USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 462 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 20 TYR OH : rot -107:sc= 0.0411 USER MOD Set 1.2: A 62 ASN : amide:sc= -3.31! C(o=-3.3!,f=-3!) USER MOD Set 2.1: A 6 SER OG : rot -174:sc= 0.0263 USER MOD Set 2.2: A 51 LYS NZ :NH3+ 155:sc= -1.81! (180deg=-2.79!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= -1.38! (180deg=-1.9!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 35:sc= 0.0373 USER MOD Single : A 10 THR OG1 : rot 88:sc= -0.787! USER MOD Single : A 11 ASN : amide:sc= -2.91! C(o=-2.9!,f=-6.8!) USER MOD Single : A 25 GLN : amide:sc= -1.16 K(o=-1.2,f=-5.4!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 30 SER OG : rot -46:sc= 0.226! USER MOD Single : A 32 TYR OH : rot 97:sc= -0.555 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -123:sc= -6.65! (180deg=-9.35!) USER MOD Single : A 49 ASN : amide:sc= -10.3! C(o=-10!,f=-24!) USER MOD Single : A 54 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= -0.116 USER MOD Single : A 65 HIS : no HE2:sc= -7.98! C(o=-8!,f=-9.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.470 -1.112 -0.836 1.00 0.00 N ATOM 2 CA MET A 1 5.101 -1.697 -0.745 1.00 0.00 C ATOM 3 C MET A 1 5.163 -3.178 -1.098 1.00 0.00 C ATOM 4 O MET A 1 6.225 -3.797 -1.036 1.00 0.00 O ATOM 5 CB MET A 1 4.172 -0.964 -1.716 1.00 0.00 C ATOM 6 CG MET A 1 5.008 -0.187 -2.735 1.00 0.00 C ATOM 7 SD MET A 1 4.928 -1.018 -4.341 1.00 0.00 S ATOM 8 CE MET A 1 6.336 -0.177 -5.105 1.00 0.00 C ATOM 0 H1 MET A 1 6.418 -0.083 -0.696 1.00 0.00 H new ATOM 0 H2 MET A 1 7.076 -1.531 -0.102 1.00 0.00 H new ATOM 0 H3 MET A 1 6.872 -1.314 -1.774 1.00 0.00 H new ATOM 0 HA MET A 1 4.716 -1.587 0.269 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.527 -1.678 -2.228 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.521 -0.282 -1.168 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.637 0.834 -2.823 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.043 -0.122 -2.398 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.471 -0.545 -6.122 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.149 0.897 -5.129 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.237 -0.376 -4.525 1.00 0.00 H new ATOM 16 N THR A 2 4.016 -3.742 -1.467 1.00 0.00 N ATOM 17 CA THR A 2 3.950 -5.154 -1.827 1.00 0.00 C ATOM 18 C THR A 2 3.577 -5.309 -3.299 1.00 0.00 C ATOM 19 O THR A 2 2.608 -4.713 -3.769 1.00 0.00 O ATOM 20 CB THR A 2 2.910 -5.864 -0.957 1.00 0.00 C ATOM 21 OG1 THR A 2 3.282 -5.747 0.409 1.00 0.00 O ATOM 22 CG2 THR A 2 2.840 -7.342 -1.342 1.00 0.00 C ATOM 0 H THR A 2 3.126 -3.247 -1.524 1.00 0.00 H new ATOM 0 HA THR A 2 4.929 -5.603 -1.661 1.00 0.00 H new ATOM 0 HB THR A 2 1.933 -5.405 -1.111 1.00 0.00 H new ATOM 0 HG1 THR A 2 2.617 -6.199 0.969 1.00 0.00 H new ATOM 0 HG21 THR A 2 2.099 -7.845 -0.721 1.00 0.00 H new ATOM 0 HG22 THR A 2 2.556 -7.432 -2.391 1.00 0.00 H new ATOM 0 HG23 THR A 2 3.815 -7.804 -1.189 1.00 0.00 H new ATOM 30 N THR A 3 4.354 -6.109 -4.021 1.00 0.00 N ATOM 31 CA THR A 3 4.095 -6.328 -5.439 1.00 0.00 C ATOM 32 C THR A 3 3.812 -7.795 -5.719 1.00 0.00 C ATOM 33 O THR A 3 4.567 -8.675 -5.310 1.00 0.00 O ATOM 34 CB THR A 3 5.297 -5.870 -6.268 1.00 0.00 C ATOM 35 OG1 THR A 3 5.519 -4.484 -6.049 1.00 0.00 O ATOM 36 CG2 THR A 3 5.021 -6.120 -7.751 1.00 0.00 C ATOM 0 H THR A 3 5.161 -6.612 -3.652 1.00 0.00 H new ATOM 0 HA THR A 3 3.217 -5.745 -5.718 1.00 0.00 H new ATOM 0 HB THR A 3 6.182 -6.431 -5.968 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.290 -4.189 -6.578 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.878 -5.793 -8.341 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.852 -7.184 -7.915 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.136 -5.561 -8.056 1.00 0.00 H new ATOM 44 N PHE A 4 2.714 -8.053 -6.419 1.00 0.00 N ATOM 45 CA PHE A 4 2.331 -9.417 -6.749 1.00 0.00 C ATOM 46 C PHE A 4 2.748 -9.756 -8.172 1.00 0.00 C ATOM 47 O PHE A 4 2.582 -8.951 -9.088 1.00 0.00 O ATOM 48 CB PHE A 4 0.817 -9.572 -6.610 1.00 0.00 C ATOM 49 CG PHE A 4 0.415 -9.359 -5.169 1.00 0.00 C ATOM 50 CD1 PHE A 4 0.029 -8.086 -4.732 1.00 0.00 C ATOM 51 CD2 PHE A 4 0.426 -10.434 -4.271 1.00 0.00 C ATOM 52 CE1 PHE A 4 -0.345 -7.888 -3.397 1.00 0.00 C ATOM 53 CE2 PHE A 4 0.050 -10.235 -2.937 1.00 0.00 C ATOM 54 CZ PHE A 4 -0.335 -8.962 -2.500 1.00 0.00 C ATOM 0 H PHE A 4 2.076 -7.337 -6.767 1.00 0.00 H new ATOM 0 HA PHE A 4 2.834 -10.098 -6.063 1.00 0.00 H new ATOM 0 HB2 PHE A 4 0.307 -8.852 -7.250 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.511 -10.565 -6.940 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.020 -7.257 -5.424 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.724 -11.416 -4.607 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -0.641 -6.906 -3.060 1.00 0.00 H new ATOM 0 HE2 PHE A 4 0.057 -11.064 -2.245 1.00 0.00 H new ATOM 0 HZ PHE A 4 -0.624 -8.809 -1.471 1.00 0.00 H new ATOM 64 N THR A 5 3.298 -10.951 -8.348 1.00 0.00 N ATOM 65 CA THR A 5 3.744 -11.385 -9.662 1.00 0.00 C ATOM 66 C THR A 5 3.243 -12.793 -9.969 1.00 0.00 C ATOM 67 O THR A 5 2.883 -13.547 -9.065 1.00 0.00 O ATOM 68 CB THR A 5 5.271 -11.364 -9.716 1.00 0.00 C ATOM 69 OG1 THR A 5 5.790 -12.283 -8.765 1.00 0.00 O ATOM 70 CG2 THR A 5 5.776 -9.956 -9.398 1.00 0.00 C ATOM 0 H THR A 5 3.444 -11.631 -7.602 1.00 0.00 H new ATOM 0 HA THR A 5 3.337 -10.702 -10.408 1.00 0.00 H new ATOM 0 HB THR A 5 5.603 -11.649 -10.714 1.00 0.00 H new ATOM 0 HG1 THR A 5 6.769 -12.272 -8.800 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.865 -9.943 -9.437 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.378 -9.253 -10.130 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.445 -9.667 -8.400 1.00 0.00 H new ATOM 78 N SER A 6 3.229 -13.141 -11.252 1.00 0.00 N ATOM 79 CA SER A 6 2.775 -14.464 -11.665 1.00 0.00 C ATOM 80 C SER A 6 3.464 -14.898 -12.956 1.00 0.00 C ATOM 81 O SER A 6 3.941 -14.068 -13.730 1.00 0.00 O ATOM 82 CB SER A 6 1.262 -14.455 -11.873 1.00 0.00 C ATOM 83 OG SER A 6 0.944 -13.605 -12.966 1.00 0.00 O ATOM 0 H SER A 6 3.523 -12.533 -12.016 1.00 0.00 H new ATOM 0 HA SER A 6 3.032 -15.172 -10.877 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.904 -15.466 -12.067 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.761 -14.108 -10.969 1.00 0.00 H new ATOM 0 HG SER A 6 -0.029 -13.522 -13.044 1.00 0.00 H new ATOM 89 N ILE A 7 3.497 -16.208 -13.182 1.00 0.00 N ATOM 90 CA ILE A 7 4.109 -16.776 -14.376 1.00 0.00 C ATOM 91 C ILE A 7 3.343 -18.037 -14.767 1.00 0.00 C ATOM 92 O ILE A 7 2.836 -18.742 -13.895 1.00 0.00 O ATOM 93 CB ILE A 7 5.574 -17.121 -14.108 1.00 0.00 C ATOM 94 CG1 ILE A 7 6.356 -15.837 -13.821 1.00 0.00 C ATOM 95 CG2 ILE A 7 6.167 -17.818 -15.332 1.00 0.00 C ATOM 96 CD1 ILE A 7 7.750 -16.192 -13.299 1.00 0.00 C ATOM 0 H ILE A 7 3.102 -16.901 -12.546 1.00 0.00 H new ATOM 0 HA ILE A 7 4.069 -16.049 -15.187 1.00 0.00 H new ATOM 0 HB ILE A 7 5.639 -17.786 -13.247 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.438 -15.238 -14.728 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.825 -15.232 -13.087 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.212 -18.064 -15.140 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.610 -18.733 -15.535 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.103 -17.155 -16.195 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.306 -15.277 -13.095 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.658 -16.773 -12.381 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.280 -16.779 -14.048 1.00 0.00 H new ATOM 108 N VAL A 8 3.245 -18.331 -16.059 1.00 0.00 N ATOM 109 CA VAL A 8 2.517 -19.525 -16.477 1.00 0.00 C ATOM 110 C VAL A 8 3.392 -20.767 -16.331 1.00 0.00 C ATOM 111 O VAL A 8 4.284 -21.018 -17.140 1.00 0.00 O ATOM 112 CB VAL A 8 2.069 -19.386 -17.931 1.00 0.00 C ATOM 113 CG1 VAL A 8 3.295 -19.207 -18.825 1.00 0.00 C ATOM 114 CG2 VAL A 8 1.309 -20.646 -18.352 1.00 0.00 C ATOM 0 H VAL A 8 3.647 -17.778 -16.816 1.00 0.00 H new ATOM 0 HA VAL A 8 1.641 -19.632 -15.837 1.00 0.00 H new ATOM 0 HB VAL A 8 1.417 -18.518 -18.031 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.977 -19.108 -19.863 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.837 -18.310 -18.524 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.947 -20.075 -18.727 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.989 -20.548 -19.389 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.961 -21.514 -18.254 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.435 -20.774 -17.713 1.00 0.00 H new ATOM 124 N THR A 9 3.106 -21.545 -15.295 1.00 0.00 N ATOM 125 CA THR A 9 3.837 -22.779 -15.024 1.00 0.00 C ATOM 126 C THR A 9 2.936 -23.751 -14.285 1.00 0.00 C ATOM 127 O THR A 9 2.108 -23.329 -13.479 1.00 0.00 O ATOM 128 CB THR A 9 5.064 -22.493 -14.161 1.00 0.00 C ATOM 129 OG1 THR A 9 6.207 -22.340 -14.990 1.00 0.00 O ATOM 130 CG2 THR A 9 5.272 -23.654 -13.185 1.00 0.00 C ATOM 0 H THR A 9 2.367 -21.342 -14.622 1.00 0.00 H new ATOM 0 HA THR A 9 4.156 -23.209 -15.974 1.00 0.00 H new ATOM 0 HB THR A 9 4.913 -21.572 -13.599 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.948 -21.902 -15.827 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.147 -23.456 -12.566 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.393 -23.757 -12.549 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.425 -24.577 -13.745 1.00 0.00 H new ATOM 138 N THR A 10 3.098 -25.048 -14.516 1.00 0.00 N ATOM 139 CA THR A 10 2.264 -25.989 -13.789 1.00 0.00 C ATOM 140 C THR A 10 3.105 -26.977 -12.990 1.00 0.00 C ATOM 141 O THR A 10 3.487 -28.035 -13.488 1.00 0.00 O ATOM 142 CB THR A 10 1.396 -26.769 -14.781 1.00 0.00 C ATOM 143 OG1 THR A 10 1.198 -28.088 -14.297 1.00 0.00 O ATOM 144 CG2 THR A 10 2.096 -26.826 -16.140 1.00 0.00 C ATOM 0 H THR A 10 3.767 -25.456 -15.169 1.00 0.00 H new ATOM 0 HA THR A 10 1.642 -25.422 -13.096 1.00 0.00 H new ATOM 0 HB THR A 10 0.433 -26.271 -14.890 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.411 -28.108 -13.714 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.477 -27.381 -16.845 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.251 -25.813 -16.512 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.060 -27.324 -16.032 1.00 0.00 H new ATOM 152 N ASN A 11 3.386 -26.617 -11.738 1.00 0.00 N ATOM 153 CA ASN A 11 4.180 -27.471 -10.864 1.00 0.00 C ATOM 154 C ASN A 11 3.574 -27.522 -9.470 1.00 0.00 C ATOM 155 O ASN A 11 4.183 -27.071 -8.500 1.00 0.00 O ATOM 156 CB ASN A 11 5.616 -26.951 -10.784 1.00 0.00 C ATOM 157 CG ASN A 11 6.253 -26.962 -12.171 1.00 0.00 C ATOM 158 OD1 ASN A 11 6.656 -25.915 -12.678 1.00 0.00 O ATOM 159 ND2 ASN A 11 6.365 -28.089 -12.817 1.00 0.00 N ATOM 0 H ASN A 11 3.076 -25.744 -11.311 1.00 0.00 H new ATOM 0 HA ASN A 11 4.185 -28.478 -11.281 1.00 0.00 H new ATOM 0 HB2 ASN A 11 5.623 -25.939 -10.380 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.199 -27.571 -10.102 1.00 0.00 H new ATOM 0 HD21 ASN A 11 6.788 -28.105 -13.745 1.00 0.00 H new ATOM 0 HD22 ASN A 11 6.030 -28.955 -12.394 1.00 0.00 H new ATOM 166 N PRO A 12 2.399 -28.065 -9.356 1.00 0.00 N ATOM 167 CA PRO A 12 1.702 -28.182 -8.046 1.00 0.00 C ATOM 168 C PRO A 12 2.587 -28.851 -6.998 1.00 0.00 C ATOM 169 O PRO A 12 2.894 -30.040 -7.095 1.00 0.00 O ATOM 170 CB PRO A 12 0.484 -29.052 -8.361 1.00 0.00 C ATOM 171 CG PRO A 12 0.241 -28.884 -9.826 1.00 0.00 C ATOM 172 CD PRO A 12 1.605 -28.615 -10.461 1.00 0.00 C ATOM 0 HA PRO A 12 1.438 -27.210 -7.628 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.673 -30.096 -8.112 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.383 -28.738 -7.781 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.215 -29.779 -10.249 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.445 -28.058 -10.014 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.049 -29.528 -10.858 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.529 -27.911 -11.289 1.00 0.00 H new ATOM 180 N ASP A 13 2.983 -28.077 -5.997 1.00 0.00 N ATOM 181 CA ASP A 13 3.828 -28.597 -4.928 1.00 0.00 C ATOM 182 C ASP A 13 3.151 -28.406 -3.574 1.00 0.00 C ATOM 183 O ASP A 13 2.655 -27.322 -3.267 1.00 0.00 O ATOM 184 CB ASP A 13 5.179 -27.878 -4.932 1.00 0.00 C ATOM 185 CG ASP A 13 5.997 -28.312 -6.145 1.00 0.00 C ATOM 186 OD1 ASP A 13 6.983 -27.655 -6.435 1.00 0.00 O ATOM 187 OD2 ASP A 13 5.625 -29.294 -6.764 1.00 0.00 O ATOM 0 H ASP A 13 2.735 -27.092 -5.902 1.00 0.00 H new ATOM 0 HA ASP A 13 3.985 -29.662 -5.098 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.026 -26.799 -4.953 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.724 -28.105 -4.016 1.00 0.00 H new ATOM 192 N PHE A 14 3.136 -29.461 -2.765 1.00 0.00 N ATOM 193 CA PHE A 14 2.515 -29.384 -1.447 1.00 0.00 C ATOM 194 C PHE A 14 3.579 -29.290 -0.357 1.00 0.00 C ATOM 195 O PHE A 14 3.302 -28.839 0.755 1.00 0.00 O ATOM 196 CB PHE A 14 1.646 -30.619 -1.207 1.00 0.00 C ATOM 197 CG PHE A 14 0.535 -30.660 -2.229 1.00 0.00 C ATOM 198 CD1 PHE A 14 -0.659 -29.970 -1.992 1.00 0.00 C ATOM 199 CD2 PHE A 14 0.701 -31.386 -3.415 1.00 0.00 C ATOM 200 CE1 PHE A 14 -1.689 -30.007 -2.940 1.00 0.00 C ATOM 201 CE2 PHE A 14 -0.328 -31.424 -4.362 1.00 0.00 C ATOM 202 CZ PHE A 14 -1.523 -30.733 -4.125 1.00 0.00 C ATOM 0 H PHE A 14 3.541 -30.368 -2.995 1.00 0.00 H new ATOM 0 HA PHE A 14 1.894 -28.489 -1.411 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.252 -31.522 -1.277 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.228 -30.593 -0.201 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.786 -29.409 -1.078 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.624 -31.917 -3.599 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.611 -29.476 -2.757 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.201 -31.986 -5.275 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.317 -30.760 -4.857 1.00 0.00 H new ATOM 212 N GLY A 15 4.792 -29.728 -0.679 1.00 0.00 N ATOM 213 CA GLY A 15 5.886 -29.699 0.286 1.00 0.00 C ATOM 214 C GLY A 15 6.179 -28.277 0.750 1.00 0.00 C ATOM 215 O GLY A 15 6.437 -28.043 1.931 1.00 0.00 O ATOM 0 H GLY A 15 5.041 -30.105 -1.594 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.632 -30.319 1.146 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.781 -30.129 -0.163 1.00 0.00 H new ATOM 219 N GLY A 16 6.135 -27.327 -0.179 1.00 0.00 N ATOM 220 CA GLY A 16 6.395 -25.932 0.160 1.00 0.00 C ATOM 221 C GLY A 16 5.107 -25.119 0.118 1.00 0.00 C ATOM 222 O GLY A 16 4.014 -25.677 0.005 1.00 0.00 O ATOM 0 H GLY A 16 5.924 -27.495 -1.163 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.838 -25.870 1.154 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.119 -25.512 -0.538 1.00 0.00 H new ATOM 226 N PHE A 17 5.239 -23.801 0.203 1.00 0.00 N ATOM 227 CA PHE A 17 4.073 -22.928 0.167 1.00 0.00 C ATOM 228 C PHE A 17 3.882 -22.349 -1.233 1.00 0.00 C ATOM 229 O PHE A 17 4.656 -21.504 -1.678 1.00 0.00 O ATOM 230 CB PHE A 17 4.230 -21.796 1.186 1.00 0.00 C ATOM 231 CG PHE A 17 5.513 -21.044 0.922 1.00 0.00 C ATOM 232 CD1 PHE A 17 6.704 -21.459 1.531 1.00 0.00 C ATOM 233 CD2 PHE A 17 5.511 -19.930 0.074 1.00 0.00 C ATOM 234 CE1 PHE A 17 7.892 -20.760 1.292 1.00 0.00 C ATOM 235 CE2 PHE A 17 6.701 -19.232 -0.166 1.00 0.00 C ATOM 236 CZ PHE A 17 7.892 -19.646 0.443 1.00 0.00 C ATOM 0 H PHE A 17 6.132 -23.317 0.296 1.00 0.00 H new ATOM 0 HA PHE A 17 3.192 -23.516 0.424 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.380 -21.117 1.122 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.238 -22.203 2.197 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.705 -22.318 2.185 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.592 -19.609 -0.395 1.00 0.00 H new ATOM 0 HE1 PHE A 17 8.810 -21.080 1.763 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.700 -18.374 -0.821 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.809 -19.107 0.258 1.00 0.00 H new ATOM 246 N GLU A 18 2.836 -22.805 -1.913 1.00 0.00 N ATOM 247 CA GLU A 18 2.535 -22.320 -3.255 1.00 0.00 C ATOM 248 C GLU A 18 1.050 -22.489 -3.557 1.00 0.00 C ATOM 249 O GLU A 18 0.439 -23.481 -3.160 1.00 0.00 O ATOM 250 CB GLU A 18 3.355 -23.085 -4.294 1.00 0.00 C ATOM 251 CG GLU A 18 4.845 -22.822 -4.064 1.00 0.00 C ATOM 252 CD GLU A 18 5.401 -23.825 -3.060 1.00 0.00 C ATOM 253 OE1 GLU A 18 6.610 -23.864 -2.901 1.00 0.00 O ATOM 254 OE2 GLU A 18 4.611 -24.538 -2.464 1.00 0.00 O ATOM 0 H GLU A 18 2.185 -23.506 -1.559 1.00 0.00 H new ATOM 0 HA GLU A 18 2.794 -21.262 -3.303 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.148 -24.153 -4.222 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.071 -22.773 -5.299 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.387 -22.900 -5.007 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.991 -21.807 -3.696 1.00 0.00 H new ATOM 261 N PHE A 19 0.471 -21.523 -4.258 1.00 0.00 N ATOM 262 CA PHE A 19 -0.944 -21.593 -4.598 1.00 0.00 C ATOM 263 C PHE A 19 -1.125 -21.575 -6.113 1.00 0.00 C ATOM 264 O PHE A 19 -0.591 -20.703 -6.798 1.00 0.00 O ATOM 265 CB PHE A 19 -1.692 -20.410 -3.981 1.00 0.00 C ATOM 266 CG PHE A 19 -3.163 -20.531 -4.296 1.00 0.00 C ATOM 267 CD1 PHE A 19 -3.701 -19.859 -5.401 1.00 0.00 C ATOM 268 CD2 PHE A 19 -3.988 -21.316 -3.483 1.00 0.00 C ATOM 269 CE1 PHE A 19 -5.066 -19.975 -5.691 1.00 0.00 C ATOM 270 CE2 PHE A 19 -5.354 -21.430 -3.773 1.00 0.00 C ATOM 271 CZ PHE A 19 -5.891 -20.760 -4.878 1.00 0.00 C ATOM 0 H PHE A 19 0.952 -20.691 -4.599 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.350 -22.523 -4.200 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.540 -20.392 -2.902 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.300 -19.472 -4.374 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.064 -19.253 -6.028 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.572 -21.834 -2.632 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.482 -19.458 -6.543 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.992 -22.034 -3.145 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.943 -20.849 -5.104 1.00 0.00 H new ATOM 281 N TYR A 20 -1.877 -22.541 -6.630 1.00 0.00 N ATOM 282 CA TYR A 20 -2.112 -22.617 -8.068 1.00 0.00 C ATOM 283 C TYR A 20 -3.605 -22.617 -8.376 1.00 0.00 C ATOM 284 O TYR A 20 -4.382 -23.306 -7.715 1.00 0.00 O ATOM 285 CB TYR A 20 -1.498 -23.901 -8.631 1.00 0.00 C ATOM 286 CG TYR A 20 -0.007 -23.909 -8.401 1.00 0.00 C ATOM 287 CD1 TYR A 20 0.848 -23.306 -9.330 1.00 0.00 C ATOM 288 CD2 TYR A 20 0.522 -24.530 -7.262 1.00 0.00 C ATOM 289 CE1 TYR A 20 2.232 -23.323 -9.121 1.00 0.00 C ATOM 290 CE2 TYR A 20 1.905 -24.547 -7.054 1.00 0.00 C ATOM 291 CZ TYR A 20 2.760 -23.944 -7.984 1.00 0.00 C ATOM 292 OH TYR A 20 4.125 -23.960 -7.777 1.00 0.00 O ATOM 0 H TYR A 20 -2.329 -23.274 -6.083 1.00 0.00 H new ATOM 0 HA TYR A 20 -1.649 -21.744 -8.529 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.952 -24.770 -8.154 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.709 -23.977 -9.698 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.440 -22.828 -10.208 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -0.138 -24.995 -6.545 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.892 -22.857 -9.837 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.313 -25.025 -6.176 1.00 0.00 H new ATOM 0 HH TYR A 20 4.469 -24.864 -7.936 1.00 0.00 H new ATOM 302 N VAL A 21 -3.997 -21.858 -9.395 1.00 0.00 N ATOM 303 CA VAL A 21 -5.399 -21.800 -9.790 1.00 0.00 C ATOM 304 C VAL A 21 -5.674 -22.828 -10.876 1.00 0.00 C ATOM 305 O VAL A 21 -5.048 -22.803 -11.937 1.00 0.00 O ATOM 306 CB VAL A 21 -5.750 -20.407 -10.318 1.00 0.00 C ATOM 307 CG1 VAL A 21 -7.192 -20.404 -10.827 1.00 0.00 C ATOM 308 CG2 VAL A 21 -5.615 -19.380 -9.194 1.00 0.00 C ATOM 0 H VAL A 21 -3.371 -21.281 -9.956 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.012 -22.016 -8.915 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.070 -20.150 -11.130 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.443 -19.412 -11.203 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.296 -21.134 -11.630 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.866 -20.664 -10.011 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.866 -18.390 -9.574 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.293 -19.639 -8.381 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.590 -19.378 -8.824 1.00 0.00 H new ATOM 318 N GLU A 22 -6.611 -23.730 -10.614 1.00 0.00 N ATOM 319 CA GLU A 22 -6.948 -24.754 -11.590 1.00 0.00 C ATOM 320 C GLU A 22 -7.587 -24.104 -12.811 1.00 0.00 C ATOM 321 O GLU A 22 -8.452 -23.239 -12.679 1.00 0.00 O ATOM 322 CB GLU A 22 -7.926 -25.755 -10.969 1.00 0.00 C ATOM 323 CG GLU A 22 -7.250 -26.480 -9.802 1.00 0.00 C ATOM 324 CD GLU A 22 -6.017 -27.230 -10.293 1.00 0.00 C ATOM 325 OE1 GLU A 22 -6.139 -27.948 -11.272 1.00 0.00 O ATOM 326 OE2 GLU A 22 -4.972 -27.077 -9.684 1.00 0.00 O ATOM 0 H GLU A 22 -7.144 -23.773 -9.745 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.041 -25.277 -11.892 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.819 -25.237 -10.620 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.249 -26.476 -11.720 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.966 -25.761 -9.033 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.950 -27.178 -9.343 1.00 0.00 H new ATOM 333 N ALA A 23 -7.149 -24.505 -14.000 1.00 0.00 N ATOM 334 CA ALA A 23 -7.690 -23.923 -15.220 1.00 0.00 C ATOM 335 C ALA A 23 -9.208 -23.858 -15.133 1.00 0.00 C ATOM 336 O ALA A 23 -9.867 -24.857 -14.846 1.00 0.00 O ATOM 337 CB ALA A 23 -7.276 -24.761 -16.431 1.00 0.00 C ATOM 0 H ALA A 23 -6.434 -25.218 -14.143 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.294 -22.914 -15.335 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.686 -24.317 -17.338 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.189 -24.788 -16.500 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.658 -25.776 -16.319 1.00 0.00 H new ATOM 343 N GLY A 24 -9.754 -22.673 -15.375 1.00 0.00 N ATOM 344 CA GLY A 24 -11.198 -22.486 -15.310 1.00 0.00 C ATOM 345 C GLY A 24 -11.672 -22.449 -13.860 1.00 0.00 C ATOM 346 O GLY A 24 -12.866 -22.569 -13.584 1.00 0.00 O ATOM 0 H GLY A 24 -9.225 -21.835 -15.616 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.472 -21.558 -15.811 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.699 -23.295 -15.841 1.00 0.00 H new ATOM 350 N GLN A 25 -10.728 -22.288 -12.934 1.00 0.00 N ATOM 351 CA GLN A 25 -11.062 -22.245 -11.514 1.00 0.00 C ATOM 352 C GLN A 25 -10.851 -20.840 -10.955 1.00 0.00 C ATOM 353 O GLN A 25 -9.854 -20.185 -11.253 1.00 0.00 O ATOM 354 CB GLN A 25 -10.200 -23.250 -10.746 1.00 0.00 C ATOM 355 CG GLN A 25 -10.782 -23.463 -9.347 1.00 0.00 C ATOM 356 CD GLN A 25 -9.851 -22.871 -8.295 1.00 0.00 C ATOM 357 OE1 GLN A 25 -8.635 -22.839 -8.489 1.00 0.00 O ATOM 358 NE2 GLN A 25 -10.349 -22.400 -7.187 1.00 0.00 N ATOM 0 H GLN A 25 -9.734 -22.186 -13.140 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.113 -22.510 -11.395 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.163 -24.198 -11.283 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.176 -22.885 -10.673 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.764 -22.996 -9.279 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.922 -24.528 -9.162 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.356 -22.427 -7.028 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -9.732 -22.004 -6.478 1.00 0.00 H new ATOM 367 N GLN A 26 -11.806 -20.383 -10.150 1.00 0.00 N ATOM 368 CA GLN A 26 -11.723 -19.051 -9.562 1.00 0.00 C ATOM 369 C GLN A 26 -10.671 -19.000 -8.459 1.00 0.00 C ATOM 370 O GLN A 26 -10.682 -19.810 -7.532 1.00 0.00 O ATOM 371 CB GLN A 26 -13.081 -18.651 -8.985 1.00 0.00 C ATOM 372 CG GLN A 26 -13.006 -17.221 -8.446 1.00 0.00 C ATOM 373 CD GLN A 26 -14.377 -16.780 -7.946 1.00 0.00 C ATOM 374 OE1 GLN A 26 -15.386 -17.005 -8.616 1.00 0.00 O ATOM 375 NE2 GLN A 26 -14.475 -16.162 -6.799 1.00 0.00 N ATOM 0 H GLN A 26 -12.640 -20.911 -9.892 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.435 -18.354 -10.349 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -13.850 -18.721 -9.755 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -13.365 -19.337 -8.187 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.279 -17.167 -7.635 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.661 -16.546 -9.229 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.638 -15.977 -6.246 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -15.389 -15.865 -6.456 1.00 0.00 H new ATOM 384 N PHE A 27 -9.768 -18.032 -8.566 1.00 0.00 N ATOM 385 CA PHE A 27 -8.711 -17.867 -7.576 1.00 0.00 C ATOM 386 C PHE A 27 -9.303 -17.543 -6.208 1.00 0.00 C ATOM 387 O PHE A 27 -10.079 -16.598 -6.066 1.00 0.00 O ATOM 388 CB PHE A 27 -7.774 -16.736 -8.000 1.00 0.00 C ATOM 389 CG PHE A 27 -6.778 -16.458 -6.896 1.00 0.00 C ATOM 390 CD1 PHE A 27 -5.661 -17.283 -6.732 1.00 0.00 C ATOM 391 CD2 PHE A 27 -6.979 -15.372 -6.035 1.00 0.00 C ATOM 392 CE1 PHE A 27 -4.742 -17.023 -5.709 1.00 0.00 C ATOM 393 CE2 PHE A 27 -6.060 -15.112 -5.012 1.00 0.00 C ATOM 394 CZ PHE A 27 -4.941 -15.937 -4.849 1.00 0.00 C ATOM 0 H PHE A 27 -9.747 -17.352 -9.326 1.00 0.00 H new ATOM 0 HA PHE A 27 -8.154 -18.801 -7.509 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.250 -17.009 -8.916 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.350 -15.837 -8.219 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.507 -18.121 -7.395 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.843 -14.736 -6.160 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.879 -17.660 -5.583 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.214 -14.274 -4.348 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.232 -15.736 -4.060 1.00 0.00 H new ATOM 404 N ASP A 28 -8.933 -18.332 -5.205 1.00 0.00 N ATOM 405 CA ASP A 28 -9.437 -18.112 -3.854 1.00 0.00 C ATOM 406 C ASP A 28 -8.585 -17.073 -3.137 1.00 0.00 C ATOM 407 O ASP A 28 -7.592 -17.406 -2.491 1.00 0.00 O ATOM 408 CB ASP A 28 -9.415 -19.425 -3.068 1.00 0.00 C ATOM 409 CG ASP A 28 -10.014 -19.212 -1.681 1.00 0.00 C ATOM 410 OD1 ASP A 28 -10.199 -20.194 -0.981 1.00 0.00 O ATOM 411 OD2 ASP A 28 -10.280 -18.071 -1.341 1.00 0.00 O ATOM 0 H ASP A 28 -8.293 -19.121 -5.299 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.462 -17.748 -3.919 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.979 -20.189 -3.604 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.391 -19.788 -2.979 1.00 0.00 H new ATOM 416 N ASP A 29 -8.978 -15.811 -3.265 1.00 0.00 N ATOM 417 CA ASP A 29 -8.243 -14.723 -2.635 1.00 0.00 C ATOM 418 C ASP A 29 -8.410 -14.757 -1.118 1.00 0.00 C ATOM 419 O ASP A 29 -7.552 -14.271 -0.382 1.00 0.00 O ATOM 420 CB ASP A 29 -8.744 -13.382 -3.172 1.00 0.00 C ATOM 421 CG ASP A 29 -10.228 -13.216 -2.863 1.00 0.00 C ATOM 422 OD1 ASP A 29 -10.789 -12.210 -3.265 1.00 0.00 O ATOM 423 OD2 ASP A 29 -10.784 -14.099 -2.229 1.00 0.00 O ATOM 0 H ASP A 29 -9.797 -15.518 -3.797 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.186 -14.844 -2.871 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.177 -12.567 -2.722 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.580 -13.328 -4.248 1.00 0.00 H new ATOM 428 N SER A 30 -9.517 -15.327 -0.656 1.00 0.00 N ATOM 429 CA SER A 30 -9.773 -15.406 0.777 1.00 0.00 C ATOM 430 C SER A 30 -8.741 -16.293 1.465 1.00 0.00 C ATOM 431 O SER A 30 -8.281 -15.986 2.564 1.00 0.00 O ATOM 432 CB SER A 30 -11.174 -15.964 1.027 1.00 0.00 C ATOM 433 OG SER A 30 -11.250 -17.289 0.517 1.00 0.00 O ATOM 0 H SER A 30 -10.243 -15.736 -1.244 1.00 0.00 H new ATOM 0 HA SER A 30 -9.701 -14.401 1.192 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.394 -15.960 2.094 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.921 -15.333 0.545 1.00 0.00 H new ATOM 0 HG SER A 30 -10.854 -17.318 -0.379 1.00 0.00 H new ATOM 439 N ALA A 31 -8.379 -17.393 0.812 1.00 0.00 N ATOM 440 CA ALA A 31 -7.397 -18.315 1.375 1.00 0.00 C ATOM 441 C ALA A 31 -5.978 -17.822 1.108 1.00 0.00 C ATOM 442 O ALA A 31 -5.072 -18.044 1.911 1.00 0.00 O ATOM 443 CB ALA A 31 -7.578 -19.706 0.767 1.00 0.00 C ATOM 0 H ALA A 31 -8.747 -17.667 -0.099 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.553 -18.365 2.453 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.841 -20.388 1.192 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.581 -20.072 0.987 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.441 -19.652 -0.313 1.00 0.00 H new ATOM 449 N TYR A 32 -5.795 -17.160 -0.030 1.00 0.00 N ATOM 450 CA TYR A 32 -4.483 -16.646 -0.401 1.00 0.00 C ATOM 451 C TYR A 32 -3.981 -15.654 0.643 1.00 0.00 C ATOM 452 O TYR A 32 -2.842 -15.740 1.098 1.00 0.00 O ATOM 453 CB TYR A 32 -4.558 -15.953 -1.761 1.00 0.00 C ATOM 454 CG TYR A 32 -3.187 -15.443 -2.142 1.00 0.00 C ATOM 455 CD1 TYR A 32 -2.817 -14.129 -1.832 1.00 0.00 C ATOM 456 CD2 TYR A 32 -2.288 -16.284 -2.809 1.00 0.00 C ATOM 457 CE1 TYR A 32 -1.550 -13.656 -2.190 1.00 0.00 C ATOM 458 CE2 TYR A 32 -1.020 -15.811 -3.165 1.00 0.00 C ATOM 459 CZ TYR A 32 -0.652 -14.497 -2.857 1.00 0.00 C ATOM 460 OH TYR A 32 0.600 -14.030 -3.208 1.00 0.00 O ATOM 0 H TYR A 32 -6.534 -16.968 -0.707 