USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=27 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 X(o=0,f=0) USER MOD Set 1.2: A 405 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 377 THR OG1 : rot 171:sc= 1.02 USER MOD Set 2.2: A 380 SER OG : rot 100:sc= 1.06 USER MOD Single : A 355 SER OG : rot 180:sc= 0 USER MOD Single : A 356 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.00054) USER MOD Single : A 357 MET CE :methyl 159:sc= -0.217 (180deg=-0.851) USER MOD Single : A 362 THR OG1 : rot 180:sc= 0 USER MOD Single : A 363 GLN :FLIP amide:sc= -0.443 F(o=-2.7!,f=-0.44) USER MOD Single : A 364 LYS NZ :NH3+ -167:sc= -0.0348 (180deg=-0.2) USER MOD Single : A 365 HIS : no HD1:sc= -0.422 X(o=-0.42,f=-0.055) USER MOD Single : A 366 LYS NZ :NH3+ -147:sc= -3.46! (180deg=-6.14!) USER MOD Single : A 370 SER OG : rot 180:sc= 0 USER MOD Single : A 371 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 372 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 373 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 382 ASN :FLIP amide:sc= -2.38 F(o=-7.3!,f=-2.4) USER MOD Single : A 383 LYS NZ :NH3+ 167:sc= -0.0275 (180deg=-0.227) USER MOD Single : A 384 LYS NZ :NH3+ -120:sc= -0.0224 (180deg=-1.96!) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc= 0.406 K(o=0.41,f=-4!) USER MOD Single : A 390 LYS NZ :NH3+ -169:sc= -0.014 (180deg=-0.163) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ -144:sc= 0.348 (180deg=0.0155) USER MOD Single : A 397 ASN : amide:sc= -0.693 X(o=-0.69,f=-0.83) USER MOD Single : A 401 ASN : amide:sc= -0.976 X(o=-0.98,f=-1.1) USER MOD Single : A 402 LYS NZ :NH3+ -163:sc= -0.0531 (180deg=-0.311) USER MOD Single : A 403 LYS NZ :NH3+ -166:sc= -0.0397 (180deg=-0.247) USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -10:sc= 0.0267 USER MOD Single : A 420 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 423 LYS NZ :NH3+ -167:sc= -0.0346 (180deg=-0.271) USER MOD Single : A 424 THR OG1 : rot 14:sc= 0.47 USER MOD Single : A 426 ASN : amide:sc=-0.00199 X(o=-0.002,f=-0.002) USER MOD Single : A 427 THR OG1 : rot 180:sc= -0.204 USER MOD Single : A 428 ASN :FLIP amide:sc= -0.179 F(o=-1.8!,f=-0.18) USER MOD Single : A 429 THR OG1 : rot 43:sc= 0.12 USER MOD Single : A 430 THR OG1 : rot -56:sc= 1.07 USER MOD Single : A 432 SER OG : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 354 9.334 -5.553 -20.282 1.00 0.00 N ATOM 2 CA GLY A 354 8.075 -5.165 -19.588 1.00 0.00 C ATOM 3 C GLY A 354 7.581 -6.237 -18.637 1.00 0.00 C ATOM 4 O GLY A 354 7.569 -7.420 -18.978 1.00 0.00 O ATOM 0 HA2 GLY A 354 8.239 -4.241 -19.034 1.00 0.00 H new ATOM 0 HA3 GLY A 354 7.304 -4.959 -20.330 1.00 0.00 H new ATOM 10 N SER A 355 7.170 -5.821 -17.441 1.00 0.00 N ATOM 11 CA SER A 355 6.669 -6.749 -16.430 1.00 0.00 C ATOM 12 C SER A 355 7.719 -7.799 -16.080 1.00 0.00 C ATOM 13 O SER A 355 7.419 -8.992 -16.004 1.00 0.00 O ATOM 14 CB SER A 355 5.389 -7.430 -16.919 1.00 0.00 C ATOM 15 OG SER A 355 4.376 -6.478 -17.195 1.00 0.00 O ATOM 0 H SER A 355 7.174 -4.844 -17.148 1.00 0.00 H new ATOM 0 HA SER A 355 6.445 -6.176 -15.530 1.00 0.00 H new ATOM 0 HB2 SER A 355 5.602 -8.009 -17.818 1.00 0.00 H new ATOM 0 HB3 SER A 355 5.036 -8.132 -16.164 1.00 0.00 H new ATOM 0 HG SER A 355 3.570 -6.939 -17.507 1.00 0.00 H new ATOM 21 N HIS A 356 8.950 -7.348 -15.862 1.00 0.00 N ATOM 22 CA HIS A 356 10.045 -8.247 -15.515 1.00 0.00 C ATOM 23 C HIS A 356 9.734 -9.010 -14.233 1.00 0.00 C ATOM 24 O HIS A 356 9.301 -8.425 -13.240 1.00 0.00 O ATOM 25 CB HIS A 356 11.348 -7.459 -15.346 1.00 0.00 C ATOM 26 CG HIS A 356 11.800 -6.756 -16.591 1.00 0.00 C ATOM 27 ND1 HIS A 356 12.923 -5.955 -16.638 1.00 0.00 N ATOM 28 CD2 HIS A 356 11.278 -6.740 -17.842 1.00 0.00 C ATOM 29 CE1 HIS A 356 13.070 -5.477 -17.860 1.00 0.00 C ATOM 30 NE2 HIS A 356 12.086 -5.939 -18.610 1.00 0.00 N ATOM 0 H HIS A 356 9.215 -6.365 -15.920 1.00 0.00 H new ATOM 0 HA HIS A 356 10.164 -8.964 -16.327 1.00 0.00 H new ATOM 0 HB2 HIS A 356 11.216 -6.723 -14.553 1.00 0.00 H new ATOM 0 HB3 HIS A 356 12.134 -8.141 -15.020 1.00 0.00 H new ATOM 0 HD2 HIS A 356 10.391 -7.261 -18.173 1.00 0.00 H new ATOM 0 HE1 HIS A 356 13.861 -4.820 -18.190 1.00 0.00 H new ATOM 0 HE2 HIS A 356 11.949 -5.734 -19.600 1.00 0.00 H new ATOM 39 N MET A 357 9.958 -10.320 -14.262 1.00 0.00 N ATOM 40 CA MET A 357 9.701 -11.166 -13.101 1.00 0.00 C ATOM 41 C MET A 357 10.640 -10.814 -11.952 1.00 0.00 C ATOM 42 O MET A 357 10.211 -10.674 -10.807 1.00 0.00 O ATOM 43 CB MET A 357 9.854 -12.643 -13.476 1.00 0.00 C ATOM 44 CG MET A 357 11.213 -12.989 -14.063 1.00 0.00 C ATOM 45 SD MET A 357 11.342 -14.723 -14.537 1.00 0.00 S ATOM 46 CE MET A 357 10.042 -14.834 -15.765 1.00 0.00 C ATOM 0 H MET A 357 10.317 -10.819 -15.076 1.00 0.00 H new ATOM 0 HA MET A 357 8.677 -10.989 -12.771 1.00 0.00 H new ATOM 0 HB2 MET A 357 9.686 -13.253 -12.588 1.00 0.00 H new ATOM 0 HB3 MET A 357 9.080 -12.908 -14.196 1.00 0.00 H new ATOM 0 HG2 MET A 357 11.398 -12.363 -14.936 1.00 0.00 H new ATOM 0 HG3 MET A 357 11.989 -12.757 -13.334 1.00 0.00 H new ATOM 0 HE1 MET A 357 10.222 -15.695 -16.409 1.00 0.00 H new ATOM 0 HE2 MET A 357 9.079 -14.949 -15.267 1.00 0.00 H new ATOM 0 HE3 MET A 357 10.032 -13.926 -16.368 1.00 0.00 H new ATOM 56 N LEU A 358 11.922 -10.673 -12.267 1.00 0.00 N ATOM 57 CA LEU A 358 12.926 -10.335 -11.266 1.00 0.00 C ATOM 58 C LEU A 358 12.723 -8.918 -10.739 1.00 0.00 C ATOM 59 O LEU A 358 12.255 -8.037 -11.460 1.00 0.00 O ATOM 60 CB LEU A 358 14.337 -10.507 -11.842 1.00 0.00 C ATOM 61 CG LEU A 358 14.588 -9.854 -13.207 1.00 0.00 C ATOM 62 CD1 LEU A 358 14.697 -8.343 -13.082 1.00 0.00 C ATOM 63 CD2 LEU A 358 15.844 -10.428 -13.844 1.00 0.00 C ATOM 0 H LEU A 358 12.291 -10.788 -13.211 1.00 0.00 H new ATOM 0 HA LEU A 358 12.811 -11.020 -10.426 1.00 0.00 H new ATOM 0 HB2 LEU A 358 15.052 -10.098 -11.128 1.00 0.00 H new ATOM 0 HB3 LEU A 358 14.546 -11.573 -11.927 1.00 0.00 H new ATOM 0 HG LEU A 358 13.736 -10.076 -13.849 1.00 0.00 H new ATOM 0 HD11 LEU A 358 14.875 -7.908 -14.066 1.00 0.00 H new ATOM 0 HD12 LEU A 358 13.769 -7.944 -12.671 1.00 0.00 H new ATOM 0 HD13 LEU A 358 15.525 -8.092 -12.419 1.00 0.00 H new ATOM 0 HD21 LEU A 358 16.010 -9.955 -14.812 1.00 0.00 H new ATOM 0 HD22 LEU A 358 16.700 -10.238 -13.196 1.00 0.00 H new ATOM 0 HD23 LEU A 358 15.724 -11.503 -13.981 1.00 0.00 H new ATOM 75 N GLU A 359 13.072 -8.708 -9.472 1.00 0.00 N ATOM 76 CA GLU A 359 12.924 -7.400 -8.843 1.00 0.00 C ATOM 77 C GLU A 359 13.653 -7.355 -7.504 1.00 0.00 C ATOM 78 O GLU A 359 13.568 -8.289 -6.707 1.00 0.00 O ATOM 79 CB GLU A 359 11.441 -7.071 -8.646 1.00 0.00 C ATOM 80 CG GLU A 359 11.197 -5.704 -8.028 1.00 0.00 C ATOM 81 CD GLU A 359 11.769 -4.576 -8.864 1.00 0.00 C ATOM 82 OE1 GLU A 359 11.340 -4.421 -10.027 1.00 0.00 O ATOM 83 OE2 GLU A 359 12.648 -3.847 -8.357 1.00 0.00 O ATOM 0 H GLU A 359 13.459 -9.428 -8.861 1.00 0.00 H new ATOM 0 HA GLU A 359 13.369 -6.654 -9.501 1.00 0.00 H new ATOM 0 HB2 GLU A 359 10.936 -7.120 -9.611 1.00 0.00 H new ATOM 0 HB3 GLU A 359 10.990 -7.833 -8.011 1.00 0.00 H new ATOM 0 HG2 GLU A 359 10.125 -5.552 -7.904 1.00 0.00 H new ATOM 0 HG3 GLU A 359 11.641 -5.675 -7.033 1.00 0.00 H new ATOM 90 N VAL A 360 14.374 -6.262 -7.266 1.00 0.00 N ATOM 91 CA VAL A 360 15.123 -6.089 -6.026 1.00 0.00 C ATOM 92 C VAL A 360 14.197 -6.086 -4.812 1.00 0.00 C ATOM 93 O VAL A 360 13.113 -5.504 -4.846 1.00 0.00 O ATOM 94 CB VAL A 360 15.946 -4.785 -6.041 1.00 0.00 C ATOM 95 CG1 VAL A 360 16.966 -4.811 -7.168 1.00 0.00 C ATOM 96 CG2 VAL A 360 15.032 -3.575 -6.171 1.00 0.00 C ATOM 0 H VAL A 360 14.455 -5.482 -7.918 1.00 0.00 H new ATOM 0 HA VAL A 360 15.804 -6.936 -5.951 1.00 0.00 H new ATOM 0 HB VAL A 360 16.482 -4.707 -5.095 1.00 0.00 H new ATOM 0 HG11 VAL A 360 17.537 -3.883 -7.163 1.00 0.00 H new ATOM 0 HG12 VAL A 360 17.642 -5.654 -7.027 1.00 0.00 H new ATOM 0 HG13 VAL A 360 16.451 -4.915 -8.123 1.00 0.00 H new ATOM 0 HG21 VAL A 360 15.632 -2.665 -6.180 1.00 0.00 H new ATOM 0 HG22 VAL A 360 14.466 -3.645 -7.100 1.00 0.00 H new ATOM 0 HG23 VAL A 360 14.343 -3.547 -5.327 1.00 0.00 H new ATOM 106 N LEU A 361 14.633 -6.743 -3.740 1.00 0.00 N ATOM 107 CA LEU A 361 13.845 -6.821 -2.514 1.00 0.00 C ATOM 108 C LEU A 361 14.651 -7.437 -1.371 1.00 0.00 C ATOM 109 O LEU A 361 14.152 -8.283 -0.628 1.00 0.00 O ATOM 110 CB LEU A 361 12.558 -7.619 -2.758 1.00 0.00 C ATOM 111 CG LEU A 361 12.696 -8.846 -3.668 1.00 0.00 C ATOM 112 CD1 LEU A 361 13.656 -9.866 -3.075 1.00 0.00 C ATOM 113 CD2 LEU A 361 11.334 -9.477 -3.914 1.00 0.00 C ATOM 0 H LEU A 361 15.529 -7.229 -3.696 1.00 0.00 H new ATOM 0 HA LEU A 361 13.579 -5.806 -2.221 1.00 0.00 H new ATOM 0 HB2 LEU A 361 12.168 -7.947 -1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 361 11.815 -6.950 -3.192 1.00 0.00 H new ATOM 0 HG LEU A 361 13.107 -8.515 -4.622 1.00 0.00 H new ATOM 0 HD11 LEU A 361 13.733 -10.724 -3.743 1.00 0.00 H new ATOM 0 HD12 LEU A 361 14.639 -9.412 -2.953 1.00 0.00 H new ATOM 0 HD13 LEU A 361 13.284 -10.194 -2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 361 11.447 -10.347 -4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 361 10.899 -9.786 -2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 361 10.678 -8.751 -4.394 1.00 0.00 H new ATOM 125 N THR A 362 15.897 -6.994 -1.229 1.00 0.00 N ATOM 126 CA THR A 362 16.774 -7.492 -0.174 1.00 0.00 C ATOM 127 C THR A 362 18.022 -6.625 -0.049 1.00 0.00 C ATOM 128 O THR A 362 18.646 -6.270 -1.049 1.00 0.00 O ATOM 129 CB THR A 362 17.198 -8.950 -0.434 1.00 0.00 C ATOM 130 OG1 THR A 362 18.106 -9.385 0.585 1.00 0.00 O ATOM 131 CG2 THR A 362 17.853 -9.091 -1.800 1.00 0.00 C ATOM 0 H THR A 362 16.322 -6.290 -1.832 1.00 0.00 H new ATOM 0 HA THR A 362 16.208 -7.450 0.756 1.00 0.00 H new ATOM 0 HB THR A 362 16.304 -9.573 -0.414 1.00 0.00 H new ATOM 0 HG1 THR A 362 18.370 -10.313 0.414 1.00 0.00 H new ATOM 0 HG21 THR A 362 18.143 -10.130 -1.959 1.00 0.00 H new ATOM 0 HG22 THR A 362 17.148 -8.788 -2.574 1.00 0.00 H new ATOM 0 HG23 THR A 362 18.738 -8.456 -1.847 1.00 0.00 H new ATOM 139 N GLN A 363 18.378 -6.281 1.185 1.00 0.00 N ATOM 140 CA GLN A 363 19.548 -5.449 1.434 1.00 0.00 C ATOM 141 C GLN A 363 20.839 -6.205 1.128 1.00 0.00 C ATOM 142 O GLN A 363 21.087 -7.280 1.674 1.00 0.00 O ATOM 143 CB GLN A 363 19.560 -4.963 2.885 1.00 0.00 C ATOM 144 CG GLN A 363 20.729 -4.044 3.210 1.00 0.00 C ATOM 145 CD GLN A 363 20.671 -2.714 2.477 1.00 0.00 C ATOM 146 OE1 GLN A 363 19.568 -2.455 1.778 1.00 0.00 O flip ATOM 147 NE2 GLN A 363 21.606 -1.917 2.547 1.00 0.00 N flip ATOM 0 H GLN A 363 17.874 -6.565 2.025 1.00 0.00 H new ATOM 0 HA GLN A 363 19.490 -4.587 0.770 1.00 0.00 H new ATOM 0 HB2 GLN A 363 18.627 -4.438 3.091 1.00 0.00 H new ATOM 0 HB3 GLN A 363 19.593 -5.827 3.549 1.00 0.00 H new ATOM 0 HG2 GLN A 363 20.748 -3.858 4.284 1.00 0.00 H new ATOM 0 HG3 GLN A 363 21.661 -4.550 2.957 1.00 0.00 H new ATOM 0 HE21 GLN A 363 22.435 -2.151 3.093 1.00 0.00 H new ATOM 0 HE22 GLN A 363 21.551 -1.023 2.059 1.00 0.00 H new ATOM 156 N LYS A 364 21.659 -5.624 0.259 1.00 0.00 N ATOM 157 CA LYS A 364 22.933 -6.224 -0.124 1.00 0.00 C ATOM 158 C LYS A 364 23.876 -5.160 -0.685 1.00 0.00 C ATOM 159 O LYS A 364 23.994 -5.001 -1.898 1.00 0.00 O ATOM 160 CB LYS A 364 22.710 -7.346 -1.146 1.00 0.00 C ATOM 161 CG LYS A 364 21.900 -6.921 -2.363 1.00 0.00 C ATOM 162 CD LYS A 364 21.661 -8.085 -3.314 1.00 0.00 C ATOM 163 CE LYS A 364 22.965 -8.640 -3.866 1.00 0.00 C ATOM 164 NZ LYS A 364 23.728 -7.614 -4.627 1.00 0.00 N ATOM 0 H LYS A 364 21.463 -4.733 -0.196 1.00 0.00 H new ATOM 0 HA LYS A 364 23.395 -6.657 0.763 1.00 0.00 H new ATOM 0 HB2 LYS A 364 23.679 -7.719 -1.479 1.00 0.00 H new ATOM 0 HB3 LYS A 364 22.201 -8.175 -0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 364 20.942 -6.513 -2.039 1.00 0.00 H new ATOM 0 HG3 LYS A 364 22.424 -6.123 -2.889 1.00 0.00 H new ATOM 0 HD2 LYS A 364 21.121 -8.876 -2.793 1.00 0.00 H new ATOM 0 HD3 LYS A 364 21.028 -7.757 -4.138 1.00 0.00 H new ATOM 0 HE2 LYS A 364 23.577 -9.012 -3.045 1.00 0.00 H new ATOM 0 HE3 LYS A 364 22.752 -9.489 -4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 24.488 -8.076 -5.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 23.088 -7.121 -5.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 24.142 -6.927 -3.965 1.00 0.00 H new ATOM 178 N HIS A 365 24.531 -4.429 0.220 1.00 0.00 N ATOM 179 CA HIS A 365 25.458 -3.356 -0.151 1.00 0.00 C ATOM 180 C HIS A 365 24.691 -2.165 -0.722 1.00 0.00 C ATOM 181 O HIS A 365 24.640 -1.097 -0.110 1.00 0.00 O ATOM 182 CB HIS A 365 26.496 -3.853 -1.166 1.00 0.00 C ATOM 183 CG HIS A 365 27.558 -2.845 -1.497 1.00 0.00 C ATOM 184 ND1 HIS A 365 28.550 -3.078 -2.428 1.00 0.00 N ATOM 185 CD2 HIS A 365 27.786 -1.597 -1.015 1.00 0.00 C ATOM 186 CE1 HIS A 365 29.340 -2.021 -2.503 1.00 0.00 C ATOM 187 NE2 HIS A 365 28.898 -1.110 -1.657 1.00 0.00 N ATOM 0 H HIS A 365 24.435 -4.563 1.227 1.00 0.00 H new ATOM 0 HA HIS A 365 25.985 -3.038 0.749 1.00 0.00 H new ATOM 0 HB2 HIS A 365 26.972 -4.751 -0.773 1.00 0.00 H new ATOM 0 HB3 HIS A 365 25.983 -4.140 -2.084 1.00 0.00 H new ATOM 0 HD2 HIS A 365 27.202 -1.083 -0.266 1.00 0.00 H new ATOM 0 HE1 HIS A 365 30.201 -1.920 -3.147 1.00 0.00 H new ATOM 0 HE2 HIS A 365 29.315 -0.192 -1.504 1.00 0.00 H new ATOM 196 N LYS A 366 24.085 -2.359 -1.888 1.00 0.00 N ATOM 197 CA LYS A 366 23.307 -1.308 -2.530 1.00 0.00 C ATOM 198 C LYS A 366 22.029 -1.040 -1.740 1.00 0.00 C ATOM 199 O LYS A 366 21.375 -1.975 -1.279 1.00 0.00 O ATOM 200 CB LYS A 366 22.959 -1.707 -3.966 1.00 0.00 C ATOM 201 CG LYS A 366 22.106 -0.679 -4.695 1.00 0.00 C ATOM 202 CD LYS A 366 21.749 -1.123 -6.110 1.00 0.00 C ATOM 203 CE LYS A 366 20.802 -2.317 -6.118 1.00 0.00 C ATOM 204 NZ LYS A 366 21.441 -3.552 -5.582 1.00 0.00 N ATOM 0 H LYS A 366 24.118 -3.236 -2.408 1.00 0.00 H new ATOM 0 HA LYS A 366 23.906 -0.398 -2.553 1.00 0.00 H new ATOM 0 HB2 LYS A 366 23.882 -1.863 -4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 366 22.431 -2.660 -3.951 1.00 0.00 H new ATOM 0 HG2 LYS A 366 21.191 -0.503 -4.130 1.00 0.00 H new ATOM 0 HG3 LYS A 366 22.641 0.269 -4.738 1.00 0.00 H new ATOM 0 HD2 LYS A 366 21.288 -0.292 -6.644 1.00 0.00 H new ATOM 0 HD3 LYS A 366 22.661 -1.381 -6.649 1.00 0.00 H new ATOM 0 HE2 LYS A 366 19.919 -2.081 -5.524 1.00 0.00 H new ATOM 0 HE3 LYS A 366 20.461 -2.500 -7.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 21.057 -4.383 -6.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 22.469 -3.504 -5.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 21.243 -3.631 -4.564 1.00 0.00 H new ATOM 218 N PRO A 367 21.653 0.241 -1.566 1.00 0.00 N ATOM 219 CA PRO A 367 20.445 0.612 -0.827 1.00 0.00 C ATOM 220 C PRO A 367 19.166 0.355 -1.621 1.00 0.00 C ATOM 221 O PRO A 367 18.255 1.183 -1.631 1.00 0.00 O ATOM 222 CB PRO A 367 20.630 2.101 -0.579 1.00 0.00 C ATOM 223 CG PRO A 367 21.470 2.574 -1.709 1.00 0.00 C ATOM 224 CD PRO A 367 22.372 1.428 -2.074 1.00 0.00 C ATOM 0 HA PRO A 367 20.330 0.023 0.083 1.00 0.00 H new ATOM 0 HB2 PRO A 367 19.672 2.620 -0.555 1.00 0.00 H new ATOM 0 HB3 PRO A 367 21.116 2.285 0.379 1.00 0.00 H new ATOM 0 HG2 PRO A 367 20.851 2.867 -2.557 1.00 0.00 H new ATOM 0 HG3 PRO A 367 22.051 3.450 -1.421 1.00 0.00 H new ATOM 0 HD2 PRO A 367 22.530 1.370 -3.151 1.00 0.00 H new ATOM 0 HD3 PRO A 367 23.354 1.529 -1.613 1.00 0.00 H new ATOM 232 N ALA A 368 19.102 -0.798 -2.283 1.00 0.00 N ATOM 233 CA ALA A 368 17.936 -1.163 -3.078 1.00 0.00 C ATOM 234 C ALA A 368 16.680 -1.209 -2.215 1.00 0.00 C ATOM 235 O ALA A 368 16.705 -1.710 -1.091 1.00 0.00 O ATOM 236 CB ALA A 368 18.157 -2.504 -3.761 1.00 0.00 C ATOM 0 H ALA A 368 19.846 -1.495 -2.283 1.00 0.00 H new ATOM 0 HA ALA A 368 17.796 -0.399 -3.843 1.00 0.00 H new ATOM 0 HB1 ALA A 368 17.277 -2.762 -4.350 1.00 0.00 H new ATOM 0 HB2 ALA A 368 19.026 -2.440 -4.416 1.00 0.00 H new ATOM 0 HB3 ALA A 368 18.326 -3.273 -3.007 1.00 0.00 H new ATOM 242 N GLU A 369 15.583 -0.685 -2.752 1.00 0.00 N ATOM 243 CA GLU A 369 14.315 -0.663 -2.033 1.00 0.00 C ATOM 244 C GLU A 369 13.172 -0.233 -2.950 1.00 0.00 C ATOM 245 O GLU A 369 12.322 0.571 -2.566 1.00 0.00 O ATOM 246 CB GLU A 369 14.406 0.279 -0.829 1.00 0.00 C ATOM 247 CG GLU A 369 14.828 1.694 -1.195 1.00 0.00 C ATOM 248 CD GLU A 369 14.951 2.599 0.017 1.00 0.00 C ATOM 249 OE1 GLU A 369 14.699 2.122 1.144 1.00 0.00 O ATOM 250 OE2 GLU A 369 15.301 3.785 -0.162 1.00 0.00 O ATOM 0 H GLU A 369 15.547 -0.270 -3.683 1.00 0.00 H new ATOM 0 HA GLU A 369 14.108 -1.673 -1.681 1.00 0.00 H new ATOM 0 HB2 GLU A 369 13.437 0.315 -0.332 1.00 0.00 H new ATOM 0 HB3 GLU A 369 15.117 -0.129 -0.111 1.00 0.00 H new ATOM 0 HG2 GLU A 369 15.784 1.660 -1.717 1.00 0.00 H new ATOM 0 HG3 GLU A 369 14.101 2.118 -1.888 1.00 0.00 H new ATOM 257 N SER A 370 13.157 -0.780 -4.161 1.00 0.00 N ATOM 258 CA SER A 370 12.115 -0.457 -5.130 1.00 0.00 C ATOM 259 C SER A 370 10.746 -0.887 -4.614 1.00 0.00 C ATOM 260 O SER A 370 10.597 -1.969 -4.049 1.00 0.00 O ATOM 261 CB SER A 370 12.405 -1.135 -6.470 1.00 0.00 C ATOM 262 OG SER A 370 11.404 -0.826 -7.426 1.00 0.00 O ATOM 0 H SER A 370 13.852 -1.447 -4.495 1.00 0.00 H new ATOM 0 HA SER A 370 12.108 0.623 -5.274 1.00 0.00 H new ATOM 0 HB2 SER A 370 13.378 -0.813 -6.841 1.00 0.00 H new ATOM 0 HB3 SER A 370 12.458 -2.215 -6.331 1.00 0.00 H new ATOM 0 HG SER A 370 11.613 -1.270 -8.274 1.00 0.00 H new ATOM 268 N GLN A 371 9.749 -0.030 -4.815 1.00 0.00 N ATOM 269 CA GLN A 371 8.390 -0.320 -4.370 1.00 0.00 C ATOM 270 C GLN A 371 7.401 0.680 -4.959 1.00 0.00 C ATOM 271 O GLN A 371 7.612 1.891 -4.888 1.00 0.00 O ATOM 272 CB GLN A 371 8.312 -0.283 -2.842 1.00 0.00 C ATOM 273 CG GLN A 371 6.927 -0.595 -2.296 1.00 0.00 C ATOM 274 CD GLN A 371 6.866 -0.538 -0.782 1.00 0.00 C ATOM 275 OE1 GLN A 371 7.152 0.494 -0.176 1.00 0.00 O ATOM 276 NE2 GLN A 371 6.489 -1.651 -0.163 1.00 0.00 N ATOM 0 H GLN A 371 9.857 0.870 -5.283 1.00 0.00 H new ATOM 0 HA GLN A 371 8.127 -1.318 -4.719 1.00 0.00 H new ATOM 0 HB2 GLN A 371 9.025 -0.999 -2.433 1.00 0.00 H new ATOM 0 HB3 GLN A 371 8.617 0.704 -2.495 1.00 0.00 H new ATOM 0 HG2 GLN A 371 6.210 0.113 -2.711 1.00 0.00 H new ATOM 0 HG3 GLN A 371 6.625 -1.587 -2.630 1.00 0.00 H new ATOM 0 HE21 