USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=33 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 35 ASN : amide:sc= 0.509 K(o=0.24,f=-0.41) USER MOD Set 1.2: A 54 MET CE :methyl -156:sc= -0.266 (180deg=-2.01) USER MOD Set 2.1: A 16 ASN :FLIP amide:sc= -2.17 F(o=-3.2!,f=-2.1) USER MOD Set 2.2: A 23 THR OG1 : rot -63:sc= 0.0727 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 -16:sc= 0.591 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 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 37:sc= 0.386 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.652 F(o=-2.6,f=-0.65) USER MOD Single : A 13 ASN : amide:sc= -1.09 K(o=-1.1,f=-5.2!) USER MOD Single : A 18 THR OG1 : rot 89:sc= 0.00893 USER MOD Single : A 21 SER OG : rot -42:sc= 1.07 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -141:sc= -0.0866 (180deg=-0.288) USER MOD Single : A 29 LYS NZ :NH3+ 168:sc=-0.00243 (180deg=-0.109) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -39:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -5.69! C(o=-5.7!,f=-7.6!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.285 USER MOD Single : A 45 CYS SG : rot -49:sc= -0.225 USER MOD Single : A 46 SER OG : rot 123:sc= 1.27 USER MOD Single : A 48 LYS NZ :NH3+ -159:sc= 0.171 (180deg=0.11) USER MOD Single : A 51 LYS NZ :NH3+ 179:sc= -0.738 (180deg=-0.756) USER MOD Single : A 52 SER OG : rot 173:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -120:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 65 THR OG1 : rot -160:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -3.19 K(o=-3.2,f=-5.8!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 78:sc= 0.654 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -8.616 28.064 -34.179 1.00 0.00 N ATOM 2 CA GLY A 1 -9.745 28.002 -33.269 1.00 0.00 C ATOM 3 C GLY A 1 -9.550 26.972 -32.174 1.00 0.00 C ATOM 4 O GLY A 1 -9.875 25.798 -32.351 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.797 28.782 -34.909 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.757 28.317 -33.650 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.483 27.137 -34.631 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.899 28.982 -32.818 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.648 27.764 -33.831 1.00 0.00 H new ATOM 8 N SER A 2 -9.016 27.412 -31.039 1.00 0.00 N ATOM 9 CA SER A 2 -8.772 26.519 -29.912 1.00 0.00 C ATOM 10 C SER A 2 -10.071 25.871 -29.442 1.00 0.00 C ATOM 11 O SER A 2 -11.056 26.557 -29.168 1.00 0.00 O ATOM 12 CB SER A 2 -8.124 27.285 -28.757 1.00 0.00 C ATOM 13 OG SER A 2 -7.778 26.412 -27.696 1.00 0.00 O ATOM 0 H SER A 2 -8.744 28.381 -30.875 1.00 0.00 H new ATOM 0 HA SER A 2 -8.093 25.733 -30.243 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.232 27.800 -29.113 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.810 28.050 -28.394 1.00 0.00 H new ATOM 0 HG SER A 2 -7.364 26.926 -26.971 1.00 0.00 H new ATOM 19 N SER A 3 -10.064 24.545 -29.350 1.00 0.00 N ATOM 20 CA SER A 3 -11.242 23.803 -28.917 1.00 0.00 C ATOM 21 C SER A 3 -10.849 22.438 -28.359 1.00 0.00 C ATOM 22 O SER A 3 -10.081 21.701 -28.976 1.00 0.00 O ATOM 23 CB SER A 3 -12.218 23.628 -30.082 1.00 0.00 C ATOM 24 OG SER A 3 -12.596 24.883 -30.622 1.00 0.00 O ATOM 0 H SER A 3 -9.256 23.963 -29.569 1.00 0.00 H new ATOM 0 HA SER A 3 -11.730 24.373 -28.126 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.757 23.018 -30.859 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.104 23.093 -29.741 1.00 0.00 H new ATOM 0 HG SER A 3 -12.364 25.595 -29.989 1.00 0.00 H new ATOM 30 N GLY A 4 -11.384 22.108 -27.187 1.00 0.00 N ATOM 31 CA GLY A 4 -11.078 20.833 -26.565 1.00 0.00 C ATOM 32 C GLY A 4 -12.320 20.112 -26.081 1.00 0.00 C ATOM 33 O GLY A 4 -13.412 20.680 -26.070 1.00 0.00 O ATOM 0 H GLY A 4 -12.023 22.701 -26.658 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.550 20.201 -27.279 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.404 20.995 -25.724 1.00 0.00 H new ATOM 37 N SER A 5 -12.154 18.856 -25.680 1.00 0.00 N ATOM 38 CA SER A 5 -13.272 18.053 -25.197 1.00 0.00 C ATOM 39 C SER A 5 -13.157 17.808 -23.696 1.00 0.00 C ATOM 40 O SER A 5 -12.086 17.965 -23.110 1.00 0.00 O ATOM 41 CB SER A 5 -13.327 16.718 -25.941 1.00 0.00 C ATOM 42 OG SER A 5 -14.018 16.847 -27.172 1.00 0.00 O ATOM 0 H SER A 5 -11.256 18.372 -25.680 1.00 0.00 H new ATOM 0 HA SER A 5 -14.193 18.605 -25.387 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.314 16.359 -26.125 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.822 15.972 -25.319 1.00 0.00 H new ATOM 0 HG SER A 5 -14.038 15.980 -27.629 1.00 0.00 H new ATOM 48 N SER A 6 -14.269 17.423 -23.079 1.00 0.00 N ATOM 49 CA SER A 6 -14.296 17.159 -21.645 1.00 0.00 C ATOM 50 C SER A 6 -13.924 15.709 -21.352 1.00 0.00 C ATOM 51 O SER A 6 -13.808 14.890 -22.263 1.00 0.00 O ATOM 52 CB SER A 6 -15.681 17.468 -21.073 1.00 0.00 C ATOM 53 OG SER A 6 -15.989 18.845 -21.198 1.00 0.00 O ATOM 0 H SER A 6 -15.164 17.287 -23.550 1.00 0.00 H new ATOM 0 HA SER A 6 -13.561 17.808 -21.168 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.433 16.875 -21.593 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.717 17.178 -20.023 1.00 0.00 H new ATOM 0 HG SER A 6 -16.880 19.016 -20.827 1.00 0.00 H new ATOM 59 N GLY A 7 -13.738 15.398 -20.072 1.00 0.00 N ATOM 60 CA GLY A 7 -13.382 14.047 -19.681 1.00 0.00 C ATOM 61 C GLY A 7 -13.318 13.877 -18.176 1.00 0.00 C ATOM 62 O GLY A 7 -12.756 14.717 -17.473 1.00 0.00 O ATOM 0 H GLY A 7 -13.828 16.058 -19.300 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.112 13.349 -20.092 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.415 13.789 -20.114 1.00 0.00 H new ATOM 66 N ARG A 8 -13.898 12.789 -17.680 1.00 0.00 N ATOM 67 CA ARG A 8 -13.907 12.514 -16.248 1.00 0.00 C ATOM 68 C ARG A 8 -14.084 11.021 -15.983 1.00 0.00 C ATOM 69 O ARG A 8 -14.363 10.247 -16.898 1.00 0.00 O ATOM 70 CB ARG A 8 -15.026 13.301 -15.563 1.00 0.00 C ATOM 71 CG ARG A 8 -14.725 14.783 -15.416 1.00 0.00 C ATOM 72 CD ARG A 8 -15.441 15.380 -14.214 1.00 0.00 C ATOM 73 NE ARG A 8 -15.004 14.774 -12.960 1.00 0.00 N ATOM 74 CZ ARG A 8 -15.476 15.126 -11.769 1.00 0.00 C ATOM 75 NH1 ARG A 8 -16.398 16.075 -11.672 1.00 0.00 N ATOM 76 NH2 ARG A 8 -15.028 14.528 -10.673 1.00 0.00 N ATOM 0 H ARG A 8 -14.368 12.084 -18.248 1.00 0.00 H new ATOM 0 HA ARG A 8 -12.948 12.828 -15.837 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -15.946 13.181 -16.135 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -15.206 12.876 -14.576 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -13.650 14.928 -15.310 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -15.030 15.309 -16.321 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -15.259 16.454 -14.180 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -16.516 15.243 -14.328 1.00 0.00 H new ATOM 0 HE ARG A 8 -14.297 14.040 -13.000 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.746 16.536 -12.513 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -16.759 16.344 -10.757 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -14.320 13.797 -10.744 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.391 14.799 -9.759 1.00 0.00 H new ATOM 90 N TYR A 9 -13.921 10.626 -14.725 1.00 0.00 N ATOM 91 CA TYR A 9 -14.059 9.227 -14.340 1.00 0.00 C ATOM 92 C TYR A 9 -15.140 9.059 -13.276 1.00 0.00 C ATOM 93 O TYR A 9 -15.265 9.861 -12.349 1.00 0.00 O ATOM 94 CB TYR A 9 -12.727 8.685 -13.820 1.00 0.00 C ATOM 95 CG TYR A 9 -12.301 9.290 -12.501 1.00 0.00 C ATOM 96 CD1 TYR A 9 -11.907 10.620 -12.420 1.00 0.00 C ATOM 97 CD2 TYR A 9 -12.290 8.532 -11.337 1.00 0.00 C ATOM 98 CE1 TYR A 9 -11.515 11.177 -11.218 1.00 0.00 C ATOM 99 CE2 TYR A 9 -11.902 9.081 -10.130 1.00 0.00 C ATOM 100 CZ TYR A 9 -11.515 10.404 -10.076 1.00 0.00 C ATOM 101 OH TYR A 9 -11.126 10.954 -8.876 1.00 0.00 O ATOM 0 H TYR A 9 -13.693 11.255 -13.955 1.00 0.00 H new ATOM 0 HA TYR A 9 -14.353 8.661 -15.224 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -12.804 7.604 -13.706 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -11.953 8.873 -14.564 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -11.907 11.229 -13.312 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -12.590 7.495 -11.376 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -11.210 12.212 -11.173 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -11.902 8.478 -9.234 1.00 0.00 H new ATOM 0 HH TYR A 9 -11.185 10.276 -8.171 1.00 0.00 H new ATOM 111 N PRO A 10 -15.940 7.992 -13.410 1.00 0.00 N ATOM 112 CA PRO A 10 -17.024 7.692 -12.469 1.00 0.00 C ATOM 113 C PRO A 10 -16.503 7.252 -11.105 1.00 0.00 C ATOM 114 O PRO A 10 -15.477 6.578 -11.008 1.00 0.00 O ATOM 115 CB PRO A 10 -17.776 6.545 -13.149 1.00 0.00 C ATOM 116 CG PRO A 10 -16.763 5.894 -14.026 1.00 0.00 C ATOM 117 CD PRO A 10 -15.849 6.995 -14.489 1.00 0.00 C ATOM 0 HA PRO A 10 -17.643 8.567 -12.268 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -18.174 5.843 -12.416 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -18.622 6.915 -13.728 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -16.209 5.130 -13.482 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -17.239 5.400 -14.873 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.827 6.639 -14.622 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -16.170 7.408 -15.445 1.00 0.00 H new ATOM 125 N THR A 11 -17.216 7.638 -10.051 1.00 0.00 N ATOM 126 CA THR A 11 -16.825 7.285 -8.693 1.00 0.00 C ATOM 127 C THR A 11 -18.043 7.151 -7.787 1.00 0.00 C ATOM 128 O THR A 11 -18.815 8.095 -7.625 1.00 0.00 O ATOM 129 CB THR A 11 -15.867 8.332 -8.093 1.00 0.00 C ATOM 130 OG1 THR A 11 -16.489 9.622 -8.094 1.00 0.00 O ATOM 131 CG2 THR A 11 -14.567 8.390 -8.882 1.00 0.00 C ATOM 0 H THR A 11 -18.068 8.196 -10.113 1.00 0.00 H new ATOM 0 HA THR A 11 -16.312 6.325 -8.752 1.00 0.00 H new ATOM 0 HB THR A 11 -15.639 8.039 -7.068 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.443 9.525 -7.894 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.906 9.136 -8.440 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.082 7.414 -8.856 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.781 8.661 -9.916 1.00 0.00 H new ATOM 139 N ASN A 12 -18.210 5.971 -7.198 1.00 0.00 N ATOM 140 CA ASN A 12 -19.336 5.714 -6.308 1.00 0.00 C ATOM 141 C ASN A 12 -18.910 5.821 -4.847 1.00 0.00 C ATOM 142 O ASN A 12 -19.547 6.511 -4.053 1.00 0.00 O ATOM 143 CB ASN A 12 -19.922 4.327 -6.580 1.00 0.00 C ATOM 144 CG ASN A 12 -20.811 3.843 -5.450 1.00 0.00 C ATOM 145 OD1 ASN A 12 -20.201 3.266 -4.422 1.00 0.00 O flip ATOM 146 ND2 ASN A 12 -22.033 3.987 -5.502 1.00 0.00 N flip ATOM 0 H ASN A 12 -17.580 5.178 -7.321 1.00 0.00 H new ATOM 0 HA ASN A 12 -20.099 6.468 -6.502 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -20.497 4.354 -7.505 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -19.110 3.616 -6.730 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -22.460 4.437 -6.312 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -22.619 3.657 -4.735 1.00 0.00 H new ATOM 153 N ASN A 13 -17.827 5.132 -4.500 1.00 0.00 N ATOM 154 CA ASN A 13 -17.315 5.149 -3.135 1.00 0.00 C ATOM 155 C ASN A 13 -15.791 5.216 -3.126 1.00 0.00 C ATOM 156 O ASN A 13 -15.143 4.984 -4.147 1.00 0.00 O ATOM 157 CB ASN A 13 -17.787 3.908 -2.375 1.00 0.00 C ATOM 158 CG ASN A 13 -17.585 4.035 -0.877 1.00 0.00 C ATOM 159 OD1 ASN A 13 -16.562 3.611 -0.340 1.00 0.00 O ATOM 160 ND2 ASN A 13 -18.562 4.621 -0.196 1.00 0.00 N ATOM 0 H ASN A 13 -17.288 4.555 -5.146 1.00 0.00 H new ATOM 0 HA ASN A 13 -17.703 6.039 -2.640 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -18.843 3.738 -2.583 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -17.246 3.035 -2.739 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -18.482 4.735 0.814 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -19.393 4.958 -0.683 1.00 0.00 H new ATOM 167 N PHE A 14 -15.224 5.532 -1.966 1.00 0.00 N ATOM 168 CA PHE A 14 -13.776 5.629 -1.824 1.00 0.00 C ATOM 169 C PHE A 14 -13.265 4.641 -0.780 1.00 0.00 C ATOM 170 O PHE A 14 -12.375 4.959 0.008 1.00 0.00 O ATOM 171 CB PHE A 14 -13.375 7.053 -1.434 1.00 0.00 C ATOM 172 CG PHE A 14 -14.139 8.115 -2.173 1.00 0.00 C ATOM 173 CD1 PHE A 14 -14.168 8.130 -3.558 1.00 0.00 C ATOM 174 CD2 PHE A 14 -14.830 9.097 -1.482 1.00 0.00 C ATOM 175 CE1 PHE A 14 -14.870 9.106 -4.240 1.00 0.00 C ATOM 176 CE2 PHE A 14 -15.534 10.075 -2.158 1.00 0.00 C ATOM 177 CZ PHE A 14 -15.555 10.079 -3.539 1.00 0.00 C ATOM 0 H PHE A 14 -15.745 5.725 -1.111 1.00 0.00 H new ATOM 0 HA PHE A 14 -13.324 5.382 -2.785 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -13.529 7.185 -0.363 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -12.310 7.186 -1.622 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -13.636 7.370 -4.111 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -14.818 9.098 -0.402 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -14.883 9.108 -5.320 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -16.067 10.836 -1.607 1.00 0.00 H new ATOM 0 HZ PHE A 14 -16.106 10.841 -4.070 1.00 0.00 H new ATOM 187 N GLY A 15 -13.836 3.440 -0.781 1.00 0.00 N ATOM 188 CA GLY A 15 -13.426 2.423 0.171 1.00 0.00 C ATOM 189 C GLY A 15 -12.742 1.247 -0.496 1.00 0.00 C ATOM 190 O GLY A 15 -13.125 0.097 -0.286 1.00 0.00 O ATOM 0 H GLY A 15 -14.575 3.153 -1.423 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.750 2.866 0.902 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.300 2.069 0.718 1.00 0.00 H new ATOM 194 N ASN A 16 -11.728 1.535 -1.305 1.00 0.00 N ATOM 195 CA ASN A 16 -10.990 0.492 -2.008 1.00 0.00 C ATOM 196 C ASN A 16 -9.501 0.819 -2.059 1.00 0.00 C ATOM 197 O ASN A 16 -9.088 1.936 -1.747 1.00 0.00 O ATOM 198 CB ASN A 16 -11.535 0.320 -3.427 1.00 0.00 C ATOM 199 CG ASN A 16 -13.025 0.588 -3.511 1.00 0.00 C ATOM 200 OD1 ASN A 16 -13.793 -0.068 -2.649 1.00 0.00 O flip ATOM 201 ND2 ASN A 16 -13.480 1.376 -4.340 1.00 0.00 N flip ATOM 0 H ASN A 16 -11.398 2.482 -1.490 1.00 0.00 H new ATOM 0 HA ASN A 16 -11.120 -0.442 -1.461 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.008 0.997 -4.100 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.331 -0.694 -3.771 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.852 1.858 -4.983 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -14.485 1.547 -4.384 1.00 0.00 H new ATOM 208 N CYS A 17 -8.698 -0.163 -2.456 1.00 0.00 N ATOM 209 CA CYS A 17 -7.255 0.018 -2.548 1.00 0.00 C ATOM 210 C CYS A 17 -6.915 1.295 -3.313 1.00 0.00 C ATOM 211 O CYS A 17 -7.746 1.834 -4.044 1.00 0.00 O ATOM 212 CB CYS A 17 -6.611 -1.187 -3.236 1.00 0.00 C ATOM 213 SG CYS A 17 -4.791 -1.125 -3.297 1.00 0.00 S ATOM 0 H CYS A 17 -9.023 -1.093 -2.719 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.860 0.104 -1.536 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.916 -2.095 -2.715 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.996 -1.259 -4.253 1.00 0.00 H new ATOM 218 N THR A 18 -5.687 1.774 -3.138 1.00 0.00 N ATOM 219 CA THR A 18 -5.237 2.987 -3.809 1.00 0.00 C ATOM 220 C THR A 18 -4.363 2.657 -5.013 1.00 0.00 C ATOM 221 O THR A 18 -3.691 3.528 -5.563 1.00 0.00 O ATOM 222 CB THR A 18 -4.449 3.899 -2.851 1.00 0.00 C ATOM 223 OG1 THR A 18 -5.250 4.220 -1.709 1.00 0.00 O ATOM 224 CG2 THR A 18 -4.021 5.180 -3.553 1.00 0.00 C ATOM 0 H THR A 18 -4.986 1.340 -2.537 1.00 0.00 H new ATOM 0 HA THR A 18 -6.131 3.512 -4.146 1.00 0.00 H new ATOM 0 HB THR A 18 -3.556 3.364 -2.528 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.121 3.538 -1.017 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.466 5.809 -2.857 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.387 4.934 -4.404 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.904 5.716 -3.901 1.00 0.00 H new ATOM 232 N GLY A 19 -4.377 1.391 -5.420 1.00 0.00 N ATOM 233 CA GLY A 19 -3.581 0.968 -6.558 1.00 0.00 C ATOM 234 C GLY A 19 -4.391 0.185 -7.572 1.00 0.00 C ATOM 235 O GLY A 19 -4.339 0.467 -8.770 1.00 0.00 O ATOM 0 H GLY A 19 -4.925 0.651 -4.982 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.149 1.844 -7.041 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.751 0.354 -6.209 1.00 0.00 H new ATOM 239 N CYS A 20 -5.139 -0.804 -7.094 1.00 0.00 N ATOM 240 CA CYS A 20 -5.961 -1.632 -7.967 1.00 0.00 C ATOM 241 C CYS A 20 -7.442 -1.473 -7.633 1.00 0.00 C ATOM 242 O CYS A 20 -8.279 -2.250 -8.090 1.00 0.00 O ATOM 243 CB CYS A 20 -5.554 -3.102 -7.842 1.00 0.00 C ATOM 244 SG CYS A 20 -5.705 -3.774 -6.155 1.00 0.00 S ATOM 0 H CYS A 20 -5.192 -1.051 -6.106 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.801 -1.303 -8.994 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -6.171 -3.697 -8.515 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.522 -3.212 -8.174 1.00 0.00 H new ATOM 249 N SER A 21 -7.756 -0.460 -6.832 1.00 0.00 N ATOM 250 CA SER A 21 -9.134 -0.199 -6.433 1.00 0.00 C ATOM 251 C SER A 21 -9.837 -1.493 -6.033 1.00 0.00 C ATOM 252 O SER A 21 -11.049 -1.630 -6.198 1.00 0.00 O ATOM 253 CB SER A 21 -9.898 0.479 -7.572 1.00 0.00 C ATOM 254 OG SER A 21 -11.228 0.779 -7.186 1.00 0.00 O ATOM 0 H SER A 21 -7.075 0.194 -6.446 1.00 0.00 H new ATOM 0 HA SER A 21 -9.117 0.467 -5.570 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.385 1.396 -7.863 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.908 -0.172 -8.446 1.00 0.00 H new ATOM 0 HG SER A 21 -11.603 0.022 -6.690 1.00 0.00 H new ATOM 260 N ALA A 22 -9.067 -2.440 -5.507 1.00 0.00 N ATOM 261 CA ALA A 22 -9.615 -3.722 -5.082 1.00 0.00 C ATOM 262 C ALA A 22 -10.343 -3.593 -3.748 