USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=25 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= 0.382 K(o=0.79,f=-4.1!) USER MOD Set 1.2: A 405 THR OG1 : rot 23:sc= 0.403 USER MOD Set 2.1: A 377 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 380 SER OG : rot -35:sc= 0.0449! USER MOD Single : A 355 SER OG : rot 180:sc= 0 USER MOD Single : A 356 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-2.9!) USER MOD Single : A 357 MET CE :methyl 161:sc= -0.116 (180deg=-0.615) USER MOD Single : A 362 THR OG1 : rot 180:sc= -0.173 USER MOD Single : A 363 GLN : amide:sc= -0.853 K(o=-0.85,f=-3!) USER MOD Single : A 364 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 365 HIS : no HD1:sc= -0.33 X(o=-0.33,f=-0.33) USER MOD Single : A 366 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 370 SER OG : rot 180:sc= -0.437 USER MOD Single : A 371 GLN : amide:sc= -0.0019 X(o=-0.0019,f=0) USER MOD Single : A 372 GLN : amide:sc= -3.1 K(o=-3.1,f=-6.9!) USER MOD Single : A 373 GLN : amide:sc= -1.39! X(o=-1.4!,f=-0.92) USER MOD Single : A 382 ASN :FLIP amide:sc= -0.91 F(o=-3.9!,f=-0.91) USER MOD Single : A 383 LYS NZ :NH3+ -173:sc=-0.00825 (180deg=-0.109) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 386 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 387 ASN : amide:sc= -2.59! C(o=-2.6!,f=-6.3!) USER MOD Single : A 390 LYS NZ :NH3+ 162:sc=0.000777 (180deg=0) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ -154:sc= 1.2 (180deg=0.541) USER MOD Single : A 397 ASN : amide:sc= 0.455 K(o=0.45,f=-3.6!) USER MOD Single : A 401 ASN : amide:sc= -2.12 X(o=-2.1,f=-2.1) USER MOD Single : A 402 LYS NZ :NH3+ -159:sc= -0.0813 (180deg=-0.512) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 LYS NZ :NH3+ -169:sc= 0.00922 (180deg=-0.186) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 413 LYS NZ :NH3+ -167:sc= -0.0227 (180deg=-0.213) USER MOD Single : A 418 THR OG1 : rot -17:sc= 0.962 USER MOD Single : A 420 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 423 LYS NZ :NH3+ 169:sc=-0.00626 (180deg=-0.147) USER MOD Single : A 424 THR OG1 : rot 180:sc= 0 USER MOD Single : A 426 ASN : amide:sc= -0.013 X(o=-0.013,f=-0.013) USER MOD Single : A 427 THR OG1 : rot 180:sc= 0 USER MOD Single : A 428 ASN :FLIP amide:sc= -0.284 F(o=-2.3!,f=-0.28) USER MOD Single : A 429 THR OG1 : rot 180:sc= 0 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 SER OG : rot 59:sc= 0.34 USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 354 17.313 2.288 -6.225 1.00 0.00 N ATOM 2 CA GLY A 354 15.905 2.596 -6.599 1.00 0.00 C ATOM 3 C GLY A 354 15.503 4.009 -6.226 1.00 0.00 C ATOM 4 O GLY A 354 14.428 4.227 -5.666 1.00 0.00 O ATOM 0 HA2 GLY A 354 15.779 2.457 -7.673 1.00 0.00 H new ATOM 0 HA3 GLY A 354 15.238 1.889 -6.105 1.00 0.00 H new ATOM 10 N SER A 355 16.369 4.969 -6.535 1.00 0.00 N ATOM 11 CA SER A 355 16.103 6.369 -6.228 1.00 0.00 C ATOM 12 C SER A 355 14.972 6.913 -7.101 1.00 0.00 C ATOM 13 O SER A 355 13.988 6.220 -7.358 1.00 0.00 O ATOM 14 CB SER A 355 17.376 7.198 -6.423 1.00 0.00 C ATOM 15 OG SER A 355 18.416 6.741 -5.575 1.00 0.00 O ATOM 0 H SER A 355 17.262 4.802 -6.998 1.00 0.00 H new ATOM 0 HA SER A 355 15.789 6.442 -5.187 1.00 0.00 H new ATOM 0 HB2 SER A 355 17.697 7.138 -7.463 1.00 0.00 H new ATOM 0 HB3 SER A 355 17.166 8.247 -6.214 1.00 0.00 H new ATOM 0 HG SER A 355 19.218 7.285 -5.719 1.00 0.00 H new ATOM 21 N HIS A 356 15.115 8.157 -7.556 1.00 0.00 N ATOM 22 CA HIS A 356 14.102 8.783 -8.398 1.00 0.00 C ATOM 23 C HIS A 356 13.966 8.045 -9.727 1.00 0.00 C ATOM 24 O HIS A 356 14.961 7.745 -10.387 1.00 0.00 O ATOM 25 CB HIS A 356 14.455 10.253 -8.646 1.00 0.00 C ATOM 26 CG HIS A 356 13.463 10.973 -9.508 1.00 0.00 C ATOM 27 ND1 HIS A 356 13.202 10.616 -10.815 1.00 0.00 N ATOM 28 CD2 HIS A 356 12.667 12.037 -9.245 1.00 0.00 C ATOM 29 CE1 HIS A 356 12.290 11.429 -11.317 1.00 0.00 C ATOM 30 NE2 HIS A 356 11.948 12.298 -10.386 1.00 0.00 N ATOM 0 H HIS A 356 15.921 8.748 -7.355 1.00 0.00 H new ATOM 0 HA HIS A 356 13.146 8.730 -7.877 1.00 0.00 H new ATOM 0 HB2 HIS A 356 14.530 10.766 -7.687 1.00 0.00 H new ATOM 0 HB3 HIS A 356 15.438 10.308 -9.115 1.00 0.00 H new ATOM 0 HD2 HIS A 356 12.609 12.579 -8.313 1.00 0.00 H new ATOM 0 HE1 HIS A 356 11.892 11.389 -12.320 1.00 0.00 H new ATOM 0 HE2 HIS A 356 11.261 13.044 -10.495 1.00 0.00 H new ATOM 39 N MET A 357 12.724 7.758 -10.112 1.00 0.00 N ATOM 40 CA MET A 357 12.443 7.057 -11.362 1.00 0.00 C ATOM 41 C MET A 357 11.067 7.440 -11.895 1.00 0.00 C ATOM 42 O MET A 357 10.083 7.445 -11.156 1.00 0.00 O ATOM 43 CB MET A 357 12.504 5.540 -11.154 1.00 0.00 C ATOM 44 CG MET A 357 13.879 5.024 -10.760 1.00 0.00 C ATOM 45 SD MET A 357 13.893 3.247 -10.452 1.00 0.00 S ATOM 46 CE MET A 357 13.359 2.620 -12.042 1.00 0.00 C ATOM 0 H MET A 357 11.893 8.002 -9.573 1.00 0.00 H new ATOM 0 HA MET A 357 13.201 7.350 -12.088 1.00 0.00 H new ATOM 0 HB2 MET A 357 11.787 5.261 -10.382 1.00 0.00 H new ATOM 0 HB3 MET A 357 12.191 5.045 -12.073 1.00 0.00 H new ATOM 0 HG2 MET A 357 14.591 5.257 -11.552 1.00 0.00 H new ATOM 0 HG3 MET A 357 14.216 5.547 -9.865 1.00 0.00 H new ATOM 0 HE1 MET A 357 13.633 1.569 -12.129 1.00 0.00 H new ATOM 0 HE2 MET A 357 12.277 2.721 -12.128 1.00 0.00 H new ATOM 0 HE3 MET A 357 13.841 3.188 -12.838 1.00 0.00 H new ATOM 56 N LEU A 358 11.005 7.760 -13.184 1.00 0.00 N ATOM 57 CA LEU A 358 9.746 8.141 -13.814 1.00 0.00 C ATOM 58 C LEU A 358 8.760 6.984 -13.784 1.00 0.00 C ATOM 59 O LEU A 358 7.585 7.158 -13.462 1.00 0.00 O ATOM 60 CB LEU A 358 9.987 8.593 -15.256 1.00 0.00 C ATOM 61 CG LEU A 358 10.915 9.800 -15.414 1.00 0.00 C ATOM 62 CD1 LEU A 358 11.108 10.134 -16.886 1.00 0.00 C ATOM 63 CD2 LEU A 358 10.365 11.003 -14.661 1.00 0.00 C ATOM 0 H LEU A 358 11.810 7.763 -13.811 1.00 0.00 H new ATOM 0 HA LEU A 358 9.320 8.973 -13.253 1.00 0.00 H new ATOM 0 HB2 LEU A 358 10.406 7.757 -15.817 1.00 0.00 H new ATOM 0 HB3 LEU A 358 9.026 8.832 -15.710 1.00 0.00 H new ATOM 0 HG LEU A 358 11.885 9.545 -14.988 1.00 0.00 H new ATOM 0 HD11 LEU A 358 11.770 10.995 -16.980 1.00 0.00 H new ATOM 0 HD12 LEU A 358 11.549 9.279 -17.398 1.00 0.00 H new ATOM 0 HD13 LEU A 358 10.143 10.368 -17.336 1.00 0.00 H new ATOM 0 HD21 LEU A 358 11.039 11.850 -14.786 1.00 0.00 H new ATOM 0 HD22 LEU A 358 9.382 11.261 -15.055 1.00 0.00 H new ATOM 0 HD23 LEU A 358 10.279 10.761 -13.602 1.00 0.00 H new ATOM 75 N GLU A 359 9.255 5.803 -14.118 1.00 0.00 N ATOM 76 CA GLU A 359 8.433 4.599 -14.126 1.00 0.00 C ATOM 77 C GLU A 359 8.074 4.181 -12.704 1.00 0.00 C ATOM 78 O GLU A 359 8.932 4.164 -11.821 1.00 0.00 O ATOM 79 CB GLU A 359 9.166 3.461 -14.839 1.00 0.00 C ATOM 80 CG GLU A 359 9.491 3.761 -16.293 1.00 0.00 C ATOM 81 CD GLU A 359 10.218 2.618 -16.975 1.00 0.00 C ATOM 82 OE1 GLU A 359 11.318 2.253 -16.510 1.00 0.00 O ATOM 83 OE2 GLU A 359 9.686 2.089 -17.973 1.00 0.00 O ATOM 0 H GLU A 359 10.226 5.650 -14.389 1.00 0.00 H new ATOM 0 HA GLU A 359 7.511 4.818 -14.665 1.00 0.00 H new ATOM 0 HB2 GLU A 359 10.092 3.246 -14.306 1.00 0.00 H new ATOM 0 HB3 GLU A 359 8.554 2.560 -14.791 1.00 0.00 H new ATOM 0 HG2 GLU A 359 8.567 3.973 -16.832 1.00 0.00 H new ATOM 0 HG3 GLU A 359 10.104 4.660 -16.346 1.00 0.00 H new ATOM 90 N VAL A 360 6.806 3.846 -12.487 1.00 0.00 N ATOM 91 CA VAL A 360 6.342 3.430 -11.169 1.00 0.00 C ATOM 92 C VAL A 360 7.070 2.175 -10.699 1.00 0.00 C ATOM 93 O VAL A 360 7.230 1.215 -11.454 1.00 0.00 O ATOM 94 CB VAL A 360 4.823 3.171 -11.159 1.00 0.00 C ATOM 95 CG1 VAL A 360 4.063 4.446 -11.491 1.00 0.00 C ATOM 96 CG2 VAL A 360 4.456 2.060 -12.132 1.00 0.00 C ATOM 0 H VAL A 360 6.083 3.855 -13.206 1.00 0.00 H new ATOM 0 HA VAL A 360 6.563 4.249 -10.485 1.00 0.00 H new ATOM 0 HB VAL A 360 4.539 2.851 -10.157 1.00 0.00 H new ATOM 0 HG11 VAL A 360 2.992 4.245 -11.479 1.00 0.00 H new ATOM 0 HG12 VAL A 360 4.296 5.212 -10.751 1.00 0.00 H new ATOM 0 HG13 VAL A 360 4.356 4.797 -12.481 1.00 0.00 H new ATOM 0 HG21 VAL A 360 3.379 1.896 -12.107 1.00 0.00 H new ATOM 0 HG22 VAL A 360 4.756 2.345 -13.140 1.00 0.00 H new ATOM 0 HG23 VAL A 360 4.970 1.142 -11.847 1.00 0.00 H new ATOM 106 N LEU A 361 7.514 2.193 -9.447 1.00 0.00 N ATOM 107 CA LEU A 361 8.228 1.059 -8.870 1.00 0.00 C ATOM 108 C LEU A 361 7.347 -0.187 -8.856 1.00 0.00 C ATOM 109 O LEU A 361 7.840 -1.307 -8.989 1.00 0.00 O ATOM 110 CB LEU A 361 8.705 1.378 -7.446 1.00 0.00 C ATOM 111 CG LEU A 361 7.606 1.525 -6.387 1.00 0.00 C ATOM 112 CD1 LEU A 361 8.222 1.661 -5.003 1.00 0.00 C ATOM 113 CD2 LEU A 361 6.716 2.723 -6.685 1.00 0.00 C ATOM 0 H LEU A 361 7.392 2.981 -8.811 1.00 0.00 H new ATOM 0 HA LEU A 361 9.100 0.865 -9.494 1.00 0.00 H new ATOM 0 HB2 LEU A 361 9.386 0.589 -7.127 1.00 0.00 H new ATOM 0 HB3 LEU A 361 9.280 2.304 -7.475 1.00 0.00 H new ATOM 0 HG LEU A 361 6.989 0.627 -6.414 1.00 0.00 H new ATOM 0 HD11 LEU A 361 7.430 1.765 -4.261 1.00 0.00 H new ATOM 0 HD12 LEU A 361 8.815 0.774 -4.780 1.00 0.00 H new ATOM 0 HD13 LEU A 361 8.863 2.542 -4.975 1.00 0.00 H new ATOM 0 HD21 LEU A 361 5.945 2.803 -5.918 1.00 0.00 H new ATOM 0 HD22 LEU A 361 7.318 