USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 698 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 84 LYS NZ :NH3+ 174:sc= 1.17 (180deg=0) USER MOD Set 1.2: A 88 GLN : amide:sc= 0.985 K(o=2.2,f=-6.9!) USER MOD Set 2.1: A 33 GLN : amide:sc= -1.05! C(o=-2!,f=-7.6!) USER MOD Set 2.2: A 37 THR OG1 : rot -80:sc= 0.839 USER MOD Set 2.3: A 81 GLN : amide:sc= -1.52! C(o=-2!,f=-4.1!) USER MOD Set 2.4: A 85 GLN : amide:sc= -0.23 K(o=-2,f=-11!) USER MOD Set 3.1: A 61 ASN : amide:sc= 0 X(o=-0.63,f=-0.96) USER MOD Set 3.2: A 64 GLN : amide:sc= -0.633 X(o=-0.63,f=-0.96) USER MOD Set 4.1: A 30 ASN : amide:sc= 0 X(o=-0.089,f=-0.089) USER MOD Set 4.2: A 34 MET CE :methyl 150:sc= -0.0892 (180deg=-0.448) USER MOD Single : A 4 THR OG1 : rot 150:sc= 1.02 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.0183 F(o=-0.74,f=-0.018) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.633 F(o=-2.1!,f=-0.63) USER MOD Single : A 31 HIS :FLIP no HD1:sc= -0.342 F(o=-0.85,f=-0.34) USER MOD Single : A 35 HIS : no HD1:sc= -0.34 X(o=-0.34,f=-0.31) USER MOD Single : A 38 SER OG : rot 85:sc= 0.7 USER MOD Single : A 55 HIS : no HD1:sc= -0.984 K(o=-0.98,f=-2.3!) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0763 USER MOD Single : A 62 GLN : amide:sc= -0.613 K(o=-0.61,f=-4.6!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0.942 K(o=0.94,f=0) USER MOD Single : A 71 GLN : amide:sc= -1.78! C(o=-1.8!,f=-3.8!) USER MOD Single : A 76 LYS NZ :NH3+ -162:sc= -0.069 (180deg=-0.415) USER MOD Single : A 77 GLN :FLIP amide:sc= -0.0474 F(o=-1.2,f=-0.047) USER MOD Single : A 83 GLN : amide:sc= -0.311 K(o=-0.31,f=-1.6) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 90 GLN : amide:sc= -0.0105 K(o=-0.011,f=-0.62) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 GLN : amide:sc= 0.0438 X(o=0.044,f=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 167:sc= 1.46 (180deg=1.32) USER MOD Single : A 102 LYS NZ :NH3+ 171:sc=-0.00805 (180deg=-0.107) USER MOD Single : A 104 GLN : amide:sc= -0.141 K(o=-0.14,f=-1.2) USER MOD Single : A 105 MET CE :methyl 168:sc=-0.00047 (180deg=-0.17) USER MOD Single : A 108 ASN : amide:sc= -0.0893 K(o=-0.089,f=-1.4!) USER MOD Single : A 109 GLN : amide:sc= -0.853 K(o=-0.85,f=-1.8) USER MOD Single : A 111 ASN : amide:sc= -0.0176 X(o=-0.018,f=-0.22) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0.19) USER MOD Single : A 115 SER OG : rot 42:sc= 0.0609 USER MOD ----------------------------------------------------------------- ATOM 34 N CYS A 3 -14.188 -12.598 -7.887 1.00 0.00 N ATOM 35 CA CYS A 3 -15.159 -13.361 -8.599 1.00 0.00 C ATOM 36 C CYS A 3 -15.577 -14.545 -7.741 1.00 0.00 C ATOM 37 O CYS A 3 -14.792 -15.035 -6.916 1.00 0.00 O ATOM 38 CB CYS A 3 -14.572 -13.869 -9.928 1.00 0.00 C ATOM 39 SG CYS A 3 -13.679 -12.633 -11.001 1.00 0.00 S ATOM 0 HA CYS A 3 -16.022 -12.733 -8.818 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -13.880 -14.680 -9.702 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -15.386 -14.297 -10.513 1.00 0.00 H new ATOM 44 N THR A 4 -16.809 -14.958 -7.867 1.00 0.00 N ATOM 45 CA THR A 4 -17.279 -16.121 -7.178 1.00 0.00 C ATOM 46 C THR A 4 -16.798 -17.361 -7.926 1.00 0.00 C ATOM 47 O THR A 4 -16.663 -17.339 -9.169 1.00 0.00 O ATOM 48 CB THR A 4 -18.836 -16.134 -7.066 1.00 0.00 C ATOM 49 OG1 THR A 4 -19.439 -16.070 -8.368 1.00 0.00 O ATOM 50 CG2 THR A 4 -19.338 -14.961 -6.237 1.00 0.00 C ATOM 0 H THR A 4 -17.510 -14.498 -8.448 1.00 0.00 H new ATOM 0 HA THR A 4 -16.880 -16.112 -6.164 1.00 0.00 H new ATOM 0 HB THR A 4 -19.116 -17.066 -6.576 1.00 0.00 H new ATOM 0 HG1 THR A 4 -20.299 -16.539 -8.353 1.00 0.00 H new ATOM 0 HG21 THR A 4 -20.426 -14.997 -6.177 1.00 0.00 H new ATOM 0 HG22 THR A 4 -18.917 -15.018 -5.233 1.00 0.00 H new ATOM 0 HG23 THR A 4 -19.031 -14.026 -6.706 1.00 0.00 H new ATOM 58 N LYS A 5 -16.509 -18.413 -7.208 1.00 0.00 N ATOM 59 CA LYS A 5 -16.101 -19.644 -7.827 1.00 0.00 C ATOM 60 C LYS A 5 -17.325 -20.469 -8.157 1.00 0.00 C ATOM 61 O LYS A 5 -17.641 -21.453 -7.488 1.00 0.00 O ATOM 62 CB LYS A 5 -15.091 -20.450 -6.978 1.00 0.00 C ATOM 63 CG LYS A 5 -13.653 -19.896 -6.936 1.00 0.00 C ATOM 64 CD LYS A 5 -13.498 -18.572 -6.188 1.00 0.00 C ATOM 65 CE LYS A 5 -13.821 -18.709 -4.710 1.00 0.00 C ATOM 66 NZ LYS A 5 -13.481 -17.489 -3.959 1.00 0.00 N ATOM 0 H LYS A 5 -16.549 -18.441 -6.189 1.00 0.00 H new ATOM 0 HA LYS A 5 -15.571 -19.391 -8.745 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.468 -20.506 -5.957 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.056 -21.470 -7.362 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.006 -20.639 -6.469 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.300 -19.763 -7.959 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.477 -18.209 -6.303 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.154 -17.825 -6.634 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.882 -18.926 -4.589 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.273 -19.555 -4.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.716 -17.623 -2.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.464 -17.295 -4.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -14.023 -16.686 -4.338 1.00 0.00 H new ATOM 80 N SER A 6 -18.059 -19.987 -9.120 1.00 0.00 N ATOM 81 CA SER A 6 -19.246 -20.612 -9.578 1.00 0.00 C ATOM 82 C SER A 6 -19.341 -20.330 -11.068 1.00 0.00 C ATOM 83 O SER A 6 -18.517 -19.575 -11.598 1.00 0.00 O ATOM 84 CB SER A 6 -20.449 -20.020 -8.819 1.00 0.00 C ATOM 85 OG SER A 6 -21.664 -20.705 -9.111 1.00 0.00 O ATOM 0 H SER A 6 -17.833 -19.124 -9.615 1.00 0.00 H new ATOM 0 HA SER A 6 -19.240 -21.688 -9.402 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.257 -20.066 -7.747 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.557 -18.967 -9.079 1.00 0.00 H new ATOM 0 HG SER A 6 -22.399 -20.297 -8.607 1.00 0.00 H new ATOM 91 N ILE A 7 -20.272 -20.956 -11.734 1.00 0.00 N ATOM 92 CA ILE A 7 -20.507 -20.760 -13.147 1.00 0.00 C ATOM 93 C ILE A 7 -21.993 -20.468 -13.347 1.00 0.00 C ATOM 94 O ILE A 7 -22.828 -21.276 -12.945 1.00 0.00 O ATOM 95 CB ILE A 7 -20.095 -22.024 -13.966 1.00 0.00 C ATOM 96 CG1 ILE A 7 -18.588 -22.321 -13.800 1.00 0.00 C ATOM 97 CG2 ILE A 7 -20.460 -21.877 -15.445 1.00 0.00 C ATOM 98 CD1 ILE A 7 -17.661 -21.270 -14.386 1.00 0.00 C ATOM 0 H ILE A 7 -20.904 -21.632 -11.305 1.00 0.00 H new ATOM 0 HA ILE A 7 -19.902 -19.926 -13.503 1.00 0.00 H new ATOM 0 HB ILE A 7 -20.656 -22.870 -13.569 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -18.368 -22.427 -12.738 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -18.368 -23.280 -14.268 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -20.159 -22.775 -15.985 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -21.537 -21.739 -15.542 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -19.944 -21.012 -15.863 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -16.625 -21.566 -14.221 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -17.846 -21.178 -15.456 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -17.846 -20.311 -13.902 1.00 0.00 H new ATOM 110 N PRO A 8 -22.357 -19.298 -13.901 1.00 0.00 N ATOM 111 CA PRO A 8 -21.407 -18.252 -14.294 1.00 0.00 C ATOM 112 C PRO A 8 -20.802 -17.553 -13.076 1.00 0.00 C ATOM 113 O PRO A 8 -21.462 -17.437 -12.022 1.00 0.00 O ATOM 114 CB PRO A 8 -22.267 -17.255 -15.080 1.00 0.00 C ATOM 115 CG PRO A 8 -23.550 -17.958 -15.345 1.00 0.00 C ATOM 116 CD PRO A 8 -23.733 -18.906 -14.211 1.00 0.00 C ATOM 0 HA PRO A 8 -20.570 -18.658 -14.862 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -22.431 -16.342 -14.508 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -21.779 -16.965 -16.011 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -24.378 -17.252 -15.402 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -23.516 -18.488 -16.297 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -24.221 -18.431 -13.360 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -24.345 -19.763 -14.493 1.00 0.00 H new ATOM 124 N PRO A 9 -19.540 -17.123 -13.178 1.00 0.00 N ATOM 125 CA PRO A 9 -18.869 -16.438 -12.097 1.00 0.00 C ATOM 126 C PRO A 9 -19.382 -15.006 -11.942 1.00 0.00 C ATOM 127 O PRO A 9 -19.649 -14.304 -12.940 1.00 0.00 O ATOM 128 CB PRO A 9 -17.396 -16.435 -12.514 1.00 0.00 C ATOM 129 CG PRO A 9 -17.416 -16.537 -13.999 1.00 0.00 C ATOM 130 CD PRO A 9 -18.665 -17.292 -14.359 1.00 0.00 C ATOM 0 HA PRO A 9 -19.039 -16.924 -11.136 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -16.895 -15.523 -12.188 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -16.858 -17.271 -12.068 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -17.416 -15.547 -14.456 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -16.530 -17.057 -14.364 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -19.129 -16.890 -15.260 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -18.454 -18.344 -14.552 1.00 0.00 H new ATOM 138 N ILE A 10 -19.543 -14.585 -10.727 1.00 0.00 N ATOM 139 CA ILE A 10 -20.012 -13.256 -10.434 1.00 0.00 C ATOM 140 C ILE A 10 -18.821 -12.478 -9.938 1.00 0.00 C ATOM 141 O ILE A 10 -18.243 -12.839 -8.915 1.00 0.00 O ATOM 142 CB ILE A 10 -21.084 -13.287 -9.312 1.00 0.00 C ATOM 143 CG1 ILE A 10 -22.152 -14.371 -9.592 1.00 0.00 C ATOM 144 CG2 ILE A 10 -21.732 -11.915 -9.152 1.00 0.00 C ATOM 145 CD1 ILE A 10 -22.892 -14.209 -10.903 1.00 0.00 C ATOM 0 H ILE A 10 -19.353 -15.153 -9.901 1.00 0.00 H new ATOM 0 HA ILE A 10 -20.458 -12.809 -11.323 1.00 0.00 H new ATOM 0 HB ILE A 10 -20.587 -13.543 -8.376 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -21.669 -15.348 -9.582 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -22.877 -14.365 -8.778 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -22.481 -11.956 -8.361 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -20.970 -11.181 -8.892 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -22.209 -11.627 -10.089 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -23.619 -15.014 -11.012 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -23.409 -13.249 -10.913 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -22.182 -14.247 -11.729 1.00 0.00 H new ATOM 157 N CYS A 11 -18.410 -11.474 -10.651 1.00 0.00 N ATOM 158 CA CYS A 11 -17.240 -10.756 -10.246 1.00 0.00 C ATOM 159 C CYS A 11 -17.570 -9.317 -9.929 1.00 0.00 C ATOM 160 O CYS A 11 -18.282 -8.639 -10.677 1.00 0.00 O ATOM 161 CB CYS A 11 -16.141 -10.864 -11.299 1.00 0.00 C ATOM 162 SG CYS A 11 -14.455 -10.776 -10.642 1.00 0.00 S ATOM 0 H CYS A 11 -18.859 -11.137 -11.503 1.00 0.00 H new ATOM 0 HA CYS A 11 -16.861 -11.212 -9.331 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -16.260 -11.806 -11.834 