1.00 0.00 C ATOM 263 O ALA A 22 -9.716 -3.541 -2.689 1.00 0.00 O ATOM 264 CB ALA A 22 -8.509 -4.762 -4.984 1.00 0.00 C ATOM 0 H ALA A 22 -8.062 -2.343 -5.365 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.338 -4.046 -5.830 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.932 -5.715 -4.666 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.036 -4.883 -5.958 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.765 -4.435 -4.258 1.00 0.00 H new ATOM 270 N THR A 23 -11.670 -3.540 -3.806 1.00 0.00 N ATOM 271 CA THR A 23 -12.483 -3.415 -2.603 1.00 0.00 C ATOM 272 C THR A 23 -12.022 -4.389 -1.525 1.00 0.00 C ATOM 273 O THR A 23 -11.514 -5.469 -1.825 1.00 0.00 O ATOM 274 CB THR A 23 -13.973 -3.666 -2.903 1.00 0.00 C ATOM 275 OG1 THR A 23 -14.383 -2.886 -4.032 1.00 0.00 O ATOM 276 CG2 THR A 23 -14.834 -3.317 -1.699 1.00 0.00 C ATOM 0 H THR A 23 -12.205 -3.582 -4.674 1.00 0.00 H new ATOM 0 HA THR A 23 -12.360 -2.394 -2.243 1.00 0.00 H new ATOM 0 HB THR A 23 -14.103 -4.725 -3.127 1.00 0.00 H new ATOM 0 HG1 THR A 23 -14.299 -1.933 -3.819 1.00 0.00 H new ATOM 0 HG21 THR A 23 -15.882 -3.502 -1.935 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.539 -3.933 -0.850 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.699 -2.265 -1.448 1.00 0.00 H new ATOM 284 N PHE A 24 -12.204 -4.001 -0.267 1.00 0.00 N ATOM 285 CA PHE A 24 -11.806 -4.840 0.858 1.00 0.00 C ATOM 286 C PHE A 24 -13.016 -5.547 1.463 1.00 0.00 C ATOM 287 O PHE A 24 -13.686 -5.009 2.343 1.00 0.00 O ATOM 288 CB PHE A 24 -11.105 -3.999 1.927 1.00 0.00 C ATOM 289 CG PHE A 24 -9.946 -3.204 1.398 1.00 0.00 C ATOM 290 CD1 PHE A 24 -8.669 -3.742 1.385 1.00 0.00 C ATOM 291 CD2 PHE A 24 -10.133 -1.919 0.916 1.00 0.00 C ATOM 292 CE1 PHE A 24 -7.600 -3.013 0.899 1.00 0.00 C ATOM 293 CE2 PHE A 24 -9.067 -1.185 0.429 1.00 0.00 C ATOM 294 CZ PHE A 24 -7.799 -1.732 0.422 1.00 0.00 C ATOM 0 H PHE A 24 -12.625 -3.111 -0.001 1.00 0.00 H new ATOM 0 HA PHE A 24 -11.113 -5.595 0.488 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -11.829 -3.318 2.375 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.752 -4.656 2.722 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.507 -4.742 1.759 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -11.122 -1.486 0.921 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.610 -3.445 0.892 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -9.226 -0.185 0.054 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.965 -1.159 0.044 1.00 0.00 H new ATOM 304 N SER A 25 -13.288 -6.756 0.983 1.00 0.00 N ATOM 305 CA SER A 25 -14.419 -7.536 1.473 1.00 0.00 C ATOM 306 C SER A 25 -14.096 -8.174 2.820 1.00 0.00 C ATOM 307 O SER A 25 -12.930 -8.366 3.166 1.00 0.00 O ATOM 308 CB SER A 25 -14.795 -8.619 0.460 1.00 0.00 C ATOM 309 OG SER A 25 -15.712 -8.124 -0.500 1.00 0.00 O ATOM 0 H SER A 25 -12.741 -7.217 0.256 1.00 0.00 H new ATOM 0 HA SER A 25 -15.265 -6.861 1.604 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.897 -8.979 -0.042 1.00 0.00 H new ATOM 0 HB3 SER A 25 -15.233 -9.471 0.980 1.00 0.00 H new ATOM 0 HG SER A 25 -15.935 -8.835 -1.137 1.00 0.00 H new ATOM 315 N VAL A 26 -15.138 -8.501 3.578 1.00 0.00 N ATOM 316 CA VAL A 26 -14.967 -9.118 4.888 1.00 0.00 C ATOM 317 C VAL A 26 -13.752 -10.039 4.907 1.00 0.00 C ATOM 318 O VAL A 26 -12.991 -10.061 5.875 1.00 0.00 O ATOM 319 CB VAL A 26 -16.214 -9.924 5.296 1.00 0.00 C ATOM 320 CG1 VAL A 26 -16.531 -10.983 4.252 1.00 0.00 C ATOM 321 CG2 VAL A 26 -16.016 -10.556 6.665 1.00 0.00 C ATOM 0 H VAL A 26 -16.110 -8.349 3.307 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.817 -8.308 5.602 1.00 0.00 H new ATOM 0 HB VAL A 26 -17.062 -9.242 5.356 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -17.415 -11.542 4.558 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -16.720 -10.503 3.292 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.686 -11.665 4.157 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -16.907 -11.122 6.937 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -15.156 -11.225 6.636 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.842 -9.775 7.405 1.00 0.00 H new ATOM 331 N LEU A 27 -13.575 -10.798 3.831 1.00 0.00 N ATOM 332 CA LEU A 27 -12.451 -11.722 3.723 1.00 0.00 C ATOM 333 C LEU A 27 -11.129 -10.965 3.647 1.00 0.00 C ATOM 334 O LEU A 27 -10.226 -11.188 4.454 1.00 0.00 O ATOM 335 CB LEU A 27 -12.614 -12.612 2.490 1.00 0.00 C ATOM 336 CG LEU A 27 -12.035 -14.023 2.599 1.00 0.00 C ATOM 337 CD1 LEU A 27 -12.351 -14.828 1.348 1.00 0.00 C ATOM 338 CD2 LEU A 27 -10.533 -13.967 2.834 1.00 0.00 C ATOM 0 H LEU A 27 -14.195 -10.792 3.021 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.439 -12.347 4.616 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.677 -12.694 2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.145 -12.113 1.642 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.498 -14.519 3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.931 -15.829 1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.432 -14.898 1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.917 -14.334 0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.138 -14.980 2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.054 -13.452 2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.329 -13.429 3.760 1.00 0.00 H new ATOM 350 N LYS A 28 -11.023 -10.067 2.674 1.00 0.00 N ATOM 351 CA LYS A 28 -9.813 -9.273 2.493 1.00 0.00 C ATOM 352 C LYS A 28 -9.678 -8.229 3.596 1.00 0.00 C ATOM 353 O LYS A 28 -10.623 -7.497 3.892 1.00 0.00 O ATOM 354 CB LYS A 28 -9.829 -8.587 1.125 1.00 0.00 C ATOM 355 CG LYS A 28 -8.445 -8.376 0.535 1.00 0.00 C ATOM 356 CD LYS A 28 -8.484 -8.349 -0.983 1.00 0.00 C ATOM 357 CE LYS A 28 -7.232 -7.708 -1.562 1.00 0.00 C ATOM 358 NZ LYS A 28 -7.244 -7.714 -3.051 1.00 0.00 N ATOM 0 H LYS A 28 -11.761 -9.870 1.998 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.956 -9.944 2.546 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.422 -9.186 0.434 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.327 -7.622 1.218 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.029 -7.439 0.906 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.781 -9.173 0.869 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.583 -9.366 -1.364 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.363 -7.797 -1.316 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.150 -6.682 -1.204 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.352 -8.242 -1.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.288 -7.917 -3.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.901 -8.445 -3.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.551 -6.784 -3.399 1.00 0.00 H new ATOM 372 N LYS A 29 -8.497 -8.163 4.202 1.00 0.00 N ATOM 373 CA LYS A 29 -8.237 -7.207 5.271 1.00 0.00 C ATOM 374 C LYS A 29 -7.467 -5.999 4.744 1.00 0.00 C ATOM 375 O LYS A 29 -6.351 -6.133 4.243 1.00 0.00 O ATOM 376 CB LYS A 29 -7.449 -7.874 6.400 1.00 0.00 C ATOM 377 CG LYS A 29 -8.257 -8.892 7.186 1.00 0.00 C ATOM 378 CD LYS A 29 -9.483 -8.260 7.822 1.00 0.00 C ATOM 379 CE LYS A 29 -10.079 -9.156 8.896 1.00 0.00 C ATOM 380 NZ LYS A 29 -9.241 -9.180 10.127 1.00 0.00 N ATOM 0 H LYS A 29 -7.704 -8.761 3.970 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.196 -6.864 5.659 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.572 -8.366 5.979 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.086 -7.105 7.082 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.566 -9.702 6.525 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.631 -9.334 7.961 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.213 -7.298 8.258 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.232 -8.063 7.055 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.081 -8.806 9.146 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.182 -10.169 8.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.772 -9.630 10.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.371 -9.720 9.