3.631 -6.691 1.00 0.00 H new ATOM 0 HD23 LEU A 361 6.246 2.593 -7.660 1.00 0.00 H new ATOM 125 N THR A 362 6.045 0.015 -8.688 1.00 0.00 N ATOM 126 CA THR A 362 5.098 -1.093 -8.649 1.00 0.00 C ATOM 127 C THR A 362 5.126 -1.899 -9.945 1.00 0.00 C ATOM 128 O THR A 362 5.372 -3.105 -9.928 1.00 0.00 O ATOM 129 CB THR A 362 3.664 -0.594 -8.397 1.00 0.00 C ATOM 130 OG1 THR A 362 3.260 0.294 -9.448 1.00 0.00 O ATOM 131 CG2 THR A 362 3.568 0.124 -7.059 1.00 0.00 C ATOM 0 H THR A 362 5.621 0.936 -8.577 1.00 0.00 H new ATOM 0 HA THR A 362 5.404 -1.737 -7.824 1.00 0.00 H new ATOM 0 HB THR A 362 3.002 -1.459 -8.378 1.00 0.00 H new ATOM 0 HG1 THR A 362 2.346 0.605 -9.280 1.00 0.00 H new ATOM 0 HG21 THR A 362 2.545 0.468 -6.903 1.00 0.00 H new ATOM 0 HG22 THR A 362 3.847 -0.560 -6.258 1.00 0.00 H new ATOM 0 HG23 THR A 362 4.243 0.980 -7.056 1.00 0.00 H new ATOM 139 N GLN A 363 4.875 -1.229 -11.067 1.00 0.00 N ATOM 140 CA GLN A 363 4.874 -1.894 -12.366 1.00 0.00 C ATOM 141 C GLN A 363 6.293 -2.044 -12.905 1.00 0.00 C ATOM 142 O GLN A 363 6.982 -1.054 -13.151 1.00 0.00 O ATOM 143 CB GLN A 363 4.021 -1.109 -13.365 1.00 0.00 C ATOM 144 CG GLN A 363 2.557 -0.999 -12.966 1.00 0.00 C ATOM 145 CD GLN A 363 1.851 -2.342 -12.949 1.00 0.00 C ATOM 146 OE1 GLN A 363 2.217 -3.242 -12.193 1.00 0.00 O ATOM 147 NE2 GLN A 363 0.830 -2.483 -13.787 1.00 0.00 N ATOM 0 H GLN A 363 4.671 -0.230 -11.103 1.00 0.00 H new ATOM 0 HA GLN A 363 4.447 -2.888 -12.233 1.00 0.00 H new ATOM 0 HB2 GLN A 363 4.435 -0.107 -13.474 1.00 0.00 H new ATOM 0 HB3 GLN A 363 4.087 -1.589 -14.341 1.00 0.00 H new ATOM 0 HG2 GLN A 363 2.487 -0.544 -11.978 1.00 0.00 H new ATOM 0 HG3 GLN A 363 2.045 -0.333 -13.660 1.00 0.00 H new ATOM 0 HE21 GLN A 363 0.560 -1.711 -14.396 1.00 0.00 H new ATOM 0 HE22 GLN A 363 0.316 -3.363 -13.821 1.00 0.00 H new ATOM 156 N LYS A 364 6.721 -3.288 -13.094 1.00 0.00 N ATOM 157 CA LYS A 364 8.049 -3.572 -13.611 1.00 0.00 C ATOM 158 C LYS A 364 8.090 -4.970 -14.211 1.00 0.00 C ATOM 159 O LYS A 364 7.131 -5.731 -14.092 1.00 0.00 O ATOM 160 CB LYS A 364 9.101 -3.440 -12.507 1.00 0.00 C ATOM 161 CG LYS A 364 8.772 -4.229 -11.248 1.00 0.00 C ATOM 162 CD LYS A 364 9.943 -4.246 -10.272 1.00 0.00 C ATOM 163 CE LYS A 364 10.331 -2.843 -9.827 1.00 0.00 C ATOM 164 NZ LYS A 364 11.468 -2.858 -8.867 1.00 0.00 N ATOM 0 H LYS A 364 6.162 -4.117 -12.895 1.00 0.00 H new ATOM 0 HA LYS A 364 8.277 -2.845 -14.390 1.00 0.00 H new ATOM 0 HB2 LYS A 364 10.064 -3.775 -12.893 1.00 0.00 H new ATOM 0 HB3 LYS A 364 9.211 -2.387 -12.247 1.00 0.00 H new ATOM 0 HG2 LYS A 364 7.900 -3.792 -10.762 1.00 0.00 H new ATOM 0 HG3 LYS A 364 8.508 -5.252 -11.518 1.00 0.00 H new ATOM 0 HD2 LYS A 364 9.680 -4.844 -9.399 1.00 0.00 H new ATOM 0 HD3 LYS A 364 10.800 -4.728 -10.742 1.00 0.00 H new ATOM 0 HE2 LYS A 364 10.601 -2.247 -10.699 1.00 0.00 H new ATOM 0 HE3 LYS A 364 9.471 -2.359 -9.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 11.701 -1.883 -8.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 11.203 -3.405 -8.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 12.297 -3.297 -9.317 1.00 0.00 H new ATOM 178 N HIS A 365 9.202 -5.301 -14.853 1.00 0.00 N ATOM 179 CA HIS A 365 9.365 -6.614 -15.464 1.00 0.00 C ATOM 180 C HIS A 365 9.684 -7.660 -14.396 1.00 0.00 C ATOM 181 O HIS A 365 10.574 -8.493 -14.567 1.00 0.00 O ATOM 182 CB HIS A 365 10.473 -6.570 -16.523 1.00 0.00 C ATOM 183 CG HIS A 365 10.602 -7.834 -17.318 1.00 0.00 C ATOM 184 ND1 HIS A 365 9.572 -8.363 -18.067 1.00 0.00 N ATOM 185 CD2 HIS A 365 11.651 -8.677 -17.476 1.00 0.00 C ATOM 186 CE1 HIS A 365 9.980 -9.477 -18.649 1.00 0.00 C ATOM 187 NE2 HIS A 365 11.237 -9.688 -18.307 1.00 0.00 N ATOM 0 H HIS A 365 10.004 -4.680 -14.964 1.00 0.00 H new ATOM 0 HA HIS A 365 8.431 -6.894 -15.951 1.00 0.00 H new ATOM 0 HB2 HIS A 365 10.278 -5.742 -17.204 1.00 0.00 H new ATOM 0 HB3 HIS A 365 11.424 -6.362 -16.032 1.00 0.00 H new ATOM 0 HD2 HIS A 365 12.630 -8.573 -17.031 1.00 0.00 H new ATOM 0 HE1 HIS A 365 9.386 -10.107 -19.294 1.00 0.00 H new ATOM 0 HE2 HIS A 365 11.809 -10.476 -18.611 1.00 0.00 H new ATOM 196 N LYS A 366 8.954 -7.609 -13.281 1.00 0.00 N ATOM 197 CA LYS A 366 9.170 -8.551 -12.186 1.00 0.00 C ATOM 198 C LYS A 366 7.864 -8.841 -11.448 1.00 0.00 C ATOM 199 O LYS A 366 7.165 -7.920 -11.026 1.00 0.00 O ATOM 200 CB LYS A 366 10.198 -7.989 -11.198 1.00 0.00 C ATOM 201 CG LYS A 366 11.525 -7.610 -11.836 1.00 0.00 C ATOM 202 CD LYS A 366 12.465 -6.962 -10.832 1.00 0.00 C ATOM 203 CE LYS A 366 13.760 -6.515 -11.491 1.00 0.00 C ATOM 204 NZ LYS A 366 14.667 -5.829 -10.530 1.00 0.00 N ATOM 0 H LYS A 366 8.212 -6.929 -13.114 1.00 0.00 H new ATOM 0 HA LYS A 366 9.545 -9.481 -12.614 1.00 0.00 H new ATOM 0 HB2 LYS A 366 9.776 -7.110 -10.711 1.00 0.00 H new ATOM 0 HB3 LYS A 366 10.379 -8.729 -10.418 1.00 0.00 H new ATOM 0 HG2 LYS A 366 11.996 -8.500 -12.254 1.00 0.00 H new ATOM 0 HG3 LYS A 366 11.348 -6.924 -12.665 1.00 0.00 H new ATOM 0 HD2 LYS A 366 11.974 -6.104 -10.373 1.00 0.00 H new ATOM 0 HD3 LYS A 366 12.687 -7.668 -10.032 1.00 0.00 H new ATOM 0 HE2 LYS A 366 14.269 -7.381 -11.915 1.00 0.00 H new ATOM 0 HE3 LYS A 366 13.533 -5.842 -12.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 15.538 -5.541 -11.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 14.192 -4.988 -10.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 14.905 -6.479 -9.754 1.00 0.00 H new ATOM 218 N PRO A 367 7.521 -10.131 -11.274 1.00 0.00 N ATOM 219 CA PRO A 367 6.304 -10.538 -10.576 1.00 0.00 C ATOM 220 C PRO A 367 6.477 -10.527 -9.060 1.00 0.00 C ATOM 221 O PRO A 367 6.100 -11.477 -8.373 1.00 0.00 O ATOM 222 CB PRO A 367 6.085 -11.954 -11.080 1.00 0.00 C ATOM 223 CG PRO A 367 7.452 -12.481 -11.329 1.00 0.00 C ATOM 224 CD PRO A 367 8.299 -11.300 -11.733 1.00 0.00 C ATOM 0 HA PRO A 367 5.468 -9.865 -10.768 1.00 0.00 H new ATOM 0 HB2 PRO A 367 5.555 -12.559 -10.344 1.00 0.00 H new ATOM 0 HB3 PRO A 367 5.485 -11.962 -11.990 1.00 0.00 H new ATOM 0 HG2 PRO A 367 7.853 -12.958 -10.435 1.00 0.00 H new ATOM 0 HG3 PRO A 367 7.439 -13.236 -12.115 1.00 0.00 H new ATOM 0 HD2 PRO A 367 9.282 -11.335 -11.264 1.00 0.00 H new ATOM 0 HD3 PRO A 367 8.461 -11.274 -12.811 1.00 0.00 H new ATOM 232 N ALA A 368 7.057 -9.445 -8.545 1.00 0.00 N ATOM 233 CA ALA A 368 7.291 -9.308 -7.113 1.00 0.00 C ATOM 234 C ALA A 368 6.877 -7.924 -6.622 1.00 0.00 C ATOM 235 O ALA A 368 7.680 -7.193 -6.042 1.00 0.00 O ATOM 236 CB ALA A 368 8.754 -9.574 -6.790 1.00 0.00 C ATOM 0 H ALA A 368 7.373 -8.650 -9.101 1.00 0.00 H new ATOM 0 HA ALA A 368 6.679 -10.046 -6.595 1.00 0.00 H new ATOM 0 HB1 ALA A 368 8.915 -9.468 -5.717 1.00 0.00 H new ATOM 0 HB2 ALA A 368 9.016 -10.586 -7.098 1.00 0.00 H new ATOM 0 HB3 ALA A 368 9.380 -8.858 -7.323 1.00 0.00 H new ATOM 242 N GLU A 369 5.617 -7.575 -6.866 1.00 0.00 N ATOM 243 CA GLU A 369 5.078 -6.282 -6.457 1.00 0.00 C ATOM 244 C GLU A 369 5.389 -5.991 -4.993 1.00 0.00 C ATOM 245 O GLU A 369 5.152 -6.823 -4.117 1.00 0.00 O ATOM 246 CB GLU A 369 3.564 -6.250 -6.681 1.00 0.00 C ATOM 247 CG GLU A 369 2.906 -4.958 -6.224 1.00 0.00 C ATOM 248 CD GLU A 369 3.441 -3.741 -6.952 1.00 0.00 C ATOM 249 OE1 GLU A 369 3.291 -3.677 -8.190 1.00 0.00 O ATOM 250 OE2 GLU A 369 4.010 -2.853 -6.284 1.00 0.00 O ATOM 0 H GLU A 369 4.947 -8.174 -7.348 1.00 0.00 H new ATOM 0 HA GLU A 369 5.552 -5.512 -7.066 1.00 0.00 H new ATOM 0 HB2 GLU A 369 3.359 -6.396 -7.742 1.00 0.00 H new ATOM 0 HB3 GLU A 369 3.109 -7.086 -6.150 1.00 0.00 H new ATOM 0 HG2 GLU A 369 1.830 -5.027 -6.382 1.00 0.00 H new ATOM 0 HG3 GLU A 369 3.063 -4.834 -5.153 1.00 0.00 H new ATOM 257 N SER A 370 5.923 -4.801 -4.739 1.00 0.00 N ATOM 258 CA SER A 370 6.273 -4.388 -3.384 1.00 0.00 C ATOM 259 C SER A 370 5.026 -4.244 -2.515 1.00 0.00 C ATOM 260 O SER A 370 4.054 -3.599 -2.910 1.00 0.00 O ATOM 261 CB SER A 370 7.041 -3.066 -3.416 1.00 0.00 C ATOM 262 OG SER A 370 7.404 -2.654 -2.109 1.00 0.00 O ATOM 0 H SER A 370 6.123 -4.104 -5.456 1.00 0.00 H new ATOM 0 HA SER A 370 6.907 -5.161 -2.949 1.00 0.00 H new ATOM 0 HB2 SER A 370 7.937 -3.177 -4.027 1.00 0.00 H new ATOM 0 HB3 SER A 370 6.428 -2.297 -3.886 1.00 0.00 H new ATOM 0 HG SER A 370 7.895 -1.807 -2.157 1.00 0.00 H new ATOM 268 N GLN A 371 5.065 -4.846 -1.330 1.00 0.00 N ATOM 269 CA GLN A 371 3.940 -4.787 -0.400 1.00 0.00 C ATOM 270 C GLN A 371 3.969 -3.502 0.425 1.00 0.00 C ATOM 271 O GLN A 371 3.598 -3.500 1.599 1.00 0.00 O ATOM 272 CB GLN A 371 3.960 -6.004 0.528 1.00 0.00 C ATOM 273 CG GLN A 371 3.851 -7.331 -0.205 1.00 0.00 C ATOM 274 CD GLN A 371 3.910 -8.522 0.730 1.00 0.00 C ATOM 275 OE1 GLN A 371 4.895 -8.720 1.443 1.00 0.00 O ATOM 276 NE2 GLN A 371 2.854 -9.326 0.731 1.00 0.00 N ATOM 0 H GLN A 371 5.864 -5.381 -0.990 1.00 0.00 H new ATOM 0 HA GLN A 371 3.020 -4.794 -0.985 1.00 0.00 H new ATOM 0 HB2 GLN A 371 4.883 -5.993 1.107 1.00 0.00 H new ATOM 0 HB3 GLN A 371 3.137 -5.922 1.238 1.00 0.00 H new ATOM 0 HG2 GLN A 371 2.915 -7.358 -0.762 1.00 0.00 H new ATOM 0 HG3 GLN A 371 4.658 -7.406 -0.934 1.00 0.00 H new ATOM 0 HE21 GLN A 371 2.059 -9.125 0.124 1.00 0.00 H new ATOM 0 