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -16.275 -10.065 -12.028 1.00 0.00 H new ATOM 310 N CYS A 22 2.389 -8.469 -2.466 1.00 0.00 N ATOM 311 CA CYS A 22 3.579 -8.562 -1.703 1.00 0.00 C ATOM 312 C CYS A 22 3.454 -7.744 -0.446 1.00 0.00 C ATOM 313 O CYS A 22 2.900 -6.632 -0.468 1.00 0.00 O ATOM 314 CB CYS A 22 4.744 -8.038 -2.510 1.00 0.00 C ATOM 315 SG CYS A 22 5.320 -9.104 -3.862 1.00 0.00 S ATOM 0 HA CYS A 22 3.745 -9.607 -1.443 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.464 -7.072 -2.930 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.579 -7.861 -1.832 1.00 0.00 H new ATOM 320 N GLN A 23 3.905 -8.281 0.641 1.00 0.00 N ATOM 321 CA GLN A 23 3.949 -7.528 1.840 1.00 0.00 C ATOM 322 C GLN A 23 5.366 -7.071 2.057 1.00 0.00 C ATOM 323 O GLN A 23 6.306 -7.861 2.040 1.00 0.00 O ATOM 324 CB GLN A 23 3.381 -8.286 3.042 1.00 0.00 C ATOM 325 CG GLN A 23 4.086 -9.577 3.387 1.00 0.00 C ATOM 326 CD GLN A 23 3.502 -10.238 4.617 1.00 0.00 C ATOM 327 OE1 GLN A 23 2.303 -10.102 4.916 1.00 0.00 O ATOM 328 NE2 GLN A 23 4.325 -10.932 5.347 1.00 0.00 N ATOM 0 H GLN A 23 4.247 -9.239 0.718 1.00 0.00 H new ATOM 0 HA GLN A 23 3.300 -6.658 1.740 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.414 -7.630 3.912 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.331 -8.506 2.848 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.019 -10.262 2.542 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.145 -9.378 3.552 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.302 -11.021 5.069 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.993 -11.387 6.197 1.00 0.00 H new ATOM 337 N ILE A 24 5.517 -5.802 2.144 1.00 0.00 N ATOM 338 CA ILE A 24 6.791 -5.173 2.314 1.00 0.00 C ATOM 339 C ILE A 24 6.673 -4.383 3.566 1.00 0.00 C ATOM 340 O ILE A 24 5.652 -3.723 3.786 1.00 0.00 O ATOM 341 CB ILE A 24 7.168 -4.240 1.090 1.00 0.00 C ATOM 342 CG1 ILE A 24 7.026 -4.970 -0.250 1.00 0.00 C ATOM 343 CG2 ILE A 24 8.582 -3.712 1.185 1.00 0.00 C ATOM 344 CD1 ILE A 24 5.632 -5.001 -0.803 1.00 0.00 C ATOM 0 H ILE A 24 4.739 -5.144 2.099 1.00 0.00 H new ATOM 0 HA ILE A 24 7.588 -5.915 2.367 1.00 0.00 H new ATOM 0 HB ILE A 24 6.466 -3.408 1.135 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.681 -4.493 -0.979 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.377 -5.995 -0.129 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.792 -3.078 0.324 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.692 -3.129 2.100 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.282 -4.547 1.200 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.629 -5.538 -1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.972 -5.507 -0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.281 -3.981 -0.962 1.00 0.00 H new ATOM 356 N ARG A 25 7.665 -4.483 4.399 1.00 0.00 N ATOM 357 CA ARG A 25 7.628 -3.883 5.692 1.00 0.00 C ATOM 358 C ARG A 25 7.623 -2.371 5.568 1.00 0.00 C ATOM 359 O ARG A 25 8.527 -1.767 4.984 1.00 0.00 O ATOM 360 CB ARG A 25 8.797 -4.398 6.533 1.00 0.00 C ATOM 361 CG ARG A 25 10.150 -4.005 6.005 1.00 0.00 C ATOM 362 CD ARG A 25 11.247 -4.786 6.640 1.00 0.00 C ATOM 363 NE ARG A 25 11.216 -6.191 6.242 1.00 0.00 N ATOM 364 CZ ARG A 25 12.189 -7.069 6.479 1.00 0.00 C ATOM 365 NH1 ARG A 25 13.254 -6.714 7.191 1.00 0.00 N ATOM 366 NH2 ARG A 25 12.084 -8.304 6.012 1.00 0.00 N ATOM 0 H ARG A 25 8.528 -4.988 4.196 1.00 0.00 H new ATOM 0 HA ARG A 25 6.708 -4.163 6.205 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.692 -4.022 7.551 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.741 -5.485 6.587 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.176 -4.156 4.926 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.313 -2.942 6.182 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.208 -4.352 6.365 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.163 -4.714 7.724 1.00 0.00 H new ATOM 0 HE ARG A 25 10.389 -6.524 5.746 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.329 -5.765 7.559 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.996 -7.390 7.370 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.262 -8.578 5.474 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.826 -8.981 6.190 1.00 0.00 H new ATOM 380 N ILE A 26 6.602 -1.767 6.120 1.00 0.00 N ATOM 381 CA ILE A 26 6.394 -0.334 6.017 1.00 0.00 C ATOM 382 C ILE A 26 7.494 0.456 6.696 1.00 0.00 C ATOM 383 O ILE A 26 7.713 1.631 6.400 1.00 0.00 O ATOM 384 CB ILE A 26 4.967 0.103 6.501 1.00 0.00 C ATOM 385 CG1 ILE A 26 4.649 -0.252 7.978 1.00 0.00 C ATOM 386 CG2 ILE A 26 3.912 -0.499 5.599 1.00 0.00 C ATOM 387 CD1 ILE A 26 5.284 0.642 9.023 1.00 0.00 C ATOM 0 H ILE A 26 5.884 -2.253 6.658 1.00 0.00 H new ATOM 0 HA ILE A 26 6.446 -0.094 4.955 1.00 0.00 H new ATOM 0 HB ILE A 26 4.958 1.191 6.444 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.568 -0.226 8.113 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.968 -1.278 8.162 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.923 -0.192 5.940 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.067 -0.153 4.577 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.985 -1.586 5.629 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.994 0.302 10.017 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.369 0.600 8.927 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.946 1.668 8.878 1.00 0.00 H new ATOM 399 N GLN A 27 8.237 -0.221 7.544 1.00 0.00 N ATOM 400 CA GLN A 27 9.301 0.398 8.276 1.00 0.00 C ATOM 401 C GLN A 27 10.503 0.618 7.371 1.00 0.00 C ATOM 402 O GLN A 27 11.411 1.359 7.712 1.00 0.00 O ATOM 403 CB GLN A 27 9.678 -0.440 9.495 1.00 0.00 C ATOM 404 CG GLN A 27 10.204 -1.823 9.154 1.00 0.00 C ATOM 405 CD GLN A 27 10.555 -2.652 10.370 1.00 0.00 C ATOM 406 OE1 GLN A 27 11.011 -2.020 11.425 1.00 0.00 O flip ATOM 407 NE2 GLN A 27 10.440 -3.872 10.344 1.00 0.00 N flip ATOM 0 H GLN A 27 8.114 -1.215 7.740 1.00 0.00 H new ATOM 0 HA GLN A 27 8.959 1.369 8.633 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.434 0.094 10.070 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.803 -0.543 10.137 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.455 -2.353 8.567 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.089 -1.722 8.525 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.082 -4.333 9.507 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.702 -4.426 11.159 1.00 0.00 H new ATOM 416 N GLN A 28 10.502 -0.018 6.197 1.00 0.00 N ATOM 417 CA GLN A 28 11.593 0.184 5.280 1.00 0.00 C ATOM 418 C GLN A 28 11.201 1.246 4.266 1.00 0.00 C ATOM 419 O GLN A 28 12.024 1.732 3.504 1.00 0.00 O ATOM 420 CB GLN A 28 12.040 -1.106 4.582 1.00 0.00 C ATOM 421 CG GLN A 28 11.254 -1.501 3.342 1.00 0.00 C ATOM 422 CD GLN A 28 11.978 -2.555 2.543 1.00 0.00 C ATOM 423 OE1 GLN A 28 11.720 -3.797 2.825 1.00 0.00 O flip ATOM 424 NE2 GLN A 28 12.772 -2.244 1.672 1.00 0.00 N flip ATOM 0 H GLN A 28 9.774 -0.657 5.878 1.00 0.00 H new ATOM 0 HA GLN A 28 12.454 0.520 5.857 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.089 -1.001 4.305 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.981 -1.923 5.301 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.273 -1.875 3.635 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.087 -0.622 2.720 1.00 0.00 H new ATOM 0 HE21 GLN A 28 12.953 -1.260 1.474 1.00 0.00 H new ATOM 0 HE22 GLN A 28 13.256 -2.968 1.141 1.00 0.00 H new ATOM 433 N LEU A 29 9.924 1.602 4.273 1.00 0.00 N ATOM 434 CA LEU A 29 9.412 2.663 3.405 1.00 0.00 C ATOM 435 C LEU A 29 9.304 3.939 4.163 1.00 0.00 C ATOM 436 O LEU A 29 8.836 4.949 3.644 1.00 0.00 O ATOM 437 CB LEU A 29 8.055 2.333 2.781 1.00 0.00 C ATOM 438 CG LEU A 29 8.033 1.281 1.679 1.00 0.00 C ATOM 439 CD1 LEU A 29 9.166 1.511 0.686 1.00 0.00 C ATOM 440 CD2 LEU A 29 8.039 -0.120 2.240 1.00 0.00 C ATOM 0 H LEU A 29 9.218 1.172 4.871 1.00 0.00 H new ATOM 0 HA LEU A 29 10.128 2.761 2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.388 2.002 3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.636 3.254 2.377 1.00 0.00 H new ATOM 0 HG LEU A 29 7.095 1.388 1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.129 0.748 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.058 2.496 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.122 1.454 1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.023 -0.840 1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.939 -0.269 2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.160 -0.264 2.868 1.00 0.00 H new ATOM 452 N ASN A 30 9.772 3.881 5.382 1.00 0.00 N ATOM 453 CA ASN A 30 9.765 4.990 6.324 1.00 0.00 C ATOM 454 C ASN A 30 10.347 6.278 5.739 1.00 0.00 C ATOM 455 O ASN A 30 9.811 7.356 5.991 1.00 0.00 O ATOM 456 CB ASN A 30 10.484 4.577 7.624 1.00 0.00 C ATOM 457 CG ASN A 30 10.706 5.717 8.606 1.00 0.00 C ATOM 458 OD1 ASN A 30 9.826 6.050 9.405 1.00 0.00 O ATOM 459 ND2 ASN A 30 11.896 6.271 8.602 1.00 0.00 N ATOM 0 H ASN A 30 10.186 3.033 5.769 1.00 0.00 H new ATOM 0 HA ASN A 30 8.724 5.220 6.552 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.902 3.798 8.116 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.449 4.140 7.368 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.120 7.004 9.275 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.597 5.969 7.926 1.00 0.00 H new ATOM 466 N HIS A 31 11.384 6.172 4.903 1.00 0.00 N ATOM 467 CA HIS A 31 12.002 7.376 4.340 1.00 0.00 C ATOM 468 C HIS A 31 11.062 7.970 3.313 1.00 0.00 C ATOM 469 O HIS A 31 10.702 9.152 3.394 1.00 0.00 O ATOM 470 CB HIS A 31 13.347 7.075 3.658 1.00 0.00 C ATOM 471 CG HIS A 31 14.152 8.302 3.307 1.00 0.00 C ATOM 472 ND1 HIS A 31 13.868 9.333 2.467 1.00 0.00 N flip ATOM 473 CD2 HIS A 31 15.397 8.563 3.811 1.00 0.00 C flip ATOM 474 CE1 HIS A 31 14.938 10.217 2.459 1.00 0.00 C flip ATOM 475 NE2 HIS A 31 15.827 9.706 3.289 1.00 0.00 N flip ATOM 0 H HIS A 31 11.804 5.291 4.607 1.00 0.00 H new ATOM 0 HA HIS A 31 12.189 8.070 5.160 1.00 0.00 H new ATOM 0 HB2 HIS A 31 13.941 6.441 4.316 1.00 0.00 H new ATOM 0 HB3 HIS A 31 13.160 6.504 2.748 1.00 0.00 H new ATOM 0 HD2 HIS A 31 15.937 7.945 4.513 1.00 0.00 H new ATOM 0 HE1 HIS A 31 15.025 11.132 1.892 1.00 0.00 H new ATOM 0 HE2 HIS A 31 16.728 10.134 3.502 1.00 0.00 H new ATOM 483 N CYS A 32 10.664 7.126 2.369 1.00 0.00 N ATOM 484 CA CYS A 32 9.786 7.496 1.274 1.00 0.00 C ATOM 485 C CYS A 32 8.505 8.117 1.854 1.00 0.00 C ATOM 486 O CYS A 32 8.128 9.234 1.504 1.00 0.00 O ATOM 487 CB CYS A 32 9.468 6.232 0.451 1.00 0.00 C ATOM 488 SG CYS A 32 9.519 6.449 -1.362 1.00 0.00 S ATOM 0 H CYS A 32 10.950 6.147 2.346 1.00 0.00 H new ATOM 0 HA CYS A 32 10.261 8.229 0.621 1.00 0.00 H new ATOM 0 HB2 CYS A 32 10.176 5.451 0.727 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.476 