USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 564 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 48 LYS NZ :NH3+ -151:sc= 0.845 (180deg=0.0137) USER MOD Set 1.2: A 65 THR OG1 : rot -160:sc= 0.435 USER MOD Set 2.1: A 16 ASN :FLIP amide:sc= -1.36 F(o=-2.9!,f=-1.3) USER MOD Set 2.2: A 23 THR OG1 : rot -61:sc= 0.0346 USER MOD Set 3.1: A 9 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 11 THR OG1 : rot -55:sc= 0.472 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.943 K(o=-0.94,f=-6.2!) USER MOD Single : A 13 ASN : amide:sc= -0.147 K(o=-0.15,f=-1.6!) USER MOD Single : A 18 THR OG1 : rot 89:sc= 0.401 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.0103 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= -0.0345 (180deg=-0.0345) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -119:sc= -0.182 USER MOD Single : A 35 ASN : amide:sc= -0.231 X(o=-0.23,f=-0.64) USER MOD Single : A 38 ASN : amide:sc= -3.18! C(o=-3.2!,f=-4.1!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 180:sc= -1.51 USER MOD Single : A 46 SER OG : rot 70:sc= 0.487 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -51:sc= 0.218 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0253 USER MOD Single : A 54 MET CE :methyl -127:sc= -0.0709 (180deg=-1.11) USER MOD Single : A 57 THR OG1 : rot 35:sc= 1.01 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -2.45 K(o=-2.4,f=-8!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 83:sc= 0.319 USER MOD Single : A 77 SER OG : rot -56:sc= 0.338 USER MOD Single : A 78 LYS NZ :NH3+ 138:sc= 0.544 (180deg=0.0152) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.659 2.097 -36.592 1.00 0.00 N ATOM 2 CA GLY A 1 1.480 1.168 -35.492 1.00 0.00 C ATOM 3 C GLY A 1 1.333 1.872 -34.157 1.00 0.00 C ATOM 4 O GLY A 1 2.316 2.078 -33.445 1.00 0.00 O ATOM 0 H1 GLY A 1 1.755 1.567 -37.482 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.834 2.728 -36.652 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.517 2.663 -36.432 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.596 0.557 -35.676 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.333 0.490 -35.450 1.00 0.00 H new ATOM 8 N SER A 2 0.103 2.244 -33.818 1.00 0.00 N ATOM 9 CA SER A 2 -0.168 2.934 -32.562 1.00 0.00 C ATOM 10 C SER A 2 -1.339 2.287 -31.829 1.00 0.00 C ATOM 11 O SER A 2 -2.477 2.328 -32.296 1.00 0.00 O ATOM 12 CB SER A 2 -0.468 4.412 -32.822 1.00 0.00 C ATOM 13 OG SER A 2 -0.082 5.212 -31.718 1.00 0.00 O ATOM 0 H SER A 2 -0.722 2.079 -34.395 1.00 0.00 H new ATOM 0 HA SER A 2 0.719 2.856 -31.934 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.060 4.742 -33.717 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.533 4.542 -33.015 1.00 0.00 H new ATOM 0 HG SER A 2 -0.282 6.152 -31.909 1.00 0.00 H new ATOM 19 N SER A 3 -1.051 1.691 -30.676 1.00 0.00 N ATOM 20 CA SER A 3 -2.078 1.031 -29.879 1.00 0.00 C ATOM 21 C SER A 3 -2.677 1.996 -28.860 1.00 0.00 C ATOM 22 O SER A 3 -2.152 3.086 -28.636 1.00 0.00 O ATOM 23 CB SER A 3 -1.493 -0.187 -29.162 1.00 0.00 C ATOM 24 OG SER A 3 -0.968 -1.121 -30.089 1.00 0.00 O ATOM 0 H SER A 3 -0.115 1.652 -30.273 1.00 0.00 H new ATOM 0 HA SER A 3 -2.870 0.702 -30.552 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.707 0.133 -28.478 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.266 -0.664 -28.559 1.00 0.00 H new ATOM 0 HG SER A 3 -0.599 -1.889 -29.606 1.00 0.00 H new ATOM 30 N GLY A 4 -3.783 1.587 -28.245 1.00 0.00 N ATOM 31 CA GLY A 4 -4.437 2.425 -27.258 1.00 0.00 C ATOM 32 C GLY A 4 -3.549 2.715 -26.064 1.00 0.00 C ATOM 33 O GLY A 4 -2.348 2.446 -26.095 1.00 0.00 O ATOM 0 H GLY A 4 -4.237 0.689 -28.413 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.734 3.365 -27.723 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.350 1.936 -26.918 1.00 0.00 H new ATOM 37 N SER A 5 -4.140 3.266 -25.009 1.00 0.00 N ATOM 38 CA SER A 5 -3.393 3.598 -23.801 1.00 0.00 C ATOM 39 C SER A 5 -4.261 3.421 -22.559 1.00 0.00 C ATOM 40 O SER A 5 -5.199 4.184 -22.330 1.00 0.00 O ATOM 41 CB SER A 5 -2.876 5.036 -23.874 1.00 0.00 C ATOM 42 OG SER A 5 -1.918 5.286 -22.861 1.00 0.00 O ATOM 0 H SER A 5 -5.134 3.492 -24.966 1.00 0.00 H new ATOM 0 HA SER A 5 -2.545 2.917 -23.730 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.431 5.216 -24.852 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.709 5.731 -23.770 1.00 0.00 H new ATOM 0 HG SER A 5 -1.602 6.211 -22.931 1.00 0.00 H new ATOM 48 N SER A 6 -3.942 2.407 -21.761 1.00 0.00 N ATOM 49 CA SER A 6 -4.694 2.125 -20.544 1.00 0.00 C ATOM 50 C SER A 6 -4.641 3.311 -19.586 1.00 0.00 C ATOM 51 O SER A 6 -3.564 3.760 -19.196 1.00 0.00 O ATOM 52 CB SER A 6 -4.144 0.874 -19.857 1.00 0.00 C ATOM 53 OG SER A 6 -4.738 0.688 -18.584 1.00 0.00 O ATOM 0 H SER A 6 -3.167 1.767 -21.936 1.00 0.00 H new ATOM 0 HA SER A 6 -5.734 1.950 -20.821 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.332 0.000 -20.481 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.063 0.961 -19.748 1.00 0.00 H new ATOM 0 HG SER A 6 -4.371 -0.119 -18.166 1.00 0.00 H new ATOM 59 N GLY A 7 -5.813 3.813 -19.210 1.00 0.00 N ATOM 60 CA GLY A 7 -5.878 4.942 -18.300 1.00 0.00 C ATOM 61 C GLY A 7 -7.051 5.856 -18.594 1.00 0.00 C ATOM 62 O GLY A 7 -8.092 5.407 -19.074 1.00 0.00 O ATOM 0 H GLY A 7 -6.718 3.459 -19.519 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.954 4.576 -17.276 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.951 5.512 -18.366 1.00 0.00 H new ATOM 66 N ARG A 8 -6.883 7.143 -18.305 1.00 0.00 N ATOM 67 CA ARG A 8 -7.938 8.122 -18.539 1.00 0.00 C ATOM 68 C ARG A 8 -9.302 7.553 -18.160 1.00 0.00 C ATOM 69 O ARG A 8 -10.228 7.541 -18.972 1.00 0.00 O ATOM 70 CB ARG A 8 -7.944 8.556 -20.006 1.00 0.00 C ATOM 71 CG ARG A 8 -8.280 10.025 -20.204 1.00 0.00 C ATOM 72 CD ARG A 8 -9.774 10.233 -20.399 1.00 0.00 C ATOM 73 NE ARG A 8 -10.177 11.606 -20.109 1.00 0.00 N ATOM 74 CZ ARG A 8 -11.436 12.028 -20.157 1.00 0.00 C ATOM 75 NH1 ARG A 8 -12.408 11.188 -20.483 1.00 0.00 N ATOM 76 NH2 ARG A 8 -11.724 13.293 -19.879 1.00 0.00 N ATOM 0 H ARG A 8 -6.027 7.531 -17.909 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.739 8.990 -17.911 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.965 8.354 -20.440 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.666 7.950 -20.553 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.942 10.597 -19.340 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.742 10.409 -21.071 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.044 9.985 -21.426 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.323 9.549 -19.751 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.453 12.278 -19.856 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -12.190 10.215 -20.698 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -13.374 11.515 -20.519 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -10.979 13.943 -19.628 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -12.691 13.616 -19.916 1.00 0.00 H new ATOM 90 N TYR A 9 -9.418 7.081 -16.924 1.00 0.00 N ATOM 91 CA TYR A 9 -10.668 6.507 -16.439 1.00 0.00 C ATOM 92 C TYR A 9 -10.981 6.998 -15.029 1.00 0.00 C ATOM 93 O TYR A 9 -10.091 7.346 -14.253 1.00 0.00 O ATOM 94 CB TYR A 9 -10.592 4.980 -16.454 1.00 0.00 C ATOM 95 CG TYR A 9 -9.874 4.397 -15.258 1.00 0.00 C ATOM 96 CD1 TYR A 9 -8.487 4.413 -15.180 1.00 0.00 C ATOM 97 CD2 TYR A 9 -10.582 3.830 -14.206 1.00 0.00 C ATOM 98 CE1 TYR A 9 -7.826 3.882 -14.089 1.00 0.00 C ATOM 99 CE2 TYR A 9 -9.930 3.297 -13.110 1.00 0.00 C ATOM 100 CZ TYR A 9 -8.552 3.325 -13.057 1.00 0.00 C ATOM 101 OH TYR A 9 -7.899 2.795 -11.968 1.00 0.00 O ATOM 0 H TYR A 9 -8.662 7.084 -16.239 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.469 6.831 -17.104 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -11.603 4.575 -16.493 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -10.085 4.659 -17.364 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.915 4.848 -15.986 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -11.661 3.805 -14.245 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.747 3.903 -14.045 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -10.496 2.861 -12.300 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.556 2.444 -11.331 1.00 0.00 H new ATOM 111 N PRO A 10 -12.278 7.027 -14.688 1.00 0.00 N ATOM 112 CA PRO A 10 -12.741 7.472 -13.370 1.00 0.00 C ATOM 113 C PRO A 10 -12.371 6.490 -12.264 1.00 0.00 C ATOM 114 O PRO A 10 -12.825 5.345 -12.258 1.00 0.00 O ATOM 115 CB PRO A 10 -14.261 7.545 -13.534 1.00 0.00 C ATOM 116 CG PRO A 10 -14.571 6.583 -14.629 1.00 0.00 C ATOM 117 CD PRO A 10 -13.393 6.626 -15.563 1.00 0.00 C ATOM 0 HA PRO A 10 -12.285 8.417 -13.075 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.772 