HE22 GLN A 371 2.837 -10.145 1.338 1.00 0.00 H new ATOM 285 N GLN A 372 4.408 -2.411 -0.194 1.00 0.00 N ATOM 286 CA GLN A 372 4.477 -1.123 0.488 1.00 0.00 C ATOM 287 C GLN A 372 3.157 -0.365 0.375 1.00 0.00 C ATOM 288 O GLN A 372 2.521 -0.355 -0.677 1.00 0.00 O ATOM 289 CB GLN A 372 5.637 -0.283 -0.062 1.00 0.00 C ATOM 290 CG GLN A 372 5.664 -0.165 -1.581 1.00 0.00 C ATOM 291 CD GLN A 372 4.551 0.704 -2.136 1.00 0.00 C ATOM 292 OE1 GLN A 372 4.423 1.873 -1.776 1.00 0.00 O ATOM 293 NE2 GLN A 372 3.740 0.133 -3.021 1.00 0.00 N ATOM 0 H GLN A 372 4.721 -2.392 -1.165 1.00 0.00 H new ATOM 0 HA GLN A 372 4.660 -1.313 1.546 1.00 0.00 H new ATOM 0 HB2 GLN A 372 5.580 0.717 0.367 1.00 0.00 H new ATOM 0 HB3 GLN A 372 6.577 -0.721 0.273 1.00 0.00 H new ATOM 0 HG2 GLN A 372 6.625 0.247 -1.889 1.00 0.00 H new ATOM 0 HG3 GLN A 372 5.589 -1.161 -2.017 1.00 0.00 H new ATOM 0 HE21 GLN A 372 3.884 -0.840 -3.291 1.00 0.00 H new ATOM 0 HE22 GLN A 372 2.974 0.668 -3.430 1.00 0.00 H new ATOM 302 N GLN A 373 2.748 0.267 1.472 1.00 0.00 N ATOM 303 CA GLN A 373 1.508 1.029 1.495 1.00 0.00 C ATOM 304 C GLN A 373 1.676 2.348 0.747 1.00 0.00 C ATOM 305 O GLN A 373 2.518 3.171 1.105 1.00 0.00 O ATOM 306 CB GLN A 373 1.077 1.291 2.940 1.00 0.00 C ATOM 307 CG GLN A 373 -0.213 2.085 3.061 1.00 0.00 C ATOM 308 CD GLN A 373 -0.638 2.319 4.502 1.00 0.00 C ATOM 309 OE1 GLN A 373 -1.660 2.956 4.760 1.00 0.00 O ATOM 310 NE2 GLN A 373 0.139 1.806 5.452 1.00 0.00 N ATOM 0 H GLN A 373 3.259 0.265 2.355 1.00 0.00 H new ATOM 0 HA GLN A 373 0.734 0.446 0.996 1.00 0.00 H new ATOM 0 HB2 GLN A 373 0.954 0.336 3.451 1.00 0.00 H new ATOM 0 HB3 GLN A 373 1.873 1.829 3.455 1.00 0.00 H new ATOM 0 HG2 GLN A 373 -0.088 3.047 2.565 1.00 0.00 H new ATOM 0 HG3 GLN A 373 -1.008 1.556 2.535 1.00 0.00 H new ATOM 0 HE21 GLN A 373 0.978 1.284 5.198 1.00 0.00 H new ATOM 0 HE22 GLN A 373 -0.104 1.934 6.434 1.00 0.00 H new ATOM 319 N ALA A 374 0.874 2.542 -0.295 1.00 0.00 N ATOM 320 CA ALA A 374 0.940 3.762 -1.092 1.00 0.00 C ATOM 321 C ALA A 374 -0.423 4.437 -1.193 1.00 0.00 C ATOM 322 O ALA A 374 -1.436 3.778 -1.425 1.00 0.00 O ATOM 323 CB ALA A 374 1.480 3.454 -2.480 1.00 0.00 C ATOM 0 H ALA A 374 0.172 1.871 -0.607 1.00 0.00 H new ATOM 0 HA ALA A 374 1.618 4.453 -0.590 1.00 0.00 H new ATOM 0 HB1 ALA A 374 1.524 4.373 -3.065 1.00 0.00 H new ATOM 0 HB2 ALA A 374 2.480 3.029 -2.395 1.00 0.00 H new ATOM 0 HB3 ALA A 374 0.823 2.739 -2.976 1.00 0.00 H new ATOM 329 N ALA A 375 -0.437 5.756 -1.024 1.00 0.00 N ATOM 330 CA ALA A 375 -1.673 6.525 -1.104 1.00 0.00 C ATOM 331 C ALA A 375 -2.305 6.392 -2.485 1.00 0.00 C ATOM 332 O ALA A 375 -1.970 7.136 -3.407 1.00 0.00 O ATOM 333 CB ALA A 375 -1.405 7.987 -0.781 1.00 0.00 C ATOM 0 H ALA A 375 0.395 6.314 -0.831 1.00 0.00 H new ATOM 0 HA ALA A 375 -2.374 6.127 -0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 375 -2.336 8.550 -0.844 1.00 0.00 H new ATOM 0 HB2 ALA A 375 -1.000 8.068 0.227 1.00 0.00 H new ATOM 0 HB3 ALA A 375 -0.687 8.392 -1.494 1.00 0.00 H new ATOM 339 N GLU A 376 -3.218 5.435 -2.620 1.00 0.00 N ATOM 340 CA GLU A 376 -3.899 5.193 -3.884 1.00 0.00 C ATOM 341 C GLU A 376 -4.871 6.326 -4.200 1.00 0.00 C ATOM 342 O GLU A 376 -4.655 7.470 -3.800 1.00 0.00 O ATOM 343 CB GLU A 376 -4.635 3.852 -3.821 1.00 0.00 C ATOM 344 CG GLU A 376 -3.755 2.698 -3.369 1.00 0.00 C ATOM 345 CD GLU A 376 -2.603 2.434 -4.320 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.867 2.137 -5.504 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.437 2.522 -3.880 1.00 0.00 O ATOM 0 H GLU A 376 -3.503 4.812 -1.864 1.00 0.00 H new ATOM 0 HA GLU A 376 -3.159 5.156 -4.683 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.481 3.942 -3.139 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -5.043 3.624 -4.806 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.359 2.915 -2.377 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.362 1.797 -3.280 1.00 0.00 H new ATOM 354 N THR A 377 -5.940 6.001 -4.918 1.00 0.00 N ATOM 355 CA THR A 377 -6.947 6.985 -5.294 1.00 0.00 C ATOM 356 C THR A 377 -8.318 6.333 -5.391 1.00 0.00 C ATOM 357 O THR A 377 -8.424 5.132 -5.634 1.00 0.00 O ATOM 358 CB THR A 377 -6.613 7.653 -6.642 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.590 6.670 -7.684 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.270 8.363 -6.579 1.00 0.00 C ATOM 0 H THR A 377 -6.132 5.057 -5.253 1.00 0.00 H new ATOM 0 HA THR A 377 -6.954 7.750 -4.518 1.00 0.00 H new ATOM 0 HB THR A 377 -7.386 8.392 -6.856 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.379 7.103 -8.537 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.058 8.826 -7.543 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.300 9.131 -5.806 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.488 7.642 -6.343 1.00 0.00 H new ATOM 368 N GLU A 378 -9.364 7.126 -5.186 1.00 0.00 N ATOM 369 CA GLU A 378 -10.731 6.617 -5.239 1.00 0.00 C ATOM 370 C GLU A 378 -10.945 5.771 -6.486 1.00 0.00 C ATOM 371 O GLU A 378 -11.594 4.727 -6.438 1.00 0.00 O ATOM 372 CB GLU A 378 -11.730 7.774 -5.216 1.00 0.00 C ATOM 373 CG GLU A 378 -13.179 7.321 -5.129 1.00 0.00 C ATOM 374 CD GLU A 378 -14.155 8.481 -5.139 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.081 9.328 -4.224 1.00 0.00 O ATOM 376 OE2 GLU A 378 -14.992 8.543 -6.064 1.00 0.00 O ATOM 0 H GLU A 378 -9.292 8.123 -4.982 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.894 5.990 -4.363 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.507 8.419 -4.366 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.599 8.375 -6.116 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.399 6.659 -5.966 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.320 6.740 -4.217 1.00 0.00 H new ATOM 383 N GLY A 379 -10.396 6.232 -7.600 1.00 0.00 N ATOM 384 CA GLY A 379 -10.536 5.513 -8.849 1.00 0.00 C ATOM 385 C GLY A 379 -9.854 4.160 -8.839 1.00 0.00 C ATOM 386 O GLY A 379 -10.385 3.193 -9.381 1.00 0.00 O ATOM 0 H GLY A 379 -9.854 7.094 -7.661 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.596 5.377 -9.066 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.121 6.116 -9.656 1.00 0.00 H new ATOM 390 N SER A 380 -8.674 4.089 -8.234 1.00 0.00 N ATOM 391 CA SER A 380 -7.931 2.836 -8.179 1.00 0.00 C ATOM 392 C SER A 380 -8.601 1.832 -7.247 1.00 0.00 C ATOM 393 O SER A 380 -8.781 0.670 -7.605 1.00 0.00 O ATOM 394 CB SER A 380 -6.491 3.084 -7.727 1.00 0.00 C ATOM 395 OG SER A 380 -6.451 3.600 -6.409 1.00 0.00 O ATOM 0 H SER A 380 -8.214 4.877 -7.778 1.00 0.00 H new ATOM 0 HA SER A 380 -7.922 2.416 -9.185 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.927 2.153 -7.773 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.008 3.783 -8.409 1.00 0.00 H new ATOM 0 HG SER A 380 -7.219 4.192 -6.266 1.00 0.00 H new ATOM 401 N CYS A 381 -8.959 2.288 -6.048 1.00 0.00 N ATOM 402 CA CYS A 381 -9.596 1.427 -5.052 1.00 0.00 C ATOM 403 C CYS A 381 -10.823 0.720 -5.621 1.00 0.00 C ATOM 404 O CYS A 381 -10.971 -0.495 -5.475 1.00 0.00 O ATOM 405 CB CYS A 381 -9.999 2.243 -3.823 1.00 0.00 C ATOM 406 SG CYS A 381 -8.610 3.087 -2.997 1.00 0.00 S ATOM 0 H CYS A 381 -8.819 3.251 -5.742 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.868 0.668 -4.764 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.736 2.988 -4.122 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.486 1.582 -3.106 1.00 0.00 H new ATOM 411 N ASN A 382 -11.701 1.484 -6.265 1.00 0.00 N ATOM 412 CA ASN A 382 -12.920 0.926 -6.848 1.00 0.00 C ATOM 413 C ASN A 382 -12.592 -0.248 -7.759 1.00 0.00 C ATOM 414 O ASN A 382 -13.349 -1.215 -7.847 1.00 0.00 O ATOM 415 CB ASN A 382 -13.668 1.994 -7.650 1.00 0.00 C ATOM 416 CG ASN A 382 -14.033 3.213 -6.823 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.645 3.216 -5.554 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.657 4.149 -7.324 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.593 2.490 -6.397 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.553 0.579 -6.031 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -13.051 2.306 -8.493 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.577 1.558 -8.065 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.937 4.109 -8.304 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.893 4.965 -6.759 1.00 0.00 H new ATOM 425 N LYS A 383 -11.464 -0.143 -8.445 1.00 0.00 N ATOM 426 CA LYS A 383 -11.025 -1.177 -9.367 1.00 0.00 C ATOM 427 C LYS A 383 -10.410 -2.365 -8.634 1.00 0.00 C ATOM 428 O LYS A 383 -10.557 -3.508 -9.066 1.00 0.00 O ATOM 429 CB LYS A 383 -10.017 -0.592 -10.357 1.00 0.00 C ATOM 430 CG LYS A 383 -10.521 0.655 -11.067 1.00 0.00 C ATOM 431 CD LYS A 383 -11.787 0.377 -11.860 1.00 0.00 C ATOM 432 CE LYS A 383 -12.246 1.606 -12.627 1.00 0.00 C ATOM 433 NZ LYS A 383 -12.506 2.759 -11.724 1.00 0.00 N ATOM 0 H LYS A 383 -10.832 0.655 -8.379 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.900 -1.540 -9.905 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.096 -0.352 -9.826 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.768 -1.349 -11.101 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.715 1.438 -10.334 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.747 1.030 -11.737 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.608 -0.442 -12.557 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.578 0.053 -11.183 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.486 1.882 -13.358 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -13.153 1.369 -13.