USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 688 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 376 THR OG1 : rot 180:sc= 0 USER MOD Single : A 379 SER OG : rot 165:sc= -8.47! USER MOD Single : A 381 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 382 LYS NZ :NH3+ -141:sc= 0.571 (180deg=-2.41) USER MOD Single : A 385 HIS : no HD1:sc= -0.493 X(o=-0.49,f=-0.0086) USER MOD Single : A 389 LYS NZ :NH3+ 152:sc= 1.37 (180deg=1.3) USER MOD Single : A 391 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 392 TYR OH : rot 178:sc= -0.337 USER MOD Single : A 395 GLN : amide:sc= -0.0955 X(o=-0.095,f=-0.24) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 404 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 405 THR OG1 : rot 180:sc= 0 USER MOD Single : A 407 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 409 TYR OH : rot 81:sc= 0.268 USER MOD Single : A 415 MET CE :methyl -150:sc= -0.207 (180deg=-0.93) USER MOD Single : A 417 THR OG1 : rot -17:sc= 0.699 USER MOD Single : A 418 LYS NZ :NH3+ 154:sc= -0.281 (180deg=-0.776) USER MOD Single : A 425 SER OG : rot 180:sc= 0 USER MOD Single : A 428 THR OG1 : rot -54:sc= 1.17 USER MOD Single : A 431 GLN : amide:sc= -2.07 X(o=-2.1,f=-1.8) USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 436 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.55) USER MOD Single : A 439 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.296) USER MOD Single : A 443 CYS SG : rot 75:sc= 0.0255 USER MOD Single : A 444 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 446 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 451 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 454 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 455 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 376 1.057 23.819 4.081 1.00 0.00 N ATOM 2 CA THR A 376 1.202 22.630 3.245 1.00 0.00 C ATOM 3 C THR A 376 -0.154 22.172 2.707 1.00 0.00 C ATOM 4 O THR A 376 -1.151 22.172 3.430 1.00 0.00 O ATOM 5 CB THR A 376 1.863 21.492 4.034 1.00 0.00 C ATOM 6 OG1 THR A 376 0.904 20.778 4.791 1.00 0.00 O ATOM 7 CG2 THR A 376 2.940 21.968 4.987 1.00 0.00 C ATOM 0 HA THR A 376 1.840 22.891 2.401 1.00 0.00 H new ATOM 0 HB THR A 376 2.324 20.853 3.281 1.00 0.00 H new ATOM 0 HG1 THR A 376 1.348 20.057 5.284 1.00 0.00 H new ATOM 0 HG21 THR A 376 3.365 21.113 5.512 1.00 0.00 H new ATOM 0 HG22 THR A 376 3.724 22.476 4.425 1.00 0.00 H new ATOM 0 HG23 THR A 376 2.507 22.659 5.710 1.00 0.00 H new ATOM 15 N PRO A 377 -0.211 21.771 1.423 1.00 0.00 N ATOM 16 CA PRO A 377 -1.454 21.309 0.794 1.00 0.00 C ATOM 17 C PRO A 377 -1.900 19.951 1.326 1.00 0.00 C ATOM 18 O PRO A 377 -1.176 19.304 2.081 1.00 0.00 O ATOM 19 CB PRO A 377 -1.085 21.207 -0.687 1.00 0.00 C ATOM 20 CG PRO A 377 0.388 20.983 -0.696 1.00 0.00 C ATOM 21 CD PRO A 377 0.929 21.736 0.486 1.00 0.00 C ATOM 0 HA PRO A 377 -2.288 21.982 0.994 1.00 0.00 H new ATOM 0 HB2 PRO A 377 -1.613 20.386 -1.171 1.00 0.00 H new ATOM 0 HB3 PRO A 377 -1.350 22.117 -1.225 1.00 0.00 H new ATOM 0 HG2 PRO A 377 0.622 19.921 -0.622 1.00 0.00 H new ATOM 0 HG3 PRO A 377 0.832 21.343 -1.624 1.00 0.00 H new ATOM 0 HD2 PRO A 377 1.792 21.232 0.922 1.00 0.00 H new ATOM 0 HD3 PRO A 377 1.252 22.740 0.209 1.00 0.00 H new ATOM 29 N PRO A 378 -3.106 19.497 0.938 1.00 0.00 N ATOM 30 CA PRO A 378 -3.644 18.205 1.381 1.00 0.00 C ATOM 31 C PRO A 378 -2.828 17.030 0.855 1.00 0.00 C ATOM 32 O PRO A 378 -3.282 16.278 -0.009 1.00 0.00 O ATOM 33 CB PRO A 378 -5.060 18.181 0.797 1.00 0.00 C ATOM 34 CG PRO A 378 -5.018 19.133 -0.349 1.00 0.00 C ATOM 35 CD PRO A 378 -4.038 20.202 0.039 1.00 0.00 C ATOM 0 HA PRO A 378 -3.620 18.106 2.466 1.00 0.00 H new ATOM 0 HB2 PRO A 378 -5.335 17.179 0.468 1.00 0.00 H new ATOM 0 HB3 PRO A 378 -5.798 18.487 1.538 1.00 0.00 H new ATOM 0 HG2 PRO A 378 -4.705 18.630 -1.264 1.00 0.00 H new ATOM 0 HG3 PRO A 378 -6.004 19.558 -0.540 1.00 0.00 H new ATOM 0 HD2 PRO A 378 -3.525 20.612 -0.831 1.00 0.00 H new ATOM 0 HD3 PRO A 378 -4.529 21.035 0.542 1.00 0.00 H new ATOM 43 N SER A 379 -1.617 16.880 1.381 1.00 0.00 N ATOM 44 CA SER A 379 -0.730 15.802 0.968 1.00 0.00 C ATOM 45 C SER A 379 -0.701 14.686 2.009 1.00 0.00 C ATOM 46 O SER A 379 -0.474 13.523 1.678 1.00 0.00 O ATOM 47 CB SER A 379 0.683 16.343 0.742 1.00 0.00 C ATOM 48 OG SER A 379 1.551 15.329 0.270 1.00 0.00 O ATOM 0 H SER A 379 -1.228 17.494 2.096 1.00 0.00 H new ATOM 0 HA SER A 379 -1.111 15.388 0.034 1.00 0.00 H new ATOM 0 HB2 SER A 379 0.651 17.161 0.023 1.00 0.00 H new ATOM 0 HB3 SER A 379 1.072 16.753 1.674 1.00 0.00 H new ATOM 0 HG SER A 379 2.365 15.737 -0.092 1.00 0.00 H new ATOM 54 N ILE A 380 -0.929 15.049 3.267 1.00 0.00 N ATOM 55 CA ILE A 380 -0.924 14.081 4.356 1.00 0.00 C ATOM 56 C ILE A 380 -2.147 13.166 4.295 1.00 0.00 C ATOM 57 O ILE A 380 -2.113 12.039 4.787 1.00 0.00 O ATOM 58 CB ILE A 380 -0.883 14.781 5.730 1.00 0.00 C ATOM 59 CG1 ILE A 380 -0.728 13.750 6.850 1.00 0.00 C ATOM 60 CG2 ILE A 380 -2.134 15.621 5.940 1.00 0.00 C ATOM 61 CD1 ILE A 380 -0.020 14.288 8.074 1.00 0.00 C ATOM 0 H ILE A 380 -1.120 16.008 3.557 1.00 0.00 H new ATOM 0 HA ILE A 380 -0.023 13.479 4.236 1.00 0.00 H new ATOM 0 HB ILE A 380 -0.019 15.446 5.754 1.00 0.00 H new ATOM 0 HG12 ILE A 380 -1.715 13.390 7.140 1.00 0.00 H new ATOM 0 HG13 ILE A 380 -0.175 12.892 6.468 1.00 0.00 H new ATOM 0 HG21 ILE A 380 -2.087 16.107 6.915 1.00 0.00 H new ATOM 0 HG22 ILE A 380 -2.199 16.379 5.159 1.00 0.00 H new ATOM 0 HG23 ILE A 380 -3.014 14.980 5.897 1.00 0.00 H new ATOM 0 HD11 ILE A 380 0.054 13.503 8.826 1.00 0.00 H new ATOM 0 HD12 ILE A 380 0.980 14.622 7.798 1.00 0.00 H new ATOM 0 HD13 ILE A 380 -0.584 15.128 8.481 1.00 0.00 H new ATOM 73 N LYS A 381 -3.224 13.656 3.692 1.00 0.00 N ATOM 74 CA LYS A 381 -4.450 12.875 3.574 1.00 0.00 C ATOM 75 C LYS A 381 -4.233 11.643 2.699 1.00 0.00 C ATOM 76 O LYS A 381 -4.779 10.572 2.967 1.00 0.00 O ATOM 77 CB LYS A 381 -5.574 13.736 2.994 1.00 0.00 C ATOM 78 CG LYS A 381 -6.426 14.418 4.051 1.00 0.00 C ATOM 79 CD LYS A 381 -7.657 13.591 4.392 1.00 0.00 C ATOM 80 CE LYS A 381 -8.079 13.795 5.838 1.00 0.00 C ATOM 81 NZ LYS A 381 -9.517 13.470 6.047 1.00 0.00 N ATOM 0 H LYS A 381 -3.274 14.587 3.278 1.00 0.00 H new ATOM 0 HA LYS A 381 -4.734 12.541 4.572 1.00 0.00 H new ATOM 0 HB2 LYS A 381 -5.140 14.496 2.344 1.00 0.00 H new ATOM 0 HB3 LYS A 381 -6.214 13.111 2.371 1.00 0.00 H new ATOM 0 HG2 LYS A 381 -5.833 14.578 4.951 1.00 0.00 H new ATOM 0 HG3 LYS A 381 -6.734 15.401 3.694 1.00 0.00 H new ATOM 0 HD2 LYS A 381 -8.477 13.867 3.730 1.00 0.00 H new ATOM 0 HD3 LYS A 381 -7.448 12.536 4.218 1.00 0.00 H new ATOM 0 HE2 LYS A 381 -7.467 13.168 6.487 1.00 0.00 H new ATOM 0 HE3 LYS A 381 -7.895 14.829 6.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 -9.766 13.622 7.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 -10.103 14.085 5.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 -9.688 12.476 5.795 1.00 0.00 H new ATOM 95 N LYS A 382 -3.433 11.807 1.651 1.00 0.00 N ATOM 96 CA LYS A 382 -3.147 10.712 0.732 1.00 0.00 C ATOM 97 C LYS A 382 -2.271 9.649 1.387 1.00 0.00 C ATOM 98 O LYS A 382 -2.588 8.459 1.341 1.00 0.00 O ATOM 99 CB LYS A 382 -2.464 11.248 -0.528 1.00 0.00 C ATOM 100 CG LYS A 382 -2.940 10.580 -1.810 1.00 0.00 C ATOM 101 CD LYS A 382 -3.175 11.597 -2.918 1.00 0.00 C ATOM 102 CE LYS A 382 -4.496 11.351 -3.629 1.00 0.00 C ATOM 103 NZ LYS A 382 -4.376 10.301 -4.679 1.00 0.00 N ATOM 0 H LYS A 382 -2.972 12.686 1.417 1.00 0.00 H new ATOM 0 HA LYS A 382 -4.095 10.247 0.460 1.00 0.00 H new ATOM 0 HB2 LYS A 382 -2.642 12.321 -0.599 1.00 0.00 H new ATOM 0 HB3 LYS A 382 -1.387 11.109 -0.434 1.00 0.00 H new ATOM 0 HG2 LYS A 382 -2.200 9.850 -2.137 1.00 0.00 H new ATOM 0 HG3 LYS A 382 -3.863 10.034 -1.615 1.00 0.00 H new ATOM 0 HD2 LYS A 382 -3.169 12.603 -2.498 1.00 0.00 H new ATOM 0 HD3 LYS A 382 -2.358 11.547 -3.638 1.00 0.00 H new ATOM 0 HE2 LYS A 382 -5.250 11.051 -2.901 1.00 0.00 H new ATOM 0 HE3 LYS A 382 -4.842 12.280 -4.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 382 -4.943 10.572 -5.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 382 -3.379 10.202 -4.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 382 -4.722 9.394 -4.305 1.00 0.00 H new ATOM 117 N ILE A 383 -1.164 10.076 1.991 1.00 0.00 N ATOM 118 CA ILE A 383 -0.251 9.144 2.641 1.00 0.00 C ATOM 119 C ILE A 383 -0.922 8.424 3.809 1.00 0.00 C ATOM 120 O ILE A 383 -0.678 7.237 4.036 1.00 0.00 O ATOM 121 CB ILE A 383 1.034 9.846 3.133 1.00 0.00 C ATOM 122 CG1 ILE A 383 0.702 10.969 4.118 1.00 0.00 C ATOM 123 CG2 ILE A 383 1.823 10.389 1.949 1.00 0.00 C ATOM 124 CD1 ILE A 383 1.325 10.780 5.483 1.00 0.00 C ATOM 0 H ILE A 383 -0.881 11.054 2.043 1.00 0.00 H new ATOM 0 HA ILE A 383 0.026 8.407 1.887 1.00 0.00 H new ATOM 0 HB ILE A 383 1.647 9.111 3.655 1.00 0.00 H new ATOM 0 HG12 ILE A 383 1.040 11.918 3.702 1.00 0.00 H new ATOM 0 HG13 ILE A 383 -0.380 11.037 4.228 1.00 0.00 H new ATOM 0 HG21 ILE A 383 2.726 10.881 2.309 1.00 0.00 H new ATOM 0 HG22 ILE A 383 2.097 9.568 1.287 1.00 0.00 H new ATOM 0 HG23 ILE A 383 1.211 11.107 1.403 1.00 0.00 H new ATOM 0 HD11 ILE A 383 1.047 11.613 6.128 1.00 0.00 H new ATOM 0 HD12 ILE A 383 0.968 9.848 5.920 1.00 0.00 H new ATOM 0 HD13 ILE A 383 2.410 10.743 5.386 1.00 0.00 H new ATOM 136 N ILE A 384 -1.782 9.129 4.542 1.00 0.00 N ATOM 137 CA ILE A 384 -2.483 8.519 5.667 1.00 0.00 C ATOM 138 C ILE A 384 -3.538 7.539 5.163 1.00 0.00 C ATOM 139 O ILE A 384 -3.694 6.443 5.706 1.00 0.00 O ATOM 140 CB ILE A 384 -3.148 9.569 6.583 1.00 0.00 C ATOM 141 CG1 ILE A 384 -4.285 10.290 5.852 1.00 0.00 C ATOM 142 CG2 ILE A 384 -2.112 10.567 7.078 1.00 0.00 C ATOM 143 CD1 ILE A 384 -4.990 11.322 6.704 1.00 0.00 C ATOM 0 H ILE A 384 -2.007 10.110 4.379 1.00 0.00 H new ATOM 0 HA ILE A 384 -1.736 7.989 6.258 1.00 0.00 H new ATOM 0 HB ILE A 384 -3.575 9.053 7.443 1.00 0.00 H new ATOM 0 HG12 ILE A 384 -3.884 10.777 4.963 1.00 0.00 H new ATOM 0 HG13 ILE A 384 -5.012 9.553 5.511 1.00 0.00 H new ATOM 0 HG21 ILE A 384 -2.594 11.302 7.723 1.00 0.00 H new ATOM 0 HG22 ILE A 384 -1.340 10.041 7.640 1.00 0.00 H new ATOM 0 HG23 ILE A 384 -1.659 11.074 6.226 1.00 0.00 H new ATOM 0 HD11 ILE A 384 -5.783 11.793 6.123 1.00 0.00 H new ATOM 0 HD12 ILE A 384 -5.421 10.838 7.580 1.00 0.00 H new ATOM 0 HD13 ILE A 384 -4.275 12.080 7.023 1.00 0.00 H new ATOM 155 N HIS A 385 -4.246 7.935 4.107 1.00 0.00 N ATOM 156 CA HIS A 385 -5.272 7.085 3.518 1.00 0.00 C ATOM 157 C HIS A 385 -4.662 5.757 3.083 1.00 0.00 C ATOM 158 O HIS A 385 -5.190 4.688 3.390 1.00 0.00 O ATOM 159 CB HIS A 385 -5.922 7.781 2.321 1.00 0.00 C ATOM 160 CG HIS A 385 -7.153 8.556 2.678 1.00 0.00 C ATOM 161 ND1 HIS A 385 -8.320 8.496 1.943 1.00 0.00 N ATOM 162 CD2 HIS A 385 -7.397 9.413 3.698 1.00 0.00 C ATOM 163 CE1 HIS A 385 -9.227 9.282 2.496 1.00 0.00 C ATOM 164 NE2 HIS A 385 -8.692 9.849 3.561 1.00 0.00 N ATOM 0 H HIS A 385 -4.127 8.836 3.645 1.00 0.00 H new ATOM 0 HA HIS A 385 -6.040 6.896 4.268 1.00 0.00 H new ATOM 0 HB2 HIS A 385 -5.197 8.455 1.865 1.00 0.00 H new ATOM 0 HB3 HIS A 385 -6.178 7.033 1.571 1.00 0.00 H new ATOM 0 HD2 HIS A 385 -6.703 9.700 4.474 1.00 0.00 H new ATOM 0 HE1 HIS A 385 -10.234 9.434 2.138 1.00 0.00 H new ATOM 0 HE2 HIS A 385 -9.164 10.506 4.182 1.00 0.00 H new ATOM 173 N VAL A 386 -3.536 5.836 2.378 1.00 0.00 N ATOM 174 CA VAL A 386 -2.846 4.639 1.919 1.00 0.00 C ATOM 175 C VAL A 386 -2.311 3.849 3.105 1.00 0.00 C ATOM 176 O VAL A 386 -2.351 2.619 3.111 1.00 0.00 O ATOM 177 CB VAL A 386 -1.682 4.981 0.966 1.00 0.00 C ATOM 178 CG1 VAL A 386 -0.681 5.897 1.651 1.00 0.00 C ATOM 179 CG2 VAL A 386 -1.005 3.709 0.469 1.00 0.00 C ATOM 0 H VAL A 386 -3.086 6.713 2.115 1.00 0.00 H new ATOM 0 HA VAL A 386 -3.571 4.037 1.372 1.00 0.00 H new ATOM 0 HB VAL A 386 -2.087 5.509 0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 386 0.132 6.127 0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 386 -1.177 6.821 1.948 1.00 0.00 H new ATOM 0 HG13 VAL A 386 -0.279 5.401 2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 386 -0.187 3.971 -0.202 1.00 0.00 H new ATOM 0 HG22 VAL A 386 -0.613 3.150 1.319 1.00 0.00 H new ATOM 0 HG23 VAL A 386 -1.730 3.096 -0.066 1.00 0.00 H new ATOM 189 N LEU A 387 -1.820 4.562 4.116 1.00 0.00 N ATOM 190 CA LEU A 387 -1.292 3.919 5.315 1.00 0.00 C ATOM 191 C LEU A 387 -2.320 2.952 5.890 1.00 0.00 C ATOM 192 O LEU A 387 -2.054 1.758 6.037 1.00 0.00 O ATOM 193 CB LEU A 387 -0.914 4.968 6.361 1.00 0.00 C ATOM 194 CG LEU A 387 0.511 5.511 6.250 1.00 0.00 C ATOM 195 CD1 LEU A 387 0.734 6.636 7.248 1.00 0.00 C ATOM 196 CD2 LEU A 387 1.523 4.395 6.467 1.00 0.00 C ATOM 0 H LEU A 387 -1.777 5.581 4.129 1.00 0.00 H new ATOM 0 HA LEU A 387 -0.396 3.360 5.043 1.00 0.00 H new ATOM 0 HB2 LEU A 387 -1.611 5.802 6.284 1.00 0.00 H new ATOM 0 HB3 LEU A 387 -1.044 4.534 7.352 1.00 0.00 H new ATOM 0 HG LEU A 387 0.650 5.912 5.246 1.00 0.00 H new ATOM 0 HD11 LEU A 387 1.754 7.009 7.154 1.00 0.00 H new ATOM 0 HD12 LEU A 387 0.031 7.445 7.047 1.00 0.00 H new ATOM 0 HD13 LEU A 387 0.577 6.262 8.260 1.00 0.00 H new ATOM 0 HD21 LEU A 387 2.532 4.798 6.385 1.00 0.00 H new ATOM 0 HD22 LEU A 387 1.384 3.965 7.459 1.00 0.00 H new ATOM 0 HD23 LEU A 387 1.379 3.621 5.713 1.00 0.00 H new ATOM 208 N GLU A 388 -3.505 3.475 6.197 1.00 0.00 N ATOM 209 CA GLU A 388 -4.579 2.652 6.737 1.00 0.00 C ATOM 210 C GLU A 388 -4.957 1.564 5.737 1.00 0.00 C ATOM 211 O GLU A 388 -5.156 0.405 6.107 1.00 0.00 O ATOM 212 CB GLU A 388 -5.802 3.515 7.061 1.00 0.00 C ATOM 213 CG GLU A 388 -6.297 4.336 5.882 1.00 0.00 C ATOM 214 CD GLU A 388 -7.543 5.134 6.212 1.00 0.00 C ATOM 215 OE1 GLU A 388 -7.511 5.910 7.190 1.00 0.00 O ATOM 216 OE2 GLU A 388 -8.552 4.984 5.489 1.00 0.00 O ATOM 0 H GLU A 388 -3.743 4.460 6.081 1.00 0.00 H new ATOM 0 HA GLU A 388 -4.230 2.183 7.657 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -6.609 2.870 7.409 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -5.555 4.187 7.883 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.508 5.016 5.561 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.506 3.672 5.043 1.00 0.00 H new ATOM 223 N LYS A 389 -5.039 1.946 4.465 1.00 0.00 N ATOM 224 CA LYS A 389 -5.376 1.006 3.404 1.00 0.00 C ATOM 225 C LYS A 389 -4.388 -0.154 3.394 1.00 0.00 C ATOM 226 O LYS A 389 -4.780 -1.318 3.310 1.00 0.00 O ATOM 227 CB LYS A 389 -5.373 1.713 2.046 1.00 0.00 C ATOM 228 CG LYS A 389 -6.630 1.464 1.226 1.00 0.00 C ATOM 229 CD LYS A 389 -6.917 -0.024 1.082 1.00 0.00 C ATOM 230 CE LYS A 389 -8.123 -0.442 1.911 1.00 0.00 C ATOM 231 NZ LYS A 389 -9.343 -0.609 1.075 1.00 0.00 N ATOM 0 H LYS A 389 -4.876 2.901 4.146 1.00 0.00 H new ATOM 0 HA LYS A 389 -6.376 0.614 3.591 1.00 0.00 H new ATOM 0 HB2 LYS A 389 -5.259 2.785 2.205 1.00 0.00 H new ATOM 0 HB3 LYS A 389 -4.506 1.382 1.475 1.00 0.00 H new ATOM 0 HG2 LYS A 389 -7.479 1.955 1.702 1.00 0.00 H new ATOM 0 HG3 LYS A 389 -6.516 1.911 0.238 1.00 0.00 H new ATOM 0 HD2 LYS A 389 -7.095 -0.261 0.033 1.00 0.00 H new ATOM 0 HD3 LYS A 389 -6.043 -0.596 1.394 1.00 0.00 H new ATOM 0 HE2 LYS A 389 -7.904 -1.379 2.424 1.00 0.00 H new ATOM 0 HE3 LYS A 389 -8.311 0.306 2.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 -9.974 -1.308 1.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 -9.837 0.303 0.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 -9.072 -0.939 0.127 1.00 0.00 H new ATOM 245 N VAL A 390 -3.103 0.173 3.494 1.00 0.00 N ATOM 246 CA VAL A 390 -2.057 -0.839 3.513 1.00 0.00 C ATOM 247 C VAL A 390 -2.223 -1.745 4.725 1.00 0.00 C ATOM 248 O VAL A 390 -2.062 -2.961 4.628 1.00 0.00 O ATOM 249 CB VAL A 390 -0.651 -0.203 3.536 1.00 0.00 C ATOM 250 CG1 VAL A 390 0.427 -1.276 3.569 1.00 0.00 C ATOM 251 CG2 VAL A 390 -0.462 0.711 2.333 1.00 0.00 C ATOM 0 H VAL A 390 -2.763 1.132 3.563 1.00 0.00 H new ATOM 0 HA VAL A 390 -2.152 -1.426 2.599 1.00 0.00 H new ATOM 0 HB VAL A 390 -0.560 0.395 4.443 1.00 0.00 H new ATOM 0 HG11 VAL A 390 1.410 -0.804 3.585 1.00 0.00 H new ATOM 0 HG12 VAL A 390 0.304 -1.888 4.463 1.00 0.00 H new ATOM 0 HG13 VAL A 390 0.341 -1.906 2.683 1.00 0.00 H new ATOM 0 HG21 VAL A 390 0.534 1.152 2.364 1.00 0.00 H new ATOM 0 HG22 VAL A 390 -0.575 0.133 1.416 1.00 0.00 H new ATOM 0 HG23 VAL A 390 -1.210 1.503 2.357 1.00 0.00 H new ATOM 261 N GLN A 391 -2.563 -1.147 5.865 1.00 0.00 N ATOM 262 CA GLN A 391 -2.770 -1.909 7.090 1.00 0.00 C ATOM 263 C GLN A 391 -3.810 -2.999 6.856 1.00 0.00 C ATOM 264 O GLN A 391 -3.559 -4.182 7.105 1.00 0.00 O ATOM 265 CB GLN A 391 -3.222 -0.987 8.225 1.00 0.00 C ATOM 266 CG GLN A 391 -2.074 -0.435 9.053 1.00 0.00 C ATOM 267 CD GLN A 391 -2.527 0.608 10.057 1.00 0.00 C ATOM 268 OE1 GLN A 391 -3.113 0.279 11.088 1.00 0.00 O ATOM 269 NE2 GLN A 391 -2.257 1.873 9.758 1.00 0.00 N ATOM 0 H GLN A 391 -2.700 -0.141 5.964 1.00 0.00 H new ATOM 0 HA GLN A 391 -1.826 -2.373 7.375 1.00 0.00 H new ATOM 0 HB2 GLN A 391 -3.788 -0.156 7.804 1.00 0.00 H new ATOM 0 HB3 GLN A 391 -3.900 -1.535 8.879 1.00 0.00 H new ATOM 0 HG2 GLN A 391 -1.585 -1.254 9.581 1.00 0.00 H new ATOM 0 HG3 GLN A 391 -1.330 0.005 8.388 1.00 0.00 H new ATOM 0 HE21 GLN A 391 -1.769 2.099 8.891 1.00 0.00 H new ATOM 0 HE22 GLN A 391 -2.538 2.619 10.395 1.00 0.00 H new ATOM 278 N TYR A 392 -4.974 -2.595 6.354 1.00 0.00 N ATOM 279 CA TYR A 392 -6.044 -3.541 6.063 1.00 0.00 C ATOM 280 C TYR A 392 -5.548 -4.595 5.081 1.00 0.00 C ATOM 281 O TYR A 392 -5.775 -5.792 5.267 1.00 0.00 O ATOM 282 CB TYR A 392 -7.259 -2.814 5.485 1.00 0.00 C ATOM 283 CG TYR A 392 -7.616 -1.546 6.227 1.00 0.00 C ATOM 284 CD1 TYR A 392 -7.676 -1.523 7.614 1.00 0.00 C ATOM 285 CD2 TYR A 392 -7.896 -0.371 5.539 1.00 0.00 C ATOM 286 CE1 TYR A 392 -8.001 -0.366 8.296 1.00 0.00 C ATOM 287 CE2 TYR A 392 -8.222 0.789 6.214 1.00 0.00 C ATOM 288 CZ TYR A 392 -8.274 0.787 7.591 1.00 0.00 C ATOM 289 OH TYR A 392 -8.599 1.942 8.266 1.00 0.00 O ATOM 0 H TYR A 392 -5.198 -1.623 6.141 1.00 0.00 H new ATOM 0 HA TYR A 392 -6.343 -4.029 6.991 1.00 0.00 H new ATOM 0 HB2 TYR A 392 -7.063 -2.571 4.441 1.00 0.00 H new ATOM 0 HB3 TYR A 392 -8.116 -3.487 5.500 1.00 0.00 H new ATOM 0 HD1 TYR A 392 -7.465 -2.425 8.169 1.00 0.00 H new ATOM 0 HD2 TYR A 392 -7.858 -0.365 4.460 1.00 0.00 H new ATOM 0 HE1 TYR A 392 -8.041 -0.365 9.375 1.00 0.00 H new ATOM 0 HE2 TYR A 392 -8.435 1.694 5.665 1.00 0.00 H new ATOM 0 HH TYR A 392 -8.730 2.671 7.624 1.00 0.00 H new ATOM 299 N LEU A 393 -4.845 -4.140 4.045 1.00 0.00 N ATOM 300 CA LEU A 393 -4.292 -5.042 3.045 1.00 0.00 C ATOM 301 C LEU A 393 -3.312 -6.003 3.702 1.00 0.00 C ATOM 302 O LEU A 393 -3.228 -7.174 3.334 1.00 0.00 O ATOM 303 CB LEU A 393 -3.596 -4.250 1.935 1.00 0.00 C ATOM 304 CG LEU A 393 -4.438 -4.019 0.679 1.00 0.00 C ATOM 305 CD1 LEU A 393 -4.110 -2.668 0.059 1.00 0.00 C ATOM 306 CD2 LEU A 393 -4.215 -5.139 -0.326 1.00 0.00 C ATOM 0 H LEU A 393 -4.647 -3.153 3.879 1.00 0.00 H new ATOM 0 HA LEU A 393 -5.106 -5.614 2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 393 -3.294 -3.282 2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 393 -2.684 -4.776 1.651 1.00 0.00 H new ATOM 0 HG LEU A 393 -5.490 -4.019 0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 393 -4.718 -2.520 -0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 393 -4.322 -1.877 0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 393 -3.055 -2.639 -0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 393 -4.822 -4.958 -1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 393 -3.162 -5.171 -0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 393 -4.501 -6.091 0.121 1.00 0.00 H new ATOM 318 N GLU A 394 -2.582 -5.497 4.696 1.00 0.00 N ATOM 319 CA GLU A 394 -1.619 -6.309 5.427 1.00 0.00 C ATOM 320 C GLU A 394 -2.334 -7.468 6.108 1.00 0.00 C ATOM 321 O GLU A 394 -1.909 -8.620 6.014 1.00 0.00 O ATOM 322 CB GLU A 394 -0.885 -5.460 6.467 1.00 0.00 C ATOM 323 CG GLU A 394 0.573 -5.849 6.651 1.00 0.00 C ATOM 324 CD GLU A 394 1.411 -5.564 5.420 1.00 0.00 C ATOM 325 OE1 GLU A 394 1.707 -4.379 5.165 1.00 0.00 O ATOM 326 OE2 GLU A 394 1.773 -6.528 4.714 1.00 0.00 O ATOM 0 H GLU A 394 -2.642 -4.529 5.011 1.00 0.00 H new ATOM 0 HA GLU A 394 -0.886 -6.704 4.724 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -0.938 -4.412 6.171 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -1.399 -5.548 7.424 1.00 0.00 H new ATOM 0 HG2 GLU A 394 0.986 -5.306 7.501 1.00 0.00 H new ATOM 0 HG3 GLU A 394 0.635 -6.911 6.891 1.00 0.00 H new ATOM 333 N GLN A 395 -3.438 -7.154 6.778 1.00 0.00 N ATOM 334 CA GLN A 395 -4.227 -8.175 7.454 1.00 0.00 C ATOM 335 C GLN A 395 -4.733 -9.196 6.443 1.00 0.00 C ATOM 336 O GLN A 395 -4.699 -10.403 6.689 1.00 0.00 O ATOM 337 CB GLN A 395 -5.407 -7.536 8.191 1.00 0.00 C ATOM 338 CG GLN A 395 -5.050 -7.011 9.572 1.00 0.00 C ATOM 339 CD GLN A 395 -4.966 -5.499 9.618 1.00 0.00 C ATOM 340 OE1 GLN A 395 -3.887 -4.930 9.784 1.00 0.00 O ATOM 341 NE2 GLN A 395 -6.108 -4.838 9.470 1.00 0.00 N ATOM 0 H GLN A 395 -3.804 -6.206 6.867 1.00 0.00 H new ATOM 0 HA GLN A 395 -3.594 -8.680 8.183 1.00 0.00 H new ATOM 0 HB2 GLN A 395 -5.799 -6.716 7.590 1.00 0.00 H new ATOM 0 HB3 GLN A 395 -6.206 -8.271 8.286 1.00 0.00 H new ATOM 0 HG2 GLN A 395 -5.796 -7.352 10.290 1.00 0.00 H new ATOM 0 HG3 GLN A 395 -4.094 -7.434 9.881 1.00 0.00 H new ATOM 0 HE21 GLN A 395 -6.980 -5.350 9.335 1.00 0.00 H new ATOM 0 HE22 GLN A 395 -6.114 -3.818 9.492 1.00 0.00 H new ATOM 350 N GLU A 396 -5.190 -8.700 5.296 1.00 0.00 N ATOM 351 CA GLU A 396 -5.690 -9.565 4.235 1.00 0.00 C ATOM 352 C GLU A 396 -4.601 -10.522 3.771 1.00 0.00 C ATOM 353 O GLU A 396 -4.748 -11.740 3.867 1.00 0.00 O ATOM 354 CB GLU A 396 -6.191 -8.731 3.054 1.00 0.00 C ATOM 355 CG GLU A 396 -7.117 -7.597 3.462 1.00 0.00 C ATOM 356 CD GLU A 396 -8.358 -7.517 2.594 1.00 0.00 C ATOM 357 OE1 GLU A 396 -9.075 -8.535 2.488 1.00 0.00 O ATOM 358 OE2 GLU A 396 -8.615 -6.436 2.021 1.00 0.00 O ATOM 0 H GLU A 396 -5.224 -7.704 5.079 1.00 0.00 H new ATOM 0 HA GLU A 396 -6.523 -10.146 4.632 1.00 0.00 H new ATOM 0 HB2 GLU A 396 -5.334 -8.317 2.523 1.00 0.00 H new ATOM 0 HB3 GLU A 396 -6.714 -9.383 2.355 1.00 0.00 H new ATOM 0 HG2 GLU A 396 -7.414 -7.731 4.502 1.00 0.00 H new ATOM 0 HG3 GLU A 396 -6.576 -6.652 3.404 1.00 0.00 H new ATOM 365 N VAL A 397 -3.497 -9.967 3.273 1.00 0.00 N ATOM 366 CA VAL A 397 -2.381 -10.782 2.804 1.00 0.00 C ATOM 367 C VAL A 397 -1.975 -11.799 3.868 1.00 0.00 C ATOM 368 O VAL A 397 -1.620 -12.935 3.553 1.00 0.00 O ATOM 369 CB VAL A 397 -1.158 -9.918 2.430 1.00 0.00 C ATOM 370 CG1 VAL A 397 -0.692 -9.099 3.621 1.00 0.00 C ATOM 371 CG2 VAL A 397 -0.028 -10.790 1.901 1.00 0.00 C ATOM 0 H VAL A 397 -3.353 -8.961 3.185 1.00 0.00 H new ATOM 0 HA VAL A 397 -2.720 -11.304 1.909 1.00 0.00 H new ATOM 0 HB VAL A 397 -1.457 -9.228 1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 397 0.171 -8.498 3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 397 -1.498 -8.443 3.949 1.00 0.00 H new ATOM 0 HG13 VAL A 397 -0.414 -9.767 4.436 1.00 0.00 H new ATOM 0 HG21 VAL A 397 0.825 -10.163 1.643 1.00 0.00 H new ATOM 0 HG22 VAL A 397 0.267 -11.507 2.667 1.00 0.00 H new ATOM 0 HG23 VAL A 397 -0.366 -11.325 1.014 1.00 0.00 H new ATOM 381 N GLU A 398 -2.046 -11.385 5.129 1.00 0.00 N ATOM 382 CA GLU A 398 -1.703 -12.264 6.237 1.00 0.00 C ATOM 383 C GLU A 398 -2.653 -13.455 6.276 1.00 0.00 C ATOM 384 O GLU A 398 -2.230 -14.598 6.447 1.00 0.00 O ATOM 385 CB GLU A 398 -1.762 -11.503 7.563 1.00 0.00 C ATOM 386 CG GLU A 398 -1.127 -12.251 8.724 1.00 0.00 C ATOM 387 CD GLU A 398 -1.682 -11.817 10.068 1.00 0.00 C ATOM 388 OE1 GLU A 398 -1.510 -10.634 10.428 1.00 0.00 O ATOM 389 OE2 GLU A 398 -2.290 -12.663 10.758 1.00 0.00 O ATOM 0 H GLU A 398 -2.338 -10.448 5.407 1.00 0.00 H new ATOM 0 HA GLU A 398 -0.686 -12.626 6.089 1.00 0.00 H new ATOM 0 HB2 GLU A 398 -1.261 -10.542 7.443 1.00 0.00 H new ATOM 0 HB3 GLU A 398 -2.804 -11.291 7.805 1.00 0.00 H new ATOM 0 HG2 GLU A 398 -1.290 -13.321 8.595 1.00 0.00 H new ATOM 0 HG3 GLU A 398 -0.049 -12.089 8.710 1.00 0.00 H new ATOM 396 N GLU A 399 -3.942 -13.176 6.105 1.00 0.00 N ATOM 397 CA GLU A 399 -4.959 -14.220 6.108 1.00 0.00 C ATOM 398 C GLU A 399 -5.156 -14.805 4.707 1.00 0.00 C ATOM 399 O GLU A 399 -5.964 -15.713 4.514 1.00 0.00 O ATOM 400 CB GLU A 399 -6.286 -13.667 6.631 1.00 0.00 C ATOM 401 CG GLU A 399 -6.269 -13.348 8.118 1.00 0.00 C ATOM 402 CD GLU A 399 -7.146 -12.164 8.470 1.00 0.00 C ATOM 403 OE1 GLU A 399 -8.050 -11.835 7.672 1.00 0.00 O ATOM 404 OE2 GLU A 399 -6.929 -11.564 9.544 1.00 0.00 O ATOM 0 H GLU A 399 -4.306 -12.234 5.963 1.00 0.00 H new ATOM 0 HA GLU A 399 -4.617 -15.018 6.768 1.00 0.00 H new ATOM 0 HB2 GLU A 399 -6.537 -12.763 6.077 1.00 0.00 H new ATOM 0 HB3 GLU A 399 -7.076 -14.392 6.432 1.00 0.00 H new ATOM 0 HG2 GLU A 399 -6.603 -14.222 8.677 1.00 0.00 H new ATOM 0 HG3 GLU A 399 -5.245 -13.142 8.430 1.00 0.00 H new ATOM 411 N PHE A 400 -4.413 -14.273 3.732 1.00 0.00 N ATOM 412 CA PHE A 400 -4.499 -14.733 2.346 1.00 0.00 C ATOM 413 C PHE A 400 -4.582 -16.257 2.268 1.00 0.00 C ATOM 414 O PHE A 400 -3.897 -16.964 3.006 1.00 0.00 O ATOM 415 CB PHE A 400 -3.289 -14.224 1.555 1.00 0.00 C ATOM 416 CG PHE A 400 -3.214 -14.747 0.145 1.00 0.00 C ATOM 417 CD1 PHE A 400 -4.186 -14.416 -0.786 1.00 0.00 C ATOM 418 CD2 PHE A 400 -2.170 -15.570 -0.245 1.00 0.00 C ATOM 419 CE1 PHE A 400 -4.116 -14.897 -2.079 1.00 0.00 C ATOM 420 CE2 PHE A 400 -2.095 -16.052 -1.537 1.00 0.00 C ATOM 421 CZ PHE A 400 -3.070 -15.716 -2.455 1.00 0.00 C ATOM 0 H PHE A 400 -3.742 -13.519 3.880 1.00 0.00 H new ATOM 0 HA PHE A 400 -5.412 -14.330 1.909 1.00 0.00 H new ATOM 0 HB2 PHE A 400 -3.319 -13.135 1.526 1.00 0.00 H new ATOM 0 HB3 PHE A 400 -2.378 -14.504 2.084 1.00 0.00 H new ATOM 0 HD1 PHE A 400 -5.006 -13.776 -0.498 1.00 0.00 H new ATOM 0 HD2 PHE A 400 -1.406 -15.838 0.470 1.00 0.00 H new ATOM 0 HE1 PHE A 400 -4.879 -14.632 -2.796 1.00 0.00 H new ATOM 0 HE2 PHE A 400 -1.275 -16.691 -1.829 1.00 0.00 H new ATOM 0 HZ PHE A 400 -3.015 -16.093 -3.465 1.00 0.00 H new ATOM 431 N VAL A 401 -5.428 -16.753 1.369 1.00 0.00 N ATOM 432 CA VAL A 401 -5.612 -18.190 1.190 1.00 0.00 C ATOM 433 C VAL A 401 -4.272 -18.915 1.078 1.00 0.00 C ATOM 434 O VAL A 401 -4.049 -19.931 1.737 1.00 0.00 O ATOM 435 CB VAL A 401 -6.461 -18.492 -0.060 1.00 0.00 C ATOM 436 CG1 VAL A 401 -5.832 -17.874 -1.299 1.00 0.00 C ATOM 437 CG2 VAL A 401 -6.651 -19.992 -0.238 1.00 0.00 C ATOM 0 H VAL A 401 -5.999 -16.177 0.750 1.00 0.00 H new ATOM 0 HA VAL A 401 -6.136 -18.554 2.074 1.00 0.00 H new ATOM 0 HB VAL A 401 -7.444 -18.044 0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 401 -6.447 -18.099 -2.170 1.00 0.00 H new ATOM 0 HG12 VAL A 401 -5.764 -16.794 -1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 401 -4.833 -18.286 -1.444 1.00 0.00 H new ATOM 0 HG21 VAL A 401 -7.253 -20.180 -1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 401 -5.678 -20.471 -0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 401 -7.157 -20.401 0.636 1.00 0.00 H new ATOM 447 N GLY A 402 -3.382 -18.388 0.243 1.00 0.00 N ATOM 448 CA GLY A 402 -2.080 -19.001 0.067 1.00 0.00 C ATOM 449 C GLY A 402 -1.674 -19.098 -1.391 1.00 0.00 C ATOM 450 O GLY A 402 -0.530 -18.807 -1.745 1.00 0.00 O ATOM 0 H GLY A 402 -3.540 -17.548 -0.314 1.00 0.00 H new ATOM 0 HA2 GLY A 402 -1.333 -18.422 0.611 1.00 0.00 H new ATOM 0 HA3 GLY A 402 -2.090 -19.999 0.505 1.00 0.00 H new ATOM 454 N LYS A 403 -2.610 -19.509 -2.240 1.00 0.00 N ATOM 455 CA LYS A 403 -2.341 -19.643 -3.666 1.00 0.00 C ATOM 456 C LYS A 403 -3.079 -18.571 -4.464 1.00 0.00 C ATOM 457 O LYS A 403 -4.055 -17.993 -3.989 1.00 0.00 O ATOM 458 CB LYS A 403 -2.752 -21.032 -4.157 1.00 0.00 C ATOM 459 CG LYS A 403 -1.875 -22.152 -3.616 1.00 0.00 C ATOM 460 CD LYS A 403 -1.252 -22.967 -4.739 1.00 0.00 C ATOM 461 CE LYS A 403 0.038 -22.335 -5.237 1.00 0.00 C ATOM 462 NZ LYS A 403 0.561 -23.022 -6.450 1.00 0.00 N ATOM 0 H LYS A 403 -3.561 -19.755 -1.965 1.00 0.00 H new ATOM 0 HA LYS A 403 -1.270 -19.513 -3.820 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -3.786 -21.219 -3.868 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -2.718 -21.048 -5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -1.087 -21.729 -2.992 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -2.470 -22.805 -2.978 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -1.050 -23.979 -4.387 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -1.959 -23.051 -5.564 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -0.137 -21.283 -5.463 1.00 0.00 H new ATOM 0 HE3 LYS A 403 0.788 -22.371 -4.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 1.441 -22.561 -6.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 0.752 -24.020 -6.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -0.144 -22.965 -7.212 1.00 0.00 H new ATOM 476 N LYS A 404 -2.602 -18.311 -5.677 1.00 0.00 N ATOM 477 CA LYS A 404 -3.214 -17.307 -6.541 1.00 0.00 C ATOM 478 C LYS A 404 -4.467 -17.859 -7.218 1.00 0.00 C ATOM 479 O LYS A 404 -4.552 -17.912 -8.445 1.00 0.00 O ATOM 480 CB LYS A 404 -2.210 -16.838 -7.598 1.00 0.00 C ATOM 481 CG LYS A 404 -2.714 -15.678 -8.441 1.00 0.00 C ATOM 482 CD LYS A 404 -2.086 -15.683 -9.825 1.00 0.00 C ATOM 483 CE LYS A 404 -2.276 -14.350 -10.528 1.00 0.00 C ATOM 484 NZ LYS A 404 -1.939 -14.432 -11.977 1.00 0.00 N ATOM 0 H LYS A 404 -1.794 -18.781 -6.084 1.00 0.00 H new ATOM 0 HA LYS A 404 -3.505 -16.458 -5.923 1.00 0.00 H new ATOM 0 HB2 LYS A 404 -1.285 -16.542 -7.103 1.00 0.00 H new ATOM 0 HB3 LYS A 404 -1.967 -17.674 -8.253 1.00 0.00 H new ATOM 0 HG2 LYS A 404 -3.799 -15.737 -8.532 1.00 0.00 H new ATOM 0 HG3 LYS A 404 -2.487 -14.737 -7.940 1.00 0.00 H new ATOM 0 HD2 LYS A 404 -1.022 -15.903 -9.742 1.00 0.00 H new ATOM 0 HD3 LYS A 404 -2.530 -16.478 -10.424 1.00 0.00 H new ATOM 0 HE2 LYS A 404 -3.310 -14.024 -10.414 1.00 0.00 H new ATOM 0 HE3 LYS A 404 -1.649 -13.596 -10.