USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 581 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 396 HIS : no HD1:sc= 0.53 K(o=1.2,f=-3.9!) USER MOD Set 1.2: A 405 THR OG1 : rot 35:sc= 0.698 USER MOD Set 2.1: A 377 THR OG1 : rot 180:sc= 0.4 USER MOD Set 2.2: A 380 SER OG : rot 86:sc= 0.446 USER MOD Set 3.1: A 370 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 371 GLN : amide:sc= -2.89! C(o=-2.9!,f=-2.8!) USER MOD Single : A 355 SER OG : rot 180:sc= 0 USER MOD Single : A 356 HIS : no HD1:sc= 0.174 K(o=0.17,f=-2.7!) USER MOD Single : A 357 MET CE :methyl -161:sc= -0.147 (180deg=-0.607) USER MOD Single : A 362 THR OG1 : rot 180:sc= 0 USER MOD Single : A 363 GLN :FLIP amide:sc= -2.35! C(o=-7.3!,f=-2.4!) USER MOD Single : A 364 LYS NZ :NH3+ -168:sc= -0.0366 (180deg=-0.251) USER MOD Single : A 365 HIS : no HD1:sc= -0.261 X(o=-0.26,f=-0.28) USER MOD Single : A 366 LYS NZ :NH3+ -143:sc= -1.08 (180deg=-2.82!) USER MOD Single : A 372 GLN : amide:sc= -2.46! C(o=-2.5!,f=-2.8!) USER MOD Single : A 373 GLN : amide:sc= -2.2 K(o=-2.2,f=-6.4!) USER MOD Single : A 382 ASN :FLIP amide:sc= -0.993 F(o=-3.7!,f=-0.99) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 LYS NZ :NH3+ -116:sc= -0.804 (180deg=-4.29!) USER MOD Single : A 386 GLN :FLIP amide:sc= 0 F(o=-1!,f=0) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 390 LYS NZ :NH3+ -133:sc= 0.0821 (180deg=-0.263) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ -167:sc= -0.0209 (180deg=-0.198) USER MOD Single : A 397 ASN : amide:sc= 0.428 K(o=0.43,f=-3.4!) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.618 F(o=-4.1!,f=-0.62) USER MOD Single : A 402 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.152) USER MOD Single : A 403 LYS NZ :NH3+ 166:sc= -0.0302 (180deg=-0.24) USER MOD Single : A 408 LYS NZ :NH3+ 152:sc= -3.56! (180deg=-5.99!) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 413 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 418 THR OG1 : rot -88:sc= 0.453 USER MOD Single : A 420 LYS NZ :NH3+ 166:sc= -0.053 (180deg=-0.282) USER MOD Single : A 423 LYS NZ :NH3+ -165:sc= -0.0251 (180deg=-0.265) USER MOD Single : A 424 THR OG1 : rot 180:sc= 0 USER MOD Single : A 426 ASN : amide:sc= -0.209 K(o=-0.21,f=-2.6) USER MOD Single : A 427 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 ASN : amide:sc= -0.831 K(o=-0.83,f=-5.1!) USER MOD Single : A 429 THR OG1 : rot 38:sc= 0.494 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 SER OG : rot 36:sc= 0.702 USER MOD Single : A 433 SER OG : rot 4:sc= 0.695 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 354 -0.960 -22.680 -12.105 1.00 0.00 N ATOM 2 CA GLY A 354 0.296 -23.414 -11.786 1.00 0.00 C ATOM 3 C GLY A 354 0.181 -24.243 -10.521 1.00 0.00 C ATOM 4 O GLY A 354 -0.812 -24.942 -10.318 1.00 0.00 O ATOM 0 HA2 GLY A 354 0.554 -24.066 -12.621 1.00 0.00 H new ATOM 0 HA3 GLY A 354 1.112 -22.700 -11.675 1.00 0.00 H new ATOM 10 N SER A 355 1.202 -24.164 -9.671 1.00 0.00 N ATOM 11 CA SER A 355 1.220 -24.913 -8.417 1.00 0.00 C ATOM 12 C SER A 355 2.442 -24.545 -7.583 1.00 0.00 C ATOM 13 O SER A 355 2.348 -24.379 -6.365 1.00 0.00 O ATOM 14 CB SER A 355 1.216 -26.418 -8.695 1.00 0.00 C ATOM 15 OG SER A 355 1.250 -27.161 -7.488 1.00 0.00 O ATOM 0 H SER A 355 2.029 -23.588 -9.828 1.00 0.00 H new ATOM 0 HA SER A 355 0.323 -24.652 -7.855 1.00 0.00 H new ATOM 0 HB2 SER A 355 0.325 -26.683 -9.264 1.00 0.00 H new ATOM 0 HB3 SER A 355 2.077 -26.679 -9.311 1.00 0.00 H new ATOM 0 HG SER A 355 1.245 -28.119 -7.693 1.00 0.00 H new ATOM 21 N HIS A 356 3.588 -24.423 -8.244 1.00 0.00 N ATOM 22 CA HIS A 356 4.833 -24.080 -7.568 1.00 0.00 C ATOM 23 C HIS A 356 4.712 -22.742 -6.845 1.00 0.00 C ATOM 24 O HIS A 356 4.229 -21.762 -7.412 1.00 0.00 O ATOM 25 CB HIS A 356 5.983 -24.024 -8.574 1.00 0.00 C ATOM 26 CG HIS A 356 6.170 -25.296 -9.341 1.00 0.00 C ATOM 27 ND1 HIS A 356 5.198 -25.829 -10.162 1.00 0.00 N ATOM 28 CD2 HIS A 356 7.224 -26.143 -9.413 1.00 0.00 C ATOM 29 CE1 HIS A 356 5.646 -26.948 -10.703 1.00 0.00 C ATOM 30 NE2 HIS A 356 6.872 -27.160 -10.265 1.00 0.00 N ATOM 0 H HIS A 356 3.680 -24.557 -9.251 1.00 0.00 H new ATOM 0 HA HIS A 356 5.040 -24.854 -6.829 1.00 0.00 H new ATOM 0 HB2 HIS A 356 5.802 -23.210 -9.276 1.00 0.00 H new ATOM 0 HB3 HIS A 356 6.907 -23.789 -8.045 1.00 0.00 H new ATOM 0 HD2 HIS A 356 8.166 -26.038 -8.896 1.00 0.00 H new ATOM 0 HE1 HIS A 356 5.101 -27.581 -11.387 1.00 0.00 H new ATOM 0 HE2 HIS A 356 7.463 -27.952 -10.518 1.00 0.00 H new ATOM 39 N MET A 357 5.156 -22.710 -5.593 1.00 0.00 N ATOM 40 CA MET A 357 5.101 -21.492 -4.791 1.00 0.00 C ATOM 41 C MET A 357 5.984 -20.403 -5.394 1.00 0.00 C ATOM 42 O MET A 357 7.106 -20.669 -5.824 1.00 0.00 O ATOM 43 CB MET A 357 5.533 -21.777 -3.352 1.00 0.00 C ATOM 44 CG MET A 357 4.679 -22.826 -2.656 1.00 0.00 C ATOM 45 SD MET A 357 5.146 -23.073 -0.932 1.00 0.00 S ATOM 46 CE MET A 357 6.846 -23.604 -1.109 1.00 0.00 C ATOM 0 H MET A 357 5.558 -23.514 -5.111 1.00 0.00 H new ATOM 0 HA MET A 357 4.070 -21.139 -4.787 1.00 0.00 H new ATOM 0 HB2 MET A 357 6.572 -22.108 -3.352 1.00 0.00 H new ATOM 0 HB3 MET A 357 5.494 -20.850 -2.779 1.00 0.00 H new ATOM 0 HG2 MET A 357 3.632 -22.527 -2.705 1.00 0.00 H new ATOM 0 HG3 MET A 357 4.766 -23.772 -3.191 1.00 0.00 H new ATOM 0 HE1 MET A 357 7.166 -24.110 -0.198 1.00 0.00 H new ATOM 0 HE2 MET A 357 6.927 -24.290 -1.952 1.00 0.00 H new ATOM 0 HE3 MET A 357 7.482 -22.736 -1.285 1.00 0.00 H new ATOM 56 N LEU A 358 5.468 -19.177 -5.418 1.00 0.00 N ATOM 57 CA LEU A 358 6.204 -18.041 -5.966 1.00 0.00 C ATOM 58 C LEU A 358 5.839 -16.755 -5.228 1.00 0.00 C ATOM 59 O LEU A 358 5.585 -15.722 -5.848 1.00 0.00 O ATOM 60 CB LEU A 358 5.907 -17.880 -7.462 1.00 0.00 C ATOM 61 CG LEU A 358 6.381 -19.031 -8.353 1.00 0.00 C ATOM 62 CD1 LEU A 358 5.906 -18.824 -9.784 1.00 0.00 C ATOM 63 CD2 LEU A 358 7.897 -19.149 -8.311 1.00 0.00 C ATOM 0 H LEU A 358 4.540 -18.944 -5.063 1.00 0.00 H new ATOM 0 HA LEU A 358 7.269 -18.233 -5.833 1.00 0.00 H new ATOM 0 HB2 LEU A 358 4.831 -17.763 -7.591 1.00 0.00 H new ATOM 0 HB3 LEU A 358 6.372 -16.958 -7.810 1.00 0.00 H new ATOM 0 HG LEU A 358 5.952 -19.959 -7.975 1.00 0.00 H new ATOM 0 HD11 LEU A 358 6.251 -19.651 -10.405 1.00 0.00 H new ATOM 0 HD12 LEU A 358 4.817 -18.785 -9.804 1.00 0.00 H new ATOM 0 HD13 LEU A 358 6.309 -17.888 -10.169 1.00 0.00 H new ATOM 0 HD21 LEU A 358 8.216 -19.972 -8.950 1.00 0.00 H new ATOM 0 HD22 LEU A 358 8.344 -18.220 -8.665 1.00 0.00 H new ATOM 0 HD23 LEU A 358 8.219 -19.339 -7.287 1.00 0.00 H new ATOM 75 N GLU A 359 5.813 -16.828 -3.901 1.00 0.00 N ATOM 76 CA GLU A 359 5.478 -15.672 -3.075 1.00 0.00 C ATOM 77 C GLU A 359 6.674 -14.734 -2.925 1.00 0.00 C ATOM 78 O GLU A 359 6.943 -14.227 -1.835 1.00 0.00 O ATOM 79 CB GLU A 359 4.999 -16.130 -1.697 1.00 0.00 C ATOM 80 CG GLU A 359 3.772 -17.025 -1.749 1.00 0.00 C ATOM 81 CD GLU A 359 3.320 -17.477 -0.374 1.00 0.00 C ATOM 82 OE1 GLU A 359 2.991 -16.607 0.460 1.00 0.00 O ATOM 83 OE2 GLU A 359 3.294 -18.703 -0.130 1.00 0.00 O ATOM 0 H GLU A 359 6.020 -17.676 -3.374 1.00 0.00 H new ATOM 0 HA GLU A 359 4.677 -15.125 -3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 359 5.808 -16.664 -1.199 1.00 0.00 H new ATOM 0 HB3 GLU A 359 4.774 -15.254 -1.089 1.00 0.00 H new ATOM 0 HG2 GLU A 359 2.957 -16.490 -2.237 1.00 0.00 H new ATOM 0 HG3 GLU A 359 3.991 -17.900 -2.361 1.00 0.00 H new ATOM 90 N VAL A 360 7.387 -14.505 -4.023 1.00 0.00 N ATOM 91 CA VAL A 360 8.552 -13.627 -4.007 1.00 0.00 C ATOM 92 C VAL A 360 8.152 -12.188 -3.692 1.00 0.00 C ATOM 93 O VAL A 360 7.212 -11.649 -4.277 1.00 0.00 O ATOM 94 CB VAL A 360 9.306 -13.664 -5.351 1.00 0.00 C ATOM 95 CG1 VAL A 360 9.870 -15.052 -5.610 1.00 0.00 C ATOM 96 CG2 VAL A 360 8.393 -13.235 -6.490 1.00 0.00 C ATOM 0 H VAL A 360 7.179 -14.914 -4.934 1.00 0.00 H new ATOM 0 HA VAL A 360 9.214 -13.994 -3.223 1.00 0.00 H new ATOM 0 HB VAL A 360 10.138 -12.961 -5.297 1.00 0.00 H new ATOM 0 HG11 VAL A 360 10.399 -15.058 -6.563 1.00 0.00 H new ATOM 0 HG12 VAL A 360 10.561 -15.319 -4.810 1.00 0.00 H new ATOM 0 HG13 VAL A 360 9.055 -15.776 -5.642 1.00 0.00 H new ATOM 0 HG21 VAL A 360 8.944 -13.268 -7.430 1.00 0.00 H new ATOM 0 HG22 VAL A 360 7.539 -13.910 -6.546 1.00 0.00 H new ATOM 0 HG23 VAL A 360 8.041 -12.219 -6.311 1.00 0.00 H new ATOM 106 N LEU A 361 8.872 -11.573 -2.758 1.00 0.00 N ATOM 107 CA LEU A 361 8.594 -10.197 -2.360 1.00 0.00 C ATOM 108 C LEU A 361 9.269 -9.203 -3.304 1.00 0.00 C ATOM 109 O LEU A 361 9.777 -8.169 -2.870 1.00 0.00 O ATOM 110 CB LEU A 361 9.063 -9.959 -0.922 1.00 0.00 C ATOM 111 CG LEU A 361 8.407 -10.854 0.132 1.00 0.00 C ATOM 112 CD1 LEU A 361 8.998 -10.581 1.506 1.00 0.00 C ATOM 113 CD2 LEU A 361 6.900 -10.642 0.150 1.00 0.00 C ATOM 0 H LEU A 361 9.652 -12.006 -2.263 1.00 0.00 H new ATOM 0 HA LEU A 361 7.517 -10.040 -2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 361 10.142 -10.105 -0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 361 8.872 -8.918 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 361 8.606 -11.893 -0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 361 8.520 -11.226 