5.876 0.730 1.00 0.00 H new ATOM 493 N GLN A 33 7.899 7.402 2.793 1.00 0.00 N ATOM 494 CA GLN A 33 6.732 7.837 3.514 1.00 0.00 C ATOM 495 C GLN A 33 6.907 9.238 4.149 1.00 0.00 C ATOM 496 O GLN A 33 6.113 10.149 3.882 1.00 0.00 O ATOM 497 CB GLN A 33 6.423 6.806 4.589 1.00 0.00 C ATOM 498 CG GLN A 33 5.433 7.275 5.610 1.00 0.00 C ATOM 499 CD GLN A 33 5.322 6.373 6.823 1.00 0.00 C ATOM 500 OE1 GLN A 33 6.285 5.722 7.217 1.00 0.00 O ATOM 501 NE2 GLN A 33 4.172 6.338 7.431 1.00 0.00 N ATOM 0 H GLN A 33 8.224 6.477 3.075 1.00 0.00 H new ATOM 0 HA GLN A 33 5.906 7.923 2.808 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.040 5.903 4.114 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.349 6.532 5.094 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.713 8.276 5.939 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.453 7.356 5.140 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.391 6.891 7.078 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.051 5.757 8.261 1.00 0.00 H new ATOM 510 N MET A 34 7.939 9.416 4.973 1.00 0.00 N ATOM 511 CA MET A 34 8.101 10.693 5.674 1.00 0.00 C ATOM 512 C MET A 34 8.436 11.830 4.745 1.00 0.00 C ATOM 513 O MET A 34 7.861 12.896 4.856 1.00 0.00 O ATOM 514 CB MET A 34 9.089 10.656 6.846 1.00 0.00 C ATOM 515 CG MET A 34 10.520 10.309 6.497 1.00 0.00 C ATOM 516 SD MET A 34 11.662 10.565 7.873 1.00 0.00 S ATOM 517 CE MET A 34 10.891 9.571 9.157 1.00 0.00 C ATOM 0 H MET A 34 8.656 8.718 5.169 1.00 0.00 H new ATOM 0 HA MET A 34 7.116 10.876 6.105 1.00 0.00 H new ATOM 0 HB2 MET A 34 9.081 11.631 7.333 1.00 0.00 H new ATOM 0 HB3 MET A 34 8.728 9.932 7.577 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.569 9.267 6.180 1.00 0.00 H new ATOM 0 HG3 MET A 34 10.839 10.915 5.649 1.00 0.00 H new ATOM 0 HE1 MET A 34 11.658 9.188 9.831 1.00 0.00 H new ATOM 0 HE2 MET A 34 10.188 10.185 9.719 1.00 0.00 H new ATOM 0 HE3 MET A 34 10.359 8.736 8.701 1.00 0.00 H new ATOM 527 N HIS A 35 9.333 11.600 3.813 1.00 0.00 N ATOM 528 CA HIS A 35 9.729 12.648 2.874 1.00 0.00 C ATOM 529 C HIS A 35 8.603 13.087 1.949 1.00 0.00 C ATOM 530 O HIS A 35 8.614 14.212 1.461 1.00 0.00 O ATOM 531 CB HIS A 35 10.998 12.298 2.094 1.00 0.00 C ATOM 532 CG HIS A 35 12.277 12.720 2.775 1.00 0.00 C ATOM 533 ND1 HIS A 35 13.174 13.629 2.237 1.00 0.00 N ATOM 534 CD2 HIS A 35 12.820 12.324 3.945 1.00 0.00 C ATOM 535 CE1 HIS A 35 14.204 13.744 3.067 1.00 0.00 C ATOM 536 NE2 HIS A 35 14.043 12.973 4.132 1.00 0.00 N ATOM 0 H HIS A 35 9.805 10.706 3.678 1.00 0.00 H new ATOM 0 HA HIS A 35 9.967 13.510 3.497 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.025 11.221 1.930 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.949 12.769 1.112 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.378 11.616 4.630 1.00 0.00 H new ATOM 0 HE1 HIS A 35 15.059 14.381 2.896 1.00 0.00 H new ATOM 0 HE2 HIS A 35 14.679 12.874 4.923 1.00 0.00 H new ATOM 544 N LEU A 36 7.644 12.225 1.710 1.00 0.00 N ATOM 545 CA LEU A 36 6.497 12.611 0.908 1.00 0.00 C ATOM 546 C LEU A 36 5.422 13.286 1.747 1.00 0.00 C ATOM 547 O LEU A 36 4.729 14.158 1.278 1.00 0.00 O ATOM 548 CB LEU A 36 5.898 11.421 0.168 1.00 0.00 C ATOM 549 CG LEU A 36 6.802 10.761 -0.879 1.00 0.00 C ATOM 550 CD1 LEU A 36 6.111 9.575 -1.512 1.00 0.00 C ATOM 551 CD2 LEU A 36 7.236 11.762 -1.946 1.00 0.00 C ATOM 0 H LEU A 36 7.629 11.264 2.051 1.00 0.00 H new ATOM 0 HA LEU A 36 6.865 13.328 0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.614 10.667 0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.982 11.747 -0.325 1.00 0.00 H new ATOM 0 HG LEU A 36 7.697 10.406 -0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.771 9.122 -2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.870 8.841 -0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.193 9.906 -1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.876 11.263 -2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.356 12.161 -2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.787 12.578 -1.477 1.00 0.00 H new ATOM 563 N THR A 37 5.280 12.901 2.984 1.00 0.00 N ATOM 564 CA THR A 37 4.223 13.492 3.778 1.00 0.00 C ATOM 565 C THR A 37 4.648 14.787 4.444 1.00 0.00 C ATOM 566 O THR A 37 3.813 15.617 4.818 1.00 0.00 O ATOM 567 CB THR A 37 3.696 12.507 4.816 1.00 0.00 C ATOM 568 OG1 THR A 37 4.792 12.006 5.608 1.00 0.00 O ATOM 569 CG2 THR A 37 3.051 11.355 4.123 1.00 0.00 C ATOM 0 H THR A 37 5.857 12.206 3.458 1.00 0.00 H new ATOM 0 HA THR A 37 3.417 13.735 3.085 1.00 0.00 H new ATOM 0 HB THR A 37 2.974 13.015 5.455 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.254 11.296 5.115 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.674 10.650 4.864 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.224 11.715 3.511 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.783 10.857 3.487 1.00 0.00 H new ATOM 577 N SER A 38 5.923 14.960 4.581 1.00 0.00 N ATOM 578 CA SER A 38 6.445 16.112 5.246 1.00 0.00 C ATOM 579 C SER A 38 6.691 17.281 4.306 1.00 0.00 C ATOM 580 O SER A 38 7.454 17.172 3.345 1.00 0.00 O ATOM 581 CB SER A 38 7.734 15.759 5.984 1.00 0.00 C ATOM 582 OG SER A 38 7.513 14.734 6.947 1.00 0.00 O ATOM 0 H SER A 38 6.630 14.310 4.237 1.00 0.00 H new ATOM 0 HA SER A 38 5.684 16.431 5.959 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.488 15.432 5.268 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.128 16.647 6.478 1.00 0.00 H new ATOM 0 HG SER A 38 7.568 13.858 6.511 1.00 0.00 H new ATOM 588 N PHE A 39 6.057 18.371 4.576 1.00 0.00 N ATOM 589 CA PHE A 39 6.423 19.603 3.962 1.00 0.00 C ATOM 590 C PHE A 39 7.187 20.308 5.029 1.00 0.00 C ATOM 591 O PHE A 39 6.616 20.973 5.893 1.00 0.00 O ATOM 592 CB PHE A 39 5.219 20.418 3.497 1.00 0.00 C ATOM 593 CG PHE A 39 4.412 19.745 2.427 1.00 0.00 C ATOM 594 CD1 PHE A 39 4.872 19.700 1.123 1.00 0.00 C ATOM 595 CD2 PHE A 39 3.197 19.166 2.723 1.00 0.00 C ATOM 596 CE1 PHE A 39 4.133 19.086 0.135 1.00 0.00 C ATOM 597 CE2 PHE A 39 2.455 18.553 1.744 1.00 0.00 C ATOM 598 CZ PHE A 39 2.922 18.512 0.446 1.00 0.00 C ATOM 0 H PHE A 39 5.273 18.434 5.226 1.00 0.00 H new ATOM 0 HA PHE A 39 7.000 19.449 3.050 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.575 20.619 4.353 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.566 21.382 3.126 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.822 20.151 0.876 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.824 19.195 3.736 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.503 19.056 -0.879 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.505 18.102 1.990 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.338 18.030 -0.324 1.00 0.00 H new ATOM 865 N HIS A 55 15.376 11.840 -1.974 1.00 0.00 N ATOM 866 CA HIS A 55 14.523 10.835 -1.408 1.00 0.00 C ATOM 867 C HIS A 55 14.233 9.728 -2.405 1.00 0.00 C ATOM 868 O HIS A 55 13.969 8.617 -2.023 1.00 0.00 O ATOM 869 CB HIS A 55 13.224 11.456 -0.808 1.00 0.00 C ATOM 870 CG HIS A 55 12.433 12.377 -1.725 1.00 0.00 C ATOM 871 ND1 HIS A 55 11.542 13.332 -1.282 1.00 0.00 N ATOM 872 CD2 HIS A 55 12.393 12.447 -3.071 1.00 0.00 C ATOM 873 CE1 HIS A 55 10.999 13.917 -2.340 1.00 0.00 C ATOM 874 NE2 HIS A 55 11.482 13.417 -3.459 1.00 0.00 N ATOM 0 HA HIS A 55 15.058 10.375 -0.577 1.00 0.00 H new ATOM 0 HB2 HIS A 55 12.570 10.643 -0.492 1.00 0.00 H new ATOM 0 HB3 HIS A 55 13.494 12.014 0.088 1.00 0.00 H new ATOM 0 HD2 HIS A 55 12.981 11.840 -3.744 1.00 0.00 H new ATOM 0 HE1 HIS A 55 10.258 14.701 -2.291 1.00 0.00 H new ATOM 0 HE2 HIS A 55 11.237 13.687 -4.412 1.00 0.00 H new ATOM 882 N LEU A 56 14.376 10.028 -3.684 1.00 0.00 N ATOM 883 CA LEU A 56 14.127 9.055 -4.723 1.00 0.00 C ATOM 884 C LEU A 56 15.335 8.196 -4.845 1.00 0.00 C ATOM 885 O LEU A 56 15.221 6.982 -4.884 1.00 0.00 O ATOM 886 CB LEU A 56 13.758 9.736 -6.076 1.00 0.00 C ATOM 887 CG LEU A 56 13.456 8.826 -7.315 1.00 0.00 C ATOM 888 CD1 LEU A 56 14.711 8.224 -7.951 1.00 0.00 C ATOM 889 CD2 LEU A 56 12.480 7.727 -6.953 1.00 0.00 C ATOM 0 H LEU A 56 14.665 10.945 -4.025 1.00 0.00 H new ATOM 0 HA LEU A 56 13.266 8.442 -4.457 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.882 10.362 -5.904 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.578 10.402 -6.346 1.00 0.00 H new ATOM 0 HG LEU A 56 13.008 9.481 -8.062 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.427 7.606 -8.803 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.368 9.026 -8.288 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.233 7.611 -7.216 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.286 7.109 -7.830 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.904 7.110 -6.161 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.546 8.169 -6.608 1.00 0.00 H new ATOM 901 N SER A 57 16.496 8.832 -4.849 1.00 0.00 N ATOM 902 CA SER A 57 17.770 8.152 -4.947 1.00 0.00 C ATOM 903 C SER A 57 17.902 7.131 -3.802 1.00 0.00 C ATOM 904 O SER A 57 18.496 6.076 -3.950 1.00 0.00 O ATOM 905 CB SER A 57 18.865 9.203 -4.840 1.00 0.00 C ATOM 906 OG SER A 57 18.518 10.359 -5.607 1.00 0.00 O ATOM 0 H SER A 57 16.577 9.847 -4.783 1.00 0.00 H new ATOM 0 HA SER A 57 17.850 7.618 -5.894 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.011 9.481 -3.796 1.00 0.00 H new ATOM 0 HB3 SER A 57 19.810 8.792 -5.196 1.00 0.00 H new ATOM 0 HG SER A 57 19.229 11.029 -5.529 1.00 0.00 H new ATOM 912 N LEU A 58 17.303 7.464 -2.675 1.00 0.00 N ATOM 913 CA LEU A 58 17.336 6.615 -1.510 1.00 0.00 C ATOM 914 C LEU A 58 16.188 5.602 -1.530 1.00 0.00 C ATOM 915 O LEU A 58 16.412 4.416 -1.364 1.00 0.00 O ATOM 916 CB LEU A 58 17.298 7.475 -0.249 1.00 0.00 C ATOM 917 CG LEU A 58 18.361 8.585 -0.214 1.00 0.00 C ATOM 918 CD1 LEU A 58 18.252 9.407 1.041 1.00 0.00 C ATOM 919 CD2 LEU A 58 19.758 8.008 -0.350 1.00 0.00 C ATOM 0 H LEU A 58 16.781 8.331 -2.546 1.00 0.00 H new ATOM 0 HA LEU A 58 18.264 6.044 -1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 58 16.311 7.929 -0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 58 17.431 6.832 0.621 1.00 0.00 H new ATOM 0 HG LEU A 58 18.176 9.240 -1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 58 19.017 10.183 1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 58 17.266 9.870 1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 58 18.393 8.765 1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 58 20.490 8.816 -0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 58 19.948 7.318 0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 58 19.841 7.476 -1.298 1.00 0.00 H new ATOM 931 N CYS A 59 14.970 6.077 -1.767 1.00 0.00 N ATOM 932 CA CYS A 59 13.779 5.211 -1.793 1.00 0.00 C ATOM 933 C CYS A 59 13.887 4.145 -2.889 1.00 0.00 C ATOM 934 O CYS A 59 13.729 2.966 -2.607 1.00 0.00 O ATOM 935 CB