 421 -4.817 1.745 -9.165 1.00 0.00 H new ATOM 0 HG SER A 421 -5.974 3.569 -10.009 1.00 0.00 H new ATOM 612 N THR A 422 -8.244 0.309 -7.888 1.00 0.00 N ATOM 613 CA THR A 422 -9.186 -0.640 -8.491 1.00 0.00 C ATOM 614 C THR A 422 -8.692 -2.089 -8.424 1.00 0.00 C ATOM 615 O THR A 422 -8.863 -2.859 -9.375 1.00 0.00 O ATOM 616 CB THR A 422 -9.521 -0.265 -9.956 1.00 0.00 C ATOM 617 OG1 THR A 422 -8.321 -0.106 -10.729 1.00 0.00 O ATOM 618 CG2 THR A 422 -10.329 1.020 -10.009 1.00 0.00 C ATOM 0 H THR A 422 -8.682 0.957 -7.233 1.00 0.00 H new ATOM 0 HA THR A 422 -10.096 -0.571 -7.894 1.00 0.00 H new ATOM 0 HB THR A 422 -10.112 -1.077 -10.380 1.00 0.00 H new ATOM 0 HG1 THR A 422 -7.578 -0.558 -10.277 1.00 0.00 H new ATOM 0 HG21 THR A 422 -10.554 1.266 -11.047 1.00 0.00 H new ATOM 0 HG22 THR A 422 -11.260 0.887 -9.458 1.00 0.00 H new ATOM 0 HG23 THR A 422 -9.754 1.830 -9.561 1.00 0.00 H new ATOM 626 N LYS A 423 -8.148 -2.479 -7.278 1.00 0.00 N ATOM 627 CA LYS A 423 -7.683 -3.844 -7.090 1.00 0.00 C ATOM 628 C LYS A 423 -8.057 -4.348 -5.696 1.00 0.00 C ATOM 629 O LYS A 423 -7.412 -5.240 -5.139 1.00 0.00 O ATOM 630 CB LYS A 423 -6.169 -3.915 -7.296 1.00 0.00 C ATOM 631 CG LYS A 423 -5.646 -5.322 -7.535 1.00 0.00 C ATOM 632 CD LYS A 423 -4.137 -5.335 -7.684 1.00 0.00 C ATOM 633 CE LYS A 423 -3.620 -6.736 -7.965 1.00 0.00 C ATOM 634 NZ LYS A 423 -2.139 -6.770 -8.081 1.00 0.00 N ATOM 0 H LYS A 423 -8.019 -1.871 -6.469 1.00 0.00 H new ATOM 0 HA LYS A 423 -8.167 -4.484 -7.827 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -5.898 -3.288 -8.145 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -5.673 -3.497 -6.420 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -5.936 -5.965 -6.704 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -6.105 -5.734 -8.433 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -3.844 -4.668 -8.495 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -3.677 -4.951 -6.774 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -3.937 -7.406 -7.166 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -4.065 -7.108 -8.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -1.828 -7.744 -8.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -1.837 -6.151 -8.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -1.713 -6.440 -7.191 1.00 0.00 H new ATOM 648 N ALA A 424 -9.155 -3.828 -5.175 1.00 0.00 N ATOM 649 CA ALA A 424 -9.692 -4.287 -3.903 1.00 0.00 C ATOM 650 C ALA A 424 -10.837 -5.269 -4.141 1.00 0.00 C ATOM 651 O ALA A 424 -11.886 -5.198 -3.495 1.00 0.00 O ATOM 652 CB ALA A 424 -10.158 -3.105 -3.066 1.00 0.00 C ATOM 0 H ALA A 424 -9.696 -3.083 -5.615 1.00 0.00 H new ATOM 0 HA ALA A 424 -8.904 -4.802 -3.353 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -10.557 -3.465 -2.118 