2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 361 10.069 -10.783 1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 361 8.830 -9.538 1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 361 6.451 -11.287 0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 361 6.682 -9.600 0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 361 6.486 -10.887 -0.828 1.00 0.00 H new ATOM 125 N THR A 362 9.266 -9.524 -4.596 1.00 0.00 N ATOM 126 CA THR A 362 9.873 -8.660 -5.605 1.00 0.00 C ATOM 127 C THR A 362 11.334 -8.365 -5.259 1.00 0.00 C ATOM 128 O THR A 362 11.770 -7.214 -5.261 1.00 0.00 O ATOM 129 CB THR A 362 9.095 -7.334 -5.747 1.00 0.00 C ATOM 130 OG1 THR A 362 7.696 -7.605 -5.894 1.00 0.00 O ATOM 131 CG2 THR A 362 9.582 -6.540 -6.951 1.00 0.00 C ATOM 0 H THR A 362 8.849 -10.377 -4.969 1.00 0.00 H new ATOM 0 HA THR A 362 9.832 -9.190 -6.556 1.00 0.00 H new ATOM 0 HB THR A 362 9.266 -6.743 -4.847 1.00 0.00 H new ATOM 0 HG1 THR A 362 7.207 -6.760 -5.982 1.00 0.00 H new ATOM 0 HG21 THR A 362 9.017 -5.611 -7.027 1.00 0.00 H new ATOM 0 HG22 THR A 362 10.641 -6.312 -6.832 1.00 0.00 H new ATOM 0 HG23 THR A 362 9.437 -7.128 -7.857 1.00 0.00 H new ATOM 139 N GLN A 363 12.082 -9.421 -4.951 1.00 0.00 N ATOM 140 CA GLN A 363 13.490 -9.289 -4.594 1.00 0.00 C ATOM 141 C GLN A 363 14.368 -9.157 -5.837 1.00 0.00 C ATOM 142 O GLN A 363 15.346 -9.887 -5.999 1.00 0.00 O ATOM 143 CB GLN A 363 13.937 -10.493 -3.762 1.00 0.00 C ATOM 144 CG GLN A 363 13.145 -10.664 -2.477 1.00 0.00 C ATOM 145 CD GLN A 363 13.223 -9.444 -1.581 1.00 0.00 C ATOM 146 OE1 GLN A 363 12.078 -8.826 -1.325 1.00 0.00 O flip ATOM 147 NE2 GLN A 363 14.302 -9.061 -1.128 1.00 0.00 N flip ATOM 0 H GLN A 363 11.735 -10.380 -4.942 1.00 0.00 H new ATOM 0 HA GLN A 363 13.603 -8.380 -4.003 1.00 0.00 H new ATOM 0 HB2 GLN A 363 13.840 -11.397 -4.363 1.00 0.00 H new ATOM 0 HB3 GLN A 363 14.994 -10.384 -3.517 1.00 0.00 H new ATOM 0 HG2 GLN A 363 12.102 -10.866 -2.721 1.00 0.00 H new ATOM 0 HG3 GLN A 363 13.520 -11.533 -1.936 1.00 0.00 H new ATOM 0 HE21 GLN A 363 15.158 -9.568 -1.352 1.00 0.00 H new ATOM 0 HE22 GLN A 363 14.340 -8.236 -0.529 1.00 0.00 H new ATOM 156 N LYS A 364 14.016 -8.218 -6.711 1.00 0.00 N ATOM 157 CA LYS A 364 14.775 -7.991 -7.932 1.00 0.00 C ATOM 158 C LYS A 364 14.528 -6.583 -8.462 1.00 0.00 C ATOM 159 O LYS A 364 13.390 -6.202 -8.739 1.00 0.00 O ATOM 160 CB LYS A 364 14.401 -9.032 -8.993 1.00 0.00 C ATOM 161 CG LYS A 364 12.929 -9.020 -9.371 1.00 0.00 C ATOM 162 CD LYS A 364 12.606 -10.098 -10.393 1.00 0.00 C ATOM 163 CE LYS A 364 11.148 -10.042 -10.819 1.00 0.00 C ATOM 164 NZ LYS A 364 10.224 -10.186 -9.661 1.00 0.00 N ATOM 0 H LYS A 364 13.210 -7.604 -6.594 1.00 0.00 H new ATOM 0 HA LYS A 364 15.836 -8.092 -7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 364 14.998 -8.856 -9.888 1.00 0.00 H new ATOM 0 HB3 LYS A 364 14.664 -10.024 -8.625 1.00 0.00 H new ATOM 0 HG2 LYS A 364 12.322 -9.170 -8.478 1.00 0.00 H new ATOM 0 HG3 LYS A 364 12.664 -8.043 -9.775 1.00 0.00 H new ATOM 0 HD2 LYS A 364 13.246 -9.976 -11.267 1.00 0.00 H new ATOM 0 HD3 LYS A 364 12.826 -11.079 -9.971 1.00 0.00 H new ATOM 0 HE2 LYS A 364 10.953 -9.095 -11.323 1.00 0.00 H new ATOM 0 HE3 LYS A 364 10.950 -10.834 -11.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 9.256 -10.346 -10.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 10.522 -10.994 -9.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 10.247 -9.318 -9.088 1.00 0.00 H new ATOM 178 N HIS A 365 15.604 -5.813 -8.595 1.00 0.00 N ATOM 179 CA HIS A 365 15.513 -4.444 -9.084 1.00 0.00 C ATOM 180 C HIS A 365 14.429 -3.681 -8.323 1.00 0.00 C ATOM 181 O HIS A 365 13.649 -2.928 -8.909 1.00 0.00 O ATOM 182 CB HIS A 365 15.219 -4.437 -10.589 1.00 0.00 C ATOM 183 CG HIS A 365 15.371 -3.091 -11.228 1.00 0.00 C ATOM 184 ND1 HIS A 365 16.551 -2.379 -11.214 1.00 0.00 N ATOM 185 CD2 HIS A 365 14.481 -2.327 -11.906 1.00 0.00 C ATOM 186 CE1 HIS A 365 16.382 -1.235 -11.855 1.00 0.00 C ATOM 187 NE2 HIS A 365 15.135 -1.181 -12.284 1.00 0.00 N ATOM 0 H HIS A 365 16.551 -6.117 -8.370 1.00 0.00 H new ATOM 0 HA HIS A 365 16.468 -3.947 -8.916 1.00 0.00 H new ATOM 0 HB2 HIS A 365 15.888 -5.141 -11.084 1.00 0.00 H new ATOM 0 HB3 HIS A 365 14.202 -4.794 -10.753 1.00 0.00 H new ATOM 0 HD2 HIS A 365 13.450 -2.574 -12.111 1.00 0.00 H new ATOM 0 HE1 HIS A 365 17.135 -0.475 -12.002 1.00 0.00 H new ATOM 0 HE2 HIS A 365 14.723 -0.411 -12.812 1.00 0.00 H new ATOM 196 N LYS A 366 14.380 -3.892 -7.011 1.00 0.00 N ATOM 197 CA LYS A 366 13.389 -3.236 -6.167 1.00 0.00 C ATOM 198 C LYS A 366 13.879 -3.158 -4.719 1.00 0.00 C ATOM 199 O LYS A 366 14.238 -4.173 -4.123 1.00 0.00 O ATOM 200 CB LYS A 366 12.064 -4.003 -6.231 1.00 0.00 C ATOM 201 CG LYS A 366 10.929 -3.348 -5.458 1.00 0.00 C ATOM 202 CD LYS A 366 10.568 -1.991 -6.039 1.00 0.00 C ATOM 203 CE LYS A 366 9.391 -1.368 -5.307 1.00 0.00 C ATOM 204 NZ LYS A 366 8.172 -2.217 -5.396 1.00 0.00 N ATOM 0 H LYS A 366 15.016 -4.513 -6.510 1.00 0.00 H new ATOM 0 HA LYS A 366 13.236 -2.221 -6.534 1.00 0.00 H new ATOM 0 HB2 LYS A 366 11.766 -4.106 -7.274 1.00 0.00 H new ATOM 0 HB3 LYS A 366 12.220 -5.010 -5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 366 10.053 -3.997 -5.476 1.00 0.00 H new ATOM 0 HG3 LYS A 366 11.218 -3.232 -4.414 1.00 0.00 H new ATOM 0 HD2 LYS A 366 11.430 -1.326 -5.977 1.00 0.00 H new ATOM 0 HD3 LYS A 366 10.325 -2.099 -7.096 1.00 0.00 H new ATOM 0 HE2 LYS A 366 9.653 -1.217 -4.260 1.00 0.00 H new ATOM 0 HE3 LYS A 366 9.181 -0.385 -5.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 7.332 -1.610 -5.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 8.241 -2.838 -6.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 8.089 -2.797 -4.537 1.00 0.00 H new ATOM 218 N PRO A 367 13.906 -1.943 -4.134 1.00 0.00 N ATOM 219 CA PRO A 367 14.358 -1.737 -2.757 1.00 0.00 C ATOM 220 C PRO A 367 13.297 -2.092 -1.721 1.00 0.00 C ATOM 221 O PRO A 367 12.121 -1.765 -1.886 1.00 0.00 O ATOM 222 CB PRO A 367 14.665 -0.248 -2.720 1.00 0.00 C ATOM 223 CG PRO A 367 13.721 0.357 -3.693 1.00 0.00 C ATOM 224 CD PRO A 367 13.501 -0.672 -4.771 1.00 0.00 C ATOM 0 HA PRO A 367 15.205 -2.376 -2.507 1.00 0.00 H new ATOM 0 HB2 PRO A 367 14.519 0.161 -1.720 1.00 0.00 H new ATOM 0 HB3 PRO A 367 15.700 -0.050 -2.998 1.00 0.00 H new ATOM 0 HG2 PRO A 367 12.780 0.619 -3.209 1.00 0.00 H new ATOM 0 HG3 PRO A 367 14.131 1.276 -4.112 1.00 0.00 H new ATOM 0 HD2 PRO A 367 12.459 -0.699 -5.091 1.00 0.00 H new ATOM 0 HD3 PRO A 367 14.101 -0.459 -5.656 1.00 0.00 H new ATOM 232 N ALA A 368 13.730 -2.755 -0.650 1.00 0.00 N ATOM 233 CA ALA A 368 12.836 -3.157 0.437 1.00 0.00 C ATOM 234 C ALA A 368 11.797 -4.173 -0.028 1.00 0.00 C ATOM 235 O ALA A 368 11.199 -4.028 -1.095 1.00 0.00 O ATOM 236 CB ALA A 368 12.153 -1.938 1.039 1.00 0.00 C ATOM 0 H ALA A 368 14.703 -3.028 -0.511 1.00 0.00 H new ATOM 0 HA ALA A 368 13.445 -3.638 1.202 1.00 0.00 H new ATOM 0 HB1 ALA A 368 11.491 -2.253 1.846 1.00 0.00 H new ATOM 0 HB2 ALA A 368 12.907 -1.256 1.433 1.00 0.00 H new ATOM 0 HB3 ALA A 368 11.571 -1.430 0.270 1.00 0.00 H new ATOM 242 N GLU A 369 11.584 -5.200 0.790 1.00 0.00 N ATOM 243 CA GLU A 369 10.616 -6.243 0.481 1.00 0.00 C ATOM 244 C GLU A 369 9.211 -5.659 0.392 1.00 0.00 C ATOM 245 O GLU A 369 8.814 -4.848 1.229 1.00 0.00 O ATOM 246 CB GLU A 369 10.659 -7.342 1.545 1.00 0.00 C ATOM 247 CG GLU A 369 12.024 -7.998 1.692 1.00 0.00 C ATOM 248 CD GLU A 369 12.050 -9.060 2.775 1.00 0.00 C ATOM 249 OE1 GLU A 369 11.006 -9.269 3.428 1.00 0.00 O ATOM 250 OE2 GLU A 369 13.117 -9.679 2.972 1.00 0.00 O ATOM 0 H GLU A 369 12.073 -5.331 1.676 1.00 0.00 H new ATOM 0 HA GLU A 369 10.876 -6.677 -0.485 1.00 0.00 H new ATOM 0 HB2 GLU A 369 10.364 -6.918 2.505 1.00 0.00 H new ATOM 0 HB3 GLU A 369 9.923 -8.106 1.295 1.00 0.00 H new ATOM 0 HG2 GLU A 369 12.311 -8.447 0.741 1.00 0.00 H new ATOM 0 HG3 GLU A 369 12.767 -7.234 1.920 1.00 0.00 H new ATOM 257 N SER A 370 8.473 -6.079 -0.629 1.00 0.00 N ATOM 258 CA SER A 370 7.106 -5.607 -0.850 1.00 0.00 C ATOM 259 C SER A 370 7.086 -4.120 -1.193 1.00 0.00 C ATOM 260 O SER A 370 7.730 -3.307 -0.531 1.00 0.00 O ATOM 261 CB SER A 370 6.238 -5.872 0.382 1.00 0.00 C ATOM 262 OG SER A 370 4.916 -5.404 0.185 1.00 0.00 O ATOM 0 H SER A 370 8.799 -6.751 -1.323 1.00 0.00 H new ATOM 0 HA SER A 370 6.697 -6.160 -1.695 1.00 0.00 H new ATOM 0 HB2 SER A 370 6.221 -6.941 0.595 1.00 0.00 H new ATOM 0 HB3 SER A 370 6.675 -5.381 1.251 1.00 0.00 H new ATOM 0 HG SER A 370 4.382 -5.587 0.986 1.00 0.00 H new ATOM 268 N GLN A 371 6.339 -3.773 -2.236 1.00 0.00 N ATOM 269 CA GLN A 371 6.227 -2.386 -2.675 1.00 0.00 C ATOM 270 C GLN A 371 5.597 -1.517 -1.592 1.00 0.00 C ATOM 271 O GLN A 371 4.598 -1.897 -0.979 1.00 0.00 O ATOM 272 CB GLN A 371 5.402 -2.290 -3.965 1.00 0.00 C ATOM 273 CG GLN A 371 3.960 -2.757 -3.820 1.00 0.00 C ATOM 274 CD GLN A 371 3.845 -4.241 -3.531 1.00 0.00 C ATOM 275 OE1 GLN A 371 4.280 -5.075 -4.325 1.00 0.00 O ATOM 276 NE2 GLN A 371 3.259 -4.579 -2.388 1.00 0.00 N ATOM 0 H GLN A 371 5.801 -4.435 -2.795 1.00 0.00 H new ATOM 0 HA GLN A 371 7.235 -2.019 -2.871 1.00 0.00 H new ATOM 0 HB2 GLN A 371 5.404 -1.255 -4.308 1.00 0.00 H new ATOM 0 HB3 GLN A 371 5.888 -2.884 -4.739 1.00 0.00 H new ATOM 0 HG2 GLN A 371 3.482 -2.198 -3.016 1.00 0.00 H new ATOM 0 HG3 GLN A 371 3.415 -2.527 -4.736 1.00 0.00 H new ATOM 0 HE21 GLN A 371 2.913 -3.855 -1.759 1.00 0.00 H new ATOM 0 HE22 GLN A 371 3.155 -5.563 -2.139 1.00 0.00 H new ATOM 285 N GLN A 372 6.187 -0.347 -1.360 1.00 0.00 N ATOM 286 CA GLN A 372 5.681 0.577 -0.352 1.00 0.00 C ATOM 287 C GLN A 372 4.282 1.063 -0.722 1.00 0.00 C ATOM 288 O GLN A 372 4.012 1.380 -1.882 1.00 0.00 O ATOM 289 CB GLN A 372 6.627 1.771 -0.189 1.00 0.00 C ATOM 290 CG GLN A 372 6.711 2.672 -1.412 1.00 0.00 C ATOM 291 CD GLN A 372 7.291 1.970 -2.624 1.00 0.00 C ATOM 292 OE1 GLN A 372 8.432 1.507 -2.602 1.00 0.00 O ATOM 293 NE2 GLN A 372 6.506 1.886 -3.692 1.00 0.00 N ATOM 0 H GLN A 372 7.015 -0.018 -1.856 1.00 0.00 H new ATOM 0 HA GLN A 372 5.626 0.044 0.597 1.00 0.00 H new ATOM 0 HB2 GLN A 372 6.300 2.365 0.664 1.00 0.00 H new ATOM 0 HB3 GLN A 372 7.625 1.400 0.044 1.00 0.00 H new ATOM 0 HG2 GLN A 372 5.714 3.041 -1.654 1.00 0.00 H new ATOM 0 HG3 GLN A 372 7.324 3.542 -1.175 1.00 0.00 H new ATOM 0 HE21 GLN A 372 5.567 2.283 -3.667 1.00 0.00 H new ATOM 0 HE22 GLN A 372 6.842 1.424 -4.537 1.00 0.00 H new ATOM 302 N GLN A 373 3.396 1.115 0.267 1.00 0.00 N ATOM 303 CA GLN A 373 2.023 1.556 0.042 1.00 0.00 C ATOM 304 C GLN A 373 1.982 3.001 -0.448 1.00 0.00 C ATOM 305 O GLN A 373 2.639 3.879 0.112 1.00 0.00 O ATOM 306 CB GLN A 373 1.203 1.419 1.327 1.00 0.00 C ATOM 307 CG GLN A 373 -0.238 1.879 1.181 1.00 0.00 C ATOM 308 CD GLN A 373 -0.996 1.101 0.123 1.00 0.00 C ATOM 309 OE1 GLN A 373 -1.157 -0.116 0.228 1.00 0.00 O ATOM 310 NE2 GLN A 373 -1.461 1.799 -0.905 1.00 0.00 N ATOM 0 H GLN A 373 3.603 0.857 1.232 1.00 0.00 H new ATOM 0 HA GLN A 373 1.589 0.920 -0.729 1.00 0.00 H new ATOM 0 HB2 GLN A 373 1.212 0.376 1.645 1.00 0.00 H new ATOM 0 HB3 GLN A 373 1.682 1.997 2.117 1.00 0.00 H new ATOM 0 HG2 GLN A 373 -0.748 1.773 2.139 1.00 0.00 H new ATOM 0 HG3 GLN A 373 -0.253 2.939 0.927 1.00 0.00 H new ATOM 0 HE21 GLN A 373 -1.304 2.806 -0.951 1.00 0.00 H new ATOM 0 HE22 GLN A 373 -1.975 1.329 -1.650 1.00 0.00 H new ATOM 319 N ALA A 374 1.197 3.239 -1.496 1.00 0.00 N ATOM 320 CA ALA A 374 1.059 4.573 -2.063 1.00 0.00 C ATOM 321 C ALA A 374 -0.407 4.977 -2.132 1.00 0.00 C ATOM 322 O ALA A 374 -1.260 4.184 -2.531 1.00 0.00 O ATOM 323 CB ALA A 374 1.690 4.630 -3.445 1.00 0.00 C ATOM 0 H ALA A 374 0.647 2.522 -1.969 1.00 0.00 H new ATOM 0 HA ALA A 374 1.580 5.277 -1.414 1.00 0.00 H new ATOM 0 HB1 ALA A 374 1.578 5.634 -3.855 1.00 0.00 H new ATOM 0 HB2 ALA A 374 2.749 4.384 -3.372 1.00 0.00 H new ATOM 0 HB3 ALA A 374 1.195 3.913 -4.101 1.00 0.00 H new ATOM 329 N ALA A 375 -0.698 6.213 -1.741 1.00 0.00 N ATOM 330 CA ALA A 375 -2.066 6.710 -1.761 1.00 0.00 C ATOM 331 C ALA A 375 -2.637 6.681 -3.174 1.00 0.00 C ATOM 332 O ALA A 375 -2.366 7.567 -3.984 1.00 0.00 O ATOM 333 CB ALA A 375 -2.122 8.121 -1.194 1.00 0.00 C ATOM 0 H ALA A 375 -0.007 6.885 -1.408 1.00 0.00 H new ATOM 0 HA ALA A 375 -2.676 6.056 -1.137 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -3.151 8.481 -1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -1.760 8.115 -0.166 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -1.495 8.780 -1.795 1.00 0.00 H new ATOM 339 N GLU A 376 -3.432 5.654 -3.461 1.00 0.00 N ATOM 340 CA GLU A 376 -4.049 5.503 -4.771 1.00 0.00 C ATOM 341 C GLU A 376 -5.107 6.580 -4.990 1.00 0.00 C ATOM 342 O GLU A 376 -4.975 7.702 -4.500 1.00 0.00 O ATOM 343 CB GLU A 376 -4.668 4.107 -4.900 1.00 0.00 C ATOM 344 CG GLU A 376 -3.696 2.979 -4.602 1.00 0.00 C ATOM 345 CD GLU A 376 -4.306 1.613 -4.848 1.00 0.00 C ATOM 346 OE1 GLU A 376 -5.341 1.305 -4.223 1.00 0.00 O ATOM 347 OE2 GLU A 376 -3.750 0.853 -5.668 1.00 0.00 O ATOM 0 H GLU A 376 -3.663 4.913 -2.800 1.00 0.00 H new ATOM 0 HA GLU A 376 -3.282 5.618 -5.537 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.518 4.032 -4.221 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -5.056 3.983 -5.911 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.807 3.095 -5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -3.371 3.047 -3.564 1.00 0.00 H new ATOM 354 N THR A 377 -6.152 6.236 -5.729 1.00 0.00 N ATOM 355 CA THR A 377 -7.227 7.170 -6.020 1.00 0.00 C ATOM 356 C THR A 377 -8.561 6.441 -6.082 1.00 0.00 C ATOM 357 O THR A 377 -8.603 5.232 -6.303 1.00 0.00 O ATOM 358 CB THR A 377 -6.985 7.908 -7.348 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.979 6.974 -8.436 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.661 8.656 -7.311 1.00 0.00 C ATOM 0 H THR A 377 -6.277 5.311 -6.140 1.00 0.00 H new ATOM 0 HA THR A 377 -7.250 7.904 -5.215 1.00 0.00 H new ATOM 0 HB THR A 377 -7.791 8.627 -7.493 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.826 7.453 -9.277 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.508 9.172 -8.259 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.677 9.384 -6.500 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.848 7.949 -7.147 1.00 0.00 H new ATOM 368 N GLU A 378 -9.645 7.179 -5.866 1.00 0.00 N ATOM 369 CA GLU A 378 -10.984 6.601 -5.879 1.00 0.00 C ATOM 370 C GLU A 378 -11.151 5.643 -7.047 1.00 0.00 C ATOM 371 O GLU A 378 -11.637 4.525 -6.887 1.00 0.00 O ATOM 372 CB GLU A 378 -12.033 7.708 -5.974 1.00 0.00 C ATOM 373 CG GLU A 378 -13.461 7.210 -5.819 1.00 0.00 C ATOM 374 CD GLU A 378 -14.486 8.322 -5.926 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.081 9.487 -6.122 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.694 8.028 -5.811 1.00 0.00 O ATOM 0 H GLU A 378 -9.622 8.182 -5.679 1.00 0.00 H new ATOM 0 HA GLU A 378 -11.121 6.047 -4.950 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.832 8.454 -5.205 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.934 8.208 -6.937 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.664 6.460 -6.583 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.566 6.717 -4.853 1.00 0.00 H new ATOM 383 N GLY A 379 -10.743 6.098 -8.219 1.00 0.00 N ATOM 384 CA GLY A 379 -10.851 5.284 -9.412 1.00 0.00 C ATOM 385 C GLY A 379 -10.048 4.005 -9.328 1.00 0.00 C ATOM 386 O GLY A 379 -10.505 2.952 -9.773 1.00 0.00 O ATOM 0 H GLY A 379 -10.336 7.022 -8.368 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.899 5.038 -9.584 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.514 5.863 -10.272 1.00 0.00 H new ATOM 390 N SER A 380 -8.850 4.092 -8.765 1.00 0.00 N ATOM 391 CA SER A 380 -7.988 2.926 -8.636 1.00 0.00 C ATOM 392 C SER A 380 -8.574 1.905 -7.665 1.00 0.00 C ATOM 393 O SER A 380 -8.671 0.721 -7.982 1.00 0.00 O ATOM 394 CB SER A 380 -6.601 3.345 -8.173 1.00 0.00 C ATOM 395 OG SER A 380 -5.986 4.211 -9.112 1.00 0.00 O ATOM 0 H SER A 380 -8.455 4.955 -8.392 1.00 0.00 H new ATOM 0 HA SER A 380 -7.914 2.457 -9.617 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.673 3.844 -7.207 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.980 2.461 -8.029 1.00 0.00 H new ATOM 0 HG SER A 380 -6.261 5.135 -8.934 1.00 0.00 H new ATOM 401 N CYS A 381 -8.952 2.371 -6.480 1.00 0.00 N ATOM 402 CA CYS A 381 -9.513 1.500 -5.450 1.00 0.00 C ATOM 403 C CYS A 381 -10.729 0.729 -5.954 1.00 0.00 C ATOM 404 O CYS A 381 -10.859 -0.470 -5.705 1.00 0.00 O ATOM 405 CB CYS A 381 -9.901 2.323 -4.225 1.00 0.00 C ATOM 406 SG CYS A 381 -8.535 3.306 -3.527 1.00 0.00 S ATOM 0 H CYS A 381 -8.880 3.351 -6.207 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.745 0.775 -5.182 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.717 2.994 -4.495 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.282 1.652 -3.455 1.00 0.00 H new ATOM 411 N ASN A 382 -11.620 1.425 -6.652 1.00 0.00 N ATOM 412 CA ASN A 382 -12.833 0.805 -7.179 1.00 0.00 C ATOM 413 C ASN A 382 -12.509 -0.437 -8.001 1.00 0.00 C ATOM 414 O ASN A 382 -13.305 -1.374 -8.065 1.00 0.00 O ATOM 415 CB ASN A 382 -13.606 1.801 -8.047 1.00 0.00 C ATOM 416 CG ASN A 382 -14.049 3.035 -7.282 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.723 3.095 -5.995 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.679 3.930 -7.845 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.526 2.418 -6.866 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.447 0.508 -6.329 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.980 2.106 -8.886 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.482 1.306 -8.466 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.910 3.846 -8.835 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.970 4.756 -7.322 1.00 0.00 H new ATOM 425 N LYS A 383 -11.345 -0.433 -8.635 1.00 0.00 N ATOM 426 CA LYS A 383 -10.923 -1.551 -9.463 1.00 0.00 C ATOM 427 C LYS A 383 -10.299 -2.653 -8.615 1.00 0.00 C ATOM 428 O LYS A 383 -10.408 -3.837 -8.937 1.00 0.00 O ATOM 429 CB LYS A 383 -9.928 -1.068 -10.519 1.00 0.00 C ATOM 430 CG LYS A 383 -10.368 0.207 -11.228 1.00 0.00 C ATOM 431 CD LYS A 383 -11.742 0.061 -11.870 1.00 0.00 C ATOM 432 CE LYS A 383 -11.750 -1.009 -12.950 1.00 0.00 C ATOM 433 NZ LYS A 383 -13.088 -1.145 -13.589 1.00 0.00 N ATOM 0 H LYS A 383 -10.675 0.335 -8.591 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.801 -1.964 -9.960 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.962 -0.896 -10.045 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.785 -1.855 -11.259 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.388 1.030 -10.514 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.637 0.467 -11.993 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.476 -0.190 -11.104 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.045 1.015 -12.301 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.008 -0.763 -13.710 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.456 -1.965 -12.