7.272 -12.611 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -14.583 8.554 -13.791 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.720 5.578 -14.235 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -15.489 6.862 -15.146 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.212 5.656 -16.026 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.547 7.341 -16.371 1.00 0.00 H new ATOM 125 N THR A 11 -11.544 6.944 -11.328 1.00 0.00 N ATOM 126 CA THR A 11 -11.112 6.105 -10.217 1.00 0.00 C ATOM 127 C THR A 11 -11.861 6.460 -8.937 1.00 0.00 C ATOM 128 O THR A 11 -11.916 7.623 -8.540 1.00 0.00 O ATOM 129 CB THR A 11 -9.598 6.240 -9.966 1.00 0.00 C ATOM 130 OG1 THR A 11 -8.878 6.008 -11.181 1.00 0.00 O ATOM 131 CG2 THR A 11 -9.137 5.258 -8.900 1.00 0.00 C ATOM 0 H THR A 11 -11.160 7.889 -11.317 1.00 0.00 H new ATOM 0 HA THR A 11 -11.336 5.075 -10.493 1.00 0.00 H new ATOM 0 HB THR A 11 -9.398 7.252 -9.614 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.129 5.135 -11.549 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.065 5.372 -8.740 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.666 5.457 -7.968 1.00 0.00 H new ATOM 0 HG23 THR A 11 -9.349 4.240 -9.227 1.00 0.00 H new ATOM 139 N ASN A 12 -12.438 5.448 -8.295 1.00 0.00 N ATOM 140 CA ASN A 12 -13.184 5.654 -7.059 1.00 0.00 C ATOM 141 C ASN A 12 -12.401 6.535 -6.091 1.00 0.00 C ATOM 142 O ASN A 12 -11.171 6.514 -6.074 1.00 0.00 O ATOM 143 CB ASN A 12 -13.501 4.310 -6.401 1.00 0.00 C ATOM 144 CG ASN A 12 -13.724 4.436 -4.907 1.00 0.00 C ATOM 145 OD1 ASN A 12 -12.864 4.070 -4.106 1.00 0.00 O ATOM 146 ND2 ASN A 12 -14.884 4.957 -4.523 1.00 0.00 N ATOM 0 H ASN A 12 -12.403 4.479 -8.610 1.00 0.00 H new ATOM 0 HA ASN A 12 -14.118 6.159 -7.307 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -14.391 3.883 -6.864 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -12.681 3.616 -6.586 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -15.090 5.067 -3.530 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -15.569 5.247 -5.221 1.00 0.00 H new ATOM 153 N ASN A 13 -13.123 7.307 -5.286 1.00 0.00 N ATOM 154 CA ASN A 13 -12.496 8.195 -4.314 1.00 0.00 C ATOM 155 C ASN A 13 -11.928 7.403 -3.140 1.00 0.00 C ATOM 156 O ASN A 13 -10.764 7.566 -2.773 1.00 0.00 O ATOM 157 CB ASN A 13 -13.507 9.226 -3.806 1.00 0.00 C ATOM 158 CG ASN A 13 -12.852 10.537 -3.419 1.00 0.00 C ATOM 159 OD1 ASN A 13 -11.836 10.929 -3.992 1.00 0.00 O ATOM 160 ND2 ASN A 13 -13.432 11.222 -2.440 1.00 0.00 N ATOM 0 H ASN A 13 -14.143 7.336 -5.287 1.00 0.00 H new ATOM 0 HA ASN A 13 -11.676 8.714 -4.810 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -14.253 9.410 -4.579 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -14.035 8.819 -2.944 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -13.036 12.111 -2.135 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -14.274 10.859 -1.993 1.00 0.00 H new ATOM 167 N PHE A 14 -12.757 6.545 -2.556 1.00 0.00 N ATOM 168 CA PHE A 14 -12.338 5.728 -1.423 1.00 0.00 C ATOM 169 C PHE A 14 -13.215 4.485 -1.296 1.00 0.00 C ATOM 170 O PHE A 14 -14.222 4.349 -1.988 1.00 0.00 O ATOM 171 CB PHE A 14 -12.398 6.542 -0.129 1.00 0.00 C ATOM 172 CG PHE A 14 -13.794 6.911 0.284 1.00 0.00 C ATOM 173 CD1 PHE A 14 -14.607 5.990 0.925 1.00 0.00 C ATOM 174 CD2 PHE A 14 -14.294 8.178 0.030 1.00 0.00 C ATOM 175 CE1 PHE A 14 -15.892 6.326 1.307 1.00 0.00 C ATOM 176 CE2 PHE A 14 -15.578 8.520 0.409 1.00 0.00 C ATOM 177 CZ PHE A 14 -16.379 7.593 1.047 1.00 0.00 C ATOM 0 H PHE A 14 -13.723 6.397 -2.848 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.310 5.411 -1.597 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -11.930 5.970 0.672 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -11.812 7.453 -0.255 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -14.232 4.998 1.128 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -13.673 8.907 -0.470 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -16.515 5.600 1.808 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -15.955 9.512 0.207 1.00 0.00 H new ATOM 0 HZ PHE A 14 -17.384 7.858 1.342 1.00 0.00 H new ATOM 187 N GLY A 15 -12.822 3.580 -0.404 1.00 0.00 N ATOM 188 CA GLY A 15 -13.581 2.360 -0.202 1.00 0.00 C ATOM 189 C GLY A 15 -12.851 1.132 -0.708 1.00 0.00 C ATOM 190 O GLY A 15 -13.134 0.013 -0.281 1.00 0.00 O ATOM 0 H GLY A 15 -11.992 3.670 0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -13.794 2.240 0.860 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.541 2.444 -0.712 1.00 0.00 H new ATOM 194 N ASN A 16 -11.909 1.340 -1.622 1.00 0.00 N ATOM 195 CA ASN A 16 -11.137 0.240 -2.189 1.00 0.00 C ATOM 196 C ASN A 16 -9.660 0.610 -2.296 1.00 0.00 C ATOM 197 O ASN A 16 -9.290 1.776 -2.159 1.00 0.00 O ATOM 198 CB ASN A 16 -11.681 -0.136 -3.568 1.00 0.00 C ATOM 199 CG ASN A 16 -13.175 0.101 -3.684 1.00 0.00 C ATOM 200 OD1 ASN A 16 -13.934 -0.432 -2.734 1.00 0.00 O flip ATOM 201 ND2 ASN A 16 -13.640 0.756 -4.617 1.00 0.00 N flip ATOM 0 H ASN A 16 -11.662 2.260 -1.986 1.00 0.00 H new ATOM 0 HA ASN A 16 -11.231 -0.618 -1.523 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.163 0.445 -4.331 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.466 -1.186 -3.767 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -13.019 1.147 -5.325 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -14.647 0.907 -4.682 1.00 0.00 H new ATOM 208 N CYS A 17 -8.822 -0.391 -2.543 1.00 0.00 N ATOM 209 CA CYS A 17 -7.386 -0.172 -2.669 1.00 0.00 C ATOM 210 C CYS A 17 -7.097 1.109 -3.446 1.00 0.00 C ATOM 211 O CYS A 17 -7.960 1.627 -4.155 1.00 0.00 O ATOM 212 CB CYS A 17 -6.727 -1.364 -3.366 1.00 0.00 C ATOM 213 SG CYS A 17 -4.907 -1.358 -3.288 1.00 0.00 S ATOM 0 H CYS A 17 -9.112 -1.362 -2.660 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.970 -0.070 -1.667 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.096 -2.285 -2.915 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.035 -1.376 -4.411 1.00 0.00 H new ATOM 218 N THR A 18 -5.875 1.615 -3.309 1.00 0.00 N ATOM 219 CA THR A 18 -5.472 2.835 -3.997 1.00 0.00 C ATOM 220 C THR A 18 -4.759 2.518 -5.306 1.00 0.00 C ATOM 221 O THR A 18 -4.491 3.410 -6.110 1.00 0.00 O ATOM 222 CB THR A 18 -4.546 3.696 -3.117 1.00 0.00 C ATOM 223 OG1 THR A 18 -5.175 3.963 -1.858 1.00 0.00 O ATOM 224 CG2 THR A 18 -4.207 5.007 -3.809 1.00 0.00 C ATOM 0 H THR A 18 -5.148 1.199 -2.728 1.00 0.00 H new ATOM 0 HA THR A 18 -6.383 3.394 -4.209 1.00 0.00 H new ATOM 0 HB THR A 18 -3.622 3.142 -2.950 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.952 3.251 -1.223 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.552 5.598 -3.168 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.702 4.800 -4.752 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.124 5.564 -4.003 1.00 0.00 H new ATOM 232 N GLY A 19 -4.455 1.240 -5.515 1.00 0.00 N ATOM 233 CA GLY A 19 -3.776 0.829 -6.730 1.00 0.00 C ATOM 234 C GLY A 19 -4.687 0.070 -7.674 1.00 0.00 C ATOM 235 O GLY A 19 -4.966 0.528 -8.782 1.00 0.00 O ATOM 0 H GLY A 19 -4.667 0.483 -4.865 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.383 1.709 -7.239 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.922 0.202 -6.471 1.00 0.00 H new ATOM 239 N CYS A 20 -5.151 -1.096 -7.237 1.00 0.00 N ATOM 240 CA CYS A 20 -6.034 -1.922 -8.051 1.00 0.00 C ATOM 241 C CYS A 20 -7.497 -1.648 -7.716 1.00 0.00 C ATOM 242 O CYS A 20 -8.402 -2.135 -8.394 1.00 0.00 O ATOM 243 CB CYS A 20 -5.720 -3.405 -7.838 1.00 0.00 C ATOM 244 SG CYS A 20 -5.882 -3.959 -6.111 1.00 0.00 S ATOM 0 H CYS A 20 -4.930 -1.490 -6.323 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.865 -1.668 -9.097 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -6.386 -4.000 -8.463 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.703 -3.602 -8.178 1.00 0.00 H new ATOM 249 N SER A 21 -7.722 -0.866 -6.665 1.00 0.00 N ATOM 250 CA SER A 21 -9.075 -0.530 -6.237 1.00 0.00 C ATOM 251 C SER A 21 -9.892 -1.792 -5.977 1.00 0.00 C ATOM 252 O SER A 21 -11.034 -1.908 -6.420 1.00 0.00 O ATOM 253 CB SER A 21 -9.768 0.331 -7.294 1.00 0.00 C ATOM 254 OG SER A 21 -9.544 1.710 -7.056 1.00 0.00 O ATOM 0 H SER A 21 -6.985 -0.453 -6.094 1.00 0.00 H new ATOM 0 HA SER A 21 -9.006 0.035 -5.307 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.398 0.065 -8.284 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.839 0.127 -7.289 1.00 0.00 H new ATOM 0 HG SER A 21 -9.996 2.239 -7.746 1.00 0.00 H new ATOM 260 N ALA A 22 -9.297 -2.737 -5.255 1.00 0.00 N ATOM 261 CA ALA A 22 -9.969 -3.990 -4.934 1.00 0.00 C ATOM 262 C ALA A 22 -10.643 -3.916 -3.569 1.00 0.00 C ATOM 263 O ALA A 22 -9.983 -4.002 -2.532 1.00 0.00 O ATOM 264 CB ALA A 22 -8.979 -5.145 -4.975 1.00 0.00 C ATOM 0 H