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -12.929 3.538 -12.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -13.160 2.469 -10.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -11.611 3.078 -11.302 1.00 0.00 H new ATOM 447 N LYS A 384 -9.704 -2.095 -7.537 1.00 0.00 N ATOM 448 CA LYS A 384 -9.058 -3.148 -6.779 1.00 0.00 C ATOM 449 C LYS A 384 -10.060 -4.111 -6.180 1.00 0.00 C ATOM 450 O LYS A 384 -11.190 -3.750 -5.850 1.00 0.00 O ATOM 451 CB LYS A 384 -8.192 -2.553 -5.687 1.00 0.00 C ATOM 452 CG LYS A 384 -7.317 -1.438 -6.201 1.00 0.00 C ATOM 453 CD LYS A 384 -6.430 -1.857 -7.353 1.00 0.00 C ATOM 454 CE LYS A 384 -5.666 -3.085 -6.984 1.00 0.00 C ATOM 455 NZ LYS A 384 -4.376 -3.199 -7.718 1.00 0.00 N ATOM 0 H LYS A 384 -9.569 -1.157 -7.160 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.432 -3.711 -7.471 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.828 -2.175 -4.887 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.567 -3.334 -5.255 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -7.948 -0.608 -6.520 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.693 -1.070 -5.386 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.035 -2.047 -8.239 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -5.741 -1.051 -7.605 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.470 -3.078 -5.912 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -6.276 -3.964 -7.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -3.886 -4.068 -7.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -4.560 -3.233 -8.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -3.779 -2.375 -7.501 1.00 0.00 H new ATOM 469 N ASP A 385 -9.611 -5.338 -6.042 1.00 0.00 N ATOM 470 CA ASP A 385 -10.428 -6.407 -5.474 1.00 0.00 C ATOM 471 C ASP A 385 -10.380 -6.359 -3.956 1.00 0.00 C ATOM 472 O ASP A 385 -9.730 -5.498 -3.374 1.00 0.00 O ATOM 473 CB ASP A 385 -9.948 -7.774 -5.968 1.00 0.00 C ATOM 474 CG ASP A 385 -10.815 -8.925 -5.494 1.00 0.00 C ATOM 475 OD1 ASP A 385 -12.020 -8.935 -5.822 1.00 0.00 O ATOM 476 OD2 ASP A 385 -10.289 -9.816 -4.796 1.00 0.00 O ATOM 0 H ASP A 385 -8.673 -5.631 -6.317 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.457 -6.260 -5.801 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.926 -7.771 -7.058 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -8.925 -7.936 -5.629 1.00 0.00 H new ATOM 481 N GLN A 386 -11.067 -7.299 -3.329 1.00 0.00 N ATOM 482 CA GLN A 386 -11.110 -7.376 -1.870 1.00 0.00 C ATOM 483 C GLN A 386 -9.706 -7.354 -1.282 1.00 0.00 C ATOM 484 O GLN A 386 -9.371 -6.481 -0.479 1.00 0.00 O ATOM 485 CB GLN A 386 -11.842 -8.646 -1.429 1.00 0.00 C ATOM 486 CG GLN A 386 -11.918 -8.816 0.082 1.00 0.00 C ATOM 487 CD GLN A 386 -12.652 -10.079 0.504 1.00 0.00 C ATOM 488 OE1 GLN A 386 -13.137 -10.848 -0.467 1.00 0.00 O flip ATOM 489 NE2 GLN A 386 -12.782 -10.361 1.695 1.00 0.00 N flip ATOM 0 H GLN A 386 -11.605 -8.023 -3.805 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.651 -6.505 -1.500 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.853 -8.631 -1.835 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.339 -9.512 -1.858 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.908 -8.836 0.491 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.419 -7.950 0.514 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -12.395 -9.745 2.410 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.276 -11.211 1.967 1.00 0.00 H new ATOM 498 N ASN A 387 -8.885 -8.309 -1.694 1.00 0.00 N ATOM 499 CA ASN A 387 -7.517 -8.397 -1.222 1.00 0.00 C ATOM 500 C ASN A 387 -6.693 -7.225 -1.741 1.00 0.00 C ATOM 501 O ASN A 387 -5.717 -6.809 -1.117 1.00 0.00 O ATOM 502 CB ASN A 387 -6.903 -9.718 -1.674 1.00 0.00 C ATOM 503 CG ASN A 387 -7.020 -9.935 -3.169 1.00 0.00 C ATOM 504 OD1 ASN A 387 -6.474 -9.170 -3.964 1.00 0.00 O ATOM 505 ND2 ASN A 387 -7.735 -10.982 -3.561 1.00 0.00 N ATOM 0 H ASN A 387 -9.148 -9.037 -2.359 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.517 -8.356 -0.133 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -5.851 -9.742 -1.389 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.394 -10.540 -1.152 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -7.849 -11.178 -4.555 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -8.171 -11.590 -2.868 1.00 0.00 H new ATOM 512 N GLU A 388 -7.097 -6.700 -2.892 1.00 0.00 N ATOM 513 CA GLU A 388 -6.407 -5.579 -3.514 1.00 0.00 C ATOM 514 C GLU A 388 -6.783 -4.263 -2.850 1.00 0.00 C ATOM 515 O GLU A 388 -6.060 -3.275 -2.974 1.00 0.00 O ATOM 516 CB GLU A 388 -6.712 -5.533 -5.008 1.00 0.00 C ATOM 517 CG GLU A 388 -6.210 -6.750 -5.768 1.00 0.00 C ATOM 518 CD GLU A 388 -6.456 -6.651 -7.262 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.632 -6.553 -7.666 1.00 0.00 O ATOM 520 OE2 GLU A 388 -5.469 -6.672 -8.028 1.00 0.00 O ATOM 0 H GLU A 388 -7.905 -7.037 -3.416 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.335 -5.725 -3.379 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.789 -5.446 -5.148 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.262 -4.637 -5.435 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.142 -6.871 -5.587 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.702 -7.643 -5.381 1.00 0.00 H new ATOM 527 N CYS A 389 -7.907 -4.254 -2.136 1.00 0.00 N ATOM 528 CA CYS A 389 -8.345 -3.050 -1.447 1.00 0.00 C ATOM 529 C CYS A 389 -7.221 -2.594 -0.529 1.00 0.00 C ATOM 530 O CYS A 389 -7.002 -3.163 0.541 1.00 0.00 O ATOM 531 CB CYS A 389 -9.632 -3.323 -0.661 1.00 0.00 C ATOM 532 SG CYS A 389 -10.485 -1.823 -0.071 1.00 0.00 S ATOM 0 H CYS A 389 -8.523 -5.059 -2.022 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.569 -2.261 -2.165 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.316 -3.891 -1.292 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.393 -3.952 0.197 1.00 0.00 H new ATOM 537 N LYS A 390 -6.475 -1.599 -0.990 1.00 0.00 N ATOM 538 CA LYS A 390 -5.320 -1.094 -0.256 1.00 0.00 C ATOM 539 C LYS A 390 -5.712 -0.348 1.016 1.00 0.00 C ATOM 540 O LYS A 390 -6.862 0.049 1.194 1.00 0.00 O ATOM 541 CB LYS A 390 -4.483 -0.211 -1.172 1.00 0.00 C ATOM 542 CG LYS A 390 -3.888 -0.974 -2.352 1.00 0.00 C ATOM 543 CD LYS A 390 -2.760 -1.897 -1.916 1.00 0.00 C ATOM 544 CE LYS A 390 -1.581 -1.118 -1.354 1.00 0.00 C ATOM 545 NZ LYS A 390 -0.466 -2.016 -0.946 1.00 0.00 N ATOM 0 H LYS A 390 -6.650 -1.122 -1.875 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.728 -1.951 0.065 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.102 0.604 -1.548 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.677 0.241 -0.595 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.669 -1.559 -2.838 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.513 -0.266 -3.091 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -3.129 -2.592 -1.162 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -2.430 -2.494 -2.766 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.223 -0.412 -2.103 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -1.909 -0.533 -0.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 0.411 -1.464 -0.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -0.690 -2.454 -0.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -0.338 -2.759 -1.663 1.00 0.00 H new ATOM 559 N SER A 391 -4.734 -0.191 1.910 1.00 0.00 N ATOM 560 CA SER A 391 -4.940 0.472 3.186 1.00 0.00 C ATOM 561 C SER A 391 -5.610 1.836 3.021 1.00 0.00 C ATOM 562 O SER A 391 -6.656 2.078 3.619 1.00 0.00 O ATOM 563 CB SER A 391 -3.605 0.613 3.916 1.00 0.00 C ATOM 564 OG SER A 391 -3.008 -0.652 4.141 1.00 0.00 O ATOM 0 H SER A 391 -3.780 -0.522 1.764 1.00 0.00 H new ATOM 0 HA SER A 391 -5.614 -0.145 3.780 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.931 1.237 3.329 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.760 1.119 4.869 1.00 0.00 H new ATOM 0 HG SER A 391 -2.155 -0.533 4.608 1.00 0.00 H new ATOM 570 N PRO A 392 -5.038 2.750 2.203 1.00 0.00 N ATOM 571 CA PRO A 392 -5.619 4.070 1.978 1.00 0.00 C ATOM 572 C PRO A 392 -7.104 3.973 1.672 1.00 0.00 C ATOM 573 O PRO A 392 -7.897 4.823 2.080 1.00 0.00 O ATOM 574 CB PRO A 392 -4.865 4.596 0.748 1.00 0.00 C ATOM 575 CG PRO A 392 -4.062 3.450 0.238 1.00 0.00 C ATOM 576 CD PRO A 392 -3.803 2.591 1.428 1.00 0.00 C ATOM 0 HA PRO A 392 -5.528 4.715 2.852 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.560 4.954 -0.012 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.222 5.435 1.014 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.604 2.902 -0.532 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.129 3.792 -0.211 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.629 