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -13.050 -1.885 -14.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -13.792 -1.405 -12.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -13.358 -0.241 -14.026 1.00 0.00 H new ATOM 447 N LYS A 384 -9.636 -2.254 -7.535 1.00 0.00 N ATOM 448 CA LYS A 384 -8.980 -3.194 -6.645 1.00 0.00 C ATOM 449 C LYS A 384 -9.988 -4.026 -5.857 1.00 0.00 C ATOM 450 O LYS A 384 -10.867 -3.484 -5.187 1.00 0.00 O ATOM 451 CB LYS A 384 -8.062 -2.425 -5.695 1.00 0.00 C ATOM 452 CG LYS A 384 -6.724 -2.010 -6.305 1.00 0.00 C ATOM 453 CD LYS A 384 -6.855 -1.464 -7.721 1.00 0.00 C ATOM 454 CE LYS A 384 -6.664 -2.553 -8.767 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.819 -2.029 -10.152 1.00 0.00 N ATOM 0 H LYS A 384 -9.541 -1.277 -7.257 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.393 -3.888 -7.246 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.583 -1.531 -5.351 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.871 -3.041 -4.816 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.262 -1.253 -5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.054 -2.870 -6.314 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.838 -1.009 -7.846 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.117 -0.677 -7.877 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.673 -2.994 -8.655 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.388 -3.350 -8.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.641 -2.478 -10.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -6.962 -0.999 -10.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.963 -2.243 -10.702 1.00 0.00 H new ATOM 469 N ASP A 385 -9.841 -5.347 -5.931 1.00 0.00 N ATOM 470 CA ASP A 385 -10.728 -6.259 -5.214 1.00 0.00 C ATOM 471 C ASP A 385 -10.470 -6.173 -3.715 1.00 0.00 C ATOM 472 O ASP A 385 -9.659 -5.366 -3.270 1.00 0.00 O ATOM 473 CB ASP A 385 -10.523 -7.694 -5.700 1.00 0.00 C ATOM 474 CG ASP A 385 -10.836 -7.856 -7.176 1.00 0.00 C ATOM 475 OD1 ASP A 385 -10.185 -7.180 -7.999 1.00 0.00 O ATOM 476 OD2 ASP A 385 -11.733 -8.660 -7.507 1.00 0.00 O ATOM 0 H ASP A 385 -9.116 -5.809 -6.480 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.759 -5.967 -5.412 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.491 -7.993 -5.515 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.158 -8.365 -5.121 1.00 0.00 H new ATOM 481 N GLN A 386 -11.157 -7.010 -2.941 1.00 0.00 N ATOM 482 CA GLN A 386 -10.989 -7.016 -1.490 1.00 0.00 C ATOM 483 C GLN A 386 -9.513 -7.088 -1.113 1.00 0.00 C ATOM 484 O GLN A 386 -9.022 -6.280 -0.324 1.00 0.00 O ATOM 485 CB GLN A 386 -11.745 -8.194 -0.872 1.00 0.00 C ATOM 486 CG GLN A 386 -11.601 -8.290 0.640 1.00 0.00 C ATOM 487 CD GLN A 386 -12.393 -9.439 1.243 1.00 0.00 C ATOM 488 OE1 GLN A 386 -13.125 -10.171 0.407 1.00 0.00 O flip ATOM 489 NE2 GLN A 386 -12.350 -9.666 2.452 1.00 0.00 N flip ATOM 0 H GLN A 386 -11.832 -7.690 -3.292 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.400 -6.085 -1.098 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.802 -8.107 -1.122 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.386 -9.120 -1.321 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.547 -8.411 0.892 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -11.930 -7.354 1.090 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -11.777 -9.082 3.061 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -12.888 -10.438 2.845 1.00 0.00 H new ATOM 498 N ASN A 387 -8.808 -8.056 -1.688 1.00 0.00 N ATOM 499 CA ASN A 387 -7.386 -8.230 -1.419 1.00 0.00 C ATOM 500 C ASN A 387 -6.583 -7.037 -1.932 1.00 0.00 C ATOM 501 O ASN A 387 -5.587 -6.640 -1.326 1.00 0.00 O ATOM 502 CB ASN A 387 -6.877 -9.519 -2.067 1.00 0.00 C ATOM 503 CG ASN A 387 -5.401 -9.746 -1.825 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.943 -9.773 -0.683 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.648 -9.923 -2.902 1.00 0.00 N ATOM 0 H ASN A 387 -9.199 -8.733 -2.344 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.252 -8.297 -0.339 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.440 -10.366 -1.675 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.064 -9.481 -3.140 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.647 -10.090 -2.802 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.070 -9.893 -3.830 1.00 0.00 H new ATOM 512 N GLU A 388 -7.019 -6.478 -3.056 1.00 0.00 N ATOM 513 CA GLU A 388 -6.339 -5.338 -3.663 1.00 0.00 C ATOM 514 C GLU A 388 -6.732 -4.025 -2.997 1.00 0.00 C ATOM 515 O GLU A 388 -6.088 -3.000 -3.220 1.00 0.00 O ATOM 516 CB GLU A 388 -6.633 -5.287 -5.162 1.00 0.00 C ATOM 517 CG GLU A 388 -6.132 -6.506 -5.920 1.00 0.00 C ATOM 518 CD GLU A 388 -6.409 -6.423 -7.408 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.595 -6.321 -7.787 1.00 0.00 O ATOM 520 OE2 GLU A 388 -5.440 -6.460 -8.195 1.00 0.00 O ATOM 0 H GLU A 388 -7.842 -6.797 -3.567 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.268 -5.471 -3.514 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.709 -5.194 -5.310 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.174 -4.393 -5.584 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.059 -6.613 -5.760 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.606 -7.400 -5.516 1.00 0.00 H new ATOM 527 N CYS A 389 -7.780 -4.053 -2.174 1.00 0.00 N ATOM 528 CA CYS A 389 -8.221 -2.848 -1.485 1.00 0.00 C ATOM 529 C CYS A 389 -7.073 -2.324 -0.632 1.00 0.00 C ATOM 530 O CYS A 389 -6.806 -2.833 0.456 1.00 0.00 O ATOM 531 CB CYS A 389 -9.454 -3.140 -0.624 1.00 0.00 C ATOM 532 SG CYS A 389 -10.354 -1.653 -0.071 1.00 0.00 S ATOM 0 H CYS A 389 -8.331 -4.887 -1.972 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.504 -2.090 -2.215 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.136 -3.773 -1.191 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.144 -3.709 0.252 1.00 0.00 H new ATOM 537 N LYS A 390 -6.370 -1.333 -1.165 1.00 0.00 N ATOM 538 CA LYS A 390 -5.209 -0.759 -0.495 1.00 0.00 C ATOM 539 C LYS A 390 -5.581 0.051 0.743 1.00 0.00 C ATOM 540 O LYS A 390 -6.741 0.410 0.949 1.00 0.00 O ATOM 541 CB LYS A 390 -4.417 0.088 -1.483 1.00 0.00 C ATOM 542 CG LYS A 390 -3.785 -0.736 -2.599 1.00 0.00 C ATOM 543 CD LYS A 390 -2.681 -1.640 -2.071 1.00 0.00 C ATOM 544 CE LYS A 390 -2.048 -2.458 -3.186 1.00 0.00 C ATOM 545 NZ LYS A 390 -3.039 -3.340 -3.861 1.00 0.00 N ATOM 0 H LYS A 390 -6.585 -0.907 -2.066 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.590 -1.584 -0.142 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.076 0.838 -1.921 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.634 0.625 -0.947 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.551 -1.341 -3.084 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.378 -0.069 -3.359 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -1.917 -1.035 -1.583 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.089 -2.310 -1.314 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.601 -1.787 -3.919 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -1.241 -3.066 -2.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -2.643 -4.297 -3.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -3.910 -3.381 -3.