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.994 -8.207 10.398 1.00 0.00 H new ATOM 394 N ARG A 30 -8.071 -4.821 4.863 1.00 0.00 N ATOM 395 CA ARG A 30 -7.442 -3.590 4.399 1.00 0.00 C ATOM 396 C ARG A 30 -6.087 -3.386 5.071 1.00 0.00 C ATOM 397 O ARG A 30 -6.004 -3.242 6.291 1.00 0.00 O ATOM 398 CB ARG A 30 -8.349 -2.391 4.681 1.00 0.00 C ATOM 399 CG ARG A 30 -8.137 -1.229 3.724 1.00 0.00 C ATOM 400 CD ARG A 30 -9.418 -0.436 3.518 1.00 0.00 C ATOM 401 NE ARG A 30 -9.550 0.652 4.484 1.00 0.00 N ATOM 402 CZ ARG A 30 -10.715 1.069 4.966 1.00 0.00 C ATOM 403 NH1 ARG A 30 -11.843 0.493 4.575 1.00 0.00 N ATOM 404 NH2 ARG A 30 -10.753 2.065 5.842 1.00 0.00 N ATOM 0 H ARG A 30 -8.995 -4.693 5.277 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.286 -3.674 3.323 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.389 -2.712 4.625 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.176 -2.047 5.701 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.360 -0.572 4.114 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.783 -1.606 2.765 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.433 -0.027 2.508 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.275 -1.103 3.604 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.701 1.117 4.806 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.818 -0.273 3.902 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.736 0.816 4.947 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.887 2.511 6.145 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.648 2.385 6.212 1.00 0.00 H new ATOM 418 N ARG A 31 -5.029 -3.374 4.267 1.00 0.00 N ATOM 419 CA ARG A 31 -3.679 -3.189 4.784 1.00 0.00 C ATOM 420 C ARG A 31 -3.289 -1.713 4.772 1.00 0.00 C ATOM 421 O ARG A 31 -3.888 -0.909 4.058 1.00 0.00 O ATOM 422 CB ARG A 31 -2.678 -3.998 3.957 1.00 0.00 C ATOM 423 CG ARG A 31 -2.602 -5.463 4.356 1.00 0.00 C ATOM 424 CD ARG A 31 -2.107 -6.328 3.207 1.00 0.00 C ATOM 425 NE ARG A 31 -0.653 -6.467 3.215 1.00 0.00 N ATOM 426 CZ ARG A 31 -0.004 -7.361 3.952 1.00 0.00 C ATOM 427 NH1 ARG A 31 -0.676 -8.192 4.736 1.00 0.00 N ATOM 428 NH2 ARG A 31 1.321 -7.427 3.905 1.00 0.00 N ATOM 0 H ARG A 31 -5.081 -3.490 3.255 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.660 -3.544 5.814 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.951 -3.931 2.904 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.689 -3.550 4.059 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.935 -5.574 5.211 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.587 -5.806 4.674 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.566 -7.315 3.272 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.424 -5.890 2.261 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.106 -5.843 2.622 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.694 -8.146 4.774 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.175 -8.878 5.301 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.842 -6.790 3.302 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.818 -8.114 4.472 1.00 0.00 H new ATOM 442 N SER A 32 -2.283 -1.365 5.568 1.00 0.00 N ATOM 443 CA SER A 32 -1.817 0.014 5.652 1.00 0.00 C ATOM 444 C SER A 32 -0.346 0.114 5.260 1.00 0.00 C ATOM 445 O SER A 32 0.480 -0.692 5.690 1.00 0.00 O ATOM 446 CB SER A 32 -2.017 0.556 7.068 1.00 0.00 C ATOM 447 OG SER A 32 -3.393 0.734 7.356 1.00 0.00 O ATOM 0 H SER A 32 -1.775 -2.019 6.164 1.00 0.00 H new ATOM 0 HA SER A 32 -2.403 0.613 4.955 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.577 -0.132 7.790 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.494 1.506 7.174 1.00 0.00 H new ATOM 0 HG SER A 32 -3.494 1.080 8.267 1.00 0.00 H new ATOM 453 N CYS A 33 -0.025 1.110 4.440 1.00 0.00 N ATOM 454 CA CYS A 33 1.345 1.318 3.988 1.00 0.00 C ATOM 455 C CYS A 33 2.222 1.831 5.127 1.00 0.00 C ATOM 456 O CYS A 33 1.719 2.280 6.158 1.00 0.00 O ATOM 457 CB CYS A 33 1.375 2.308 2.822 1.00 0.00 C ATOM 458 SG CYS A 33 2.995 2.438 1.998 1.00 0.00 S ATOM 0 H CYS A 33 -0.696 1.786 4.075 1.00 0.00 H new ATOM 0 HA CYS A 33 1.739 0.359 3.652 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.628 2.009 2.086 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.086 3.293 3.188 1.00 0.00 H new ATOM 463 N SER A 34 3.535 1.761 4.934 1.00 0.00 N ATOM 464 CA SER A 34 4.482 2.215 5.946 1.00 0.00 C ATOM 465 C SER A 34 5.093 3.557 5.554 1.00 0.00 C ATOM 466 O SER A 34 5.460 4.358 6.413 1.00 0.00 O ATOM 467 CB SER A 34 5.588 1.176 6.142 1.00 0.00 C ATOM 468 OG SER A 34 6.086 1.206 7.468 1.00 0.00 O ATOM 0 H SER A 34 3.967 1.394 4.086 1.00 0.00 H new ATOM 0 HA SER A 34 3.942 2.341 6.884 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.201 0.182 5.918 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.400 1.368 5.441 1.00 0.00 H new ATOM 0 HG SER A 34 6.137 2.135 7.777 1.00 0.00 H new ATOM 474 N ASN A 35 5.199 3.795 4.251 1.00 0.00 N ATOM 475 CA ASN A 35 5.766 5.039 3.745 1.00 0.00 C ATOM 476 C ASN A 35 4.696 6.121 3.638 1.00 0.00 C ATOM 477 O ASN A 35 4.644 7.041 4.456 1.00 0.00 O ATOM 478 CB ASN A 35 6.413 4.810 2.377 1.00 0.00 C ATOM 479 CG ASN A 35 6.938 6.093 1.763 1.00 0.00 C ATOM 480 OD1 ASN A 35 7.667 6.849 2.406 1.00 0.00 O ATOM 481 ND2 ASN A 35 6.568 6.345 0.513 1.00 0.00 N ATOM 0 H ASN A 35 4.900 3.143 3.526 1.00 0.00 H new ATOM 0 HA ASN A 35 6.528 5.374 4.449 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.232 4.098 2.480 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.683 4.360 1.704 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.889 7.194 0.047 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.963 5.690 0.018 1.00 0.00 H new ATOM 488 N CYS A 36 3.843 6.005 2.626 1.00 0.00 N ATOM 489 CA CYS A 36 2.774 6.972 2.411 1.00 0.00 C ATOM 490 C CYS A 36 1.750 6.911 3.542 1.00 0.00 C ATOM 491 O CYS A 36 1.215 7.934 3.964 1.00 0.00 O ATOM 492 CB CYS A 36 2.085 6.712 1.070 1.00 0.00 C ATOM 493 SG CYS A 36 1.045 5.217 1.045 1.00 0.00 S ATOM 0 H CYS A 36 3.872 5.250 1.941 1.00 0.00 H new ATOM 0 HA CYS A 36 3.216 7.968 2.398 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.468 7.575 0.817 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.845 6.625 0.294 1.00 0.00 H new ATOM 498 N GLY A 37 1.484 5.702 4.027 1.00 0.00 N ATOM 499 CA GLY A 37 0.527 5.529 5.104 1.00 0.00 C ATOM 500 C GLY A 37 -0.904 5.487 4.605 1.00 0.00 C ATOM 501 O GLY A 37 -1.809 6.010 5.254 1.00 0.00 O ATOM 0 H GLY A 37 1.914 4.839 3.693 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.749 4.606 5.639 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.636 6.345 5.818 1.00 0.00 H new ATOM 505 N ASN A 38 -1.109 4.866 3.449 1.00 0.00 N ATOM 506 CA ASN A 38 -2.440 4.761 2.863 1.00 0.00 C ATOM 507 C ASN A 38 -2.922 3.313 2.863 1.00 0.00 C ATOM 508 O ASN A 38 -2.169 2.397 3.195 1.00 0.00 O ATOM 509 CB ASN A 38 -2.436 5.309 1.434 1.00 0.00 C ATOM 510 CG ASN A 38 -1.575 6.549 1.293 1.00 0.00 C ATOM 511 OD1 ASN A 38 -1.315 7.252 2.270 1.00 0.00 O ATOM 512 ND2 ASN A 38 -1.128 6.823 0.073 1.00 0.00 N ATOM 0 H ASN A 38 -0.370 4.428 2.899 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.125 5.353 3.470 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.073 4.539 0.753 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.458 5.543 1.135 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.544 7.644 -0.084 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -1.369 6.212 -0.708 1.00 0.00 H new ATOM 519 N SER A 39 -4.181 3.114 2.487 1.00 0.00 N ATOM 520 CA SER A 39 -4.765 1.778 2.446 1.00 0.00 C ATOM 521 C SER A 39 -4.383 1.058 1.156 1.00 0.00 C ATOM 522 O SER A 39 -4.228 1.681 0.106 1.00 0.00 O ATOM 523 CB SER A 39 -6.288 1.860 2.566 1.00 0.00 C ATOM 524 OG SER A 39 -6.670 2.612 3.705 1.00 0.00 O ATOM 0 H SER A 39 -4.817 3.861 2.206 1.00 0.00 H new ATOM 0 HA SER A 39 -4.372 1.210 3.289 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.703 2.318 1.668 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.705 0.855 2.633 1.00 0.00 H new ATOM 0 HG SER A 39 -7.648 2.651 3.758 1.00 0.00 H new ATOM 530 N PHE A 40 -4.233 -0.260 1.244 1.00 0.00 N ATOM 531 CA PHE A 40 -3.868 -1.067 0.085 1.00 0.00 C ATOM 532 C PHE A 40 -4.259 -2.527 0.295 1.00 0.00 C ATOM 533 O PHE A 40 -4.508 -2.959 1.420 1.00 0.00 O ATOM 534 CB PHE A 40 -2.365 -0.963 -0.182 1.00 0.00 C ATOM 535 CG PHE A 40 -1.940 0.382 -0.697 1.00 0.00 C ATOM 536 CD1 PHE A 40 -2.088 0.705 -2.037 1.00 0.00 C ATOM 537 CD2 PHE A 40 -1.391 1.324 0.158 1.00 0.00 C ATOM 538 CE1 PHE A 40 -1.697 1.942 -2.514 1.00 0.00 C ATOM 539 CE2 PHE A 40 -0.999 2.563 -0.313 1.00 0.00 C ATOM 540 CZ PHE A 40 -1.152 2.872 -1.651 1.00 0.00 C ATOM 0 H PHE A 40 -4.359 -0.792 2.105 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.411 -0.684 -0.779 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.825 -1.178 0.740 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.079 -1.727 -0.905 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.514 -0.019 -2.716 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.268 1.087 1.205 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.818 2.181 -3.560 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.574 3.289 0.364 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.846 3.839 -2.021 1.00 0.00 H new ATOM 550 N CYS A 41 -4.311 -3.281 -0.798 1.00 0.00 N ATOM 551 CA CYS A 41 -4.673 -4.692 -0.737 1.00 0.00 C ATOM 552 C CYS A 41 -3.484 -5.540 -0.293 1.00 0.00 C ATOM 553 O CYS A 41 -2.421 -5.013 0.037 1.00 0.00 O ATOM 554 CB CYS A 41 -5.174 -5.171 -2.100 1.00 0.00 C ATOM 555 SG CYS A 41 -3.980 -4.938 -3.456 