1.552 1.149 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.927 2.922 1.986 1.00 0.00 H new ATOM 584 N CYS A 393 -7.464 2.924 0.945 1.00 0.00 N ATOM 585 CA CYS A 393 -8.844 2.688 0.566 1.00 0.00 C ATOM 586 C CYS A 393 -9.700 2.384 1.793 1.00 0.00 C ATOM 587 O CYS A 393 -9.336 2.713 2.921 1.00 0.00 O ATOM 588 CB CYS A 393 -8.917 1.514 -0.417 1.00 0.00 C ATOM 589 SG CYS A 393 -7.782 1.646 -1.837 1.00 0.00 S ATOM 0 H CYS A 393 -6.810 2.219 0.605 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.230 3.589 0.090 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.699 0.592 0.121 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.938 1.432 -0.790 1.00 0.00 H new ATOM 594 N LYS A 394 -10.831 1.737 1.557 1.00 0.00 N ATOM 595 CA LYS A 394 -11.749 1.359 2.624 1.00 0.00 C ATOM 596 C LYS A 394 -12.683 0.260 2.141 1.00 0.00 C ATOM 597 O LYS A 394 -13.504 0.474 1.249 1.00 0.00 O ATOM 598 CB LYS A 394 -12.559 2.567 3.097 1.00 0.00 C ATOM 599 CG LYS A 394 -13.518 2.249 4.233 1.00 0.00 C ATOM 600 CD LYS A 394 -14.352 3.460 4.624 1.00 0.00 C ATOM 601 CE LYS A 394 -13.488 4.596 5.149 1.00 0.00 C ATOM 602 NZ LYS A 394 -14.303 5.781 5.535 1.00 0.00 N ATOM 0 H LYS A 394 -11.139 1.459 0.625 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.165 0.988 3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -11.873 3.350 3.420 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.125 2.966 2.256 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.178 1.434 3.934 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -12.954 1.901 5.098 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -14.920 3.805 3.760 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -15.076 3.172 5.386 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -12.919 4.250 6.012 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -12.766 4.885 4.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -13.722 6.641 5.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -15.122 5.861 4.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -14.635 5.670 6.514 1.00 0.00 H new ATOM 616 N TRP A 395 -12.542 -0.921 2.730 1.00 0.00 N ATOM 617 CA TRP A 395 -13.360 -2.061 2.352 1.00 0.00 C ATOM 618 C TRP A 395 -14.773 -1.942 2.908 1.00 0.00 C ATOM 619 O TRP A 395 -14.964 -1.745 4.108 1.00 0.00 O ATOM 620 CB TRP A 395 -12.717 -3.359 2.846 1.00 0.00 C ATOM 621 CG TRP A 395 -13.406 -4.593 2.351 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.902 -5.615 3.108 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.665 -4.942 0.986 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.463 -6.573 2.298 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.329 -6.183 0.991 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.404 -4.322 -0.240 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.730 -6.816 -0.182 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.803 -4.952 -1.403 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.461 -6.187 -1.367 1.00 0.00 C ATOM 0 H TRP A 395 -11.868 -1.112 3.471 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.424 -2.078 1.264 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.675 -3.382 2.529 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.719 -3.364 3.936 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.860 -5.664 4.186 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.907 -7.434 2.617 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.900 -3.368 -0.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.236 -7.770 -0.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.604 -4.484 -2.356 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.763 -6.653 -2.294 1.00 0.00 H new ATOM 640 N HIS A 396 -15.764 -2.078 2.030 1.00 0.00 N ATOM 641 CA HIS A 396 -17.160 -2.003 2.440 1.00 0.00 C ATOM 642 C HIS A 396 -17.825 -3.368 2.328 1.00 0.00 C ATOM 643 O HIS A 396 -18.027 -3.887 1.227 1.00 0.00 O ATOM 644 CB HIS A 396 -17.918 -0.982 1.590 1.00 0.00 C ATOM 645 CG HIS A 396 -17.460 0.427 1.797 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.543 1.074 3.012 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.911 1.318 0.937 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.068 2.300 2.891 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.677 2.473 1.642 1.00 0.00 N ATOM 0 H HIS A 396 -15.625 -2.240 1.033 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.190 -1.682 3.481 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.804 -1.241 0.538 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.981 -1.047 1.821 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.697 1.151 -0.108 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.009 3.036 3.679 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.267 3.326 1.262 1.00 0.00 H new ATOM 658 N ASN A 397 -18.161 -3.943 3.479 1.00 0.00 N ATOM 659 CA ASN A 397 -18.805 -5.249 3.533 1.00 0.00 C ATOM 660 C ASN A 397 -20.307 -5.128 3.303 1.00 0.00 C ATOM 661 O ASN A 397 -20.938 -4.170 3.752 1.00 0.00 O ATOM 662 CB ASN A 397 -18.532 -5.919 4.879 1.00 0.00 C ATOM 663 CG ASN A 397 -19.033 -5.094 6.050 1.00 0.00 C ATOM 664 OD1 ASN A 397 -18.609 -3.956 6.247 1.00 0.00 O ATOM 665 ND2 ASN A 397 -19.936 -5.668 6.835 1.00 0.00 N ATOM 0 H ASN A 397 -17.996 -3.520 4.392 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.386 -5.866 2.738 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -19.010 -6.898 4.898 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.460 -6.085 4.988 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -20.307 -5.163 7.640 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -20.259 -6.614 6.633 1.00 0.00 H new ATOM 672 N ASP A 398 -20.869 -6.107 2.602 1.00 0.00 N ATOM 673 CA ASP A 398 -22.297 -6.125 2.305 1.00 0.00 C ATOM 674 C ASP A 398 -22.704 -4.903 1.486 1.00 0.00 C ATOM 675 O ASP A 398 -23.805 -4.375 1.646 1.00 0.00 O ATOM 676 CB ASP A 398 -23.112 -6.187 3.598 1.00 0.00 C ATOM 677 CG ASP A 398 -22.810 -7.430 4.414 1.00 0.00 C ATOM 678 OD1 ASP A 398 -23.014 -8.546 3.891 1.00 0.00 O ATOM 679 OD2 ASP A 398 -22.370 -7.288 5.574 1.00 0.00 O ATOM 0 H ASP A 398 -20.354 -6.903 2.227 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.504 -7.017 1.714 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.903 -5.302 4.199 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -24.175 -6.164 3.356 1.00 0.00 H new ATOM 684 N ALA A 399 -21.815 -4.470 0.598 1.00 0.00 N ATOM 685 CA ALA A 399 -22.087 -3.322 -0.261 1.00 0.00 C ATOM 686 C ALA A 399 -22.908 -3.749 -1.471 1.00 0.00 C ATOM 687 O ALA A 399 -22.703 -3.254 -2.581 1.00 0.00 O ATOM 688 CB ALA A 399 -20.785 -2.682 -0.710 1.00 0.00 C ATOM 0 H ALA A 399 -20.900 -4.897 0.454 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.660 -2.590 0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.002 -1.827 -1.350 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.223 -2.349 0.163 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.194 -3.410 -1.265 1.00 0.00 H new ATOM 694 N GLU A 400 -23.817 -4.696 -1.239 1.00 0.00 N ATOM 695 CA GLU A 400 -24.676 -5.249 -2.283 1.00 0.00 C ATOM 696 C GLU A 400 -23.886 -6.234 -3.135 1.00 0.00 C ATOM 697 O GLU A 400 -24.436 -7.199 -3.666 1.00 0.00 O ATOM 698 CB GLU A 400 -25.274 -4.144 -3.158 1.00 0.00 C ATOM 699 CG GLU A 400 -26.128 -3.147 -2.388 1.00 0.00 C ATOM 700 CD GLU A 400 -27.367 -3.779 -1.780 1.00 0.00 C ATOM 701 OE1 GLU A 400 -27.222 -4.681 -0.928 1.00 0.00 O ATOM 702 OE2 GLU A 400 -28.486 -3.370 -2.157 1.00 0.00 O ATOM 0 H GLU A 400 -23.978 -5.102 -0.317 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.503 -5.773 -1.803 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -24.465 -3.608 -3.654 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.881 -4.601 -3.940 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -25.529 -2.698 -1.596 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -26.428 -2.340 -3.057 1.00 0.00 H new ATOM 709 N ASN A 401 -22.588 -5.976 -3.247 1.00 0.00 N ATOM 710 CA ASN A 401 -21.680 -6.811 -4.018 1.00 0.00 C ATOM 711 C ASN A 401 -20.242 -6.522 -3.608 1.00 0.00 C ATOM 712 O ASN A 401 -19.305 -6.780 -4.367 1.00 0.00 O ATOM 713 CB ASN A 401 -21.851 -6.519 -5.505 1.00 0.00 C ATOM 714 CG ASN A 401 -23.185 -6.983 -6.050 1.00 0.00 C ATOM 715 OD1 ASN A 401 -23.442 -8.180 -6.165 1.00 0.00 O ATOM 716 ND2 ASN A 401 -24.048 -6.028 -6.365 1.00 0.00 N ATOM 0 H ASN A 401 -22.136 -5.177 -2.803 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.908 -7.859 -3.825 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.749 -5.447 -5.673 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -21.049 -7.006 -6.060 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -24.972 -6.273 -6.720 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -23.788 -5.048 -6.252 1.00 0.00 H new ATOM 723 N LYS A 402 -20.085 -5.965 -2.407 1.00 0.00 N ATOM 724 CA LYS A 402 -18.768 -5.608 -1.878 1.00 0.00 C ATOM 725 C LYS A 402 -18.152 -4.484 -2.707 1.00 0.00 C ATOM 726 O LYS A 402 -18.132 -4.553 -3.937 1.00 0.00 O ATOM 727 CB LYS A 402 -17.838 -6.825 -1.865 1.00 0.00 C ATOM 728 CG LYS A 402 -18.301 -7.944 -0.946 1.00 0.00 C ATOM 729 CD LYS A 402 -18.321 -7.500 0.509 1.00 0.00 C ATOM 730 CE LYS A 402 -18.765 -8.625 1.430 1.00 0.00 C ATOM 731 NZ LYS A 402 -20.137 -9.103 1.103 1.00 0.00 N ATOM 0 H LYS A 402 -20.859 -5.750 -1.778 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.895 -5.262 -0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.750 -7.214 -2.879 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.842 -6.506 -1.559 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -19.298 -8.269 -1.242 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -17.640 -8.803 -1.056 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -17.327 -7.161 0.800 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.994 -6.650 0.622 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.063 -9.456 1.353 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -18.738 -8.280 2.