CYS A 59 12.493 6.043 -1.959 1.00 0.00 C ATOM 936 SG CYS A 59 10.927 5.097 -1.967 1.00 0.00 S ATOM 0 H CYS A 59 14.773 7.062 -1.946 1.00 0.00 H new ATOM 0 HA CYS A 59 13.726 4.696 -0.834 1.00 0.00 H new ATOM 0 HB2 CYS A 59 12.449 6.774 -1.152 1.00 0.00 H new ATOM 0 HB3 CYS A 59 12.562 6.602 -2.892 1.00 0.00 H new ATOM 941 N CYS A 60 14.223 4.563 -4.126 1.00 0.00 N ATOM 942 CA CYS A 60 14.383 3.636 -5.261 1.00 0.00 C ATOM 943 C CYS A 60 15.457 2.594 -4.956 1.00 0.00 C ATOM 944 O CYS A 60 15.324 1.435 -5.315 1.00 0.00 O ATOM 945 CB CYS A 60 14.709 4.423 -6.559 1.00 0.00 C ATOM 946 SG CYS A 60 14.938 3.428 -8.090 1.00 0.00 S ATOM 0 H CYS A 60 14.389 5.541 -4.363 1.00 0.00 H new ATOM 0 HA CYS A 60 13.443 3.106 -5.417 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.906 5.138 -6.735 1.00 0.00 H new ATOM 0 HB3 CYS A 60 15.618 5.000 -6.388 1.00 0.00 H new ATOM 951 N ASN A 61 16.452 2.997 -4.190 1.00 0.00 N ATOM 952 CA ASN A 61 17.582 2.123 -3.848 1.00 0.00 C ATOM 953 C ASN A 61 17.208 1.180 -2.718 1.00 0.00 C ATOM 954 O ASN A 61 17.738 0.091 -2.597 1.00 0.00 O ATOM 955 CB ASN A 61 18.773 2.980 -3.458 1.00 0.00 C ATOM 956 CG ASN A 61 20.049 2.212 -3.108 1.00 0.00 C ATOM 957 OD1 ASN A 61 20.321 1.134 -3.627 1.00 0.00 O ATOM 958 ND2 ASN A 61 20.866 2.791 -2.262 1.00 0.00 N ATOM 0 H ASN A 61 16.510 3.931 -3.784 1.00 0.00 H new ATOM 0 HA ASN A 61 17.843 1.515 -4.715 1.00 0.00 H new ATOM 0 HB2 ASN A 61 18.993 3.661 -4.280 1.00 0.00 H new ATOM 0 HB3 ASN A 61 18.492 3.594 -2.602 1.00 0.00 H new ATOM 0 HD21 ASN A 61 21.751 2.345 -2.022 1.00 0.00 H new ATOM 0 HD22 ASN A 61 20.616 3.687 -1.844 1.00 0.00 H new ATOM 965 N GLN A 62 16.273 1.598 -1.925 1.00 0.00 N ATOM 966 CA GLN A 62 15.820 0.822 -0.802 1.00 0.00 C ATOM 967 C GLN A 62 14.798 -0.209 -1.252 1.00 0.00 C ATOM 968 O GLN A 62 14.885 -1.384 -0.904 1.00 0.00 O ATOM 969 CB GLN A 62 15.221 1.755 0.261 1.00 0.00 C ATOM 970 CG GLN A 62 14.718 1.076 1.526 1.00 0.00 C ATOM 971 CD GLN A 62 15.825 0.523 2.400 1.00 0.00 C ATOM 972 OE1 GLN A 62 16.894 0.123 1.927 1.00 0.00 O ATOM 973 NE2 GLN A 62 15.586 0.505 3.680 1.00 0.00 N ATOM 0 H GLN A 62 15.796 2.493 -2.035 1.00 0.00 H new ATOM 0 HA GLN A 62 16.666 0.291 -0.366 1.00 0.00 H new ATOM 0 HB2 GLN A 62 15.976 2.490 0.541 1.00 0.00 H new ATOM 0 HB3 GLN A 62 14.393 2.304 -0.188 1.00 0.00 H new ATOM 0 HG2 GLN A 62 14.133 1.792 2.104 1.00 0.00 H new ATOM 0 HG3 GLN A 62 14.045 0.264 1.249 1.00 0.00 H new ATOM 0 HE21 GLN A 62 14.692 0.843 4.037 1.00 0.00 H new ATOM 0 HE22 GLN A 62 16.293 0.153 4.326 1.00 0.00 H new ATOM 982 N LEU A 63 13.863 0.230 -2.054 1.00 0.00 N ATOM 983 CA LEU A 63 12.789 -0.617 -2.520 1.00 0.00 C ATOM 984 C LEU A 63 13.329 -1.707 -3.451 1.00 0.00 C ATOM 985 O LEU A 63 12.824 -2.810 -3.484 1.00 0.00 O ATOM 986 CB LEU A 63 11.719 0.251 -3.213 1.00 0.00 C ATOM 987 CG LEU A 63 12.079 0.842 -4.570 1.00 0.00 C ATOM 988 CD1 LEU A 63 11.759 -0.105 -5.693 1.00 0.00 C ATOM 989 CD2 LEU A 63 11.407 2.164 -4.762 1.00 0.00 C ATOM 0 H LEU A 63 13.822 1.187 -2.405 1.00 0.00 H new ATOM 0 HA LEU A 63 12.325 -1.122 -1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.820 -0.353 -3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.463 1.072 -2.543 1.00 0.00 H new ATOM 0 HG LEU A 63 13.157 1.003 -4.589 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.030 0.353 -6.644 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.322 -1.029 -5.562 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.692 -0.327 -5.689 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.676 2.571 -5.737 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.326 2.034 -4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.728 2.852 -3.980 1.00 0.00 H new ATOM 1001 N GLN A 64 14.381 -1.377 -4.193 1.00 0.00 N ATOM 1002 CA GLN A 64 14.990 -2.302 -5.149 1.00 0.00 C ATOM 1003 C GLN A 64 15.733 -3.440 -4.444 1.00 0.00 C ATOM 1004 O GLN A 64 16.178 -4.394 -5.082 1.00 0.00 O ATOM 1005 CB GLN A 64 15.936 -1.568 -6.086 1.00 0.00 C ATOM 1006 CG GLN A 64 17.197 -1.092 -5.421 1.00 0.00 C ATOM 1007 CD GLN A 64 18.165 -0.469 -6.385 1.00 0.00 C ATOM 1008 OE1 GLN A 64 17.783 0.094 -7.412 1.00 0.00 O ATOM 1009 NE2 GLN A 64 19.414 -0.538 -6.060 1.00 0.00 N ATOM 0 H GLN A 64 14.836 -0.465 -4.151 1.00 0.00 H new ATOM 0 HA GLN A 64 14.179 -2.738 -5.733 1.00 0.00 H new ATOM 0 HB2 GLN A 64 16.199 -2.228 -6.913 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.416 -0.711 -6.515 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.943 -0.366 -4.649 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.679 -1.933 -4.922 1.00 0.00 H new ATOM 0 HE21 GLN A 64 19.692 -1.013 -5.201 1.00 0.00 H new ATOM 0 HE22 GLN A 64 20.122 -0.118 -6.662 1.00 0.00 H new ATOM 1018 N GLU A 65 15.890 -3.318 -3.138 1.00 0.00 N ATOM 1019 CA GLU A 65 16.512 -4.356 -2.341 1.00 0.00 C ATOM 1020 C GLU A 65 15.492 -5.461 -2.098 1.00 0.00 C ATOM 1021 O GLU A 65 15.828 -6.588 -1.684 1.00 0.00 O ATOM 1022 CB GLU A 65 16.986 -3.782 -1.017 1.00 0.00 C ATOM 1023 CG GLU A 65 18.040 -2.701 -1.148 1.00 0.00 C ATOM 1024 CD GLU A 65 19.347 -3.221 -1.662 1.00 0.00 C ATOM 1025 OE1 GLU A 65 19.559 -3.250 -2.888 1.00 0.00 O ATOM 1026 OE2 GLU A 65 20.206 -3.614 -0.839 1.00 0.00 O ATOM 0 H GLU A 65 15.592 -2.502 -2.604 1.00 0.00 H new ATOM 0 HA GLU A 65 17.375 -4.761 -2.869 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.128 -3.374 -0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.386 -4.591 -0.406 1.00 0.00 H new ATOM 0 HG2 GLU A 65 17.675 -1.924 -1.819 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.197 -2.234 -0.176 1.00 0.00 H new ATOM 1033 N VAL A 66 14.243 -5.109 -2.307 1.00 0.00 N ATOM 1034 CA VAL A 66 13.130 -6.040 -2.225 1.00 0.00 C ATOM 1035 C VAL A 66 12.999 -6.734 -3.584 1.00 0.00 C ATOM 1036 O VAL A 66 13.579 -6.280 -4.582 1.00 0.00 O ATOM 1037 CB VAL A 66 11.785 -5.297 -1.897 1.00 0.00 C ATOM 1038 CG1 VAL A 66 10.682 -6.268 -1.495 1.00 0.00 C ATOM 1039 CG2 VAL A 66 11.978 -4.240 -0.824 1.00 0.00 C ATOM 0 H VAL A 66 13.964 -4.157 -2.542 1.00 0.00 H new ATOM 0 HA VAL A 66 13.321 -6.757 -1.427 1.00 0.00 H new ATOM 0 HB VAL A 66 11.473 -4.798 -2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.770 -5.712 -1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.496 -6.965 -2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.990 -6.822 -0.608 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.027 -3.747 -0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 66 12.342 -4.711 0.089 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.704 -3.502 -1.166 1.00 0.00 H new ATOM 1049 N GLU A 67 12.297 -7.843 -3.596 1.00 0.00 N ATOM 1050 CA GLU A 67 12.009 -8.610 -4.790 1.00 0.00 C ATOM 1051 C GLU A 67 11.463 -7.755 -5.904 1.00 0.00 C ATOM 1052 O GLU A 67 10.687 -6.860 -5.651 1.00 0.00 O ATOM 1053 CB GLU A 67 10.988 -9.654 -4.456 1.00 0.00 C ATOM 1054 CG GLU A 67 11.529 -11.019 -4.584 1.00 0.00 C ATOM 1055 CD GLU A 67 11.945 -11.294 -6.013 1.00 0.00 C ATOM 1056 OE1 GLU A 67 13.152 -11.320 -6.291 1.00 0.00 O ATOM 1057 OE2 GLU A 67 11.062 -11.398 -6.894 1.00 0.00 O ATOM 0 H GLU A 67 11.898 -8.250 -2.751 1.00 0.00 H new ATOM 0 HA GLU A 67 12.945 -9.053 -5.131 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.632 -9.500 -3.437 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.127 -9.542 -5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.385 -11.141 -3.920 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.778 -11.745 -4.272 1.00 0.00 H new ATOM 1064 N LYS A 68 11.820 -8.082 -7.137 1.00 0.00 N ATOM 1065 CA LYS A 68 11.372 -7.323 -8.303 1.00 0.00 C ATOM 1066 C LYS A 68 9.854 -7.291 -8.401 1.00 0.00 C ATOM 1067 O LYS A 68 9.264 -6.295 -8.789 1.00 0.00 O ATOM 1068 CB LYS A 68 11.951 -7.877 -9.581 1.00 0.00 C ATOM 1069 CG LYS A 68 11.576 -9.285 -9.796 1.00 0.00 C ATOM 1070 CD LYS A 68 11.913 -9.755 -11.150 1.00 0.00 C ATOM 1071 CE LYS A 68 11.495 -11.156 -11.223 1.00 0.00 C ATOM 1072 NZ LYS A 68 11.670 -11.744 -12.560 1.00 0.00 N ATOM 0 H LYS A 68 12.423 -8.874 -7.360 1.00 0.00 H new ATOM 0 HA LYS A 68 11.734 -6.304 -8.169 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.606 -7.278 -10.424 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.037 -7.792 -9.553 1.00 0.00 H new ATOM 0 HG2 LYS A 68 12.083 -9.910 -9.061 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.505 -9.402 -9.630 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.402 -9.158 -11.906 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.982 -9.659 -11.338 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.067 -11.737 -10.500 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.447 -11.231 -10.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.357 -12.736 -12.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.104 -11.211 -13.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.674 -11.702 -12.829 1.00 0.00 H new ATOM 1086 N GLN A 69 9.229 -8.365 -7.977 1.00 0.00 N ATOM 1087 CA GLN A 69 7.795 -8.491 -8.043 1.00 0.00 C ATOM 1088 C GLN A 69 7.148 -7.730 -6.887 1.00 0.00 C ATOM 1089 O GLN A 69 5.963 -7.504 -6.877 1.00 0.00 O ATOM 1090 CB GLN A 69 7.413 -9.975 -7.994 1.00 0.00 C ATOM 1091 CG GLN A 69 7.735 -10.648 -6.666 1.00 0.00 C ATOM 1092 CD GLN A 69 7.546 -12.138 -6.699 1.00 0.00 C ATOM 1093 OE1 GLN A 69 6.454 -12.647 -6.445 1.00 0.00 O ATOM 1094 NE2 GLN A 69 8.614 -12.847 -6.944 1.00 0.00 N ATOM 0 H GLN A 69 9.702 -9.175 -7.577 1.00 0.00 H new ATOM 0 HA GLN A 69 7.434 -8.063 -8.978 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.345 -10.073 -8.191 1.00 0.00 H new ATOM 0 HB3 GLN A 69 7.934 -10.502 -8.794 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.766 -10.425 -6.393 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.100 -10.224 -5.888 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.498 -12.382 -7.150 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.564 -13.866 -6.930 1.00 0.00 H new ATOM 1103 N CYS A 70 7.961 -7.316 -5.938 1.00 0.00 N ATOM 1104 CA CYS A 70 7.473 -6.661 -4.746 1.00 0.00 C ATOM 1105 C CYS A 70 7.976 -5.214 -4.640 1.00 0.00 C ATOM 1106 O CYS A 70 7.527 -4.461 -3.783 1.00 0.00 O ATOM 1107 CB CYS A 70 7.889 -7.468 -3.519 1.00 0.00 C ATOM 1108 SG CYS A 70 7.325 -9.215 -3.532 1.00 0.00 S ATOM 0 H CYS A 70 8.975 -7.424 -5.972 1.00 0.00 H new ATOM 0 HA CYS A 70 6.385 -6.615 -4.802 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.976 -7.451 -3.439 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.496 -6.979 -2.628 1.00 0.00 H new ATOM 1113 N GLN A 71 8.908 -4.843 -5.508 1.00 0.00 N ATOM 1114 CA GLN A 71 9.475 -3.488 -5.556 1.00 0.00 C ATOM 1115 C GLN A 71 8.412 -2.429 -5.764 1.00 0.00 C ATOM 1116 O GLN A 71 8.352 -1.455 -5.025 1.00 0.00 O ATOM 1117 CB GLN A 71 10.558 -3.399 -6.624 1.00 0.00 C ATOM 1118 CG GLN A 71 11.856 -4.037 -6.195 1.00 0.00 C ATOM 1119 CD GLN A 71 12.923 -4.045 -7.261 1.00 0.00 C ATOM 1120 OE1 GLN A 71 12.965 -3.180 -8.143 1.00 0.00 O ATOM 1121 NE2 GLN A 71 13.824 -4.976 -7.155 1.00 0.00 N ATOM 0 H GLN A 71 9.300 -5.474 -6.207 1.00 0.00 H new ATOM 0 HA GLN A 71 9.929 -3.290 -4.585 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.204 -3.882 -7.535 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.736 -2.352 -6.868 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.236 -3.509 -5.320 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.659 -5.064 -5.886 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.753 -5.672 -6.413 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.602 -5.011 -7.814 1.00 0.00 H new ATOM 1130 N CYS A 72 7.552 -2.617 -6.739 1.00 0.00 N ATOM 1131 CA CYS A 72 6.489 -1.662 -6.943 1.00 0.00 C ATOM 1132 C CYS A 72 5.392 -1.825 -5.935 1.00 0.00 C ATOM 1133 O CYS A 72 4.658 -0.881 -5.652 1.00 0.00 O ATOM 1134 CB CYS A 72 5.941 -1.689 -8.338 1.00 0.00 C ATOM 1135 SG CYS A 72 5.290 -3.276 -8.908 1.00 0.00 S ATOM 0 H CYS A 72 7.566 -3.403 -7.389 1.00 0.00 H new ATOM 0 HA CYS A 72 6.939 -0.680 -6.798 1.00 0.00 H new ATOM 0 HB2 CYS A 72 5.146 -0.947 -8.408 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.730 -1.376 -9.022 1.00 0.00 H new ATOM 1140 N GLU A 73 5.287 -3.010 -5.377 1.00 0.00 N ATOM 1141 CA GLU A 73 4.293 -3.277 -4.379 1.00 0.00 C ATOM 1142 C GLU A 73 4.622 -2.446 -3.121 1.00 0.00 C ATOM 1143 O GLU A 73 3.728 -1.939 -2.437 1.00 0.00 O ATOM 1144 CB GLU A 73 4.280 -4.755 -4.027 1.00 0.00 C ATOM 1145 CG GLU A 73 4.024 -5.713 -5.194 1.00 0.00 C ATOM 1146 CD GLU A 73 2.603 -5.752 -5.692 1.00 0.00 C ATOM 1147 OE1 GLU A 73 2.295 -5.093 -6.704 1.00 0.00 O ATOM 1148 OE2 GLU A 73 1.791 -6.509 -5.115 1.00 0.00 O ATOM 0 H GLU A 73 5.885 -3.805 -5.604 1.00 0.00 H new ATOM 0 HA GLU A 73 3.310 -3.005 -4.763 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.238 -5.010 -3.575 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.515 -4.922 -3.269 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.675 -5.433 -6.022 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.312 -6.719 -4.888 1.00 0.00 H new ATOM 1155 N ALA A 74 5.932 -2.281 -2.851 1.00 0.00 N ATOM 1156 CA ALA A 74 6.422 -1.498 -1.740 1.00 0.00 C ATOM 1157 C ALA A 74 5.974 -0.053 -1.848 1.00 0.00 C ATOM 1158 O ALA A 74 5.787 0.616 -0.848 1.00 0.00 O ATOM 1159 CB ALA A 74 7.937 -1.579 -1.669 1.00 0.00 C ATOM 0 H ALA A 74 6.673 -2.699 -3.414 1.00 0.00 H new ATOM 0 HA ALA A 74 6.002 -1.911 -0.823 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.294 -0.985 -0.828 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.240 -2.617 -1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.366 -1.193 -2.594 1.00 0.00 H new ATOM 1165 N ILE A 75 5.735 0.394 -3.067 1.00 0.00 N ATOM 1166 CA ILE A 75 5.321 1.764 -3.307 1.00 0.00 C ATOM 1167 C ILE A 75 3.884 1.945 -2.860 1.00 0.00 C ATOM 1168 O ILE A 75 3.479 3.021 -2.437 1.00 0.00 O ATOM 1169 CB ILE A 75 5.386 2.149 -4.803 1.00 0.00 C ATOM 1170 CG1 ILE A 75 6.682 1.684 -5.451 1.00 0.00 C ATOM 1171 CG2 ILE A 75 5.243 3.642 -4.952 1.00 0.00 C ATOM 1172 CD1 ILE A 75 7.928 2.209 -4.816 1.00 0.00 C ATOM 0 H ILE A 75 5.821 -0.174 -3.910 1.00 0.00 H new ATOM 0 HA ILE A 75 6.007 2.400 -2.747 1.00 0.00 H new ATOM 0 HB ILE A 75 4.563 1.647 -5.313 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.712 0.595 -5.428 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.673 1.981 -6.500 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.289 3.908 -6.008 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.285 3.959 -4.540 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.051 4.140 -4.416 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.798 1.822 -5.347 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.929 3.298 -4.862 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.968 1.890 -3.774 1.00 0.00 H new ATOM 1184 N LYS A 76 3.135 0.857 -2.876 1.00 0.00 N ATOM 1185 CA LYS A 76 1.718 0.922 -2.583 1.00 0.00 C ATOM 1186 C LYS A 76 1.615 1.081 -1.100 1.00 0.00 C ATOM 1187 O LYS A 76 0.856 1.892 -0.575 1.00 0.00 O ATOM 1188 CB LYS A 76 1.032 -0.379 -3.028 1.00 0.00 C ATOM 1189 CG LYS A 76 1.411 -0.843 -4.445 1.00 0.00 C ATOM 1190 CD LYS A 76 1.026 0.156 -5.529 1.00 0.00 C ATOM 1191 CE LYS A 76 -0.474 0.272 -5.681 1.00 0.00 C ATOM 1192 NZ LYS A 76 -1.094 -1.012 -6.058 1.00 0.00 N ATOM 0 H LYS A 76 3.484 -0.078 -3.088 1.00 0.00 H new ATOM 0 HA LYS A 76 1.233 1.745 -3.107 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.284 -1.169 -2.320 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.048 -0.241 -2.981 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.486 -1.018 -4.487 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.924 -1.797 -4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.443 1.133 -5.287 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.465 -0.151 -6.478 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.907 0.622 -4.744 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.704 1.022 -6.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.044 -0.839 -6.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.508 -1.482 -6.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.167 -1.622 -5.219 1.00 0.00 H new ATOM 1206 N GLN A 77 2.504 0.362 -0.459 1.00 0.00 N ATOM 1207 CA GLN A 77 2.670 0.336 0.973 1.00 0.00 C ATOM 1208 C GLN A 77 2.955 1.733 1.459 1.00 0.00 C ATOM 1209 O GLN A 77 2.338 2.183 2.426 1.00 0.00 O ATOM 1210 CB GLN A 77 3.842 -0.563 1.299 1.00 0.00 C ATOM 1211 CG GLN A 77 3.693 -1.948 0.688 1.00 0.00 C ATOM 1212 CD GLN A 77 2.738 -2.856 1.428 1.00 0.00 C ATOM 1213 OE1 GLN A 77 2.695 -2.757 2.732 1.00 0.00 O flip ATOM 1214 NE2 GLN A 77 2.077 -3.689 0.822 1.00 0.00 N flip ATOM 0 H GLN A 77 3.161 -0.249 -0.944 1.00 0.00 H new ATOM 0 HA GLN A 77 1.767 -0.037 1.457 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.761 -0.104 0.935 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.938 -0.654 2.381 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.351 -1.843 -0.342 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.673 -2.423 0.652 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.132 -3.742 -0.195 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.471 -4.330 1.334 1.00 0.00 H new ATOM 1223 N VAL A 78 3.860 2.437 0.730 1.00 0.00 N ATOM 1224 CA VAL A 78 4.225 3.811 1.059 1.00 0.00 C ATOM 1225 C VAL A 78 2.985 4.673 1.082 1.00 0.00 C ATOM 1226 O VAL A 78 2.762 5.405 2.025 1.00 0.00 O ATOM 1227 CB VAL A 78 5.204 4.477 0.041 1.00 0.00 C ATOM 1228 CG1 VAL A 78 5.667 5.822 0.552 1.00 0.00 C ATOM 1229 CG2 VAL A 78 6.380 3.611 -0.288 1.00 0.00 C ATOM 0 H VAL A 78 4.342 2.062 -0.087 1.00 0.00 H new ATOM 0 HA VAL A 78 4.723 3.749 2.026 1.00 0.00 H new ATOM 0 HB VAL A 78 4.645 4.615 -0.885 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.348 6.271 -0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.805 6.474 0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.182 5.692 1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.024 4.127 -1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.941 3.399 0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.032 2.676 -0.726 1.00 0.00 H new ATOM 1239 N VAL A 79 2.148 4.528 0.061 1.00 0.00 N ATOM 1240 CA VAL A 79 0.972 5.368 -0.075 1.00 0.00 C ATOM 1241 C VAL A 79 0.021 5.074 1.060 1.00 0.00 C ATOM 1242 O VAL A 79 -0.427 5.979 1.762 1.00 0.00 O ATOM 1243 CB VAL A 79 0.235 5.130 -1.421 1.00 0.00 C ATOM 1244 CG1 VAL A 79 -0.929 6.103 -1.579 1.00 0.00 C ATOM 1245 CG2 VAL A 79 1.192 5.236 -2.597 1.00 0.00 C ATOM 0 H VAL A 79 2.264 3.838 -0.681 1.00 0.00 H new ATOM 0 HA VAL A 79 1.302 6.407 -0.051 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.167 4.117 -1.409 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.431 5.918 -2.529 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.636 5.961 -0.761 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.553 7.126 -1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.648 5.065 -3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.637 6.231 -2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.979 4.489 -2.494 1.00 0.00 H new ATOM 1255 N GLU A 80 -0.195 3.794 1.279 1.00 0.00 N ATOM 1256 CA GLU A 80 -1.119 3.303 2.275 1.00 0.00 C ATOM 1257 C GLU A 80 -0.737 3.795 3.683 1.00 0.00 C ATOM 1258 O GLU A 80 -1.601 4.216 4.451 1.00 0.00 O ATOM 1259 CB GLU A 80 -1.171 1.766 2.208 1.00 0.00 C ATOM 1260 CG GLU A 80 -2.215 1.116 3.100 1.00 0.00 C ATOM 1261 CD GLU A 80 -2.232 -0.391 2.972 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -1.475 -1.069 3.702 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -3.025 -0.929 2.149 1.00 0.00 O ATOM 0 H GLU A 80 0.276 3.054 0.759 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.113 3.698 2.064 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.362 1.469 1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.191 1.373 2.477 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.020 1.387 4.138 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.200 1.510 2.847 1.00 0.00 H new ATOM 1270 N GLN A 81 0.560 3.799 3.982 1.00 0.00 N ATOM 1271 CA GLN A 81 1.046 4.203 5.300 1.00 0.00 C ATOM 1272 C GLN A 81 1.144 5.738 5.414 1.00 0.00 C ATOM 1273 O GLN A 81 0.931 6.316 6.484 1.00 0.00 O ATOM 1274 CB GLN A 81 2.407 3.528 5.608 1.00 0.00 C ATOM 1275 CG GLN A 81 3.566 3.994 4.732 1.00 0.00 C ATOM 1276 CD GLN A 81 4.798 3.121 4.846 1.00 0.00 C ATOM 1277 OE1 GLN A 81 4.968 2.177 4.096 1.00 0.00 O ATOM 1278 NE2 GLN A 81 5.657 3.419 5.776 1.00 0.00 N ATOM 0 H GLN A 81 1.295 3.527 3.329 1.00 0.00 H new ATOM 0 HA GLN A 81 0.325 3.867 6.045 1.00 0.00 H new ATOM 0 HB2 GLN A 81 2.661 3.715 6.651 1.00 0.00 H new ATOM 0 HB3 GLN A 81 2.295 2.450 5.495 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.240 4.014 3.692 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.828 5.016 5.004 1.00 0.00 H new ATOM 0 HE21 GLN A 81 5.488 4.216 6.390 1.00 0.00 H new ATOM 0 HE22 GLN A 81 6.500 2.856 5.891 1.00 0.00 H new ATOM 1287 N ALA A 82 1.425 6.385 4.309 1.00 0.00 N ATOM 1288 CA ALA A 82 1.596 7.822 4.277 1.00 0.00 C ATOM 1289 C ALA A 82 0.257 8.555 4.305 1.00 0.00 C ATOM 1290 O ALA A 82 0.145 9.645 4.854 1.00 0.00 O ATOM 1291 CB ALA A 82 2.404 8.216 3.054 1.00 0.00 C ATOM 0 H ALA A 82 1.542 5.931 3.403 1.00 0.00 H new ATOM 0 HA ALA A 82 2.139 8.119 5.174 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.530 9.299 3.034 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.383 7.737 3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.881 7.895 2.153 1.00 0.00 H new ATOM 