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.790 -17.485 -0.456 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.922 -16.649 -2.517 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.267 -15.126 -1.721 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.510 -13.480 -1.316 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.573 -17.298 -3.049 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.265 -12.642 -1.952 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.326 -16.460 -3.677 1.00 0.00 H new ATOM 0 HH TYR A 32 1.254 -14.308 -2.533 1.00 0.00 H new ATOM 470 N GLU A 33 -4.844 -14.720 1.025 1.00 0.00 N ATOM 471 CA GLU A 33 -4.473 -13.723 2.022 1.00 0.00 C ATOM 472 C GLU A 33 -4.280 -14.385 3.382 1.00 0.00 C ATOM 473 O GLU A 33 -3.562 -13.872 4.235 1.00 0.00 O ATOM 474 CB GLU A 33 -5.558 -12.648 2.123 1.00 0.00 C ATOM 475 CG GLU A 33 -6.830 -13.258 2.710 1.00 0.00 C ATOM 476 CD GLU A 33 -7.941 -12.214 2.743 1.00 0.00 C ATOM 477 OE1 GLU A 33 -7.694 -11.101 2.311 1.00 0.00 O ATOM 478 OE2 GLU A 33 -9.022 -12.543 3.202 1.00 0.00 O ATOM 0 H GLU A 33 -5.794 -14.632 0.665 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.536 -13.258 1.715 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.213 -11.827 2.751 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.764 -12.231 1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.142 -14.114 2.112 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.635 -13.626 3.717 1.00 0.00 H new ATOM 485 N GLU A 34 -4.949 -15.514 3.582 1.00 0.00 N ATOM 486 CA GLU A 34 -4.853 -16.219 4.855 1.00 0.00 C ATOM 487 C GLU A 34 -3.416 -16.650 5.144 1.00 0.00 C ATOM 488 O GLU A 34 -2.893 -16.389 6.228 1.00 0.00 O ATOM 489 CB GLU A 34 -5.759 -17.453 4.834 1.00 0.00 C ATOM 490 CG GLU A 34 -5.638 -18.197 6.163 1.00 0.00 C ATOM 491 CD GLU A 34 -6.127 -17.311 7.304 1.00 0.00 C ATOM 492 OE1 GLU A 34 -5.779 -17.593 8.438 1.00 0.00 O ATOM 493 OE2 GLU A 34 -6.845 -16.365 7.026 1.00 0.00 O ATOM 0 H GLU A 34 -5.555 -15.956 2.891 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.172 -15.536 5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.794 -17.155 4.665 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.478 -18.110 4.011 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.223 -19.116 6.129 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.601 -18.485 6.335 1.00 0.00 H new ATOM 500 N ALA A 35 -2.774 -17.306 4.177 1.00 0.00 N ATOM 501 CA ALA A 35 -1.396 -17.755 4.366 1.00 0.00 C ATOM 502 C ALA A 35 -0.431 -16.571 4.380 1.00 0.00 C ATOM 503 O ALA A 35 0.472 -16.497 5.213 1.00 0.00 O ATOM 504 CB ALA A 35 -1.006 -18.717 3.242 1.00 0.00 C ATOM 0 H ALA A 35 -3.179 -17.535 3.269 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.333 -18.265 5.327 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.022 -19.049 3.387 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.671 -19.580 3.255 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.091 -18.208 2.282 1.00 0.00 H new ATOM 510 N TYR A 36 -0.630 -15.656 3.439 1.00 0.00 N ATOM 511 CA TYR A 36 0.226 -14.479 3.329 1.00 0.00 C ATOM 512 C TYR A 36 -0.109 -13.459 4.409 1.00 0.00 C ATOM 513 O TYR A 36 0.738 -12.658 4.808 1.00 0.00 O ATOM 514 CB TYR A 36 0.072 -13.845 1.946 1.00 0.00 C ATOM 515 CG TYR A 36 0.694 -14.750 0.911 1.00 0.00 C ATOM 516 CD1 TYR A 36 2.086 -14.796 0.770 1.00 0.00 C ATOM 517 CD2 TYR A 36 -0.118 -15.543 0.091 1.00 0.00 C ATOM 518 CE1 TYR A 36 2.666 -15.635 -0.189 1.00 0.00 C ATOM 519 CE2 TYR A 36 0.462 -16.382 -0.868 1.00 0.00 C ATOM 520 CZ TYR A 36 1.854 -16.429 -1.007 1.00 0.00 C ATOM 521 OH TYR A 36 2.427 -17.256 -1.952 1.00 0.00 O ATOM 0 H TYR A 36 -1.374 -15.705 2.743 1.00 0.00 H new ATOM 0 HA TYR A 36 1.260 -14.796 3.466 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.983 -13.687 1.721 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.552 -12.867 1.926 1.00 0.00 H new ATOM 0 HD1 TYR A 36 2.713 -14.184 1.401 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.192 -15.507 0.198 1.00 0.00 H new ATOM 0 HE1 TYR A 36 3.740 -15.670 -0.298 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.165 -16.993 -1.501 1.00 0.00 H new ATOM 0 HH TYR A 36 1.723 -17.739 -2.434 1.00 0.00 H new ATOM 531 N GLY A 37 -1.347 -13.496 4.880 1.00 0.00 N ATOM 532 CA GLY A 37 -1.790 -12.575 5.918 1.00 0.00 C ATOM 533 C GLY A 37 -2.062 -11.187 5.345 1.00 0.00 C ATOM 534 O GLY A 37 -2.152 -10.210 6.088 1.00 0.00 O ATOM 0 H GLY A 37 -2.061 -14.151 4.562 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.695 -12.961 6.388 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.030 -12.507 6.696 1.00 0.00 H new ATOM 538 N VAL A 38 -2.193 -11.102 4.024 1.00 0.00 N ATOM 539 CA VAL A 38 -2.459 -9.816 3.386 1.00 0.00 C ATOM 540 C VAL A 38 -3.640 -9.907 2.423 1.00 0.00 C ATOM 541 O VAL A 38 -3.783 -10.881 1.683 1.00 0.00 O ATOM 542 CB VAL A 38 -1.217 -9.348 2.626 1.00 0.00 C ATOM 543 CG1 VAL A 38 -0.065 -9.135 3.609 1.00 0.00 C ATOM 544 CG2 VAL A 38 -0.819 -10.413 1.600 1.00 0.00 C ATOM 0 H VAL A 38 -2.121 -11.893 3.384 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.709 -9.098 4.167 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.436 -8.410 2.115 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.819 -8.802 3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.347 -8.379 4.342 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.155 -10.072 4.120 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.066 -10.082 1.057 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.601 -11.349 2.114 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.639 -10.567 0.898 1.00 0.00 H new ATOM 554 N SER A 39 -4.482 -8.879 2.450 1.00 0.00 N ATOM 555 CA SER A 39 -5.659 -8.832 1.589 1.00 0.00 C ATOM 556 C SER A 39 -5.263 -8.791 0.116 1.00 0.00 C ATOM 557 O SER A 39 -4.257 -8.186 -0.254 1.00 0.00 O ATOM 558 CB SER A 39 -6.496 -7.598 1.925 1.00 0.00 C ATOM 559 OG SER A 39 -6.969 -7.700 3.261 1.00 0.00 O ATOM 0 H SER A 39 -4.372 -8.068 3.058 1.00 0.00 H new ATOM 0 HA SER A 39 -6.243 -9.735 1.764 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.897 -6.695 1.807 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.336 -7.515 1.235 1.00 0.00 H new ATOM 0 HG SER A 39 -7.505 -6.909 3.480 1.00 0.00 H new ATOM 565 N VAL A 40 -6.069 -9.441 -0.718 1.00 0.00 N ATOM 566 CA VAL A 40 -5.811 -9.482 -2.153 1.00 0.00 C ATOM 567 C VAL A 40 -6.848 -8.651 -2.903 1.00 0.00 C ATOM 568 O VAL A 40 -8.046 -8.919 -2.819 1.00 0.00 O ATOM 569 CB VAL A 40 -5.866 -10.925 -2.653 1.00 0.00 C ATOM 570 CG1 VAL A 40 -5.583 -10.958 -4.156 1.00 0.00 C ATOM 571 CG2 VAL A 40 -4.818 -11.762 -1.918 1.00 0.00 C ATOM 0 H VAL A 40 -6.905 -9.946 -0.425 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.819 -9.069 -2.337 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.857 -11.336 -2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.623 -11.988 -4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.332 -10.364 -4.680 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.593 -10.545 -4.349 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.858 -12.791 -2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.826 -11.351 -2.107 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.022 -11.742 -0.847 1.00 0.00 H new ATOM 581 N PRO A 41 -6.415 -7.657 -3.630 1.00 0.00 N ATOM 582 CA PRO A 41 -7.335 -6.774 -4.409 1.00 0.00 C ATOM 583 C PRO A 41 -8.004 -7.523 -5.560 1.00 0.00 C ATOM 584 O PRO A 41 -7.409 -8.417 -6.161 1.00 0.00 O ATOM 585 CB PRO A 41 -6.415 -5.664 -4.930 1.00 0.00 C ATOM 586 CG PRO A 41 -5.050 -6.265 -4.948 1.00 0.00 C ATOM 587 CD PRO A 41 -5.007 -7.265 -3.795 1.00 0.00 C ATOM 0 HA PRO A 41 -8.159 -6.396 -3.803 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.715 -5.339 -5.926 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.451 -4.787 -4.284 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.856 -6.760 -5.899 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.286 -5.498 -4.826 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.376 -8.122 -4.030 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.606 -6.814 -2.887 1.00 0.00 H new ATOM 595 N SER A 42 -9.252 -7.166 -5.844 1.00 0.00 N ATOM 596 CA SER A 42 -10.009 -7.827 -6.903 1.00 0.00 C ATOM 597 C SER A 42 -9.334 -7.667 -8.263 1.00 0.00 C ATOM 598 O SER A 42 -9.414 -8.562 -9.105 1.00 0.00 O ATOM 599 CB SER A 42 -11.420 -7.245 -6.967 1.00 0.00 C ATOM 600 OG SER A 42 -11.346 -5.866 -7.305 1.00 0.00 O ATOM 0 H SER A 42 -9.760 -6.426 -5.359 1.00 0.00 H new ATOM 0 HA SER A 42 -10.051 -8.891 -6.668 1.00 0.00 H new ATOM 0 HB2 SER A 42 -12.013 -7.781 -7.708 1.00 0.00 H new ATOM 0 HB3 SER A 42 -11.921 -7.369 -6.007 1.00 0.00 H new ATOM 0 HG SER A 42 -12.250 -5.491 -7.348 1.00 0.00 H new ATOM 606 N ALA A 43 -8.680 -6.532 -8.485 1.00 0.00 N ATOM 607 CA ALA A 43 -8.018 -6.300 -9.764 1.00 0.00 C ATOM 608 C ALA A 43 -6.950 -7.362 -10.012 1.00 0.00 C ATOM 609 O ALA A 43 -6.837 -7.895 -11.115 1.00 0.00 O ATOM 610 CB ALA A 43 -7.375 -4.912 -9.775 1.00 0.00 C ATOM 0 H ALA A 43 -8.594 -5.771 -7.811 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.764 -6.359 -10.556 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.883 -4.747 -10.733 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.144 -4.154 -9.626 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.640 -4.845 -8.973 1.00 0.00 H new ATOM 616 N VAL A 44 -6.182 -7.678 -8.975 1.00 0.00 N ATOM 617 CA VAL A 44 -5.142 -8.694 -9.089 1.00 0.00 C ATOM 618 C VAL A 44 -5.767 -10.064 -9.340 1.00 0.00 C ATOM 619 O VAL A 44 -5.288 -10.842 -10.166 1.00 0.00 O ATOM 620 CB VAL A 44 -4.309 -8.738 -7.807 1.00 0.00 C ATOM 621 CG1 VAL A 44 -3.369 -9.943 -7.849 1.00 0.00 C ATOM 622 CG2 VAL A 44 -3.485 -7.454 -7.691 1.00 0.00 C ATOM 0 H VAL A 44 -6.259 -7.249 -8.053 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.496 -8.438 -9.929 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.972 -8.825 -6.946 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.776 -9.974 -6.935 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.955 -10.859 -7.932 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.706 -9.857 -8.710 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.891 -7.484 -6.778 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.822 -7.368 -8.552 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.154 -6.594 -7.660 1.00 0.00 H new ATOM 632 N VAL A 45 -6.838 -10.345 -8.606 1.00 0.00 N ATOM 633 CA VAL A 45 -7.543 -11.618 -8.720 1.00 0.00 C ATOM 634 C VAL A 45 -8.121 -11.816 -10.120 1.00 0.00 C ATOM 635 O VAL A 45 -8.074 -12.919 -10.663 1.00 0.00 O ATOM 636 CB VAL A 45 -8.673 -11.675 -7.691 1.00 0.00 C ATOM 637 CG1 VAL A 45 -9.546 -12.900 -7.960 1.00 0.00 C ATOM 638 CG2 VAL A 45 -8.075 -11.775 -6.286 1.00 0.00 C ATOM 0 H VAL A 45 -7.239 -9.704 -7.921 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.825 -12.416 -8.533 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.280 -10.773 -7.766 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.351 -12.941 -7.227 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.970 -12.832 -8.962 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.940 -13.803 -7.884 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.879 -11.816 -5.551 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.469 -12.678 -6.212 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.451 -10.902 -6.093 1.00 0.00 H new ATOM 648 N GLU A 46 -8.682 -10.758 -10.698 1.00 0.00 N ATOM 649 CA GLU A 46 -9.268 -10.875 -12.027 1.00 0.00 C ATOM 650 C GLU A 46 -8.209 -11.282 -13.046 1.00 0.00 C ATOM 651 O GLU A 46 -8.447 -12.152 -13.884 1.00 0.00 O ATOM 652 CB GLU A 46 -9.891 -9.542 -12.441 1.00 0.00 C ATOM 653 CG GLU A 46 -11.141 -9.278 -11.601 1.00 0.00 C ATOM 654 CD GLU A 46 -11.671 -7.877 -11.879 1.00 0.00 C ATOM 655 OE1 GLU A 46 -12.784 -7.592 -11.467 1.00 0.00 O ATOM 656 OE2 GLU A 46 -10.956 -7.107 -12.499 1.00 0.00 O ATOM 0 H GLU A 46 -8.743 -9.830 -10.278 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.040 -11.643 -11.997 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.171 -8.735 -12.305 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.150 -9.563 -13.500 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.907 -10.018 -11.832 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.906 -9.383 -10.542 1.00 0.00 H new ATOM 663 N GLU A 47 -7.043 -10.643 -12.982 1.00 0.00 N ATOM 664 CA GLU A 47 -5.970 -10.949 -13.923 1.00 0.00 C ATOM 665 C GLU A 47 -5.555 -12.412 -13.811 1.00 0.00 C ATOM 666 O GLU A 47 -5.380 -13.091 -14.823 1.00 0.00 O ATOM 667 CB GLU A 47 -4.763 -10.051 -13.643 1.00 0.00 C ATOM 668 CG GLU A 47 -3.657 -10.351 -14.656 1.00 0.00 C ATOM 669 CD GLU A 47 -2.464 -9.429 -14.416 1.00 0.00 C ATOM 670 OE1 GLU A 47 -1.496 -9.542 -15.148 1.00 0.00 O ATOM 671 OE2 GLU A 47 -2.539 -8.623 -13.502 1.00 0.00 O ATOM 0 H GLU A 47 -6.819 -9.920 -12.298 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.335 -10.766 -14.934 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.054 -9.003 -13.706 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.398 -10.220 -12.630 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.346 -11.392 -14.569 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.034 -10.215 -15.670 1.00 0.00 H new ATOM 678 N MET A 48 -5.402 -12.896 -12.583 1.00 0.00 N ATOM 679 CA MET A 48 -5.015 -14.286 -12.378 1.00 0.00 C ATOM 680 C MET A 48 -6.159 -15.216 -12.768 1.00 0.00 C ATOM 681 O MET A 48 -5.942 -16.247 -13.405 1.00 0.00 O ATOM 682 CB MET A 48 -4.623 -14.518 -10.916 1.00 0.00 C ATOM 683 CG MET A 48 -5.817 -14.221 -10.009 1.00 0.00 C ATOM 684 SD MET A 48 -5.333 -14.453 -8.282 1.00 0.00 S ATOM 685 CE MET A 48 -4.305 -12.970 -8.131 1.00 0.00 C ATOM 0 H MET A 48 -5.537 -12.357 -11.728 1.00 0.00 H new ATOM 0 HA MET A 48 -4.154 -14.504 -13.010 1.00 0.00 H new ATOM 0 HB2 MET A 48 -4.295 -15.548 -10.776 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.783 -13.877 -10.649 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.162 -13.199 -10.167 1.00 0.00 H new ATOM 0 HG3 MET A 48 -6.649 -14.881 -10.257 1.00 0.00 H new ATOM 0 HE1 MET A 48 -3.299 -13.254 -7.822 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.258 -12.460 -9.093 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.738 -12.301 -7.387 1.00 0.00 H new ATOM 695 N ASN A 49 -7.379 -14.837 -12.398 1.00 0.00 N ATOM 696 CA ASN A 49 -8.549 -15.640 -12.738 1.00 0.00 C ATOM 697 C ASN A 49 -8.743 -15.680 -14.249 1.00 0.00 C ATOM 698 O ASN A 49 -9.088 -16.717 -14.816 1.00 0.00 O ATOM 699 CB ASN A 49 -9.801 -15.059 -12.078 1.00 