ALA A 22 -8.351 -2.658 -4.882 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.742 -4.162 -5.683 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.494 -6.075 -4.733 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.547 -5.219 -5.973 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.186 -4.970 -4.248 1.00 0.00 H new ATOM 270 N THR A 23 -11.963 -3.756 -3.574 1.00 0.00 N ATOM 271 CA THR A 23 -12.727 -3.669 -2.335 1.00 0.00 C ATOM 272 C THR A 23 -12.161 -4.605 -1.274 1.00 0.00 C ATOM 273 O THR A 23 -11.649 -5.680 -1.588 1.00 0.00 O ATOM 274 CB THR A 23 -14.212 -4.011 -2.566 1.00 0.00 C ATOM 275 OG1 THR A 23 -14.660 -3.437 -3.799 1.00 0.00 O ATOM 276 CG2 THR A 23 -15.069 -3.498 -1.420 1.00 0.00 C ATOM 0 H THR A 23 -12.525 -3.684 -4.422 1.00 0.00 H new ATOM 0 HA THR A 23 -12.649 -2.639 -1.986 1.00 0.00 H new ATOM 0 HB THR A 23 -14.310 -5.096 -2.614 1.00 0.00 H new ATOM 0 HG1 THR A 23 -14.568 -2.462 -3.758 1.00 0.00 H new ATOM 0 HG21 THR A 23 -16.113 -3.751 -1.605 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.744 -3.959 -0.488 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.966 -2.416 -1.345 1.00 0.00 H new ATOM 284 N PHE A 24 -12.258 -4.191 -0.015 1.00 0.00 N ATOM 285 CA PHE A 24 -11.755 -4.993 1.095 1.00 0.00 C ATOM 286 C PHE A 24 -12.888 -5.763 1.767 1.00 0.00 C ATOM 287 O PHE A 24 -13.145 -5.595 2.959 1.00 0.00 O ATOM 288 CB PHE A 24 -11.051 -4.101 2.119 1.00 0.00 C ATOM 289 CG PHE A 24 -9.956 -3.259 1.529 1.00 0.00 C ATOM 290 CD1 PHE A 24 -8.658 -3.738 1.458 1.00 0.00 C ATOM 291 CD2 PHE A 24 -10.225 -1.988 1.046 1.00 0.00 C ATOM 292 CE1 PHE A 24 -7.648 -2.966 0.915 1.00 0.00 C ATOM 293 CE2 PHE A 24 -9.219 -1.212 0.502 1.00 0.00 C ATOM 294 CZ PHE A 24 -7.928 -1.701 0.438 1.00 0.00 C ATOM 0 H PHE A 24 -12.680 -3.305 0.262 1.00 0.00 H new ATOM 0 HA PHE A 24 -11.038 -5.711 0.696 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -11.788 -3.448 2.588 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.632 -4.727 2.907 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.433 -4.726 1.831 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -11.232 -1.600 1.095 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.641 -3.352 0.864 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -9.442 -0.224 0.127 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.140 -1.095 0.016 1.00 0.00 H new ATOM 304 N SER A 25 -13.562 -6.607 0.993 1.00 0.00 N ATOM 305 CA SER A 25 -14.671 -7.400 1.512 1.00 0.00 C ATOM 306 C SER A 25 -14.334 -8.887 1.486 1.00 0.00 C ATOM 307 O SER A 25 -14.541 -9.600 2.468 1.00 0.00 O ATOM 308 CB SER A 25 -15.938 -7.138 0.695 1.00 0.00 C ATOM 309 OG SER A 25 -15.721 -7.395 -0.681 1.00 0.00 O ATOM 0 H SER A 25 -13.360 -6.760 0.005 1.00 0.00 H new ATOM 0 HA SER A 25 -14.846 -7.103 2.546 1.00 0.00 H new ATOM 0 HB2 SER A 25 -16.748 -7.768 1.062 1.00 0.00 H new ATOM 0 HB3 SER A 25 -16.253 -6.103 0.829 1.00 0.00 H new ATOM 0 HG SER A 25 -16.546 -7.222 -1.180 1.00 0.00 H new ATOM 315 N VAL A 26 -13.813 -9.350 0.353 1.00 0.00 N ATOM 316 CA VAL A 26 -13.446 -10.752 0.198 1.00 0.00 C ATOM 317 C VAL A 26 -12.338 -11.142 1.170 1.00 0.00 C ATOM 318 O VAL A 26 -11.167 -11.220 0.796 1.00 0.00 O ATOM 319 CB VAL A 26 -12.982 -11.055 -1.239 1.00 0.00 C ATOM 320 CG1 VAL A 26 -11.806 -10.168 -1.619 1.00 0.00 C ATOM 321 CG2 VAL A 26 -12.619 -12.525 -1.383 1.00 0.00 C ATOM 0 H VAL A 26 -13.636 -8.774 -0.470 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.339 -11.338 0.416 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.805 -10.839 -1.921 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.492 -10.397 -2.637 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.105 -9.122 -1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.977 -10.349 -0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.293 -12.721 -2.405 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.813 -12.770 -0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.491 -13.139 -1.156 1.00 0.00 H new ATOM 331 N LEU A 27 -12.715 -11.385 2.421 1.00 0.00 N ATOM 332 CA LEU A 27 -11.753 -11.767 3.449 1.00 0.00 C ATOM 333 C LEU A 27 -10.423 -11.051 3.243 1.00 0.00 C ATOM 334 O LEU A 27 -9.361 -11.674 3.252 1.00 0.00 O ATOM 335 CB LEU A 27 -11.538 -13.282 3.436 1.00 0.00 C ATOM 336 CG LEU A 27 -12.798 -14.138 3.310 1.00 0.00 C ATOM 337 CD1 LEU A 27 -13.115 -14.411 1.848 1.00 0.00 C ATOM 338 CD2 LEU A 27 -12.634 -15.443 4.076 1.00 0.00 C ATOM 0 H LEU A 27 -13.679 -11.324 2.748 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.157 -11.472 4.418 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.872 -13.527 2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.022 -13.563 4.354 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.633 -13.588 3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.015 -15.022 1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.276 -13.467 1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.281 -14.941 1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.540 -16.040 3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.787 -15.998 3.672 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.457 -15.227 5.130 1.00 0.00 H new ATOM 350 N LYS A 28 -10.487 -9.736 3.061 1.00 0.00 N ATOM 351 CA LYS A 28 -9.287 -8.932 2.856 1.00 0.00 C ATOM 352 C LYS A 28 -9.270 -7.733 3.798 1.00 0.00 C ATOM 353 O LYS A 28 -10.074 -6.811 3.661 1.00 0.00 O ATOM 354 CB LYS A 28 -9.209 -8.455 1.404 1.00 0.00 C ATOM 355 CG LYS A 28 -7.862 -7.863 1.030 1.00 0.00 C ATOM 356 CD LYS A 28 -7.921 -7.141 -0.305 1.00 0.00 C ATOM 357 CE LYS A 28 -7.996 -8.121 -1.466 1.00 0.00 C ATOM 358 NZ LYS A 28 -8.589 -7.498 -2.681 1.00 0.00 N ATOM 0 H LYS A 28 -11.357 -9.204 3.051 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.420 -9.556 3.073 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.424 -9.294 0.743 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.985 -7.708 1.234 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.541 -7.168 1.806 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.116 -8.656 0.983 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.790 -6.483 -0.326 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.040 -6.509 -0.417 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.996 -8.487 -1.697 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.592 -8.985 -1.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.622 -8.198 -3.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.553 -7.171 -2.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.006 -6.689 -2.976 1.00 0.00 H new ATOM 372 N LYS A 29 -8.346 -7.750 4.754 1.00 0.00 N ATOM 373 CA LYS A 29 -8.221 -6.663 5.717 1.00 0.00 C ATOM 374 C LYS A 29 -7.446 -5.493 5.120 1.00 0.00 C ATOM 375 O LYS A 29 -6.266 -5.621 4.791 1.00 0.00 O ATOM 376 CB LYS A 29 -7.522 -7.156 6.986 1.00 0.00 C ATOM 377 CG LYS A 29 -8.367 -8.110 7.814 1.00 0.00 C ATOM 378 CD LYS A 29 -7.503 -9.099 8.579 1.00 0.00 C ATOM 379 CE LYS A 29 -7.266 -10.369 7.776 1.00 0.00 C ATOM 380 NZ LYS A 29 -6.136 -11.169 8.325 1.00 0.00 N ATOM 0 H LYS A 29 -7.673 -8.506 4.882 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.224 -6.320 5.971 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.593 -7.654 6.709 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.252 -6.296 7.600 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.978 -7.541 8.515 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.051 -8.652 7.161 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.546 -8.637 8.821 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.985 -9.349 9.524 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.173 -10.974 7.776 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.057 -10.109 6.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.006 -12.026 7.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.265 -10.601 8.