GLN A 371 6.261 -2.484 -0.706 1.00 0.00 H new ATOM 0 HE22 GLN A 371 6.427 -1.673 0.855 1.00 0.00 H new ATOM 285 N GLN A 372 6.323 0.165 -5.538 1.00 0.00 N ATOM 286 CA GLN A 372 5.298 1.010 -6.138 1.00 0.00 C ATOM 287 C GLN A 372 4.536 1.787 -5.069 1.00 0.00 C ATOM 288 O GLN A 372 4.132 1.227 -4.050 1.00 0.00 O ATOM 289 CB GLN A 372 4.328 0.163 -6.965 1.00 0.00 C ATOM 290 CG GLN A 372 3.633 -0.926 -6.163 1.00 0.00 C ATOM 291 CD GLN A 372 2.676 -1.747 -7.005 1.00 0.00 C ATOM 292 OE1 GLN A 372 3.077 -2.388 -7.975 1.00 0.00 O ATOM 293 NE2 GLN A 372 1.399 -1.729 -6.636 1.00 0.00 N ATOM 0 H GLN A 372 6.136 -0.835 -5.605 1.00 0.00 H new ATOM 0 HA GLN A 372 5.792 1.726 -6.795 1.00 0.00 H new ATOM 0 HB2 GLN A 372 3.574 0.815 -7.405 1.00 0.00 H new ATOM 0 HB3 GLN A 372 4.873 -0.297 -7.790 1.00 0.00 H new ATOM 0 HG2 GLN A 372 4.383 -1.585 -5.725 1.00 0.00 H new ATOM 0 HG3 GLN A 372 3.086 -0.471 -5.337 1.00 0.00 H new ATOM 0 HE21 GLN A 372 1.110 -1.183 -5.824 1.00 0.00 H new ATOM 0 HE22 GLN A 372 0.708 -2.261 -7.165 1.00 0.00 H new ATOM 302 N GLN A 373 4.342 3.081 -5.308 1.00 0.00 N ATOM 303 CA GLN A 373 3.628 3.937 -4.368 1.00 0.00 C ATOM 304 C GLN A 373 2.202 3.436 -4.162 1.00 0.00 C ATOM 305 O GLN A 373 1.599 2.863 -5.069 1.00 0.00 O ATOM 306 CB GLN A 373 3.599 5.382 -4.869 1.00 0.00 C ATOM 307 CG GLN A 373 2.741 5.578 -6.107 1.00 0.00 C ATOM 308 CD GLN A 373 2.723 7.016 -6.587 1.00 0.00 C ATOM 309 OE1 GLN A 373 2.314 7.921 -5.859 1.00 0.00 O ATOM 310 NE2 GLN A 373 3.168 7.236 -7.819 1.00 0.00 N ATOM 0 H GLN A 373 4.670 3.560 -6.147 1.00 0.00 H new ATOM 0 HA GLN A 373 4.156 3.904 -3.415 1.00 0.00 H new ATOM 0 HB2 GLN A 373 3.226 6.027 -4.073 1.00 0.00 H new ATOM 0 HB3 GLN A 373 4.617 5.702 -5.088 1.00 0.00 H new ATOM 0 HG2 GLN A 373 3.113 4.937 -6.907 1.00 0.00 H new ATOM 0 HG3 GLN A 373 1.721 5.259 -5.891 1.00 0.00 H new ATOM 0 HE21 GLN A 373 3.498 6.457 -8.389 1.00 0.00 H new ATOM 0 HE22 GLN A 373 3.180 8.184 -8.195 1.00 0.00 H new ATOM 319 N ALA A 374 1.670 3.656 -2.966 1.00 0.00 N ATOM 320 CA ALA A 374 0.315 3.229 -2.644 1.00 0.00 C ATOM 321 C ALA A 374 -0.695 3.905 -3.563 1.00 0.00 C ATOM 322 O ALA A 374 -0.611 5.107 -3.814 1.00 0.00 O ATOM 323 CB ALA A 374 -0.004 3.530 -1.187 1.00 0.00 C ATOM 0 H ALA A 374 2.156 4.128 -2.203 1.00 0.00 H new ATOM 0 HA ALA A 374 0.249 2.152 -2.798 1.00 0.00 H new ATOM 0 HB1 ALA A 374 -1.020 3.205 -0.962 1.00 0.00 H new ATOM 0 HB2 ALA A 374 0.698 2.999 -0.544 1.00 0.00 H new ATOM 0 HB3 ALA A 374 0.082 4.602 -1.010 1.00 0.00 H new ATOM 329 N ALA A 375 -1.647 3.124 -4.063 1.00 0.00 N ATOM 330 CA ALA A 375 -2.672 3.646 -4.957 1.00 0.00 C ATOM 331 C ALA A 375 -3.777 4.341 -4.176 1.00 0.00 C ATOM 332 O ALA A 375 -4.944 3.953 -4.241 1.00 0.00 O ATOM 333 CB ALA A 375 -3.241 2.532 -5.822 1.00 0.00 C ATOM 0 H ALA A 375 -1.729 2.127 -3.864 1.00 0.00 H new ATOM 0 HA ALA A 375 -2.208 4.386 -5.609 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -4.005 2.939 -6.484 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -2.443 2.090 -6.418 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -3.684 1.766 -5.185 1.00 0.00 H new ATOM 339 N GLU A 376 -3.391 5.363 -3.429 1.00 0.00 N ATOM 340 CA GLU A 376 -4.330 6.125 -2.614 1.00 0.00 C ATOM 341 C GLU A 376 -5.132 7.124 -3.430 1.00 0.00 C ATOM 342 O GLU A 376 -5.158 8.320 -3.137 1.00 0.00 O ATOM 343 CB GLU A 376 -3.610 6.838 -1.478 1.00 0.00 C ATOM 344 CG GLU A 376 -2.268 7.448 -1.864 1.00 0.00 C ATOM 345 CD GLU A 376 -2.390 8.556 -2.892 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.993 9.601 -2.570 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.881 8.379 -4.019 1.00 0.00 O ATOM 0 H GLU A 376 -2.426 5.688 -3.369 1.00 0.00 H new ATOM 0 HA GLU A 376 -5.033 5.404 -2.196 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -4.256 7.627 -1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -3.452 6.130 -0.664 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -1.785 7.842 -0.970 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -1.620 6.665 -2.258 1.00 0.00 H new ATOM 354 N THR A 377 -5.808 6.611 -4.429 1.00 0.00 N ATOM 355 CA THR A 377 -6.651 7.426 -5.285 1.00 0.00 C ATOM 356 C THR A 377 -8.016 6.784 -5.443 1.00 0.00 C ATOM 357 O THR A 377 -8.131 5.561 -5.520 1.00 0.00 O ATOM 358 CB THR A 377 -6.034 7.642 -6.676 1.00 0.00 C ATOM 359 OG1 THR A 377 -5.835 6.381 -7.328 1.00 0.00 O ATOM 360 CG2 THR A 377 -4.709 8.381 -6.572 1.00 0.00 C ATOM 0 H THR A 377 -5.793 5.621 -4.675 1.00 0.00 H new ATOM 0 HA THR A 377 -6.746 8.398 -4.802 1.00 0.00 H new ATOM 0 HB THR A 377 -6.724 8.248 -7.264 1.00 0.00 H new ATOM 0 HG1 THR A 377 -5.580 6.532 -8.262 1.00 0.00 H new ATOM 0 HG21 THR A 377 -4.292 8.522 -7.569 1.00 0.00 H new ATOM 0 HG22 THR A 377 -4.870 9.353 -6.105 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.014 7.799 -5.967 1.00 0.00 H new ATOM 368 N GLU A 378 -9.045 7.615 -5.479 1.00 0.00 N ATOM 369 CA GLU A 378 -10.410 7.127 -5.617 1.00 0.00 C ATOM 370 C GLU A 378 -10.526 6.205 -6.818 1.00 0.00 C ATOM 371 O GLU A 378 -11.239 5.203 -6.786 1.00 0.00 O ATOM 372 CB GLU A 378 -11.383 8.295 -5.769 1.00 0.00 C ATOM 373 CG GLU A 378 -12.838 7.864 -5.850 1.00 0.00 C ATOM 374 CD GLU A 378 -13.789 9.031 -6.036 1.00 0.00 C ATOM 375 OE1 GLU A 378 -13.312 10.185 -6.087 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.011 8.791 -6.130 1.00 0.00 O ATOM 0 H GLU A 378 -8.963 8.630 -5.415 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.664 6.569 -4.716 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.259 8.973 -4.924 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.128 8.856 -6.668 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -12.960 7.167 -6.679 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.104 7.326 -4.940 1.00 0.00 H new ATOM 383 N GLY A 379 -9.825 6.566 -7.881 1.00 0.00 N ATOM 384 CA GLY A 379 -9.858 5.782 -9.096 1.00 0.00 C ATOM 385 C GLY A 379 -9.276 4.394 -8.943 1.00 0.00 C ATOM 386 O GLY A 379 -9.753 3.450 -9.575 1.00 0.00 O ATOM 0 H GLY A 379 -9.230 7.394 -7.923 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -10.891 5.698 -9.435 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.309 6.312 -9.874 1.00 0.00 H new ATOM 390 N SER A 380 -8.242 4.255 -8.122 1.00 0.00 N ATOM 391 CA SER A 380 -7.611 2.957 -7.928 1.00 0.00 C ATOM 392 C SER A 380 -8.425 2.067 -6.995 1.00 0.00 C ATOM 393 O SER A 380 -8.639 0.891 -7.275 1.00 0.00 O ATOM 394 CB SER A 380 -6.203 3.134 -7.377 1.00 0.00 C ATOM 395 OG SER A 380 -5.389 3.869 -8.276 1.00 0.00 O ATOM 0 H SER A 380 -7.827 5.017 -7.585 1.00 0.00 H new ATOM 0 HA SER A 380 -7.562 2.467 -8.900 1.00 0.00 H new ATOM 0 HB2 SER A 380 -6.247 3.650 -6.418 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.756 2.157 -7.193 1.00 0.00 H new ATOM 0 HG SER A 380 -5.329 4.800 -7.976 1.00 0.00 H new ATOM 401 N CYS A 381 -8.859 2.633 -5.880 1.00 0.00 N ATOM 402 CA CYS A 381 -9.625 1.891 -4.880 1.00 0.00 C ATOM 403 C CYS A 381 -10.882 1.243 -5.455 1.00 0.00 C ATOM 404 O CYS A 381 -11.146 0.066 -5.208 1.00 0.00 O ATOM 405 CB CYS A 381 -10.000 2.820 -3.732 1.00 0.00 C ATOM 406 SG CYS A 381 -8.564 3.526 -2.866 1.00 0.00 S ATOM 0 H CYS A 381 -8.694 3.611 -5.640 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.988 1.082 -4.521 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.615 3.632 -4.119 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.611 2.271 -3.016 1.00 0.00 H new ATOM 411 N ASN A 382 -11.662 2.013 -6.201 1.00 0.00 N ATOM 412 CA ASN A 382 -12.901 1.508 -6.789 1.00 0.00 C ATOM 413 C ASN A 382 -12.651 0.256 -7.624 1.00 0.00 C ATOM 414 O ASN A 382 -13.569 -0.523 -7.880 1.00 0.00 O ATOM 415 CB ASN A 382 -13.554 2.581 -7.667 1.00 0.00 C ATOM 416 CG ASN A 382 -13.791 3.889 -6.935 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.422 3.942 -5.661 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.302 4.849 -7.513 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.461 2.990 -6.415 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.570 1.251 -5.968 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.920 2.767 -8.534 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.506 2.205 -8.042 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.572 4.769 -8.493 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.455 5.724 -7.011 1.00 0.00 H new ATOM 425 N LYS A 383 -11.414 0.085 -8.069 1.00 0.00 N ATOM 426 CA LYS A 383 -11.050 -1.052 -8.902 1.00 0.00 C ATOM 427 C LYS A 383 -10.502 -2.215 -8.077 1.00 0.00 C ATOM 428 O LYS A 383 -10.662 -3.378 -8.448 1.00 0.00 O ATOM 429 CB LYS A 383 -10.017 -0.605 -9.936 1.00 0.00 C ATOM 430 CG LYS A 383 -10.400 0.688 -10.641 1.00 0.00 C ATOM 431 CD LYS A 383 -11.694 0.535 -11.425 1.00 0.00 C ATOM 432 CE LYS A 383 -12.075 1.827 -12.130 1.00 0.00 C ATOM 433 NZ LYS A 383 -11.031 2.262 -13.097 1.00 0.00 N ATOM 0 H LYS A 383 -10.643 0.722 -7.866 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.950 -1.410 -9.402 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.053 -0.472 -9.444 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.890 -1.393 -10.678 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.511 1.485 -9.906 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.598 0.987 -11.316 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.583 -0.263 -12.160 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.496 0.237 -10.750 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -13.020 1.689 -12.655 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -12.233 2.611 -11.