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -20.541 -9.591 1.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -20.737 -8.291 0.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -20.093 -9.762 0.299 1.00 0.00 H new ATOM 745 N LYS A 403 -17.661 -3.440 -2.039 1.00 0.00 N ATOM 746 CA LYS A 403 -17.068 -2.310 -2.752 1.00 0.00 C ATOM 747 C LYS A 403 -15.928 -1.666 -1.967 1.00 0.00 C ATOM 748 O LYS A 403 -16.057 -1.386 -0.776 1.00 0.00 O ATOM 749 CB LYS A 403 -18.133 -1.249 -3.047 1.00 0.00 C ATOM 750 CG LYS A 403 -19.347 -1.780 -3.792 1.00 0.00 C ATOM 751 CD LYS A 403 -20.303 -0.661 -4.183 1.00 0.00 C ATOM 752 CE LYS A 403 -20.825 0.086 -2.965 1.00 0.00 C ATOM 753 NZ LYS A 403 -21.775 1.170 -3.343 1.00 0.00 N ATOM 0 H LYS A 403 -17.661 -3.353 -1.023 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.661 -2.703 -3.683 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.462 -0.808 -2.106 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.681 -0.449 -3.634 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.021 -2.310 -4.687 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.870 -2.503 -3.166 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -19.793 0.037 -4.847 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -21.142 -1.077 -4.741 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -21.322 -0.615 -2.295 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -19.987 0.513 -2.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -22.108 1.655 -2.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -21.294 1.853 -3.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -22.588 0.760 -3.846 1.00 0.00 H new ATOM 767 N CYS A 404 -14.821 -1.409 -2.662 1.00 0.00 N ATOM 768 CA CYS A 404 -13.658 -0.764 -2.059 1.00 0.00 C ATOM 769 C CYS A 404 -13.586 0.690 -2.517 1.00 0.00 C ATOM 770 O CYS A 404 -13.706 0.974 -3.710 1.00 0.00 O ATOM 771 CB CYS A 404 -12.373 -1.507 -2.445 1.00 0.00 C ATOM 772 SG CYS A 404 -10.848 -0.769 -1.773 1.00 0.00 S ATOM 0 H CYS A 404 -14.706 -1.640 -3.649 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.758 -0.794 -0.974 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.446 -2.538 -2.100 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.299 -1.539 -3.532 1.00 0.00 H new ATOM 777 N THR A 405 -13.408 1.612 -1.576 1.00 0.00 N ATOM 778 CA THR A 405 -13.347 3.032 -1.910 1.00 0.00 C ATOM 779 C THR A 405 -12.246 3.752 -1.137 1.00 0.00 C ATOM 780 O THR A 405 -12.047 3.513 0.053 1.00 0.00 O ATOM 781 CB THR A 405 -14.691 3.728 -1.625 1.00 0.00 C ATOM 782 OG1 THR A 405 -14.995 3.651 -0.229 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.811 3.083 -2.427 1.00 0.00 C ATOM 0 H THR A 405 -13.304 1.404 -0.583 1.00 0.00 H new ATOM 0 HA THR A 405 -13.124 3.088 -2.975 1.00 0.00 H new ATOM 0 HB THR A 405 -14.605 4.773 -1.921 1.00 0.00 H new ATOM 0 HG1 THR A 405 -14.168 3.519 0.279 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.752 3.590 -2.211 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.591 3.165 -3.491 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.895 2.031 -2.154 1.00 0.00 H new ATOM 791 N LEU A 406 -11.538 4.639 -1.832 1.00 0.00 N ATOM 792 CA LEU A 406 -10.456 5.407 -1.232 1.00 0.00 C ATOM 793 C LEU A 406 -11.002 6.421 -0.239 1.00 0.00 C ATOM 794 O LEU A 406 -12.052 7.024 -0.460 1.00 0.00 O ATOM 795 CB LEU A 406 -9.644 6.110 -2.319 1.00 0.00 C ATOM 796 CG LEU A 406 -8.320 6.740 -1.873 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.557 8.048 -1.138 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.532 5.772 -1.006 1.00 0.00 C ATOM 0 H LEU A 406 -11.698 4.843 -2.819 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.803 4.721 -0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.432 5.389 -3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.264 6.891 -2.759 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.734 6.959 -2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.600 8.473 -0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.071 8.748 -1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.170 7.864 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.595 6.238 -0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.117 5.517 -0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.318 4.866 -1.574 1.00 0.00 H new ATOM 810 N ASP A 407 -10.274 6.604 0.850 1.00 0.00 N ATOM 811 CA ASP A 407 -10.668 7.549 1.884 1.00 0.00 C ATOM 812 C ASP A 407 -9.746 8.764 1.865 1.00 0.00 C ATOM 813 O ASP A 407 -8.524 8.626 1.899 1.00 0.00 O ATOM 814 CB ASP A 407 -10.641 6.867 3.252 1.00 0.00 C ATOM 815 CG ASP A 407 -11.172 7.756 4.359 1.00 0.00 C ATOM 816 OD1 ASP A 407 -10.641 8.871 4.535 1.00 0.00 O ATOM 817 OD2 ASP A 407 -12.122 7.336 5.052 1.00 0.00 O ATOM 0 H ASP A 407 -9.403 6.109 1.042 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.685 7.889 1.688 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.234 5.953 3.210 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -9.618 6.573 3.487 1.00 0.00 H new ATOM 822 N LYS A 408 -10.338 9.952 1.791 1.00 0.00 N ATOM 823 CA LYS A 408 -9.570 11.194 1.746 1.00 0.00 C ATOM 824 C LYS A 408 -8.816 11.440 3.050 1.00 0.00 C ATOM 825 O LYS A 408 -7.633 11.777 3.036 1.00 0.00 O ATOM 826 CB LYS A 408 -10.501 12.374 1.454 1.00 0.00 C ATOM 827 CG LYS A 408 -11.307 12.215 0.173 1.00 0.00 C ATOM 828 CD LYS A 408 -10.405 12.110 -1.049 1.00 0.00 C ATOM 829 CE LYS A 408 -11.215 11.930 -2.322 1.00 0.00 C ATOM 830 NZ LYS A 408 -12.044 10.694 -2.283 1.00 0.00 N ATOM 0 H LYS A 408 -11.349 10.082 1.761 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.834 11.100 0.947 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.187 12.500 2.291 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.908 13.286 1.389 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.930 11.324 0.243 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.979 13.065 0.058 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -9.793 13.008 -1.129 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -9.722 11.269 -0.928 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -11.861 12.796 -2.467 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -10.541 11.888 -3.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -12.434 10.507 -3.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -11.455 9.890 -1.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -12.824 10.820 -1.606 1.00 0.00 H new ATOM 844 N GLU A 409 -9.511 11.283 4.170 1.00 0.00 N ATOM 845 CA GLU A 409 -8.912 11.501 5.484 1.00 0.00 C ATOM 846 C GLU A 409 -7.773 10.520 5.759 1.00 0.00 C ATOM 847 O GLU A 409 -6.726 10.901 6.283 1.00 0.00 O ATOM 848 CB GLU A 409 -9.974 11.382 6.581 1.00 0.00 C ATOM 849 CG GLU A 409 -11.052 12.457 6.516 1.00 0.00 C ATOM 850 CD GLU A 409 -11.887 12.380 5.253 1.00 0.00 C ATOM 851 OE1 GLU A 409 -12.533 11.335 5.030 1.00 0.00 O ATOM 852 OE2 GLU A 409 -11.895 13.367 4.486 1.00 0.00 O ATOM 0 H GLU A 409 -10.492 11.005 4.196 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.497 12.509 5.488 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.447 10.402 6.511 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -9.485 11.430 7.554 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -11.705 12.362 7.384 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -10.583 13.439 6.576 1.00 0.00 H new ATOM 859 N GLU A 410 -7.984 9.255 5.416 1.00 0.00 N ATOM 860 CA GLU A 410 -6.977 8.228 5.641 1.00 0.00 C ATOM 861 C GLU A 410 -5.794 8.397 4.695 1.00 0.00 C ATOM 862 O GLU A 410 -4.641 8.321 5.116 1.00 0.00 O ATOM 863 CB GLU A 410 -7.594 6.839 5.475 1.00 0.00 C ATOM 864 CG GLU A 410 -6.620 5.703 5.736 1.00 0.00 C ATOM 865 CD GLU A 410 -7.298 4.348 5.734 1.00 0.00 C ATOM 866 OE1 GLU A 410 -7.946 4.012 4.722 1.00 0.00 O ATOM 867 OE2 GLU A 410 -7.184 3.625 6.746 1.00 0.00 O ATOM 0 H GLU A 410 -8.843 8.917 4.982 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.609 8.334 6.661 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.440 6.744 6.155 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.986 6.744 4.462 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -5.839 5.716 