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.347 -11.439 9.307 1.00 0.00 H new ATOM 394 N ARG A 30 -8.116 -4.353 4.983 1.00 0.00 N ATOM 395 CA ARG A 30 -7.489 -3.161 4.425 1.00 0.00 C ATOM 396 C ARG A 30 -6.138 -2.898 5.083 1.00 0.00 C ATOM 397 O ARG A 30 -6.071 -2.455 6.229 1.00 0.00 O ATOM 398 CB ARG A 30 -8.402 -1.947 4.607 1.00 0.00 C ATOM 399 CG ARG A 30 -8.130 -0.827 3.616 1.00 0.00 C ATOM 400 CD ARG A 30 -9.405 -0.079 3.257 1.00 0.00 C ATOM 401 NE ARG A 30 -9.685 1.007 4.193 1.00 0.00 N ATOM 402 CZ ARG A 30 -10.436 2.060 3.892 1.00 0.00 C ATOM 403 NH1 ARG A 30 -10.979 2.170 2.688 1.00 0.00 N ATOM 404 NH2 ARG A 30 -10.644 3.008 4.798 1.00 0.00 N ATOM 0 H ARG A 30 -9.093 -4.230 5.251 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.328 -3.330 3.360 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.440 -2.265 4.507 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.283 -1.562 5.620 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.406 -0.132 4.041 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.682 -1.240 2.712 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.316 0.325 2.249 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.244 -0.775 3.248 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.282 0.954 5.128 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.821 1.444 1.989 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.555 2.980 2.461 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.227 2.928 5.725 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.221 3.817 4.567 1.00 0.00 H new ATOM 418 N ARG A 31 -5.065 -3.176 4.350 1.00 0.00 N ATOM 419 CA ARG A 31 -3.716 -2.972 4.863 1.00 0.00 C ATOM 420 C ARG A 31 -3.329 -1.497 4.804 1.00 0.00 C ATOM 421 O ARG A 31 -3.937 -0.714 4.075 1.00 0.00 O ATOM 422 CB ARG A 31 -2.712 -3.806 4.064 1.00 0.00 C ATOM 423 CG ARG A 31 -1.574 -4.360 4.906 1.00 0.00 C ATOM 424 CD ARG A 31 -0.532 -5.057 4.045 1.00 0.00 C ATOM 425 NE ARG A 31 0.356 -5.903 4.838 1.00 0.00 N ATOM 426 CZ ARG A 31 0.143 -7.196 5.051 1.00 0.00 C ATOM 427 NH1 ARG A 31 -0.924 -7.790 4.533 1.00 0.00 N ATOM 428 NH2 ARG A 31 0.997 -7.899 5.784 1.00 0.00 N ATOM 0 H ARG A 31 -5.104 -3.543 3.399 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.698 -3.293 5.904 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.237 -4.634 3.588 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.296 -3.192 3.265 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.104 -3.549 5.463 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.971 -5.062 5.639 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.032 -5.664 3.290 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.058 -4.310 3.514 1.00 0.00 H new ATOM 0 HE ARG A 31 1.186 -5.477 5.251 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.583 -7.253 3.969 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.085 -8.784 4.698 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.818 -7.446 6.185 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.832 -8.892 5.947 1.00 0.00 H new ATOM 442 N SER A 32 -2.314 -1.125 5.578 1.00 0.00 N ATOM 443 CA SER A 32 -1.849 0.256 5.618 1.00 0.00 C ATOM 444 C SER A 32 -0.366 0.340 5.271 1.00 0.00 C ATOM 445 O SER A 32 0.467 -0.320 5.893 1.00 0.00 O ATOM 446 CB SER A 32 -2.097 0.860 7.001 1.00 0.00 C ATOM 447 OG SER A 32 -3.480 0.882 7.309 1.00 0.00 O ATOM 0 H SER A 32 -1.798 -1.761 6.186 1.00 0.00 H new ATOM 0 HA SER A 32 -2.410 0.824 4.876 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.563 0.281 7.755 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.698 1.874 7.035 1.00 0.00 H new ATOM 0 HG SER A 32 -3.611 1.271 8.199 1.00 0.00 H new ATOM 453 N CYS A 33 -0.043 1.157 4.274 1.00 0.00 N ATOM 454 CA CYS A 33 1.339 1.329 3.843 1.00 0.00 C ATOM 455 C CYS A 33 2.212 1.817 4.996 1.00 0.00 C ATOM 456 O CYS A 33 1.707 2.285 6.016 1.00 0.00 O ATOM 457 CB CYS A 33 1.413 2.319 2.679 1.00 0.00 C ATOM 458 SG CYS A 33 3.061 2.447 1.915 1.00 0.00 S ATOM 0 H CYS A 33 -0.720 1.711 3.749 1.00 0.00 H new ATOM 0 HA CYS A 33 1.713 0.360 3.512 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.693 2.021 1.917 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.112 3.304 3.034 1.00 0.00 H new ATOM 463 N SER A 34 3.525 1.703 4.825 1.00 0.00 N ATOM 464 CA SER A 34 4.469 2.128 5.852 1.00 0.00 C ATOM 465 C SER A 34 5.059 3.494 5.515 1.00 0.00 C ATOM 466 O SER A 34 5.365 4.287 6.405 1.00 0.00 O ATOM 467 CB SER A 34 5.591 1.099 6.002 1.00 0.00 C ATOM 468 OG SER A 34 6.095 1.083 7.326 1.00 0.00 O ATOM 0 H SER A 34 3.959 1.320 3.985 1.00 0.00 H new ATOM 0 HA SER A 34 3.929 2.206 6.796 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.218 0.109 5.740 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.397 1.331 5.306 1.00 0.00 H new ATOM 0 HG SER A 34 7.046 1.320 7.317 1.00 0.00 H new ATOM 474 N ASN A 35 5.216 3.762 4.222 1.00 0.00 N ATOM 475 CA ASN A 35 5.770 5.031 3.766 1.00 0.00 C ATOM 476 C ASN A 35 4.680 6.094 3.660 1.00 0.00 C ATOM 477 O ASN A 35 4.583 6.986 4.503 1.00 0.00 O ATOM 478 CB ASN A 35 6.458 4.854 2.411 1.00 0.00 C ATOM 479 CG ASN A 35 6.794 6.179 1.755 1.00 0.00 C ATOM 480 OD1 ASN A 35 7.132 7.151 2.431 1.00 0.00 O ATOM 481 ND2 ASN A 35 6.702 6.224 0.431 1.00 0.00 N ATOM 0 H ASN A 35 4.967 3.117 3.472 1.00 0.00 H new ATOM 0 HA ASN A 35 6.506 5.362 4.499 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.372 4.275 2.544 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.810 4.279 1.750 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.915 7.089 -0.066 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.418 5.394 -0.089 1.00 0.00 H new ATOM 488 N CYS A 36 3.860 5.991 2.619 1.00 0.00 N ATOM 489 CA CYS A 36 2.777 6.942 2.402 1.00 0.00 C ATOM 490 C CYS A 36 1.735 6.843 3.512 1.00 0.00 C ATOM 491 O CYS A 36 1.150 7.845 3.921 1.00 0.00 O ATOM 492 CB CYS A 36 2.117 6.693 1.044 1.00 0.00 C ATOM 493 SG CYS A 36 1.108 5.178 0.975 1.00 0.00 S ATOM 0 H CYS A 36 3.925 5.258 1.913 1.00 0.00 H new ATOM 0 HA CYS A 36 3.201 7.946 2.415 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.488 7.548 0.796 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.892 6.636 0.280 1.00 0.00 H new ATOM 498 N GLY A 37 1.508 5.625 3.997 1.00 0.00 N ATOM 499 CA GLY A 37 0.538 5.417 5.055 1.00 0.00 C ATOM 500 C GLY A 37 -0.889 5.423 4.543 1.00 0.00 C ATOM 501 O GLY A 37 -1.792 5.930 5.207 1.00 0.00 O ATOM 0 H GLY A 37 1.979 4.779 3.675 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.740 4.466 5.547 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.654 6.196 5.808 1.00 0.00 H new ATOM 505 N ASN A 38 -1.092 4.859 3.356 1.00 0.00 N ATOM 506 CA ASN A 38 -2.420 4.803 2.754 1.00 0.00 C ATOM 507 C ASN A 38 -2.968 3.380 2.778 1.00 0.00 C ATOM 508 O ASN A 38 -2.275 2.443 3.174 1.00 0.00 O ATOM 509 CB ASN A 38 -2.371 5.319 1.315 1.00 0.00 C ATOM 510 CG ASN A 38 -1.604 6.622 1.193 1.00 0.00 C ATOM 511 OD1 ASN A 38 -1.447 7.356 2.169 1.00 0.00 O ATOM 512 ND2 ASN A 38 -1.122 6.914 -0.009 1.00 0.00 N ATOM 0 H ASN A 38 -0.355 4.435 2.793 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.085 5.439 3.339 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.907 4.566 0.678 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.388 5.463 0.949 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.597 7.777 -0.152 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -1.277 6.276 -0.789 1.00 0.00 H new ATOM 519 N SER A 39 -4.218 3.226 2.351 1.00 0.00 N ATOM 520 CA SER A 39 -4.861 1.918 2.325 1.00 0.00 C ATOM 521 C SER A 39 -4.466 1.142 1.072 1.00 0.00 C ATOM 522 O SER A 39 -4.341 1.712 -0.011 1.00 0.00 O ATOM 523 CB SER A 39 -6.382 2.073 2.384 1.00 0.00 C ATOM 524 OG SER A 39 -6.800 2.516 3.663 1.00 0.00 O ATOM 0 H SER A 39 -4.805 3.991 2.019 1.00 0.00 H new ATOM 0 HA SER A 39 -4.525 1.359 3.198 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.708 2.784 1.625 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.857 1.120 2.153 1.00 0.00 H new ATOM 0 HG SER A 39 -7.776 2.609 3.674 1.00 0.00 H new ATOM 530 N PHE A 40 -4.271 -0.163 1.229 1.00 0.00 N ATOM 531 CA PHE A 40 -3.889 -1.019 0.112 1.00 0.00 C ATOM 532 C PHE A 40 -4.296 -2.467 0.372 1.00 0.00 C ATOM 533 O PHE A 40 -4.599 -2.845 1.504 1.00 0.00 O ATOM 534 CB PHE A 40 -2.380 -0.937 -0.128 1.00 0.00 C ATOM 535 CG PHE A 40 -1.941 0.359 -0.747 1.00 0.00 C ATOM 536 CD1 PHE A 40 -2.121 0.591 -2.102 1.00 0.00 C ATOM 537 CD2 PHE A 40 -1.348 1.345 0.024 1.00 0.00 C ATOM 538 CE1 PHE A 40 -1.718 1.783 -2.675 1.00 0.00 C ATOM 539 CE2 PHE A 40 -0.945 2.539 -0.543 1.00 0.00 C ATOM 540 CZ PHE A 40 -1.129 2.758 -1.894 1.00 0.00 C ATOM 0 H PHE A 40 -4.371 -0.651 2.119 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.411 -0.667 -0.778 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.861 -1.071 0.821 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.078 -1.760 -0.775 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.581 -0.168 -2.717 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.199 1.179 1.081 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.864 1.951 -3.732 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.486 3.301 0.070 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.813 3.690 -2.339 1.00 0.00 H new ATOM 550 N CYS A 41 -4.301 -3.272 -0.685 1.00 0.00 N ATOM 551 CA CYS A 41 -4.671 -4.678 -0.575 1.00 0.00 C ATOM 552 C CYS A 41 -3.461 -5.532 -0.208 1.00 0.00 C ATOM 553 O CYS A 41 -2.344 -5.027 -0.093 1.00 0.00 O ATOM 554 CB CYS A 41 -5.279 -5.172 -1.889 1.00 0.00 C ATOM 555 SG CYS A 41 -4.141 -5.094 -3.309 1.00 0.00 S ATOM 0 H CYS A 41 -4.053 -2.974 -1.628 