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 73 ASN : amide:sc= -0.451 K(o=-6,f=-7.8!) USER MOD Set 1.2: A 74 GLN : amide:sc= -5.55! K(o=-6!,f=-7.8) USER MOD Set 2.1: A 52 SER OG : rot 120:sc= 0.591 USER MOD Set 2.2: A 62 GLN : amide:sc= 0.31 K(o=0.9,f=-2.5!) USER MOD Set 3.1: A 16 ASN :FLIP amide:sc= -0.126 F(o=-1.4,f=-0.056) USER MOD Set 3.2: A 23 THR OG1 : rot -60:sc= 0.0704 USER MOD Set 4.1: A 18 THR OG1 : rot 80:sc= 0.983 USER MOD Set 4.2: A 39 SER OG : rot 127:sc= 0.159 USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0971 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -18:sc= 0.829 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 24:sc= 0.642 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -34:sc= 0.306 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.495 F(o=-1.3,f=-0.49) USER MOD Single : A 13 ASN : amide:sc= 0.0448 K(o=0.045,f=-2.5!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.00324 USER MOD Single : A 28 LYS NZ :NH3+ -102:sc= -0.641 (180deg=-2.34!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 30:sc= 0.117 USER MOD Single : A 34 SER OG : rot 99:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.49 X(o=0.49,f=0) USER MOD Single : A 38 ASN : amide:sc= -2.84 X(o=-2.8,f=-3.1) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot -50:sc= -0.361 USER MOD Single : A 46 SER OG : rot -57:sc= 0.00459 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -151:sc= -0.467 (180deg=-1.66!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -159:sc= -1.99 (180deg=-3.71!) USER MOD Single : A 57 THR OG1 : rot -159:sc= -0.639 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 84:sc= 0.0434 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 166:sc=-0.00791 (180deg=-0.158) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -55:sc= 0.508 USER MOD Single : A 83 SER OG : rot -110:sc= 0.858 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.118 37.061 -17.143 1.00 0.00 N ATOM 2 CA GLY A 1 -2.110 36.446 -16.279 1.00 0.00 C ATOM 3 C GLY A 1 -1.530 35.330 -15.434 1.00 0.00 C ATOM 4 O GLY A 1 -0.315 35.132 -15.403 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.085 38.084 -16.960 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.184 36.645 -16.951 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.373 36.895 -18.137 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.540 37.206 -15.626 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.923 36.051 -16.888 1.00 0.00 H new ATOM 8 N SER A 2 -2.400 34.600 -14.743 1.00 0.00 N ATOM 9 CA SER A 2 -1.966 33.501 -13.888 1.00 0.00 C ATOM 10 C SER A 2 -3.158 32.663 -13.434 1.00 0.00 C ATOM 11 O SER A 2 -4.041 33.151 -12.729 1.00 0.00 O ATOM 12 CB SER A 2 -1.214 34.040 -12.670 1.00 0.00 C ATOM 13 OG SER A 2 -0.989 33.017 -11.716 1.00 0.00 O ATOM 0 H SER A 2 -3.409 34.750 -14.758 1.00 0.00 H new ATOM 0 HA SER A 2 -1.296 32.866 -14.467 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.260 34.463 -12.986 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.786 34.848 -12.214 1.00 0.00 H new ATOM 0 HG SER A 2 -0.505 33.387 -10.948 1.00 0.00 H new ATOM 19 N SER A 3 -3.175 31.399 -13.844 1.00 0.00 N ATOM 20 CA SER A 3 -4.260 30.493 -13.484 1.00 0.00 C ATOM 21 C SER A 3 -3.818 29.039 -13.611 1.00 0.00 C ATOM 22 O SER A 3 -3.539 28.557 -14.709 1.00 0.00 O ATOM 23 CB SER A 3 -5.481 30.747 -14.370 1.00 0.00 C ATOM 24 OG SER A 3 -5.932 32.084 -14.246 1.00 0.00 O ATOM 0 H SER A 3 -2.450 30.979 -14.426 1.00 0.00 H new ATOM 0 HA SER A 3 -4.529 30.683 -12.445 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.229 30.540 -15.410 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.283 30.062 -14.094 1.00 0.00 H new ATOM 0 HG SER A 3 -5.560 32.480 -13.430 1.00 0.00 H new ATOM 30 N GLY A 4 -3.756 28.343 -12.480 1.00 0.00 N ATOM 31 CA GLY A 4 -3.348 26.951 -12.485 1.00 0.00 C ATOM 32 C GLY A 4 -3.837 26.198 -11.264 1.00 0.00 C ATOM 33 O GLY A 4 -4.223 26.805 -10.265 1.00 0.00 O ATOM 0 H GLY A 4 -3.982 28.719 -11.559 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.731 26.467 -13.384 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.260 26.895 -12.531 1.00 0.00 H new ATOM 37 N SER A 5 -3.824 24.871 -11.344 1.00 0.00 N ATOM 38 CA SER A 5 -4.275 24.034 -10.239 1.00 0.00 C ATOM 39 C SER A 5 -3.300 24.109 -9.068 1.00 0.00 C ATOM 40 O SER A 5 -2.094 24.266 -9.259 1.00 0.00 O ATOM 41 CB SER A 5 -4.427 22.583 -10.699 1.00 0.00 C ATOM 42 OG SER A 5 -4.831 21.748 -9.628 1.00 0.00 O ATOM 0 H SER A 5 -3.506 24.353 -12.163 1.00 0.00 H new ATOM 0 HA SER A 5 -5.244 24.405 -9.907 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.160 22.528 -11.503 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.481 22.226 -11.105 1.00 0.00 H new ATOM 0 HG SER A 5 -4.923 20.826 -9.948 1.00 0.00 H new ATOM 48 N SER A 6 -3.831 23.994 -7.855 1.00 0.00 N ATOM 49 CA SER A 6 -3.010 24.052 -6.652 1.00 0.00 C ATOM 50 C SER A 6 -3.623 23.213 -5.534 1.00 0.00 C ATOM 51 O SER A 6 -4.730 23.487 -5.073 1.00 0.00 O ATOM 52 CB SER A 6 -2.849 25.501 -6.188 1.00 0.00 C ATOM 53 OG SER A 6 -4.089 26.042 -5.766 1.00 0.00 O ATOM 0 H SER A 6 -4.827 23.860 -7.680 1.00 0.00 H new ATOM 0 HA SER A 6 -2.028 23.644 -6.892 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.131 25.546 -5.369 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.443 26.104 -7.001 1.00 0.00 H new ATOM 0 HG SER A 6 -4.691 25.315 -5.503 1.00 0.00 H new ATOM 59 N GLY A 7 -2.893 22.189 -5.103 1.00 0.00 N ATOM 60 CA GLY A 7 -3.381 21.325 -4.044 1.00 0.00 C ATOM 61 C GLY A 7 -2.342 20.316 -3.595 1.00 0.00 C ATOM 62 O GLY A 7 -1.811 19.559 -4.408 1.00 0.00 O ATOM 0 H GLY A 7 -1.973 21.942 -5.468 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.683 21.934 -3.192 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.270 20.797 -4.390 1.00 0.00 H new ATOM 66 N ARG A 8 -2.051 20.305 -2.298 1.00 0.00 N ATOM 67 CA ARG A 8 -1.067 19.383 -1.744 1.00 0.00 C ATOM 68 C ARG A 8 -1.421 17.939 -2.088 1.00 0.00 C ATOM 69 O ARG A 8 -0.663 17.250 -2.771 1.00 0.00 O ATOM 70 CB ARG A 8 -0.980 19.550 -0.226 1.00 0.00 C ATOM 71 CG ARG A 8 -0.633 20.964 0.213 1.00 0.00 C ATOM 72 CD ARG A 8 -0.521 21.066 1.726 1.00 0.00 C ATOM 73 NE ARG A 8 0.190 22.272 2.141 1.00 0.00 N ATOM 74 CZ ARG A 8 0.159 22.753 3.379 1.00 0.00 C ATOM 75 NH1 ARG A 8 -0.543 22.134 4.318 1.00 0.00 N ATOM 76 NH2 ARG A 8 0.833 23.856 3.681 1.00 0.00 N ATOM 0 H ARG A 8 -2.483 20.924 -1.612 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.098 19.616 -2.185 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.934 19.265 0.218 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -0.229 18.863 0.164 1.00 0.00 H new ATOM 0 HG2 ARG A 8 0.309 21.267 -0.244 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.397 21.655 -0.144 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.519 21.064 2.164 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -0.002 20.188 2.111 1.00 0.00 H new ATOM 0 HE ARG A 8 0.740 22.772 1.443 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.062 21.286 4.091 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.564 22.506 5.267 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.375 24.335 2.962 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.808 24.224 4.632 1.00 0.00 H new ATOM 90 N TYR A 9 -2.575 17.488 -1.610 1.00 0.00 N ATOM 91 CA TYR A 9 -3.028 16.126 -1.864 1.00 0.00 C ATOM 92 C TYR A 9 -4.551 16.048 -1.862 1.00 0.00 C ATOM 93 O TYR A 9 -5.219 16.466 -0.915 1.00 0.00 O ATOM 94 CB TYR A 9 -2.456 15.172 -0.814 1.00 0.00 C ATOM 95 CG TYR A 9 -2.867 15.512 0.601 1.00 0.00 C ATOM 96 CD1 TYR A 9 -4.041 15.005 1.145 1.00 0.00 C ATOM 97 CD2 TYR A 9 -2.081 16.339 1.394 1.00 0.00 C ATOM 98 CE1 TYR A 9 -4.421 15.314 2.437 1.00 0.00 C ATOM 99 CE2 TYR A 9 -2.453 16.652 2.687 1.00 0.00 C ATOM 100 CZ TYR A 9 -3.624 16.138 3.204 1.00 0.00 C ATOM 101 OH TYR A 9 -3.998 16.446 4.492 1.00 0.00 O ATOM 0 H TYR A 9 -3.214 18.046 -1.044 1.00 0.00 H new ATOM 0 HA TYR A 9 -2.669 15.829 -2.849 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -2.779 14.157 -1.043 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.368 15.183 -0.880 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.667 14.359 0.548 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -1.164 16.744 0.993 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.337 14.912 2.844 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -1.830 17.296 3.290 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.327 17.036 4.895 1.00 0.00 H new ATOM 111 N PRO A 10 -5.116 15.500 -2.948 1.00 0.00 N ATOM 112 CA PRO A 10 -6.567 15.353 -3.096 1.00 0.00 C ATOM 113 C PRO A 10 -7.144 14.308 -2.148 1.00 0.00 C ATOM 114 O PRO A 10 -7.126 13.112 -2.440 1.00 0.00 O ATOM 115 CB PRO A 10 -6.731 14.904 -4.551 1.00 