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 404 -2.082 -13.502 -12.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 404 -0.945 -14.719 -12.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 404 -2.554 -15.133 -12.437 1.00 0.00 H new ATOM 498 N THR A 405 -5.439 -18.269 -6.409 1.00 0.00 N ATOM 499 CA THR A 405 -6.688 -18.817 -6.929 1.00 0.00 C ATOM 500 C THR A 405 -7.893 -18.043 -6.399 1.00 0.00 C ATOM 501 O THR A 405 -8.915 -17.930 -7.074 1.00 0.00 O ATOM 502 CB THR A 405 -6.812 -20.294 -6.558 1.00 0.00 C ATOM 503 OG1 THR A 405 -8.003 -20.847 -7.090 1.00 0.00 O ATOM 504 CG2 THR A 405 -6.822 -20.537 -5.064 1.00 0.00 C ATOM 0 H THR A 405 -5.386 -18.232 -5.391 1.00 0.00 H new ATOM 0 HA THR A 405 -6.671 -18.720 -8.015 1.00 0.00 H new ATOM 0 HB THR A 405 -5.930 -20.773 -6.983 1.00 0.00 H new ATOM 0 HG1 THR A 405 -8.063 -21.793 -6.843 1.00 0.00 H new ATOM 0 HG21 THR A 405 -6.912 -21.606 -4.870 1.00 0.00 H new ATOM 0 HG22 THR A 405 -5.894 -20.166 -4.629 1.00 0.00 H new ATOM 0 HG23 THR A 405 -7.667 -20.014 -4.616 1.00 0.00 H new ATOM 512 N ASP A 406 -7.769 -17.515 -5.184 1.00 0.00 N ATOM 513 CA ASP A 406 -8.850 -16.756 -4.566 1.00 0.00 C ATOM 514 C ASP A 406 -8.831 -15.302 -5.028 1.00 0.00 C ATOM 515 O ASP A 406 -7.795 -14.787 -5.446 1.00 0.00 O ATOM 516 CB ASP A 406 -8.736 -16.824 -3.041 1.00 0.00 C ATOM 517 CG ASP A 406 -9.863 -16.087 -2.342 1.00 0.00 C ATOM 518 OD1 ASP A 406 -10.980 -16.640 -2.273 1.00 0.00 O ATOM 519 OD2 ASP A 406 -9.626 -14.958 -1.864 1.00 0.00 O ATOM 0 H ASP A 406 -6.931 -17.599 -4.609 1.00 0.00 H new ATOM 0 HA ASP A 406 -9.797 -17.200 -4.874 1.00 0.00 H new ATOM 0 HB2 ASP A 406 -8.738 -17.867 -2.726 1.00 0.00 H new ATOM 0 HB3 ASP A 406 -7.781 -16.399 -2.732 1.00 0.00 H new ATOM 524 N LYS A 407 -9.985 -14.647 -4.948 1.00 0.00 N ATOM 525 CA LYS A 407 -10.104 -13.250 -5.356 1.00 0.00 C ATOM 526 C LYS A 407 -9.220 -12.348 -4.499 1.00 0.00 C ATOM 527 O LYS A 407 -8.900 -11.222 -4.887 1.00 0.00 O ATOM 528 CB LYS A 407 -11.560 -12.791 -5.265 1.00 0.00 C ATOM 529 CG LYS A 407 -12.249 -13.204 -3.974 1.00 0.00 C ATOM 530 CD LYS A 407 -13.163 -12.107 -3.453 1.00 0.00 C ATOM 531 CE LYS A 407 -12.372 -10.994 -2.784 1.00 0.00 C ATOM 532 NZ LYS A 407 -13.072 -10.456 -1.585 1.00 0.00 N ATOM 0 H LYS A 407 -10.852 -15.061 -4.604 1.00 0.00 H new ATOM 0 HA LYS A 407 -9.769 -13.175 -6.391 1.00 0.00 H new ATOM 0 HB2 LYS A 407 -11.596 -11.705 -5.355 1.00 0.00 H new ATOM 0 HB3 LYS A 407 -12.115 -13.200 -6.110 1.00 0.00 H new ATOM 0 HG2 LYS A 407 -12.829 -14.111 -4.144 1.00 0.00 H new ATOM 0 HG3 LYS A 407 -11.499 -13.442 -3.220 1.00 0.00 H new ATOM 0 HD2 LYS A 407 -13.746 -11.696 -4.277 1.00 0.00 H new ATOM 0 HD3 LYS A 407 -13.872 -12.530 -2.741 1.00 0.00 H new ATOM 0 HE2 LYS A 407 -11.391 -11.370 -2.493 1.00 0.00 H new ATOM 0 HE3 LYS A 407 -12.205 -10.188 -3.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 407 -12.499 -9.700 -1.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 407 -13.997 -10.073 -1.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 407 -13.209 -11.219 -0.892 1.00 0.00 H new ATOM 546 N ALA A 408 -8.824 -12.845 -3.329 1.00 0.00 N ATOM 547 CA ALA A 408 -7.978 -12.083 -2.419 1.00 0.00 C ATOM 548 C ALA A 408 -6.787 -11.472 -3.151 1.00 0.00 C ATOM 549 O ALA A 408 -6.678 -10.254 -3.270 1.00 0.00 O ATOM 550 CB ALA A 408 -7.503 -12.967 -1.278 1.00 0.00 C ATOM 0 H ALA A 408 -9.077 -13.773 -2.990 1.00 0.00 H new ATOM 0 HA ALA A 408 -8.573 -11.267 -2.009 1.00 0.00 H new ATOM 0 HB1 ALA A 408 -6.872 -12.386 -0.606 1.00 0.00 H new ATOM 0 HB2 ALA A 408 -8.365 -13.347 -0.729 1.00 0.00 H new ATOM 0 HB3 ALA A 408 -6.931 -13.803 -1.680 1.00 0.00 H new ATOM 556 N TYR A 409 -5.896 -12.329 -3.640 1.00 0.00 N ATOM 557 CA TYR A 409 -4.711 -11.871 -4.360 1.00 0.00 C ATOM 558 C TYR A 409 -5.069 -10.826 -5.412 1.00 0.00 C ATOM 559 O TYR A 409 -4.327 -9.864 -5.618 1.00 0.00 O ATOM 560 CB TYR A 409 -3.997 -13.052 -5.017 1.00 0.00 C ATOM 561 CG TYR A 409 -2.525 -12.808 -5.258 1.00 0.00 C ATOM 562 CD1 TYR A 409 -1.647 -12.650 -4.193 1.00 0.00 C ATOM 563 CD2 TYR A 409 -2.014 -12.731 -6.548 1.00 0.00 C ATOM 564 CE1 TYR A 409 -0.300 -12.423 -4.406 1.00 0.00 C ATOM 565 CE2 TYR A 409 -0.668 -12.506 -6.769 1.00 0.00 C ATOM 566 CZ TYR A 409 0.184 -12.353 -5.696 1.00 0.00 C ATOM 567 OH TYR A 409 1.524 -12.127 -5.913 1.00 0.00 O ATOM 0 H TYR A 409 -5.971 -13.342 -3.552 1.00 0.00 H new ATOM 0 HA TYR A 409 -4.041 -11.407 -3.636 1.00 0.00 H new ATOM 0 HB2 TYR A 409 -4.113 -13.933 -4.386 1.00 0.00 H new ATOM 0 HB3 TYR A 409 -4.481 -13.275 -5.968 1.00 0.00 H new ATOM 0 HD1 TYR A 409 -2.023 -12.705 -3.182 1.00 0.00 H new ATOM 0 HD2 TYR A 409 -2.679 -12.849 -7.391 1.00 0.00 H new ATOM 0 HE1 TYR A 409 0.370 -12.301 -3.567 1.00 0.00 H new ATOM 0 HE2 TYR A 409 -0.286 -12.450 -7.778 1.00 0.00 H new ATOM 0 HH TYR A 409 2.019 -12.966 -5.805 1.00 0.00 H new ATOM 577 N TRP A 410 -6.209 -11.011 -6.073 1.00 0.00 N ATOM 578 CA TRP A 410 -6.653 -10.070 -7.095 1.00 0.00 C ATOM 579 C TRP A 410 -6.799 -8.673 -6.506 1.00 0.00 C ATOM 580 O TRP A 410 -6.125 -7.736 -6.933 1.00 0.00 O ATOM 581 CB TRP A 410 -7.983 -10.518 -7.706 1.00 0.00 C ATOM 582 CG TRP A 410 -7.938 -11.886 -8.315 1.00 0.00 C ATOM 583 CD1 TRP A 410 -6.824 -12.618 -8.614 1.00 0.00 C ATOM 584 CD2 TRP A 410 -9.060 -12.684 -8.702 1.00 0.00 C ATOM 585 NE1 TRP A 410 -7.188 -13.825 -9.162 1.00 0.00 N ATOM 586 CE2 TRP A 410 -8.555 -13.889 -9.227 1.00 0.00 C ATOM 587 CE3 TRP A 410 -10.444 -12.496 -8.655 1.00 0.00 C ATOM 588 CZ2 TRP A 410 -9.387 -14.901 -9.701 1.00 0.00 C ATOM 589 CZ3 TRP A 410 -11.269 -13.502 -9.125 1.00 0.00 C ATOM 590 CH2 TRP A 410 -10.738 -14.690 -9.641 1.00 0.00 C ATOM 0 H TRP A 410 -6.838 -11.799 -5.920 1.00 0.00 H new ATOM 0 HA TRP A 410 -5.899 -10.046 -7.881 1.00 0.00 H new ATOM 0 HB2 TRP A 410 -8.752 -10.499 -6.933 1.00 0.00 H new ATOM 0 HB3 TRP A 410 -8.281 -9.800 -8.470 1.00 0.00 H new ATOM 0 HD1 TRP A 410 -5.807 -12.296 -8.445 1.00 0.00 H new ATOM 0 HE1 TRP A 410 -6.545 -14.554 -9.470 1.00 0.00 H new ATOM 0 HE3 TRP A 410 -10.862 -11.582 -8.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 410 -8.981 -15.818 -10.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 410 -12.340 -13.369 -9.093 1.00 0.00 H new ATOM 0 HH2 TRP A 410 -11.409 -15.457 -10.000 1.00 0.00 H new ATOM 601 N LEU A 411 -7.678 -8.539 -5.515 1.00 0.00 N ATOM 602 CA LEU A 411 -7.895 -7.249 -4.870 1.00 0.00 C ATOM 603 C LEU A 411 -6.637 -6.805 -4.128 1.00 0.00 C ATOM 604 O LEU A 411 -6.403 -5.611 -3.945 1.00 0.00 O ATOM 605 CB LEU A 411 -9.085 -7.312 -3.908 1.00 0.00 C ATOM 606 CG LEU A 411 -8.858 -8.129 -2.633 1.00 0.00 C ATOM 607 CD1 LEU A 411 -8.891 -7.231 -1.406 1.00 0.00 C ATOM 608 CD2 LEU A 411 -9.899 -9.233 -2.514 1.00 0.00 C ATOM 0 H LEU A 411 -8.246 -9.301 -5.145 1.00 0.00 H new ATOM 0 HA LEU A 411 -8.121 -6.517 -5.645 1.00 0.00 H new ATOM 0 HB2 LEU A 411 -9.355 -6.295 -3.624 1.00 0.00 H new ATOM 0 HB3 LEU A 411 -9.939 -7.731 -4.440 1.00 0.00 H new ATOM 0 HG LEU A 411 -7.872 -8.589 -2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 411 -8.728 -7.832 -0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 411 -8.107 -6.478 -1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 411 -9.862 -6.739 -1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 411 -9.722 -9.803 -1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 411 -10.895 -8.792 -2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 411 -9.827 -9.896 -3.376 1.00 0.00 H new ATOM 620 N LEU A 412 -5.823 -7.775 -3.715 1.00 0.00 N ATOM 621 CA LEU A 412 -4.584 -7.477 -3.006 1.00 0.00 C ATOM 622 C LEU A 412 -3.671 -6.618 -3.876 1.00 0.00 C ATOM 623 O LEU A 412 -3.429 -5.448 -3.579 1.00 0.00 O ATOM 624 CB LEU A 412 -3.860 -8.772 -2.616 1.00 0.00 C ATOM 625 CG LEU A 412 -4.405 -9.496 -1.376 1.00 0.00 C ATOM 626 CD1 LEU A 412 -3.420 -10.551 -0.903 1.00 0.00 C ATOM 627 CD2 LEU A 412 -4.700 -8.508 -0.258 1.00 0.00 C ATOM 0 H LEU A 412 -6.000 -8.769 -3.859 1.00 0.00 H new ATOM 0 HA LEU A 412 -4.834 -6.928 -2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 412 -3.902 -9.458 -3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 412 -2.809 -8.541 -2.445 1.00 0.00 H new ATOM 0 HG LEU A 412 -5.338 -9.988 -1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 412 -3.821 -11.055 -0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 412 -3.259 -11.280 -1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 412 -2.473 -10.076 -0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 412 -5.085 -9.044 0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 412 -3.784 -7.985 0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 412 -5.443 -7.786 -0.597 1.00 0.00 H new ATOM 639 N GLU A 413 -3.171 -7.210 -4.957 1.00 0.00 N ATOM 640 CA GLU A 413 -2.289 -6.504 -5.878 1.00 0.00 C ATOM 641 C GLU A 413 -2.994 -5.295 -6.486 1.00 0.00 C ATOM 642 O GLU A 413 -2.404 -4.223 -6.617 1.00 0.00 O ATOM 643 CB GLU A 413 -1.816 -7.445 -6.988 1.00 0.00 C ATOM 644 CG GLU A 413 -0.380 -7.201 -7.422 1.00 0.00 C ATOM 645 CD GLU A 413 0.299 -8.460 -7.925 1.00 0.00 C ATOM 646 OE1 GLU A 413 -0.416 -9.382 -8.369 1.00 0.00 O ATOM 647 OE2 GLU A 413 1.545 -8.522 -7.873 1.00 0.00 O ATOM 0 H GLU A 413 -3.362 -8.178 -5.216 1.00 0.00 H new ATOM 0 HA GLU A 413 -1.423 -6.153 -5.316 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -1.913 -8.475 -6.645 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -2.472 -7.333 -7.852 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -0.365 -6.446 -8.208 1.00 0.00 H new ATOM 0 HG3 GLU A 413 0.186 -6.798 -6.582 