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.413 -4.771 0.218 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.611 -6.202 -1.759 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.165 -4.578 -2.113 1.00 0.00 H new ATOM 560 N SER A 42 -3.692 -6.828 -0.026 1.00 0.00 N ATOM 561 CA SER A 42 -2.622 -7.752 0.331 1.00 0.00 C ATOM 562 C SER A 42 -1.792 -8.122 -0.894 1.00 0.00 C ATOM 563 O SER A 42 -0.976 -9.042 -0.850 1.00 0.00 O ATOM 564 CB SER A 42 -3.203 -9.016 0.968 1.00 0.00 C ATOM 565 OG SER A 42 -3.952 -9.764 0.027 1.00 0.00 O ATOM 0 H SER A 42 -4.610 -7.262 -0.120 1.00 0.00 H new ATOM 0 HA SER A 42 -1.972 -7.256 1.052 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.395 -9.631 1.366 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.840 -8.743 1.810 1.00 0.00 H new ATOM 0 HG SER A 42 -4.311 -10.567 0.459 1.00 0.00 H new ATOM 571 N ARG A 43 -2.008 -7.397 -1.988 1.00 0.00 N ATOM 572 CA ARG A 43 -1.282 -7.649 -3.227 1.00 0.00 C ATOM 573 C ARG A 43 -0.439 -6.439 -3.618 1.00 0.00 C ATOM 574 O ARG A 43 0.603 -6.576 -4.260 1.00 0.00 O ATOM 575 CB ARG A 43 -2.257 -7.991 -4.354 1.00 0.00 C ATOM 576 CG ARG A 43 -1.573 -8.357 -5.661 1.00 0.00 C ATOM 577 CD ARG A 43 -2.474 -9.209 -6.542 1.00 0.00 C ATOM 578 NE ARG A 43 -1.709 -10.009 -7.495 1.00 0.00 N ATOM 579 CZ ARG A 43 -2.219 -10.495 -8.621 1.00 0.00 C ATOM 580 NH1 ARG A 43 -3.486 -10.265 -8.933 1.00 0.00 N ATOM 581 NH2 ARG A 43 -1.459 -11.214 -9.438 1.00 0.00 N ATOM 0 H ARG A 43 -2.680 -6.631 -2.041 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.616 -8.496 -3.063 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.887 -8.823 -4.038 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.915 -7.139 -4.524 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.295 -7.448 -6.194 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.650 -8.898 -5.451 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.075 -9.868 -5.916 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.166 -8.564 -7.083 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.730 -10.205 -7.284 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.073 -9.713 -8.308 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.874 -10.640 -9.799 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.483 -11.393 -9.201 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.851 -11.587 -10.303 1.00 0.00 H new ATOM 595 N CYS A 44 -0.898 -5.254 -3.229 1.00 0.00 N ATOM 596 CA CYS A 44 -0.188 -4.019 -3.539 1.00 0.00 C ATOM 597 C CYS A 44 0.784 -3.655 -2.421 1.00 0.00 C ATOM 598 O CYS A 44 1.871 -3.132 -2.675 1.00 0.00 O ATOM 599 CB CYS A 44 -1.182 -2.877 -3.758 1.00 0.00 C ATOM 600 SG CYS A 44 -2.083 -2.968 -5.339 1.00 0.00 S ATOM 0 H CYS A 44 -1.759 -5.123 -2.698 1.00 0.00 H new ATOM 0 HA CYS A 44 0.382 -4.176 -4.455 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.903 -2.876 -2.941 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.646 -1.929 -3.712 1.00 0.00 H new ATOM 605 N CYS A 45 0.387 -3.934 -1.185 1.00 0.00 N ATOM 606 CA CYS A 45 1.223 -3.635 -0.027 1.00 0.00 C ATOM 607 C CYS A 45 2.034 -4.859 0.388 1.00 0.00 C ATOM 608 O CYS A 45 2.239 -5.106 1.576 1.00 0.00 O ATOM 609 CB CYS A 45 0.359 -3.160 1.142 1.00 0.00 C ATOM 610 SG CYS A 45 1.282 -2.305 2.441 1.00 0.00 S ATOM 0 H CYS A 45 -0.508 -4.367 -0.958 1.00 0.00 H new ATOM 0 HA CYS A 45 1.915 -2.840 -0.304 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.414 -2.493 0.761 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.149 -4.020 1.578 1.00 0.00 H new ATOM 0 HG CYS A 45 0.466 -1.940 3.385 1.00 0.00 H new ATOM 616 N SER A 46 2.491 -5.622 -0.599 1.00 0.00 N ATOM 617 CA SER A 46 3.275 -6.823 -0.337 1.00 0.00 C ATOM 618 C SER A 46 4.723 -6.634 -0.779 1.00 0.00 C ATOM 619 O SER A 46 5.358 -7.565 -1.276 1.00 0.00 O ATOM 620 CB SER A 46 2.662 -8.026 -1.057 1.00 0.00 C ATOM 621 OG SER A 46 3.024 -8.038 -2.427 1.00 0.00 O ATOM 0 H SER A 46 2.332 -5.430 -1.588 1.00 0.00 H new ATOM 0 HA SER A 46 3.263 -7.007 0.737 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.996 -8.948 -0.581 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.576 -7.995 -0.965 1.00 0.00 H new ATOM 0 HG SER A 46 3.979 -8.241 -2.511 1.00 0.00 H new ATOM 627 N PHE A 47 5.238 -5.424 -0.595 1.00 0.00 N ATOM 628 CA PHE A 47 6.610 -5.111 -0.976 1.00 0.00 C ATOM 629 C PHE A 47 7.432 -4.697 0.241 1.00 0.00 C ATOM 630 O PHE A 47 7.138 -3.694 0.892 1.00 0.00 O ATOM 631 CB PHE A 47 6.630 -3.994 -2.022 1.00 0.00 C ATOM 632 CG PHE A 47 6.049 -4.402 -3.346 1.00 0.00 C ATOM 633 CD1 PHE A 47 6.830 -5.049 -4.290 1.00 0.00 C ATOM 634 CD2 PHE A 47 4.722 -4.139 -3.645 1.00 0.00 C ATOM 635 CE1 PHE A 47 6.298 -5.425 -5.509 1.00 0.00 C ATOM 636 CE2 PHE A 47 4.184 -4.512 -4.863 1.00 0.00 C ATOM 637 CZ PHE A 47 4.973 -5.157 -5.795 1.00 0.00 C ATOM 0 H PHE A 47 4.726 -4.643 -0.184 1.00 0.00 H new ATOM 0 HA PHE A 47 7.055 -6.009 -1.405 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.074 -3.138 -1.639 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.658 -3.665 -2.171 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.866 -5.262 -4.071 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.101 -3.637 -2.918 1.00 0.00 H new ATOM 0 HE1 PHE A 47 6.917 -5.928 -6.237 1.00 0.00 H new ATOM 0 HE2 PHE A 47 3.149 -4.299 -5.085 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.555 -5.452 -6.746 1.00 0.00 H new ATOM 647 N LYS A 48 8.463 -5.478 0.545 1.00 0.00 N ATOM 648 CA LYS A 48 9.329 -5.195 1.683 1.00 0.00 C ATOM 649 C LYS A 48 10.470 -4.266 1.281 1.00 0.00 C ATOM 650 O LYS A 48 11.275 -4.596 0.409 1.00 0.00 O ATOM 651 CB LYS A 48 9.895 -6.496 2.256 1.00 0.00 C ATOM 652 CG LYS A 48 8.880 -7.305 3.046 1.00 0.00 C ATOM 653 CD LYS A 48 9.492 -8.581 3.599 1.00 0.00 C ATOM 654 CE LYS A 48 10.397 -8.295 4.788 1.00 0.00 C ATOM 655 NZ LYS A 48 9.629 -8.212 6.061 1.00 0.00 N ATOM 0 H LYS A 48 8.719 -6.313 0.018 1.00 0.00 H new ATOM 0 HA LYS A 48 8.731 -4.698 2.447 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.277 -7.107 1.439 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.741 -6.261 2.901 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.492 -6.702 3.866 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.034 -7.554 2.405 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.699 -9.265 3.900 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.064 -9.080 2.817 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.150 -9.079 4.868 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.929 -7.358 4.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.116 -7.571 6.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.674 -7.848 5.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.559 -9.158 6.487 1.00 0.00 H new ATOM 669 N VAL A 49 10.535 -3.104 1.922 1.00 0.00 N ATOM 670 CA VAL A 49 11.580 -2.128 1.633 1.00 0.00 C ATOM 671 C VAL A 49 12.236 -1.629 2.916 1.00 0.00 C ATOM 672 O VAL A 49 11.623 -1.592 3.982 1.00 0.00 O ATOM 673 CB VAL A 49 11.022 -0.923 0.853 1.00 0.00 C ATOM 674 CG1 VAL A 49 10.340 -1.384 -0.426 1.00 0.00 C ATOM 675 CG2 VAL A 49 10.060 -0.126 1.722 1.00 0.00 C ATOM 0 H VAL A 49 9.876 -2.815 2.645 1.00 0.00 H new ATOM 0 HA VAL A 49 12.326 -2.635 1.020 1.00 0.00 H new ATOM 0 HB VAL A 49 11.853 -0.273 0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.952 -0.519 -0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.060 -1.908 -1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.518 -2.056 -0.178 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.675 0.722 1.155 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.231 -0.765 2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.584 0.237 2.607 1.00 0.00 H new ATOM 685 N PRO A 50 13.514 -1.236 2.812 1.00 0.00 N ATOM 686 CA PRO A 50 14.283 -0.731 3.954 1.00 0.00 C ATOM 687 C PRO A 50 13.797 0.637 4.419 1.00 0.00 C ATOM 688 O PRO A 50 13.589 1.542 3.611 1.00 0.00 O ATOM 689 CB PRO A 50 15.709 -0.635 3.407 1.00 0.00 C ATOM 690 CG PRO A 50 15.540 -0.473 1.935 1.00 0.00 C ATOM 691 CD PRO A 50 14.308 -1.254 1.571 1.00 0.00 C ATOM 0 HA PRO A 50 14.190 -1.377 4.827 1.00 0.00 H new ATOM 0 HB2 PRO A 50 16.243 0.211 3.840 1.00 0.00 H new ATOM 0 HB3 PRO A 50 16.285 -1.530 3.643 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.429 0.578 1.668 1.00 0.00 H new ATOM 0 HG3 PRO A 50 16.412 -0.847 1.399 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.770 -0.793 0.743 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.553 -2.271 1.265 1.00 0.00 H new ATOM 699 N LYS A 51 13.618 0.783 5.728 1.00 0.00 N ATOM 700 CA LYS A 51 13.159 2.041 6.303 1.00 0.00 C ATOM 701 C LYS A 51 14.323 3.008 6.497 1.00 0.00 C ATOM 702 O LYS A 51 14.393 3.716 7.502 1.00 0.00 O ATOM 703 CB LYS A 51 12.462 1.790 7.642 1.00 0.00 C ATOM 704 CG LYS A 51 13.346 1.105 8.669 1.00 0.00 C ATOM 705 CD LYS A 51 12.849 1.348 10.084 1.00 0.00 C ATOM 706 CE LYS A 51 11.769 0.351 10.474 1.00 0.00 C ATOM 707 NZ LYS A 51 11.670 0.190 11.951 1.00 0.00 N ATOM 0 H LYS A 51 13.784 0.044 6.411 1.00 0.00 H new ATOM 0 HA LYS A 51 12.448 2.490 5.609 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.119 2.742 8.047 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.576 1.178 7.472 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.372 0.034 8.471 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.368 1.472 8.573 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.683 1.274 10.782 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.456 2.362 10.164 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.809 0.683 10.080 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.984 -0.615 10.