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -3.257 -2.959 -4.804 1.00 0.00 H new ATOM 559 N SER A 391 -4.572 0.308 1.577 1.00 0.00 N ATOM 560 CA SER A 391 -4.741 1.044 2.822 1.00 0.00 C ATOM 561 C SER A 391 -5.441 2.391 2.619 1.00 0.00 C ATOM 562 O SER A 391 -6.419 2.683 3.309 1.00 0.00 O ATOM 563 CB SER A 391 -3.380 1.253 3.480 1.00 0.00 C ATOM 564 OG SER A 391 -2.754 0.014 3.764 1.00 0.00 O ATOM 0 H SER A 391 -3.613 0.009 1.403 1.00 0.00 H new ATOM 0 HA SER A 391 -5.383 0.448 3.471 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.742 1.844 2.823 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.502 1.822 4.402 1.00 0.00 H new ATOM 0 HG SER A 391 -1.883 0.176 4.183 1.00 0.00 H new ATOM 570 N PRO A 392 -4.972 3.235 1.676 1.00 0.00 N ATOM 571 CA PRO A 392 -5.593 4.534 1.419 1.00 0.00 C ATOM 572 C PRO A 392 -7.066 4.374 1.081 1.00 0.00 C ATOM 573 O PRO A 392 -7.881 5.267 1.327 1.00 0.00 O ATOM 574 CB PRO A 392 -4.807 5.079 0.219 1.00 0.00 C ATOM 575 CG PRO A 392 -4.136 3.897 -0.375 1.00 0.00 C ATOM 576 CD PRO A 392 -3.829 3.007 0.780 1.00 0.00 C ATOM 0 HA PRO A 392 -5.559 5.199 2.282 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.470 5.559 -0.501 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.080 5.829 0.532 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.782 3.398 -1.097 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.228 4.184 -0.905 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.754 1.963 0.478 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.884 3.271 1.254 1.00 0.00 H new ATOM 584 N CYS A 393 -7.398 3.215 0.524 1.00 0.00 N ATOM 585 CA CYS A 393 -8.768 2.901 0.158 1.00 0.00 C ATOM 586 C CYS A 393 -9.546 2.426 1.379 1.00 0.00 C ATOM 587 O CYS A 393 -9.000 1.754 2.254 1.00 0.00 O ATOM 588 CB CYS A 393 -8.807 1.811 -0.907 1.00 0.00 C ATOM 589 SG CYS A 393 -7.608 2.025 -2.261 1.00 0.00 S ATOM 0 H CYS A 393 -6.729 2.474 0.316 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.224 3.808 -0.239 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.626 0.848 -0.429 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.810 1.773 -1.331 1.00 0.00 H new ATOM 594 N LYS A 394 -10.825 2.761 1.418 1.00 0.00 N ATOM 595 CA LYS A 394 -11.693 2.355 2.516 1.00 0.00 C ATOM 596 C LYS A 394 -12.520 1.143 2.112 1.00 0.00 C ATOM 597 O LYS A 394 -13.238 1.174 1.114 1.00 0.00 O ATOM 598 CB LYS A 394 -12.612 3.507 2.930 1.00 0.00 C ATOM 599 CG LYS A 394 -13.558 3.151 4.068 1.00 0.00 C ATOM 600 CD LYS A 394 -14.451 4.321 4.448 1.00 0.00 C ATOM 601 CE LYS A 394 -13.639 5.495 4.966 1.00 0.00 C ATOM 602 NZ LYS A 394 -12.874 5.145 6.194 1.00 0.00 N ATOM 0 H LYS A 394 -11.289 3.316 0.699 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.069 2.088 3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.001 4.359 3.229 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.198 3.822 2.066 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.176 2.303 3.775 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -12.979 2.838 4.937 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -15.032 4.634 3.580 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -15.162 4.004 5.211 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -12.948 5.828 4.191 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -14.305 6.331 5.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -12.514 6.014 6.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -13.498 4.648 6.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -12.075 4.529 5.942 1.00 0.00 H new ATOM 616 N TRP A 395 -12.408 0.073 2.890 1.00 0.00 N ATOM 617 CA TRP A 395 -13.140 -1.152 2.604 1.00 0.00 C ATOM 618 C TRP A 395 -14.581 -1.064 3.101 1.00 0.00 C ATOM 619 O TRP A 395 -14.839 -0.577 4.202 1.00 0.00 O ATOM 620 CB TRP A 395 -12.440 -2.352 3.244 1.00 0.00 C ATOM 621 CG TRP A 395 -13.059 -3.666 2.877 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.472 -4.646 3.733 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.331 -4.147 1.554 1.00 0.00 C ATOM 624 NE1 TRP A 395 -13.989 -5.705 3.024 1.00 0.00 N ATOM 625 CE2 TRP A 395 -13.913 -5.422 1.686 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.141 -3.622 0.270 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.305 -6.179 0.585 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.532 -4.375 -0.820 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.107 -5.641 -0.657 1.00 0.00 C ATOM 0 H TRP A 395 -11.819 0.030 3.721 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.159 -1.284 1.522 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.392 -2.355 2.943 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.460 -2.239 4.328 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.403 -4.597 4.810 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.367 -6.561 3.429 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.697 -2.647 0.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.749 -7.156 0.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.392 -3.980 -1.815 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.400 -6.205 -1.530 1.00 0.00 H new ATOM 640 N HIS A 396 -15.514 -1.549 2.285 1.00 0.00 N ATOM 641 CA HIS A 396 -16.928 -1.535 2.647 1.00 0.00 C ATOM 642 C HIS A 396 -17.484 -2.954 2.704 1.00 0.00 C ATOM 643 O HIS A 396 -17.456 -3.685 1.711 1.00 0.00 O ATOM 644 CB HIS A 396 -17.730 -0.701 1.647 1.00 0.00 C ATOM 645 CG HIS A 396 -17.363 0.750 1.646 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.481 1.557 2.759 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.884 1.542 0.658 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.091 2.781 2.454 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.724 2.800 1.186 1.00 0.00 N ATOM 0 H HIS A 396 -15.316 -1.956 1.371 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.019 -1.084 3.635 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.580 -1.106 0.646 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.792 -0.798 1.874 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.668 1.241 -0.356 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.075 3.625 3.128 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.378 3.616 0.681 1.00 0.00 H new ATOM 658 N ASN A 397 -17.986 -3.334 3.875 1.00 0.00 N ATOM 659 CA ASN A 397 -18.549 -4.663 4.080 1.00 0.00 C ATOM 660 C ASN A 397 -20.045 -4.688 3.778 1.00 0.00 C ATOM 661 O ASN A 397 -20.767 -3.740 4.087 1.00 0.00 O ATOM 662 CB ASN A 397 -18.302 -5.126 5.516 1.00 0.00 C ATOM 663 CG ASN A 397 -18.942 -4.206 6.537 1.00 0.00 C ATOM 664 OD1 ASN A 397 -18.619 -3.020 6.608 1.00 0.00 O ATOM 665 ND2 ASN A 397 -19.858 -4.748 7.331 1.00 0.00 N ATOM 0 H ASN A 397 -18.014 -2.736 4.701 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.052 -5.344 3.389 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.695 -6.135 5.643 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.229 -5.177 5.699 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -20.325 -4.177 8.035 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -20.094 -5.736 7.237 1.00 0.00 H new ATOM 672 N ASP A 398 -20.497 -5.785 3.178 1.00 0.00 N ATOM 673 CA ASP A 398 -21.906 -5.957 2.831 1.00 0.00 C ATOM 674 C ASP A 398 -22.386 -4.834 1.914 1.00 0.00 C ATOM 675 O ASP A 398 -23.524 -4.375 2.016 1.00 0.00 O ATOM 676 CB ASP A 398 -22.762 -6.005 4.102 1.00 0.00 C ATOM 677 CG ASP A 398 -24.193 -6.432 3.828 1.00 0.00 C ATOM 678 OD1 ASP A 398 -24.504 -6.763 2.664 1.00 0.00 O ATOM 679 OD2 ASP A 398 -25.001 -6.441 4.781 1.00 0.00 O ATOM 0 H ASP A 398 -19.904 -6.574 2.920 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.011 -6.901 2.296 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.311 -6.697 4.813 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.764 -5.021 4.571 1.00 0.00 H new ATOM 684 N ALA A 399 -21.513 -4.403 1.011 1.00 0.00 N ATOM 685 CA ALA A 399 -21.848 -3.343 0.067 1.00 0.00 C ATOM 686 C ALA A 399 -22.533 -3.919 -1.164 1.00 0.00 C ATOM 687 O ALA A 399 -22.168 -3.600 -2.296 1.00 0.00 O ATOM 688 CB ALA A 399 -20.602 -2.581 -0.333 1.00 0.00 C ATOM 0 H ALA A 399 -20.567 -4.771 0.912 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.538 -2.654 0.554 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.868 -1.793 -1.038 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.147 -2.137 0.552 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.893 -3.263 -0.802 1.00 0.00 H new ATOM 694 N GLU A 400 -23.511 -4.789 -0.922 1.00 0.00 N ATOM 695 CA GLU A 400 -24.260 -5.458 -1.985 1.00 0.00 C ATOM 696 C GLU A 400 -23.433 -6.594 -2.574 1.00 0.00 C ATOM 697 O GLU A 400 -23.975 -7.605 -3.024 1.00 0.00 O ATOM 698 CB GLU A 400 -24.673 -4.473 -3.082 1.00 0.00 C ATOM 699 CG GLU A 400 -25.556 -3.339 -2.584 1.00 0.00 C ATOM 700 CD GLU A 400 -26.867 -3.833 -2.002 1.00 0.00 C ATOM 701 OE1 GLU A 400 -27.647 -4.462 -2.748 1.00 0.00 O ATOM 702 OE2 GLU A 400 -27.113 -3.592 -0.802 1.00 0.00 O ATOM 0 H GLU A 400 -23.808 -5.051 0.018 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.170 -5.870 -1.549 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -23.776 -4.051 -3.536 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.201 -5.016 -3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -25.018 -2.770 -1.826 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.763 -2.656 -3.408 1.00 0.00 H new ATOM 709 N ASN A 401 -22.115 -6.418 -2.557 1.00 0.00 N ATOM 710 CA ASN A 401 -21.193 -7.417 -3.075 1.00 0.00 C ATOM 711 C ASN A 401 -19.750 -6.975 -2.852 1.00 0.00 C ATOM 712 O ASN A 401 -18.897 -7.138 -3.724 1.00 0.00 O ATOM 713 CB ASN A 401 -21.454 -7.656 -4.564 1.00 0.00 C ATOM 714 CG ASN A 401 -21.248 -6.416 -5.422 1.00 0.00 C ATOM 715 OD1 ASN A 401 -20.979 -5.277 -4.790 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -21.341 -6.481 -6.649 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.661 -5.584 -2.186 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.354 -8.352 -2.539 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.793 -8.447 -4.918 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.476 -8.012 -4.693 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -21.549 -7.373 -7.098 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -21.210 -5.643 -7.215 1.00 0.00 H new ATOM 723 N LYS A 402 -19.495 -6.408 -1.671 1.00 0.00 N ATOM 724 CA LYS A 402 -18.163 -5.924 -1.309 1.00 0.00 C ATOM 725 C LYS A 402 -17.750 -4.761 -2.207 1.00 0.00 C ATOM 726 O LYS A 402 -17.868 -4.839 -3.429 1.00 0.00 O ATOM 727 CB LYS A 402 -17.139 -7.059 -1.402 1.00 0.00 C ATOM 728 CG LYS A 402 -17.481 -8.261 -0.534 1.00 0.00 C ATOM 729 CD LYS A 402 -17.575 -7.884 0.937 1.00 0.00 C ATOM 730 CE LYS A 402 -17.947 -9.082 1.795 1.00 0.00 C ATOM 731 NZ LYS A 402 -18.060 -8.721 3.235 1.00 0.00 N ATOM 0 H LYS A 402 -20.199 -6.273 -0.946 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.196 -5.568 -0.279 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.060 -7.382 -2.440 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.160 -6.678 -1.111 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.429 -8.689 -0.861 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.722 -9.032 -0.664 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.620 -7.478 1.271 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.319 -7.098 1.066 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.894 -9.496 1.449 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -17.195 -9.862 1.