1.00 0.00 S ATOM 0 H CYS A 41 -4.107 -2.938 -1.737 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.472 -4.805 -0.004 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.427 -6.229 -2.031 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.093 -4.639 -2.345 1.00 0.00 H new ATOM 560 N SER A 42 -3.671 -6.856 -0.289 1.00 0.00 N ATOM 561 CA SER A 42 -2.615 -7.776 0.117 1.00 0.00 C ATOM 562 C SER A 42 -1.664 -8.058 -1.042 1.00 0.00 C ATOM 563 O SER A 42 -0.698 -8.806 -0.899 1.00 0.00 O ATOM 564 CB SER A 42 -3.220 -9.087 0.625 1.00 0.00 C ATOM 565 OG SER A 42 -3.715 -8.942 1.945 1.00 0.00 O ATOM 0 H SER A 42 -4.543 -7.309 -0.562 1.00 0.00 H new ATOM 0 HA SER A 42 -2.049 -7.308 0.923 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.027 -9.399 -0.037 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.465 -9.873 0.600 1.00 0.00 H new ATOM 0 HG SER A 42 -4.098 -9.792 2.246 1.00 0.00 H new ATOM 571 N ARG A 43 -1.947 -7.452 -2.191 1.00 0.00 N ATOM 572 CA ARG A 43 -1.118 -7.638 -3.376 1.00 0.00 C ATOM 573 C ARG A 43 -0.258 -6.405 -3.637 1.00 0.00 C ATOM 574 O ARG A 43 0.821 -6.500 -4.222 1.00 0.00 O ATOM 575 CB ARG A 43 -1.994 -7.930 -4.596 1.00 0.00 C ATOM 576 CG ARG A 43 -1.322 -8.819 -5.629 1.00 0.00 C ATOM 577 CD ARG A 43 -0.562 -8.000 -6.660 1.00 0.00 C ATOM 578 NE ARG A 43 0.306 -8.832 -7.489 1.00 0.00 N ATOM 579 CZ ARG A 43 0.987 -8.373 -8.533 1.00 0.00 C ATOM 580 NH1 ARG A 43 0.901 -7.094 -8.873 1.00 0.00 N ATOM 581 NH2 ARG A 43 1.756 -9.192 -9.238 1.00 0.00 N ATOM 0 H ARG A 43 -2.743 -6.829 -2.326 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.459 -8.488 -3.198 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.917 -8.406 -4.265 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.273 -6.987 -5.067 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.637 -9.504 -5.130 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.074 -9.429 -6.130 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.271 -7.470 -7.296 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.037 -7.244 -6.152 1.00 0.00 H new ATOM 0 HE ARG A 43 0.394 -9.820 -7.253 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.311 -6.461 -8.333 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.425 -6.743 -9.675 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.825 -10.176 -8.979 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.278 -8.838 -10.039 1.00 0.00 H new ATOM 595 N CYS A 44 -0.744 -5.248 -3.200 1.00 0.00 N ATOM 596 CA CYS A 44 -0.022 -3.995 -3.386 1.00 0.00 C ATOM 597 C CYS A 44 0.856 -3.689 -2.177 1.00 0.00 C ATOM 598 O CYS A 44 1.966 -3.174 -2.317 1.00 0.00 O ATOM 599 CB CYS A 44 -1.005 -2.846 -3.621 1.00 0.00 C ATOM 600 SG CYS A 44 -1.906 -2.949 -5.201 1.00 0.00 S ATOM 0 H CYS A 44 -1.636 -5.152 -2.714 1.00 0.00 H new ATOM 0 HA CYS A 44 0.619 -4.100 -4.261 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.727 -2.827 -2.804 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.460 -1.903 -3.587 1.00 0.00 H new ATOM 605 N CYS A 45 0.352 -4.009 -0.990 1.00 0.00 N ATOM 606 CA CYS A 45 1.090 -3.768 0.244 1.00 0.00 C ATOM 607 C CYS A 45 1.913 -4.991 0.634 1.00 0.00 C ATOM 608 O CYS A 45 1.972 -5.365 1.805 1.00 0.00 O ATOM 609 CB CYS A 45 0.128 -3.404 1.376 1.00 0.00 C ATOM 610 SG CYS A 45 0.945 -2.946 2.922 1.00 0.00 S ATOM 0 H CYS A 45 -0.565 -4.436 -0.857 1.00 0.00 H new ATOM 0 HA CYS A 45 1.771 -2.934 0.073 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.501 -2.575 1.051 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.532 -4.251 1.564 1.00 0.00 H new ATOM 0 HG CYS A 45 1.836 -3.843 3.225 1.00 0.00 H new ATOM 616 N SER A 46 2.545 -5.613 -0.356 1.00 0.00 N ATOM 617 CA SER A 46 3.360 -6.798 -0.118 1.00 0.00 C ATOM 618 C SER A 46 4.784 -6.589 -0.625 1.00 0.00 C ATOM 619 O SER A 46 5.368 -7.473 -1.253 1.00 0.00 O ATOM 620 CB SER A 46 2.737 -8.017 -0.801 1.00 0.00 C ATOM 621 OG SER A 46 1.849 -8.693 0.072 1.00 0.00 O ATOM 0 H SER A 46 2.508 -5.316 -1.331 1.00 0.00 H new ATOM 0 HA SER A 46 3.398 -6.973 0.957 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.202 -7.702 -1.697 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.524 -8.699 -1.123 1.00 0.00 H new ATOM 0 HG SER A 46 0.962 -8.747 -0.341 1.00 0.00 H new ATOM 627 N PHE A 47 5.338 -5.414 -0.348 1.00 0.00 N ATOM 628 CA PHE A 47 6.693 -5.086 -0.776 1.00 0.00 C ATOM 629 C PHE A 47 7.563 -4.704 0.418 1.00 0.00 C ATOM 630 O PHE A 47 7.315 -3.700 1.086 1.00 0.00 O ATOM 631 CB PHE A 47 6.668 -3.941 -1.790 1.00 0.00 C ATOM 632 CG PHE A 47 6.113 -4.338 -3.128 1.00 0.00 C ATOM 633 CD1 PHE A 47 6.942 -4.854 -4.111 1.00 0.00 C ATOM 634 CD2 PHE A 47 4.762 -4.196 -3.403 1.00 0.00 C ATOM 635 CE1 PHE A 47 6.434 -5.219 -5.344 1.00 0.00 C ATOM 636 CE2 PHE A 47 4.249 -4.560 -4.634 1.00 0.00 C ATOM 637 CZ PHE A 47 5.086 -5.073 -5.605 1.00 0.00 C ATOM 0 H PHE A 47 4.869 -4.672 0.172 1.00 0.00 H new ATOM 0 HA PHE A 47 7.122 -5.970 -1.248 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.072 -3.122 -1.387 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.681 -3.562 -1.924 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.997 -4.972 -3.912 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.102 -3.796 -2.647 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.091 -5.618 -6.103 1.00 0.00 H new ATOM 0 HE2 PHE A 47 3.195 -4.443 -4.836 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.687 -5.360 -6.567 1.00 0.00 H new ATOM 647 N LYS A 48 8.583 -5.513 0.682 1.00 0.00 N ATOM 648 CA LYS A 48 9.492 -5.262 1.794 1.00 0.00 C ATOM 649 C LYS A 48 10.547 -4.229 1.412 1.00 0.00 C ATOM 650 O LYS A 48 11.284 -4.409 0.442 1.00 0.00 O ATOM 651 CB LYS A 48 10.170 -6.563 2.229 1.00 0.00 C ATOM 652 CG LYS A 48 9.264 -7.484 3.028 1.00 0.00 C ATOM 653 CD LYS A 48 10.009 -8.716 3.514 1.00 0.00 C ATOM 654 CE LYS A 48 10.650 -8.480 4.873 1.00 0.00 C ATOM 655 NZ LYS A 48 9.725 -8.819 5.989 1.00 0.00 N ATOM 0 H LYS A 48 8.801 -6.349 0.140 1.00 0.00 H new ATOM 0 HA LYS A 48 8.908 -4.868 2.626 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.523 -7.092 1.344 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.048 -6.322 2.828 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.857 -6.943 3.882 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.419 -7.789 2.411 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.320 -9.558 3.577 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.778 -8.987 2.790 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.556 -9.081 4.957 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.952 -7.436 4.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.032 -8.331 6.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.761 -8.516 5.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.735 -9.847 6.148 1.00 0.00 H new ATOM 669 N VAL A 49 10.617 -3.147 2.181 1.00 0.00 N ATOM 670 CA VAL A 49 11.584 -2.087 1.925 1.00 0.00 C ATOM 671 C VAL A 49 12.090 -1.478 3.227 1.00 0.00 C ATOM 672 O VAL A 49 11.396 -1.458 4.243 1.00 0.00 O ATOM 673 CB VAL A 49 10.977 -0.973 1.052 1.00 0.00 C ATOM 674 CG1 VAL A 49 10.372 -1.557 -0.216 1.00 0.00 C ATOM 675 CG2 VAL A 49 9.936 -0.189 1.837 1.00 0.00 C ATOM 0 H VAL A 49 10.015 -2.982 2.987 1.00 0.00 H new ATOM 0 HA VAL A 49 12.419 -2.542 1.392 1.00 0.00 H new ATOM 0 HB VAL A 49 11.774 -0.287 0.763 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.948 -0.755 -0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.147 -2.070 -0.786 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.587 -2.266 0.048 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.517 0.594 1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.140 -0.861 2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.404 0.262 2.712 1.00 0.00 H new ATOM 685 N PRO A 50 13.331 -0.968 3.199 1.00 0.00 N ATOM 686 CA PRO A 50 13.958 -0.348 4.369 1.00 0.00 C ATOM 687 C PRO A 50 13.313 0.985 4.735 1.00 0.00 C ATOM 688 O PRO A 50 13.344 1.936 3.954 1.00 0.00 O ATOM 689 CB PRO A 50 15.408 -0.136 3.924 1.00 0.00 C ATOM 690 CG PRO A 50 15.339 -0.049 2.438 1.00 0.00 C ATOM 691 CD PRO A 50 14.216 -0.958 2.022 1.00 0.00 C ATOM 0 HA PRO A 50 13.857 -0.967 5.261 1.00 0.00 H new ATOM 0 HB2 PRO A 50 15.825 0.774 4.355 1.00 0.00 H new ATOM 0 HB3 PRO A 50 16.045 -0.961 4.243 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.152 0.975 2.115 1.00 0.00 H new ATOM 0 HG3 PRO A 50 16.281 -0.359 1.985 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.703 -0.583 1.137 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.577 -1.958 1.782 1.00 0.00 H new ATOM 699 N LYS A 51 12.730 1.047 5.927 1.00 0.00 N ATOM 700 CA LYS A 51 12.078 2.264 6.397 1.00 0.00 C ATOM 701 C LYS A 51 12.995 3.471 6.230 1.00 0.00 C ATOM 702 O LYS A 51 12.532 4.583 5.973 1.00 0.00 O ATOM 703 CB LYS A 51 11.675 2.115 7.866 1.00 0.00 C ATOM 704 CG LYS A 51 12.753 1.487 8.732 1.00 0.00 C ATOM 705 CD LYS A 51 12.315 1.386 10.183 1.00 0.00 C ATOM 706 CE LYS A 51 11.449 0.157 10.419 1.00 0.00 C ATOM 707 NZ LYS A 51 11.009 0.053 11.838 1.00 0.00 N ATOM 0 H LYS A 51 12.695 0.269 6.586 1.00 0.00 H new ATOM 0 HA LYS A 51 11.183 2.424 5.795 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.425 3.097 8.267 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.772 1.507 7.926 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.992 0.493 8.353 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.665 2.081 8.667 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.193 1.343 10.827 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.760 2.282 10.460 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.574 0.199 9.770 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.007 -0.738 10.