0.00 C ATOM 116 CG PRO A 10 -5.439 14.247 -4.892 1.00 0.00 C ATOM 117 CD PRO A 10 -4.382 14.981 -4.114 1.00 0.00 C ATOM 0 HA PRO A 10 -7.096 16.275 -2.857 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.567 14.214 -4.660 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.929 15.752 -5.207 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.456 13.190 -4.625 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.244 14.302 -5.963 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.570 14.318 -3.815 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.938 15.786 -4.700 1.00 0.00 H new ATOM 125 N THR A 11 -7.657 14.766 -1.010 1.00 0.00 N ATOM 126 CA THR A 11 -8.238 13.871 -0.018 1.00 0.00 C ATOM 127 C THR A 11 -9.541 13.262 -0.524 1.00 0.00 C ATOM 128 O THR A 11 -10.485 13.978 -0.854 1.00 0.00 O ATOM 129 CB THR A 11 -8.509 14.603 1.310 1.00 0.00 C ATOM 130 OG1 THR A 11 -7.320 15.267 1.754 1.00 0.00 O ATOM 131 CG2 THR A 11 -8.981 13.629 2.378 1.00 0.00 C ATOM 0 H THR A 11 -7.682 15.753 -0.753 1.00 0.00 H new ATOM 0 HA THR A 11 -7.511 13.077 0.155 1.00 0.00 H new ATOM 0 HB THR A 11 -9.294 15.339 1.140 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.535 14.737 1.500 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.166 14.169 3.307 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.901 13.147 2.049 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.214 12.872 2.545 1.00 0.00 H new ATOM 139 N ASN A 12 -9.585 11.935 -0.582 1.00 0.00 N ATOM 140 CA ASN A 12 -10.774 11.229 -1.048 1.00 0.00 C ATOM 141 C ASN A 12 -11.251 10.221 -0.007 1.00 0.00 C ATOM 142 O ASN A 12 -10.476 9.767 0.832 1.00 0.00 O ATOM 143 CB ASN A 12 -10.483 10.515 -2.370 1.00 0.00 C ATOM 144 CG ASN A 12 -11.655 9.678 -2.845 1.00 0.00 C ATOM 145 OD1 ASN A 12 -12.816 10.309 -2.980 1.00 0.00 O flip ATOM 146 ND2 ASN A 12 -11.518 8.479 -3.088 1.00 0.00 N flip ATOM 0 H ASN A 12 -8.812 11.327 -0.312 1.00 0.00 H new ATOM 0 HA ASN A 12 -11.564 11.963 -1.205 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -10.235 11.254 -3.132 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -9.608 9.876 -2.250 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -10.607 8.036 -2.970 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -12.315 7.929 -3.407 1.00 0.00 H new ATOM 153 N ASN A 13 -12.533 9.877 -0.070 1.00 0.00 N ATOM 154 CA ASN A 13 -13.115 8.922 0.867 1.00 0.00 C ATOM 155 C ASN A 13 -12.498 7.538 0.687 1.00 0.00 C ATOM 156 O ASN A 13 -12.431 7.017 -0.426 1.00 0.00 O ATOM 157 CB ASN A 13 -14.631 8.846 0.675 1.00 0.00 C ATOM 158 CG ASN A 13 -15.297 10.204 0.788 1.00 0.00 C ATOM 159 OD1 ASN A 13 -15.075 11.087 -0.041 1.00 0.00 O ATOM 160 ND2 ASN A 13 -16.118 10.376 1.817 1.00 0.00 N ATOM 0 H ASN A 13 -13.189 10.245 -0.759 1.00 0.00 H new ATOM 0 HA ASN A 13 -12.901 9.267 1.879 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -14.850 8.417 -0.303 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -15.056 8.173 1.420 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -16.595 11.268 1.945 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -16.272 9.616 2.479 1.00 0.00 H new ATOM 167 N PHE A 14 -12.049 6.949 1.790 1.00 0.00 N ATOM 168 CA PHE A 14 -11.437 5.625 1.755 1.00 0.00 C ATOM 169 C PHE A 14 -12.500 4.538 1.628 1.00 0.00 C ATOM 170 O PHE A 14 -13.695 4.807 1.741 1.00 0.00 O ATOM 171 CB PHE A 14 -10.601 5.393 3.015 1.00 0.00 C ATOM 172 CG PHE A 14 -9.784 6.586 3.421 1.00 0.00 C ATOM 173 CD1 PHE A 14 -8.648 6.938 2.711 1.00 0.00 C ATOM 174 CD2 PHE A 14 -10.153 7.356 4.513 1.00 0.00 C ATOM 175 CE1 PHE A 14 -7.894 8.035 3.084 1.00 0.00 C ATOM 176 CE2 PHE A 14 -9.404 8.454 4.890 1.00 0.00 C ATOM 177 CZ PHE A 14 -8.273 8.795 4.173 1.00 0.00 C ATOM 0 H PHE A 14 -12.097 7.367 2.719 1.00 0.00 H new ATOM 0 HA PHE A 14 -10.786 5.576 0.882 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -11.264 5.120 3.836 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.935 4.546 2.849 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.348 6.349 1.857 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -11.037 7.094 5.076 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.009 8.298 2.524 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -9.702 9.045 5.744 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.687 9.654 4.464 1.00 0.00 H new ATOM 187 N GLY A 15 -12.055 3.308 1.392 1.00 0.00 N ATOM 188 CA GLY A 15 -12.979 2.198 1.252 1.00 0.00 C ATOM 189 C GLY A 15 -12.389 1.047 0.463 1.00 0.00 C ATOM 190 O GLY A 15 -12.681 -0.116 0.737 1.00 0.00 O ATOM 0 H GLY A 15 -11.070 3.060 1.295 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -13.270 1.845 2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -13.887 2.545 0.758 1.00 0.00 H new ATOM 194 N ASN A 16 -11.556 1.371 -0.521 1.00 0.00 N ATOM 195 CA ASN A 16 -10.925 0.355 -1.355 1.00 0.00 C ATOM 196 C ASN A 16 -9.428 0.616 -1.490 1.00 0.00 C ATOM 197 O ASN A 16 -8.908 1.600 -0.964 1.00 0.00 O ATOM 198 CB ASN A 16 -11.576 0.325 -2.739 1.00 0.00 C ATOM 199 CG ASN A 16 -13.049 0.680 -2.693 1.00 0.00 C ATOM 200 OD1 ASN A 16 -13.812 -0.064 -1.900 1.00 0.00 O flip ATOM 201 ND2 ASN A 16 -13.496 1.611 -3.363 1.00 0.00 N flip ATOM 0 H ASN A 16 -11.302 2.330 -0.760 1.00 0.00 H new ATOM 0 HA ASN A 16 -11.065 -0.613 -0.874 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.057 1.023 -3.397 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.458 -0.669 -3.172 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.873 2.156 -3.959 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -14.490 1.837 -3.322 1.00 0.00 H new ATOM 208 N CYS A 17 -8.740 -0.273 -2.199 1.00 0.00 N ATOM 209 CA CYS A 17 -7.302 -0.141 -2.404 1.00 0.00 C ATOM 210 C CYS A 17 -6.982 1.109 -3.218 1.00 0.00 C ATOM 211 O CYS A 17 -7.735 1.490 -4.115 1.00 0.00 O ATOM 212 CB CYS A 17 -6.751 -1.380 -3.113 1.00 0.00 C ATOM 213 SG CYS A 17 -4.948 -1.349 -3.368 1.00 0.00 S ATOM 0 H CYS A 17 -9.155 -1.093 -2.641 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.827 -0.049 -1.427 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.010 -2.264 -2.530 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.243 -1.481 -4.081 1.00 0.00 H new ATOM 218 N THR A 18 -5.859 1.745 -2.900 1.00 0.00 N ATOM 219 CA THR A 18 -5.438 2.952 -3.600 1.00 0.00 C ATOM 220 C THR A 18 -4.504 2.619 -4.757 1.00 0.00 C ATOM 221 O THR A 18 -3.776 3.481 -5.248 1.00 0.00 O ATOM 222 CB THR A 18 -4.730 3.935 -2.650 1.00 0.00 C ATOM 223 OG1 THR A 18 -5.345 3.896 -1.357 1.00 0.00 O ATOM 224 CG2 THR A 18 -4.783 5.352 -3.199 1.00 0.00 C ATOM 0 H THR A 18 -5.224 1.444 -2.161 1.00 0.00 H new ATOM 0 HA THR A 18 -6.341 3.422 -3.989 1.00 0.00 H new ATOM 0 HB THR A 18 -3.686 3.634 -2.565 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.017 3.117 -0.862 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.276 6.028 -2.510 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.288 5.385 -4.170 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.823 5.660 -3.311 1.00 0.00 H new ATOM 232 N GLY A 19 -4.529 1.362 -5.190 1.00 0.00 N ATOM 233 CA GLY A 19 -3.680 0.937 -6.288 1.00 0.00 C ATOM 234 C GLY A 19 -4.452 0.214 -7.373 1.00 0.00 C ATOM 235 O GLY A 19 -4.318 0.528 -8.556 1.00 0.00 O ATOM 0 H GLY A 19 -5.122 0.630 -4.800 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.185 1.808 -6.718 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.898 0.282 -5.905 1.00 0.00 H new ATOM 239 N CYS A 20 -5.263 -0.760 -6.971 1.00 0.00 N ATOM 240 CA CYS A 20 -6.058 -1.532 -7.917 1.00 0.00 C ATOM 241 C CYS A 20 -7.549 -1.276 -7.711 1.00 0.00 C ATOM 242 O CYS A 20 -8.389 -1.853 -8.401 1.00 0.00 O ATOM 243 CB CYS A 20 -5.761 -3.025 -7.766 1.00 0.00 C ATOM 244 SG CYS A 20 -5.965 -3.657 -6.070 1.00 0.00 S ATOM 0 H CYS A 20 -5.386 -1.033 -5.996 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.788 -1.214 -8.924 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -6.418 -3.584 -8.432 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.739 -3.216 -8.093 1.00 0.00 H new ATOM 249 N SER A 21 -7.868 -0.408 -6.757 1.00 0.00 N ATOM 250 CA SER A 21 -9.256 -0.078 -6.457 1.00 0.00 C ATOM 251 C SER A 21 -10.092 -1.343 -6.293 1.00 0.00 C ATOM 252 O SER A 21 -11.141 -1.492 -6.919 1.00 0.00 O ATOM 253 CB SER A 21 -9.845 0.797 -7.565 1.00 0.00 C ATOM 254 OG SER A 21 -9.231 2.074 -7.588 1.00 0.00 O ATOM 0 H SER A 21 -7.184 0.080 -6.178 1.00 0.00 H new ATOM 0 HA SER A 21 -9.278 0.475 -5.518 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.710 0.308 -8.530 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.918 0.909 -7.412 1.00 0.00 H new ATOM 0 HG SER A 21 -9.624 2.613 -8.306 1.00 0.00 H new ATOM 260 N ALA A 22 -9.619 -2.252 -5.447 1.00 0.00 N ATOM 261 CA ALA A 22 -10.323 -3.504 -5.199 1.00 0.00 C ATOM 262 C ALA A 22 -10.821 -3.578 -3.759 1.00 0.00 C ATOM 263 O ALA A 22 -10.044 -3.813 -2.833 1.00 0.00 O ATOM 264 CB ALA A 22 -9.418 -4.688 -5.508 1.00 0.00 C ATOM 0 H ALA A 22 -8.751 -2.145 -4.922 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.190 -3.542 -5.858 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.956 -5.617 -5.318 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.115 -4.651 -6.554 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.533 -4.645 -4.873 1.00 0.00 H new ATOM 270 N THR A 23 -12.122 -3.375 -3.577 1.00 0.00 N ATOM 271 CA THR A 23 -12.723 -3.416 -2.250 1.00 0.00 C ATOM 272 C THR A 23 -12.105 -4.521 -1.401 1.00 0.00 C ATOM 273 O THR A 23 -11.694 -5.559 -1.918 1.00 0.00 O ATOM 274 CB THR A 23 -14.246 -3.637 -2.330 1.00 0.00 C ATOM 275 OG1 THR A 23 -14.815 -2.769 -3.317 1.00 0.00 O ATOM 276 CG2 THR A 23 -14.901 -3.379 -0.982 1.00 0.00 C ATOM 0 H THR A 23 -12.780 -3.181 -4.332 1.00 0.00 H new ATOM 0 HA THR A 23 -12.527 -2.450 -1.784 1.00 0.00 H new ATOM 0 HB THR A 23 -14.427 -4.674 -2.611 1.00 0.00 H new ATOM 0 HG1 THR A 23 -14.640 -1.836 -3.072 1.00 0.00 H new ATOM 0 HG21 THR A 23 -15.976 -3.541 -1.063 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.486 -4.061 -0.239 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.711 -2.350 -0.676 1.00 0.00 H new ATOM 284 N PHE A 24 -12.044 -4.291 -0.093 1.00 0.00 N ATOM 285 CA PHE A 24 -11.475 -5.267 0.829 1.00 0.00 C ATOM 286 C PHE A 24 -12.557 -6.194 1.375 1.00 0.00 C ATOM 287 O PHE A 24 -13.722 -5.810 1.482 1.00 0.00 O ATOM 288 CB PHE A 24 -10.765 -4.557 1.983 1.00 0.00 C ATOM 289 CG PHE A 24 -9.759 -3.537 1.532 1.00 0.00 C ATOM 290 CD1 PHE A 24 -8.459 -3.913 1.234 1.00 0.00 C ATOM 291 CD2 PHE A 24 -10.113 -2.204 1.406 1.00 0.00 C ATOM 292 CE1 PHE A 24 -7.530 -2.977 0.818 1.00 0.00 C ATOM 293 CE2 PHE A 24 -9.189 -1.264 0.990 1.00 0.00 C ATOM 294 CZ PHE A 24 -7.895 -1.651 0.696 1.00 0.00 C ATOM 0 H PHE A 24 -12.382 -3.437 0.352 1.00 0.00 H new ATOM 0 HA PHE A 24 -10.749 -5.868 0.281 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -11.510 -4.068 2.611 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.264 -5.300 2.603 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.168 -4.949 1.328 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -11.122 -1.896 1.635 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.520 -3.283 0.589 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -9.478 -0.228 0.895 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.171 -0.918 0.372 1.00 0.00 H new ATOM 304 N SER A 25 -12.163 -7.416 1.719 1.00 0.00 N ATOM 305 CA SER A 25 -13.100 -8.399 2.251 1.00 0.00 C ATOM 306 C SER A 25 -12.412 -9.315 3.259 1.00 0.00 C ATOM 307 O SER A 25 -11.224 -9.162 3.544 1.00 0.00 O ATOM 308 CB SER A 25 -13.698 -9.231 1.114 1.00 0.00 C ATOM 309 OG SER A 25 -14.983 -9.718 1.461 1.00 0.00 O ATOM 0 H SER A 25 -11.202 -7.749 1.639 1.00 0.00 H new ATOM 0 HA SER A 25 -13.901 -7.863 2.761 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.767 -8.623 0.212 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.038 -10.068 0.885 1.00 0.00 H new ATOM 0 HG SER A 25 -15.345 -10.245 0.718 1.00 0.00 H new ATOM 315 N VAL A 26 -13.168 -10.268 3.795 1.00 0.00 N ATOM 316 CA VAL A 26 -12.632 -11.210 4.771 1.00 0.00 C ATOM 317 C VAL A 26 -11.246 -11.695 4.362 1.00 0.00 C ATOM 318 O VAL A 26 -10.311 -11.686 5.165 1.00 0.00 O ATOM 319 CB VAL A 26 -13.560 -12.427 4.943 1.00 0.00 C ATOM 320 CG1 VAL A 26 -12.970 -13.411 5.942 1.00 0.00 C ATOM 321 CG2 VAL A 26 -14.948 -11.981 5.378 1.00 0.00 C ATOM 0 H VAL A 26 -14.153 -10.408 3.570 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.562 -10.678 5.720 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.650 -12.932 3.981 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.639 -14.264 6.051 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.999 -13.754 5.585 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.848 -12.920 6.908 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -15.591 -12.854 5.495 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.879 -11.452 6.328 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.370 -11.318 4.623 1.00 0.00 H new ATOM 331 N LEU A 27 -11.119 -12.118 3.109 1.00 0.00 N ATOM 332 CA LEU A 27 -9.845 -12.608 2.593 1.00 0.00 C ATOM 333 C LEU A 27 -8.857 -11.461 2.406 1.00 0.00 C ATOM 334 O LEU A 27 -7.758 -11.477 2.961 1.00 0.00 O ATOM 335 CB LEU A 27 -10.057 -13.335 1.264 1.00 0.00 C ATOM 336 CG LEU A 27 -10.462 -14.806 1.361 1.00 0.00 C ATOM 337 CD1 LEU A 27 -11.035 -15.291 0.039 1.00 0.00 C ATOM 338 CD2 LEU A 27 -9.272 -15.661 1.774 1.00 0.00 C ATOM 0 H LEU A 27 -11.882 -12.132 2.432 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.430 -13.306 3.320 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.824 -12.804 0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.135 -13.270 0.686 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.234 -14.900 2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.317 -16.340 0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.914 -14.699 -0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.285 -15.182 -0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.579 -16.705 1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.478 -15.561 1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.906 -15.330 2.746 1.00 0.00 H new ATOM 350 N LYS A 28 -9.255 -10.465 1.622 1.00 0.00 N ATOM 351 CA LYS A 28 -8.407 -9.308 1.363 1.00 0.00 C ATOM 352 C LYS A 28 -8.491 -8.305 2.510 1.00 0.00 C ATOM 353 O LYS A 28 -9.398 -7.474 2.557 1.00 0.00 O ATOM 354 CB LYS A 28 -8.815 -8.633 0.051 1.00 0.00 C ATOM 355 CG LYS A 28 -7.798 -7.626 -0.456 1.00 0.00 C ATOM 356 CD LYS A 28 -8.089 -7.213 -1.889 1.00 0.00 C ATOM 357 CE LYS A 28 -7.598 -8.258 -2.880 1.00 0.00 C ATOM 358 NZ LYS A 28 -8.630 -9.297 -3.148 1.00 0.00 N ATOM 0 H LYS A 28 -10.161 -10.436 1.154 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.377 -9.655 1.281 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.966 -9.399 -0.710 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.772 -8.131 0.193 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.805 -6.745 0.186 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.798 -8.056 -0.396 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.161 -7.065 -2.016 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.609 -6.257 -2.098 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.322 -7.770 -3.815 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.697 -8.733 -2.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.401 -10.160 -2.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.563 -8.944 -2.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.648 -9.514 -4.165 1.00 0.00 H new ATOM 372 N LYS A 29 -7.538 -8.388 3.432 1.00 0.00 N ATOM 373 CA LYS A 29 -7.502 -7.486 4.578 1.00 0.00 C ATOM 374 C LYS A 29 -6.919 -6.132 4.186 1.00 0.00 C ATOM 375 O LYS A 29 -5.883 -6.059 3.526 1.00 0.00 O ATOM 376 CB LYS A 29 -6.676 -8.100 5.710 1.00 0.00 C ATOM 377 CG LYS A 29 -5.252 -8.442 5.308 1.00 0.00 C ATOM 378 CD LYS A 29 -4.732 -9.651 6.068 1.00 0.00 C ATOM 379 CE LYS A 29 -4.073 -9.246 7.377 1.00 0.00 C ATOM 380 NZ LYS A 29 -3.420 -10.402 8.051 1.00 0.00 N ATOM 0 H LYS A 29 -6.780 -9.070 3.408 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.525 -7.336 4.923 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.651 -7.404 6.549 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.173 -9.004 6.061 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.213 -8.640 4.237 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.604 -7.586 5.497 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.555 -10.336 6.271 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.014 -10.190 5.449 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.331 -8.471 7.185 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.821 -8.814 8.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.983 -10.084 8.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.132 -11.131 8.