1297 N GLN A 83 -0.755 7.954 3.744 1.00 0.00 N ATOM 1298 CA GLN A 83 -2.057 8.579 3.708 1.00 0.00 C ATOM 1299 C GLN A 83 -2.754 8.385 5.048 1.00 0.00 C ATOM 1300 O GLN A 83 -3.446 9.277 5.534 1.00 0.00 O ATOM 1301 CB GLN A 83 -2.919 8.027 2.547 1.00 0.00 C ATOM 1302 CG GLN A 83 -3.390 6.584 2.722 1.00 0.00 C ATOM 1303 CD GLN A 83 -4.105 6.041 1.510 1.00 0.00 C ATOM 1304 OE1 GLN A 83 -3.496 5.433 0.633 1.00 0.00 O ATOM 1305 NE2 GLN A 83 -5.383 6.274 1.430 1.00 0.00 N ATOM 0 H GLN A 83 -0.709 7.034 3.305 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.925 9.646 3.528 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -3.793 8.667 2.428 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.345 8.096 1.623 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.530 5.952 2.942 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.055 6.528 3.584 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.857 6.782 2.177 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -5.911 5.948 0.620 1.00 0.00 H new ATOM 1314 N LYS A 84 -2.498 7.241 5.679 1.00 0.00 N ATOM 1315 CA LYS A 84 -3.154 6.900 6.915 1.00 0.00 C ATOM 1316 C LYS A 84 -2.589 7.722 8.057 1.00 0.00 C ATOM 1317 O LYS A 84 -3.317 8.112 8.958 1.00 0.00 O ATOM 1318 CB LYS A 84 -3.088 5.366 7.181 1.00 0.00 C ATOM 1319 CG LYS A 84 -1.707 4.793 7.531 1.00 0.00 C ATOM 1320 CD LYS A 84 -1.399 4.886 9.015 1.00 0.00 C ATOM 1321 CE LYS A 84 -2.252 3.913 9.822 1.00 0.00 C ATOM 1322 NZ LYS A 84 -2.045 4.044 11.275 1.00 0.00 N ATOM 0 H LYS A 84 -1.837 6.540 5.344 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.212 7.150 6.835 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.772 5.131 7.996 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.458 4.849 6.295 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.660 3.750 7.218 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.942 5.329 6.970 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.343 4.673 9.183 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.578 5.904 9.362 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -3.304 4.082 9.593 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.019 2.893 9.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.720 3.434 11.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.074 3.758 11.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.194 5.033 11.559 1.00 0.00 H new ATOM 1336 N GLN A 85 -1.292 8.031 7.984 1.00 0.00 N ATOM 1337 CA GLN A 85 -0.635 8.792 9.037 1.00 0.00 C ATOM 1338 C GLN A 85 -1.176 10.232 9.076 1.00 0.00 C ATOM 1339 O GLN A 85 -1.271 10.847 10.137 1.00 0.00 O ATOM 1340 CB GLN A 85 0.883 8.799 8.853 1.00 0.00 C ATOM 1341 CG GLN A 85 1.337 9.576 7.652 1.00 0.00 C ATOM 1342 CD GLN A 85 2.806 9.808 7.606 1.00 0.00 C ATOM 1343 OE1 GLN A 85 3.538 9.037 7.050 1.00 0.00 O ATOM 1344 NE2 GLN A 85 3.246 10.871 8.197 1.00 0.00 N ATOM 0 H GLN A 85 -0.683 7.766 7.210 1.00 0.00 H new ATOM 0 HA GLN A 85 -0.856 8.307 9.988 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.347 9.220 9.745 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.235 7.771 8.765 1.00 0.00 H new ATOM 0 HG2 GLN A 85 1.035 9.043 6.751 1.00 0.00 H new ATOM 0 HG3 GLN A 85 0.826 10.539 7.640 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.594 11.504 8.660 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.245 11.076 8.200 1.00 0.00 H new ATOM 1353 N LEU A 86 -1.542 10.749 7.916 1.00 0.00 N ATOM 1354 CA LEU A 86 -2.110 12.078 7.830 1.00 0.00 C ATOM 1355 C LEU A 86 -3.610 12.050 8.105 1.00 0.00 C ATOM 1356 O LEU A 86 -4.174 13.005 8.638 1.00 0.00 O ATOM 1357 CB LEU A 86 -1.760 12.756 6.484 1.00 0.00 C ATOM 1358 CG LEU A 86 -0.495 13.638 6.458 1.00 0.00 C ATOM 1359 CD1 LEU A 86 -0.620 14.796 7.425 1.00 0.00 C ATOM 1360 CD2 LEU A 86 0.748 12.865 6.767 1.00 0.00 C ATOM 0 H LEU A 86 -1.455 10.266 7.022 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.659 12.693 8.609 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.646 11.977 5.730 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.609 13.370 6.182 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.410 14.020 5.441 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.285 15.402 7.386 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.478 15.409 7.150 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.757 14.413 8.436 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.609 13.533 6.736 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.666 12.426 7.761 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.876 12.073 6.030 1.00 0.00 H new ATOM 1372 N GLN A 87 -4.237 10.932 7.782 1.00 0.00 N ATOM 1373 CA GLN A 87 -5.657 10.726 8.033 1.00 0.00 C ATOM 1374 C GLN A 87 -5.930 10.663 9.539 1.00 0.00 C ATOM 1375 O GLN A 87 -6.923 11.206 10.031 1.00 0.00 O ATOM 1376 CB GLN A 87 -6.117 9.427 7.371 1.00 0.00 C ATOM 1377 CG GLN A 87 -7.592 9.130 7.545 1.00 0.00 C ATOM 1378 CD GLN A 87 -7.999 7.812 6.932 1.00 0.00 C ATOM 1379 OE1 GLN A 87 -7.419 7.353 5.943 1.00 0.00 O ATOM 1380 NE2 GLN A 87 -8.973 7.175 7.523 1.00 0.00 N ATOM 0 H GLN A 87 -3.776 10.138 7.337 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.211 11.564 7.611 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.891 9.475 6.306 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.540 8.599 7.782 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -7.833 9.121 8.608 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.175 9.932 7.092 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -9.430 7.584 8.338 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.278 6.268 7.170 1.00 0.00 H new ATOM 1389 N GLN A 88 -5.019 10.034 10.267 1.00 0.00 N ATOM 1390 CA GLN A 88 -5.165 9.857 11.716 1.00 0.00 C ATOM 1391 C GLN A 88 -4.784 11.127 12.464 1.00 0.00 C ATOM 1392 O GLN A 88 -4.909 11.215 13.688 1.00 0.00 O ATOM 1393 CB GLN A 88 -4.319 8.679 12.203 1.00 0.00 C ATOM 1394 CG GLN A 88 -2.828 8.872 12.003 1.00 0.00 C ATOM 1395 CD GLN A 88 -1.986 7.680 12.405 1.00 0.00 C ATOM 1396 OE1 GLN A 88 -2.423 6.529 12.337 1.00 0.00 O ATOM 1397 NE2 GLN A 88 -0.765 7.941 12.793 1.00 0.00 N ATOM 0 H GLN A 88 -4.164 9.633 9.881 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.213 9.642 11.923 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -4.516 8.516 13.263 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.633 7.777 11.678 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.640 9.097 10.953 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.506 9.740 12.578 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.439 8.907 12.837 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.138 7.179 13.052 1.00 0.00 H new ATOM 1406 N GLY A 89 -4.316 12.092 11.727 1.00 0.00 N ATOM 1407 CA GLY A 89 -3.938 13.342 12.299 1.00 0.00 C ATOM 1408 C GLY A 89 -5.057 14.345 12.201 1.00 0.00 C ATOM 1409 O GLY A 89 -6.225 14.026 12.468 1.00 0.00 O ATOM 0 H GLY A 89 -4.188 12.031 10.717 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.665 13.199 13.344 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.055 13.727 11.788 1.00 0.00 H new ATOM 1413 N GLN A 90 -4.720 15.527 11.787 1.00 0.00 N ATOM 1414 CA GLN A 90 -5.672 16.618 11.672 1.00 0.00 C ATOM 1415 C GLN A 90 -6.253 16.645 10.271 1.00 0.00 C ATOM 1416 O GLN A 90 -7.471 16.677 10.076 1.00 0.00 O ATOM 1417 CB GLN A 90 -4.963 17.948 11.952 1.00 0.00 C ATOM 1418 CG GLN A 90 -4.330 18.043 13.331 1.00 0.00 C ATOM 1419 CD GLN A 90 -5.350 18.030 14.446 1.00 0.00 C ATOM 1420 OE1 GLN A 90 -6.472 18.507 14.285 1.00 0.00 O ATOM 1421 NE2 GLN A 90 -4.988 17.475 15.567 1.00 0.00 N ATOM 0 H GLN A 90 -3.770 15.777 11.514 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.475 16.471 12.395 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -4.189 18.099 11.199 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -5.681 18.760 11.838 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.639 17.211 13.467 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.742 18.959 13.393 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -4.049 17.089 15.665 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.644 17.426 16.347 1.00 0.00 H new ATOM 1430 N GLY A 91 -5.371 16.599 9.321 1.00 0.00 N ATOM 1431 CA GLY A 91 -5.697 16.676 7.932 1.00 0.00 C ATOM 1432 C GLY A 91 -4.421 16.635 7.175 1.00 0.00 C ATOM 1433 O GLY A 91 -3.444 16.090 7.686 1.00 0.00 O ATOM 0 H GLY A 91 -4.371 16.504 9.498 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.342 15.847 7.642 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.242 17.595 7.716 1.00 0.00 H new ATOM 1437 N GLY A 92 -4.386 17.213 6.004 1.00 0.00 N ATOM 1438 CA GLY A 92 -3.170 17.229 5.251 1.00 0.00 C ATOM 1439 C GLY A 92 -3.262 16.382 4.032 1.00 0.00 C ATOM 1440 O GLY A 92 -2.584 16.634 3.073 1.00 0.00 O ATOM 0 H GLY A 92 -5.179 17.674 5.558 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.934 18.254 4.964 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.350 16.876 5.877 1.00 0.00 H new ATOM 1444 N GLN A 93 -4.155 15.419 4.058 1.00 0.00 N ATOM 1445 CA GLN A 93 -4.371 14.455 2.961 1.00 0.00 C ATOM 1446 C GLN A 93 -4.530 15.146 1.598 1.00 0.00 C ATOM 1447 O GLN A 93 -4.086 14.629 0.581 1.00 0.00 O ATOM 1448 CB GLN A 93 -5.607 13.606 3.243 1.00 0.00 C ATOM 1449 CG GLN A 93 -5.529 12.781 4.512 1.00 0.00 C ATOM 1450 CD GLN A 93 -6.805 12.011 4.770 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -6.967 10.873 4.327 1.00 0.00 O ATOM 1452 NE2 GLN A 93 -7.719 12.616 5.473 1.00 0.00 N ATOM 0 H GLN A 93 -4.775 15.266 4.854 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.484 13.823 2.914 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.476 14.261 3.304 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.772 12.936 2.399 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.694 12.084 4.440 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -5.325 13.437 5.358 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.551 13.559 5.824 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.603 12.147 5.672 1.00 0.00 H new ATOM 1461 N GLN A 94 -5.141 16.314 1.596 1.00 0.00 N ATOM 1462 CA GLN A 94 -5.336 17.078 0.371 1.00 0.00 C ATOM 1463 C GLN A 94 -4.031 17.756 -0.094 1.00 0.00 C ATOM 1464 O GLN A 94 -3.711 17.750 -1.278 1.00 0.00 O ATOM 1465 CB GLN A 94 -6.424 18.134 0.563 1.00 0.00 C ATOM 1466 CG GLN A 94 -6.109 19.139 1.657 1.00 0.00 C ATOM 1467 CD GLN A 94 -7.150 20.221 1.779 1.00 0.00 C ATOM 1468 OE1 GLN A 94 -8.322 20.005 1.489 1.00 0.00 O ATOM 1469 NE2 GLN A 94 -6.744 21.377 2.204 1.00 0.00 N ATOM 0 H GLN A 94 -5.515 16.761 2.433 1.00 0.00 H new ATOM 0 HA GLN A 94 -5.647 16.374 -0.401 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.572 18.667 -0.377 