0.00 C ATOM 700 CG ASN A 49 -9.765 -15.314 -10.576 1.00 0.00 C ATOM 701 OD1 ASN A 49 -9.018 -16.172 -10.110 1.00 0.00 O ATOM 702 ND2 ASN A 49 -10.539 -14.620 -9.787 1.00 0.00 N ATOM 0 H ASN A 49 -7.582 -13.989 -11.869 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.388 -16.654 -12.371 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.861 -13.988 -12.272 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.693 -15.511 -12.511 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.525 -14.789 -8.781 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.158 -13.909 -10.176 1.00 0.00 H new ATOM 709 N ALA A 50 -8.513 -14.541 -14.892 1.00 0.00 N ATOM 710 CA ALA A 50 -8.661 -14.451 -16.340 1.00 0.00 C ATOM 711 C ALA A 50 -7.678 -15.391 -17.029 1.00 0.00 C ATOM 712 O ALA A 50 -8.025 -16.074 -17.992 1.00 0.00 O ATOM 713 CB ALA A 50 -8.408 -13.016 -16.805 1.00 0.00 C ATOM 0 H ALA A 50 -8.226 -13.674 -14.438 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.678 -14.741 -16.604 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.521 -12.959 -17.888 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.126 -12.348 -16.330 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.397 -12.717 -16.529 1.00 0.00 H new ATOM 719 N LYS A 51 -6.449 -15.413 -16.529 1.00 0.00 N ATOM 720 CA LYS A 51 -5.414 -16.264 -17.103 1.00 0.00 C ATOM 721 C LYS A 51 -5.795 -17.737 -16.987 1.00 0.00 C ATOM 722 O LYS A 51 -5.569 -18.516 -17.911 1.00 0.00 O ATOM 723 CB LYS A 51 -4.083 -16.023 -16.392 1.00 0.00 C ATOM 724 CG LYS A 51 -3.543 -14.643 -16.773 1.00 0.00 C ATOM 725 CD LYS A 51 -2.277 -14.351 -15.966 1.00 0.00 C ATOM 726 CE LYS A 51 -1.165 -15.305 -16.405 1.00 0.00 C ATOM 727 NZ LYS A 51 0.091 -14.974 -15.674 1.00 0.00 N ATOM 0 H LYS A 51 -6.145 -14.854 -15.731 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.314 -16.011 -18.159 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.219 -16.087 -15.312 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.365 -16.795 -16.669 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.323 -14.609 -17.840 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.296 -13.879 -16.578 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.966 -13.317 -16.118 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.475 -14.471 -14.901 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.455 -16.336 -16.203 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.005 -15.224 -17.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.698 -15.817 -15.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.594 -14.214 -16.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.141 -14.660 -14.710 1.00 0.00 H new ATOM 741 N ALA A 52 -6.372 -18.115 -15.851 1.00 0.00 N ATOM 742 CA ALA A 52 -6.770 -19.502 -15.634 1.00 0.00 C ATOM 743 C ALA A 52 -7.795 -19.942 -16.672 1.00 0.00 C ATOM 744 O ALA A 52 -7.742 -21.068 -17.170 1.00 0.00 O ATOM 745 CB ALA A 52 -7.362 -19.659 -14.232 1.00 0.00 C ATOM 0 H ALA A 52 -6.573 -17.487 -15.073 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.885 -20.131 -15.731 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.657 -20.697 -14.076 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.616 -19.378 -13.489 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.235 -19.014 -14.131 1.00 0.00 H new ATOM 751 N ALA A 53 -8.711 -19.044 -17.014 1.00 0.00 N ATOM 752 CA ALA A 53 -9.726 -19.349 -18.016 1.00 0.00 C ATOM 753 C ALA A 53 -9.067 -19.596 -19.369 1.00 0.00 C ATOM 754 O ALA A 53 -9.459 -20.494 -20.114 1.00 0.00 O ATOM 755 CB ALA A 53 -10.714 -18.187 -18.129 1.00 0.00 C ATOM 0 H ALA A 53 -8.773 -18.107 -16.617 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.263 -20.247 -17.711 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.469 -18.423 -18.879 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.198 -18.026 -17.166 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.180 -17.283 -18.423 1.00 0.00 H new ATOM 761 N GLN A 54 -8.050 -18.793 -19.661 1.00 0.00 N ATOM 762 CA GLN A 54 -7.309 -18.920 -20.910 1.00 0.00 C ATOM 763 C GLN A 54 -6.415 -20.157 -20.878 1.00 0.00 C ATOM 764 O GLN A 54 -6.096 -20.734 -21.918 1.00 0.00 O ATOM 765 CB GLN A 54 -6.456 -17.672 -21.145 1.00 0.00 C ATOM 766 CG GLN A 54 -5.950 -17.668 -22.589 1.00 0.00 C ATOM 767 CD GLN A 54 -5.263 -16.341 -22.900 1.00 0.00 C ATOM 768 OE1 GLN A 54 -5.047 -15.487 -21.938 1.00 0.00 O flip ATOM 769 NE2 GLN A 54 -4.915 -16.079 -24.051 1.00 0.00 N flip ATOM 0 H GLN A 54 -7.720 -18.047 -19.049 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.024 -19.024 -21.726 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.043 -16.775 -20.951 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.614 -17.658 -20.453 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.253 -18.492 -22.740 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.783 -17.825 -23.275 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -5.086 -16.749 -24.801 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.456 -15.191 -24.255 1.00 0.00 H new ATOM 778 N LEU A 55 -6.002 -20.545 -19.676 1.00 0.00 N ATOM 779 CA LEU A 55 -5.128 -21.702 -19.503 1.00 0.00 C ATOM 780 C LEU A 55 -5.842 -23.010 -19.824 1.00 0.00 C ATOM 781 O LEU A 55 -7.013 -23.195 -19.499 1.00 0.00 O ATOM 782 CB LEU A 55 -4.610 -21.749 -18.063 1.00 0.00 C ATOM 783 CG LEU A 55 -3.577 -20.641 -17.852 1.00 0.00 C ATOM 784 CD1 LEU A 55 -3.260 -20.519 -16.360 1.00 0.00 C ATOM 785 CD2 LEU A 55 -2.298 -20.988 -18.616 1.00 0.00 C ATOM 0 H LEU A 55 -6.258 -20.076 -18.807 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.297 -21.592 -20.200 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.437 -21.626 -17.364 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.162 -22.721 -17.859 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.976 -19.695 -18.218 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.524 -19.730 -16.208 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.171 -20.276 -15.813 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.859 -21.464 -15.995 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.560 -20.200 -18.467 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.899 -21.933 -18.247 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.522 -21.079 -19.679 1.00 0.00 H new ATOM 797 N LYS A 56 -5.103 -23.919 -20.453 1.00 0.00 N ATOM 798 CA LYS A 56 -5.632 -25.227 -20.814 1.00 0.00 C ATOM 799 C LYS A 56 -5.222 -26.257 -19.766 1.00 0.00 C ATOM 800 O LYS A 56 -4.415 -25.965 -18.885 1.00 0.00 O ATOM 801 CB LYS A 56 -5.102 -25.648 -22.185 1.00 0.00 C ATOM 802 CG LYS A 56 -5.621 -24.683 -23.253 1.00 0.00 C ATOM 803 CD LYS A 56 -5.090 -25.105 -24.623 1.00 0.00 C ATOM 804 CE LYS A 56 -5.606 -24.140 -25.693 1.00 0.00 C ATOM 805 NZ LYS A 56 -5.084 -24.549 -27.027 1.00 0.00 N ATOM 0 H LYS A 56 -4.131 -23.771 -20.724 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.720 -25.169 -20.856 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.012 -25.649 -22.180 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.421 -26.665 -22.413 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.711 -24.682 -23.258 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.302 -23.666 -23.025 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.000 -25.108 -24.617 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.410 -26.122 -24.851 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.696 -24.140 -25.702 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.289 -23.123 -25.