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.688 -10.799 7.428 1.00 0.00 H new ATOM 394 N ARG A 30 -7.591 -5.062 4.599 1.00 0.00 N ATOM 395 CA ARG A 30 -7.139 -3.711 4.291 1.00 0.00 C ATOM 396 C ARG A 30 -5.815 -3.408 4.987 1.00 0.00 C ATOM 397 O ARG A 30 -5.786 -3.088 6.176 1.00 0.00 O ATOM 398 CB ARG A 30 -8.195 -2.688 4.715 1.00 0.00 C ATOM 399 CG ARG A 30 -7.973 -1.304 4.128 1.00 0.00 C ATOM 400 CD ARG A 30 -9.260 -0.494 4.108 1.00 0.00 C ATOM 401 NE ARG A 30 -9.003 0.943 4.161 1.00 0.00 N ATOM 402 CZ ARG A 30 -8.776 1.607 5.289 1.00 0.00 C ATOM 403 NH1 ARG A 30 -8.772 0.967 6.450 1.00 0.00 N ATOM 404 NH2 ARG A 30 -8.550 2.914 5.256 1.00 0.00 N ATOM 0 H ARG A 30 -8.450 -5.105 5.147 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.988 -3.643 3.214 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.179 -3.048 4.413 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.202 -2.615 5.803 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.219 -0.777 4.712 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.584 -1.396 3.114 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.822 -0.729 3.204 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.883 -0.782 4.955 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.998 1.465 3.285 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.944 -0.038 6.479 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.597 1.480 7.314 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.551 3.409 4.364 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.376 3.423 6.122 1.00 0.00 H new ATOM 418 N ARG A 31 -4.722 -3.513 4.239 1.00 0.00 N ATOM 419 CA ARG A 31 -3.395 -3.252 4.784 1.00 0.00 C ATOM 420 C ARG A 31 -3.037 -1.774 4.660 1.00 0.00 C ATOM 421 O ARG A 31 -3.453 -1.102 3.716 1.00 0.00 O ATOM 422 CB ARG A 31 -2.349 -4.104 4.064 1.00 0.00 C ATOM 423 CG ARG A 31 -2.096 -5.449 4.728 1.00 0.00 C ATOM 424 CD ARG A 31 -1.344 -6.393 3.804 1.00 0.00 C ATOM 425 NE ARG A 31 -1.513 -7.791 4.194 1.00 0.00 N ATOM 426 CZ ARG A 31 -0.638 -8.746 3.903 1.00 0.00 C ATOM 427 NH1 ARG A 31 0.463 -8.456 3.222 1.00 0.00 N ATOM 428 NH2 ARG A 31 -0.862 -9.994 4.293 1.00 0.00 N ATOM 0 H ARG A 31 -4.729 -3.777 3.254 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.405 -3.517 5.841 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.673 -4.271 3.037 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.412 -3.550 4.016 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.524 -5.302 5.644 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.046 -5.899 5.015 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.696 -6.257 2.782 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.284 -6.140 3.812 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.349 -8.047 4.719 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.639 -7.497 2.921 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.134 -9.192 3.000 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.707 -10.221 4.817 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.189 -10.727 4.069 1.00 0.00 H new ATOM 442 N SER A 32 -2.263 -1.276 5.618 1.00 0.00 N ATOM 443 CA SER A 32 -1.852 0.124 5.618 1.00 0.00 C ATOM 444 C SER A 32 -0.368 0.254 5.289 1.00 0.00 C ATOM 445 O SER A 32 0.475 -0.412 5.892 1.00 0.00 O ATOM 446 CB SER A 32 -2.142 0.762 6.978 1.00 0.00 C ATOM 447 OG SER A 32 -1.552 0.017 8.028 1.00 0.00 O ATOM 0 H SER A 32 -1.908 -1.820 6.404 1.00 0.00 H new ATOM 0 HA SER A 32 -2.424 0.645 4.850 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.760 1.783 6.993 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.219 0.823 7.132 1.00 0.00 H new ATOM 0 HG SER A 32 -0.744 -0.429 7.699 1.00 0.00 H new ATOM 453 N CYS A 33 -0.055 1.117 4.328 1.00 0.00 N ATOM 454 CA CYS A 33 1.327 1.336 3.917 1.00 0.00 C ATOM 455 C CYS A 33 2.159 1.880 5.074 1.00 0.00 C ATOM 456 O CYS A 33 1.618 2.336 6.081 1.00 0.00 O ATOM 457 CB CYS A 33 1.381 2.306 2.735 1.00 0.00 C ATOM 458 SG CYS A 33 3.010 2.402 1.925 1.00 0.00 S ATOM 0 H CYS A 33 -0.740 1.676 3.819 1.00 0.00 H new ATOM 0 HA CYS A 33 1.746 0.377 3.611 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.638 2.004 1.997 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.101 3.301 3.082 1.00 0.00 H new ATOM 463 N SER A 34 3.479 1.829 4.921 1.00 0.00 N ATOM 464 CA SER A 34 4.387 2.313 5.955 1.00 0.00 C ATOM 465 C SER A 34 5.017 3.641 5.545 1.00 0.00 C ATOM 466 O SER A 34 5.356 4.467 6.392 1.00 0.00 O ATOM 467 CB SER A 34 5.481 1.279 6.227 1.00 0.00 C ATOM 468 OG SER A 34 5.053 0.325 7.183 1.00 0.00 O ATOM 0 H SER A 34 3.943 1.458 4.092 1.00 0.00 H new ATOM 0 HA SER A 34 3.811 2.470 6.867 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.748 0.774 5.299 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.379 1.781 6.586 1.00 0.00 H new ATOM 0 HG SER A 34 4.747 -0.484 6.723 1.00 0.00 H new ATOM 474 N ASN A 35 5.170 3.839 4.240 1.00 0.00 N ATOM 475 CA ASN A 35 5.760 5.065 3.716 1.00 0.00 C ATOM 476 C ASN A 35 4.698 6.146 3.537 1.00 0.00 C ATOM 477 O ASN A 35 4.637 7.106 4.306 1.00 0.00 O ATOM 478 CB ASN A 35 6.456 4.792 2.382 1.00 0.00 C ATOM 479 CG ASN A 35 7.012 6.054 1.750 1.00 0.00 C ATOM 480 OD1 ASN A 35 7.728 6.821 2.395 1.00 0.00 O ATOM 481 ND2 ASN A 35 6.682 6.276 0.483 1.00 0.00 N ATOM 0 H ASN A 35 4.893 3.166 3.526 1.00 0.00 H new ATOM 0 HA ASN A 35 6.497 5.420 4.436 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.266 4.080 2.537 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.749 4.326 1.695 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.025 7.110 0.005 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.086 5.613 -0.012 1.00 0.00 H new ATOM 488 N CYS A 36 3.862 5.983 2.517 1.00 0.00 N ATOM 489 CA CYS A 36 2.802 6.943 2.235 1.00 0.00 C ATOM 490 C CYS A 36 1.739 6.917 3.330 1.00 0.00 C ATOM 491 O CYS A 36 1.181 7.951 3.692 1.00 0.00 O ATOM 492 CB CYS A 36 2.161 6.643 0.879 1.00 0.00 C ATOM 493 SG CYS A 36 1.102 5.161 0.869 1.00 0.00 S ATOM 0 H CYS A 36 3.898 5.194 1.871 1.00 0.00 H new ATOM 0 HA CYS A 36 3.245 7.938 2.207 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.566 7.503 0.572 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.949 6.518 0.136 1.00 0.00 H new ATOM 498 N GLY A 37 1.465 5.725 3.852 1.00 0.00 N ATOM 499 CA GLY A 37 0.471 5.586 4.900 1.00 0.00 C ATOM 500 C GLY A 37 -0.943 5.547 4.356 1.00 0.00 C ATOM 501 O GLY A 37 -1.860 6.112 4.951 1.00 0.00 O ATOM 0 H GLY A 37 1.913 4.854 3.568 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.666 4.673 5.463 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.565 6.417 5.599 1.00 0.00 H new ATOM 505 N ASN A 38 -1.120 4.879 3.220 1.00 0.00 N ATOM 506 CA ASN A 38 -2.433 4.771 2.594 1.00 0.00 C ATOM 507 C ASN A 38 -2.948 3.336 2.655 1.00 0.00 C ATOM 508 O ASN A 38 -2.253 2.436 3.127 1.00 0.00 O ATOM 509 CB ASN A 38 -2.368 5.240 1.139 1.00 0.00 C ATOM 510 CG ASN A 38 -1.684 6.586 0.996 1.00 0.00 C ATOM 511 OD1 ASN A 38 -1.675 7.392 1.926 1.00 0.00 O ATOM 512 ND2 ASN A 38 -1.109 6.836 -0.175 1.00 0.00 N ATOM 0 H ASN A 38 -0.371 4.405 2.715 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.124 5.410 3.144 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.834 4.499 0.545 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.378 5.304 0.735 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.635 7.726 -0.331 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -1.141 6.138 -0.918 1.00 0.00 H new ATOM 519 N SER A 39 -4.169 3.130 2.173 1.00 0.00 N ATOM 520 CA SER A 39 -4.779 1.806 2.175 1.00 0.00 C ATOM 521 C SER A 39 -4.381 1.023 0.928 1.00 0.00 C ATOM 522 O SER A 39 -4.236 1.590 -0.155 1.00 0.00 O ATOM 523 CB SER A 39 -6.303 1.923 2.254 1.00 0.00 C ATOM 524 OG SER A 39 -6.848 2.330 1.011 1.00 0.00 O ATOM 0 H SER A 39 -4.756 3.864 1.776 1.00 0.00 H new ATOM 0 HA SER A 39 -4.418 1.268 3.051 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.730 0.963 2.545 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.576 2.641 3.027 1.00 0.00 H new ATOM 0 HG SER A 39 -7.544 1.697 0.736 1.00 0.00 H new ATOM 530 N PHE A 40 -4.207 -0.285 1.089 1.00 0.00 N ATOM 531 CA PHE A 40 -3.825 -1.148 -0.023 1.00 0.00 C ATOM 532 C PHE A 40 -4.207 -2.598 0.257 1.00 0.00 C ATOM 533 O PHE A 40 -4.402 -2.989 1.409 1.00 0.00 O ATOM 534 CB PHE A 40 -2.321 -1.045 -0.282 1.00 0.00 C ATOM 535 CG PHE A 40 -1.894 0.292 -0.817 1.00 0.00 C ATOM 536 CD1 PHE A 40 -2.111 0.624 -2.144 1.00 0.00 C ATOM 537 CD2 PHE A 40 -1.275 1.217 0.009 1.00 0.00 C ATOM 538 CE1 PHE A 40 -1.720 1.854 -2.639 1.00 0.00 C ATOM 539 CE2 PHE A 40 -0.882 2.449 -0.481 1.00 0.00 C ATOM 540 CZ PHE A 40 -1.104 2.767 -1.806 1.00 0.00 C ATOM 0 H PHE A 40 -4.324 -0.770 1.978 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.363 -0.815 -0.910 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.786 -1.243 0.647 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.029 -1.821 -0.990 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.592 -0.087 -2.800 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.098 0.973 1.046 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.896 2.101 -3.676 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.402 3.162 0.173 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.796 3.728 -2.190 1.00 0.00 H new ATOM 550 N CYS A 41 -4.312 -3.392 -0.803 1.00 0.00 N ATOM 551 CA CYS A 41 -4.671 -4.799 -0.673 1.00 0.00 C ATOM 552 C CYS A 41 -3.450 -5.641 -0.318 1.00 0.00 C ATOM 553 O CYS A 41 -2.340 -5.123 -0.191 1.00 0.00 O ATOM 554 CB CYS A 41 -5.296 -5.309 -1.973 1.00 0.00 C ATOM 555 SG CYS A 41 -4.182 -5.238 -3.412 1.00 0.00 S ATOM 0 H CYS A 41 -4.153 -3.085 -1.763 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.399 -4.890 0.133 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.619 -6.340 -1.828 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.189 -4.722 -2.189 1.00 0.00 H new ATOM 560 N SER A 42 -3.662 -6.944 -0.159 1.00 0.00 N ATOM 561 CA SER A 42 -2.579 -7.859 0.184 1.00 0.00 C ATOM 562 C SER A 42 -1.718 -8.165 -1.037 1.00 0.00 C ATOM 563 O SER A 42 -0.758 -8.931 -0.957 1.00 0.00 O ATOM 564 CB SER A 42 -3.145 -9.157 0.762 1.00 0.00 C ATOM 565 OG SER A 42 -3.575 -10.030 -0.268 1.00 0.00 O ATOM 0 H SER A 42 -4.574 -7.390 -0.262 1.00 0.00 H new ATOM 0 HA SER A 42 -1.953 -7.377 0.935 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.385 -9.651 1.368 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.981 -8.930 1.423 1.00 0.00 H new ATOM 0 HG SER A 42 -3.931 -10.853 0.128 1.00 0.00 H new ATOM 571 N ARG A 43 -2.070 -7.561 -2.168 1.00 0.00 N ATOM 572 CA ARG A 43 -1.331 -7.769 -3.407 1.00 0.00 C ATOM 573 C ARG A 43 -0.451 -6.564 -3.725 1.00 0.00 C ATOM 574 O ARG A 43 0.614 -6.700 -4.327 1.00 0.00 O ATOM 575 CB ARG A 43 -2.297 -8.028 -4.564 1.00 0.00 C ATOM 576 CG ARG A 43 -1.710 -8.897 -5.665 1.00 0.00 C ATOM 577 CD ARG A 43 -1.045 -8.056 -6.743 1.00 0.00 C ATOM 578 NE ARG A 43 0.376 -7.848 -6.477 1.00 0.00 N ATOM 579 CZ ARG A 43 1.309 -8.764 -6.711 1.00 0.00 C ATOM 580 NH1 ARG A 43 0.973 -9.944 -7.214 1.00 0.00 N ATOM 581 NH2 ARG A 43 2.581 -8.501 -6.442 1.00 0.00 N ATOM 0 H ARG A 43 -2.862 -6.924 -2.251 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.689 -8.640 -3.276 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.196 -8.507 -4.175 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.603 -7.073 -4.991 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.981 -9.585 -5.237 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.498 -9.504 -6.110 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.165 -8.545 -7.710 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.546 -7.090 -6.810 1.00 0.00 H new ATOM 0 HE ARG A 43 0.668 -6.950 -6.090 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.004 -10.150 -7.422 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.692 -10.646 -7.393 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.844 -7.595 -6.055 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.297 -9.205 -6.622 1.00 0.00 H new ATOM 595 N CYS A 44 -0.904 -5.383 -3.316 1.00 0.00 N ATOM 596 CA CYS A 44 -0.160 -4.153 -3.557 1.00 0.00 C ATOM 597 C CYS A 44 0.768 -3.840 -2.387 1.00 0.00 C ATOM 598 O CYS A 44 1.855 -3.291 -2.574 1.00 0.00 O ATOM 599 CB CYS A 44 -1.124 -2.986 -3.784 1.00 0.00 C ATOM 600 SG CYS A 44 -2.063 -3.089 -5.341 1.00 0.00 S ATOM 0 H CYS A 44 -1.783 -5.252 -2.816 1.00 0.00 H new ATOM 0 HA CYS A 44 0.447 -4.294 -4.451 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.826 -2.941 -2.951 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.558 -2.054 -3.774 1.00 0.00 H new ATOM 605 N CYS A 45 0.333 -4.195 -1.183 1.00 0.00 N ATOM 606 CA CYS A 45 1.125 -3.952 0.017 1.00 0.00 C ATOM 607 C CYS A 45 1.925 -5.193 0.401 1.00 0.00 C ATOM 608 O CYS A 45 2.043 -5.528 1.580 1.00 0.00 O ATOM 609 CB CYS A 45 0.218 -3.537 1.176 1.00 0.00 C ATOM 610 SG CYS A 45 1.108 -3.048 2.672 1.00 0.00 S ATOM 0 H CYS A 45 -0.563 -4.652 -1.012 1.00 0.00 H new ATOM 0 HA CYS A 45 1.824 -3.143 -0.196 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.410 -2.707 0.852 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.448 -4.366 1.417 1.00 0.00 H new ATOM 0 HG CYS A 45 1.980 -3.963 2.977 1.00 0.00 H new ATOM 616 N SER A 46 2.472 -5.871 -0.602 1.00 0.00 N ATOM 617 CA SER A 46 3.256 -7.079 -0.371 1.00 0.00 C ATOM 618 C SER A 46 4.721 -6.853 -0.734 1.00 0.00 C ATOM 619 O SER A 46 5.426 -7.784 -1.125 1.00 0.00 O ATOM 620 CB SER A 46 2.691 -8.244 -1.185 1.00 0.00 C ATOM 621 OG SER A 46 3.020 -9.488 -0.591 1.00 0.00 O ATOM 0 H SER A 46 2.387 -5.605 -1.583 1.00 0.00 H new ATOM 0 HA SER A 46 3.195 -7.324 0.689 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.608 -8.148 -1.259 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.085 -8.207 -2.201 1.00 0.00 H new ATOM 0 HG SER A 46 3.993 -9.560 -0.500 1.00 0.00 H new ATOM 627 N PHE A 47 5.172 -5.610 -0.603 1.00 0.00 N ATOM 628 CA PHE A 47 6.552 -5.260 -0.918 1.00 0.00 C ATOM 629 C PHE A 47 7.277 -4.736 0.318 1.00 0.00 C ATOM 630 O PHE A 47 6.852 -3.758 0.933 1.00 0.00 O ATOM 631 CB PHE A 47 6.593 -4.209 -2.030 1.00 0.00 C ATOM 632 CG PHE A 47 6.084 -4.714 -3.350 1.00 0.00 C ATOM 633 CD1 PHE A 47 4.741 -4.612 -3.674 1.00 0.00 C ATOM 634 CD2 PHE A 47 6.949 -5.289 -4.267 1.00 0.00 C ATOM 635 CE1 PHE A 47 4.269 -5.075 -4.889 1.00 0.00 C ATOM 636 CE2 PHE A 47 6.483 -5.753 -5.483 1.00 0.00 C ATOM 637 CZ PHE A 47 5.142 -5.647 -5.793 1.00 0.00 C ATOM 0 H PHE A 47 4.602 -4.828 -0.281 1.00 0.00 H new ATOM 0 HA PHE A 47 7.059 -6.162 -1.260 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.999 -3.347 -1.726 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.619 -3.862 -2.154 1.00 0.00 H new ATOM 0 HD1 PHE A 47 4.054 -4.166 -2.970 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.999 -5.376 -4.029 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.220 -4.989 -5.130 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.168 -6.198 -6.190 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.776 -6.011 -6.742 1.00 0.00 H new ATOM 647 N LYS A 48 8.373 -5.396 0.678 1.00 0.00 N ATOM 648 CA LYS A 48 9.158 -4.999 1.840 1.00 0.00 C ATOM 649 C LYS A 48 10.295 -4.066 1.435 1.00 0.00 C ATOM 650 O LYS A 48 11.001 -4.318 0.459 1.00 0.00 O ATOM 651 CB LYS A 48 9.725 -6.234 2.545 1.00 0.00 C ATOM 652 CG LYS A 48 8.707 -6.963 3.405 1.00 0.00 C ATOM 653 CD LYS A 48 9.367 -7.642 4.593 1.00 0.00 C ATOM 654 CE LYS A 48 10.386 -8.679 4.147 1.00 0.00 C ATOM 655 NZ LYS A 48 10.595 -9.732 5.179 1.00 0.00 N ATOM 0 H LYS A 48 8.737 -6.209 0.181 1.00 0.00 H new ATOM 0 HA LYS A 48 8.500 -4.466 2.527 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.115 -6.923 1.796 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.566 -5.932 3.169 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.956 -6.257 3.759 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.186 -7.707 2.802 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.857 -6.893 5.215 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.606 -8.120 5.209 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.051 -9.142 3.219 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.335 -8.187 3.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.296 -10.419 4.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.940 -9.294 6.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.695 -10.219 5.365 1.00 0.00 H new ATOM 669 N VAL A 49 10.468 -2.987 2.193 1.00 0.00 N ATOM 670 CA VAL A 49 11.521 -2.018 1.914 1.00 0.00 C ATOM 671 C VAL A 49 12.145 -1.498 3.204 1.00 0.00 C ATOM 672 O VAL A 49 11.507 -1.451 4.256 1.00 0.00 O ATOM 673 CB VAL A 49 10.985 -0.826 1.099 1.00 0.00 C ATOM 674 CG1 VAL A 49 10.447 -1.295 -0.244 1.00 0.00 C ATOM 675 CG2 VAL A 49 9.912 -0.084 1.883 1.00 0.00 C ATOM 0 H VAL A 49 9.892 -2.762 3.005 1.00 0.00 H new ATOM 0 HA VAL A 49 12.281 -2.536 1.329 1.00 0.00 H new ATOM 0 HB VAL A 49 11.809 -0.137 0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 49 10.073 -0.439 -0.805 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.246 -1.777 -0.808 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.636 -2.006 -0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.544 0.755 1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.087 -0.762 2.102 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.335 0.287 2.817 1.00 0.00 H new ATOM 685 N PRO A 50 13.422 -1.097 3.124 1.00 0.00 N ATOM 686 CA PRO A 50 14.160 -0.572 4.277 1.00 0.00 C ATOM 687 C PRO A 50 13.655 0.799 4.713 1.00 0.00 C ATOM 688 O PRO A 50 13.486 1.701 3.892 1.00 0.00 O ATOM 689 CB PRO A 50 15.598 -0.472 3.761 1.00 0.00 C ATOM 690 CG PRO A 50 15.462 -0.330 2.284 1.00 0.00 C ATOM 691 CD PRO A 50 14.244 -1.125 1.903 1.00 0.00 C ATOM 0 HA PRO A 50 14.050 -1.208 5.155 1.00 0.00 H new ATOM 0 HB2 PRO A 50 16.116 0.384 4.195 1.00 0.00 H new ATOM 0 HB3 PRO A 50 16.175 -1.359 4.022 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.349 0.717 2.001 1.00 0.00 H new ATOM 0 HG3 PRO A 50 16.349 -0.705 1.772 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.722 -0.679 1.057 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.503 -2.144 1.616 1.00 0.00 H new ATOM 699 N LYS A 51 13.415 0.950 6.012 1.00 0.00 N ATOM 700 CA LYS A 51 12.931 2.211 6.559 1.00 0.00 C ATOM 701 C LYS A 51 14.092 3.147 6.880 1.00 0.00 C ATOM 702 O LYS A 51 14.031 3.923 7.834 1.00 0.00 O ATOM 703 CB LYS A 51 12.102 1.959 7.820 1.00 0.00 C ATOM 704 CG LYS A 51 12.800 1.075 8.840 1.00 0.00 C ATOM 705 CD LYS A 51 12.340 1.386 10.255 1.00 0.00 C ATOM 706 CE LYS A 51 11.066 0.632 10.604 1.00 0.00 C ATOM 707 NZ LYS A 51 10.850 0.561 12.076 1.00 0.00 N ATOM 0 H LYS A 51 13.548 0.214 6.705 1.00 0.00 H new ATOM 0 HA LYS A 51 12.302 2.686 5.807 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.862 2.916 8.284 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.157 1.496 7.537 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.600 0.028 8.613 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.878 1.216 8.768 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.127 1.120 10.961 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.169 2.458 10.356 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.213 1.123 10.135 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.117 -0.377 10.