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -11.415 3.010 -13.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -10.208 2.628 -12.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -10.740 1.452 -13.681 1.00 0.00 H new ATOM 447 N LYS A 384 -9.843 -1.895 -6.969 1.00 0.00 N ATOM 448 CA LYS A 384 -9.256 -2.906 -6.105 1.00 0.00 C ATOM 449 C LYS A 384 -10.318 -3.727 -5.382 1.00 0.00 C ATOM 450 O LYS A 384 -11.232 -3.179 -4.767 1.00 0.00 O ATOM 451 CB LYS A 384 -8.332 -2.226 -5.098 1.00 0.00 C ATOM 452 CG LYS A 384 -6.935 -1.909 -5.631 1.00 0.00 C ATOM 453 CD LYS A 384 -6.942 -1.357 -7.051 1.00 0.00 C ATOM 454 CE LYS A 384 -6.792 -2.458 -8.094 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.805 -1.913 -9.480 1.00 0.00 N ATOM 0 H LYS A 384 -9.703 -0.937 -6.649 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.687 -3.599 -6.725 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.799 -1.299 -4.765 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.236 -2.867 -4.222 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.457 -1.186 -4.970 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.329 -2.815 -5.604 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.873 -0.817 -7.225 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.131 -0.638 -7.164 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.859 -2.995 -7.924 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.601 -3.180 -7.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.598 -2.328 -10.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -6.915 -0.879 -9.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.911 -2.150 -9.955 1.00 0.00 H new ATOM 469 N ASP A 385 -10.177 -5.049 -5.454 1.00 0.00 N ATOM 470 CA ASP A 385 -11.109 -5.958 -4.798 1.00 0.00 C ATOM 471 C ASP A 385 -10.857 -5.977 -3.295 1.00 0.00 C ATOM 472 O ASP A 385 -10.073 -5.182 -2.788 1.00 0.00 O ATOM 473 CB ASP A 385 -10.971 -7.370 -5.372 1.00 0.00 C ATOM 474 CG ASP A 385 -11.255 -7.425 -6.861 1.00 0.00 C ATOM 475 OD1 ASP A 385 -11.559 -6.366 -7.449 1.00 0.00 O ATOM 476 OD2 ASP A 385 -11.173 -8.529 -7.440 1.00 0.00 O ATOM 0 H ASP A 385 -9.424 -5.513 -5.962 1.00 0.00 H new ATOM 0 HA ASP A 385 -12.124 -5.605 -4.981 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.962 -7.737 -5.185 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.656 -8.039 -4.850 1.00 0.00 H new ATOM 481 N GLN A 386 -11.518 -6.889 -2.589 1.00 0.00 N ATOM 482 CA GLN A 386 -11.357 -6.998 -1.141 1.00 0.00 C ATOM 483 C GLN A 386 -9.882 -7.031 -0.748 1.00 0.00 C ATOM 484 O GLN A 386 -9.412 -6.186 0.015 1.00 0.00 O ATOM 485 CB GLN A 386 -12.056 -8.257 -0.625 1.00 0.00 C ATOM 486 CG GLN A 386 -11.903 -8.469 0.875 1.00 0.00 C ATOM 487 CD GLN A 386 -12.613 -9.716 1.364 1.00 0.00 C ATOM 488 OE1 GLN A 386 -12.317 -10.828 0.925 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.558 -9.537 2.280 1.00 0.00 N ATOM 0 H GLN A 386 -12.169 -7.562 -2.994 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.813 -6.118 -0.688 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -13.117 -8.199 -0.869 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.656 -9.125 -1.149 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.844 -8.538 1.122 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.297 -7.601 1.403 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.771 -8.598 2.616 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -14.071 -10.339 2.647 1.00 0.00 H new ATOM 498 N ASN A 387 -9.162 -8.011 -1.275 1.00 0.00 N ATOM 499 CA ASN A 387 -7.749 -8.169 -0.988 1.00 0.00 C ATOM 500 C ASN A 387 -6.931 -7.006 -1.541 1.00 0.00 C ATOM 501 O ASN A 387 -5.885 -6.655 -0.994 1.00 0.00 O ATOM 502 CB ASN A 387 -7.255 -9.485 -1.582 1.00 0.00 C ATOM 503 CG ASN A 387 -7.531 -9.592 -3.068 1.00 0.00 C ATOM 504 OD1 ASN A 387 -8.680 -9.521 -3.506 1.00 0.00 O ATOM 505 ND2 ASN A 387 -6.478 -9.771 -3.854 1.00 0.00 N ATOM 0 H ASN A 387 -9.541 -8.714 -1.910 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.619 -8.179 0.094 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -6.183 -9.579 -1.407 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.736 -10.316 -1.066 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -6.603 -9.855 -4.863 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.543 -9.824 -3.450 1.00 0.00 H new ATOM 512 N GLU A 388 -7.406 -6.422 -2.634 1.00 0.00 N ATOM 513 CA GLU A 388 -6.713 -5.309 -3.271 1.00 0.00 C ATOM 514 C GLU A 388 -7.034 -3.985 -2.589 1.00 0.00 C ATOM 515 O GLU A 388 -6.329 -2.994 -2.785 1.00 0.00 O ATOM 516 CB GLU A 388 -7.070 -5.247 -4.756 1.00 0.00 C ATOM 517 CG GLU A 388 -6.661 -6.489 -5.531 1.00 0.00 C ATOM 518 CD GLU A 388 -6.994 -6.395 -7.007 1.00 0.00 C ATOM 519 OE1 GLU A 388 -8.187 -6.236 -7.339 1.00 0.00 O ATOM 520 OE2 GLU A 388 -6.060 -6.483 -7.833 1.00 0.00 O ATOM 0 H GLU A 388 -8.270 -6.701 -3.099 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.641 -5.479 -3.170 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -8.146 -5.103 -4.857 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.589 -4.376 -5.201 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.589 -6.648 -5.414 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -7.161 -7.359 -5.105 1.00 0.00 H new ATOM 527 N CYS A 389 -8.096 -3.965 -1.787 1.00 0.00 N ATOM 528 CA CYS A 389 -8.490 -2.749 -1.086 1.00 0.00 C ATOM 529 C CYS A 389 -7.342 -2.292 -0.194 1.00 0.00 C ATOM 530 O CYS A 389 -7.119 -2.837 0.887 1.00 0.00 O ATOM 531 CB CYS A 389 -9.759 -2.991 -0.264 1.00 0.00 C ATOM 532 SG CYS A 389 -10.639 -1.469 0.228 1.00 0.00 S ATOM 0 H CYS A 389 -8.694 -4.771 -1.608 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.710 -1.966 -1.811 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.438 -3.618 -0.842 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.495 -3.550 0.634 1.00 0.00 H new ATOM 537 N LYS A 390 -6.595 -1.310 -0.684 1.00 0.00 N ATOM 538 CA LYS A 390 -5.435 -0.784 0.024 1.00 0.00 C ATOM 539 C LYS A 390 -5.826 0.017 1.262 1.00 0.00 C ATOM 540 O LYS A 390 -6.976 0.430 1.413 1.00 0.00 O ATOM 541 CB LYS A 390 -4.607 0.067 -0.931 1.00 0.00 C ATOM 542 CG LYS A 390 -4.128 -0.706 -2.151 1.00 0.00 C ATOM 543 CD LYS A 390 -3.344 0.179 -3.105 1.00 0.00 C ATOM 544 CE LYS A 390 -2.925 -0.586 -4.351 1.00 0.00 C ATOM 545 NZ LYS A 390 -2.056 -1.750 -4.024 1.00 0.00 N ATOM 0 H LYS A 390 -6.776 -0.857 -1.580 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.841 -1.628 0.375 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.202 0.920 -1.258 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.744 0.466 -0.398 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.503 -1.540 -1.831 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.986 -1.132 -2.672 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -3.952 1.038 -3.390 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.460 0.568 -2.600 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -3.813 -0.933 -4.879 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -2.394 0.084 -5.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -1.643 -2.131 -4.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -1.294 -1.446 -3.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -2.624 -2.487 -3.560 1.00 0.00 H new ATOM 559 N SER A 391 -4.852 0.216 2.152 1.00 0.00 N ATOM 560 CA SER A 391 -5.071 0.953 3.397 1.00 0.00 C ATOM 561 C SER A 391 -5.773 2.290 3.150 1.00 0.00 C ATOM 562 O SER A 391 -6.788 2.579 3.784 1.00 0.00 O ATOM 563 CB SER A 391 -3.742 1.180 4.122 1.00 0.00 C ATOM 564 OG SER A 391 -3.930 1.921 5.315 1.00 0.00 O ATOM 0 H SER A 391 -3.898 -0.126 2.032 1.00 0.00 H new ATOM 0 HA SER A 391 -5.724 0.348 4.026 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.283 0.219 4.356 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.053 1.711 3.466 1.00 0.00 H new ATOM 0 HG SER A 391 -3.066 2.051 5.759 1.00 0.00 H new ATOM 570 N PRO A 392 -5.265 3.127 2.219 1.00 0.00 N ATOM 571 CA PRO A 392 -5.881 4.419 1.907 1.00 0.00 C ATOM 572 C PRO A 392 -7.353 4.262 1.553 1.00 0.00 C ATOM 573 O PRO A 392 -8.173 5.147 1.808 1.00 0.00 O ATOM 574 CB PRO A 392 -5.089 4.902 0.684 1.00 0.00 C ATOM 575 CG PRO A 392 -4.398 3.693 0.166 1.00 0.00 C ATOM 576 CD PRO A 392 -4.075 2.902 1.382 1.00 0.00 C ATOM 0 HA PRO A 392 -5.849 5.111 2.749 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.750 5.331 -0.069 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.374 5.677 0.959 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -5.037 3.131 -0.515 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.497 3.957 -0.387 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.930 1.846 1.155 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.163 