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.365 17.636 0.798 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.023 18.616 2.609 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.140 19.596 1.455 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -5.761 21.519 2.435 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -7.408 22.144 2.307 1.00 0.00 H new ATOM 1478 N GLN A 95 -3.271 18.296 0.848 1.00 0.00 N ATOM 1479 CA GLN A 95 -2.075 19.040 0.517 1.00 0.00 C ATOM 1480 C GLN A 95 -0.942 18.081 0.231 1.00 0.00 C ATOM 1481 O GLN A 95 -0.252 18.199 -0.763 1.00 0.00 O ATOM 1482 CB GLN A 95 -1.712 20.037 1.634 1.00 0.00 C ATOM 1483 CG GLN A 95 -1.337 19.422 2.957 1.00 0.00 C ATOM 1484 CD GLN A 95 -1.095 20.431 4.047 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -2.012 20.796 4.780 1.00 0.00 O ATOM 1486 NE2 GLN A 95 0.106 20.919 4.141 1.00 0.00 N ATOM 0 H GLN A 95 -3.466 18.230 1.847 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.261 19.629 -0.381 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.881 20.653 1.291 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.560 20.704 1.791 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.131 18.745 3.271 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.438 18.820 2.826 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.841 20.590 3.514 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.314 21.631 4.842 1.00 0.00 H new ATOM 1495 N VAL A 96 -0.825 17.095 1.091 1.00 0.00 N ATOM 1496 CA VAL A 96 0.156 16.028 1.003 1.00 0.00 C ATOM 1497 C VAL A 96 -0.060 15.199 -0.255 1.00 0.00 C ATOM 1498 O VAL A 96 0.874 14.577 -0.768 1.00 0.00 O ATOM 1499 CB VAL A 96 0.118 15.126 2.284 1.00 0.00 C ATOM 1500 CG1 VAL A 96 1.091 13.975 2.197 1.00 0.00 C ATOM 1501 CG2 VAL A 96 0.392 15.956 3.538 1.00 0.00 C ATOM 0 H VAL A 96 -1.433 17.008 1.905 1.00 0.00 H new ATOM 0 HA VAL A 96 1.146 16.481 0.943 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.885 14.705 2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.030 13.377 3.106 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.843 13.353 1.337 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.104 14.362 2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.361 15.310 4.416 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.377 16.417 3.461 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.366 16.733 3.633 1.00 0.00 H new ATOM 1511 N GLN A 97 -1.288 15.238 -0.782 1.00 0.00 N ATOM 1512 CA GLN A 97 -1.646 14.493 -1.986 1.00 0.00 C ATOM 1513 C GLN A 97 -0.695 14.818 -3.143 1.00 0.00 C ATOM 1514 O GLN A 97 -0.326 13.939 -3.895 1.00 0.00 O ATOM 1515 CB GLN A 97 -3.075 14.789 -2.400 1.00 0.00 C ATOM 1516 CG GLN A 97 -3.570 13.946 -3.563 1.00 0.00 C ATOM 1517 CD GLN A 97 -4.998 14.252 -3.930 1.00 0.00 C ATOM 1518 OE1 GLN A 97 -5.933 13.642 -3.421 1.00 0.00 O ATOM 1519 NE2 GLN A 97 -5.177 15.188 -4.803 1.00 0.00 N ATOM 0 H GLN A 97 -2.054 15.783 -0.387 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.558 13.432 -1.751 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.731 14.629 -1.544 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.153 15.842 -2.669 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -2.931 14.117 -4.429 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.483 12.890 -3.306 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -4.374 15.672 -5.204 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -6.122 15.443 -5.091 1.00 0.00 H new ATOM 1528 N GLN A 98 -0.244 16.075 -3.214 1.00 0.00 N ATOM 1529 CA GLN A 98 0.655 16.532 -4.288 1.00 0.00 C ATOM 1530 C GLN A 98 2.047 15.905 -4.150 1.00 0.00 C ATOM 1531 O GLN A 98 2.844 15.920 -5.085 1.00 0.00 O ATOM 1532 CB GLN A 98 0.785 18.059 -4.296 1.00 0.00 C ATOM 1533 CG GLN A 98 1.579 18.617 -3.138 1.00 0.00 C ATOM 1534 CD GLN A 98 1.602 20.118 -3.117 1.00 0.00 C ATOM 1535 OE1 GLN A 98 2.475 20.751 -3.709 1.00 0.00 O ATOM 1536 NE2 GLN A 98 0.666 20.698 -2.433 1.00 0.00 N ATOM 0 H GLN A 98 -0.486 16.800 -2.538 1.00 0.00 H new ATOM 0 HA GLN A 98 0.212 16.211 -5.231 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.257 18.368 -5.229 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.213 18.498 -4.283 1.00 0.00 H new ATOM 0 HG2 GLN A 98 1.154 18.252 -2.203 1.00 0.00 H new ATOM 0 HG3 GLN A 98 2.602 18.243 -3.191 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.040 20.137 -1.956 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.635 21.716 -2.371 1.00 0.00 H new ATOM 1545 N MET A 99 2.342 15.390 -2.994 1.00 0.00 N ATOM 1546 CA MET A 99 3.642 14.838 -2.751 1.00 0.00 C ATOM 1547 C MET A 99 3.572 13.337 -2.799 1.00 0.00 C ATOM 1548 O MET A 99 4.403 12.695 -3.405 1.00 0.00 O ATOM 1549 CB MET A 99 4.150 15.291 -1.414 1.00 0.00 C ATOM 1550 CG MET A 99 5.629 15.598 -1.378 1.00 0.00 C ATOM 1551 SD MET A 99 6.086 16.954 -2.479 1.00 0.00 S ATOM 1552 CE MET A 99 7.826 17.114 -2.094 1.00 0.00 C ATOM 0 H MET A 99 1.700 15.340 -2.203 1.00 0.00 H new ATOM 0 HA MET A 99 4.330 15.186 -3.522 1.00 0.00 H new ATOM 0 HB2 MET A 99 3.599 16.182 -1.113 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.934 14.518 -0.676 1.00 0.00 H new ATOM 0 HG2 MET A 99 5.919 15.850 -0.358 1.00 0.00 H new ATOM 0 HG3 MET A 99 6.188 14.705 -1.657 1.00 0.00 H new ATOM 0 HE1 MET A 99 8.259 17.914 -2.694 1.00 0.00 H new ATOM 0 HE2 MET A 99 7.945 17.349 -1.036 1.00 0.00 H new ATOM 0 HE3 MET A 99 8.336 16.177 -2.317 1.00 0.00 H new ATOM 1562 N VAL A 100 2.565 12.779 -2.182 1.00 0.00 N ATOM 1563 CA VAL A 100 2.382 11.338 -2.207 1.00 0.00 C ATOM 1564 C VAL A 100 2.043 10.846 -3.639 1.00 0.00 C ATOM 1565 O VAL A 100 2.308 9.707 -3.994 1.00 0.00 O ATOM 1566 CB VAL A 100 1.355 10.845 -1.141 1.00 0.00 C ATOM 1567 CG1 VAL A 100 -0.003 11.448 -1.358 1.00 0.00 C ATOM 1568 CG2 VAL A 100 1.277 9.332 -1.099 1.00 0.00 C ATOM 0 H VAL A 100 1.857 13.291 -1.656 1.00 0.00 H new ATOM 0 HA VAL A 100 3.332 10.884 -1.926 1.00 0.00 H new ATOM 0 HB VAL A 100 1.716 11.186 -0.171 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.690 11.081 -0.596 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.066 12.534 -1.291 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.372 11.168 -2.345 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.552 9.026 -0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.967 8.956 -2.074 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.256 8.924 -0.847 1.00 0.00 H new ATOM 1578 N LYS A 101 1.499 11.738 -4.475 1.00 0.00 N ATOM 1579 CA LYS A 101 1.221 11.409 -5.881 1.00 0.00 C ATOM 1580 C LYS A 101 2.510 11.120 -6.648 1.00 0.00 C ATOM 1581 O LYS A 101 2.496 10.464 -7.676 1.00 0.00 O ATOM 1582 CB LYS A 101 0.383 12.510 -6.572 1.00 0.00 C ATOM 1583 CG LYS A 101 1.021 13.902 -6.653 1.00 0.00 C ATOM 1584 CD LYS A 101 2.011 14.078 -7.799 1.00 0.00 C ATOM 1585 CE LYS A 101 1.302 14.125 -9.132 1.00 0.00 C ATOM 1586 NZ LYS A 101 2.238 14.302 -10.262 1.00 0.00 N ATOM 0 H LYS A 101 1.243 12.688 -4.206 1.00 0.00 H new ATOM 0 HA LYS A 101 0.622 10.498 -5.890 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.154 12.180 -7.585 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.566 12.599 -6.043 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.230 14.645 -6.756 1.00 0.00 H new ATOM 0 HG3 LYS A 101 1.532 14.109 -5.713 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.579 14.997 -7.654 1.00 0.00 H new ATOM 0 HD3 LYS A 101 2.727 13.256 -7.794 1.00 0.00 H new ATOM 0 HE2 LYS A 101 0.737 13.204 -9.273 1.00 0.00 H new ATOM 0 HE3 LYS A 101 0.582 14.943 -9.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.743 14.110 -11.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.595 15.279 -10.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.035 13.642 -10.159 1.00 0.00 H new ATOM 1600 N LYS A 102 3.624 11.615 -6.131 1.00 0.00 N ATOM 1601 CA LYS A 102 4.926 11.365 -6.714 1.00 0.00 C ATOM 1602 C LYS A 102 5.277 9.892 -6.567 1.00 0.00 C ATOM 1603 O LYS A 102 5.974 9.327 -7.393 1.00 0.00 O ATOM 1604 CB LYS A 102 5.946 12.233 -6.020 1.00 0.00 C ATOM 1605 CG LYS A 102 5.680 13.722 -6.201 1.00 0.00 C ATOM 1606 CD LYS A 102 6.447 14.558 -5.193 1.00 0.00 C ATOM 1607 CE LYS A 102 7.940 14.397 -5.322 1.00 0.00 C ATOM 1608 NZ LYS A 102 8.437 14.896 -6.621 1.00 0.00 N ATOM 0 H LYS A 102 3.647 12.200 -5.296 1.00 0.00 H new ATOM 0 HA LYS A 102 4.917 11.609 -7.776 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.952 11.997 -4.956 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.938 11.997 -6.405 1.00 0.00 H new ATOM 0 HG2 LYS A 102 5.961 14.021 -7.211 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.612 13.916 -6.097 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.186 15.608 -5.324 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.141 14.277 -4.185 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.435 14.935 -4.513 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.203 13.345 -5.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.477 14.910 -6.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.105 14.271 -7.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.079 15.859 -6.783 1.00 0.00 H new ATOM 1622 N ALA A 103 4.735 9.267 -5.530 1.00 0.00 N ATOM 1623 CA ALA A 103 4.916 7.835 -5.307 1.00 0.00 C ATOM 1624 C ALA A 103 4.173 7.038 -6.378 1.00 0.00 C ATOM 1625 O ALA A 103 4.546 5.944 -6.720 1.00 0.00 O ATOM 1626 CB ALA A 103 4.448 7.421 -3.920 1.00 0.00 C ATOM 0 H ALA A 103 4.163 9.731 -4.825 1.00 0.00 H new ATOM 0 HA ALA A 103 5.982 7.618 -5.374 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.598 6.349 -3.790 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.021 7.961 -3.166 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.389 7.655 -3.808 1.00 0.00 H new ATOM 1632 N GLN A 104 3.149 7.624 -6.945 1.00 0.00 N ATOM 1633 CA GLN A 104 2.401 6.972 -8.013 1.00 0.00 C ATOM 1634 C GLN A 104 3.270 6.931 -9.273 1.00 0.00 C ATOM 1635 O GLN A 104 3.120 6.071 -10.142 1.00 0.00 O ATOM 1636 CB GLN A 104 1.124 7.747 -8.307 1.00 0.00 C ATOM 1637 CG GLN A 104 0.219 7.943 -7.102 1.00 0.00 C ATOM 1638 CD GLN A 104 -0.958 8.836 -7.420 1.00 0.00 C ATOM 1639 OE1 GLN A 104 -0.872 9.716 -8.278 1.00 0.00 O ATOM 1640 NE2 GLN A 104 -2.046 8.637 -6.748 1.00 0.00 N ATOM 0 H GLN A 104 2.807 8.551 -6.692 1.00 0.00 H new ATOM 0 HA GLN A 104 2.138 5.960 -7.705 1.00 0.00 H new ATOM 0 HB2 GLN A 104 1.391 8.724 -8.709 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.566 7.224 -9.084 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -0.143 6.974 -6.759 1.00 0.00 H new ATOM 0 HG3 GLN A 104 0.793 8.377 -6.284 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -2.083 7.899 -6.044 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -2.866 9.218 -6.922 1.00 0.00 H new ATOM 