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.321 -0.304 12.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.770 0.545 12.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.308 1.392 12.388 1.00 0.00 H new ATOM 721 N SER A 52 15.148 3.070 6.077 1.00 0.00 N ATOM 722 CA SER A 52 16.324 3.908 6.277 1.00 0.00 C ATOM 723 C SER A 52 16.504 4.878 5.112 1.00 0.00 C ATOM 724 O SER A 52 16.813 6.053 5.311 1.00 0.00 O ATOM 725 CB SER A 52 17.574 3.041 6.432 1.00 0.00 C ATOM 726 OG SER A 52 18.752 3.823 6.334 1.00 0.00 O ATOM 0 H SER A 52 15.213 2.435 5.281 1.00 0.00 H new ATOM 0 HA SER A 52 16.177 4.486 7.189 1.00 0.00 H new ATOM 0 HB2 SER A 52 17.550 2.532 7.396 1.00 0.00 H new ATOM 0 HB3 SER A 52 17.582 2.268 5.664 1.00 0.00 H new ATOM 0 HG SER A 52 19.264 3.749 7.166 1.00 0.00 H new ATOM 732 N SER A 53 16.309 4.376 3.897 1.00 0.00 N ATOM 733 CA SER A 53 16.454 5.195 2.700 1.00 0.00 C ATOM 734 C SER A 53 15.384 6.282 2.652 1.00 0.00 C ATOM 735 O SER A 53 15.619 7.378 2.146 1.00 0.00 O ATOM 736 CB SER A 53 16.367 4.323 1.446 1.00 0.00 C ATOM 737 OG SER A 53 15.041 3.870 1.231 1.00 0.00 O ATOM 0 H SER A 53 16.050 3.406 3.716 1.00 0.00 H new ATOM 0 HA SER A 53 17.433 5.674 2.734 1.00 0.00 H new ATOM 0 HB2 SER A 53 16.705 4.891 0.580 1.00 0.00 H new ATOM 0 HB3 SER A 53 17.035 3.468 1.547 1.00 0.00 H new ATOM 0 HG SER A 53 15.011 3.316 0.423 1.00 0.00 H new ATOM 743 N MET A 54 14.207 5.968 3.184 1.00 0.00 N ATOM 744 CA MET A 54 13.100 6.918 3.204 1.00 0.00 C ATOM 745 C MET A 54 13.480 8.179 3.973 1.00 0.00 C ATOM 746 O MET A 54 13.642 8.150 5.192 1.00 0.00 O ATOM 747 CB MET A 54 11.861 6.277 3.833 1.00 0.00 C ATOM 748 CG MET A 54 11.056 5.430 2.861 1.00 0.00 C ATOM 749 SD MET A 54 11.761 3.788 2.620 1.00 0.00 S ATOM 750 CE MET A 54 10.727 2.812 3.708 1.00 0.00 C ATOM 0 H MET A 54 13.995 5.064 3.607 1.00 0.00 H new ATOM 0 HA MET A 54 12.874 7.196 2.175 1.00 0.00 H new ATOM 0 HB2 MET A 54 12.170 5.656 4.674 1.00 0.00 H new ATOM 0 HB3 MET A 54 11.220 7.062 4.235 1.00 0.00 H new ATOM 0 HG2 MET A 54 10.035 5.332 3.230 1.00 0.00 H new ATOM 0 HG3 MET A 54 11.000 5.941 1.900 1.00 0.00 H new ATOM 0 HE1 MET A 54 11.241 1.885 3.963 1.00 0.00 H new ATOM 0 HE2 MET A 54 10.522 3.376 4.618 1.00 0.00 H new ATOM 0 HE3 MET A 54 9.788 2.580 3.206 1.00 0.00 H new ATOM 760 N GLY A 55 13.622 9.287 3.251 1.00 0.00 N ATOM 761 CA GLY A 55 13.982 10.543 3.882 1.00 0.00 C ATOM 762 C GLY A 55 15.019 10.367 4.974 1.00 0.00 C ATOM 763 O GLY A 55 16.003 9.650 4.794 1.00 0.00 O ATOM 0 H GLY A 55 13.494 9.337 2.240 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.367 11.228 3.127 1.00 0.00 H new ATOM 0 HA3 GLY A 55 13.089 11.003 4.304 1.00 0.00 H new ATOM 767 N ALA A 56 14.799 11.023 6.108 1.00 0.00 N ATOM 768 CA ALA A 56 15.723 10.935 7.233 1.00 0.00 C ATOM 769 C ALA A 56 15.596 9.591 7.943 1.00 0.00 C ATOM 770 O ALA A 56 14.614 8.871 7.762 1.00 0.00 O ATOM 771 CB ALA A 56 15.476 12.076 8.209 1.00 0.00 C ATOM 0 H ALA A 56 13.989 11.621 6.273 1.00 0.00 H new ATOM 0 HA ALA A 56 16.738 11.017 6.845 1.00 0.00 H new ATOM 0 HB1 ALA A 56 16.173 11.998 9.044 1.00 0.00 H new ATOM 0 HB2 ALA A 56 15.624 13.029 7.700 1.00 0.00 H new ATOM 0 HB3 ALA A 56 14.454 12.020 8.583 1.00 0.00 H new ATOM 777 N THR A 57 16.597 9.258 8.752 1.00 0.00 N ATOM 778 CA THR A 57 16.598 8.001 9.489 1.00 0.00 C ATOM 779 C THR A 57 17.227 8.171 10.867 1.00 0.00 C ATOM 780 O THR A 57 18.190 8.919 11.032 1.00 0.00 O ATOM 781 CB THR A 57 17.359 6.902 8.723 1.00 0.00 C ATOM 782 OG1 THR A 57 17.318 5.674 9.458 1.00 0.00 O ATOM 783 CG2 THR A 57 18.806 7.310 8.487 1.00 0.00 C ATOM 0 H THR A 57 17.418 9.842 8.913 1.00 0.00 H new ATOM 0 HA THR A 57 15.556 7.701 9.603 1.00 0.00 H new ATOM 0 HB THR A 57 16.875 6.762 7.756 1.00 0.00 H new ATOM 0 HG1 THR A 57 18.049 5.092 9.163 1.00 0.00 H new ATOM 0 HG21 THR A 57 19.323 6.519 7.945 1.00 0.00 H new ATOM 0 HG22 THR A 57 18.834 8.229 7.902 1.00 0.00 H new ATOM 0 HG23 THR A 57 19.298 7.475 9.445 1.00 0.00 H new ATOM 791 N ALA A 58 16.676 7.472 11.854 1.00 0.00 N ATOM 792 CA ALA A 58 17.184 7.545 13.218 1.00 0.00 C ATOM 793 C ALA A 58 18.435 6.688 13.384 1.00 0.00 C ATOM 794 O ALA A 58 18.756 5.847 12.544 1.00 0.00 O ATOM 795 CB ALA A 58 16.111 7.111 14.205 1.00 0.00 C ATOM 0 H ALA A 58 15.878 6.849 11.734 1.00 0.00 H new ATOM 0 HA ALA A 58 17.454 8.581 13.424 1.00 0.00 H new ATOM 0 HB1 ALA A 58 16.505 7.171 15.220 1.00 0.00 H new ATOM 0 HB2 ALA A 58 15.245 7.766 14.113 1.00 0.00 H new ATOM 0 HB3 ALA A 58 15.813 6.084 13.991 1.00 0.00 H new ATOM 801 N PRO A 59 19.160 6.906 14.491 1.00 0.00 N ATOM 802 CA PRO A 59 20.387 6.163 14.792 1.00 0.00 C ATOM 803 C PRO A 59 20.112 4.704 15.141 1.00 0.00 C ATOM 804 O PRO A 59 21.028 3.953 15.473 1.00 0.00 O ATOM 805 CB PRO A 59 20.961 6.903 16.003 1.00 0.00 C ATOM 806 CG PRO A 59 19.782 7.543 16.650 1.00 0.00 C ATOM 807 CD PRO A 59 18.836 7.893 15.535 1.00 0.00 C ATOM 0 HA PRO A 59 21.062 6.128 13.937 1.00 0.00 H new ATOM 0 HB2 PRO A 59 21.463 6.217 16.685 1.00 0.00 H new ATOM 0 HB3 PRO A 59 21.698 7.646 15.700 1.00 0.00 H new ATOM 0 HG2 PRO A 59 19.312 6.865 17.362 1.00 0.00 H new ATOM 0 HG3 PRO A 59 20.077 8.433 17.205 1.00 0.00 H new ATOM 0 HD2 PRO A 59 17.796 7.816 15.852 1.00 0.00 H new ATOM 0 HD3 PRO A 59 18.988 8.914 15.184 1.00 0.00 H new ATOM 815 N GLU A 60 18.844 4.311 15.063 1.00 0.00 N ATOM 816 CA GLU A 60 18.450 2.942 15.371 1.00 0.00 C ATOM 817 C GLU A 60 17.832 2.266 14.150 1.00 0.00 C ATOM 818 O GLU A 60 18.262 1.188 13.740 1.00 0.00 O ATOM 819 CB GLU A 60 17.457 2.923 16.535 1.00 0.00 C ATOM 820 CG GLU A 60 18.029 3.472 17.831 1.00 0.00 C ATOM 821 CD GLU A 60 17.238 3.034 19.049 1.00 0.00 C ATOM 822 OE1 GLU A 60 16.279 3.742 19.421 1.00 0.00 O ATOM 823 OE2 GLU A 60 17.580 1.983 19.631 1.00 0.00 O ATOM 0 H GLU A 60 18.074 4.921 14.789 1.00 0.00 H new ATOM 0 HA GLU A 60 19.345 2.389 15.657 1.00 0.00 H new ATOM 0 HB2 GLU A 60 16.577 3.505 16.261 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.123 1.899 16.700 1.00 0.00 H new ATOM 0 HG2 GLU A 60 19.063 3.143 17.936 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.044 4.561 17.785 1.00 0.00 H new ATOM 830 N ALA A 61 16.819 2.907 13.575 1.00 0.00 N ATOM 831 CA ALA A 61 16.143 2.370 12.401 1.00 0.00 C ATOM 832 C ALA A 61 17.061 2.383 11.184 1.00 0.00 C ATOM 833 O ALA A 61 17.035 3.319 10.386 1.00 0.00 O ATOM 834 CB ALA A 61 14.874 3.160 12.116 1.00 0.00 C ATOM 0 H ALA A 61 16.449 3.799 13.904 1.00 0.00 H new ATOM 0 HA ALA A 61 15.875 1.334 12.609 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.379 2.748 11.237 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.204 3.094 12.973 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.129 4.204 11.934 1.00 0.00 H new ATOM 840 N GLN A 62 17.873 1.339 11.050 1.00 0.00 N ATOM 841 CA GLN A 62 18.801 1.232 9.931 1.00 0.00 C ATOM 842 C GLN A 62 18.642 -0.107 9.218 1.00 0.00 C ATOM 843 O GLN A 62 18.502 -0.158 7.996 1.00 0.00 O ATOM 844 CB GLN A 62 20.242 1.396 10.417 1.00 0.00 C ATOM 845 CG GLN A 62 20.521 2.752 11.045 1.00 0.00 C ATOM 846 CD GLN A 62 20.604 3.864 10.018 1.00 0.00 C ATOM 847 OE1 GLN A 62 20.304 3.663 8.841 1.00 0.00 O ATOM 848 NE2 GLN A 62 21.014 5.048 10.460 1.00 0.00 N ATOM 0 H GLN A 62 17.907 0.556 11.702 1.00 0.00 H new ATOM 0 HA GLN A 62 18.571 2.029 9.224 1.00 0.00 H new ATOM 0 HB2 GLN A 62 20.462 0.615 11.145 1.00 0.00 H new ATOM 0 HB3 GLN A 62 20.919 1.248 9.576 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.735 2.984 11.764 1.00 0.00 H new ATOM 0 HG3 GLN A 62 21.457 2.705 11.601 1.00 0.00 H new ATOM 0 HE21 GLN A 62 21.253 5.170 11.444 1.00 0.00 H new ATOM 0 HE22 GLN A 62 21.090 5.835 9.815 1.00 0.00 H new ATOM 857 N ARG A 63 18.664 -1.189 9.989 1.00 0.00 N ATOM 858 CA ARG A 63 18.524 -2.529 9.431 1.00 0.00 C ATOM 859 C ARG A 63 17.116 -3.069 9.660 1.00 0.00 C ATOM 860 O ARG A 63 16.926 -4.267 9.862 1.00 0.00 O ATOM 861 CB ARG A 63 19.552 -3.474 10.055 1.00 0.00 C ATOM 862 CG ARG A 63 20.907 -3.442 9.366 1.00 0.00 C ATOM 863 CD ARG A 63 20.980 -4.456 8.235 1.00 0.00 C ATOM 864 NE ARG A 63 22.093 -4.186 7.329 1.00 0.00 N ATOM 865 CZ ARG A 63 22.051 -3.275 6.363 1.00 0.00 C ATOM 866 NH1 ARG A 63 20.956 -2.551 6.179 1.00 0.00 N ATOM 867 NH2 ARG A 63 23.105 -3.088 5.580 1.00 0.00 N ATOM 0 H ARG A 63 18.777 -1.164 11.002 1.00 0.00 H new ATOM 0 HA ARG A 63 18.701 -2.468 8.357 1.00 0.00 H new ATOM 0 HB2 ARG A 63 19.682 -3.213 11.105 1.00 0.00 H new ATOM 0 HB3 ARG A 63 19.163 -4.492 10.025 1.00 0.00 H new ATOM 0 HG2 ARG A 63 21.093 -2.443 8.973 1.00 0.00 H new ATOM 0 HG3 ARG A 63 21.692 -3.650 10.094 1.00 0.00 H new ATOM 0 HD2 ARG A 63 21.087 -5.457 8.652 1.00 0.00 H new ATOM 0 HD3 ARG A 63 20.045 -4.442 7.675 1.00 0.00 H new ATOM 0 HE ARG A 63 22.950 -4.727 7.444 1.00 0.00 H new ATOM 0 HH11 ARG A 63 20.144 -2.693 6.780 1.00 0.00 H new ATOM 0 HH12 ARG A 63 20.926 -1.852 5.437 1.00 0.00 H new ATOM 0 HH21 ARG A 63 23.949 -3.644 5.719 1.00 0.00 H new ATOM 0 HH22 ARG A 63 23.072 -2.388 4.839 1.00 0.00 H new ATOM 881 N GLU A 64 16.132 -2.175 9.629 1.00 0.00 N ATOM 882 CA GLU A 64 14.742 -2.562 9.834 1.00 0.00 C ATOM 883 C GLU A 64 13.990 -2.615 8.508 1.00 0.00 C ATOM 884 O GLU A 64 14.242 -1.816 7.605 1.00 0.00 O ATOM 885 CB GLU A 64 14.052 -1.583 10.786 1.00 0.00 C ATOM 886 CG GLU A 64 12.945 -2.215 11.613 1.00 0.00 C ATOM 887 CD GLU A 64 13.477 -3.153 12.680 1.00 0.00 C ATOM 888 OE1 GLU A 64 14.605 -3.661 12.514 1.00 0.00 O ATOM 889 OE2 GLU A 64 12.765 -3.377 13.680 1.00 0.00 O ATOM 0 H GLU A 64 16.272 -1.178 9.464 1.00 0.00 H new ATOM 0 HA GLU A 64 14.731 -3.558 10.277 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.797 -1.156 11.458 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.636 -0.759 10.207 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.356 -1.429 12.086 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.273 -2.764 10.954 1.00 0.00 H new ATOM 896 N THR A 65 13.064 -3.562 8.396 1.00 0.00 N ATOM 897 CA THR A 65 12.276 -3.721 7.180 1.00 0.00 C ATOM 898 C THR A 65 10.807 -3.398 7.431 1.00 0.00 C ATOM 899 O THR A 65 10.284 -3.640 8.519 1.00 0.00 O ATOM 900 CB THR A 65 12.386 -5.153 6.623 1.00 0.00 C ATOM 901 OG1 THR A 65 12.084 -6.103 7.650 1.00 0.00 O ATOM 902 CG2 THR A 65 13.782 -5.414 6.077 1.00 0.00 C ATOM 0 H THR A 65 12.841 -4.231 9.133 1.00 0.00 H new ATOM 0 HA THR A 65 12.680 -3.022 6.448 1.00 0.00 H new ATOM 0 HB THR A 65 11.669 -5.260 5.809 1.00 0.00 H new ATOM 0 HG1 THR A 65 12.155 -7.011 7.287 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.837 -6.431 5.689 1.00 0.00 H new ATOM 0 HG22 THR A 65 13.997 -4.708 5.275 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.514 -5.290 6.875 1.00 0.00 H new ATOM 910 N VAL A 66 10.145 -2.849 6.417 1.00 0.00 N ATOM 911 CA VAL A 66 8.736 -2.494 6.527 1.00 0.00 C ATOM 912 C VAL A 66 7.980 -2.841 5.249 1.00 0.00 C ATOM 913 O VAL A 66 8.583 -3.042 4.194 1.00 0.00 O ATOM 914 CB VAL A 66 8.556 -0.994 6.824 1.00 0.00 C ATOM 915 CG1 VAL A 66 9.258 -0.619 8.121 1.00 0.00 C ATOM 916 CG2 VAL A 66 9.075 -0.155 5.666 1.00 0.00 C ATOM 0 H VAL A 66 10.563 -2.641 5.510 1.00 0.00 H new ATOM 0 HA VAL A 66 8.329 -3.073 7.356 1.00 0.00 H new ATOM 0 HB VAL A 66 7.492 -0.790 6.942 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.120 0.445 8.315 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.835 -1.196 8.944 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.322 -0.837 8.035 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.940 0.902 5.893 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.135 -0.361 5.514 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.523 -0.405 4.760 1.00 0.00 H new ATOM 926 N PHE A 67 6.657 -2.910 5.350 1.00 0.00 N ATOM 927 CA PHE A 67 5.818 -3.233 4.202 1.00 0.00 C ATOM 928 C PHE A 67 5.217 -1.969 3.594 1.00 0.00 C ATOM 929 O PHE A 67 4.585 -1.172 4.288 1.00 0.00 O ATOM 930 CB PHE A 67 4.701 -4.194 4.614 1.00 0.00 C ATOM 931 CG PHE A 67 5.198 -5.555 5.012 1.00 0.00 C ATOM 932 CD1 PHE A 67 5.535 -6.492 4.049 1.00 0.00 C ATOM 933 CD2 PHE A 67 5.328 -5.896 6.349 1.00 0.00 C ATOM 934 CE1 PHE A 67 5.992 -7.745 4.413 1.00 0.00 C ATOM 935 CE2 PHE A 67 5.784 -7.147 6.718 1.00 0.00 C ATOM 936 CZ PHE A 67 6.118 -8.072 5.749 1.00 0.00 C ATOM 0 H PHE A 67 6.142 -2.746 6.215 1.00 0.00 H new ATOM 0 HA PHE A 67 6.444 -3.714 3.451 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.148 -3.760 5.447 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.000 -4.300 3.786 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.440 -6.241 3.003 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.070 -5.176 7.111 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.250 -8.468 3.653 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.879 -7.401 7.763 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.477 -9.050 6.035 1.00 0.00 H new ATOM 946 N VAL A 68 5.421 -1.791 2.292 1.00 0.00 N ATOM 947 CA VAL A 68 4.900 -0.625 1.589 1.00 0.00 C ATOM 948 C VAL A 68 4.046 -1.039 0.396 1.00 0.00 C ATOM 949 O VAL A 68 3.932 -2.224 0.081 1.00 0.00 O ATOM 950 CB VAL A 68 6.038 0.290 1.100 1.00 0.00 C ATOM 951 CG1 VAL A 68 6.895 0.749 2.269 1.00 0.00 C ATOM 952 CG2 VAL A 68 6.884 -0.424 0.056 1.00 0.00 C ATOM 0 H VAL A 68 5.943 -2.440 1.703 1.00 0.00 H new ATOM 0 HA VAL A 68 4.283 -0.076 2.300 1.00 0.00 H new ATOM 0 HB VAL A 68 5.597 1.172 0.636 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.694 1.394 1.903 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.278 1.301 2.978 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.329 -0.119 2.765 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.683 0.237 -0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.316 -1.325 0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.259 -0.697 -0.794 1.00 0.00 H new ATOM 962 N CYS A 69 3.448 -0.054 -0.266 1.00 0.00 N ATOM 963 CA CYS A 69 2.603 -0.314 -1.426 1.00 0.00 C ATOM 964 C CYS A 69 3.396 -0.161 -2.721 1.00 0.00 C ATOM 965 O CYS A 69 4.294 0.674 -2.816 1.00 0.00 O ATOM 966 CB CYS A 69 1.404 0.636 -1.433 1.00 0.00 C ATOM 967 SG CYS A 69 1.816 2.349 -1.897 1.00 0.00 S ATOM 0 H CYS A 69 3.533 0.932 -0.019 1.00 0.00 H new ATOM 0 HA CYS A 69 2.243 -1.341 -1.360 1.00 0.00 H new ATOM 0 HB2 CYS A 69 0.655 0.253 -2.126 1.00 0.00 H new ATOM 0 HB3 CYS A 69 0.950 0.638 -0.442 1.00 0.00 H new ATOM 972 N ALA A 70 3.056 -0.974 -3.716 1.00 0.00 N ATOM 973 CA ALA A 70 3.733 -0.928 -5.006 1.00 0.00 C ATOM 974 C ALA A 70 4.042 0.509 -5.412 1.00 0.00 C ATOM 975 O ALA A 70 5.200 0.868 -5.626 1.00 0.00 O ATOM 976 CB ALA A 70 2.887 -1.610 -6.071 1.00 0.00 C ATOM 0 H ALA A 70 2.315 -1.673 -3.653 1.00 0.00 H new ATOM 0 HA ALA A 70 4.678 -1.463 -4.912 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.405 -1.568 -7.029 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.722 -2.651 -5.793 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.927 -1.100 -6.155 1.00 0.00 H new ATOM 982 N SER A 71 2.999 1.326 -5.518 1.00 0.00 N ATOM 983 CA SER A 71 3.159 2.724 -5.904 1.00 0.00 C ATOM 984 C SER A 71 4.387 3.334 -5.236 1.00 0.00 C ATOM 985 O SER A 71 5.109 4.127 -5.842 1.00 0.00 O ATOM 986 CB SER A 71 1.910 3.524 -5.530 1.00 0.00 C ATOM 987 OG SER A 71 0.945 3.476 -6.566 1.00 0.00 O ATOM 0 H SER A 71 2.034 1.045 -5.342 1.00 0.00 H new ATOM 0 HA SER A 71 3.297 2.764 -6.984 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.481 3.126 -4.610 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.184 4.560 -5.331 1.00 0.00 H new ATOM 0 HG SER A 71 0.156 3.993 -6.302 1.00 0.00 H new ATOM 993 N CYS A 72 4.618 2.960 -3.982 1.00 0.00 N ATOM 994 CA CYS A 72 5.758 3.470 -3.229 1.00 0.00 C ATOM 995 C CYS A 72 7.015 2.658 -3.529 1.00 0.00 C ATOM 996 O CYS A 72 7.991 3.182 -4.063 1.00 0.00 O ATOM 997 CB CYS A 72 5.461 3.435 -1.728 1.00 0.00 C ATOM 998 SG CYS A 72 4.193 4.628 -1.193 1.00 0.00 S ATOM 0 H CYS A 72 4.031 2.305 -3.466 1.00 0.00 H new ATOM 0 HA CYS A 72 5.932 4.502 -3.534 1.00 0.00 H new ATOM 0 HB2 CYS A 72 5.137 2.430 -1.456 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.383 3.632 -1.181 1.00 0.00 H new ATOM 1003 N ASN A 73 6.982 1.376 -3.181 1.00 0.00 N ATOM 1004 CA ASN A 73 8.119 0.492 -3.412 1.00 0.00 C ATOM 1005 C ASN A 73 8.807 0.825 -4.732 1.00 0.00 C ATOM 1006 O ASN A 73 10.034 0.802 -4.826 1.00 0.00 O ATOM 1007 CB ASN A 73 7.663 -0.968 -3.416 1.00 0.00 C ATOM 1008 CG ASN A 73 8.805 -1.930 -3.683 1.00 0.00 C ATOM 1009 OD1 ASN A 73 9.370 -2.512 -2.757 1.00 0.00 O ATOM 1010 ND2 ASN A 73 9.150 -2.101 -4.954 1.00 0.00 N ATOM 0 H ASN A 73 6.181 0.926 -2.738 1.00 0.00 H new ATOM 0 HA ASN A 73 8.834 0.640 -2.603 1.00 0.00 H new