1.00 0.00 H new ATOM 654 N GLU A 414 -4.260 -5.474 -6.852 1.00 0.00 N ATOM 655 CA GLU A 414 -5.043 -4.396 -7.444 1.00 0.00 C ATOM 656 C GLU A 414 -5.091 -3.188 -6.514 1.00 0.00 C ATOM 657 O GLU A 414 -4.735 -2.075 -6.905 1.00 0.00 O ATOM 658 CB GLU A 414 -6.463 -4.876 -7.749 1.00 0.00 C ATOM 659 CG GLU A 414 -6.572 -5.670 -9.040 1.00 0.00 C ATOM 660 CD GLU A 414 -7.022 -4.820 -10.213 1.00 0.00 C ATOM 661 OE1 GLU A 414 -6.580 -3.656 -10.304 1.00 0.00 O ATOM 662 OE2 GLU A 414 -7.815 -5.320 -11.037 1.00 0.00 O ATOM 0 H GLU A 414 -4.764 -6.355 -6.749 1.00 0.00 H new ATOM 0 HA GLU A 414 -4.561 -4.098 -8.375 1.00 0.00 H new ATOM 0 HB2 GLU A 414 -6.815 -5.493 -6.922 1.00 0.00 H new ATOM 0 HB3 GLU A 414 -7.125 -4.012 -7.806 1.00 0.00 H new ATOM 0 HG2 GLU A 414 -5.605 -6.117 -9.270 1.00 0.00 H new ATOM 0 HG3 GLU A 414 -7.276 -6.490 -8.899 1.00 0.00 H new ATOM 669 N MET A 415 -5.526 -3.415 -5.279 1.00 0.00 N ATOM 670 CA MET A 415 -5.613 -2.346 -4.292 1.00 0.00 C ATOM 671 C MET A 415 -4.248 -1.706 -4.071 1.00 0.00 C ATOM 672 O MET A 415 -4.134 -0.487 -3.941 1.00 0.00 O ATOM 673 CB MET A 415 -6.159 -2.886 -2.969 1.00 0.00 C ATOM 674 CG MET A 415 -6.707 -1.807 -2.050 1.00 0.00 C ATOM 675 SD MET A 415 -8.256 -2.287 -1.261 1.00 0.00 S ATOM 676 CE MET A 415 -9.313 -2.500 -2.691 1.00 0.00 C ATOM 0 H MET A 415 -5.824 -4.329 -4.938 1.00 0.00 H new ATOM 0 HA MET A 415 -6.296 -1.586 -4.672 1.00 0.00 H new ATOM 0 HB2 MET A 415 -6.948 -3.608 -3.179 1.00 0.00 H new ATOM 0 HB3 MET A 415 -5.365 -3.424 -2.451 1.00 0.00 H new ATOM 0 HG2 MET A 415 -5.968 -1.580 -1.282 1.00 0.00 H new ATOM 0 HG3 MET A 415 -6.863 -0.893 -2.622 1.00 0.00 H new ATOM 0 HE1 MET A 415 -10.343 -2.270 -2.419 1.00 0.00 H new ATOM 0 HE2 MET A 415 -8.989 -1.829 -3.486 1.00 0.00 H new ATOM 0 HE3 MET A 415 -9.251 -3.531 -3.039 1.00 0.00 H new ATOM 686 N LEU A 416 -3.211 -2.539 -4.033 1.00 0.00 N ATOM 687 CA LEU A 416 -1.849 -2.054 -3.833 1.00 0.00 C ATOM 688 C LEU A 416 -1.454 -1.080 -4.939 1.00 0.00 C ATOM 689 O LEU A 416 -0.999 0.032 -4.668 1.00 0.00 O ATOM 690 CB LEU A 416 -0.868 -3.226 -3.793 1.00 0.00 C ATOM 691 CG LEU A 416 -1.022 -4.158 -2.591 1.00 0.00 C ATOM 692 CD1 LEU A 416 -0.561 -5.567 -2.940 1.00 0.00 C ATOM 693 CD2 LEU A 416 -0.245 -3.620 -1.400 1.00 0.00 C ATOM 0 H LEU A 416 -3.288 -3.551 -4.138 1.00 0.00 H new ATOM 0 HA LEU A 416 -1.812 -1.528 -2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 416 -0.987 -3.811 -4.705 1.00 0.00 H new ATOM 0 HB3 LEU A 416 0.148 -2.830 -3.799 1.00 0.00 H new ATOM 0 HG LEU A 416 -2.078 -4.202 -2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 416 -0.679 -6.214 -2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 416 -1.162 -5.953 -3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 416 0.488 -5.544 -3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 416 -0.365 -4.295 -0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 416 0.811 -3.546 -1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 416 -0.624 -2.633 -1.134 1.00 0.00 H new ATOM 705 N THR A 417 -1.635 -1.505 -6.187 1.00 0.00 N ATOM 706 CA THR A 417 -1.301 -0.670 -7.335 1.00 0.00 C ATOM 707 C THR A 417 -2.049 0.658 -7.270 1.00 0.00 C ATOM 708 O THR A 417 -1.455 1.726 -7.432 1.00 0.00 O ATOM 709 CB THR A 417 -1.636 -1.395 -8.639 1.00 0.00 C ATOM 710 OG1 THR A 417 -2.988 -1.817 -8.647 1.00 0.00 O ATOM 711 CG2 THR A 417 -0.774 -2.615 -8.883 1.00 0.00 C ATOM 0 H THR A 417 -2.011 -2.422 -6.428 1.00 0.00 H new ATOM 0 HA THR A 417 -0.230 -0.469 -7.309 1.00 0.00 H new ATOM 0 HB THR A 417 -1.445 -0.669 -9.429 1.00 0.00 H new ATOM 0 HG1 THR A 417 -3.343 -1.796 -7.734 1.00 0.00 H new ATOM 0 HG21 THR A 417 -1.063 -3.083 -9.824 1.00 0.00 H new ATOM 0 HG22 THR A 417 0.273 -2.317 -8.933 1.00 0.00 H new ATOM 0 HG23 THR A 417 -0.910 -3.326 -8.068 1.00 0.00 H new ATOM 719 N LYS A 418 -3.354 0.585 -7.020 1.00 0.00 N ATOM 720 CA LYS A 418 -4.180 1.785 -6.924 1.00 0.00 C ATOM 721 C LYS A 418 -3.625 2.729 -5.862 1.00 0.00 C ATOM 722 O LYS A 418 -3.563 3.943 -6.065 1.00 0.00 O ATOM 723 CB LYS A 418 -5.624 1.411 -6.588 1.00 0.00 C ATOM 724 CG LYS A 418 -6.491 1.175 -7.813 1.00 0.00 C ATOM 725 CD LYS A 418 -7.903 1.702 -7.607 1.00 0.00 C ATOM 726 CE LYS A 418 -8.817 0.634 -7.028 1.00 0.00 C ATOM 727 NZ LYS A 418 -8.325 0.131 -5.717 1.00 0.00 N ATOM 0 H LYS A 418 -3.861 -0.289 -6.881 1.00 0.00 H new ATOM 0 HA LYS A 418 -4.163 2.293 -7.888 1.00 0.00 H new ATOM 0 HB2 LYS A 418 -5.624 0.510 -5.974 1.00 0.00 H new ATOM 0 HB3 LYS A 418 -6.066 2.206 -5.988 1.00 0.00 H new ATOM 0 HG2 LYS A 418 -6.042 1.664 -8.678 1.00 0.00 H new ATOM 0 HG3 LYS A 418 -6.528 0.108 -8.034 1.00 0.00 H new ATOM 0 HD2 LYS A 418 -7.877 2.562 -6.938 1.00 0.00 H new ATOM 0 HD3 LYS A 418 -8.305 2.050 -8.559 1.00 0.00 H new ATOM 0 HE2 LYS A 418 -9.820 1.042 -6.906 1.00 0.00 H new ATOM 0 HE3 LYS A 418 -8.894 -0.197 -7.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 -9.126 -0.230 -5.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 -7.640 -0.635 -5.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 -7.865 0.906 -5.198 1.00 0.00 H new ATOM 741 N GLU A 419 -3.212 2.160 -4.734 1.00 0.00 N ATOM 742 CA GLU A 419 -2.651 2.945 -3.643 1.00 0.00 C ATOM 743 C GLU A 419 -1.411 3.700 -4.110 1.00 0.00 C ATOM 744 O GLU A 419 -1.303 4.912 -3.929 1.00 0.00 O ATOM 745 CB GLU A 419 -2.301 2.037 -2.462 1.00 0.00 C ATOM 746 CG GLU A 419 -3.345 2.045 -1.357 1.00 0.00 C ATOM 747 CD GLU A 419 -3.507 0.688 -0.699 1.00 0.00 C ATOM 748 OE1 GLU A 419 -2.477 0.067 -0.360 1.00 0.00 O ATOM 749 OE2 GLU A 419 -4.662 0.247 -0.524 1.00 0.00 O ATOM 0 H GLU A 419 -3.256 1.157 -4.553 1.00 0.00 H new ATOM 0 HA GLU A 419 -3.398 3.670 -3.320 1.00 0.00 H new ATOM 0 HB2 GLU A 419 -2.175 1.017 -2.824 1.00 0.00 H new ATOM 0 HB3 GLU A 419 -1.342 2.348 -2.047 1.00 0.00 H new ATOM 0 HG2 GLU A 419 -3.064 2.780 -0.602 1.00 0.00 H new ATOM 0 HG3 GLU A 419 -4.303 2.362 -1.769 1.00 0.00 H new ATOM 756 N LEU A 420 -0.480 2.972 -4.722 1.00 0.00 N ATOM 757 CA LEU A 420 0.749 3.575 -5.225 1.00 0.00 C ATOM 758 C LEU A 420 0.436 4.751 -6.144 1.00 0.00 C ATOM 759 O LEU A 420 1.001 5.835 -5.998 1.00 0.00 O ATOM 760 CB LEU A 420 1.582 2.533 -5.976 1.00 0.00 C ATOM 761 CG LEU A 420 3.096 2.651 -5.785 1.00 0.00 C ATOM 762 CD1 LEU A 420 3.802 1.424 -6.339 1.00 0.00 C ATOM 763 CD2 LEU A 420 3.618 3.915 -6.449 1.00 0.00 C ATOM 0 H LEU A 420 -0.554 1.967 -4.881 1.00 0.00 H new ATOM 0 HA LEU A 420 1.322 3.942 -4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 420 1.267 1.540 -5.656 1.00 0.00 H new ATOM 0 HB3 LEU A 420 1.359 2.610 -7.040 1.00 0.00 H new ATOM 0 HG LEU A 420 3.305 2.712 -4.717 1.00 0.00 H new ATOM 0 HD11 LEU A 420 4.877 1.527 -6.194 1.00 0.00 H new ATOM 0 HD12 LEU A 420 3.449 0.534 -5.817 1.00 0.00 H new ATOM 0 HD13 LEU A 420 3.587 1.330 -7.403 1.00 0.00 H new ATOM 0 HD21 LEU A 420 4.696 3.984 -6.304 1.00 0.00 H new ATOM 0 HD22 LEU A 420 3.397 3.884 -7.516 1.00 0.00 H new ATOM 0 HD23 LEU A 420 3.136 4.785 -6.004 1.00 0.00 H new ATOM 775 N LEU A 421 -0.477 4.529 -7.086 1.00 0.00 N ATOM 776 CA LEU A 421 -0.875 5.572 -8.022 1.00 0.00 C ATOM 777 C LEU A 421 -1.460 6.766 -7.276 1.00 0.00 C ATOM 778 O LEU A 421 -1.240 7.916 -7.653 1.00 0.00 O ATOM 779 CB LEU A 421 -1.898 5.029 -9.021 1.00 0.00 C ATOM 780 CG LEU A 421 -1.859 5.677 -10.406 1.00 0.00 C ATOM 781 CD1 LEU A 421 -0.555 5.349 -11.113 1.00 0.00 C ATOM 782 CD2 LEU A 421 -3.049 5.223 -11.239 1.00 0.00 C ATOM 0 H LEU A 421 -0.953 3.637 -7.220 1.00 0.00 H new ATOM 0 HA LEU A 421 0.011 5.899 -8.566 1.00 0.00 H new ATOM 0 HB2 LEU A 421 -1.739 3.957 -9.134 1.00 0.00 H new ATOM 0 HB3 LEU A 421 -2.896 5.161 -8.603 1.00 0.00 H new ATOM 0 HG LEU A 421 -1.918 6.758 -10.282 1.00 0.00 H new ATOM 0 HD11 LEU A 421 -0.546 5.819 -12.097 1.00 0.00 H new ATOM 0 HD12 LEU A 421 0.282 5.724 -10.524 1.00 0.00 H new ATOM 0 HD13 LEU A 421 -0.464 4.269 -11.226 1.00 0.00 H new ATOM 0 HD21 LEU A 421 -3.006 5.693 -12.221 1.00 0.00 H new ATOM 0 HD22 LEU A 421 -3.021 4.139 -11.354 1.00 0.00 H new ATOM 0 HD23 LEU A 421 -3.974 5.511 -10.739 1.00 0.00 H new ATOM 794 N GLU A 422 -2.203 6.483 -6.210 1.00 0.00 N ATOM 795 CA GLU A 422 -2.817 7.533 -5.405 1.00 0.00 C ATOM 796 C GLU A 422 -1.750 8.405 -4.751 1.00 0.00 C ATOM 797 O GLU A 422 -1.873 9.629 -4.711 1.00 0.00 O ATOM 798 CB GLU A 422 -3.721 6.922 -4.333 1.00 0.00 C ATOM 799 CG GLU A 422 -5.080 6.490 -4.859 1.00 0.00 C ATOM 800 CD GLU A 422 -5.814 7.610 -5.569 1.00 0.00 C ATOM 801 OE1 GLU A 422 -5.564 7.813 -6.775 1.00 0.00 O ATOM 802 OE2 GLU A 422 -6.641 8.283 -4.917 1.00 0.00 O ATOM 0 H GLU A 422 -2.394 5.536 -5.884 1.00 0.00 H new ATOM 0 HA GLU A 422 -3.421 8.157 -6.064 1.00 0.00 H new ATOM 0 HB2 GLU A 422 -3.219 6.059 -3.895 1.00 0.00 H new ATOM 0 HB3 GLU A 422 -3.864 7.648 -3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 422 -4.950 5.653 -5.545 1.00 0.00 H new ATOM 0 HG3 GLU A 422 -5.689 6.130 -4.029 1.00 0.00 H new ATOM 809 N LEU A 423 -0.699 7.767 -4.244 1.00 0.00 N ATOM 810 CA LEU A 423 0.392 8.489 -3.595 1.00 0.00 C ATOM 811 C LEU A 423 1.153 9.322 -4.613 1.00 0.00 C ATOM 812 O LEU A 423 1.569 10.444 -4.331 1.00 0.00 O ATOM 813 CB LEU A 423 1.350 7.513 -2.909 1.00 0.00 C ATOM 814 CG LEU A 423 0.983 7.151 -1.471 1.00 0.00 C ATOM 815 CD1 LEU A 423 0.953 8.395 -0.597 1.00 0.00 C ATOM 816 CD2 LEU A 423 -0.357 6.434 -1.433 1.00 0.00 C ATOM 0 H LEU A 423 -0.579 6.754 -4.270 1.00 0.00 H new ATOM 0 HA LEU A 423 -0.038 9.150 -2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 423 1.395 6.597 -3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 423 2.351 7.945 -2.915 1.00 0.00 H new ATOM 0 HG LEU A 423 1.745 6.478 -1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 423 0.690 8.116 0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 423 1.935 8.867 -0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 423 0.212 9.094 -0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 423 -0.606 6.182 -0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 423 -1.129 7.084 -1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 423 -0.298 5.521 -2.025 1.00 0.00 H new ATOM 828 N ASP A 424 1.329 8.760 -5.801 1.00 0.00 N ATOM 829 CA ASP A 424 2.040 9.445 -6.874 1.00 0.00 C ATOM 830 C ASP A 424 1.383 10.784 -7.211 1.00 0.00 C ATOM 831 O ASP A 424 2.005 11.652 -7.821 1.00 0.00 O ATOM 832 CB ASP A 424 2.091 8.562 -8.122 1.00 0.00 C ATOM 833 CG ASP A 424 3.316 7.671 -8.150 1.00 0.00 C ATOM 834 OD1 ASP A 424 3.767 7.247 -7.064 1.00 0.00 O ATOM 835 OD2 ASP A 424 3.826 7.395 -9.256 1.00 0.00 O ATOM 0 H ASP A 424 0.989 7.830 -6.047 1.00 0.00 H new ATOM 0 HA ASP A 424 3.055 9.642 -6.529 1.00 0.00 H new ATOM 0 HB2 ASP A 424 1.194 7.944 -8.163 1.00 0.00 H new ATOM 0 HB3 ASP A 424 2.084 9.193 -9.011 1.00 0.00 H new ATOM 840 N SER A 425 0.120 10.944 -6.817 1.00 0.00 N ATOM 841 CA SER A 425 -0.614 12.175 -7.090 1.00 0.00 C ATOM 842 C SER A 425 -0.534 13.153 -5.917 1.00 0.00 C ATOM 843 O SER A 425 -0.744 14.353 -6.089 1.00 0.00 O ATOM 844 CB SER A 425 -2.077 11.858 -7.401 1.00 0.00 C ATOM 845 OG SER A 425 -2.273 11.669 -8.792 1.00 0.00 O ATOM 0 H SER A 425 -0.413 10.238 -6.309 1.00 0.00 H new ATOM 0 HA SER A 425 -0.151 12.649 -7.955 1.00 0.00 H new ATOM 0 HB2 SER A 425 -2.380 10.960 -6.862 1.00 0.00 H new ATOM 0 HB3 SER A 425 -2.712 12.671 -7.048 1.00 0.00 H new ATOM 0 HG SER A 425 -3.216 11.466 -8.965 1.00 0.00 H new ATOM 851 N VAL A 426 -0.237 12.640 -4.724 1.00 0.00 N ATOM 852 CA VAL A 426 -0.142 13.485 -3.536 1.00 0.00 C ATOM 853 C VAL A 426 0.810 14.657 -3.762 1.00 0.00 C ATOM 854 O VAL A 426 1.818 14.525 -4.457 1.00 0.00 O ATOM 855 CB VAL A 426 0.314 12.681 -2.298 1.00 0.00 C ATOM 856 CG1 VAL A 426 1.787 12.309 -2.394 1.00 0.00 C ATOM 857 CG2 VAL A 426 0.041 13.469 -1.027 1.00 0.00 C ATOM 0 H VAL A 426 -0.059 11.650 -4.555 1.00 0.00 H new ATOM 0 HA VAL A 426 -1.143 13.873 -3.348 1.00 0.00 H new ATOM 0 HB VAL A 426 -0.260 11.755 -2.265 1.00 0.00 H new ATOM 0 HG11 VAL A 426 2.078 11.744 -1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 426 1.951 11.700 -3.283 1.00 0.00 H new ATOM 0 HG13 VAL A 426 2.388 13.216 -2.459 1.00 0.00 H new ATOM 0 HG21 VAL A 426 0.367 12.890 -0.163 1.00 0.00 H new ATOM 0 HG22 VAL A 426 0.587 14.412 -1.059 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -1.027 13.671 -0.946 1.00 0.00 H new ATOM 867 N GLU A 427 0.483 15.804 -3.175 1.00 0.00 N ATOM 868 CA GLU A 427 1.308 17.000 -3.317 1.00 0.00 C ATOM 869 C GLU A 427 2.474 16.985 -2.331 1.00 0.00 C ATOM 870 O GLU A 427 2.403 17.594 -1.264 1.00 0.00 O ATOM 871 CB GLU A 427 0.462 18.256 -3.104 1.00 0.00 C ATOM 872 CG GLU A 427 -0.244 18.735 -4.361 1.00 0.00 C ATOM 873 CD GLU A 427 -1.198 17.699 -4.925 1.00 0.00 C ATOM 874 OE1 GLU A 427 -2.099 17.257 -4.184 1.00 0.00 O ATOM 875 OE2 GLU A 427 -1.042 17.332 -6.108 1.00 0.00 O ATOM 0 H GLU A 427 -0.347 15.931 -2.596 1.00 0.00 H new ATOM 0 HA GLU A 427 1.715 17.009 -4.328 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -0.282 18.056 -2.333 1.00 0.00 H new ATOM 0 HB3 GLU A 427 1.102 19.055 -2.730 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -0.796 19.648 -4.138 1.00 0.00 H new ATOM 0 HG3 GLU A 427 0.499 18.988 -5.117 1.00 0.00 H new ATOM 882 N THR A 428 3.545 16.292 -2.698 1.00 0.00 N ATOM 883 CA THR A 428 4.726 16.205 -1.846 1.00 0.00 C ATOM 884 C THR A 428 5.808 17.170 -2.319 1.00 0.00 C ATOM 885 O THR A 428 7.001 16.909 -2.160 1.00 0.00 O ATOM 886 CB THR A 428 5.270 14.776 -1.834 1.00 0.00 C ATOM 887 OG1 THR A 428 6.496 14.710 -1.127 1.00 0.00 O ATOM 888 CG2 THR A 428 5.508 14.215 -3.219 1.00 0.00 C ATOM 0 H THR A 428 3.621 15.783 -3.578 1.00 0.00 H new ATOM 0 HA THR A 428 4.434 16.482 -0.833 1.00 0.00 H new ATOM 0 HB THR A 428 4.500 14.179 -1.345 1.00 0.00 H new ATOM 0 HG1 THR A 428 7.125 15.362 -1.501 1.00 0.00 H new ATOM 0 HG21 THR A 428 5.894 13.199 -3.139 1.00 0.00 H new ATOM 0 HG22 THR A 428 4.570 14.204 -3.773 1.00 0.00 H new ATOM 0 HG23 THR A 428 6.232 14.837 -3.744 1.00 0.00 H new ATOM 896 N GLY A 429 5.384 18.286 -2.903 1.00 0.00 N ATOM 897 CA GLY A 429 6.328 19.273 -3.392 1.00 0.00 C ATOM 898 C GLY A 429 6.794 20.220 -2.304 1.00 0.00 C ATOM 899 O GLY A 429 6.305 21.346 -2.201 1.00 0.00 O ATOM 0 H GLY A 429 4.403 18.524 -3.046 1.00 0.00 H new ATOM 0 HA2 GLY A 429 7.191 18.764 -3.820 1.00 0.00 H new ATOM 0 HA3 GLY A 429 5.865 19.847 -4.195 1.00 0.00 H new ATOM 903 N GLY A 430 7.741 19.765 -1.491 1.00 0.00 N ATOM 904 CA GLY A 430 8.257 20.593 -0.416 1.00 0.00 C ATOM 905 C GLY A 430 7.554 20.337 0.902 1.00 0.00 C ATOM 906 O GLY A 430 6.863 21.212 1.424 1.00 0.00 O ATOM 0 H GLY A 430 8.161 18.838 -1.557 1.00 0.00 H new ATOM 0 HA2 GLY A 430 9.324 20.405 -0.297 1.00 0.00 H new ATOM 0 HA3 GLY A 430 8.146 21.643 -0.685 1.00 0.00 H new ATOM 910 N GLN A 431 7.733 19.136 1.443 1.00 0.00 N ATOM 911 CA GLN A 431 7.111 18.768 2.709 1.00 0.00 C ATOM 912 C GLN A 431 7.828 17.579 3.340 1.00 0.00 C ATOM 913 O GLN A 431 7.685 16.443 2.886 1.00 0.00 O ATOM 914 CB GLN A 431 5.633 18.436 2.498 1.00 0.00 C ATOM 915 CG GLN A 431 4.712 19.636 2.650 1.00 0.00 C ATOM 916 CD GLN A 431 4.037 20.023 1.347 1.00 0.00 C ATOM 917 OE1 GLN A 431 3.349 19.214 0.727 1.00 0.00 O ATOM 918 NE2 GLN A 431 4.233 21.267 0.928 1.00 0.00 N ATOM 0 H GLN A 431 8.304 18.402 1.024 1.00 0.00 H new ATOM 0 HA GLN A 431 7.190 19.618 3.386 1.00 0.00 H new ATOM 0 HB2 GLN A 431 5.503 18.013 1.502 1.00 0.00 H new ATOM 0 HB3 GLN A 431 5.336 17.668 3.212 1.00 0.00 H new ATOM 0 HG2 GLN A 431 3.950 19.412 3.397 1.00 0.00 H new ATOM 0 HG3 GLN A 431 5.285 20.484 3.024 1.00 0.00 H new ATOM 0 HE21 GLN A 431 4.812 21.904 1.475 1.00 0.00 H new ATOM 0 HE22 GLN A 431 3.805 21.586 0.059 1.00 0.00 H new ATOM 927 N ASP A 432 8.599 17.848 4.388 1.00 0.00 N ATOM 928 CA ASP A 432 9.340 16.801 5.081 1.00 0.00 C ATOM 929 C ASP A 432 8.395 15.730 5.622 1.00 0.00 C ATOM 930 O ASP A 432 8.739 14.549 5.666 1.00 0.00 O ATOM 931 CB ASP A 432 10.158 17.400 6.227 1.00 0.00 C ATOM 932 CG ASP A 432 11.509 16.728 6.385 1.00 0.00 C ATOM 933 OD1 ASP A 432 11.548 15.583 6.883 1.00 0.00 O ATOM 934 OD2 ASP A 432 12.527 17.348 6.012 1.00 0.00 O ATOM 0 H ASP A 432 8.727 18.783 4.776 1.00 0.00 H new ATOM 0 HA ASP A 432 10.016 16.335 4.364 1.00 0.00 H new ATOM 0 HB2 ASP A 432 10.304 18.465 6.048 1.00 0.00 H new ATOM 0 HB3 ASP A 432 9.598 17.307 7.157 1.00 0.00 H new ATOM 939 N SER A 433 7.203 16.153 6.031 1.00 0.00 N ATOM 940 CA SER A 433 6.210 15.231 6.568 1.00 0.00 C ATOM 941 C SER A 433 5.811 14.193 5.524 1.00 0.00 C ATOM 942 O SER A 433 6.000 12.991 5.722 1.00 0.00 O ATOM 943 CB SER A 433 4.973 15.998 7.039 1.00 0.00 C ATOM 944 OG SER A 433 4.445 15.436 8.228 1.00 0.00 O ATOM 0 H SER A 433 6.902 17.127 6.001 1.00 0.00 H new ATOM 0 HA SER A 433 6.654 14.713 7.418 1.00 0.00 H new ATOM 0 HB2 SER A 433 5.233 17.042 7.211 1.00 0.00 H new ATOM 0 HB3 SER A 433 4.213 15.983 6.258 1.00 0.00 H new ATOM 0 HG SER A 433 3.656 15.946 8.509 1.00 0.00 H new ATOM 950 N VAL A 434 5.260 14.665 4.410 1.00 0.00 N ATOM 951 CA VAL A 434 4.836 13.777 3.335 1.00 0.00 C ATOM 952 C VAL A 434 6.013 12.964 2.809 1.00 0.00 C ATOM 953 O VAL A 434 5.856 11.804 2.428 1.00 0.00 O ATOM 954 CB VAL A 434 4.202 14.556 2.166 1.00 0.00 C ATOM 955 CG1 VAL A 434 3.554 13.596 1.181 1.00 0.00 C ATOM 956 CG2 VAL A 434 3.188 15.570 2.680 1.00 0.00 C ATOM 0 H VAL A 434 5.097 15.656 4.229 1.00 0.00 H new ATOM 0 HA VAL A 434 4.086 13.108 3.756 1.00 0.00 H new ATOM 0 HB VAL A 434 4.990 15.102 1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 434 3.110 14.161 0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 434 4.308 12.915 0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 434 2.778 13.023 1.688 1.00 0.00 H new ATOM 0 HG21 VAL A 434 2.753 16.108 1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 434 2.400 15.052 3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 434 3.685 16.277 3.345 1.00 0.00 H new ATOM 966 N ARG A 435 7.192 13.578 2.796 1.00 0.00 N ATOM 967 CA ARG A 435 8.395 12.905 2.323 1.00 0.00 C ATOM 968 C ARG A 435 8.672 11.659 3.157 1.00 0.00 C ATOM 969 O ARG A 435 8.839 10.563 2.620 1.00 0.00 O ATOM 970 CB ARG A 435 9.595 13.855 2.381 1.00 0.00 C ATOM 971 CG ARG A 435 9.994 14.411 1.022 1.00 0.00 C ATOM 972 CD ARG A 435 11.455 14.131 0.707 1.00 0.00 C ATOM 973 NE ARG A 435 11.652 13.753 -0.690 1.00 0.00 N ATOM 974 CZ ARG A 435 11.618 14.615 -1.703 1.00 0.00 C ATOM 975 NH1 ARG A 435 11.393 15.904 -1.480 1.00 0.00 N ATOM 976 NH2 ARG A 435 11.807 14.187 -2.943 1.00 0.00 N ATOM 0 H ARG A 435 7.339 14.538 3.107 1.00 0.00 H new ATOM 0 HA ARG A 435 8.236 12.603 1.288 1.00 0.00 H new ATOM 0 HB2 ARG A 435 9.361 14.684 3.049 1.00 0.00 H new ATOM 0 HB3 ARG A 435 10.445 13.328 2.813 1.00 0.00 H new ATOM 0 HG2 ARG A 435 9.364 13.970 0.249 1.00 0.00 H new ATOM 0 HG3 ARG A 435 9.817 15.486 1.002 1.00 0.00 H new ATOM 0 HD2 ARG A 435 12.050 15.017 0.930 1.00 0.00 H new ATOM 0 HD3 ARG A 435 11.818 13.332 1.353 1.00 0.00 H new ATOM 0 HE ARG A 435 11.826 12.770 -0.901 1.00 0.00 H new ATOM 0 HH11 ARG A 435 11.245 16.239 -0.528 1.00 0.00 H new ATOM 0 HH12 ARG A 435 11.368 16.560 -2.261 1.00 0.00 H new ATOM 0 HH21 ARG A 435 11.978 13.197 -3.120 1.00 0.00 H new ATOM 0 HH22 ARG A 435 11.781 14.847 -3.720 1.00 0.00 H new ATOM 990 N GLN A 436 8.708 11.833 4.475 1.00 0.00 N ATOM 991 CA GLN A 436 8.951 10.721 5.385 1.00 0.00 C ATOM 992 C GLN A 436 7.878 9.651 5.215 1.00 0.00 C ATOM 993 O GLN A 436 8.183 8.474 5.032 1.00 0.00 O ATOM 994 CB GLN A 436 8.978 11.212 6.833 1.00 0.00 C ATOM 995 CG GLN A 436 9.592 10.214 7.801 1.00 0.00 C ATOM 996 CD GLN A 436 8.890 10.197 9.145 1.00 0.00 C ATOM 997 OE1 GLN A 436 7.660 10.238 9.216 1.00 0.00 O ATOM 998 NE2 GLN A 436 9.667 10.138 10.218 1.00 0.00 N ATOM 0 H GLN A 436 8.572 12.733 4.935 1.00 0.00 