3.252 1.866 1.00 0.00 H new ATOM 584 N CYS A 393 -7.668 3.123 0.953 1.00 0.00 N ATOM 585 CA CYS A 393 -9.027 2.817 0.545 1.00 0.00 C ATOM 586 C CYS A 393 -9.877 2.377 1.731 1.00 0.00 C ATOM 587 O CYS A 393 -9.375 1.784 2.687 1.00 0.00 O ATOM 588 CB CYS A 393 -9.023 1.712 -0.503 1.00 0.00 C ATOM 589 SG CYS A 393 -7.814 1.953 -1.842 1.00 0.00 S ATOM 0 H CYS A 393 -6.992 2.391 0.737 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.458 3.726 0.125 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.818 0.761 -0.011 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -10.019 1.637 -0.938 1.00 0.00 H new ATOM 594 N LYS A 394 -11.170 2.653 1.646 1.00 0.00 N ATOM 595 CA LYS A 394 -12.111 2.271 2.690 1.00 0.00 C ATOM 596 C LYS A 394 -12.863 1.016 2.273 1.00 0.00 C ATOM 597 O LYS A 394 -13.507 0.985 1.224 1.00 0.00 O ATOM 598 CB LYS A 394 -13.096 3.407 2.970 1.00 0.00 C ATOM 599 CG LYS A 394 -14.147 3.057 4.013 1.00 0.00 C ATOM 600 CD LYS A 394 -15.089 4.222 4.278 1.00 0.00 C ATOM 601 CE LYS A 394 -14.359 5.406 4.892 1.00 0.00 C ATOM 602 NZ LYS A 394 -15.280 6.541 5.178 1.00 0.00 N ATOM 0 H LYS A 394 -11.594 3.144 0.859 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.554 2.067 3.604 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.541 4.284 3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.595 3.681 2.041 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.721 2.195 3.675 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -13.655 2.768 4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -15.560 4.529 3.344 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -15.887 3.900 4.947 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -13.872 5.093 5.815 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.573 5.739 4.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -14.788 7.440 5.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -16.114 6.476 4.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -15.582 6.501 6.172 1.00 0.00 H new ATOM 616 N TRP A 395 -12.769 -0.021 3.093 1.00 0.00 N ATOM 617 CA TRP A 395 -13.433 -1.280 2.796 1.00 0.00 C ATOM 618 C TRP A 395 -14.919 -1.224 3.138 1.00 0.00 C ATOM 619 O TRP A 395 -15.311 -0.692 4.176 1.00 0.00 O ATOM 620 CB TRP A 395 -12.764 -2.427 3.552 1.00 0.00 C ATOM 621 CG TRP A 395 -13.386 -3.761 3.273 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.783 -4.685 4.195 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.685 -4.320 1.986 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.313 -5.783 3.565 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.264 -5.585 2.210 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.522 -3.878 0.665 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.681 -6.407 1.168 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.937 -4.699 -0.366 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.510 -5.949 -0.110 1.00 0.00 C ATOM 0 H TRP A 395 -12.241 -0.015 3.966 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.341 -1.456 1.724 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.708 -2.463 3.284 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.815 -2.227 4.622 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.693 -4.569 5.265 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.683 -6.612 4.030 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -13.081 -2.914 0.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.124 -7.373 1.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.817 -4.370 -1.388 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.824 -6.566 -0.939 1.00 0.00 H new ATOM 640 N HIS A 396 -15.739 -1.790 2.257 1.00 0.00 N ATOM 641 CA HIS A 396 -17.185 -1.824 2.460 1.00 0.00 C ATOM 642 C HIS A 396 -17.693 -3.262 2.434 1.00 0.00 C ATOM 643 O HIS A 396 -17.773 -3.887 1.374 1.00 0.00 O ATOM 644 CB HIS A 396 -17.899 -0.999 1.386 1.00 0.00 C ATOM 645 CG HIS A 396 -17.606 0.468 1.464 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.918 1.240 2.564 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.027 1.306 0.572 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.545 2.489 2.344 1.00 0.00 C ATOM 649 NE2 HIS A 396 -17.001 2.555 1.142 1.00 0.00 N ATOM 0 H HIS A 396 -15.426 -2.233 1.393 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.402 -1.391 3.436 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.607 -1.368 0.403 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.974 -1.152 1.477 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.655 1.041 -0.407 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.665 3.315 3.030 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.623 3.397 0.708 1.00 0.00 H new ATOM 658 N ASN A 397 -18.030 -3.774 3.616 1.00 0.00 N ATOM 659 CA ASN A 397 -18.527 -5.139 3.759 1.00 0.00 C ATOM 660 C ASN A 397 -20.041 -5.198 3.571 1.00 0.00 C ATOM 661 O ASN A 397 -20.733 -4.188 3.692 1.00 0.00 O ATOM 662 CB ASN A 397 -18.148 -5.699 5.131 1.00 0.00 C ATOM 663 CG ASN A 397 -18.597 -7.136 5.317 1.00 0.00 C ATOM 664 OD1 ASN A 397 -18.198 -8.023 4.563 1.00 0.00 O ATOM 665 ND2 ASN A 397 -19.427 -7.372 6.325 1.00 0.00 N ATOM 0 H ASN A 397 -17.967 -3.259 4.494 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.064 -5.748 2.983 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -17.067 -5.640 5.258 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -18.594 -5.079 5.909 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -19.760 -8.320 6.500 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -19.732 -6.605 6.925 1.00 0.00 H new ATOM 672 N ASP A 398 -20.540 -6.395 3.272 1.00 0.00 N ATOM 673 CA ASP A 398 -21.969 -6.617 3.063 1.00 0.00 C ATOM 674 C ASP A 398 -22.468 -5.825 1.857 1.00 0.00 C ATOM 675 O ASP A 398 -23.613 -5.375 1.820 1.00 0.00 O ATOM 676 CB ASP A 398 -22.761 -6.232 4.317 1.00 0.00 C ATOM 677 CG ASP A 398 -24.216 -6.663 4.250 1.00 0.00 C ATOM 678 OD1 ASP A 398 -24.596 -7.325 3.261 1.00 0.00 O ATOM 679 OD2 ASP A 398 -24.972 -6.343 5.191 1.00 0.00 O ATOM 0 H ASP A 398 -19.969 -7.234 3.168 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.123 -7.678 2.866 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.292 -6.685 5.190 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.713 -5.152 4.454 1.00 0.00 H new ATOM 684 N ALA A 399 -21.600 -5.672 0.864 1.00 0.00 N ATOM 685 CA ALA A 399 -21.946 -4.953 -0.354 1.00 0.00 C ATOM 686 C ALA A 399 -22.488 -5.920 -1.401 1.00 0.00 C ATOM 687 O ALA A 399 -22.114 -7.093 -1.419 1.00 0.00 O ATOM 688 CB ALA A 399 -20.736 -4.200 -0.892 1.00 0.00 C ATOM 0 H ALA A 399 -20.648 -6.038 0.880 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.723 -4.225 -0.120 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.013 -3.669 -1.802 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.391 -3.485 -0.145 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.937 -4.907 -1.114 1.00 0.00 H new ATOM 694 N GLU A 400 -23.373 -5.426 -2.265 1.00 0.00 N ATOM 695 CA GLU A 400 -23.967 -6.253 -3.313 1.00 0.00 C ATOM 696 C GLU A 400 -22.905 -7.103 -4.006 1.00 0.00 C ATOM 697 O GLU A 400 -23.168 -8.237 -4.408 1.00 0.00 O ATOM 698 CB GLU A 400 -24.688 -5.377 -4.341 1.00 0.00 C ATOM 699 CG GLU A 400 -25.873 -4.614 -3.770 1.00 0.00 C ATOM 700 CD GLU A 400 -26.983 -5.528 -3.288 1.00 0.00 C ATOM 701 OE1 GLU A 400 -26.739 -6.320 -2.353 1.00 0.00 O ATOM 702 OE2 GLU A 400 -28.098 -5.454 -3.847 1.00 0.00 O ATOM 0 H GLU A 400 -23.694 -4.458 -2.260 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.691 -6.920 -2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -23.977 -4.665 -4.761 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.033 -6.005 -5.162 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -25.534 -3.993 -2.941 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -26.267 -3.941 -4.532 1.00 0.00 H new ATOM 709 N ASN A 401 -21.704 -6.547 -4.131 1.00 0.00 N ATOM 710 CA ASN A 401 -20.591 -7.246 -4.764 1.00 0.00 C ATOM 711 C ASN A 401 -19.270 -6.749 -4.192 1.00 0.00 C ATOM 712 O ASN A 401 -18.260 -6.684 -4.895 1.00 0.00 O ATOM 713 CB ASN A 401 -20.615 -7.019 -6.275 1.00 0.00 C ATOM 714 CG ASN A 401 -21.927 -7.438 -6.902 1.00 0.00 C ATOM 715 OD1 ASN A 401 -22.215 -8.626 -7.040 1.00 0.00 O ATOM 716 ND2 ASN A 401 -22.742 -6.455 -7.257 1.00 0.00 N ATOM 0 H ASN A 401 -21.476 -5.609 -3.800 1.00 0.00 H new ATOM 0 HA ASN A 401 -20.690 -8.313 -4.564 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.436 -5.964 -6.484 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -19.801 -7.578 -6.736 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -23.652 -6.669 -7.664 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -22.459 -5.484 -7.123 1.00 0.00 H new ATOM 723 N LYS A 402 -19.299 -6.390 -2.911 1.00 0.00 N ATOM 724 CA LYS A 402 -18.118 -5.881 -2.215 1.00 0.00 C ATOM 725 C LYS A 402 -17.697 -4.534 -2.794 1.00 0.00 C ATOM 726 O LYS A 402 -17.619 -4.371 -4.012 1.00 0.00 O ATOM 727 CB LYS A 402 -16.968 -6.890 -2.298 1.00 0.00 C ATOM 728 CG LYS A 402 -17.280 -8.219 -1.629 1.00 0.00 C ATOM 729 CD LYS A 402 -17.527 -8.045 -0.137 1.00 0.00 C ATOM 730 CE LYS A 402 -17.963 -9.346 0.514 1.00 0.00 C ATOM 731 NZ LYS A 402 -19.250 -9.843 -0.045 1.00 0.00 N ATOM 0 H LYS A 402 -20.135 -6.443 -2.329 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.371 -5.738 -1.164 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -16.725 -7.067 -3.346 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.081 -6.458 -1.834 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.158 -8.665 -2.095 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.451 -8.910 -1.784 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.617 -7.684 0.343 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.293 -7.285 0.019 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -17.190 -10.101 0.371 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -18.068 -9.197 1.