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -17.959 -9.577 3.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -17.311 -8.044 3.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -18.989 -8.289 3.413 1.00 0.00 H new ATOM 745 N LYS A 403 -17.275 -3.675 -1.598 1.00 0.00 N ATOM 746 CA LYS A 403 -16.861 -2.500 -2.364 1.00 0.00 C ATOM 747 C LYS A 403 -15.693 -1.773 -1.706 1.00 0.00 C ATOM 748 O LYS A 403 -15.668 -1.577 -0.492 1.00 0.00 O ATOM 749 CB LYS A 403 -18.033 -1.526 -2.527 1.00 0.00 C ATOM 750 CG LYS A 403 -19.215 -2.103 -3.292 1.00 0.00 C ATOM 751 CD LYS A 403 -20.309 -1.064 -3.503 1.00 0.00 C ATOM 752 CE LYS A 403 -19.823 0.096 -4.360 1.00 0.00 C ATOM 753 NZ LYS A 403 -19.376 -0.356 -5.707 1.00 0.00 N ATOM 0 H LYS A 403 -17.168 -3.584 -0.588 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.536 -2.856 -3.342 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.371 -1.212 -1.540 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.681 -0.633 -3.043 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -18.876 -2.476 -4.258 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.622 -2.954 -2.746 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -21.170 -1.533 -3.979 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.645 -0.687 -2.537 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.624 0.827 -4.470 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -18.999 0.600 -3.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -19.279 0.467 -6.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -18.458 -0.838 -5.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -20.078 -1.013 -6.103 1.00 0.00 H new ATOM 767 N CYS A 404 -14.735 -1.360 -2.530 1.00 0.00 N ATOM 768 CA CYS A 404 -13.563 -0.632 -2.057 1.00 0.00 C ATOM 769 C CYS A 404 -13.538 0.762 -2.682 1.00 0.00 C ATOM 770 O CYS A 404 -13.631 0.900 -3.902 1.00 0.00 O ATOM 771 CB CYS A 404 -12.285 -1.397 -2.422 1.00 0.00 C ATOM 772 SG CYS A 404 -10.747 -0.644 -1.796 1.00 0.00 S ATOM 0 H CYS A 404 -14.749 -1.519 -3.537 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.615 -0.536 -0.972 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.361 -2.413 -2.034 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.221 -1.475 -3.507 1.00 0.00 H new ATOM 777 N THR A 405 -13.423 1.797 -1.850 1.00 0.00 N ATOM 778 CA THR A 405 -13.402 3.170 -2.352 1.00 0.00 C ATOM 779 C THR A 405 -12.389 4.030 -1.605 1.00 0.00 C ATOM 780 O THR A 405 -12.366 4.059 -0.377 1.00 0.00 O ATOM 781 CB THR A 405 -14.784 3.839 -2.244 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.190 3.908 -0.872 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.824 3.074 -3.047 1.00 0.00 C ATOM 0 H THR A 405 -13.344 1.713 -0.837 1.00 0.00 H new ATOM 0 HA THR A 405 -13.114 3.101 -3.401 1.00 0.00 H new ATOM 0 HB THR A 405 -14.705 4.847 -2.651 1.00 0.00 H new ATOM 0 HG1 THR A 405 -14.404 4.056 -0.305 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.791 3.568 -2.954 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.529 3.050 -4.096 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.899 2.055 -2.668 1.00 0.00 H new ATOM 791 N LEU A 406 -11.562 4.731 -2.370 1.00 0.00 N ATOM 792 CA LEU A 406 -10.532 5.603 -1.823 1.00 0.00 C ATOM 793 C LEU A 406 -11.132 6.672 -0.921 1.00 0.00 C ATOM 794 O LEU A 406 -12.218 7.189 -1.182 1.00 0.00 O ATOM 795 CB LEU A 406 -9.758 6.259 -2.970 1.00 0.00 C ATOM 796 CG LEU A 406 -8.439 6.943 -2.601 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.678 8.268 -1.897 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.585 6.024 -1.745 1.00 0.00 C ATOM 0 H LEU A 406 -11.587 4.710 -3.389 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.855 4.999 -1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.549 5.496 -3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.406 6.999 -3.440 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.902 7.155 -3.526 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.721 8.726 -1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.240 8.933 -2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.246 8.097 -0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.651 6.526 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.123 5.775 -0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.367 5.110 -2.298 1.00 0.00 H new ATOM 810 N ASP A 407 -10.399 7.010 0.131 1.00 0.00 N ATOM 811 CA ASP A 407 -10.833 8.033 1.070 1.00 0.00 C ATOM 812 C ASP A 407 -9.733 9.073 1.236 1.00 0.00 C ATOM 813 O ASP A 407 -8.577 8.728 1.480 1.00 0.00 O ATOM 814 CB ASP A 407 -11.179 7.407 2.423 1.00 0.00 C ATOM 815 CG ASP A 407 -11.711 8.422 3.419 1.00 0.00 C ATOM 816 OD1 ASP A 407 -11.870 9.603 3.042 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.976 8.034 4.575 1.00 0.00 O ATOM 0 H ASP A 407 -9.498 6.588 0.355 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.728 8.517 0.678 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.922 6.623 2.277 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.290 6.930 2.836 1.00 0.00 H new ATOM 822 N LYS A 408 -10.091 10.342 1.086 1.00 0.00 N ATOM 823 CA LYS A 408 -9.120 11.421 1.205 1.00 0.00 C ATOM 824 C LYS A 408 -8.551 11.503 2.616 1.00 0.00 C ATOM 825 O LYS A 408 -7.348 11.358 2.813 1.00 0.00 O ATOM 826 CB LYS A 408 -9.760 12.754 0.827 1.00 0.00 C ATOM 827 CG LYS A 408 -10.317 12.784 -0.588 1.00 0.00 C ATOM 828 CD LYS A 408 -11.019 14.100 -0.899 1.00 0.00 C ATOM 829 CE LYS A 408 -12.345 14.234 -0.159 1.00 0.00 C ATOM 830 NZ LYS A 408 -12.167 14.306 1.318 1.00 0.00 N ATOM 0 H LYS A 408 -11.043 10.648 0.883 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.301 11.207 0.519 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -10.564 12.973 1.529 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.019 13.546 0.933 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -9.506 12.629 -1.300 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.018 11.960 -0.719 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -10.368 14.930 -0.627 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -11.195 14.171 -1.972 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -12.861 15.130 -0.504 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -12.982 13.384 -0.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -12.951 14.846 1.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -12.159 13.344 1.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -11.266 14.778 1.537 1.00 0.00 H new ATOM 844 N GLU A 409 -9.426 11.735 3.594 1.00 0.00 N ATOM 845 CA GLU A 409 -9.009 11.841 4.991 1.00 0.00 C ATOM 846 C GLU A 409 -8.154 10.646 5.399 1.00 0.00 C ATOM 847 O GLU A 409 -7.155 10.793 6.108 1.00 0.00 O ATOM 848 CB GLU A 409 -10.233 11.944 5.901 1.00 0.00 C ATOM 849 CG GLU A 409 -11.085 13.174 5.633 1.00 0.00 C ATOM 850 CD GLU A 409 -12.287 13.266 6.554 1.00 0.00 C ATOM 851 OE1 GLU A 409 -12.088 13.334 7.785 1.00 0.00 O ATOM 852 OE2 GLU A 409 -13.427 13.270 6.043 1.00 0.00 O ATOM 0 H GLU A 409 -10.428 11.853 3.444 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.408 12.744 5.097 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.846 11.052 5.774 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -9.903 11.959 6.940 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -10.473 14.068 5.751 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -11.426 13.156 4.598 1.00 0.00 H new ATOM 859 N GLU A 410 -8.543 9.467 4.932 1.00 0.00 N ATOM 860 CA GLU A 410 -7.803 8.250 5.233 1.00 0.00 C ATOM 861 C GLU A 410 -6.439 8.316 4.570 1.00 0.00 C ATOM 862 O GLU A 410 -5.416 8.030 5.190 1.00 0.00 O ATOM 863 CB GLU A 410 -8.573 7.018 4.754 1.00 0.00 C ATOM 864 CG GLU A 410 -7.909 5.702 5.125 1.00 0.00 C ATOM 865 CD GLU A 410 -8.741 4.497 4.727 1.00 0.00 C ATOM 866 OE1 GLU A 410 -9.041 4.354 3.524 1.00 0.00 O ATOM 867 OE2 GLU A 410 -9.089 3.696 5.619 1.00 0.00 O ATOM 0 H GLU A 410 -9.365 9.328 4.344 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.675 8.166 6.312 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -9.577 7.040 5.177 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.683 