H new ATOM 0 HA GLN A 436 9.921 10.286 5.145 1.00 0.00 H new ATOM 0 HB2 GLN A 436 9.539 12.145 6.881 1.00 0.00 H new ATOM 0 HB3 GLN A 436 7.960 11.436 7.151 1.00 0.00 H new ATOM 0 HG2 GLN A 436 9.553 9.217 7.362 1.00 0.00 H new ATOM 0 HG3 GLN A 436 10.644 10.457 7.948 1.00 0.00 H new ATOM 0 HE21 GLN A 436 10.681 10.106 10.112 1.00 0.00 H new ATOM 0 HE22 GLN A 436 9.251 10.125 11.149 1.00 0.00 H new ATOM 1007 N ALA A 437 6.618 10.075 5.267 1.00 0.00 N ATOM 1008 CA ALA A 437 5.500 9.155 5.108 1.00 0.00 C ATOM 1009 C ALA A 437 5.544 8.490 3.737 1.00 0.00 C ATOM 1010 O ALA A 437 5.173 7.326 3.587 1.00 0.00 O ATOM 1011 CB ALA A 437 4.180 9.886 5.303 1.00 0.00 C ATOM 0 H ALA A 437 6.348 11.047 5.418 1.00 0.00 H new ATOM 0 HA ALA A 437 5.582 8.379 5.869 1.00 0.00 H new ATOM 0 HB1 ALA A 437 3.354 9.185 5.181 1.00 0.00 H new ATOM 0 HB2 ALA A 437 4.146 10.316 6.304 1.00 0.00 H new ATOM 0 HB3 ALA A 437 4.092 10.682 4.564 1.00 0.00 H new ATOM 1017 N ARG A 438 6.011 9.239 2.740 1.00 0.00 N ATOM 1018 CA ARG A 438 6.114 8.722 1.382 1.00 0.00 C ATOM 1019 C ARG A 438 7.062 7.530 1.341 1.00 0.00 C ATOM 1020 O ARG A 438 6.692 6.445 0.891 1.00 0.00 O ATOM 1021 CB ARG A 438 6.605 9.814 0.429 1.00 0.00 C ATOM 1022 CG ARG A 438 6.649 9.376 -1.026 1.00 0.00 C ATOM 1023 CD ARG A 438 5.260 9.361 -1.648 1.00 0.00 C ATOM 1024 NE ARG A 438 4.955 8.078 -2.276 1.00 0.00 N ATOM 1025 CZ ARG A 438 5.386 7.723 -3.484 1.00 0.00 C ATOM 1026 NH1 ARG A 438 6.142 8.548 -4.198 1.00 0.00 N ATOM 1027 NH2 ARG A 438 5.061 6.535 -3.981 1.00 0.00 N ATOM 0 H ARG A 438 6.323 10.204 2.849 1.00 0.00 H new ATOM 0 HA ARG A 438 5.124 8.397 1.061 1.00 0.00 H new ATOM 0 HB2 ARG A 438 5.953 10.683 0.519 1.00 0.00 H new ATOM 0 HB3 ARG A 438 7.602 10.130 0.735 1.00 0.00 H new ATOM 0 HG2 ARG A 438 7.294 10.050 -1.590 1.00 0.00 H new ATOM 0 HG3 ARG A 438 7.090 8.381 -1.094 1.00 0.00 H new ATOM 0 HD2 ARG A 438 4.517 9.574 -0.880 1.00 0.00 H new ATOM 0 HD3 ARG A 438 5.187 10.155 -2.391 1.00 0.00 H new ATOM 0 HE ARG A 438 4.378 7.415 -1.758 1.00 0.00 H new ATOM 0 HH11 ARG A 438 6.396 9.461 -3.822 1.00 0.00 H new ATOM 0 HH12 ARG A 438 6.469 8.269 -5.123 1.00 0.00 H new ATOM 0 HH21 ARG A 438 4.482 5.896 -3.437 1.00 0.00 H new ATOM 0 HH22 ARG A 438 5.391 6.262 -4.907 1.00 0.00 H new ATOM 1041 N LYS A 439 8.284 7.734 1.825 1.00 0.00 N ATOM 1042 CA LYS A 439 9.279 6.669 1.855 1.00 0.00 C ATOM 1043 C LYS A 439 8.753 5.479 2.650 1.00 0.00 C ATOM 1044 O LYS A 439 8.867 4.330 2.221 1.00 0.00 O ATOM 1045 CB LYS A 439 10.586 7.176 2.470 1.00 0.00 C ATOM 1046 CG LYS A 439 11.616 7.606 1.438 1.00 0.00 C ATOM 1047 CD LYS A 439 11.443 9.066 1.050 1.00 0.00 C ATOM 1048 CE LYS A 439 11.888 9.319 -0.380 1.00 0.00 C ATOM 1049 NZ LYS A 439 13.200 8.683 -0.675 1.00 0.00 N ATOM 0 H LYS A 439 8.608 8.625 2.201 1.00 0.00 H new ATOM 0 HA LYS A 439 9.476 6.350 0.832 1.00 0.00 H new ATOM 0 HB2 LYS A 439 10.367 8.019 3.126 1.00 0.00 H new ATOM 0 HB3 LYS A 439 11.014 6.390 3.093 1.00 0.00 H new ATOM 0 HG2 LYS A 439 12.618 7.451 1.837 1.00 0.00 H new ATOM 0 HG3 LYS A 439 11.526 6.980 0.550 1.00 0.00 H new ATOM 0 HD2 LYS A 439 10.397 9.352 1.163 1.00 0.00 H new ATOM 0 HD3 LYS A 439 12.020 9.695 1.728 1.00 0.00 H new ATOM 0 HE2 LYS A 439 11.135 8.934 -1.068 1.00 0.00 H new ATOM 0 HE3 LYS A 439 11.958 10.393 -0.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 439 13.588 9.079 -1.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 439 13.859 8.868 0.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 439 13.072 7.657 -0.785 1.00 0.00 H new ATOM 1063 N GLU A 440 8.160 5.768 3.804 1.00 0.00 N ATOM 1064 CA GLU A 440 7.599 4.728 4.656 1.00 0.00 C ATOM 1065 C GLU A 440 6.515 3.961 3.906 1.00 0.00 C ATOM 1066 O GLU A 440 6.479 2.730 3.927 1.00 0.00 O ATOM 1067 CB GLU A 440 7.023 5.344 5.934 1.00 0.00 C ATOM 1068 CG GLU A 440 6.317 4.341 6.834 1.00 0.00 C ATOM 1069 CD GLU A 440 5.791 4.971 8.108 1.00 0.00 C ATOM 1070 OE1 GLU A 440 4.988 5.923 8.013 1.00 0.00 O ATOM 1071 OE2 GLU A 440 6.183 4.515 9.202 1.00 0.00 O ATOM 0 H GLU A 440 8.056 6.714 4.170 1.00 0.00 H new ATOM 0 HA GLU A 440 8.393 4.034 4.930 1.00 0.00 H new ATOM 0 HB2 GLU A 440 7.830 5.816 6.494 1.00 0.00 H new ATOM 0 HB3 GLU A 440 6.320 6.132 5.662 1.00 0.00 H new ATOM 0 HG2 GLU A 440 5.489 3.888 6.288 1.00 0.00 H new ATOM 0 HG3 GLU A 440 7.008 3.538 7.089 1.00 0.00 H new ATOM 1078 N ALA A 441 5.639 4.701 3.231 1.00 0.00 N ATOM 1079 CA ALA A 441 4.562 4.094 2.462 1.00 0.00 C ATOM 1080 C ALA A 441 5.127 3.214 1.355 1.00 0.00 C ATOM 1081 O ALA A 441 4.638 2.111 1.114 1.00 0.00 O ATOM 1082 CB ALA A 441 3.658 5.170 1.877 1.00 0.00 C ATOM 0 H ALA A 441 5.656 5.720 3.202 1.00 0.00 H new ATOM 0 HA ALA A 441 3.970 3.469 3.130 1.00 0.00 H new ATOM 0 HB1 ALA A 441 2.858 4.701 1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 441 3.228 5.762 2.685 1.00 0.00 H new ATOM 0 HB3 ALA A 441 4.240 5.818 1.222 1.00 0.00 H new ATOM 1088 N VAL A 442 6.169 3.707 0.690 1.00 0.00 N ATOM 1089 CA VAL A 442 6.811 2.964 -0.384 1.00 0.00 C ATOM 1090 C VAL A 442 7.381 1.651 0.140 1.00 0.00 C ATOM 1091 O VAL A 442 7.297 0.616 -0.519 1.00 0.00 O ATOM 1092 CB VAL A 442 7.941 3.778 -1.042 1.00 0.00 C ATOM 1093 CG1 VAL A 442 8.481 3.053 -2.265 1.00 0.00 C ATOM 1094 CG2 VAL A 442 7.451 5.172 -1.410 1.00 0.00 C ATOM 0 H VAL A 442 6.585 4.619 0.878 1.00 0.00 H new ATOM 0 HA VAL A 442 6.047 2.760 -1.134 1.00 0.00 H new ATOM 0 HB VAL A 442 8.754 3.882 -0.324 1.00 0.00 H new ATOM 0 HG11 VAL A 442 9.278 3.644 -2.716 1.00 0.00 H new ATOM 0 HG12 VAL A 442 8.874 2.081 -1.968 1.00 0.00 H new ATOM 0 HG13 VAL A 442 7.678 2.914 -2.989 1.00 0.00 H new ATOM 0 HG21 VAL A 442 8.263 5.732 -1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 442 6.619 5.092 -2.110 1.00 0.00 H new ATOM 0 HG23 VAL A 442 7.120 5.691 -0.510 1.00 0.00 H new ATOM 1104 N CYS A 443 7.954 1.702 1.338 1.00 0.00 N ATOM 1105 CA CYS A 443 8.529 0.516 1.958 1.00 0.00 C ATOM 1106 C CYS A 443 7.435 -0.501 2.267 1.00 0.00 C ATOM 1107 O CYS A 443 7.589 -1.692 2.005 1.00 0.00 O ATOM 1108 CB CYS A 443 9.274 0.890 3.239 1.00 0.00 C ATOM 1109 SG CYS A 443 10.868 1.697 2.957 1.00 0.00 S ATOM 0 H CYS A 443 8.032 2.551 1.898 1.00 0.00 H new ATOM 0 HA CYS A 443 9.238 0.071 1.260 1.00 0.00 H new ATOM 0 HB2 CYS A 443 8.644 1.552 3.833 1.00 0.00 H new ATOM 0 HB3 CYS A 443 9.435 -0.012 3.830 1.00 0.00 H new ATOM 0 HG CYS A 443 10.672 2.923 2.571 1.00 0.00 H new ATOM 1115 N LYS A 444 6.329 -0.014 2.822 1.00 0.00 N ATOM 1116 CA LYS A 444 5.199 -0.869 3.166 1.00 0.00 C ATOM 1117 C LYS A 444 4.592 -1.494 1.915 1.00 0.00 C ATOM 1118 O LYS A 444 4.550 -2.717 1.782 1.00 0.00 O ATOM 1119 CB LYS A 444 4.136 -0.066 3.918 1.00 0.00 C ATOM 1120 CG LYS A 444 4.323 -0.073 5.426 1.00 0.00 C ATOM 1121 CD LYS A 444 3.087 0.450 6.143 1.00 0.00 C ATOM 1122 CE LYS A 444 2.812 -0.328 7.418 1.00 0.00 C ATOM 1123 NZ LYS A 444 3.425 0.323 8.609 1.00 0.00 N ATOM 0 H LYS A 444 6.192 0.972 3.044 1.00 0.00 H new ATOM 0 HA LYS A 444 5.562 -1.669 3.811 1.00 0.00 H new ATOM 0 HB2 LYS A 444 4.152 0.964 3.563 1.00 0.00 H new ATOM 0 HB3 LYS A 444 3.152 -0.470 3.680 1.00 0.00 H new ATOM 0 HG2 LYS A 444 4.538 -1.087 5.762 1.00 0.00 H new ATOM 0 HG3 LYS A 444 5.185 0.540 5.690 1.00 0.00 H new ATOM 0 HD2 LYS A 444 3.223 1.505 6.381 1.00 0.00 H new ATOM 0 HD3 LYS A 444 2.224 0.381 5.480 1.00 0.00 H new ATOM 0 HE2 LYS A 444 1.735 -0.415 7.565 1.00 0.00 H new ATOM 0 HE3 LYS A 444 3.202 -1.341 7.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 444 3.214 -0.239 9.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 444 4.455 0.383 8.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 444 3.034 1.280 8.721 1.00 0.00 H new ATOM 1137 N ILE A 445 4.124 -0.651 0.995 1.00 0.00 N ATOM 1138 CA ILE A 445 3.526 -1.134 -0.246 1.00 0.00 C ATOM 1139 C ILE A 445 4.446 -2.137 -0.932 1.00 0.00 C ATOM 1140 O ILE A 445 4.011 -3.210 -1.354 1.00 0.00 O ATOM 1141 CB ILE A 445 3.211 0.020 -1.219 1.00 0.00 C ATOM 1142 CG1 ILE A 445 4.458 0.872 -1.463 1.00 0.00 C ATOM 1143 CG2 ILE A 445 2.076 0.874 -0.678 1.00 0.00 C ATOM 1144 CD1 ILE A 445 5.239 0.462 -2.691 1.00 0.00 C ATOM 0 H ILE A 445 4.148 0.365 1.086 1.00 0.00 H new ATOM 0 HA ILE A 445 2.589 -1.622 0.022 1.00 0.00 H new ATOM 0 HB ILE A 445 2.897 -0.406 -2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 445 4.161 1.916 -1.563 1.00 0.00 H new ATOM 0 HG13 ILE A 445 5.108 0.808 -0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 445 1.866 1.684 -1.376 1.00 0.00 H new ATOM 0 HG22 ILE A 445 1.184 0.259 -0.556 1.00 0.00 H new ATOM 0 HG23 ILE A 445 2.363 1.292 0.287 1.00 0.00 H new ATOM 0 HD11 ILE A 445 6.109 1.109 -2.802 1.00 0.00 H new ATOM 0 HD12 ILE A 445 5.567 -0.572 -2.585 1.00 0.00 H new ATOM 0 HD13 ILE A 445 4.605 0.553 -3.573 1.00 0.00 H new ATOM 1156 N GLN A 446 5.728 -1.792 -1.019 1.00 0.00 N ATOM 1157 CA GLN A 446 6.711 -2.676 -1.629 1.00 0.00 C ATOM 1158 C GLN A 446 6.925 -3.896 -0.742 1.00 0.00 C ATOM 1159 O GLN A 446 7.198 -4.993 -1.227 1.00 0.00 O ATOM 1160 CB GLN A 446 8.035 -1.939 -1.841 1.00 0.00 C ATOM 1161 CG GLN A 446 9.045 -2.727 -2.659 1.00 0.00 C ATOM 1162 CD GLN A 446 10.291 -1.926 -2.977 1.00 0.00 C ATOM 1163 OE1 GLN A 446 10.360 -0.728 -2.700 1.00 0.00 O ATOM 1164 NE2 GLN A 446 11.285 -2.584 -3.561 1.00 0.00 N ATOM 0 H GLN A 446 6.107 -0.910 -0.676 1.00 0.00 H new ATOM 0 HA GLN A 446 6.339 -3.000 -2.601 1.00 0.00 H new ATOM 0 HB2 GLN A 446 7.837 -0.990 -2.339 1.00 0.00 H new ATOM 0 HB3 GLN A 446 8.470 -1.704 -0.870 1.00 0.00 H new ATOM 0 HG2 GLN A 446 9.326 -3.627 -2.112 1.00 0.00 H new ATOM 0 HG3 GLN A 446 8.579 -3.051 -3.589 1.00 0.00 H new ATOM 0 HE21 GLN A 446 11.185 -3.577 -3.772 1.00 0.00 H new ATOM 0 HE22 GLN A 446 12.149 -2.097 -3.798 1.00 0.00 H new ATOM 1173 N ALA A 447 6.781 -3.691 0.564 1.00 0.00 N ATOM 1174 CA ALA A 447 6.939 -4.764 1.535 1.00 0.00 C ATOM 1175 C ALA A 447 5.820 -5.789 1.382 1.00 0.00 C ATOM 1176 O ALA A 447 6.075 -6.982 1.211 1.00 0.00 O ATOM 1177 CB ALA A 447 6.951 -4.192 2.947 1.00 0.00 C ATOM 0 H ALA A 447 6.554 -2.785 0.974 1.00 0.00 H new ATOM 0 HA ALA A 447 7.889 -5.266 1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 447 7.070 -5.002 3.667 1.00 0.00 H new ATOM 0 HB2 ALA A 447 7.780 -3.492 3.049 1.00 0.00 H new ATOM 0 HB3 ALA A 447 6.012 -3.672 3.137 1.00 0.00 H new ATOM 1183 N ILE A 448 4.582 -5.309 1.432 1.00 0.00 N ATOM 1184 CA ILE A 448 3.418 -6.173 1.288 1.00 0.00 C ATOM 1185 C ILE A 448 3.435 -6.871 -0.068 1.00 0.00 C ATOM 1186 O ILE A 448 3.122 -8.057 -0.171 1.00 0.00 O ATOM 1187 CB ILE A 448 2.107 -5.375 1.443 1.00 0.00 C ATOM 1188 CG1 ILE A 448 0.889 -6.290 1.289 1.00 0.00 C ATOM 1189 CG2 ILE A 448 2.053 -4.241 0.431 1.00 0.00 C ATOM 1190 CD1 ILE A 448 -0.385 -5.695 1.842 1.00 0.00 C ATOM 0 H ILE A 448 4.359 -4.323 1.572 1.00 0.00 H new ATOM 0 HA ILE A 448 3.464 -6.922 2.079 1.00 0.00 H new ATOM 0 HB ILE A 448 2.085 -4.948 2.446 1.00 0.00 H new ATOM 0 HG12 ILE A 448 0.746 -6.517 0.232 1.00 0.00 H new ATOM 0 HG13 ILE A 448 1.088 -7.235 1.794 1.00 0.00 H new ATOM 0 HG21 ILE A 448 1.122 -3.688 0.554 1.00 0.00 H new ATOM 0 HG22 ILE A 448 2.897 -3.570 0.591 1.00 0.00 H new ATOM 0 HG23 ILE A 448 2.101 -4.651 -0.578 1.00 0.00 H new ATOM 0 HD11 ILE A 448 -1.206 -6.397 1.699 1.00 0.00 H new ATOM 0 HD12 ILE A 448 -0.261 -5.494 2.906 1.00 0.00 H new ATOM 0 HD13 ILE A 448 -0.608 -4.764 1.320 1.00 0.00 H new ATOM 1202 N LEU A 449 3.814 -6.129 -1.105 1.00 0.00 N ATOM 1203 CA LEU A 449 3.883 -6.683 -2.452 1.00 0.00 C ATOM 1204 C LEU A 449 4.874 -7.842 -2.503 1.00 0.00 C ATOM 1205 O LEU A 449 4.558 -8.921 -3.003 1.00 0.00 O ATOM 1206 CB LEU A 449 4.291 -5.598 -3.454 1.00 0.00 C ATOM 1207 CG LEU A 449 3.213 -5.216 -4.469 1.00 0.00 C ATOM 1208 CD1 LEU A 449 2.135 -4.371 -3.809 1.00 0.00 C ATOM 1209 CD2 LEU A 449 3.829 -4.474 -5.645 1.00 0.00 C ATOM 0 H LEU A 449 4.077 -5.146 -1.038 1.00 0.00 H new ATOM 0 HA LEU A 449 2.895 -7.057 -2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 449 4.581 -4.705 -2.901 1.00 0.00 H new ATOM 0 HB3 LEU A 449 5.174 -5.938 -3.995 1.00 0.00 H new ATOM 0 HG LEU A 449 2.751 -6.130 -4.843 1.00 0.00 H new ATOM 0 HD11 LEU A 449 1.376 -4.108 -4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 449 1.674 -4.937 -2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 449 2.581 -3.461 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 449 3.048 -4.210 -6.358 1.00 0.00 H new ATOM 0 HD22 LEU A 449 4.317 -3.567 -5.288 1.00 0.00 H new ATOM 0 HD23 LEU A 449 4.565 -5.113 -6.133 1.00 0.00 H new ATOM 1221 N GLU A 450 6.073 -7.609 -1.973 1.00 0.00 N ATOM 1222 CA GLU A 450 7.109 -8.634 -1.949 1.00 0.00 C ATOM 1223 C GLU A 450 6.615 -9.877 -1.217 1.00 0.00 C ATOM 1224 O GLU A 450 6.786 -10.999 -1.692 1.00 0.00 O ATOM 1225 CB GLU A 450 8.374 -8.097 -1.275 1.00 0.00 C ATOM 1226 CG GLU A 450 9.311 -7.374 -2.227 1.00 0.00 C ATOM 1227 CD GLU A 450 10.633 -7.011 -1.580 1.00 0.00 C ATOM 1228 OE1 GLU A 450 11.027 -7.691 -0.609 1.00 0.00 O ATOM 1229 OE2 GLU A 450 11.276 -6.045 -2.044 1.00 0.00 O ATOM 0 H GLU A 450 6.349 -6.720 -1.556 1.00 0.00 H new ATOM 0 HA GLU A 450 7.346 -8.906 -2.978 1.00 0.00 H new ATOM 0 HB2 GLU A 450 8.087 -7.416 -0.474 1.00 0.00 H new ATOM 0 HB3 GLU A 450 8.909 -8.926 -0.812 1.00 0.00 H new ATOM 0 HG2 GLU A 450 9.497 -8.005 -3.096 1.00 0.00 H new ATOM 0 HG3 GLU A 450 8.827 -6.467 -2.589 1.00 0.00 H new ATOM 1236 N LYS A 451 5.995 -9.665 -0.059 1.00 0.00 N ATOM 1237 CA LYS A 451 5.467 -10.767 0.735 1.00 0.00 C ATOM 1238 C LYS A 451 4.426 -11.546 -0.061 1.00 0.00 C ATOM 1239 O LYS A 451 4.354 -12.772 0.023 1.00 0.00 O ATOM 1240 CB LYS A 451 4.849 -10.240 2.032 1.00 0.00 C ATOM 1241 CG LYS A 451 5.822 -10.205 3.199 1.00 0.00 C ATOM 1242 CD LYS A 451 5.507 -9.064 4.152 1.00 0.00 C ATOM 1243 CE LYS A 451 6.743 -8.624 4.921 1.00 0.00 C ATOM 1244 NZ LYS A 451 6.389 -7.848 6.143 1.00 0.00 N ATOM 0 H LYS A 451 5.847 -8.742 0.348 1.00 0.00 H new ATOM 0 HA LYS A 451 6.290 -11.437 0.984 1.00 0.00 H new ATOM 0 HB2 LYS A 451 4.465 -9.235 1.859 1.00 0.00 H new ATOM 0 HB3 LYS A 451 3.997 -10.865 2.299 1.00 0.00 H new ATOM 0 HG2 LYS A 451 5.781 -11.152 3.737 1.00 0.00 H new ATOM 0 HG3 LYS A 451 6.839 -10.096 2.823 1.00 0.00 H new ATOM 0 HD2 LYS A 451 5.106 -8.220 3.591 1.00 0.00 H new ATOM 0 HD3 LYS A 451 4.733 -9.377 4.853 1.00 0.00 H new ATOM 0 HE2 LYS A 451 7.326 -9.501 5.204 1.00 0.00 H new ATOM 0 HE3 LYS A 451 7.375 -8.015 4.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 451 7.258 -7.566 6.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 451 5.854 -6.998 5.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 451 5.807 -8.437 6.772 1.00 0.00 H new ATOM 1258 N LEU A 452 3.624 -10.823 -0.837 1.00 0.00 N ATOM 1259 CA LEU A 452 2.590 -11.445 -1.655 1.00 0.00 C ATOM 1260 C LEU A 452 3.210 -12.372 -2.694 1.00 0.00 C ATOM 1261 O LEU A 452 2.829 -13.536 -2.809 1.00 0.00 O ATOM 1262 CB LEU A 452 1.747 -10.372 -2.351 1.00 0.00 C ATOM 1263 CG LEU A 452 0.453 -9.994 -1.628 1.00 0.00 C ATOM 1264 CD1 LEU A 452 -0.248 -8.854 -2.349 1.00 0.00 C ATOM 1265 CD2 LEU A 452 -0.470 -11.199 -1.512 1.00 0.00 C ATOM 0 H LEU A 452 3.671 -9.807 -0.916 1.00 0.00 H new ATOM 0 HA LEU A 452 1.947 -12.035 -1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 452 2.354 -9.475 -2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 452 1.497 -10.722 -3.353 1.00 0.00 H new ATOM 0 HG LEU A 452 0.709 -9.661 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 452 -1.166 -8.599 -1.820 1.00 0.00 H new ATOM 0 HD12 LEU A 452 0.408 -7.984 -2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 452 -0.489 -9.161 -3.367 1.00 0.00 H new ATOM 0 HD21 LEU A 452 -1.384 -10.908 -0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 452 -0.717 -11.565 -2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 452 0.030 -11.988 -0.950 1.00 0.00 H new ATOM 1277 N GLU A 453 4.171 -11.847 -3.447 1.00 0.00 N ATOM 1278 CA GLU A 453 4.847 -12.626 -4.477 1.00 0.00 C ATOM 1279 C GLU A 453 5.543 -13.839 -3.868 1.00 0.00 C ATOM 1280 O GLU A 453 5.570 -14.916 -4.466 1.00 0.00 O ATOM 1281 CB GLU A 453 5.867 -11.758 -5.218 1.00 0.00 C ATOM 1282 CG GLU A 453 6.154 -12.233 -6.633 1.00 0.00 C ATOM 1283 CD GLU A 453 5.388 -11.446 -7.678 1.00 0.00 C ATOM 1284 OE1 GLU A 453 4.223 -11.082 -7.411 1.00 0.00 O ATOM 1285 OE2 GLU A 453 5.953 -11.193 -8.763 1.00 0.00 O ATOM 0 H GLU A 453 4.499 -10.885 -3.363 1.00 0.00 H new ATOM 0 HA GLU A 453 4.096 -12.975 -5.186 1.00 0.00 H new ATOM 0 HB2 GLU A 453 5.500 -10.732 -5.255 1.00 0.00 H new ATOM 0 HB3 GLU A 453 6.799 -11.743 -4.652 1.00 0.00 H new ATOM 0 HG2 GLU A 453 7.223 -12.149 -6.831 1.00 0.00 H new ATOM 0 HG3 GLU A 453 5.896 -13.289 -6.717 1.00 0.00 H new ATOM 1292 N LYS A 454 6.102 -13.659 -2.676 1.00 0.00 N ATOM 1293 CA LYS A 454 6.797 -14.741 -1.988 1.00 0.00 C ATOM 1294 C LYS A 454 5.816 -15.816 -1.533 1.00 0.00 C ATOM 1295 O LYS A 454 6.016 -17.003 -1.795 1.00 0.00 O ATOM 1296 CB LYS A 454 7.565 -14.194 -0.782 1.00 0.00 C ATOM 1297 CG LYS A 454 8.561 -15.180 -0.197 1.00 0.00 C ATOM 1298 CD LYS A 454 7.931 -16.021 0.903 1.00 0.00 C ATOM 1299 CE LYS A 454 7.480 -15.162 2.072 1.00 0.00 C ATOM 1300 NZ LYS A 454 7.284 -15.966 3.310 1.00 0.00 N ATOM 0 H LYS A 454 6.087 -12.775 -2.167 1.00 0.00 H new ATOM 0 HA LYS A 454 7.501 -15.190 -2.688 1.00 0.00 H new ATOM 0 HB2 LYS A 454 8.094 -13.289 -1.079 1.00 0.00 H new ATOM 0 HB3 LYS A 454 6.853 -13.907 -0.008 1.00 0.00 H new ATOM 0 HG2 LYS A 454 8.935 -15.832 -0.986 1.00 0.00 H new ATOM 0 HG3 LYS A 454 9.418 -14.639 0.203 1.00 0.00 H new ATOM 0 HD2 LYS A 454 7.078 -16.567 0.501 1.00 0.00 H new ATOM 0 HD3 LYS A 454 8.649 -16.763 1.251 1.00 0.00 H new ATOM 0 HE2 LYS A 454 8.221 -14.384 2.258 1.00 0.00 H new ATOM 0 HE3 LYS A 454 6.548 -14.659 1.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 454 6.977 -15.343 4.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 454 6.559 -16.692 3.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 454 8.180 -16.426 3.571 1.00 0.00 H new ATOM 1314 N LYS A 455 4.757 -15.395 -0.851 1.00 0.00 N ATOM 1315 CA LYS A 455 3.745 -16.324 -0.359 1.00 0.00 C ATOM 1316 C LYS A 455 2.944 -16.917 -1.513 1.00 0.00 C ATOM 1317 O LYS A 455 2.543 -18.080 -1.469 1.00 0.00 O ATOM 1318 CB LYS A 455 2.804 -15.615 0.618 1.00 0.00 C ATOM 1319 CG LYS A 455 2.256 -16.526 1.703 1.00 0.00 C ATOM 1320 CD LYS A 455 1.438 -15.749 2.723 1.00 0.00 C ATOM 1321 CE LYS A 455 1.055 -16.617 3.910 1.00 0.00 C ATOM 1322 NZ LYS A 455 -0.335 -17.140 3.791 1.00 0.00 N ATOM 0 H LYS A 455 4.576 -14.417 -0.626 1.00 0.00 H new ATOM 0 HA LYS A 455 4.255 -17.135 0.161 1.00 0.00 H new ATOM 0 HB2 LYS A 455 3.336 -14.786 1.085 1.00 0.00 H new ATOM 0 HB3 LYS A 455 1.971 -15.186 0.061 1.00 0.00 H new ATOM 0 HG2 LYS A 455 1.636 -17.300 1.251 1.00 0.00 H new ATOM 0 HG3 LYS A 455 3.080 -17.032 2.205 1.00 0.00 H new ATOM 0 HD2 LYS A 455 2.010 -14.889 3.070 1.00 0.00 H new ATOM 0 HD3 LYS A 455 0.536 -15.362 2.249 1.00 0.00 H new ATOM 0 HE2 LYS A 455 1.751 -17.452 3.989 1.00 0.00 H new ATOM 0 HE3 LYS A 455 1.147 -16.037 4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 -0.557 -17.727 4.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 -1.002 -16.344 3.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 -0.417 -17.715 2.928 1.00 0.00 H new ATOM 1336 N GLY A 456 2.717 -16.112 -2.546 1.00 0.00 N ATOM 1337 CA GLY A 456 1.965 -16.576 -3.697 1.00 0.00 C ATOM 1338 C GLY A 456 0.955 -15.554 -4.181 1.00 0.00 C ATOM 1339 O GLY A 456 -0.148 -15.488 -3.600 1.00 0.00 O ATOM 1340 OXT GLY A 456 1.268 -14.819 -5.141 1.00 0.00 O ATOM 0 H GLY A 456 3.040 -15.147 -2.606 1.00 0.00 H new ATOM 0 HA2 GLY A 456 2.655 -16.812 -4.507 1.00 0.00 H new ATOM 0 HA3 GLY A 456 1.447 -17.500 -3.440 1.00 0.00 H new TER 1344 GLY A 456