4.976 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -6.132 5.860 6.698 1.00 0.00 H new ATOM 874 N ALA A 411 -6.084 8.621 3.417 1.00 0.00 N ATOM 875 CA ALA A 411 -5.038 8.795 2.415 1.00 0.00 C ATOM 876 C ALA A 411 -4.113 9.957 2.764 1.00 0.00 C ATOM 877 O ALA A 411 -2.891 9.834 2.675 1.00 0.00 O ATOM 878 CB ALA A 411 -5.653 9.009 1.041 1.00 0.00 C ATOM 0 H ALA A 411 -7.034 8.686 3.051 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.439 7.884 2.401 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.861 9.137 0.304 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.259 8.143 0.775 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.281 9.900 1.058 1.00 0.00 H new ATOM 884 N LYS A 412 -4.697 11.085 3.153 1.00 0.00 N ATOM 885 CA LYS A 412 -3.915 12.264 3.505 1.00 0.00 C ATOM 886 C LYS A 412 -3.041 12.002 4.730 1.00 0.00 C ATOM 887 O LYS A 412 -1.901 12.459 4.793 1.00 0.00 O ATOM 888 CB LYS A 412 -4.827 13.468 3.754 1.00 0.00 C ATOM 889 CG LYS A 412 -5.774 13.287 4.930 1.00 0.00 C ATOM 890 CD LYS A 412 -6.634 14.520 5.157 1.00 0.00 C ATOM 891 CE LYS A 412 -5.798 15.725 5.557 1.00 0.00 C ATOM 892 NZ LYS A 412 -6.639 16.931 5.788 1.00 0.00 N ATOM 0 H LYS A 412 -5.706 11.208 3.232 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.262 12.490 2.662 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.210 14.349 3.929 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.412 13.661 2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.416 12.424 4.751 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.198 13.074 5.831 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.189 14.749 4.247 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.369 14.313 5.935 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -5.238 15.494 6.463 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.068 15.936 4.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -6.032 17.731 6.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -7.154 17.167 4.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -7.319 16.739 6.551 1.00 0.00 H new ATOM 906 N LYS A 413 -3.577 11.268 5.703 1.00 0.00 N ATOM 907 CA LYS A 413 -2.841 10.954 6.915 1.00 0.00 C ATOM 908 C LYS A 413 -1.675 10.011 6.624 1.00 0.00 C ATOM 909 O LYS A 413 -0.566 10.210 7.121 1.00 0.00 O ATOM 910 CB LYS A 413 -3.784 10.336 7.948 1.00 0.00 C ATOM 911 CG LYS A 413 -3.062 9.740 9.138 1.00 0.00 C ATOM 912 CD LYS A 413 -4.034 9.159 10.155 1.00 0.00 C ATOM 913 CE LYS A 413 -3.302 8.571 11.351 1.00 0.00 C ATOM 914 NZ LYS A 413 -2.393 7.460 10.955 1.00 0.00 N ATOM 0 H LYS A 413 -4.520 10.881 5.671 1.00 0.00 H new ATOM 0 HA LYS A 413 -2.427 11.879 7.316 1.00 0.00 H new ATOM 0 HB2 LYS A 413 -4.478 11.100 8.298 1.00 0.00 H new ATOM 0 HB3 LYS A 413 -4.380 9.560 7.467 1.00 0.00 H new ATOM 0 HG2 LYS A 413 -2.382 8.959 8.797 1.00 0.00 H new ATOM 0 HG3 LYS A 413 -2.452 10.507 9.615 1.00 0.00 H new ATOM 0 HD2 LYS A 413 -4.718 9.938 10.492 1.00 0.00 H new ATOM 0 HD3 LYS A 413 -4.639 8.386 9.681 1.00 0.00 H new ATOM 0 HE2 LYS A 413 -2.725 9.354 11.844 1.00 0.00 H new ATOM 0 HE3 LYS A 413 -4.028 8.205 12.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 -2.084 6.945 11.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 -2.897 6.809 10.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 -1.562 7.849 10.465 1.00 0.00 H new ATOM 928 N VAL A 414 -1.931 8.985 5.818 1.00 0.00 N ATOM 929 CA VAL A 414 -0.902 8.012 5.464 1.00 0.00 C ATOM 930 C VAL A 414 0.222 8.662 4.664 1.00 0.00 C ATOM 931 O VAL A 414 1.396 8.372 4.880 1.00 0.00 O ATOM 932 CB VAL A 414 -1.486 6.840 4.653 1.00 0.00 C ATOM 933 CG1 VAL A 414 -0.392 5.855 4.270 1.00 0.00 C ATOM 934 CG2 VAL A 414 -2.584 6.144 5.442 1.00 0.00 C ATOM 0 H VAL A 414 -2.843 8.806 5.397 1.00 0.00 H new ATOM 0 HA VAL A 414 -0.500 7.627 6.401 1.00 0.00 H new ATOM 0 HB VAL A 414 -1.921 7.238 3.736 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -0.825 5.035 3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 414 0.359 6.363 3.665 1.00 0.00 H new ATOM 0 HG13 VAL A 414 0.075 5.461 5.173 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -2.986 5.318 4.855 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -2.173 5.759 6.376 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -3.381 6.855 5.662 1.00 0.00 H new ATOM 944 N ALA A 415 -0.144 9.535 3.736 1.00 0.00 N ATOM 945 CA ALA A 415 0.839 10.220 2.903 1.00 0.00 C ATOM 946 C ALA A 415 1.596 11.282 3.696 1.00 0.00 C ATOM 947 O ALA A 415 2.802 11.459 3.524 1.00 0.00 O ATOM 948 CB ALA A 415 0.162 10.846 1.694 1.00 0.00 C ATOM 0 H ALA A 415 -1.113 9.787 3.540 1.00 0.00 H new ATOM 0 HA ALA A 415 1.562 9.480 2.560 1.00 0.00 H new ATOM 0 HB1 ALA A 415 0.907 11.354 1.082 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -0.323 10.068 1.105 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -0.585 11.566 2.028 1.00 0.00 H new ATOM 954 N ASP A 416 0.872 11.995 4.554 1.00 0.00 N ATOM 955 CA ASP A 416 1.463 13.054 5.368 1.00 0.00 C ATOM 956 C ASP A 416 1.844 12.552 6.758 1.00 0.00 C ATOM 957 O ASP A 416 1.725 13.280 7.744 1.00 0.00 O ATOM 958 CB ASP A 416 0.491 14.227 5.491 1.00 0.00 C ATOM 959 CG ASP A 416 0.147 14.837 4.147 1.00 0.00 C ATOM 960 OD1 ASP A 416 1.074 15.310 3.456 1.00 0.00 O ATOM 961 OD2 ASP A 416 -1.048 14.844 3.786 1.00 0.00 O ATOM 0 H ASP A 416 -0.128 11.858 4.704 1.00 0.00 H new ATOM 0 HA ASP A 416 2.374 13.384 4.868 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.424 13.888 5.977 1.00 0.00 H new ATOM 0 HB3 ASP A 416 0.929 14.992 6.133 1.00 0.00 H new ATOM 966 N GLU A 417 2.318 11.316 6.827 1.00 0.00 N ATOM 967 CA GLU A 417 2.735 10.729 8.096 1.00 0.00 C ATOM 968 C GLU A 417 4.233 10.918 8.276 1.00 0.00 C ATOM 969 O GLU A 417 4.744 10.956 9.395 1.00 0.00 O ATOM 970 CB GLU A 417 2.386 9.240 8.152 1.00 0.00 C ATOM 971 CG GLU A 417 3.157 8.397 7.152 1.00 0.00 C ATOM 972 CD GLU A 417 2.806 6.924 7.240 1.00 0.00 C ATOM 973 OE1 GLU A 417 1.620 6.583 7.043 1.00 0.00 O ATOM 974 OE2 GLU A 417 3.718 6.112 7.503 1.00 0.00 O ATOM 0 H GLU A 417 2.424 10.700 6.021 1.00 0.00 H new ATOM 0 HA GLU A 417 2.203 11.233 8.903 1.00 0.00 H new ATOM 0 HB2 GLU A 417 2.583 8.867 9.157 1.00 0.00 H new ATOM 0 HB3 GLU A 417 1.318 9.119 7.970 1.00 0.00 H new ATOM 0 HG2 GLU A 417 2.951 8.756 6.144 1.00 0.00 H new ATOM 0 HG3 GLU A 417 4.226 8.523 7.323 1.00 0.00 H new ATOM 981 N THR A 418 4.922 11.032 7.150 1.00 0.00 N ATOM 982 CA THR A 418 6.363 11.214 7.134 1.00 0.00 C ATOM 983 C THR A 418 6.791 11.926 5.859 1.00 0.00 C ATOM 984 O THR A 418 7.981 12.106 5.598 1.00 0.00 O ATOM 985 CB THR A 418 7.087 9.864 7.236 1.00 0.00 C ATOM 986 OG1 THR A 418 8.495 10.034 7.033 1.00 0.00 O ATOM 987 CG2 THR A 418 6.524 8.897 6.214 1.00 0.00 C ATOM 0 H THR A 418 4.497 11.001 6.223 1.00 0.00 H new ATOM 0 HA THR A 418 6.634 11.823 7.996 1.00 0.00 H new ATOM 0 HB THR A 418 6.929 9.457 8.235 1.00 0.00 H new ATOM 0 HG1 THR A 418 8.662 10.900 6.606 1.00 0.00 H new ATOM 0 HG21 THR A 418 7.043 7.942 6.293 1.00 0.00 H new ATOM 0 HG22 THR A 418 5.460 8.749 6.401 1.00 0.00 H new ATOM 0 HG23 THR A 418 6.663 9.304 5.213 1.00 0.00 H new ATOM 995 N ALA A 419 5.799 12.338 5.078 1.00 0.00 N ATOM 996 CA ALA A 419 6.039 13.045 3.828 1.00 0.00 C ATOM 997 C ALA A 419 6.985 12.269 2.918 1.00 0.00 C ATOM 998 O ALA A 419 7.991 12.804 2.452 1.00 0.00 O ATOM 999 CB ALA A 419 6.589 14.434 4.110 1.00 0.00 C ATOM 0 H ALA A 419 4.812 12.192 5.292 1.00 0.00 H new ATOM 0 HA ALA A 419 5.086 13.139 3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 419 6.765 14.954 3.168 1.00 0.00 H new ATOM 0 HB2 ALA A 419 5.870 14.996 4.706 1.00 0.00 H new ATOM 0 HB3 ALA A 419 7.527 14.349 4.658 1.00 0.00 H new ATOM 1005 N LYS A 420 6.656 11.004 2.668 1.00 0.00 N ATOM 1006 CA LYS A 420 7.479 10.157 1.810 1.00 0.00 C ATOM 1007 C LYS A 420 7.698 10.812 0.451 1.00 0.00 C ATOM 1008 O LYS A 420 8.821 10.871 -0.049 1.00 0.00 O ATOM 1009 CB LYS A 420 6.831 8.782 1.628 1.00 0.00 C ATOM 1010 CG LYS A 420 6.687 8.001 2.924 1.00 0.00 C ATOM 1011 CD LYS A 420 6.082 6.627 2.683 1.00 0.00 C ATOM 1012 CE LYS A 420 5.936 5.848 3.981 1.00 0.00 C ATOM 1013 NZ LYS A 420 5.358 4.493 3.755 1.00 0.00 N ATOM 0 H LYS A 420 5.828 10.544 3.046 1.00 0.00 H new ATOM 0 HA LYS A 420 8.447 10.029 2.295 1.00 0.00 H new ATOM 0 HB2 LYS A 420 5.846 8.910 1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 420 7.427 8.199 0.926 1.00 0.00 H new ATOM 0 HG2 LYS A 420 7.664 7.892 3.395 1.00 0.00 H new ATOM 0 HG3 LYS A 420 6.059 8.559 3.619 1.00 0.00 H new ATOM 0 HD2 LYS A 420 5.106 6.736 2.211 1.00 0.00 H new ATOM 0 HD3 LYS A 420 6.711 6.068 1.990 1.00 0.00 H new ATOM 0 HE2 LYS A 420 6.911 5.751 4.458 1.00 0.00 H new ATOM 0 HE3 LYS A 420 5.299 6.404 4.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 5.275 3.995 4.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 4.416 4.585 3.