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.408 -0.788 11.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.842 -0.030 12.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.469 0.903 12.097 1.00 0.00 H new ATOM 721 N SER A 52 14.296 3.245 6.376 1.00 0.00 N ATOM 722 CA SER A 52 15.278 4.316 6.244 1.00 0.00 C ATOM 723 C SER A 52 15.275 4.883 4.827 1.00 0.00 C ATOM 724 O SER A 52 14.785 4.248 3.894 1.00 0.00 O ATOM 725 CB SER A 52 16.675 3.802 6.597 1.00 0.00 C ATOM 726 OG SER A 52 17.017 2.674 5.811 1.00 0.00 O ATOM 0 H SER A 52 14.695 2.330 6.586 1.00 0.00 H new ATOM 0 HA SER A 52 15.006 5.113 6.937 1.00 0.00 H new ATOM 0 HB2 SER A 52 17.408 4.594 6.440 1.00 0.00 H new ATOM 0 HB3 SER A 52 16.712 3.538 7.654 1.00 0.00 H new ATOM 0 HG SER A 52 17.954 2.435 5.971 1.00 0.00 H new ATOM 732 N SER A 53 15.825 6.084 4.676 1.00 0.00 N ATOM 733 CA SER A 53 15.883 6.740 3.375 1.00 0.00 C ATOM 734 C SER A 53 14.480 7.008 2.839 1.00 0.00 C ATOM 735 O SER A 53 14.238 6.924 1.635 1.00 0.00 O ATOM 736 CB SER A 53 16.666 5.879 2.381 1.00 0.00 C ATOM 737 OG SER A 53 18.053 5.904 2.668 1.00 0.00 O ATOM 0 H SER A 53 16.237 6.622 5.438 1.00 0.00 H new ATOM 0 HA SER A 53 16.394 7.695 3.499 1.00 0.00 H new ATOM 0 HB2 SER A 53 16.302 4.852 2.419 1.00 0.00 H new ATOM 0 HB3 SER A 53 16.494 6.241 1.367 1.00 0.00 H new ATOM 0 HG SER A 53 18.531 5.345 2.020 1.00 0.00 H new ATOM 743 N MET A 54 13.559 7.329 3.742 1.00 0.00 N ATOM 744 CA MET A 54 12.180 7.611 3.361 1.00 0.00 C ATOM 745 C MET A 54 11.719 8.946 3.937 1.00 0.00 C ATOM 746 O MET A 54 10.599 9.064 4.433 1.00 0.00 O ATOM 747 CB MET A 54 11.257 6.489 3.839 1.00 0.00 C ATOM 748 CG MET A 54 11.345 5.228 2.994 1.00 0.00 C ATOM 749 SD MET A 54 9.788 4.321 2.935 1.00 0.00 S ATOM 750 CE MET A 54 9.291 4.390 4.655 1.00 0.00 C ATOM 0 H MET A 54 13.743 7.400 4.743 1.00 0.00 H new ATOM 0 HA MET A 54 12.134 7.670 2.274 1.00 0.00 H new ATOM 0 HB2 MET A 54 11.503 6.242 4.872 1.00 0.00 H new ATOM 0 HB3 MET A 54 10.228 6.849 3.834 1.00 0.00 H new ATOM 0 HG2 MET A 54 11.644 5.495 1.980 1.00 0.00 H new ATOM 0 HG3 MET A 54 12.124 4.580 3.396 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.620 3.559 4.873 1.00 0.00 H new ATOM 0 HE2 MET A 54 10.173 4.321 5.292 1.00 0.00 H new ATOM 0 HE3 MET A 54 8.777 5.332 4.848 1.00 0.00 H new ATOM 760 N GLY A 55 12.589 9.948 3.868 1.00 0.00 N ATOM 761 CA GLY A 55 12.251 11.261 4.387 1.00 0.00 C ATOM 762 C GLY A 55 12.950 11.563 5.698 1.00 0.00 C ATOM 763 O GLY A 55 14.105 11.986 5.710 1.00 0.00 O ATOM 0 H GLY A 55 13.522 9.875 3.462 1.00 0.00 H new ATOM 0 HA2 GLY A 55 12.520 12.019 3.652 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.172 11.325 4.531 1.00 0.00 H new ATOM 767 N ALA A 56 12.247 11.346 6.805 1.00 0.00 N ATOM 768 CA ALA A 56 12.806 11.598 8.127 1.00 0.00 C ATOM 769 C ALA A 56 12.998 10.297 8.898 1.00 0.00 C ATOM 770 O ALA A 56 12.067 9.791 9.526 1.00 0.00 O ATOM 771 CB ALA A 56 11.911 12.549 8.907 1.00 0.00 C ATOM 0 H ALA A 56 11.289 10.996 6.812 1.00 0.00 H new ATOM 0 HA ALA A 56 13.784 12.062 7.998 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.341 12.728 9.892 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.829 13.494 8.370 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.921 12.108 9.018 1.00 0.00 H new ATOM 777 N THR A 57 14.212 9.757 8.847 1.00 0.00 N ATOM 778 CA THR A 57 14.526 8.514 9.540 1.00 0.00 C ATOM 779 C THR A 57 15.877 8.601 10.241 1.00 0.00 C ATOM 780 O THR A 57 16.548 9.631 10.190 1.00 0.00 O ATOM 781 CB THR A 57 14.540 7.318 8.568 1.00 0.00 C ATOM 782 OG1 THR A 57 15.388 7.606 7.450 1.00 0.00 O ATOM 783 CG2 THR A 57 13.135 7.002 8.078 1.00 0.00 C ATOM 0 H THR A 57 14.994 10.162 8.332 1.00 0.00 H new ATOM 0 HA THR A 57 13.744 8.360 10.284 1.00 0.00 H new ATOM 0 HB THR A 57 14.925 6.449 9.101 1.00 0.00 H new ATOM 0 HG1 THR A 57 14.864 7.567 6.623 1.00 0.00 H new ATOM 0 HG21 THR A 57 13.170 6.155 7.393 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.500 6.755 8.929 1.00 0.00 H new ATOM 0 HG23 THR A 57 12.726 7.870 7.560 1.00 0.00 H new ATOM 791 N ALA A 58 16.270 7.512 10.894 1.00 0.00 N ATOM 792 CA ALA A 58 17.543 7.465 11.603 1.00 0.00 C ATOM 793 C ALA A 58 18.469 6.414 10.999 1.00 0.00 C ATOM 794 O ALA A 58 18.028 5.444 10.383 1.00 0.00 O ATOM 795 CB ALA A 58 17.313 7.183 13.081 1.00 0.00 C ATOM 0 H ALA A 58 15.725 6.651 10.947 1.00 0.00 H new ATOM 0 HA ALA A 58 18.025 8.437 11.501 1.00 0.00 H new ATOM 0 HB1 ALA A 58 18.272 7.151 13.599 1.00 0.00 H new ATOM 0 HB2 ALA A 58 16.695 7.972 13.510 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.807 6.224 13.194 1.00 0.00 H new ATOM 801 N PRO A 59 19.784 6.611 11.178 1.00 0.00 N ATOM 802 CA PRO A 59 20.799 5.690 10.658 1.00 0.00 C ATOM 803 C PRO A 59 20.800 4.353 11.391 1.00 0.00 C ATOM 804 O PRO A 59 21.597 3.468 11.084 1.00 0.00 O ATOM 805 CB PRO A 59 22.113 6.436 10.905 1.00 0.00 C ATOM 806 CG PRO A 59 21.823 7.347 12.047 1.00 0.00 C ATOM 807 CD PRO A 59 20.380 7.746 11.902 1.00 0.00 C ATOM 0 HA PRO A 59 20.624 5.439 9.612 1.00 0.00 H new ATOM 0 HB2 PRO A 59 22.921 5.745 11.145 1.00 0.00 H new ATOM 0 HB3 PRO A 59 22.423 6.995 10.022 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.996 6.846 13.000 1.00 0.00 H new ATOM 0 HG3 PRO A 59 22.474 8.221 12.024 1.00 0.00 H new ATOM 0 HD2 PRO A 59 19.906 7.898 12.872 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.274 8.678 11.346 1.00 0.00 H new ATOM 815 N GLU A 60 19.901 4.215 12.361 1.00 0.00 N ATOM 816 CA GLU A 60 19.799 2.985 13.137 1.00 0.00 C ATOM 817 C GLU A 60 18.883 1.979 12.446 1.00 0.00 C ATOM 818 O GLU A 60 19.243 0.816 12.268 1.00 0.00 O ATOM 819 CB GLU A 60 19.276 3.285 14.544 1.00 0.00 C ATOM 820 CG GLU A 60 18.979 2.039 15.361 1.00 0.00 C ATOM 821 CD GLU A 60 20.185 1.551 16.140 1.00 0.00 C ATOM 822 OE1 GLU A 60 21.113 0.998 15.513 1.00 0.00 O ATOM 823 OE2 GLU A 60 20.201 1.723 17.377 1.00 0.00 O ATOM 0 H GLU A 60 19.234 4.939 12.628 1.00 0.00 H new ATOM 0 HA GLU A 60 20.796 2.550 13.212 1.00 0.00 H new ATOM 0 HB2 GLU A 60 20.011 3.890 15.074 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.368 3.883 14.465 1.00 0.00 H new ATOM 0 HG2 GLU A 60 18.164 2.249 16.054 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.636 1.246 14.696 1.00 0.00 H new ATOM 830 N ALA A 61 17.697 2.437 12.059 1.00 0.00 N ATOM 831 CA ALA A 61 16.729 1.579 11.386 1.00 0.00 C ATOM 832 C ALA A 61 17.147 1.306 9.945 1.00 0.00 C ATOM 833 O ALA A 61 16.538 1.818 9.006 1.00 0.00 O ATOM 834 CB ALA A 61 15.346 2.211 11.426 1.00 0.00 C ATOM 0 H ALA A 61 17.383 3.397 12.200 1.00 0.00 H new ATOM 0 HA ALA A 61 16.696 0.626 11.914 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.634 1.560 10.920 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.039 2.349 12.463 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.373 3.178 10.924 1.00 0.00 H new ATOM 840 N GLN A 62 18.188 0.497 9.778 1.00 0.00 N ATOM 841 CA GLN A 62 18.687 0.158 8.451 1.00 0.00 C ATOM 842 C GLN A 62 18.310 -1.272 8.076 1.00 0.00 C ATOM 843 O GLN A 62 17.635 -1.504 7.073 1.00 0.00 O ATOM 844 CB GLN A 62 20.206 0.329 8.394 1.00 0.00 C ATOM 845 CG GLN A 62 20.678 1.713 8.810 1.00 0.00 C ATOM 846 CD GLN A 62 20.680 2.699 7.658 1.00 0.00 C ATOM 847 OE1 GLN A 62 19.711 3.430 7.450 1.00 0.00 O ATOM 848 NE2 GLN A 62 21.772 2.726 6.903 1.00 0.00 N ATOM 0 H GLN A 62 18.702 0.064 10.545 1.00 0.00 H new ATOM 0 HA GLN A 62 18.225 0.836 7.733 1.00 0.00 H new ATOM 0 HB2 GLN A 62 20.672 -0.414 9.041 1.00 0.00 H new ATOM 0 HB3 GLN A 62 20.548 0.127 7.379 1.00 0.00 H new ATOM 0 HG2 GLN A 62 20.033 2.089 9.604 1.00 0.00 H new ATOM 0 HG3 GLN A 62 21.684 1.641 9.223 1.00 0.00 H new ATOM 0 HE21 GLN A 62 22.552 2.102 7.112 1.00 0.00 H new ATOM 0 HE22 GLN A 62 21.831 3.370 6.115 1.00 0.00 H new ATOM 857 N ARG A 63 18.752 -2.227 8.888 1.00 0.00 N ATOM 858 CA ARG A 63 18.463 -3.634 8.641 1.00 0.00 C ATOM 859 C ARG A 63 16.959 -3.893 8.671 1.00 0.00 