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.923 -0.498 12.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.579 -0.151 12.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.439 1.106 12.385 1.00 0.00 H new ATOM 721 N SER A 52 15.234 3.032 5.529 1.00 0.00 N ATOM 722 CA SER A 52 16.396 3.911 5.596 1.00 0.00 C ATOM 723 C SER A 52 16.547 4.711 4.306 1.00 0.00 C ATOM 724 O SER A 52 17.650 5.115 3.938 1.00 0.00 O ATOM 725 CB SER A 52 17.664 3.095 5.854 1.00 0.00 C ATOM 726 OG SER A 52 18.725 3.926 6.293 1.00 0.00 O ATOM 0 H SER A 52 15.190 2.454 4.690 1.00 0.00 H new ATOM 0 HA SER A 52 16.246 4.608 6.420 1.00 0.00 H new ATOM 0 HB2 SER A 52 17.462 2.331 6.605 1.00 0.00 H new ATOM 0 HB3 SER A 52 17.958 2.576 4.942 1.00 0.00 H new ATOM 0 HG SER A 52 18.829 4.678 5.674 1.00 0.00 H new ATOM 732 N SER A 53 15.429 4.936 3.622 1.00 0.00 N ATOM 733 CA SER A 53 15.436 5.684 2.371 1.00 0.00 C ATOM 734 C SER A 53 14.509 6.893 2.456 1.00 0.00 C ATOM 735 O SER A 53 14.835 7.974 1.965 1.00 0.00 O ATOM 736 CB SER A 53 15.010 4.782 1.211 1.00 0.00 C ATOM 737 OG SER A 53 13.629 4.473 1.285 1.00 0.00 O ATOM 0 H SER A 53 14.507 4.611 3.914 1.00 0.00 H new ATOM 0 HA SER A 53 16.452 6.038 2.193 1.00 0.00 H new ATOM 0 HB2 SER A 53 15.225 5.277 0.264 1.00 0.00 H new ATOM 0 HB3 SER A 53 15.593 3.861 1.229 1.00 0.00 H new ATOM 0 HG SER A 53 13.382 3.897 0.532 1.00 0.00 H new ATOM 743 N MET A 54 13.353 6.702 3.083 1.00 0.00 N ATOM 744 CA MET A 54 12.380 7.778 3.234 1.00 0.00 C ATOM 745 C MET A 54 13.039 9.033 3.797 1.00 0.00 C ATOM 746 O MET A 54 12.754 10.146 3.357 1.00 0.00 O ATOM 747 CB MET A 54 11.236 7.334 4.149 1.00 0.00 C ATOM 748 CG MET A 54 10.524 6.081 3.667 1.00 0.00 C ATOM 749 SD MET A 54 9.689 5.200 5.001 1.00 0.00 S ATOM 750 CE MET A 54 9.673 3.533 4.347 1.00 0.00 C ATOM 0 H MET A 54 13.067 5.813 3.494 1.00 0.00 H new ATOM 0 HA MET A 54 11.978 8.012 2.248 1.00 0.00 H new ATOM 0 HB2 MET A 54 11.630 7.156 5.150 1.00 0.00 H new ATOM 0 HB3 MET A 54 10.512 8.145 4.231 1.00 0.00 H new ATOM 0 HG2 MET A 54 9.795 6.353 2.904 1.00 0.00 H new ATOM 0 HG3 MET A 54 11.247 5.416 3.194 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.655 3.144 4.367 1.00 0.00 H new ATOM 0 HE2 MET A 54 10.038 3.542 3.320 1.00 0.00 H new ATOM 0 HE3 MET A 54 10.316 2.897 4.956 1.00 0.00 H new ATOM 760 N GLY A 55 13.922 8.845 4.773 1.00 0.00 N ATOM 761 CA GLY A 55 14.607 9.972 5.380 1.00 0.00 C ATOM 762 C GLY A 55 14.782 9.806 6.877 1.00 0.00 C ATOM 763 O GLY A 55 14.558 10.744 7.642 1.00 0.00 O ATOM 0 H GLY A 55 14.175 7.933 5.154 1.00 0.00 H new ATOM 0 HA2 GLY A 55 15.585 10.093 4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 55 14.045 10.885 5.182 1.00 0.00 H new ATOM 767 N ALA A 56 15.182 8.610 7.295 1.00 0.00 N ATOM 768 CA ALA A 56 15.387 8.325 8.710 1.00 0.00 C ATOM 769 C ALA A 56 16.720 7.621 8.941 1.00 0.00 C ATOM 770 O ALA A 56 16.808 6.677 9.727 1.00 0.00 O ATOM 771 CB ALA A 56 14.242 7.481 9.250 1.00 0.00 C ATOM 0 H ALA A 56 15.371 7.823 6.674 1.00 0.00 H new ATOM 0 HA ALA A 56 15.409 9.274 9.246 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.408 7.276 10.308 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.303 8.021 9.128 1.00 0.00 H new ATOM 0 HB3 ALA A 56 14.193 6.540 8.701 1.00 0.00 H new ATOM 777 N THR A 57 17.756 8.085 8.249 1.00 0.00 N ATOM 778 CA THR A 57 19.084 7.498 8.377 1.00 0.00 C ATOM 779 C THR A 57 19.409 7.186 9.834 1.00 0.00 C ATOM 780 O THR A 57 19.630 8.090 10.638 1.00 0.00 O ATOM 781 CB THR A 57 20.169 8.434 7.811 1.00 0.00 C ATOM 782 OG1 THR A 57 20.201 9.655 8.557 1.00 0.00 O ATOM 783 CG2 THR A 57 19.908 8.737 6.343 1.00 0.00 C ATOM 0 H THR A 57 17.701 8.865 7.594 1.00 0.00 H new ATOM 0 HA THR A 57 19.077 6.572 7.802 1.00 0.00 H new ATOM 0 HB THR A 57 21.133 7.932 7.897 1.00 0.00 H new ATOM 0 HG1 THR A 57 19.994 9.470 9.497 1.00 0.00 H new ATOM 0 HG21 THR A 57 20.686 9.399 5.964 1.00 0.00 H new ATOM 0 HG22 THR A 57 19.913 7.808 5.773 1.00 0.00 H new ATOM 0 HG23 THR A 57 18.937 9.221 6.238 1.00 0.00 H new ATOM 791 N ALA A 58 19.438 5.899 10.166 1.00 0.00 N ATOM 792 CA ALA A 58 19.739 5.468 11.525 1.00 0.00 C ATOM 793 C ALA A 58 20.574 4.192 11.524 1.00 0.00 C ATOM 794 O ALA A 58 20.444 3.337 10.648 1.00 0.00 O ATOM 795 CB ALA A 58 18.452 5.257 12.309 1.00 0.00 C ATOM 0 H ALA A 58 19.257 5.137 9.512 1.00 0.00 H new ATOM 0 HA ALA A 58 20.322 6.253 12.008 1.00 0.00 H new ATOM 0 HB1 ALA A 58 18.692 4.935 13.322 1.00 0.00 H new ATOM 0 HB2 ALA A 58 17.892 6.192 12.348 1.00 0.00 H new ATOM 0 HB3 ALA A 58 17.849 4.493 11.819 1.00 0.00 H new ATOM 801 N PRO A 59 21.455 4.060 12.527 1.00 0.00 N ATOM 802 CA PRO A 59 22.330 2.891 12.664 1.00 0.00 C ATOM 803 C PRO A 59 21.559 1.631 13.043 1.00 0.00 C ATOM 804 O PRO A 59 22.148 0.571 13.247 1.00 0.00 O ATOM 805 CB PRO A 59 23.285 3.293 13.790 1.00 0.00 C ATOM 806 CG PRO A 59 22.529 4.299 14.587 1.00 0.00 C ATOM 807 CD PRO A 59 21.664 5.040 13.606 1.00 0.00 C ATOM 0 HA PRO A 59 22.832 2.646 11.728 1.00 0.00 H new ATOM 0 HB2 PRO A 59 23.563 2.433 14.399 1.00 0.00 H new ATOM 0 HB3 PRO A 59 24.209 3.715 13.394 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.923 3.815 15.353 1.00 0.00 H new ATOM 0 HG3 PRO A 59 23.208 4.980 15.101 1.00 0.00 H new ATOM 0 HD2 PRO A 59 20.721 5.350 14.056 1.00 0.00 H new ATOM 0 HD3 PRO A 59 22.154 5.942 13.240 1.00 0.00 H new ATOM 815 N GLU A 60 20.239 1.756 13.136 1.00 0.00 N ATOM 816 CA GLU A 60 19.388 0.626 13.492 1.00 0.00 C ATOM 817 C GLU A 60 18.232 0.484 12.507 1.00 0.00 C ATOM 818 O GLU A 60 17.818 -0.626 12.175 1.00 0.00 O ATOM 819 CB GLU A 60 18.845 0.795 14.913 1.00 0.00 C ATOM 820 CG GLU A 60 17.987 2.037 15.092 1.00 0.00 C ATOM 821 CD GLU A 60 17.851 2.447 16.546 1.00 0.00 C ATOM 822 OE1 GLU A 60 17.825 1.551 17.415 1.00 0.00 O ATOM 823 OE2 GLU A 60 17.772 3.664 16.813 1.00 0.00 O ATOM 0 H GLU A 60 19.736 2.628 12.970 1.00 0.00 H new ATOM 0 HA GLU A 60 19.993 -0.280 13.448 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.256 -0.084 15.175 1.00 0.00 H new ATOM 0 HB3 GLU A 60 19.682 0.838 15.610 1.00 0.00 H new ATOM 0 HG2 GLU A 60 18.423 2.860 14.525 1.00 0.00 H new ATOM 0 HG3 GLU A 60 16.996 1.853 14.676 1.00 0.00 H new ATOM 830 N ALA A 61 17.714 1.618 12.044 1.00 0.00 N ATOM 831 CA ALA A 61 16.606 1.621 11.097 1.00 0.00 C ATOM 832 C ALA A 61 17.098 1.357 9.677 1.00 0.00 C ATOM 833 O ALA A 61 16.671 2.019 8.731 1.00 0.00 O ATOM 834 CB ALA A 61 15.859 2.945 11.162 1.00 0.00 C ATOM 0 H ALA A 61 18.044 2.546 12.310 1.00 0.00 H new ATOM 0 HA ALA A 61 15.922 0.818 11.372 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.034 2.933 10.449 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.467 3.093 12.168 1.00 0.00 H new ATOM 0 HB3 ALA A 61 16.540 3.759 10.915 1.00 0.00 H new ATOM 840 N GLN A 62 17.997 0.389 9.537 1.00 0.00 N ATOM 841 CA GLN A 62 18.547 0.040 8.233 1.00 0.00 C ATOM 842 C GLN A 62 18.367 -1.447 7.946 1.00 0.00 C ATOM 843 O GLN A 62 18.091 -1.841 6.813 1.00 0.00 O ATOM 844 CB GLN A 62 20.030 0.409 8.166 1.00 0.00 C ATOM 845 CG GLN A 62 20.858 -0.195 9.288 1.00 0.00 C ATOM 846 CD GLN A 62 22.349 -0.063 9.049 1.00 0.00 C ATOM 847 OE1 GLN A 62 22.999 -0.997 8.579 1.00 0.00 O ATOM 848 NE2 GLN A 62 22.900 1.101 9.372 1.00 0.00 N ATOM 0 H GLN A 62 18.360 -0.168 10.311 1.00 0.00 H new ATOM 0 HA GLN A 62 18.005 0.605 7.475 1.00 0.00 H new ATOM 0 HB2 GLN A 62 20.435 0.080 7.209 1.00 0.00 H new ATOM 0 HB3 GLN A 62 20.128 1.494 8.197 1.00 0.00 H new ATOM 0 HG2 GLN A 62 20.600 0.293 10.228 1.00 0.00 H new ATOM 0 HG3 GLN A 62 20.603 -1.249 9.396 1.00 0.00 H new ATOM 0 HE21 GLN A 62 22.324 1.848 9.759 1.00 0.00 H new ATOM 0 HE22 GLN A 62 23.900 1.248 9.233 1.00 0.00 H new ATOM 857 N ARG A 63 18.526 -2.267 8.979 1.00 0.00 N ATOM 858 CA ARG A 63 18.382 -3.711 8.837 1.00 0.00 C ATOM 859 C ARG A 63 16.910 -4.113 8.825 1.00 0.00 C ATOM 860 O ARG A 63 16.532 -5.098 8.193 1.00 