7.067 3.671 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -6.934 5.642 4.641 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -7.733 5.678 6.200 1.00 0.00 H new ATOM 874 N ALA A 411 -6.439 8.722 3.305 1.00 0.00 N ATOM 875 CA ALA A 411 -5.209 8.864 2.544 1.00 0.00 C ATOM 876 C ALA A 411 -4.254 9.819 3.254 1.00 0.00 C ATOM 877 O ALA A 411 -3.036 9.658 3.192 1.00 0.00 O ATOM 878 CB ALA A 411 -5.517 9.367 1.142 1.00 0.00 C ATOM 0 H ALA A 411 -7.284 8.959 2.785 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.729 7.889 2.468 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.589 9.470 0.580 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.170 8.656 0.636 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.013 10.336 1.204 1.00 0.00 H new ATOM 884 N LYS A 412 -4.819 10.820 3.928 1.00 0.00 N ATOM 885 CA LYS A 412 -4.017 11.801 4.650 1.00 0.00 C ATOM 886 C LYS A 412 -3.230 11.123 5.763 1.00 0.00 C ATOM 887 O LYS A 412 -2.026 11.329 5.904 1.00 0.00 O ATOM 888 CB LYS A 412 -4.900 12.898 5.258 1.00 0.00 C ATOM 889 CG LYS A 412 -5.999 13.418 4.342 1.00 0.00 C ATOM 890 CD LYS A 412 -5.500 13.675 2.931 1.00 0.00 C ATOM 891 CE LYS A 412 -6.534 14.421 2.103 1.00 0.00 C ATOM 892 NZ LYS A 412 -6.043 14.705 0.727 1.00 0.00 N ATOM 0 H LYS A 412 -5.826 10.971 3.988 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.330 12.256 3.936 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -5.358 12.512 6.168 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.265 13.734 5.551 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.815 12.696 4.311 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -6.406 14.341 4.755 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -4.577 14.253 2.970 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -5.262 12.727 2.450 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -7.449 13.831 2.047 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -6.788 15.358 2.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -6.777 15.215 0.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -5.184 15.289 0.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -5.824 13.810 0.245 1.00 0.00 H new ATOM 906 N LYS A 413 -3.931 10.318 6.557 1.00 0.00 N ATOM 907 CA LYS A 413 -3.314 9.604 7.671 1.00 0.00 C ATOM 908 C LYS A 413 -2.292 8.585 7.180 1.00 0.00 C ATOM 909 O LYS A 413 -1.188 8.493 7.716 1.00 0.00 O ATOM 910 CB LYS A 413 -4.388 8.894 8.497 1.00 0.00 C ATOM 911 CG LYS A 413 -5.479 9.817 9.012 1.00 0.00 C ATOM 912 CD LYS A 413 -4.933 10.843 9.994 1.00 0.00 C ATOM 913 CE LYS A 413 -6.033 11.755 10.513 1.00 0.00 C ATOM 914 NZ LYS A 413 -5.512 12.755 11.485 1.00 0.00 N ATOM 0 H LYS A 413 -4.930 10.144 6.449 1.00 0.00 H new ATOM 0 HA LYS A 413 -2.797 10.336 8.291 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -4.844 8.113 7.888 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -3.913 8.400 9.345 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -5.947 10.331 8.172 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -6.256 9.226 9.498 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -4.458 10.331 10.831 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -4.162 11.441 9.507 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -6.501 12.272 9.676 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -6.808 11.155 10.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -6.293 13.358 11.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -5.088 12.262 12.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -4.791 13.345 11.023 1.00 0.00 H new ATOM 928 N VAL A 414 -2.676 7.811 6.170 1.00 0.00 N ATOM 929 CA VAL A 414 -1.802 6.781 5.616 1.00 0.00 C ATOM 930 C VAL A 414 -0.462 7.368 5.172 1.00 0.00 C ATOM 931 O VAL A 414 0.587 6.747 5.347 1.00 0.00 O ATOM 932 CB VAL A 414 -2.473 6.045 4.440 1.00 0.00 C ATOM 933 CG1 VAL A 414 -2.324 6.829 3.159 1.00 0.00 C ATOM 934 CG2 VAL A 414 -1.905 4.642 4.288 1.00 0.00 C ATOM 0 H VAL A 414 -3.588 7.877 5.717 1.00 0.00 H new ATOM 0 HA VAL A 414 -1.616 6.059 6.411 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.537 5.957 4.658 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -2.806 6.289 2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -2.793 7.806 3.274 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -1.266 6.959 2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -2.393 4.141 3.452 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -0.833 4.702 4.100 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -2.082 4.077 5.203 1.00 0.00 H new ATOM 944 N ALA A 415 -0.507 8.563 4.594 1.00 0.00 N ATOM 945 CA ALA A 415 0.699 9.237 4.121 1.00 0.00 C ATOM 946 C ALA A 415 1.432 9.935 5.261 1.00 0.00 C ATOM 947 O ALA A 415 2.662 9.997 5.276 1.00 0.00 O ATOM 948 CB ALA A 415 0.346 10.238 3.033 1.00 0.00 C ATOM 0 H ALA A 415 -1.368 9.087 4.441 1.00 0.00 H new ATOM 0 HA ALA A 415 1.366 8.480 3.710 1.00 0.00 H new ATOM 0 HB1 ALA A 415 1.253 10.735 2.688 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -0.123 9.718 2.198 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -0.345 10.981 3.432 1.00 0.00 H new ATOM 954 N ASP A 416 0.668 10.473 6.205 1.00 0.00 N ATOM 955 CA ASP A 416 1.236 11.183 7.346 1.00 0.00 C ATOM 956 C ASP A 416 1.724 10.208 8.414 1.00 0.00 C ATOM 957 O ASP A 416 1.574 10.449 9.611 1.00 0.00 O ATOM 958 CB ASP A 416 0.197 12.134 7.940 1.00 0.00 C ATOM 959 CG ASP A 416 0.779 13.061 8.994 1.00 0.00 C ATOM 960 OD1 ASP A 416 2.006 13.004 9.227 1.00 0.00 O ATOM 961 OD2 ASP A 416 0.008 13.848 9.581 1.00 0.00 O ATOM 0 H ASP A 416 -0.351 10.431 6.203 1.00 0.00 H new ATOM 0 HA ASP A 416 2.093 11.759 6.996 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.241 12.731 7.140 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -0.611 11.551 8.382 1.00 0.00 H new ATOM 966 N GLU A 417 2.312 9.108 7.970 1.00 0.00 N ATOM 967 CA GLU A 417 2.827 8.094 8.888 1.00 0.00 C ATOM 968 C GLU A 417 3.858 7.200 8.206 1.00 0.00 C ATOM 969 O GLU A 417 4.855 6.815 8.816 1.00 0.00 O ATOM 970 CB GLU A 417 1.681 7.244 9.442 1.00 0.00 C ATOM 971 CG GLU A 417 0.937 6.449 8.382 1.00 0.00 C ATOM 972 CD GLU A 417 -0.196 5.622 8.960 1.00 0.00 C ATOM 973 OE1 GLU A 417 -0.385 5.651 10.194 1.00 0.00 O ATOM 974 OE2 GLU A 417 -0.894 4.942 8.177 1.00 0.00 O ATOM 0 H GLU A 417 2.446 8.891 6.982 1.00 0.00 H new ATOM 0 HA GLU A 417 3.318 8.611 9.712 1.00 0.00 H new ATOM 0 HB2 GLU A 417 2.080 6.555 10.186 1.00 0.00 H new ATOM 0 HB3 GLU A 417 0.974 7.895 9.957 1.00 0.00 H new ATOM 0 HG2 GLU A 417 0.537 7.134 7.634 1.00 0.00 H new ATOM 0 HG3 GLU A 417 1.638 5.790 7.869 1.00 0.00 H new ATOM 981 N THR A 418 3.609 6.866 6.943 1.00 0.00 N ATOM 982 CA THR A 418 4.515 6.010 6.184 1.00 0.00 C ATOM 983 C THR A 418 5.740 6.779 5.691 1.00 0.00 C ATOM 984 O THR A 418 6.188 6.582 4.561 1.00 0.00 O ATOM 985 CB THR A 418 3.805 5.377 4.974 1.00 0.00 C ATOM 986 OG1 THR A 418 3.288 6.402 4.116 1.00 0.00 O ATOM 987 CG2 THR A 418 2.673 4.467 5.423 1.00 0.00 C ATOM 0 H THR A 418 2.787 7.175 6.424 1.00 0.00 H new ATOM 0 HA THR A 418 4.840 5.224 6.866 1.00 0.00 H new ATOM 0 HB THR A 418 4.534 4.779 4.427 1.00 0.00 H new ATOM 0 HG1 THR A 418 2.384 6.646 4.406 1.00 0.00 H new ATOM 0 HG21 THR A 418 2.187 4.032 4.549 1.00 0.00 H new ATOM 0 HG22 THR A 418 3.074 3.670 6.050 1.00 0.00 H new ATOM 0 HG23 THR A 418 1.945 5.045 5.992 1.00 0.00 H new ATOM 995 N ALA A 419 6.284 7.648 6.542 1.00 0.00 N ATOM 996 CA ALA A 419 7.462 8.433 6.181 1.00 0.00 C ATOM 997 C ALA A 419 7.962 9.263 7.359 1.00 0.00 C ATOM 998 O ALA A 419 9.125 9.164 7.750 1.00 0.00 O ATOM 999 CB ALA A 419 7.152 9.339 4.998 1.00 0.00 C ATOM 0 H ALA A 419 5.929 7.825 7.482 1.00 0.00 H new ATOM 0 HA ALA A 419 8.252 7.736 5.901 1.00 0.00 H new ATOM 0 HB1 ALA A 419 8.039 9.918 4.741 1.00 0.00 H new ATOM 0 HB2 ALA A 419 6.854 8.732 4.143 1.00 0.00 H new ATOM 0 HB3 ALA A 419 6.340 10.017 5.262 1.00 0.00 H new ATOM 1005 N LYS A 420 7.080 10.085 7.920 1.00 0.00 N ATOM 1006 CA LYS A 420 7.439 10.935 9.049 1.00 0.00 C ATOM 1007 C LYS A 420 7.517 10.132 10.341 1.00 0.00 C ATOM 1008 O LYS A 420 8.522 10.173 11.052 1.00 0.00 O ATOM 1009 CB LYS A 420 6.427 12.074 9.203 1.00 0.00 C ATOM 1010 CG LYS A 420 6.370 13.009 8.005 1.00 0.00 C ATOM 1011 CD LYS A 420 7.701 13.708 7.774 1.00 0.00 C ATOM 1012 CE LYS A 420 7.630 14.658 6.591 1.00 0.00 C ATOM 1013 NZ LYS A 420 6.613 15.725 6.796 1.00 0.00 N ATOM 0 H LYS A 420 6.113 10.180 7.611 1.00 0.00 H new ATOM 0 HA LYS A 420 8.424 11.357 8.848 1.00 0.00 H new ATOM 0 HB2 LYS A 420 5.437 11.648 9.368 1.00 0.00 H new ATOM 0 HB3 LYS A 420 6.677 12.652 10.092 1.00 0.00 H new ATOM 0 HG2 LYS A 420 6.097 12.443 7.114 1.00 0.00 H new ATOM 0 HG3 LYS A 420 5.590 13.754 8.161 1.00 0.00 H new ATOM 0 HD2 LYS A 420 7.984 14.261 8.670 1.00 0.00 H new ATOM 0 HD3 LYS A 420 8.479 12.965 7.599 1.00 0.00 H new ATOM 0 HE2 LYS A 420 8.607 15.114 6.432 1.00 0.00 H new ATOM 0 HE3 LYS A 420 7.390 14.096 5.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 6.754 16.479 6.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 5.660 15.322 6.