C ATOM 860 O ARG A 63 16.457 -4.767 7.966 1.00 0.00 O ATOM 861 CB ARG A 63 19.163 -4.511 9.681 1.00 0.00 C ATOM 862 CG ARG A 63 19.377 -5.945 9.224 1.00 0.00 C ATOM 863 CD ARG A 63 20.451 -6.033 8.151 1.00 0.00 C ATOM 864 NE ARG A 63 21.788 -5.817 8.697 1.00 0.00 N ATOM 865 CZ ARG A 63 22.827 -5.431 7.965 1.00 0.00 C ATOM 866 NH1 ARG A 63 22.684 -5.220 6.664 1.00 0.00 N ATOM 867 NH2 ARG A 63 24.013 -5.255 8.534 1.00 0.00 N ATOM 0 H ARG A 63 19.312 -2.052 9.723 1.00 0.00 H new ATOM 0 HA ARG A 63 18.839 -3.888 7.650 1.00 0.00 H new ATOM 0 HB2 ARG A 63 20.129 -4.069 9.926 1.00 0.00 H new ATOM 0 HB3 ARG A 63 18.573 -4.515 10.597 1.00 0.00 H new ATOM 0 HG2 ARG A 63 19.662 -6.561 10.077 1.00 0.00 H new ATOM 0 HG3 ARG A 63 18.441 -6.348 8.838 1.00 0.00 H new ATOM 0 HD2 ARG A 63 20.408 -7.012 7.674 1.00 0.00 H new ATOM 0 HD3 ARG A 63 20.252 -5.292 7.377 1.00 0.00 H new ATOM 0 HE ARG A 63 21.932 -5.971 9.695 1.00 0.00 H new ATOM 0 HH11 ARG A 63 21.774 -5.354 6.223 1.00 0.00 H new ATOM 0 HH12 ARG A 63 23.484 -4.924 6.104 1.00 0.00 H new ATOM 0 HH21 ARG A 63 24.128 -5.416 9.535 1.00 0.00 H new ATOM 0 HH22 ARG A 63 24.810 -4.959 7.971 1.00 0.00 H new ATOM 881 N GLU A 64 16.248 -3.128 9.493 1.00 0.00 N ATOM 882 CA GLU A 64 14.803 -3.277 9.616 1.00 0.00 C ATOM 883 C GLU A 64 14.122 -3.116 8.259 1.00 0.00 C ATOM 884 O GLU A 64 14.641 -2.443 7.367 1.00 0.00 O ATOM 885 CB GLU A 64 14.244 -2.251 10.604 1.00 0.00 C ATOM 886 CG GLU A 64 13.005 -2.729 11.342 1.00 0.00 C ATOM 887 CD GLU A 64 13.332 -3.686 12.472 1.00 0.00 C ATOM 888 OE1 GLU A 64 14.450 -4.241 12.475 1.00 0.00 O ATOM 889 OE2 GLU A 64 12.469 -3.879 13.354 1.00 0.00 O ATOM 0 H GLU A 64 16.649 -2.399 10.083 1.00 0.00 H new ATOM 0 HA GLU A 64 14.598 -4.280 9.990 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.016 -2.002 11.332 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.005 -1.334 10.066 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.471 -1.868 11.743 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.334 -3.220 10.637 1.00 0.00 H new ATOM 896 N THR A 65 12.958 -3.739 8.110 1.00 0.00 N ATOM 897 CA THR A 65 12.206 -3.667 6.863 1.00 0.00 C ATOM 898 C THR A 65 10.724 -3.428 7.127 1.00 0.00 C ATOM 899 O THR A 65 10.221 -3.725 8.211 1.00 0.00 O ATOM 900 CB THR A 65 12.368 -4.956 6.035 1.00 0.00 C ATOM 901 OG1 THR A 65 12.136 -6.102 6.863 1.00 0.00 O ATOM 902 CG2 THR A 65 13.759 -5.037 5.426 1.00 0.00 C ATOM 0 H THR A 65 12.515 -4.300 8.838 1.00 0.00 H new ATOM 0 HA THR A 65 12.611 -2.827 6.298 1.00 0.00 H new ATOM 0 HB THR A 65 11.636 -4.937 5.227 1.00 0.00 H new ATOM 0 HG1 THR A 65 12.537 -6.893 6.446 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.849 -5.956 4.846 1.00 0.00 H new ATOM 0 HG22 THR A 65 13.921 -4.179 4.774 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.505 -5.035 6.221 1.00 0.00 H new ATOM 910 N VAL A 66 10.029 -2.891 6.130 1.00 0.00 N ATOM 911 CA VAL A 66 8.603 -2.614 6.254 1.00 0.00 C ATOM 912 C VAL A 66 7.866 -2.935 4.958 1.00 0.00 C ATOM 913 O VAL A 66 8.475 -3.029 3.892 1.00 0.00 O ATOM 914 CB VAL A 66 8.347 -1.142 6.626 1.00 0.00 C ATOM 915 CG1 VAL A 66 8.866 -0.847 8.025 1.00 0.00 C ATOM 916 CG2 VAL A 66 8.989 -0.215 5.605 1.00 0.00 C ATOM 0 H VAL A 66 10.430 -2.639 5.227 1.00 0.00 H new ATOM 0 HA VAL A 66 8.225 -3.253 7.052 1.00 0.00 H new ATOM 0 HB VAL A 66 7.271 -0.965 6.618 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.676 0.198 8.271 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.356 -1.487 8.745 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.938 -1.040 8.064 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.798 0.821 5.884 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.064 -0.391 5.579 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.565 -0.410 4.620 1.00 0.00 H new ATOM 926 N PHE A 67 6.551 -3.101 5.057 1.00 0.00 N ATOM 927 CA PHE A 67 5.730 -3.412 3.893 1.00 0.00 C ATOM 928 C PHE A 67 5.051 -2.155 3.356 1.00 0.00 C ATOM 929 O PHE A 67 4.228 -1.542 4.036 1.00 0.00 O ATOM 930 CB PHE A 67 4.676 -4.462 4.251 1.00 0.00 C ATOM 931 CG PHE A 67 5.249 -5.831 4.481 1.00 0.00 C ATOM 932 CD1 PHE A 67 5.904 -6.133 5.664 1.00 0.00 C ATOM 933 CD2 PHE A 67 5.132 -6.816 3.514 1.00 0.00 C ATOM 934 CE1 PHE A 67 6.432 -7.392 5.878 1.00 0.00 C ATOM 935 CE2 PHE A 67 5.657 -8.078 3.723 1.00 0.00 C ATOM 936 CZ PHE A 67 6.309 -8.366 4.906 1.00 0.00 C ATOM 0 H PHE A 67 6.031 -3.025 5.931 1.00 0.00 H new ATOM 0 HA PHE A 67 6.381 -3.812 3.116 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.147 -4.143 5.149 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.940 -4.515 3.449 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.003 -5.376 6.428 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.625 -6.596 2.586 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.940 -7.614 6.805 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.557 -8.838 2.962 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.722 -9.350 5.071 1.00 0.00 H new ATOM 946 N VAL A 68 5.401 -1.778 2.130 1.00 0.00 N ATOM 947 CA VAL A 68 4.825 -0.596 1.501 1.00 0.00 C ATOM 948 C VAL A 68 3.934 -0.978 0.324 1.00 0.00 C ATOM 949 O VAL A 68 3.821 -2.153 -0.027 1.00 0.00 O ATOM 950 CB VAL A 68 5.922 0.368 1.008 1.00 0.00 C ATOM 951 CG1 VAL A 68 6.828 0.778 2.158 1.00 0.00 C ATOM 952 CG2 VAL A 68 6.726 -0.270 -0.114 1.00 0.00 C ATOM 0 H VAL A 68 6.080 -2.274 1.553 1.00 0.00 H new ATOM 0 HA VAL A 68 4.224 -0.095 2.260 1.00 0.00 H new ATOM 0 HB VAL A 68 5.444 1.266 0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.596 1.459 1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.238 1.278 2.926 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.301 -0.108 2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.496 0.424 -0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.195 -1.184 0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.064 -0.508 -0.946 1.00 0.00 H new ATOM 962 N CYS A 69 3.303 0.021 -0.283 1.00 0.00 N ATOM 963 CA CYS A 69 2.422 -0.209 -1.420 1.00 0.00 C ATOM 964 C CYS A 69 3.191 -0.107 -2.734 1.00 0.00 C ATOM 965 O CYS A 69 4.062 0.748 -2.890 1.00 0.00 O ATOM 966 CB CYS A 69 1.270 0.798 -1.412 1.00 0.00 C ATOM 967 SG CYS A 69 1.769 2.503 -1.817 1.00 0.00 S ATOM 0 H CYS A 69 3.386 0.999 -0.006 1.00 0.00 H new ATOM 0 HA CYS A 69 2.016 -1.217 -1.334 1.00 0.00 H new ATOM 0 HB2 CYS A 69 0.513 0.473 -2.126 1.00 0.00 H new ATOM 0 HB3 CYS A 69 0.803 0.792 -0.427 1.00 0.00 H new ATOM 972 N ALA A 70 2.862 -0.985 -3.676 1.00 0.00 N ATOM 973 CA ALA A 70 3.520 -0.993 -4.977 1.00 0.00 C ATOM 974 C ALA A 70 3.896 0.420 -5.410 1.00 0.00 C ATOM 975 O ALA A 70 5.059 0.703 -5.696 1.00 0.00 O ATOM 976 CB ALA A 70 2.623 -1.645 -6.018 1.00 0.00 C ATOM 0 H ALA A 70 2.144 -1.700 -3.562 1.00 0.00 H new ATOM 0 HA ALA A 70 4.438 -1.575 -4.889 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.127 -1.644 -6.984 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.408 -2.672 -5.722 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.690 -1.087 -6.095 1.00 0.00 H new ATOM 982 N SER A 71 2.903 1.304 -5.457 1.00 0.00 N ATOM 983 CA SER A 71 3.130 2.687 -5.861 1.00 0.00 C ATOM 984 C SER A 71 4.398 3.239 -5.218 1.00 0.00 C ATOM 985 O SER A 71 5.212 3.886 -5.879 1.00 0.00 O ATOM 986 CB SER A 71 1.930 3.555 -5.476 1.00 0.00 C ATOM 987 OG SER A 71 0.850 3.358 -6.373 1.00 0.00 O ATOM 0 H SER A 71 1.935 1.087 -5.221 1.00 0.00 H new ATOM 0 HA SER A 71 3.254 2.709 -6.944 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.613 3.314 -4.461 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.221 4.605 -5.478 1.00 0.00 H new ATOM 0 HG SER A 71 0.095 3.922 -6.105 1.00 0.00 H new ATOM 993 N CYS A 72 4.560 2.980 -3.925 1.00 0.00 N ATOM 994 CA CYS A 72 5.728 3.451 -3.191 1.00 0.00 C ATOM 995 C CYS A 72 6.946 2.582 -3.492 1.00 0.00 C ATOM 996 O CYS A 72 7.934 3.054 -4.053 1.00 0.00 O ATOM 997 CB CYS A 72 5.446 3.449 -1.687 1.00 0.00 C ATOM 998 SG CYS A 72 4.139 4.610 -1.174 1.00 0.00 S ATOM 0 H CYS A 72 3.897 2.446 -3.364 1.00 0.00 H new ATOM 0 HA CYS A 72 5.942 4.470 -3.513 1.00 0.00 H new ATOM 0 HB2 CYS A 72 5.162 2.442 -1.383 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.365 3.695 -1.155 1.00 0.00 H new ATOM 1003 N ASN A 73 6.867 1.310 -3.115 1.00 0.00 N ATOM 1004 CA ASN A 73 7.962 0.375 -3.345 1.00 0.00 C ATOM 1005 C ASN A 73 8.666 0.675 -4.665 1.00 0.00 C ATOM 1006 O ASN A 73 9.892 0.613 -4.753 1.00 0.00 O ATOM 1007 CB ASN A 73 7.441 -1.063 -3.347 1.00 0.00 C ATOM 1008 CG ASN A 73 8.498 -2.061 -3.780 1.00 0.00 C ATOM 1009 OD1 ASN A 73 9.303 -2.519 -2.970 1.00 0.00 O ATOM 1010 ND2 ASN A 73 8.499 -2.401 -5.064 1.00 0.00 N ATOM 0 H ASN A 73 6.056 0.903 -2.649 1.00 0.00 H new ATOM 0 HA ASN A 73 8.682 0.492 -2.535 1.00 0.00 H new ATOM 0 HB2 ASN A 73 7.090 -1.321 -2.348 1.00 0.00 H new