0.00 O ATOM 861 CB ARG A 63 19.109 -4.431 9.975 1.00 0.00 C ATOM 862 CG ARG A 63 20.618 -4.480 9.799 1.00 0.00 C ATOM 863 CD ARG A 63 21.019 -5.442 8.692 1.00 0.00 C ATOM 864 NE ARG A 63 21.273 -6.787 9.201 1.00 0.00 N ATOM 865 CZ ARG A 63 22.443 -7.178 9.693 1.00 0.00 C ATOM 866 NH1 ARG A 63 23.462 -6.331 9.743 1.00 0.00 N ATOM 867 NH2 ARG A 63 22.596 -8.419 10.138 1.00 0.00 N ATOM 0 H ARG A 63 18.755 -1.957 9.923 1.00 0.00 H new ATOM 0 HA ARG A 63 18.828 -4.004 7.886 1.00 0.00 H new ATOM 0 HB2 ARG A 63 18.877 -3.932 10.916 1.00 0.00 H new ATOM 0 HB3 ARG A 63 18.727 -5.449 10.052 1.00 0.00 H new ATOM 0 HG2 ARG A 63 20.991 -3.482 9.568 1.00 0.00 H new ATOM 0 HG3 ARG A 63 21.085 -4.786 10.735 1.00 0.00 H new ATOM 0 HD2 ARG A 63 20.229 -5.481 7.942 1.00 0.00 H new ATOM 0 HD3 ARG A 63 21.913 -5.068 8.193 1.00 0.00 H new ATOM 0 HE ARG A 63 20.510 -7.463 9.177 1.00 0.00 H new ATOM 0 HH11 ARG A 63 23.349 -5.376 9.403 1.00 0.00 H new ATOM 0 HH12 ARG A 63 24.359 -6.634 10.121 1.00 0.00 H new ATOM 0 HH21 ARG A 63 21.815 -9.074 10.102 1.00 0.00 H new ATOM 0 HH22 ARG A 63 23.495 -8.718 10.516 1.00 0.00 H new ATOM 881 N GLU A 64 16.086 -3.343 9.529 1.00 0.00 N ATOM 882 CA GLU A 64 14.656 -3.620 9.599 1.00 0.00 C ATOM 883 C GLU A 64 14.015 -3.528 8.217 1.00 0.00 C ATOM 884 O GLU A 64 14.559 -2.899 7.308 1.00 0.00 O ATOM 885 CB GLU A 64 13.971 -2.643 10.557 1.00 0.00 C ATOM 886 CG GLU A 64 12.669 -3.170 11.136 1.00 0.00 C ATOM 887 CD GLU A 64 12.749 -4.637 11.510 1.00 0.00 C ATOM 888 OE1 GLU A 64 13.670 -5.006 12.268 1.00 0.00 O ATOM 889 OE2 GLU A 64 11.891 -5.416 11.045 1.00 0.00 O ATOM 0 H GLU A 64 16.384 -2.524 10.058 1.00 0.00 H new ATOM 0 HA GLU A 64 14.527 -4.636 9.973 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.654 -2.409 11.374 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.773 -1.709 10.030 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.406 -2.588 12.019 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.869 -3.027 10.410 1.00 0.00 H new ATOM 896 N THR A 65 12.856 -4.160 8.066 1.00 0.00 N ATOM 897 CA THR A 65 12.141 -4.152 6.796 1.00 0.00 C ATOM 898 C THR A 65 10.670 -3.803 6.995 1.00 0.00 C ATOM 899 O THR A 65 9.995 -4.380 7.847 1.00 0.00 O ATOM 900 CB THR A 65 12.242 -5.515 6.085 1.00 0.00 C ATOM 901 OG1 THR A 65 11.855 -6.564 6.980 1.00 0.00 O ATOM 902 CG2 THR A 65 13.658 -5.762 5.588 1.00 0.00 C ATOM 0 H THR A 65 12.392 -4.684 8.808 1.00 0.00 H new ATOM 0 HA THR A 65 12.611 -3.391 6.174 1.00 0.00 H new ATOM 0 HB THR A 65 11.570 -5.504 5.227 1.00 0.00 H new ATOM 0 HG1 THR A 65 12.211 -7.418 6.656 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.705 -6.730 5.090 1.00 0.00 H new ATOM 0 HG22 THR A 65 13.939 -4.978 4.885 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.347 -5.755 6.433 1.00 0.00 H new ATOM 910 N VAL A 66 10.179 -2.856 6.202 1.00 0.00 N ATOM 911 CA VAL A 66 8.787 -2.431 6.290 1.00 0.00 C ATOM 912 C VAL A 66 8.039 -2.728 4.995 1.00 0.00 C ATOM 913 O VAL A 66 8.627 -2.736 3.914 1.00 0.00 O ATOM 914 CB VAL A 66 8.678 -0.927 6.600 1.00 0.00 C ATOM 915 CG1 VAL A 66 9.193 -0.631 8.001 1.00 0.00 C ATOM 916 CG2 VAL A 66 9.434 -0.113 5.562 1.00 0.00 C ATOM 0 H VAL A 66 10.725 -2.369 5.491 1.00 0.00 H new ATOM 0 HA VAL A 66 8.334 -2.996 7.105 1.00 0.00 H new ATOM 0 HB VAL A 66 7.627 -0.641 6.558 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.108 0.437 8.202 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.603 -1.186 8.730 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.238 -0.932 8.076 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.346 0.948 5.797 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.485 -0.400 5.569 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.013 -0.302 4.574 1.00 0.00 H new ATOM 926 N PHE A 67 6.738 -2.971 5.113 1.00 0.00 N ATOM 927 CA PHE A 67 5.908 -3.269 3.951 1.00 0.00 C ATOM 928 C PHE A 67 5.249 -2.002 3.414 1.00 0.00 C ATOM 929 O PHE A 67 4.619 -1.253 4.160 1.00 0.00 O ATOM 930 CB PHE A 67 4.837 -4.300 4.314 1.00 0.00 C ATOM 931 CG PHE A 67 5.346 -5.714 4.326 1.00 0.00 C ATOM 932 CD1 PHE A 67 5.356 -6.470 3.166 1.00 0.00 C ATOM 933 CD2 PHE A 67 5.814 -6.285 5.498 1.00 0.00 C ATOM 934 CE1 PHE A 67 5.823 -7.771 3.175 1.00 0.00 C ATOM 935 CE2 PHE A 67 6.282 -7.586 5.514 1.00 0.00 C ATOM 936 CZ PHE A 67 6.287 -8.329 4.350 1.00 0.00 C ATOM 0 H PHE A 67 6.236 -2.968 6.001 1.00 0.00 H new ATOM 0 HA PHE A 67 6.550 -3.681 3.173 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.431 -4.060 5.297 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.015 -4.224 3.602 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.995 -6.038 2.244 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.813 -5.707 6.410 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.825 -8.351 2.264 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.643 -8.020 6.435 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.653 -9.345 4.359 1.00 0.00 H new ATOM 946 N VAL A 68 5.401 -1.769 2.114 1.00 0.00 N ATOM 947 CA VAL A 68 4.821 -0.594 1.476 1.00 0.00 C ATOM 948 C VAL A 68 4.004 -0.982 0.248 1.00 0.00 C ATOM 949 O VAL A 68 3.960 -2.150 -0.138 1.00 0.00 O ATOM 950 CB VAL A 68 5.909 0.413 1.058 1.00 0.00 C ATOM 951 CG1 VAL A 68 6.759 0.808 2.256 1.00 0.00 C ATOM 952 CG2 VAL A 68 6.773 -0.168 -0.052 1.00 0.00 C ATOM 0 H VAL A 68 5.921 -2.379 1.483 1.00 0.00 H new ATOM 0 HA VAL A 68 4.167 -0.126 2.211 1.00 0.00 H new ATOM 0 HB VAL A 68 5.423 1.311 0.677 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.522 1.520 1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.126 1.266 3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.239 -0.079 2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.537 0.556 -0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.252 -1.081 0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.150 -0.396 -0.917 1.00 0.00 H new ATOM 962 N CYS A 69 3.360 0.006 -0.364 1.00 0.00 N ATOM 963 CA CYS A 69 2.544 -0.230 -1.549 1.00 0.00 C ATOM 964 C CYS A 69 3.375 -0.079 -2.820 1.00 0.00 C ATOM 965 O CYS A 69 4.311 0.718 -2.871 1.00 0.00 O ATOM 966 CB CYS A 69 1.362 0.740 -1.581 1.00 0.00 C ATOM 967 SG CYS A 69 1.830 2.473 -1.894 1.00 0.00 S ATOM 0 H CYS A 69 3.388 0.979 -0.058 1.00 0.00 H new ATOM 0 HA CYS A 69 2.166 -1.251 -1.502 1.00 0.00 H new ATOM 0 HB2 CYS A 69 0.663 0.419 -2.353 1.00 0.00 H new ATOM 0 HB3 CYS A 69 0.834 0.684 -0.629 1.00 0.00 H new ATOM 972 N ALA A 70 3.025 -0.851 -3.844 1.00 0.00 N ATOM 973 CA ALA A 70 3.736 -0.802 -5.115 1.00 0.00 C ATOM 974 C ALA A 70 4.091 0.633 -5.491 1.00 0.00 C ATOM 975 O ALA A 70 5.252 0.948 -5.748 1.00 0.00 O ATOM 976 CB ALA A 70 2.901 -1.446 -6.212 1.00 0.00 C ATOM 0 H ALA A 70 2.253 -1.518 -3.818 1.00 0.00 H new ATOM 0 HA ALA A 70 4.665 -1.361 -5.005 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.444 -1.402 -7.156 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.703 -2.487 -5.955 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.957 -0.911 -6.312 1.00 0.00 H new ATOM 982 N SER A 71 3.082 1.498 -5.522 1.00 0.00 N ATOM 983 CA SER A 71 3.287 2.899 -5.871 1.00 0.00 C ATOM 984 C SER A 71 4.524 3.457 -5.174 1.00 0.00 C ATOM 985 O SER A 71 5.324 4.171 -5.779 1.00 0.00 O ATOM 986 CB SER A 71 2.057 3.726 -5.493 1.00 0.00 C ATOM 987 OG SER A 71 1.965 4.896 -6.288 1.00 0.00 O ATOM 0 H SER A 71 2.115 1.253 -5.310 1.00 0.00 H new ATOM 0 HA SER A 71 3.440 2.961 -6.948 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.157 3.124 -5.620 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.110 4.001 -4.440 1.00 0.00 H new ATOM 0 HG SER A 71 1.170 5.406 -6.028 1.00 0.00 H new ATOM 993 N CYS A 72 4.673 3.127 -3.895 1.00 0.00 N ATOM 994 CA CYS A 72 5.811 3.595 -3.112 1.00 0.00 C ATOM 995 C CYS A 72 7.048 2.745 -3.389 1.00 0.00 C ATOM 996 O CYS A 72 8.053 3.241 -3.895 1.00 0.00 O ATOM 997 CB CYS A 72 5.478 3.559 -1.619 1.00 0.00 C ATOM 998 SG CYS A 72 4.260 4.810 -1.099 1.00 0.00 S ATOM 0 H CYS A 72 4.020 2.537 -3.379 1.00 0.00 H new ATOM 0 HA CYS A 72 6.025 4.623 -3.405 1.00 0.00 H new ATOM 0 HB2 CYS A 72 5.097 2.569 -1.366 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.396 3.702 -1.049 1.00 0.00 H new ATOM 1003 N ASN A 73 6.965 1.462 -3.054 1.00 0.00 N ATOM 1004 CA ASN A 73 8.077 0.543 -3.266 1.00 0.00 C ATOM 1005 C ASN A 73 8.816 0.873 -4.560 1.00 0.00 C ATOM 1006 O ASN A 73 10.045 0.845 -4.607 1.00 0.00 O ATOM 1007 CB ASN A 73 7.572 -0.901 -3.308 1.00 0.00 C ATOM 1008 CG ASN A 73 8.657 -1.882 -3.708 1.00 0.00 C ATOM 1009 OD1 ASN A 73 9.433 -2.341 -2.871 1.00 0.00 O ATOM 1010 ND2 ASN A 73 8.716 -2.207 -4.995 1.00 0.00 N ATOM 0 H ASN A 73 6.139 1.035 -2.635 1.00 0.00 H new ATOM 0 HA ASN A 73 8.771 0.654 -2.433 1.00 0.00 H new ATOM 0 HB2 ASN A 73 7.182 -1.175 -2.328 1.00 0.00 