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -19.658 -10.551 0.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -19.913 -9.048 -0.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -19.080 -10.278 -0.974 1.00 0.00 H new ATOM 745 N LYS A 403 -17.449 -3.560 -1.922 1.00 0.00 N ATOM 746 CA LYS A 403 -17.067 -2.226 -2.374 1.00 0.00 C ATOM 747 C LYS A 403 -15.827 -1.695 -1.655 1.00 0.00 C ATOM 748 O LYS A 403 -15.588 -2.000 -0.489 1.00 0.00 O ATOM 749 CB LYS A 403 -18.234 -1.258 -2.182 1.00 0.00 C ATOM 750 CG LYS A 403 -19.432 -1.571 -3.065 1.00 0.00 C ATOM 751 CD LYS A 403 -19.096 -1.405 -4.540 1.00 0.00 C ATOM 752 CE LYS A 403 -20.284 -1.747 -5.425 1.00 0.00 C ATOM 753 NZ LYS A 403 -20.705 -3.167 -5.268 1.00 0.00 N ATOM 0 H LYS A 403 -17.505 -3.668 -0.909 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.817 -2.304 -3.432 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.546 -1.280 -1.138 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.893 -0.244 -2.391 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.765 -2.592 -2.879 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -20.260 -0.913 -2.803 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -18.784 -0.378 -4.730 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -18.253 -2.047 -4.797 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -21.120 -1.092 -5.180 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -20.026 -1.558 -6.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -21.348 -3.426 -6.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -19.867 -3.782 -5.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -21.194 -3.285 -4.358 1.00 0.00 H new ATOM 767 N CYS A 404 -15.053 -0.887 -2.375 1.00 0.00 N ATOM 768 CA CYS A 404 -13.835 -0.279 -1.844 1.00 0.00 C ATOM 769 C CYS A 404 -13.600 1.069 -2.527 1.00 0.00 C ATOM 770 O CYS A 404 -13.540 1.143 -3.755 1.00 0.00 O ATOM 771 CB CYS A 404 -12.635 -1.210 -2.072 1.00 0.00 C ATOM 772 SG CYS A 404 -11.033 -0.528 -1.537 1.00 0.00 S ATOM 0 H CYS A 404 -15.252 -0.635 -3.343 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.949 -0.121 -0.771 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.812 -2.146 -1.542 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.576 -1.452 -3.133 1.00 0.00 H new ATOM 777 N THR A 405 -13.490 2.137 -1.736 1.00 0.00 N ATOM 778 CA THR A 405 -13.288 3.476 -2.291 1.00 0.00 C ATOM 779 C THR A 405 -12.327 4.309 -1.447 1.00 0.00 C ATOM 780 O THR A 405 -12.376 4.285 -0.219 1.00 0.00 O ATOM 781 CB THR A 405 -14.622 4.236 -2.423 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.243 4.365 -1.139 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.564 3.517 -3.377 1.00 0.00 C ATOM 0 H THR A 405 -13.537 2.102 -0.718 1.00 0.00 H new ATOM 0 HA THR A 405 -12.851 3.331 -3.279 1.00 0.00 H new ATOM 0 HB THR A 405 -14.410 5.227 -2.825 1.00 0.00 H new ATOM 0 HG1 THR A 405 -16.089 4.850 -1.232 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.499 4.073 -3.453 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.102 3.448 -4.362 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.768 2.515 -3.000 1.00 0.00 H new ATOM 791 N LEU A 406 -11.452 5.041 -2.129 1.00 0.00 N ATOM 792 CA LEU A 406 -10.458 5.887 -1.481 1.00 0.00 C ATOM 793 C LEU A 406 -11.105 6.914 -0.563 1.00 0.00 C ATOM 794 O LEU A 406 -12.163 7.465 -0.869 1.00 0.00 O ATOM 795 CB LEU A 406 -9.604 6.585 -2.541 1.00 0.00 C ATOM 796 CG LEU A 406 -8.299 7.217 -2.048 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.550 8.558 -1.384 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.582 6.275 -1.097 1.00 0.00 C ATOM 0 H LEU A 406 -11.413 5.064 -3.148 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.824 5.251 -0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.362 5.860 -3.318 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.207 7.364 -3.009 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.662 7.391 -2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.603 8.979 -1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.014 9.237 -2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.213 8.422 -0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.656 6.738 -0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.222 6.067 -0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.352 5.343 -1.613 1.00 0.00 H new ATOM 810 N ASP A 407 -10.447 7.164 0.560 1.00 0.00 N ATOM 811 CA ASP A 407 -10.933 8.129 1.541 1.00 0.00 C ATOM 812 C ASP A 407 -9.940 9.279 1.700 1.00 0.00 C ATOM 813 O ASP A 407 -8.729 9.066 1.715 1.00 0.00 O ATOM 814 CB ASP A 407 -11.171 7.440 2.888 1.00 0.00 C ATOM 815 CG ASP A 407 -11.786 8.368 3.918 1.00 0.00 C ATOM 816 OD1 ASP A 407 -11.143 9.377 4.272 1.00 0.00 O ATOM 817 OD2 ASP A 407 -12.914 8.082 4.372 1.00 0.00 O ATOM 0 H ASP A 407 -9.570 6.710 0.817 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.879 8.538 1.185 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.826 6.581 2.742 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.224 7.058 3.269 1.00 0.00 H new ATOM 822 N LYS A 408 -10.463 10.497 1.806 1.00 0.00 N ATOM 823 CA LYS A 408 -9.626 11.687 1.952 1.00 0.00 C ATOM 824 C LYS A 408 -8.757 11.618 3.206 1.00 0.00 C ATOM 825 O LYS A 408 -7.541 11.797 3.139 1.00 0.00 O ATOM 826 CB LYS A 408 -10.500 12.941 2.003 1.00 0.00 C ATOM 827 CG LYS A 408 -11.351 13.146 0.761 1.00 0.00 C ATOM 828 CD LYS A 408 -12.226 14.386 0.878 1.00 0.00 C ATOM 829 CE LYS A 408 -11.394 15.655 0.993 1.00 0.00 C ATOM 830 NZ LYS A 408 -12.248 16.868 1.129 1.00 0.00 N ATOM 0 H LYS A 408 -11.465 10.688 1.794 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.966 11.732 1.086 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.153 12.882 2.874 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.861 13.813 2.142 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -10.705 13.237 -0.112 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.980 12.270 0.602 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -12.877 14.456 0.006 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -12.872 14.294 1.751 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -10.732 15.578 1.856 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -10.760 15.754 0.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -11.644 17.711 1.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -12.862 16.956 0.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -12.835 16.785 1.983 1.00 0.00 H new ATOM 844 N GLU A 409 -9.392 11.372 4.348 1.00 0.00 N ATOM 845 CA GLU A 409 -8.689 11.294 5.623 1.00 0.00 C ATOM 846 C GLU A 409 -7.678 10.149 5.645 1.00 0.00 C ATOM 847 O GLU A 409 -6.561 10.308 6.135 1.00 0.00 O ATOM 848 CB GLU A 409 -9.701 11.121 6.756 1.00 0.00 C ATOM 849 CG GLU A 409 -9.069 10.937 8.125 1.00 0.00 C ATOM 850 CD GLU A 409 -8.286 12.153 8.586 1.00 0.00 C ATOM 851 OE1 GLU A 409 -7.279 12.497 7.932 1.00 0.00 O ATOM 852 OE2 GLU A 409 -8.682 12.760 9.603 1.00 0.00 O ATOM 0 H GLU A 409 -10.399 11.222 4.416 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.135 12.223 5.760 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.354 11.993 6.783 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.331 10.258 6.539 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -9.850 10.717 8.853 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -8.405 10.073 8.099 1.00 0.00 H new ATOM 859 N GLU A 410 -8.080 8.996 5.128 1.00 0.00 N ATOM 860 CA GLU A 410 -7.210 7.824 5.104 1.00 0.00 C ATOM 861 C GLU A 410 -5.988 8.049 4.219 1.00 0.00 C ATOM 862 O GLU A 410 -4.867 7.718 4.601 1.00 0.00 O ATOM 863 CB GLU A 410 -7.982 6.596 4.618 1.00 0.00 C ATOM 864 CG GLU A 410 -9.144 6.216 5.518 1.00 0.00 C ATOM 865 CD GLU A 410 -9.874 4.978 5.036 1.00 0.00 C ATOM 866 OE1 GLU A 410 -9.223 3.921 4.901 1.00 0.00 O ATOM 867 OE2 GLU A 410 -11.097 5.063 4.800 1.00 0.00 O ATOM 0 H GLU A 410 -9.002 8.845 4.719 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.864 7.653 6.123 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.359 6.788 3.613 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.297 5.751 4.546 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -8.775 6.045 6.529 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -9.845 7.049 5.571 1.00 0.00 H new ATOM 874 N ALA A 411 -6.211 