ATOM 0 HB2 ASN A 73 7.208 -1.206 -2.455 1.00 0.00 H new ATOM 0 HB3 ASN A 73 6.893 -1.103 -4.175 1.00 0.00 H new ATOM 0 HD21 ASN A 73 9.911 -2.736 -5.195 1.00 0.00 H new ATOM 0 HD22 ASN A 73 8.654 -1.598 -5.689 1.00 0.00 H new ATOM 1017 N GLN A 74 8.008 1.135 -5.748 1.00 0.00 N ATOM 1018 CA GLN A 74 8.541 1.473 -7.063 1.00 0.00 C ATOM 1019 C GLN A 74 9.364 2.756 -7.003 1.00 0.00 C ATOM 1020 O GLN A 74 10.448 2.840 -7.582 1.00 0.00 O ATOM 1021 CB GLN A 74 7.403 1.629 -8.073 1.00 0.00 C ATOM 1022 CG GLN A 74 6.957 0.315 -8.694 1.00 0.00 C ATOM 1023 CD GLN A 74 6.831 -0.799 -7.675 1.00 0.00 C ATOM 1024 OE1 GLN A 74 7.827 -1.393 -7.260 1.00 0.00 O ATOM 1025 NE2 GLN A 74 5.602 -1.090 -7.265 1.00 0.00 N ATOM 0 H GLN A 74 6.990 1.159 -5.686 1.00 0.00 H new ATOM 0 HA GLN A 74 9.192 0.660 -7.384 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.551 2.095 -7.579 1.00 0.00 H new ATOM 0 HB3 GLN A 74 7.722 2.306 -8.865 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.997 0.459 -9.189 1.00 0.00 H new ATOM 0 HG3 GLN A 74 7.671 0.020 -9.463 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.805 -0.572 -7.635 1.00 0.00 H new ATOM 0 HE22 GLN A 74 5.455 -1.831 -6.580 1.00 0.00 H new ATOM 1034 N THR A 75 8.841 3.756 -6.300 1.00 0.00 N ATOM 1035 CA THR A 75 9.526 5.036 -6.166 1.00 0.00 C ATOM 1036 C THR A 75 10.768 4.906 -5.291 1.00 0.00 C ATOM 1037 O THR A 75 11.849 5.370 -5.657 1.00 0.00 O ATOM 1038 CB THR A 75 8.598 6.109 -5.565 1.00 0.00 C ATOM 1039 OG1 THR A 75 7.468 6.314 -6.420 1.00 0.00 O ATOM 1040 CG2 THR A 75 9.342 7.423 -5.377 1.00 0.00 C ATOM 0 H THR A 75 7.945 3.704 -5.815 1.00 0.00 H new ATOM 0 HA THR A 75 9.822 5.343 -7.169 1.00 0.00 H new ATOM 0 HB THR A 75 8.257 5.759 -4.591 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.782 5.643 -6.222 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.667 8.166 -4.952 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.185 7.271 -4.703 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.708 7.775 -6.342 1.00 0.00 H new ATOM 1048 N LEU A 76 10.607 4.274 -4.134 1.00 0.00 N ATOM 1049 CA LEU A 76 11.716 4.082 -3.206 1.00 0.00 C ATOM 1050 C LEU A 76 12.906 3.432 -3.906 1.00 0.00 C ATOM 1051 O LEU A 76 14.004 3.988 -3.930 1.00 0.00 O ATOM 1052 CB LEU A 76 11.274 3.220 -2.022 1.00 0.00 C ATOM 1053 CG LEU A 76 10.124 3.775 -1.181 1.00 0.00 C ATOM 1054 CD1 LEU A 76 9.648 2.737 -0.176 1.00 0.00 C ATOM 1055 CD2 LEU A 76 10.550 5.052 -0.471 1.00 0.00 C ATOM 0 H LEU A 76 9.719 3.886 -3.816 1.00 0.00 H new ATOM 0 HA LEU A 76 12.024 5.061 -2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.981 2.241 -2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 76 12.133 3.066 -1.370 1.00 0.00 H new ATOM 0 HG LEU A 76 9.294 4.013 -1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.829 3.150 0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 76 9.302 1.849 -0.706 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.471 2.467 0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.719 5.433 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.396 4.840 0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 76 10.841 5.799 -1.209 1.00 0.00 H new ATOM 1067 N SER A 77 12.678 2.254 -4.477 1.00 0.00 N ATOM 1068 CA SER A 77 13.731 1.527 -5.177 1.00 0.00 C ATOM 1069 C SER A 77 13.771 1.915 -6.652 1.00 0.00 C ATOM 1070 O SER A 77 13.950 1.065 -7.525 1.00 0.00 O ATOM 1071 CB SER A 77 13.517 0.019 -5.040 1.00 0.00 C ATOM 1072 OG SER A 77 13.786 -0.416 -3.718 1.00 0.00 O ATOM 0 H SER A 77 11.774 1.782 -4.469 1.00 0.00 H new ATOM 0 HA SER A 77 14.686 1.794 -4.723 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.490 -0.232 -5.307 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.166 -0.509 -5.739 1.00 0.00 H new ATOM 0 HG SER A 77 13.640 -1.383 -3.656 1.00 0.00 H new ATOM 1078 N LYS A 78 13.603 3.205 -6.923 1.00 0.00 N ATOM 1079 CA LYS A 78 13.620 3.708 -8.291 1.00 0.00 C ATOM 1080 C LYS A 78 15.025 4.147 -8.692 1.00 0.00 C ATOM 1081 O LYS A 78 15.609 3.607 -9.631 1.00 0.00 O ATOM 1082 CB LYS A 78 12.647 4.881 -8.437 1.00 0.00 C ATOM 1083 CG LYS A 78 12.118 5.060 -9.850 1.00 0.00 C ATOM 1084 CD LYS A 78 11.017 6.105 -9.904 1.00 0.00 C ATOM 1085 CE LYS A 78 11.567 7.506 -9.685 1.00 0.00 C ATOM 1086 NZ LYS A 78 12.396 7.963 -10.834 1.00 0.00 N ATOM 0 H LYS A 78 13.453 3.921 -6.212 1.00 0.00 H new ATOM 0 HA LYS A 78 13.308 2.900 -8.953 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.806 4.731 -7.759 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.147 5.798 -8.126 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.934 5.355 -10.510 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.736 4.108 -10.220 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.515 6.057 -10.871 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.267 5.885 -9.144 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.741 8.201 -9.534 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.167 7.522 -8.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.554 8.988 -10.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.311 7.470 -10.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.902 7.751 -11.724 1.00 0.00 H new ATOM 1100 N SER A 79 15.561 5.128 -7.973 1.00 0.00 N ATOM 1101 CA SER A 79 16.897 5.640 -8.256 1.00 0.00 C ATOM 1102 C SER A 79 17.143 5.716 -9.760 1.00 0.00 C ATOM 1103 O SER A 79 18.238 5.421 -10.237 1.00 0.00 O ATOM 1104 CB SER A 79 17.956 4.753 -7.598 1.00 0.00 C ATOM 1105 OG SER A 79 17.688 4.576 -6.218 1.00 0.00 O ATOM 0 H SER A 79 15.091 5.584 -7.191 1.00 0.00 H new ATOM 0 HA SER A 79 16.969 6.646 -7.843 1.00 0.00 H new ATOM 0 HB2 SER A 79 17.981 3.783 -8.094 1.00 0.00 H new ATOM 0 HB3 SER A 79 18.941 5.202 -7.726 1.00 0.00 H new ATOM 0 HG SER A 79 18.378 4.004 -5.821 1.00 0.00 H new ATOM 1111 N GLY A 80 16.114 6.113 -10.502 1.00 0.00 N ATOM 1112 CA GLY A 80 16.237 6.221 -11.944 1.00 0.00 C ATOM 1113 C GLY A 80 16.712 7.591 -12.385 1.00 0.00 C ATOM 1114 O GLY A 80 17.675 8.140 -11.849 1.00 0.00 O ATOM 0 H GLY A 80 15.197 6.362 -10.130 1.00 0.00 H new ATOM 0 HA2 GLY A 80 16.935 5.465 -12.304 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.272 6.009 -12.405 1.00 0.00 H new ATOM 1118 N PRO A 81 16.028 8.165 -13.385 1.00 0.00 N ATOM 1119 CA PRO A 81 16.368 9.487 -13.921 1.00 0.00 C ATOM 1120 C PRO A 81 16.059 10.608 -12.935 1.00 0.00 C ATOM 1121 O PRO A 81 15.248 10.442 -12.024 1.00 0.00 O ATOM 1122 CB PRO A 81 15.480 9.606 -15.162 1.00 0.00 C ATOM 1123 CG PRO A 81 14.324 8.707 -14.888 1.00 0.00 C ATOM 1124 CD PRO A 81 14.869 7.569 -14.070 1.00 0.00 C ATOM 0 HA PRO A 81 17.433 9.580 -14.132 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.154 10.634 -15.318 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.014 9.301 -16.062 1.00 0.00 H new ATOM 0 HG2 PRO A 81 13.539 9.235 -14.347 1.00 0.00 H new ATOM 0 HG3 PRO A 81 13.883 8.344 -15.817 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.131 7.195 -13.360 1.00 0.00 H new ATOM 0 HD3 PRO A 81 15.162 6.727 -14.698 1.00 0.00 H new ATOM 1132 N SER A 82 16.711 11.751 -13.123 1.00 0.00 N ATOM 1133 CA SER A 82 16.509 12.900 -12.248 1.00 0.00 C ATOM 1134 C SER A 82 16.770 12.527 -10.792 1.00 0.00 C ATOM 1135 O SER A 82 16.043 12.946 -9.892 1.00 0.00 O ATOM 1136 CB SER A 82 15.085 13.439 -12.401 1.00 0.00 C ATOM 1137 OG SER A 82 14.922 14.655 -11.691 1.00 0.00 O ATOM 0 H SER A 82 17.384 11.906 -13.874 1.00 0.00 H new ATOM 0 HA SER A 82 17.217 13.676 -12.538 1.00 0.00 H new ATOM 0 HB2 SER A 82 14.864 13.598 -13.457 1.00 0.00 H new ATOM 0 HB3 SER A 82 14.372 12.701 -12.034 1.00 0.00 H new ATOM 0 HG SER A 82 15.174 14.522 -10.753 1.00 0.00 H new ATOM 1143 N SER A 83 17.815 11.735 -10.569 1.00 0.00 N ATOM 1144 CA SER A 83 18.172 11.301 -9.224 1.00 0.00 C ATOM 1145 C SER A 83 19.425 12.021 -8.735 1.00 0.00 C ATOM 1146 O SER A 83 20.546 11.579 -8.988 1.00 0.00 O ATOM 1147 CB SER A 83 18.394 9.788 -9.196 1.00 0.00 C ATOM 1148 OG SER A 83 19.422 9.407 -10.093 1.00 0.00 O ATOM 0 H SER A 83 18.429 11.381 -11.303 1.00 0.00 H new ATOM 0 HA SER A 83 17.347 11.552 -8.557 1.00 0.00 H new ATOM 0 HB2 SER A 83 18.654 9.474 -8.185 1.00 0.00 H new ATOM 0 HB3 SER A 83 17.468 9.277 -9.460 1.00 0.00 H new ATOM 0 HG SER A 83 19.034 8.913 -10.845 1.00 0.00 H new ATOM 1154 N GLY A 84 19.227 13.133 -8.034 1.00 0.00 N ATOM 1155 CA GLY A 84 20.349 13.896 -7.521 1.00 0.00 C ATOM 1156 C GLY A 84 19.955 15.301 -7.111 1.00 0.00 C ATOM 1157 O GLY A 84 18.809 15.511 -6.718 1.00 0.00 O ATOM 0 H GLY A 84 18.309 13.519 -7.812 1.00 0.00 H new ATOM 0 HA2 GLY A 84 20.776 13.377 -6.663 1.00 0.00 H new ATOM 0 HA3 GLY A 84 21.128 13.948 -8.282 1.00 0.00 H new TER 1161 GLY A 84 HETATM 1162 ZN ZN A 201 -4.259 -3.205 -4.584 1.00 0.00 ZN HETATM 1163 ZN ZN A 401 2.505 3.545 -0.037 1.00 0.00 ZN