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 6.713 16.121 7.753 1.00 0.00 H new ATOM 1027 N ASP A 421 6.448 9.407 10.640 1.00 0.00 N ATOM 1028 CA ASP A 421 6.385 8.596 11.850 1.00 0.00 C ATOM 1029 C ASP A 421 7.214 7.323 11.707 1.00 0.00 C ATOM 1030 O ASP A 421 7.042 6.560 10.757 1.00 0.00 O ATOM 1031 CB ASP A 421 4.934 8.238 12.173 1.00 0.00 C ATOM 1032 CG ASP A 421 4.079 9.464 12.425 1.00 0.00 C ATOM 1033 OD1 ASP A 421 4.415 10.243 13.343 1.00 0.00 O ATOM 1034 OD2 ASP A 421 3.074 9.646 11.707 1.00 0.00 O ATOM 0 H ASP A 421 5.610 9.363 10.060 1.00 0.00 H new ATOM 0 HA ASP A 421 6.801 9.184 12.668 1.00 0.00 H new ATOM 0 HB2 ASP A 421 4.511 7.667 11.347 1.00 0.00 H new ATOM 0 HB3 ASP A 421 4.909 7.594 13.052 1.00 0.00 H new ATOM 1039 N GLY A 422 8.107 7.098 12.665 1.00 0.00 N ATOM 1040 CA GLY A 422 8.944 5.913 12.641 1.00 0.00 C ATOM 1041 C GLY A 422 8.189 4.671 13.067 1.00 0.00 C ATOM 1042 O GLY A 422 7.102 4.393 12.560 1.00 0.00 O ATOM 0 H GLY A 422 8.266 7.717 13.460 1.00 0.00 H new ATOM 0 HA2 GLY A 422 9.339 5.769 11.635 1.00 0.00 H new ATOM 0 HA3 GLY A 422 9.799 6.061 13.301 1.00 0.00 H new ATOM 1046 N LYS A 423 8.765 3.923 14.003 1.00 0.00 N ATOM 1047 CA LYS A 423 8.138 2.704 14.502 1.00 0.00 C ATOM 1048 C LYS A 423 6.780 3.008 15.129 1.00 0.00 C ATOM 1049 O LYS A 423 5.804 2.297 14.891 1.00 0.00 O ATOM 1050 CB LYS A 423 9.047 2.020 15.527 1.00 0.00 C ATOM 1051 CG LYS A 423 10.380 1.568 14.951 1.00 0.00 C ATOM 1052 CD LYS A 423 11.243 0.884 16.001 1.00 0.00 C ATOM 1053 CE LYS A 423 11.641 1.843 17.114 1.00 0.00 C ATOM 1054 NZ LYS A 423 12.443 2.987 16.599 1.00 0.00 N ATOM 0 H LYS A 423 9.665 4.140 14.431 1.00 0.00 H new ATOM 0 HA LYS A 423 7.985 2.031 13.658 1.00 0.00 H new ATOM 0 HB2 LYS A 423 9.232 2.707 16.353 1.00 0.00 H new ATOM 0 HB3 LYS A 423 8.528 1.156 15.942 1.00 0.00 H new ATOM 0 HG2 LYS A 423 10.205 0.883 14.121 1.00 0.00 H new ATOM 0 HG3 LYS A 423 10.912 2.429 14.547 1.00 0.00 H new ATOM 0 HD2 LYS A 423 10.700 0.040 16.425 1.00 0.00 H new ATOM 0 HD3 LYS A 423 12.140 0.482 15.529 1.00 0.00 H new ATOM 0 HE2 LYS A 423 10.745 2.220 17.606 1.00 0.00 H new ATOM 0 HE3 LYS A 423 12.217 1.306 17.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 12.906 3.472 17.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 13.167 2.635 15.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 11.818 3.654 16.103 1.00 0.00 H new ATOM 1068 N THR A 424 6.726 4.073 15.927 1.00 0.00 N ATOM 1069 CA THR A 424 5.488 4.479 16.587 1.00 0.00 C ATOM 1070 C THR A 424 5.446 5.990 16.788 1.00 0.00 C ATOM 1071 O THR A 424 6.426 6.596 17.221 1.00 0.00 O ATOM 1072 CB THR A 424 5.324 3.796 17.961 1.00 0.00 C ATOM 1073 OG1 THR A 424 6.457 4.081 18.789 1.00 0.00 O ATOM 1074 CG2 THR A 424 5.166 2.290 17.811 1.00 0.00 C ATOM 0 H THR A 424 7.527 4.671 16.132 1.00 0.00 H new ATOM 0 HA THR A 424 4.671 4.170 15.935 1.00 0.00 H new ATOM 0 HB THR A 424 4.422 4.192 18.428 1.00 0.00 H new ATOM 0 HG1 THR A 424 6.344 3.645 19.659 1.00 0.00 H new ATOM 0 HG21 THR A 424 5.052 1.836 18.796 1.00 0.00 H new ATOM 0 HG22 THR A 424 4.284 2.075 17.208 1.00 0.00 H new ATOM 0 HG23 THR A 424 6.049 1.879 17.321 1.00 0.00 H new ATOM 1082 N GLY A 425 4.303 6.592 16.471 1.00 0.00 N ATOM 1083 CA GLY A 425 4.153 8.029 16.622 1.00 0.00 C ATOM 1084 C GLY A 425 2.809 8.529 16.130 1.00 0.00 C ATOM 1085 O GLY A 425 2.740 9.500 15.377 1.00 0.00 O ATOM 0 H GLY A 425 3.478 6.111 16.112 1.00 0.00 H new ATOM 0 HA2 GLY A 425 4.273 8.295 17.672 1.00 0.00 H new ATOM 0 HA3 GLY A 425 4.948 8.533 16.072 1.00 0.00 H new ATOM 1089 N ASN A 426 1.739 7.864 16.558 1.00 0.00 N ATOM 1090 CA ASN A 426 0.388 8.243 16.158 1.00 0.00 C ATOM 1091 C ASN A 426 -0.658 7.467 16.953 1.00 0.00 C ATOM 1092 O ASN A 426 -0.548 6.253 17.123 1.00 0.00 O ATOM 1093 CB ASN A 426 0.191 8.002 14.659 1.00 0.00 C ATOM 1094 CG ASN A 426 0.480 6.567 14.262 1.00 0.00 C ATOM 1095 OD1 ASN A 426 1.597 6.076 14.435 1.00 0.00 O ATOM 1096 ND2 ASN A 426 -0.527 5.885 13.730 1.00 0.00 N ATOM 0 H ASN A 426 1.782 7.059 17.183 1.00 0.00 H new ATOM 0 HA ASN A 426 0.260 9.305 16.369 1.00 0.00 H new ATOM 0 HB2 ASN A 426 -0.834 8.253 14.385 1.00 0.00 H new ATOM 0 HB3 ASN A 426 0.844 8.670 14.097 1.00 0.00 H new ATOM 0 HD21 ASN A 426 -0.392 4.915 13.446 1.00 0.00 H new ATOM 0 HD22 ASN A 426 -1.436 6.331 13.605 1.00 0.00 H new ATOM 1103 N THR A 427 -1.670 8.181 17.441 1.00 0.00 N ATOM 1104 CA THR A 427 -2.738 7.568 18.223 1.00 0.00 C ATOM 1105 C THR A 427 -3.574 6.614 17.375 1.00 0.00 C ATOM 1106 O THR A 427 -3.921 6.921 16.234 1.00 0.00 O ATOM 1107 CB THR A 427 -3.665 8.634 18.838 1.00 0.00 C ATOM 1108 OG1 THR A 427 -4.246 9.435 17.802 1.00 0.00 O ATOM 1109 CG2 THR A 427 -2.897 9.524 19.804 1.00 0.00 C ATOM 0 H THR A 427 -1.772 9.187 17.307 1.00 0.00 H new ATOM 0 HA THR A 427 -2.256 7.006 19.023 1.00 0.00 H new ATOM 0 HB THR A 427 -4.456 8.124 19.388 1.00 0.00 H new ATOM 0 HG1 THR A 427 -4.835 10.109 18.201 1.00 0.00 H new ATOM 0 HG21 THR A 427 -3.571 10.269 20.226 1.00 0.00 H new ATOM 0 HG22 THR A 427 -2.480 8.915 20.607 1.00 0.00 H new ATOM 0 HG23 THR A 427 -2.089 10.026 19.272 1.00 0.00 H new ATOM 1117 N ASN A 428 -3.893 5.453 17.943 1.00 0.00 N ATOM 1118 CA ASN A 428 -4.683 4.449 17.248 1.00 0.00 C ATOM 1119 C ASN A 428 -6.150 4.872 17.160 1.00 0.00 C ATOM 1120 O ASN A 428 -6.453 6.057 17.029 1.00 0.00 O ATOM 1121 CB ASN A 428 -4.556 3.098 17.956 1.00 0.00 C ATOM 1122 CG ASN A 428 -4.950 3.166 19.420 1.00 0.00 C ATOM 1123 OD1 ASN A 428 -6.086 3.503 19.755 1.00 0.00 O ATOM 1124 ND2 ASN A 428 -4.011 2.841 20.301 1.00 0.00 N ATOM 0 H ASN A 428 -3.613 5.187 18.887 1.00 0.00 H new ATOM 0 HA ASN A 428 -4.300 4.352 16.232 1.00 0.00 H new ATOM 0 HB2 ASN A 428 -5.184 2.366 17.448 1.00 0.00 H new ATOM 0 HB3 ASN A 428 -3.528 2.746 17.876 1.00 0.00 H new ATOM 0 HD21 ASN A 428 -4.218 2.865 21.299 1.00 0.00 H new ATOM 0 HD22 ASN A 428 -3.083 2.567 19.979 1.00 0.00 H new ATOM 1131 N THR A 429 -7.057 3.900 17.240 1.00 0.00 N ATOM 1132 CA THR A 429 -8.484 4.186 17.174 1.00 0.00 C ATOM 1133 C THR A 429 -8.929 5.001 18.382 1.00 0.00 C ATOM 1134 O THR A 429 -8.803 4.554 19.523 1.00 0.00 O ATOM 1135 CB THR A 429 -9.316 2.892 17.107 1.00 0.00 C ATOM 1136 OG1 THR A 429 -9.088 2.102 18.281 1.00 0.00 O ATOM 1137 CG2 THR A 429 -8.958 2.081 15.870 1.00 0.00 C ATOM 0 H THR A 429 -6.828 2.912 17.350 1.00 0.00 H new ATOM 0 HA THR A 429 -8.653 4.761 16.263 1.00 0.00 H new ATOM 0 HB THR A 429 -10.369 3.167 17.051 1.00 0.00 H new ATOM 0 HG1 THR A 429 -9.002 2.691 19.060 1.00 0.00 H new ATOM 0 HG21 THR A 429 -9.559 1.172 15.845 1.00 0.00 H new ATOM 0 HG22 THR A 429 -9.158 2.673 14.977 1.00 0.00 H new ATOM 0 HG23 THR A 429 -7.901 1.817 15.901 1.00 0.00 H new ATOM 1145 N THR A 430 -9.448 6.197 18.124 1.00 0.00 N ATOM 1146 CA THR A 430 -9.913 7.080 19.187 1.00 0.00 C ATOM 1147 C THR A 430 -8.838 7.245 20.263 1.00 0.00 C ATOM 1148 O THR A 430 -9.131 7.253 21.460 1.00 0.00 O ATOM 1149 CB THR A 430 -11.212 6.546 19.829 1.00 0.00 C ATOM 1150 OG1 THR A 430 -12.149 6.187 18.807 1.00 0.00 O ATOM 1151 CG2 THR A 430 -11.843 7.592 20.739 1.00 0.00 C ATOM 0 H THR A 430 -9.557 6.578 17.184 1.00 0.00 H new ATOM 0 HA THR A 430 -10.121 8.051 18.738 1.00 0.00 H new ATOM 0 HB THR A 430 -10.957 5.670 20.425 1.00 0.00 H new ATOM 0 HG1 THR A 430 -12.970 5.847 19.221 1.00 0.00 H new ATOM 0 HG21 THR A 430 -12.756 7.189 21.178 1.00 0.00 H new ATOM 0 HG22 THR A 430 -11.143 7.853 21.533 1.00 0.00 H new ATOM 0 HG23 THR A 430 -12.082 8.483 20.158 1.00 0.00 H new ATOM 1159 N GLY A 431 -7.585 7.377 19.829 1.00 0.00 N ATOM 1160 CA GLY A 431 -6.491 7.543 20.765 1.00 0.00 C ATOM 1161 C GLY A 431 -6.580 8.850 21.522 1.00 0.00 C ATOM 1162 O GLY A 431 -6.900 9.888 20.939 1.00 0.00 O ATOM 0 H GLY A 431 -7.311 7.372 18.846 1.00 0.00 H new ATOM 0 HA2 GLY A 431 -6.492 6.714 21.473 1.00 0.00 H new ATOM 0 HA3 GLY A 431 -5.544 7.501 20.226 1.00 0.00 H new ATOM 1166 N SER A 432 -6.303 8.804 22.820 1.00 0.00 N ATOM 1167 CA SER A 432 -6.361 10.000 23.649 1.00 0.00 C ATOM 1168 C SER A 432 -5.446 11.086 23.096 1.00 0.00 C ATOM 1169 O SER A 432 -4.222 10.967 23.149 1.00 0.00 O ATOM 1170 CB SER A 432 -5.968 9.668 25.090 1.00 0.00 C ATOM 1171 OG SER A 432 -4.653 9.143 25.153 1.00 0.00 O ATOM 0 H SER A 432 -6.037 7.955 23.319 1.00 0.00 H new ATOM 0 HA SER A 432 -7.386 10.372 23.638 1.00 0.00 H new ATOM 0 HB2 SER A 432 -6.034 10.566 25.704 1.00 0.00 H new ATOM 0 HB3 SER A 432 -6.671 8.946 25.505 1.00 0.00 H new ATOM 0 HG SER A 432 -4.089 9.594 24.491 1.00 0.00 H new ATOM 1177 N SER A 433 -6.056 12.142 22.563 1.00 0.00 N ATOM 1178 CA SER A 433 -5.316 13.265 21.989 1.00 0.00 C ATOM 1179 C SER A 433 -4.262 12.778 20.997 1.00 0.00 C ATOM 1180 O SER A 433 -4.640 12.085 20.030 1.00 0.00 O ATOM 1181 CB SER A 433 -4.660 14.103 23.093 1.00 0.00 C ATOM 1182 OG SER A 433 -3.694 13.351 23.807 1.00 0.00 O ATOM 1183 OXT SER A 433 -3.070 13.094 21.195 1.00 0.00 O ATOM 0 H SER A 433 -7.070 12.244 22.516 1.00 0.00 H new ATOM 0 HA SER A 433 -6.027 13.893 21.451 1.00 0.00 H new ATOM 0 HB2 SER A 433 -4.187 14.981 22.653 1.00 0.00 H new ATOM 0 HB3 SER A 433 -5.424 14.463 23.781 1.00 0.00 H new ATOM 0 HG SER A 433 -3.608 12.462 23.404 1.00 0.00 H new TER 1189 SER A 433