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 5.979 3.952 3.120 1.00 0.00 H new ATOM 1027 N ASP A 421 6.616 11.311 -0.134 1.00 0.00 N ATOM 1028 CA ASP A 421 6.685 11.974 -1.431 1.00 0.00 C ATOM 1029 C ASP A 421 7.425 13.302 -1.316 1.00 0.00 C ATOM 1030 O ASP A 421 7.150 14.100 -0.420 1.00 0.00 O ATOM 1031 CB ASP A 421 5.278 12.204 -1.986 1.00 0.00 C ATOM 1032 CG ASP A 421 4.515 10.907 -2.176 1.00 0.00 C ATOM 1033 OD1 ASP A 421 4.989 10.047 -2.948 1.00 0.00 O ATOM 1034 OD2 ASP A 421 3.443 10.753 -1.553 1.00 0.00 O ATOM 0 H ASP A 421 5.680 11.269 0.269 1.00 0.00 H new ATOM 0 HA ASP A 421 7.234 11.328 -2.117 1.00 0.00 H new ATOM 0 HB2 ASP A 421 4.724 12.853 -1.308 1.00 0.00 H new ATOM 0 HB3 ASP A 421 5.347 12.725 -2.941 1.00 0.00 H new ATOM 1039 N GLY A 422 8.367 13.533 -2.227 1.00 0.00 N ATOM 1040 CA GLY A 422 9.134 14.766 -2.204 1.00 0.00 C ATOM 1041 C GLY A 422 10.071 14.844 -1.013 1.00 0.00 C ATOM 1042 O GLY A 422 9.689 14.509 0.109 1.00 0.00 O ATOM 0 H GLY A 422 8.612 12.889 -2.979 1.00 0.00 H new ATOM 0 HA2 GLY A 422 9.713 14.847 -3.124 1.00 0.00 H new ATOM 0 HA3 GLY A 422 8.451 15.615 -2.181 1.00 0.00 H new ATOM 1046 N LYS A 423 11.302 15.284 -1.256 1.00 0.00 N ATOM 1047 CA LYS A 423 12.296 15.400 -0.194 1.00 0.00 C ATOM 1048 C LYS A 423 11.850 16.408 0.861 1.00 0.00 C ATOM 1049 O LYS A 423 11.358 17.489 0.532 1.00 0.00 O ATOM 1050 CB LYS A 423 13.652 15.809 -0.773 1.00 0.00 C ATOM 1051 CG LYS A 423 14.203 14.817 -1.788 1.00 0.00 C ATOM 1052 CD LYS A 423 14.399 13.440 -1.173 1.00 0.00 C ATOM 1053 CE LYS A 423 14.887 12.433 -2.201 1.00 0.00 C ATOM 1054 NZ LYS A 423 16.207 12.819 -2.773 1.00 0.00 N ATOM 0 H LYS A 423 11.635 15.566 -2.178 1.00 0.00 H new ATOM 0 HA LYS A 423 12.396 14.425 0.283 1.00 0.00 H new ATOM 0 HB2 LYS A 423 13.556 16.786 -1.247 1.00 0.00 H new ATOM 0 HB3 LYS A 423 14.368 15.919 0.042 1.00 0.00 H new ATOM 0 HG2 LYS A 423 13.520 14.744 -2.635 1.00 0.00 H new ATOM 0 HG3 LYS A 423 15.154 15.182 -2.176 1.00 0.00 H new ATOM 0 HD2 LYS A 423 15.118 13.505 -0.356 1.00 0.00 H new ATOM 0 HD3 LYS A 423 13.458 13.095 -0.743 1.00 0.00 H new ATOM 0 HE2 LYS A 423 14.966 11.450 -1.737 1.00 0.00 H new ATOM 0 HE3 LYS A 423 14.154 12.349 -3.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 16.592 12.026 -3.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 16.088 13.646 -3.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 16.864 13.055 -2.002 1.00 0.00 H new ATOM 1068 N THR A 424 12.018 16.043 2.129 1.00 0.00 N ATOM 1069 CA THR A 424 11.627 16.911 3.234 1.00 0.00 C ATOM 1070 C THR A 424 12.389 18.233 3.199 1.00 0.00 C ATOM 1071 O THR A 424 11.786 19.306 3.244 1.00 0.00 O ATOM 1072 CB THR A 424 11.862 16.229 4.596 1.00 0.00 C ATOM 1073 OG1 THR A 424 11.118 15.007 4.667 1.00 0.00 O ATOM 1074 CG2 THR A 424 11.450 17.143 5.740 1.00 0.00 C ATOM 0 H THR A 424 12.422 15.152 2.416 1.00 0.00 H new ATOM 0 HA THR A 424 10.562 17.110 3.115 1.00 0.00 H new ATOM 0 HB THR A 424 12.927 16.014 4.689 1.00 0.00 H new ATOM 0 HG1 THR A 424 11.274 14.579 5.535 1.00 0.00 H new ATOM 0 HG21 THR A 424 11.626 16.639 6.690 1.00 0.00 H new ATOM 0 HG22 THR A 424 12.037 18.060 5.702 1.00 0.00 H new ATOM 0 HG23 THR A 424 10.391 17.386 5.648 1.00 0.00 H new ATOM 1082 N GLY A 425 13.715 18.154 3.123 1.00 0.00 N ATOM 1083 CA GLY A 425 14.524 19.360 3.089 1.00 0.00 C ATOM 1084 C GLY A 425 16.007 19.084 3.245 1.00 0.00 C ATOM 1085 O GLY A 425 16.835 19.751 2.625 1.00 0.00 O ATOM 0 H GLY A 425 14.241 17.281 3.085 1.00 0.00 H new ATOM 0 HA2 GLY A 425 14.354 19.878 2.145 1.00 0.00 H new ATOM 0 HA3 GLY A 425 14.199 20.031 3.884 1.00 0.00 H new ATOM 1089 N ASN A 426 16.342 18.108 4.086 1.00 0.00 N ATOM 1090 CA ASN A 426 17.736 17.750 4.336 1.00 0.00 C ATOM 1091 C ASN A 426 18.499 17.540 3.032 1.00 0.00 C ATOM 1092 O ASN A 426 18.038 16.832 2.136 1.00 0.00 O ATOM 1093 CB ASN A 426 17.811 16.486 5.193 1.00 0.00 C ATOM 1094 CG ASN A 426 17.145 16.663 6.543 1.00 0.00 C ATOM 1095 OD1 ASN A 426 17.553 17.506 7.343 1.00 0.00 O ATOM 1096 ND2 ASN A 426 16.113 15.870 6.804 1.00 0.00 N ATOM 0 H ASN A 426 15.665 17.550 4.607 1.00 0.00 H new ATOM 0 HA ASN A 426 18.202 18.577 4.871 1.00 0.00 H new ATOM 0 HB2 ASN A 426 17.336 15.661 4.662 1.00 0.00 H new ATOM 0 HB3 ASN A 426 18.856 16.211 5.339 1.00 0.00 H new ATOM 0 HD21 ASN A 426 15.625 15.946 7.696 1.00 0.00 H new ATOM 0 HD22 ASN A 426 15.808 15.185 6.112 1.00 0.00 H new ATOM 1103 N THR A 427 19.668 18.166 2.937 1.00 0.00 N ATOM 1104 CA THR A 427 20.506 18.060 1.748 1.00 0.00 C ATOM 1105 C THR A 427 21.062 16.648 1.591 1.00 0.00 C ATOM 1106 O THR A 427 21.382 15.982 2.577 1.00 0.00 O ATOM 1107 CB THR A 427 21.677 19.061 1.795 1.00 0.00 C ATOM 1108 OG1 THR A 427 21.175 20.396 1.922 1.00 0.00 O ATOM 1109 CG2 THR A 427 22.534 18.956 0.541 1.00 0.00 C ATOM 0 H THR A 427 20.058 18.755 3.673 1.00 0.00 H new ATOM 0 HA THR A 427 19.873 18.294 0.892 1.00 0.00 H new ATOM 0 HB THR A 427 22.295 18.819 2.660 1.00 0.00 H new ATOM 0 HG1 THR A 427 21.925 21.026 1.953 1.00 0.00 H new ATOM 0 HG21 THR A 427 23.353 19.673 0.599 1.00 0.00 H new ATOM 0 HG22 THR A 427 22.939 17.947 0.461 1.00 0.00 H new ATOM 0 HG23 THR A 427 21.924 19.173 -0.336 1.00 0.00 H new ATOM 1117 N ASN A 428 21.178 16.202 0.344 1.00 0.00 N ATOM 1118 CA ASN A 428 21.697 14.877 0.045 1.00 0.00 C ATOM 1119 C ASN A 428 21.938 14.727 -1.454 1.00 0.00 C ATOM 1120 O ASN A 428 22.981 14.229 -1.879 1.00 0.00 O ATOM 1121 CB ASN A 428 20.726 13.798 0.534 1.00 0.00 C ATOM 1122 CG ASN A 428 21.275 12.388 0.387 1.00 0.00 C ATOM 1123 OD1 ASN A 428 22.538 12.269 -0.012 1.00 0.00 O flip ATOM 1124 ND2 ASN A 428 20.572 11.410 0.644 1.00 0.00 N flip ATOM 0 H ASN A 428 20.917 16.745 -0.479 1.00 0.00 H new ATOM 0 HA ASN A 428 22.646 14.753 0.567 1.00 0.00 H new ATOM 0 HB2 ASN A 428 20.487 13.981 1.582 1.00 0.00 H new ATOM 0 HB3 ASN A 428 19.793 13.878 -0.024 1.00 0.00 H new ATOM 0 HD21 ASN A 428 19.607 11.541 0.948 1.00 0.00 H new ATOM 0 HD22 ASN A 428 20.955 10.469 0.553 1.00 0.00 H new ATOM 1131 N THR A 429 20.969 15.169 -2.250 1.00 0.00 N ATOM 1132 CA THR A 429 21.075 15.091 -3.703 1.00 0.00 C ATOM 1133 C THR A 429 22.178 16.011 -4.221 1.00 0.00 C ATOM 1134 O THR A 429 22.261 17.173 -3.822 1.00 0.00 O ATOM 1135 CB THR A 429 19.742 15.470 -4.380 1.00 0.00 C ATOM 1136 OG1 THR A 429 18.701 14.589 -3.941 1.00 0.00 O ATOM 1137 CG2 THR A 429 19.860 15.402 -5.896 1.00 0.00 C ATOM 0 H THR A 429 20.101 15.585 -1.913 1.00 0.00 H new ATOM 0 HA THR A 429 21.321 14.059 -3.952 1.00 0.00 H new ATOM 0 HB THR A 429 19.499 16.494 -4.097 1.00 0.00 H new ATOM 0 HG1 THR A 429 17.858 14.838 -4.374 1.00 0.00 H new ATOM 0 HG21 THR A 429 18.906 15.674 -6.348 1.00 0.00 H new ATOM 0 HG22 THR A 429 20.631 16.095 -6.232 1.00 0.00 H new ATOM 0 HG23 THR A 429 20.127 14.388 -6.195 1.00 0.00 H new ATOM 1145 N THR A 430 23.015 15.477 -5.114 1.00 0.00 N ATOM 1146 CA THR A 430 24.124 16.230 -5.705 1.00 0.00 C ATOM 1147 C THR A 430 25.267 16.432 -4.710 1.00 0.00 C ATOM 1148 O THR A 430 26.437 16.300 -5.069 1.00 0.00 O ATOM 1149 CB THR A 430 23.665 17.605 -6.238 1.00 0.00 C ATOM 1150 OG1 THR A 430 22.633 17.431 -7.216 1.00 0.00 O ATOM 1151 CG2 THR A 430 24.829 18.366 -6.857 1.00 0.00 C ATOM 0 H THR A 430 22.944 14.515 -5.446 1.00 0.00 H new ATOM 0 HA THR A 430 24.485 15.631 -6.541 1.00 0.00 H new ATOM 0 HB THR A 430 23.280 18.183 -5.398 1.00 0.00 H new ATOM 0 HG1 THR A 430 22.346 18.307 -7.548 1.00 0.00 H new ATOM 0 HG21 THR A 430 24.479 19.331 -7.224 1.00 0.00 H new ATOM 0 HG22 THR A 430 25.602 18.523 -6.105 1.00 0.00 H new ATOM 0 HG23 THR A 430 25.241 17.790 -7.686 1.00 0.00 H new ATOM 1159 N GLY A 431 24.927 16.752 -3.463 1.00 0.00 N ATOM 1160 CA GLY A 431 25.942 16.964 -2.446 1.00 0.00 C ATOM 1161 C GLY A 431 26.675 15.689 -2.072 1.00 0.00 C ATOM 1162 O GLY A 431 27.093 14.927 -2.944 1.00 0.00 O ATOM 0 H GLY A 431 23.967 16.868 -3.140 1.00 0.00 H new ATOM 0 HA2 GLY A 431 26.662 17.699 -2.805 1.00 0.00 H new ATOM 0 HA3 GLY A 431 25.475 17.384 -1.555 1.00 0.00 H new ATOM 1166 N SER A 432 26.836 15.463 -0.772 1.00 0.00 N ATOM 1167 CA SER A 432 27.527 14.276 -0.274 1.00 0.00 C ATOM 1168 C SER A 432 26.641 13.034 -0.378 1.00 0.00 C ATOM 1169 O SER A 432 26.264 12.442 0.633 1.00 0.00 O ATOM 1170 CB SER A 432 27.965 14.489 1.176 1.00 0.00 C ATOM 1171 OG SER A 432 26.853 14.754 2.013 1.00 0.00 O ATOM 0 H SER A 432 26.496 16.088 -0.041 1.00 0.00 H new ATOM 0 HA SER A 432 28.409 14.115 -0.894 1.00 0.00 H new ATOM 0 HB2 SER A 432 28.490 13.603 1.534 1.00 0.00 H new ATOM 0 HB3 SER A 432 28.669 15.320 1.228 1.00 0.00 H new ATOM 0 HG SER A 432 26.224 14.004 1.969 1.00 0.00 H new ATOM 1177 N SER A 433 26.313 12.644 -1.608 1.00 0.00 N ATOM 1178 CA SER A 433 25.474 11.473 -1.842 1.00 0.00 C ATOM 1179 C SER A 433 26.121 10.215 -1.273 1.00 0.00 C ATOM 1180 O SER A 433 25.747 9.816 -0.150 1.00 0.00 O ATOM 1181 CB SER A 433 25.217 11.296 -3.341 1.00 0.00 C ATOM 1182 OG SER A 433 24.429 10.145 -3.591 1.00 0.00 O ATOM 1183 OXT SER A 433 26.993 9.637 -1.957 1.00 0.00 O ATOM 0 H SER A 433 26.616 13.122 -2.457 1.00 0.00 H new ATOM 0 HA SER A 433 24.523 11.631 -1.333 1.00 0.00 H new ATOM 0 HB2 SER A 433 24.712 12.179 -3.733 1.00 0.00 H new ATOM 0 HB3 SER A 433 26.167 11.212 -3.869 1.00 0.00 H new ATOM 0 HG SER A 433 24.278 10.055 -4.555 1.00 0.00 H new TER 1189 SER A 433