ATOM 0 HB3 ASN A 73 6.583 -1.134 -4.015 1.00 0.00 H new ATOM 0 HD21 ASN A 73 9.187 -3.068 -5.414 1.00 0.00 H new ATOM 0 HD22 ASN A 73 7.812 -1.995 -5.700 1.00 0.00 H new ATOM 1017 N GLN A 74 7.882 1.001 -5.687 1.00 0.00 N ATOM 1018 CA GLN A 74 8.430 1.311 -7.002 1.00 0.00 C ATOM 1019 C GLN A 74 9.204 2.625 -6.973 1.00 0.00 C ATOM 1020 O GLN A 74 10.303 2.723 -7.521 1.00 0.00 O ATOM 1021 CB GLN A 74 7.309 1.388 -8.040 1.00 0.00 C ATOM 1022 CG GLN A 74 6.707 0.036 -8.387 1.00 0.00 C ATOM 1023 CD GLN A 74 6.131 -0.004 -9.788 1.00 0.00 C ATOM 1024 OE1 GLN A 74 6.519 -0.838 -10.607 1.00 0.00 O ATOM 1025 NE2 GLN A 74 5.200 0.898 -10.072 1.00 0.00 N ATOM 0 H GLN A 74 6.865 1.057 -5.630 1.00 0.00 H new ATOM 0 HA GLN A 74 9.117 0.512 -7.279 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.522 2.041 -7.664 1.00 0.00 H new ATOM 0 HB3 GLN A 74 7.698 1.847 -8.949 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.473 -0.734 -8.291 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.923 -0.203 -7.669 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.908 1.571 -9.363 1.00 0.00 H new ATOM 0 HE22 GLN A 74 4.776 0.919 -10.999 1.00 0.00 H new ATOM 1034 N THR A 75 8.624 3.634 -6.331 1.00 0.00 N ATOM 1035 CA THR A 75 9.258 4.943 -6.233 1.00 0.00 C ATOM 1036 C THR A 75 10.538 4.873 -5.408 1.00 0.00 C ATOM 1037 O THR A 75 11.563 5.441 -5.785 1.00 0.00 O ATOM 1038 CB THR A 75 8.310 5.980 -5.602 1.00 0.00 C ATOM 1039 OG1 THR A 75 7.104 6.072 -6.369 1.00 0.00 O ATOM 1040 CG2 THR A 75 8.975 7.346 -5.527 1.00 0.00 C ATOM 0 H THR A 75 7.716 3.570 -5.871 1.00 0.00 H new ATOM 0 HA THR A 75 9.500 5.254 -7.249 1.00 0.00 H new ATOM 0 HB THR A 75 8.072 5.653 -4.590 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.523 5.312 -6.157 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.286 8.062 -5.078 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.877 7.279 -4.918 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.239 7.678 -6.531 1.00 0.00 H new ATOM 1048 N LEU A 76 10.472 4.172 -4.281 1.00 0.00 N ATOM 1049 CA LEU A 76 11.628 4.027 -3.402 1.00 0.00 C ATOM 1050 C LEU A 76 12.790 3.366 -4.136 1.00 0.00 C ATOM 1051 O LEU A 76 13.890 3.916 -4.200 1.00 0.00 O ATOM 1052 CB LEU A 76 11.254 3.203 -2.169 1.00 0.00 C ATOM 1053 CG LEU A 76 10.146 3.780 -1.287 1.00 0.00 C ATOM 1054 CD1 LEU A 76 9.636 2.727 -0.315 1.00 0.00 C ATOM 1055 CD2 LEU A 76 10.645 5.005 -0.536 1.00 0.00 C ATOM 0 H LEU A 76 9.631 3.696 -3.954 1.00 0.00 H new ATOM 0 HA LEU A 76 11.941 5.022 -3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.948 2.210 -2.499 1.00 0.00 H new ATOM 0 HB3 LEU A 76 12.147 3.074 -1.558 1.00 0.00 H new ATOM 0 HG LEU A 76 9.319 4.085 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.848 3.155 0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 76 9.239 1.879 -0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.455 2.391 0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.843 5.402 0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.489 4.726 0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 76 10.961 5.766 -1.250 1.00 0.00 H new ATOM 1067 N SER A 77 12.539 2.185 -4.691 1.00 0.00 N ATOM 1068 CA SER A 77 13.565 1.448 -5.419 1.00 0.00 C ATOM 1069 C SER A 77 13.660 1.933 -6.863 1.00 0.00 C ATOM 1070 O SER A 77 13.675 1.133 -7.799 1.00 0.00 O ATOM 1071 CB SER A 77 13.263 -0.051 -5.391 1.00 0.00 C ATOM 1072 OG SER A 77 13.544 -0.605 -4.117 1.00 0.00 O ATOM 0 H SER A 77 11.633 1.718 -4.650 1.00 0.00 H new ATOM 0 HA SER A 77 14.523 1.627 -4.930 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.215 -0.219 -5.641 1.00 0.00 H new ATOM 0 HB3 SER A 77 13.857 -0.559 -6.151 1.00 0.00 H new ATOM 0 HG SER A 77 13.341 -1.564 -4.125 1.00 0.00 H new ATOM 1078 N LYS A 78 13.723 3.248 -7.035 1.00 0.00 N ATOM 1079 CA LYS A 78 13.818 3.843 -8.364 1.00 0.00 C ATOM 1080 C LYS A 78 15.074 4.700 -8.488 1.00 0.00 C ATOM 1081 O LYS A 78 15.034 5.911 -8.269 1.00 0.00 O ATOM 1082 CB LYS A 78 12.578 4.691 -8.655 1.00 0.00 C ATOM 1083 CG LYS A 78 12.625 5.394 -10.000 1.00 0.00 C ATOM 1084 CD LYS A 78 12.020 4.537 -11.099 1.00 0.00 C ATOM 1085 CE LYS A 78 13.067 3.650 -11.755 1.00 0.00 C ATOM 1086 NZ LYS A 78 12.550 3.002 -12.992 1.00 0.00 N ATOM 0 H LYS A 78 13.710 3.924 -6.271 1.00 0.00 H new ATOM 0 HA LYS A 78 13.878 3.035 -9.093 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.695 4.053 -8.618 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.465 5.437 -7.868 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.086 6.339 -9.936 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.659 5.633 -10.251 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.226 3.917 -10.683 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.562 5.179 -11.852 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.947 4.246 -11.998 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.386 2.883 -11.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.294 2.406 -13.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.726 2.413 -12.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.269 3.734 -13.676 1.00 0.00 H new ATOM 1100 N SER A 79 16.186 4.064 -8.842 1.00 0.00 N ATOM 1101 CA SER A 79 17.454 4.769 -8.993 1.00 0.00 C ATOM 1102 C SER A 79 17.321 5.918 -9.987 1.00 0.00 C ATOM 1103 O SER A 79 16.270 6.108 -10.597 1.00 0.00 O ATOM 1104 CB SER A 79 18.546 3.803 -9.455 1.00 0.00 C ATOM 1105 OG SER A 79 18.289 3.331 -10.766 1.00 0.00 O ATOM 0 H SER A 79 16.235 3.063 -9.030 1.00 0.00 H new ATOM 0 HA SER A 79 17.731 5.182 -8.023 1.00 0.00 H new ATOM 0 HB2 SER A 79 19.514 4.304 -9.429 1.00 0.00 H new ATOM 0 HB3 SER A 79 18.605 2.960 -8.767 1.00 0.00 H new ATOM 0 HG SER A 79 19.002 2.717 -11.038 1.00 0.00 H new ATOM 1111 N GLY A 80 18.397 6.683 -10.145 1.00 0.00 N ATOM 1112 CA GLY A 80 18.382 7.805 -11.066 1.00 0.00 C ATOM 1113 C GLY A 80 18.160 9.129 -10.363 1.00 0.00 C ATOM 1114 O GLY A 80 18.498 9.298 -9.191 1.00 0.00 O ATOM 0 H GLY A 80 19.279 6.546 -9.652 1.00 0.00 H new ATOM 0 HA2 GLY A 80 19.327 7.839 -11.608 1.00 0.00 H new ATOM 0 HA3 GLY A 80 17.596 7.654 -11.806 1.00 0.00 H new ATOM 1118 N PRO A 81 17.581 10.098 -11.087 1.00 0.00 N ATOM 1119 CA PRO A 81 17.302 11.432 -10.546 1.00 0.00 C ATOM 1120 C PRO A 81 16.192 11.413 -9.501 1.00 0.00 C ATOM 1121 O PRO A 81 15.543 10.389 -9.289 1.00 0.00 O ATOM 1122 CB PRO A 81 16.865 12.230 -11.777 1.00 0.00 C ATOM 1123 CG PRO A 81 16.336 11.208 -12.723 1.00 0.00 C ATOM 1124 CD PRO A 81 17.152 9.966 -12.490 1.00 0.00 C ATOM 0 HA PRO A 81 18.167 11.853 -10.034 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.102 12.965 -11.522 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.702 12.777 -12.212 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.278 11.019 -12.542 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.427 11.547 -13.755 1.00 0.00 H new ATOM 0 HD2 PRO A 81 16.563 9.063 -12.647 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.004 9.912 -13.167 1.00 0.00 H new ATOM 1132 N SER A 82 15.978 12.553 -8.851 1.00 0.00 N ATOM 1133 CA SER A 82 14.948 12.666 -7.825 1.00 0.00 C ATOM 1134 C SER A 82 13.568 12.827 -8.457 1.00 0.00 C ATOM 1135 O SER A 82 13.215 13.903 -8.937 1.00 0.00 O ATOM 1136 CB SER A 82 15.242 13.854 -6.906 1.00 0.00 C ATOM 1137 OG SER A 82 14.542 13.734 -5.680 1.00 0.00 O ATOM 0 H SER A 82 16.504 13.411 -9.017 1.00 0.00 H new ATOM 0 HA SER A 82 14.954 11.749 -7.235 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.313 13.912 -6.713 1.00 0.00 H new ATOM 0 HB3 SER A 82 14.957 14.781 -7.402 1.00 0.00 H new ATOM 0 HG SER A 82 14.747 14.504 -5.109 1.00 0.00 H new ATOM 1143 N SER A 83 12.793 11.747 -8.452 1.00 0.00 N ATOM 1144 CA SER A 83 11.453 11.765 -9.027 1.00 0.00 C ATOM 1145 C SER A 83 10.392 11.815 -7.932 1.00 0.00 C ATOM 1146 O SER A 83 9.549 12.711 -7.909 1.00 0.00 O ATOM 1147 CB SER A 83 11.236 10.533 -9.908 1.00 0.00 C ATOM 1148 OG SER A 83 10.258 10.782 -10.902 1.00 0.00 O ATOM 0 H SER A 83 13.070 10.849 -8.056 1.00 0.00 H new ATOM 0 HA SER A 83 11.360 12.662 -9.640 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.176 10.251 -10.381 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.925 9.691 -9.290 1.00 0.00 H new ATOM 0 HG SER A 83 10.139 9.980 -11.452 1.00 0.00 H new ATOM 1154 N GLY A 84 10.441 10.845 -7.025 1.00 0.00 N ATOM 1155 CA GLY A 84 9.480 10.795 -5.939 1.00 0.00 C ATOM 1156 C GLY A 84 9.570 12.004 -5.029 1.00 0.00 C ATOM 1157 O GLY A 84 10.169 13.005 -5.420 1.00 0.00 O ATOM 0 H GLY A 84 11.129 10.092 -7.023 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.473 10.729 -6.352 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.645 9.890 -5.354 1.00 0.00 H new TER 1161 GLY A 84 HETATM 1162 ZN ZN A 201 -4.172 -2.935 -4.619 1.00 0.00 ZN HETATM 1163 ZN ZN A 401 2.456 3.641 0.080 1.00 0.00 ZN