8.602 3.032 1.00 0.00 N ATOM 875 CA ALA A 411 -5.126 8.856 2.091 1.00 0.00 C ATOM 876 C ALA A 411 -4.102 9.829 2.660 1.00 0.00 C ATOM 877 O ALA A 411 -2.903 9.554 2.647 1.00 0.00 O ATOM 878 CB ALA A 411 -5.682 9.381 0.777 1.00 0.00 C ATOM 0 H ALA A 411 -7.133 8.883 2.698 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.615 7.910 1.911 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.862 9.567 0.083 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.360 8.643 0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.223 10.310 0.956 1.00 0.00 H new ATOM 884 N LYS A 412 -4.576 10.967 3.153 1.00 0.00 N ATOM 885 CA LYS A 412 -3.689 11.975 3.721 1.00 0.00 C ATOM 886 C LYS A 412 -2.929 11.416 4.920 1.00 0.00 C ATOM 887 O LYS A 412 -1.746 11.697 5.102 1.00 0.00 O ATOM 888 CB LYS A 412 -4.480 13.217 4.132 1.00 0.00 C ATOM 889 CG LYS A 412 -5.550 12.944 5.175 1.00 0.00 C ATOM 890 CD LYS A 412 -6.247 14.222 5.610 1.00 0.00 C ATOM 891 CE LYS A 412 -5.277 15.186 6.278 1.00 0.00 C ATOM 892 NZ LYS A 412 -5.949 16.440 6.715 1.00 0.00 N ATOM 0 H LYS A 412 -5.565 11.214 3.171 1.00 0.00 H new ATOM 0 HA LYS A 412 -2.966 12.257 2.955 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -3.789 13.965 4.521 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.949 13.647 3.247 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.285 12.248 4.770 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.099 12.462 6.042 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -6.701 14.703 4.744 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.055 13.980 6.301 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -4.819 14.701 7.140 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -4.472 15.429 5.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -5.253 17.068 7.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -6.364 16.917 5.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -6.700 16.212 7.397 1.00 0.00 H new ATOM 906 N LYS A 413 -3.621 10.629 5.739 1.00 0.00 N ATOM 907 CA LYS A 413 -3.026 10.035 6.921 1.00 0.00 C ATOM 908 C LYS A 413 -1.882 9.092 6.553 1.00 0.00 C ATOM 909 O LYS A 413 -0.810 9.139 7.156 1.00 0.00 O ATOM 910 CB LYS A 413 -4.098 9.282 7.704 1.00 0.00 C ATOM 911 CG LYS A 413 -3.684 8.957 9.123 1.00 0.00 C ATOM 912 CD LYS A 413 -4.820 8.326 9.914 1.00 0.00 C ATOM 913 CE LYS A 413 -5.297 7.025 9.283 1.00 0.00 C ATOM 914 NZ LYS A 413 -6.421 6.418 10.047 1.00 0.00 N ATOM 0 H LYS A 413 -4.603 10.389 5.599 1.00 0.00 H new ATOM 0 HA LYS A 413 -2.612 10.832 7.538 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -5.009 9.880 7.726 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -4.337 8.356 7.181 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -2.832 8.277 9.106 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -3.355 9.868 9.623 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -4.489 8.134 10.935 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -5.653 9.027 9.975 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -5.615 7.214 8.258 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -4.468 6.319 9.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -6.717 5.534 9.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -6.110 6.214 11.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -7.222 7.081 10.072 1.00 0.00 H new ATOM 928 N VAL A 414 -2.115 8.235 5.561 1.00 0.00 N ATOM 929 CA VAL A 414 -1.101 7.282 5.119 1.00 0.00 C ATOM 930 C VAL A 414 0.088 7.996 4.483 1.00 0.00 C ATOM 931 O VAL A 414 1.242 7.699 4.794 1.00 0.00 O ATOM 932 CB VAL A 414 -1.681 6.271 4.111 1.00 0.00 C ATOM 933 CG1 VAL A 414 -0.604 5.309 3.632 1.00 0.00 C ATOM 934 CG2 VAL A 414 -2.844 5.510 4.729 1.00 0.00 C ATOM 0 H VAL A 414 -2.996 8.181 5.049 1.00 0.00 H new ATOM 0 HA VAL A 414 -0.764 6.746 6.006 1.00 0.00 H new ATOM 0 HB VAL A 414 -2.051 6.823 3.247 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -1.036 4.604 2.921 1.00 0.00 H new ATOM 0 HG12 VAL A 414 0.195 5.870 3.147 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -0.199 4.763 4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -3.241 4.801 4.003 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -2.499 4.971 5.611 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -3.627 6.212 5.016 1.00 0.00 H new ATOM 944 N ALA A 415 -0.203 8.938 3.593 1.00 0.00 N ATOM 945 CA ALA A 415 0.835 9.699 2.909 1.00 0.00 C ATOM 946 C ALA A 415 1.629 10.551 3.893 1.00 0.00 C ATOM 947 O ALA A 415 2.832 10.754 3.724 1.00 0.00 O ATOM 948 CB ALA A 415 0.221 10.574 1.827 1.00 0.00 C ATOM 0 H ALA A 415 -1.154 9.194 3.328 1.00 0.00 H new ATOM 0 HA ALA A 415 1.522 8.992 2.443 1.00 0.00 H new ATOM 0 HB1 ALA A 415 1.008 11.137 1.324 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -0.296 9.946 1.102 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -0.489 11.267 2.279 1.00 0.00 H new ATOM 954 N ASP A 416 0.945 11.048 4.919 1.00 0.00 N ATOM 955 CA ASP A 416 1.578 11.884 5.934 1.00 0.00 C ATOM 956 C ASP A 416 2.718 11.149 6.618 1.00 0.00 C ATOM 957 O ASP A 416 3.564 11.753 7.274 1.00 0.00 O ATOM 958 CB ASP A 416 0.551 12.345 6.970 1.00 0.00 C ATOM 959 CG ASP A 416 1.161 13.234 8.035 1.00 0.00 C ATOM 960 OD1 ASP A 416 1.700 14.303 7.678 1.00 0.00 O ATOM 961 OD2 ASP A 416 1.101 12.862 9.225 1.00 0.00 O ATOM 0 H ASP A 416 -0.051 10.886 5.070 1.00 0.00 H new ATOM 0 HA ASP A 416 1.989 12.760 5.433 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.251 12.884 6.467 1.00 0.00 H new ATOM 0 HB3 ASP A 416 0.100 11.473 7.444 1.00 0.00 H new ATOM 966 N GLU A 417 2.728 9.844 6.455 1.00 0.00 N ATOM 967 CA GLU A 417 3.747 8.999 7.035 1.00 0.00 C ATOM 968 C GLU A 417 5.010 9.014 6.178 1.00 0.00 C ATOM 969 O GLU A 417 6.119 9.174 6.688 1.00 0.00 O ATOM 970 CB GLU A 417 3.202 7.584 7.153 1.00 0.00 C ATOM 971 CG GLU A 417 4.191 6.583 7.701 1.00 0.00 C ATOM 972 CD GLU A 417 4.556 6.842 9.152 1.00 0.00 C ATOM 973 OE1 GLU A 417 5.122 7.918 9.441 1.00 0.00 O ATOM 974 OE2 GLU A 417 4.274 5.969 9.999 1.00 0.00 O ATOM 0 H GLU A 417 2.027 9.338 5.914 1.00 0.00 H new ATOM 0 HA GLU A 417 4.011 9.374 8.024 1.00 0.00 H new ATOM 0 HB2 GLU A 417 2.322 7.598 7.796 1.00 0.00 H new ATOM 0 HB3 GLU A 417 2.872 7.251 6.169 1.00 0.00 H new ATOM 0 HG2 GLU A 417 3.773 5.581 7.611 1.00 0.00 H new ATOM 0 HG3 GLU A 417 5.097 6.606 7.095 1.00 0.00 H new ATOM 981 N THR A 418 4.827 8.847 4.871 1.00 0.00 N ATOM 982 CA THR A 418 5.944 8.839 3.935 1.00 0.00 C ATOM 983 C THR A 418 6.335 10.256 3.519 1.00 0.00 C ATOM 984 O THR A 418 6.700 10.494 2.367 1.00 0.00 O ATOM 985 CB THR A 418 5.605 8.025 2.671 1.00 0.00 C ATOM 986 OG1 THR A 418 4.498 8.621 1.986 1.00 0.00 O ATOM 987 CG2 THR A 418 5.267 6.586 3.030 1.00 0.00 C ATOM 0 H THR A 418 3.913 8.715 4.437 1.00 0.00 H new ATOM 0 HA THR A 418 6.783 8.374 4.452 1.00 0.00 H new ATOM 0 HB THR A 418 6.479 8.027 2.020 1.00 0.00 H new ATOM 0 HG1 THR A 418 4.095 9.311 2.554 1.00 0.00 H new ATOM 0 HG21 THR A 418 5.031 6.030 2.122 1.00 0.00 H new ATOM 0 HG22 THR A 418 6.121 6.125 3.526 1.00 0.00 H new ATOM 0 HG23 THR A 418 4.407 6.570 3.699 1.00 0.00 H new ATOM 995 N ALA A 419 6.260 11.193 4.461 1.00 0.00 N ATOM 996 CA ALA A 419 6.610 12.585 4.184 1.00 0.00 C ATOM 997 C ALA A 419 6.644 13.416 5.465 1.00 0.00 C ATOM 998 O ALA A 419 7.530 14.251 5.649 1.00 0.00 O ATOM 999 CB ALA A 419 5.627 13.190 3.191 1.00 0.00 C ATOM 0 H ALA A 419 5.961 11.015 5.420 1.00 0.00 H new ATOM 0 HA ALA A 419 7.609 12.598 3.749 1.00 0.00 H new ATOM 0 HB1 ALA A 419 5.900 14.227 2.994 1.00 0.00 H new ATOM 0 HB2 ALA A 419 5.656 12.624 2.260 1.00 0.00 H new ATOM 0 HB3 ALA A 419 4.620 13.153 3.607 1.00 0.00 H new ATOM 1005 N LYS A 420 5.670 13.182 6.339 1.00 0.00 N ATOM 1006 CA LYS A 420 5.573 13.904 7.605 1.00 0.00 C ATOM 1007 C LYS A 420 5.389 15.401 7.371 1.00 0.00 C ATOM 1008 O LYS A 420 5.929 16.227 8.110 1.00 0.00 O ATOM 1009 CB LYS A 420 6.815 13.652 8.467 1.00 0.00 C ATOM 1010 CG LYS A 420 7.006 12.194 8.849 1.00 0.00 C ATOM 1011 CD LYS A 420 8.218 12.006 9.746 1.00 0.00 C ATOM 1012 CE LYS A 420 8.412 10.545 10.121 1.00 0.00 C ATOM 1013 NZ LYS A 420 9.584 10.352 11.019 1.00 0.00 N ATOM 0 H LYS A 420 4.932 12.493 6.193 1.00 0.00 H new ATOM 0 HA LYS A 420 4.697 13.531 8.135 1.00 0.00 H new ATOM 0 HB2 LYS A 420 7.697 13.996 7.927 1.00 0.00 H new ATOM 0 HB3 LYS A 420 6.744 14.250 9.375 1.00 0.00 H new ATOM 0 HG2 LYS A 420 6.114 11.831 9.360 1.00 0.00 H new ATOM 0 HG3 LYS A 420 7.123 11.593 7.947 1.00 0.00 H new ATOM 0 HD2 LYS A 420 9.109 12.374 9.237 1.00 0.00 H new ATOM 0 HD3 LYS A 420 8.099 12.602 10.651 1.00 0.00 H new ATOM 0 HE2 LYS A 420 7.513 10.174 10.613 1.00 0.00 H new ATOM 0 HE3 LYS A 420 8.547 9.953 9.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 9.681 9.343 11.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 10.446 10.682 10.