1649 N MET A 105 4.189 7.863 -9.339 1.00 0.00 N ATOM 1650 CA MET A 105 5.088 8.019 -10.465 1.00 0.00 C ATOM 1651 C MET A 105 6.370 7.235 -10.205 1.00 0.00 C ATOM 1652 O MET A 105 7.149 6.965 -11.124 1.00 0.00 O ATOM 1653 CB MET A 105 5.414 9.491 -10.642 1.00 0.00 C ATOM 1654 CG MET A 105 4.179 10.388 -10.512 1.00 0.00 C ATOM 1655 SD MET A 105 4.503 12.158 -10.698 1.00 0.00 S ATOM 1656 CE MET A 105 4.969 12.236 -12.424 1.00 0.00 C ATOM 0 H MET A 105 4.339 8.549 -8.599 1.00 0.00 H new ATOM 0 HA MET A 105 4.614 7.640 -11.370 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.154 9.787 -9.898 1.00 0.00 H new ATOM 0 HB3 MET A 105 5.868 9.644 -11.621 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.448 10.086 -11.262 1.00 0.00 H new ATOM 0 HG3 MET A 105 3.724 10.217 -9.536 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.993 13.277 -12.748 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.956 11.793 -12.555 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.242 11.686 -13.022 1.00 0.00 H new ATOM 1666 N LEU A 106 6.551 6.842 -8.939 1.00 0.00 N ATOM 1667 CA LEU A 106 7.735 6.122 -8.453 1.00 0.00 C ATOM 1668 C LEU A 106 8.026 4.880 -9.313 1.00 0.00 C ATOM 1669 O LEU A 106 9.169 4.693 -9.735 1.00 0.00 O ATOM 1670 CB LEU A 106 7.561 5.705 -6.973 1.00 0.00 C ATOM 1671 CG LEU A 106 8.727 5.974 -6.008 1.00 0.00 C ATOM 1672 CD1 LEU A 106 9.984 5.234 -6.429 1.00 0.00 C ATOM 1673 CD2 LEU A 106 8.985 7.471 -5.875 1.00 0.00 C ATOM 0 H LEU A 106 5.863 7.019 -8.207 1.00 0.00 H new ATOM 0 HA LEU A 106 8.582 6.803 -8.530 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.680 6.215 -6.583 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.347 4.636 -6.950 1.00 0.00 H new ATOM 0 HG LEU A 106 8.441 5.591 -5.028 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.786 5.449 -5.723 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.788 4.162 -6.441 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.281 5.560 -7.426 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.814 7.638 -5.187 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.235 7.885 -6.852 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.091 7.962 -5.491 1.00 0.00 H new ATOM 1685 N PRO A 107 7.007 4.000 -9.615 1.00 0.00 N ATOM 1686 CA PRO A 107 7.229 2.842 -10.458 1.00 0.00 C ATOM 1687 C PRO A 107 7.731 3.193 -11.851 1.00 0.00 C ATOM 1688 O PRO A 107 8.378 2.390 -12.481 1.00 0.00 O ATOM 1689 CB PRO A 107 5.873 2.134 -10.518 1.00 0.00 C ATOM 1690 CG PRO A 107 4.887 3.152 -10.086 1.00 0.00 C ATOM 1691 CD PRO A 107 5.609 4.021 -9.112 1.00 0.00 C ATOM 0 HA PRO A 107 8.016 2.212 -10.044 1.00 0.00 H new ATOM 0 HB2 PRO A 107 5.658 1.779 -11.526 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.854 1.263 -9.863 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.524 3.732 -10.935 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.017 2.684 -9.625 1.00 0.00 H new ATOM 0 HD2 PRO A 107 5.202 5.032 -9.095 1.00 0.00 H new ATOM 0 HD3 PRO A 107 5.540 3.632 -8.096 1.00 0.00 H new ATOM 1699 N ASN A 108 7.483 4.389 -12.316 1.00 0.00 N ATOM 1700 CA ASN A 108 7.951 4.757 -13.601 1.00 0.00 C ATOM 1701 C ASN A 108 9.340 5.350 -13.509 1.00 0.00 C ATOM 1702 O ASN A 108 10.215 5.023 -14.305 1.00 0.00 O ATOM 1703 CB ASN A 108 6.970 5.695 -14.267 1.00 0.00 C ATOM 1704 CG ASN A 108 5.738 4.972 -14.786 1.00 0.00 C ATOM 1705 OD1 ASN A 108 5.790 3.784 -15.130 1.00 0.00 O ATOM 1706 ND2 ASN A 108 4.639 5.658 -14.857 1.00 0.00 N ATOM 0 H ASN A 108 6.962 5.112 -11.819 1.00 0.00 H new ATOM 0 HA ASN A 108 8.024 3.867 -14.225 1.00 0.00 H new ATOM 0 HB2 ASN A 108 6.665 6.462 -13.555 1.00 0.00 H new ATOM 0 HB3 ASN A 108 7.464 6.205 -15.094 1.00 0.00 H new ATOM 0 HD21 ASN A 108 3.786 5.220 -15.204 1.00 0.00 H new ATOM 0 HD22 ASN A 108 4.628 6.636 -14.566 1.00 0.00 H new ATOM 1713 N GLN A 109 9.555 6.158 -12.485 1.00 0.00 N ATOM 1714 CA GLN A 109 10.843 6.817 -12.249 1.00 0.00 C ATOM 1715 C GLN A 109 11.926 5.805 -11.903 1.00 0.00 C ATOM 1716 O GLN A 109 13.056 5.890 -12.382 1.00 0.00 O ATOM 1717 CB GLN A 109 10.717 7.825 -11.108 1.00 0.00 C ATOM 1718 CG GLN A 109 9.727 8.938 -11.379 1.00 0.00 C ATOM 1719 CD GLN A 109 9.554 9.895 -10.214 1.00 0.00 C ATOM 1720 OE1 GLN A 109 8.483 10.460 -10.032 1.00 0.00 O ATOM 1721 NE2 GLN A 109 10.597 10.118 -9.452 1.00 0.00 N ATOM 0 H GLN A 109 8.844 6.381 -11.788 1.00 0.00 H new ATOM 0 HA GLN A 109 11.125 7.331 -13.168 1.00 0.00 H new ATOM 0 HB2 GLN A 109 10.417 7.298 -10.202 1.00 0.00 H new ATOM 0 HB3 GLN A 109 11.696 8.262 -10.913 1.00 0.00 H new ATOM 0 HG2 GLN A 109 10.055 9.499 -12.254 1.00 0.00 H new ATOM 0 HG3 GLN A 109 8.760 8.500 -11.625 1.00 0.00 H new ATOM 0 HE21 GLN A 109 11.474 9.630 -9.632 1.00 0.00 H new ATOM 0 HE22 GLN A 109 10.531 10.780 -8.679 1.00 0.00 H new ATOM 1730 N CYS A 110 11.563 4.847 -11.085 1.00 0.00 N ATOM 1731 CA CYS A 110 12.494 3.843 -10.608 1.00 0.00 C ATOM 1732 C CYS A 110 12.537 2.661 -11.572 1.00 0.00 C ATOM 1733 O CYS A 110 13.354 1.775 -11.426 1.00 0.00 O ATOM 1734 CB CYS A 110 12.061 3.383 -9.204 1.00 0.00 C ATOM 1735 SG CYS A 110 13.244 2.319 -8.279 1.00 0.00 S ATOM 0 H CYS A 110 10.614 4.738 -10.729 1.00 0.00 H new ATOM 0 HA CYS A 110 13.496 4.269 -10.553 1.00 0.00 H new ATOM 0 HB2 CYS A 110 11.860 4.270 -8.603 1.00 0.00 H new ATOM 0 HB3 CYS A 110 11.120 2.842 -9.299 1.00 0.00 H new ATOM 1740 N ASN A 111 11.658 2.685 -12.578 1.00 0.00 N ATOM 1741 CA ASN A 111 11.539 1.599 -13.574 1.00 0.00 C ATOM 1742 C ASN A 111 11.170 0.281 -12.892 1.00 0.00 C ATOM 1743 O ASN A 111 11.940 -0.689 -12.831 1.00 0.00 O ATOM 1744 CB ASN A 111 12.793 1.474 -14.471 1.00 0.00 C ATOM 1745 CG ASN A 111 12.677 0.411 -15.567 1.00 0.00 C ATOM 1746 OD1 ASN A 111 13.065 -0.746 -15.381 1.00 0.00 O ATOM 1747 ND2 ASN A 111 12.161 0.789 -16.710 1.00 0.00 N ATOM 0 H ASN A 111 11.006 3.454 -12.731 1.00 0.00 H new ATOM 0 HA ASN A 111 10.725 1.860 -14.250 1.00 0.00 H new ATOM 0 HB2 ASN A 111 12.991 2.440 -14.936 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.653 1.240 -13.843 1.00 0.00 H new ATOM 0 HD21 ASN A 111 12.071 0.120 -17.475 1.00 0.00 H new ATOM 0 HD22 ASN A 111 11.849 1.752 -16.835 1.00 0.00 H new ATOM 1754 N LEU A 112 10.035 0.319 -12.281 1.00 0.00 N ATOM 1755 CA LEU A 112 9.456 -0.810 -11.595 1.00 0.00 C ATOM 1756 C LEU A 112 8.363 -1.421 -12.455 1.00 0.00 C ATOM 1757 O LEU A 112 7.788 -0.736 -13.317 1.00 0.00 O ATOM 1758 CB LEU A 112 8.895 -0.366 -10.248 1.00 0.00 C ATOM 1759 CG LEU A 112 9.876 0.409 -9.376 1.00 0.00 C ATOM 1760 CD1 LEU A 112 9.240 0.851 -8.060 1.00 0.00 C ATOM 1761 CD2 LEU A 112 11.127 -0.412 -9.131 1.00 0.00 C ATOM 0 H LEU A 112 9.458 1.159 -12.238 1.00 0.00 H new ATOM 0 HA LEU A 112 10.224 -1.562 -11.417 1.00 0.00 H new ATOM 0 HB2 LEU A 112 8.016 0.254 -10.422 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.560 -1.247 -9.700 1.00 0.00 H new ATOM 0 HG LEU A 112 10.156 1.315 -9.914 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.973 1.400 -7.468 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.385 1.495 -8.267 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.908 -0.026 -7.504 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.818 0.155 -8.507 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.860 -1.340 -8.626 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.604 -0.642 -10.084 1.00 0.00 H new ATOM 1773 N GLN A 113 8.049 -2.677 -12.192 1.00 0.00 N ATOM 1774 CA GLN A 113 7.096 -3.473 -12.988 1.00 0.00 C ATOM 1775 C GLN A 113 5.649 -3.126 -12.636 1.00 0.00 C ATOM 1776 O GLN A 113 4.809 -4.015 -12.421 1.00 0.00 O ATOM 1777 CB GLN A 113 7.340 -4.954 -12.724 1.00 0.00 C ATOM 1778 CG GLN A 113 8.783 -5.357 -12.861 1.00 0.00 C ATOM 1779 CD GLN A 113 8.992 -6.850 -12.725 1.00 0.00 C ATOM 1780 OE1 GLN A 113 9.193 -7.370 -11.634 1.00 0.00 O ATOM 1781 NE2 GLN A 113 8.966 -7.546 -13.824 1.00 0.00 N ATOM 0 H GLN A 113 8.449 -3.193 -11.408 1.00 0.00 H new ATOM 0 HA GLN A 113 7.253 -3.244 -14.042 1.00 0.00 H new ATOM 0 HB2 GLN A 113 6.997 -5.197 -11.718 1.00 0.00 H new ATOM 0 HB3 GLN A 113 6.739 -5.543 -13.417 1.00 0.00 H new ATOM 0 HG2 GLN A 113 9.156 -5.030 -13.831 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.373 -4.842 -12.103 1.00 0.00 H new ATOM 0 HE21 GLN A 113 8.796 -7.083 -14.717 1.00 0.00 H new ATOM 0 HE22 GLN A 113 9.115 -8.554 -13.793 1.00 0.00 H new ATOM 1790 N CYS A 114 5.364 -1.855 -12.633 1.00 0.00 N ATOM 1791 CA CYS A 114 4.082 -1.321 -12.263 1.00 0.00 C ATOM 1792 C CYS A 114 3.905 0.063 -12.859 1.00 0.00 C ATOM 1793 O CYS A 114 4.888 0.726 -13.204 1.00 0.00 O ATOM 1794 CB CYS A 114 3.987 -1.219 -10.742 1.00 0.00 C ATOM 1795 SG CYS A 114 3.564 -2.748 -9.839 1.00 0.00 S ATOM 0 H CYS A 114 6.039 -1.137 -12.897 1.00 0.00 H new ATOM 0 HA CYS A 114 3.303 -1.984 -12.640 1.00 0.00 H new ATOM 0 HB2 CYS A 114 4.943 -0.856 -10.366 1.00 0.00 H new ATOM 0 HB3 CYS A 114 3.241 -0.463 -10.498 1.00 0.00 H new ATOM 1800 N SER A 115 2.677 0.491 -12.973 1.00 0.00 N ATOM 1801 CA SER A 115 2.345 1.805 -13.451 1.00 0.00 C ATOM 1802 C SER A 115 1.069 2.275 -12.756 1.00 0.00 C ATOM 1803 O SER A 115 0.023 1.645 -12.879 1.00 0.00 O ATOM 1804 CB SER A 115 2.204 1.784 -14.982 1.00 0.00 C ATOM 1805 OG SER A 115 1.380 0.703 -15.409 1.00 0.00 O ATOM 0 H SER A 115 1.864 -0.075 -12.731 1.00 0.00 H new ATOM 0 HA SER A 115 3.139 2.513 -13.214 1.00 0.00 H new ATOM 0 HB2 SER A 115 1.777 2.727 -15.323 1.00 0.00 H new ATOM 0 HB3 SER A 115 3.189 1.696 -15.439 1.00 0.00 H new ATOM 0 HG SER A 115 0.606 0.626 -14.813 1.00 0.00 H new ATOM 1811 N ILE A 116 1.171 3.330 -11.994 1.00 0.00 N ATOM 1812 CA ILE A 116 0.053 3.821 -11.227 1.00 0.00 C ATOM 1813 C ILE A 116 -0.559 5.016 -11.932 1.00 0.00 C ATOM 1814 O ILE A 116 -1.771 4.999 -12.228 1.00 0.00 O ATOM 1815 CB ILE A 116 0.468 4.186 -9.775 1.00 0.00 C ATOM 1816 CG1 ILE A 116 1.088 2.956 -9.084 1.00 0.00 C ATOM 1817 CG2 ILE A 116 -0.747 4.677 -8.986 1.00 0.00 C ATOM 1818 CD1 ILE A 116 1.647 3.226 -7.699 1.00 0.00 C ATOM 1819 OXT ILE A 116 0.190 5.940 -12.289 1.00 0.00 O ATOM 0 H ILE A 116 2.027 3.874 -11.886 1.00 0.00 H new ATOM 0 HA ILE A 116 -0.690 3.027 -11.155 1.00 0.00 H new ATOM 0 HB ILE A 116 1.208 4.986 -9.808 1.00 0.00 H new ATOM 0 HG12 ILE A 116 0.330 2.176 -9.010 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.887 2.565 -9.714 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -0.443 4.930 -7.970 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -1.163 5.560 -9.471 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -1.502 3.891 -8.954 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.063 2.306 -7.289 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.431 3.981 -7.764 1.00 0.00 H new ATOM 0 HD13 ILE A 116 0.850 3.586 -7.049 1.00 0.00 H new