H new ATOM 0 HB3 ASN A 73 6.743 -0.973 -4.013 1.00 0.00 H new ATOM 0 HD21 ASN A 73 9.426 -2.862 -5.324 1.00 0.00 H new ATOM 0 HD22 ASN A 73 8.052 -1.802 -5.654 1.00 0.00 H new ATOM 1017 N GLN A 74 8.057 1.185 -5.605 1.00 0.00 N ATOM 1018 CA GLN A 74 8.641 1.520 -6.899 1.00 0.00 C ATOM 1019 C GLN A 74 9.456 2.806 -6.811 1.00 0.00 C ATOM 1020 O GLN A 74 10.567 2.887 -7.338 1.00 0.00 O ATOM 1021 CB GLN A 74 7.543 1.670 -7.954 1.00 0.00 C ATOM 1022 CG GLN A 74 6.856 0.360 -8.307 1.00 0.00 C ATOM 1023 CD GLN A 74 7.674 -0.489 -9.260 1.00 0.00 C ATOM 1024 OE1 GLN A 74 7.704 -0.237 -10.465 1.00 0.00 O ATOM 1025 NE2 GLN A 74 8.344 -1.503 -8.724 1.00 0.00 N ATOM 0 H GLN A 74 7.038 1.213 -5.582 1.00 0.00 H new ATOM 0 HA GLN A 74 9.307 0.708 -7.190 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.796 2.376 -7.591 1.00 0.00 H new ATOM 0 HB3 GLN A 74 7.975 2.099 -8.858 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.667 -0.205 -7.394 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.886 0.572 -8.757 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.291 -1.676 -7.720 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.912 -2.109 -9.316 1.00 0.00 H new ATOM 1034 N THR A 75 8.899 3.811 -6.142 1.00 0.00 N ATOM 1035 CA THR A 75 9.574 5.093 -5.987 1.00 0.00 C ATOM 1036 C THR A 75 10.780 4.971 -5.063 1.00 0.00 C ATOM 1037 O THR A 75 11.876 5.427 -5.392 1.00 0.00 O ATOM 1038 CB THR A 75 8.620 6.166 -5.428 1.00 0.00 C ATOM 1039 OG1 THR A 75 7.478 6.299 -6.283 1.00 0.00 O ATOM 1040 CG2 THR A 75 9.327 7.507 -5.305 1.00 0.00 C ATOM 0 H THR A 75 7.982 3.761 -5.699 1.00 0.00 H new ATOM 0 HA THR A 75 9.909 5.396 -6.979 1.00 0.00 H new ATOM 0 HB THR A 75 8.296 5.852 -4.436 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.823 5.603 -6.065 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.634 8.249 -4.908 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.178 7.409 -4.631 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.676 7.826 -6.287 1.00 0.00 H new ATOM 1048 N LEU A 76 10.572 4.354 -3.905 1.00 0.00 N ATOM 1049 CA LEU A 76 11.644 4.171 -2.932 1.00 0.00 C ATOM 1050 C LEU A 76 12.801 3.384 -3.538 1.00 0.00 C ATOM 1051 O LEU A 76 13.948 3.831 -3.516 1.00 0.00 O ATOM 1052 CB LEU A 76 11.116 3.449 -1.691 1.00 0.00 C ATOM 1053 CG LEU A 76 9.937 4.113 -0.979 1.00 0.00 C ATOM 1054 CD1 LEU A 76 9.425 3.227 0.146 1.00 0.00 C ATOM 1055 CD2 LEU A 76 10.338 5.480 -0.444 1.00 0.00 C ATOM 0 H LEU A 76 9.671 3.972 -3.617 1.00 0.00 H new ATOM 0 HA LEU A 76 12.011 5.156 -2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.819 2.441 -1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 76 11.935 3.348 -0.978 1.00 0.00 H new ATOM 0 HG LEU A 76 9.132 4.250 -1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.586 3.716 0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 76 9.098 2.271 -0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.224 3.058 0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.487 5.938 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.160 5.367 0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 76 10.655 6.116 -1.271 1.00 0.00 H new ATOM 1067 N SER A 77 12.492 2.211 -4.082 1.00 0.00 N ATOM 1068 CA SER A 77 13.507 1.361 -4.693 1.00 0.00 C ATOM 1069 C SER A 77 13.821 1.825 -6.112 1.00 0.00 C ATOM 1070 O SER A 77 13.938 1.014 -7.032 1.00 0.00 O ATOM 1071 CB SER A 77 13.038 -0.095 -4.712 1.00 0.00 C ATOM 1072 OG SER A 77 14.084 -0.962 -5.117 1.00 0.00 O ATOM 0 H SER A 77 11.547 1.828 -4.112 1.00 0.00 H new ATOM 0 HA SER A 77 14.416 1.435 -4.096 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.688 -0.381 -3.720 1.00 0.00 H new ATOM 0 HB3 SER A 77 12.192 -0.199 -5.391 1.00 0.00 H new ATOM 0 HG SER A 77 14.429 -0.674 -5.988 1.00 0.00 H new ATOM 1078 N LYS A 78 13.957 3.135 -6.283 1.00 0.00 N ATOM 1079 CA LYS A 78 14.259 3.710 -7.589 1.00 0.00 C ATOM 1080 C LYS A 78 15.127 4.956 -7.447 1.00 0.00 C ATOM 1081 O LYS A 78 14.689 5.972 -6.907 1.00 0.00 O ATOM 1082 CB LYS A 78 12.964 4.059 -8.327 1.00 0.00 C ATOM 1083 CG LYS A 78 13.185 4.871 -9.591 1.00 0.00 C ATOM 1084 CD LYS A 78 11.885 5.095 -10.344 1.00 0.00 C ATOM 1085 CE LYS A 78 11.974 6.304 -11.263 1.00 0.00 C ATOM 1086 NZ LYS A 78 10.630 6.752 -11.723 1.00 0.00 N ATOM 0 H LYS A 78 13.863 3.820 -5.533 1.00 0.00 H new ATOM 0 HA LYS A 78 14.811 2.968 -8.166 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.442 3.137 -8.584 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.312 4.618 -7.655 1.00 0.00 H new ATOM 0 HG2 LYS A 78 13.628 5.833 -9.334 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.896 4.355 -10.236 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.645 4.208 -10.930 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.071 5.236 -9.633 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.470 7.122 -10.740 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.590 6.058 -12.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.582 7.790 -11.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.469 6.424 -12.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.899 6.354 -11.099 1.00 0.00 H new ATOM 1100 N SER A 79 16.360 4.871 -7.937 1.00 0.00 N ATOM 1101 CA SER A 79 17.291 5.991 -7.863 1.00 0.00 C ATOM 1102 C SER A 79 17.190 6.865 -9.110 1.00 0.00 C ATOM 1103 O SER A 79 18.199 7.199 -9.730 1.00 0.00 O ATOM 1104 CB SER A 79 18.723 5.481 -7.697 1.00 0.00 C ATOM 1105 OG SER A 79 19.006 5.185 -6.341 1.00 0.00 O ATOM 0 H SER A 79 16.737 4.038 -8.389 1.00 0.00 H new ATOM 0 HA SER A 79 17.026 6.595 -6.995 1.00 0.00 H new ATOM 0 HB2 SER A 79 18.867 4.588 -8.305 1.00 0.00 H new ATOM 0 HB3 SER A 79 19.424 6.231 -8.062 1.00 0.00 H new ATOM 0 HG SER A 79 19.927 4.859 -6.263 1.00 0.00 H new ATOM 1111 N GLY A 80 15.964 7.231 -9.471 1.00 0.00 N ATOM 1112 CA GLY A 80 15.753 8.062 -10.642 1.00 0.00 C ATOM 1113 C GLY A 80 14.753 9.173 -10.392 1.00 0.00 C ATOM 1114 O GLY A 80 14.495 9.561 -9.252 1.00 0.00 O ATOM 0 H GLY A 80 15.113 6.967 -8.974 1.00 0.00 H new ATOM 0 HA2 GLY A 80 16.704 8.496 -10.952 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.403 7.441 -11.466 1.00 0.00 H new ATOM 1118 N PRO A 81 14.170 9.705 -11.477 1.00 0.00 N ATOM 1119 CA PRO A 81 13.183 10.786 -11.395 1.00 0.00 C ATOM 1120 C PRO A 81 11.862 10.321 -10.793 1.00 0.00 C ATOM 1121 O PRO A 81 11.031 9.726 -11.479 1.00 0.00 O ATOM 1122 CB PRO A 81 12.989 11.199 -12.856 1.00 0.00 C ATOM 1123 CG PRO A 81 13.345 9.986 -13.644 1.00 0.00 C ATOM 1124 CD PRO A 81 14.429 9.291 -12.866 1.00 0.00 C ATOM 0 HA PRO A 81 13.519 11.597 -10.749 1.00 0.00 H new ATOM 0 HB2 PRO A 81 11.961 11.507 -13.047 1.00 0.00 H new ATOM 0 HB3 PRO A 81 13.628 12.042 -13.117 1.00 0.00 H new ATOM 0 HG2 PRO A 81 12.479 9.336 -13.773 1.00 0.00 H new ATOM 0 HG3 PRO A 81 13.692 10.256 -14.641 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.374 8.208 -12.980 1.00 0.00 H new ATOM 0 HD3 PRO A 81 15.421 9.597 -13.198 1.00 0.00 H new ATOM 1132 N SER A 82 11.674 10.597 -9.506 1.00 0.00 N ATOM 1133 CA SER A 82 10.455 10.204 -8.810 1.00 0.00 C ATOM 1134 C SER A 82 9.289 11.106 -9.204 1.00 0.00 C ATOM 1135 O SER A 82 9.442 12.323 -9.315 1.00 0.00 O ATOM 1136 CB SER A 82 10.666 10.258 -7.296 1.00 0.00 C ATOM 1137 OG SER A 82 10.849 11.592 -6.853 1.00 0.00 O ATOM 0 H SER A 82 12.351 11.091 -8.925 1.00 0.00 H new ATOM 0 HA SER A 82 10.215 9.181 -9.100 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.806 9.818 -6.790 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.536 9.659 -7.025 1.00 0.00 H new ATOM 0 HG SER A 82 10.980 11.599 -5.882 1.00 0.00 H new ATOM 1143 N SER A 83 8.125 10.501 -9.415 1.00 0.00 N ATOM 1144 CA SER A 83 6.934 11.248 -9.801 1.00 0.00 C ATOM 1145 C SER A 83 5.999 11.433 -8.609 1.00 0.00 C ATOM 1146 O SER A 83 6.067 10.690 -7.631 1.00 0.00 O ATOM 1147 CB SER A 83 6.199 10.528 -10.933 1.00 0.00 C ATOM 1148 OG SER A 83 5.959 9.170 -10.603 1.00 0.00 O ATOM 0 H SER A 83 7.981 9.495 -9.325 1.00 0.00 H new ATOM 0 HA SER A 83 7.249 12.231 -10.150 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.252 11.030 -11.133 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.789 10.584 -11.848 1.00 0.00 H new ATOM 0 HG SER A 83 5.487 8.732 -11.342 1.00 0.00 H new ATOM 1154 N GLY A 84 5.125 12.431 -8.700 1.00 0.00 N ATOM 1155 CA GLY A 84 4.188 12.697 -7.624 1.00 0.00 C ATOM 1156 C GLY A 84 4.199 14.149 -7.192 1.00 0.00 C ATOM 1157 O GLY A 84 5.111 14.881 -7.574 1.00 0.00 O ATOM 0 H GLY A 84 5.049 13.060 -9.500 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.183 12.425 -7.946 1.00 0.00 H new ATOM 0 HA3 GLY A 84 4.431 12.065 -6.770 1.00 0.00 H new TER 1161 GLY A 84 HETATM 1162 ZN ZN A 201 -4.302 -3.172 -4.616 1.00 0.00 ZN HETATM 1163 ZN ZN A 401 2.553 3.662 -0.040 1.00 0.00 ZN