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 9.444 10.896 11.894 1.00 0.00 H new ATOM 1027 N ASP A 421 4.615 15.744 6.346 1.00 0.00 N ATOM 1028 CA ASP A 421 4.347 17.140 6.019 1.00 0.00 C ATOM 1029 C ASP A 421 3.193 17.679 6.862 1.00 0.00 C ATOM 1030 O ASP A 421 2.277 18.317 6.340 1.00 0.00 O ATOM 1031 CB ASP A 421 4.021 17.287 4.530 1.00 0.00 C ATOM 1032 CG ASP A 421 5.168 16.850 3.637 1.00 0.00 C ATOM 1033 OD1 ASP A 421 6.217 16.434 4.175 1.00 0.00 O ATOM 1034 OD2 ASP A 421 5.018 16.925 2.399 1.00 0.00 O ATOM 0 H ASP A 421 4.162 15.073 5.726 1.00 0.00 H new ATOM 0 HA ASP A 421 5.242 17.720 6.243 1.00 0.00 H new ATOM 0 HB2 ASP A 421 3.136 16.695 4.295 1.00 0.00 H new ATOM 0 HB3 ASP A 421 3.775 18.327 4.316 1.00 0.00 H new ATOM 1039 N GLY A 422 3.239 17.410 8.164 1.00 0.00 N ATOM 1040 CA GLY A 422 2.188 17.867 9.057 1.00 0.00 C ATOM 1041 C GLY A 422 1.973 19.367 8.993 1.00 0.00 C ATOM 1042 O GLY A 422 2.924 20.144 9.081 1.00 0.00 O ATOM 0 H GLY A 422 3.986 16.883 8.617 1.00 0.00 H new ATOM 0 HA2 GLY A 422 1.257 17.360 8.804 1.00 0.00 H new ATOM 0 HA3 GLY A 422 2.438 17.584 10.079 1.00 0.00 H new ATOM 1046 N LYS A 423 0.715 19.774 8.836 1.00 0.00 N ATOM 1047 CA LYS A 423 0.369 21.189 8.757 1.00 0.00 C ATOM 1048 C LYS A 423 0.665 21.904 10.072 1.00 0.00 C ATOM 1049 O LYS A 423 0.422 21.365 11.152 1.00 0.00 O ATOM 1050 CB LYS A 423 -1.105 21.360 8.357 1.00 0.00 C ATOM 1051 CG LYS A 423 -2.099 20.625 9.252 1.00 0.00 C ATOM 1052 CD LYS A 423 -2.434 21.417 10.505 1.00 0.00 C ATOM 1053 CE LYS A 423 -3.409 20.662 11.394 1.00 0.00 C ATOM 1054 NZ LYS A 423 -4.682 20.351 10.685 1.00 0.00 N ATOM 0 H LYS A 423 -0.082 19.142 8.761 1.00 0.00 H new ATOM 0 HA LYS A 423 0.989 21.647 7.987 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -1.348 22.423 8.364 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -1.232 21.010 7.332 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -3.014 20.429 8.692 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -1.685 19.657 9.535 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -1.520 21.626 11.060 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -2.864 22.379 10.225 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -2.947 19.735 11.734 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -3.624 21.255 12.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -5.396 20.039 11.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -5.023 21.202 10.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -4.517 19.594 9.991 1.00 0.00 H new ATOM 1068 N THR A 424 1.203 23.118 9.967 1.00 0.00 N ATOM 1069 CA THR A 424 1.546 23.922 11.139 1.00 0.00 C ATOM 1070 C THR A 424 2.322 23.107 12.169 1.00 0.00 C ATOM 1071 O THR A 424 2.039 23.168 13.366 1.00 0.00 O ATOM 1072 CB THR A 424 0.289 24.520 11.802 1.00 0.00 C ATOM 1073 OG1 THR A 424 -0.581 23.474 12.248 1.00 0.00 O ATOM 1074 CG2 THR A 424 -0.453 25.424 10.831 1.00 0.00 C ATOM 0 H THR A 424 1.412 23.569 9.076 1.00 0.00 H new ATOM 0 HA THR A 424 2.178 24.736 10.784 1.00 0.00 H new ATOM 0 HB THR A 424 0.607 25.113 12.660 1.00 0.00 H new ATOM 0 HG1 THR A 424 -0.100 22.620 12.235 1.00 0.00 H new ATOM 0 HG21 THR A 424 -1.336 25.835 11.319 1.00 0.00 H new ATOM 0 HG22 THR A 424 0.201 26.238 10.519 1.00 0.00 H new ATOM 0 HG23 THR A 424 -0.757 24.848 9.957 1.00 0.00 H new ATOM 1082 N GLY A 425 3.303 22.343 11.696 1.00 0.00 N ATOM 1083 CA GLY A 425 4.105 21.528 12.589 1.00 0.00 C ATOM 1084 C GLY A 425 4.919 22.359 13.562 1.00 0.00 C ATOM 1085 O GLY A 425 4.932 22.084 14.762 1.00 0.00 O ATOM 0 H GLY A 425 3.556 22.274 10.710 1.00 0.00 H new ATOM 0 HA2 GLY A 425 3.452 20.857 13.147 1.00 0.00 H new ATOM 0 HA3 GLY A 425 4.776 20.903 12.000 1.00 0.00 H new ATOM 1089 N ASN A 426 5.598 23.377 13.043 1.00 0.00 N ATOM 1090 CA ASN A 426 6.420 24.253 13.872 1.00 0.00 C ATOM 1091 C ASN A 426 5.564 24.999 14.891 1.00 0.00 C ATOM 1092 O ASN A 426 4.501 25.522 14.556 1.00 0.00 O ATOM 1093 CB ASN A 426 7.176 25.256 12.997 1.00 0.00 C ATOM 1094 CG ASN A 426 8.077 24.577 11.983 1.00 0.00 C ATOM 1095 OD1 ASN A 426 8.986 23.830 12.345 1.00 0.00 O ATOM 1096 ND2 ASN A 426 7.828 24.836 10.704 1.00 0.00 N ATOM 0 H ASN A 426 5.596 23.616 12.051 1.00 0.00 H new ATOM 0 HA ASN A 426 7.138 23.633 14.409 1.00 0.00 H new ATOM 0 HB2 ASN A 426 6.460 25.890 12.475 1.00 0.00 H new ATOM 0 HB3 ASN A 426 7.776 25.908 13.632 1.00 0.00 H new ATOM 0 HD21 ASN A 426 8.401 24.409 9.976 1.00 0.00 H new ATOM 0 HD22 ASN A 426 7.064 25.462 10.450 1.00 0.00 H new ATOM 1103 N THR A 427 6.035 25.047 16.133 1.00 0.00 N ATOM 1104 CA THR A 427 5.310 25.733 17.197 1.00 0.00 C ATOM 1105 C THR A 427 5.172 27.220 16.890 1.00 0.00 C ATOM 1106 O THR A 427 4.065 27.759 16.882 1.00 0.00 O ATOM 1107 CB THR A 427 6.012 25.566 18.558 1.00 0.00 C ATOM 1108 OG1 THR A 427 7.343 26.092 18.492 1.00 0.00 O ATOM 1109 CG2 THR A 427 6.061 24.100 18.965 1.00 0.00 C ATOM 0 H THR A 427 6.913 24.620 16.427 1.00 0.00 H new ATOM 0 HA THR A 427 4.321 25.278 17.251 1.00 0.00 H new ATOM 0 HB THR A 427 5.441 26.117 19.306 1.00 0.00 H new ATOM 0 HG1 THR A 427 7.781 25.983 19.362 1.00 0.00 H new ATOM 0 HG21 THR A 427 6.561 24.007 19.929 1.00 0.00 H new ATOM 0 HG22 THR A 427 5.046 23.710 19.043 1.00 0.00 H new ATOM 0 HG23 THR A 427 6.611 23.532 18.214 1.00 0.00 H new ATOM 1117 N ASN A 428 6.305 27.870 16.629 1.00 0.00 N ATOM 1118 CA ASN A 428 6.326 29.294 16.311 1.00 0.00 C ATOM 1119 C ASN A 428 7.758 29.781 16.113 1.00 0.00 C ATOM 1120 O ASN A 428 8.080 30.398 15.097 1.00 0.00 O ATOM 1121 CB ASN A 428 5.655 30.103 17.425 1.00 0.00 C ATOM 1122 CG ASN A 428 5.505 31.578 17.086 1.00 0.00 C ATOM 1123 OD1 ASN A 428 5.834 31.951 15.852 1.00 0.00 O flip ATOM 1124 ND2 ASN A 428 5.085 32.374 17.925 1.00 0.00 N flip ATOM 0 H ASN A 428 7.225 27.429 16.632 1.00 0.00 H new ATOM 0 HA ASN A 428 5.773 29.440 15.383 1.00 0.00 H new ATOM 0 HB2 ASN A 428 4.671 29.682 17.629 1.00 0.00 H new ATOM 0 HB3 ASN A 428 6.240 30.004 18.340 1.00 0.00 H new ATOM 0 HD21 ASN A 428 4.843 32.048 18.861 1.00 0.00 H new ATOM 0 HD22 ASN A 428 4.978 33.359 17.685 1.00 0.00 H new ATOM 1131 N THR A 429 8.614 29.500 17.091 1.00 0.00 N ATOM 1132 CA THR A 429 10.013 29.909 17.026 1.00 0.00 C ATOM 1133 C THR A 429 10.791 29.039 16.041 1.00 0.00 C ATOM 1134 O THR A 429 10.204 28.235 15.316 1.00 0.00 O ATOM 1135 CB THR A 429 10.676 29.838 18.418 1.00 0.00 C ATOM 1136 OG1 THR A 429 12.006 30.369 18.363 1.00 0.00 O ATOM 1137 CG2 THR A 429 10.721 28.405 18.926 1.00 0.00 C ATOM 0 H THR A 429 8.363 28.990 17.938 1.00 0.00 H new ATOM 0 HA THR A 429 10.036 30.942 16.678 1.00 0.00 H new ATOM 0 HB THR A 429 10.077 30.434 19.106 1.00 0.00 H new ATOM 0 HG1 THR A 429 12.009 31.188 17.825 1.00 0.00 H new ATOM 0 HG21 THR A 429 11.193 28.382 19.908 1.00 0.00 H new ATOM 0 HG22 THR A 429 9.706 28.014 19.001 1.00 0.00 H new ATOM 0 HG23 THR A 429 11.296 27.791 18.233 1.00 0.00 H new ATOM 1145 N THR A 430 12.112 29.203 16.016 1.00 0.00 N ATOM 1146 CA THR A 430 12.965 28.431 15.118 1.00 0.00 C ATOM 1147 C THR A 430 13.226 27.026 15.661 1.00 0.00 C ATOM 1148 O THR A 430 14.352 26.525 15.606 1.00 0.00 O ATOM 1149 CB THR A 430 14.311 29.145 14.877 1.00 0.00 C ATOM 1150 OG1 THR A 430 15.126 28.375 13.985 1.00 0.00 O ATOM 1151 CG2 THR A 430 15.052 29.366 16.187 1.00 0.00 C ATOM 0 H THR A 430 12.614 29.864 16.608 1.00 0.00 H new ATOM 0 HA THR A 430 12.432 28.346 14.171 1.00 0.00 H new ATOM 0 HB THR A 430 14.103 30.116 14.428 1.00 0.00 H new ATOM 0 HG1 THR A 430 15.243 27.472 14.346 1.00 0.00 H new ATOM 0 HG21 THR A 430 15.998 29.871 15.989 1.00 0.00 H new ATOM 0 HG22 THR A 430 14.444 29.981 16.850 1.00 0.00 H new ATOM 0 HG23 THR A 430 15.247 28.404 16.662 1.00 0.00 H new ATOM 1159 N GLY A 431 12.183 26.390 16.185 1.00 0.00 N ATOM 1160 CA GLY A 431 12.327 25.053 16.727 1.00 0.00 C ATOM 1161 C GLY A 431 12.969 25.059 18.097 1.00 0.00 C ATOM 1162 O GLY A 431 13.876 25.849 18.358 1.00 0.00 O ATOM 0 H GLY A 431 11.241 26.777 16.244 1.00 0.00 H new ATOM 0 HA2 GLY A 431 11.347 24.580 16.789 1.00 0.00 H new ATOM 0 HA3 GLY A 431 12.930 24.450 16.048 1.00 0.00 H new ATOM 1166 N SER A 432 12.492 24.184 18.976 1.00 0.00 N ATOM 1167 CA SER A 432 13.024 24.101 20.330 1.00 0.00 C ATOM 1168 C SER A 432 14.539 23.927 20.308 1.00 0.00 C ATOM 1169 O SER A 432 15.051 22.888 19.891 1.00 0.00 O ATOM 1170 CB SER A 432 12.376 22.938 21.085 1.00 0.00 C ATOM 1171 OG SER A 432 10.973 23.109 21.181 1.00 0.00 O ATOM 0 H SER A 432 11.740 23.524 18.775 1.00 0.00 H new ATOM 0 HA SER A 432 12.790 25.033 20.844 1.00 0.00 H new ATOM 0 HB2 SER A 432 12.597 22.001 20.574 1.00 0.00 H new ATOM 0 HB3 SER A 432 12.806 22.865 22.084 1.00 0.00 H new ATOM 0 HG SER A 432 10.584 22.352 21.666 1.00 0.00 H new ATOM 1177 N SER A 433 15.246 24.956 20.762 1.00 0.00 N ATOM 1178 CA SER A 433 16.706 24.929 20.799 1.00 0.00 C ATOM 1179 C SER A 433 17.253 26.120 21.579 1.00 0.00 C ATOM 1180 O SER A 433 17.699 25.920 22.728 1.00 0.00 O ATOM 1181 CB SER A 433 17.275 24.931 19.378 1.00 0.00 C ATOM 1182 OG SER A 433 18.690 24.876 19.395 1.00 0.00 O ATOM 1183 OXT SER A 433 17.232 27.244 21.033 1.00 0.00 O ATOM 0 H SER A 433 14.832 25.821 21.110 1.00 0.00 H new ATOM 0 HA SER A 433 17.014 24.014 21.305 1.00 0.00 H new ATOM 0 HB2 SER A 433 16.882 24.079 18.824 1.00 0.00 H new ATOM 0 HB3 SER A 433 16.949 25.829 18.854 1.00 0.00 H new ATOM 0 HG SER A 433 19.028 24.877 18.475 1.00 0.00 H new TER 1189 SER A 433