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -9.316 -2.439 -2.876 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -10.935 -2.562 -3.604 1.00 0.00 H new ATOM 658 N SER A 425 -10.646 -6.150 -5.111 1.00 0.00 N ATOM 659 CA SER A 425 -11.665 -7.113 -5.491 1.00 0.00 C ATOM 660 C SER A 425 -11.816 -8.200 -4.427 1.00 0.00 C ATOM 661 O SER A 425 -12.938 -8.537 -4.027 1.00 0.00 O ATOM 662 CB SER A 425 -11.301 -7.732 -6.841 1.00 0.00 C ATOM 663 OG SER A 425 -11.061 -6.720 -7.809 1.00 0.00 O ATOM 0 H SER A 425 -9.785 -6.217 -5.654 1.00 0.00 H new ATOM 0 HA SER A 425 -12.622 -6.598 -5.576 1.00 0.00 H new ATOM 0 HB2 SER A 425 -10.414 -8.357 -6.733 1.00 0.00 H new ATOM 0 HB3 SER A 425 -12.109 -8.381 -7.179 1.00 0.00 H new ATOM 0 HG SER A 425 -10.828 -7.135 -8.666 1.00 0.00 H new ATOM 669 N LYS A 426 -10.685 -8.744 -3.977 1.00 0.00 N ATOM 670 CA LYS A 426 -10.672 -9.806 -2.971 1.00 0.00 C ATOM 671 C LYS A 426 -11.476 -11.016 -3.447 1.00 0.00 C ATOM 672 O LYS A 426 -11.123 -11.657 -4.439 1.00 0.00 O ATOM 673 CB LYS A 426 -11.217 -9.305 -1.626 1.00 0.00 C ATOM 674 CG LYS A 426 -10.419 -8.162 -1.026 1.00 0.00 C ATOM 675 CD LYS A 426 -10.948 -7.749 0.343 1.00 0.00 C ATOM 676 CE LYS A 426 -10.527 -8.714 1.449 1.00 0.00 C ATOM 677 NZ LYS A 426 -11.317 -9.974 1.449 1.00 0.00 N ATOM 0 H LYS A 426 -9.758 -8.463 -4.297 1.00 0.00 H new ATOM 0 HA LYS A 426 -9.635 -10.110 -2.828 1.00 0.00 H new ATOM 0 HB2 LYS A 426 -12.249 -8.983 -1.761 1.00 0.00 H new ATOM 0 HB3 LYS A 426 -11.232 -10.135 -0.919 1.00 0.00 H new ATOM 0 HG2 LYS A 426 -9.374 -8.458 -0.936 1.00 0.00 H new ATOM 0 HG3 LYS A 426 -10.451 -7.306 -1.700 1.00 0.00 H new ATOM 0 HD2 LYS A 426 -10.587 -6.749 0.582 1.00 0.00 H new ATOM 0 HD3 LYS A 426 -12.036 -7.695 0.307 1.00 0.00 H new ATOM 0 HE2 LYS A 426 -9.470 -8.954 1.332 1.00 0.00 H new ATOM 0 HE3 LYS A 426 -10.637 -8.222 2.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 -11.557 -10.233 2.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 -12.191 -9.836 0.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 -10.756 -10.736 1.017 1.00 0.00 H new ATOM 691 N SER A 427 -12.566 -11.304 -2.756 1.00 0.00 N ATOM 692 CA SER A 427 -13.427 -12.418 -3.103 1.00 0.00 C ATOM 693 C SER A 427 -14.796 -12.233 -2.461 1.00 0.00 C ATOM 694 O SER A 427 -14.950 -11.268 -1.679 1.00 0.00 O ATOM 695 CB SER A 427 -12.781 -13.734 -2.655 1.00 0.00 C ATOM 696 OG SER A 427 -12.005 -13.548 -1.478 1.00 0.00 O ATOM 697 OXT SER A 427 -15.713 -13.026 -2.750 1.00 0.00 O ATOM 0 H SER A 427 -12.877 -10.774 -1.942 1.00 0.00 H new ATOM 0 HA SER A 427 -13.559 -12.453 -4.184 1.00 0.00 H new ATOM 0 HB2 SER A 427 -13.555 -14.478 -2.470 1.00 0.00 H new ATOM 0 HB3 SER A 427 -12.149 -14.123 -3.453 1.00 0.00 H new ATOM 0 HG SER A 427 -11.605 -14.402 -1.212 1.00 0.00 H new TER 703 SER A 427