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.435 -23.893 -27.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.044 -24.527 -27.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.408 -25.513 -27.246 1.00 0.00 H new ATOM 819 N ASP A 57 -5.772 -27.461 -19.867 1.00 0.00 N ATOM 820 CA ASP A 57 -5.441 -28.519 -18.919 1.00 0.00 C ATOM 821 C ASP A 57 -3.942 -28.806 -18.945 1.00 0.00 C ATOM 822 O ASP A 57 -3.290 -28.641 -19.977 1.00 0.00 O ATOM 823 CB ASP A 57 -6.215 -29.792 -19.267 1.00 0.00 C ATOM 824 CG ASP A 57 -6.062 -30.823 -18.153 1.00 0.00 C ATOM 825 OD1 ASP A 57 -6.766 -31.819 -18.193 1.00 0.00 O ATOM 826 OD2 ASP A 57 -5.244 -30.601 -17.275 1.00 0.00 O ATOM 0 H ASP A 57 -6.443 -27.728 -20.588 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.720 -28.189 -17.918 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.269 -29.557 -19.412 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.848 -30.204 -20.207 1.00 0.00 H new ATOM 831 N GLY A 58 -3.403 -29.240 -17.811 1.00 0.00 N ATOM 832 CA GLY A 58 -1.979 -29.550 -17.724 1.00 0.00 C ATOM 833 C GLY A 58 -1.154 -28.299 -17.436 1.00 0.00 C ATOM 834 O GLY A 58 0.075 -28.349 -17.421 1.00 0.00 O ATOM 0 H GLY A 58 -3.924 -29.384 -16.946 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.813 -30.286 -16.938 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.645 -30.001 -18.659 1.00 0.00 H new ATOM 838 N GLU A 59 -1.832 -27.180 -17.204 1.00 0.00 N ATOM 839 CA GLU A 59 -1.142 -25.927 -16.912 1.00 0.00 C ATOM 840 C GLU A 59 -1.722 -25.269 -15.666 1.00 0.00 C ATOM 841 O GLU A 59 -2.902 -25.434 -15.356 1.00 0.00 O ATOM 842 CB GLU A 59 -1.250 -24.973 -18.100 1.00 0.00 C ATOM 843 CG GLU A 59 -0.402 -25.508 -19.252 1.00 0.00 C ATOM 844 CD GLU A 59 -0.619 -24.659 -20.500 1.00 0.00 C ATOM 845 OE1 GLU A 59 0.140 -24.821 -21.443 1.00 0.00 O ATOM 846 OE2 GLU A 59 -1.540 -23.860 -20.495 1.00 0.00 O ATOM 0 H GLU A 59 -2.850 -27.114 -17.212 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.091 -26.152 -16.730 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.290 -24.878 -18.412 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.910 -23.977 -17.814 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.652 -25.497 -18.974 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.667 -26.545 -19.458 1.00 0.00 H new ATOM 853 N TRP A 60 -0.886 -24.517 -14.956 1.00 0.00 N ATOM 854 CA TRP A 60 -1.329 -23.839 -13.748 1.00 0.00 C ATOM 855 C TRP A 60 -0.731 -22.440 -13.679 1.00 0.00 C ATOM 856 O TRP A 60 0.339 -22.184 -14.230 1.00 0.00 O ATOM 857 CB TRP A 60 -0.912 -24.634 -12.509 1.00 0.00 C ATOM 858 CG TRP A 60 -1.291 -26.068 -12.686 1.00 0.00 C ATOM 859 CD1 TRP A 60 -0.420 -27.101 -12.676 1.00 0.00 C ATOM 860 CD2 TRP A 60 -2.609 -26.648 -12.922 1.00 0.00 C ATOM 861 NE1 TRP A 60 -1.116 -28.279 -12.879 1.00 0.00 N ATOM 862 CE2 TRP A 60 -2.468 -28.052 -13.038 1.00 0.00 C ATOM 863 CE3 TRP A 60 -3.898 -26.100 -13.043 1.00 0.00 C ATOM 864 CZ2 TRP A 60 -3.566 -28.881 -13.263 1.00 0.00 C ATOM 865 CZ3 TRP A 60 -5.005 -26.934 -13.271 1.00 0.00 C ATOM 866 CH2 TRP A 60 -4.840 -28.321 -13.381 1.00 0.00 C ATOM 0 H TRP A 60 0.094 -24.364 -15.196 1.00 0.00 H new ATOM 0 HA TRP A 60 -2.416 -23.764 -13.775 1.00 0.00 H new ATOM 0 HB2 TRP A 60 0.163 -24.548 -12.353 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -1.396 -24.226 -11.622 1.00 0.00 H new ATOM 0 HD1 TRP A 60 0.647 -27.020 -12.533 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -0.683 -29.202 -12.908 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -4.038 -25.032 -12.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -3.432 -29.950 -13.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -5.991 -26.503 -13.362 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -5.696 -28.956 -13.557 1.00 0.00 H new ATOM 877 N LEU A 61 -1.423 -21.542 -12.995 1.00 0.00 N ATOM 878 CA LEU A 61 -0.948 -20.174 -12.853 1.00 0.00 C ATOM 879 C LEU A 61 -0.314 -19.991 -11.480 1.00 0.00 C ATOM 880 O LEU A 61 -0.778 -20.564 -10.495 1.00 0.00 O ATOM 881 CB LEU A 61 -2.106 -19.194 -13.037 1.00 0.00 C ATOM 882 CG LEU A 61 -1.571 -17.768 -12.978 1.00 0.00 C ATOM 883 CD1 LEU A 61 -0.544 -17.576 -14.095 1.00 0.00 C ATOM 884 CD2 LEU A 61 -2.727 -16.783 -13.172 1.00 0.00 C ATOM 0 H LEU A 61 -2.311 -21.734 -12.532 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.199 -19.974 -13.619 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.599 -19.371 -13.993 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.854 -19.347 -12.259 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.102 -17.588 -12.011 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.155 -16.558 -14.061 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.276 -18.282 -13.961 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.019 -17.751 -15.060 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.346 -15.762 -13.130 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.194 -16.957 -14.141 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.465 -16.928 -12.383 1.00 0.00 H new ATOM 896 N ASN A 62 0.752 -19.200 -11.416 1.00 0.00 N ATOM 897 CA ASN A 62 1.438 -18.965 -10.153 1.00 0.00 C ATOM 898 C ASN A 62 1.075 -17.603 -9.569 1.00 0.00 C ATOM 899 O ASN A 62 1.138 -16.582 -10.254 1.00 0.00 O ATOM 900 CB ASN A 62 2.948 -19.041 -10.369 1.00 0.00 C ATOM 901 CG ASN A 62 3.416 -20.489 -10.298 1.00 0.00 C ATOM 902 OD1 ASN A 62 3.582 -21.142 -11.328 1.00 0.00 O ATOM 903 ND2 ASN A 62 3.643 -21.033 -9.132 1.00 0.00 N ATOM 0 H ASN A 62 1.156 -18.715 -12.217 1.00 0.00 H new ATOM 0 HA ASN A 62 1.123 -19.733 -9.447 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.206 -18.615 -11.338 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.462 -18.447 -9.613 1.00 0.00 H new ATOM 0 HD21 ASN A 62 3.959 -22.001 -9.074 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.505 -20.489 -8.280 1.00 0.00 H new ATOM 910 N VAL A 63 0.706 -17.597 -8.290 1.00 0.00 N ATOM 911 CA VAL A 63 0.347 -16.358 -7.609 1.00 0.00 C ATOM 912 C VAL A 63 1.251 -16.151 -6.398 1.00 0.00 C ATOM 913 O VAL A 63 1.387 -17.040 -5.558 1.00 0.00 O ATOM 914 CB VAL A 63 -1.115 -16.410 -7.162 1.00 0.00 C ATOM 915 CG1 VAL A 63 -1.469 -15.117 -6.424 1.00 0.00 C ATOM 916 CG2 VAL A 63 -2.016 -16.558 -8.388 1.00 0.00 C ATOM 0 H VAL A 63 0.648 -18.432 -7.708 1.00 0.00 H new ATOM 0 HA VAL A 63 0.477 -15.525 -8.299 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.262 -17.261 -6.496 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.511 -15.154 -6.105 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.826 -15.009 -5.551 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.323 -14.266 -7.090 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.058 -16.595 -8.071 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.869 -15.707 -9.053 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.764 -17.478 -8.916 1.00 0.00 H new ATOM 926 N SER A 64 1.873 -14.978 -6.313 1.00 0.00 N ATOM 927 CA SER A 64 2.770 -14.678 -5.203 1.00 0.00 C ATOM 928 C SER A 64 2.826 -13.172 -4.953 1.00 0.00 C ATOM 929 O SER A 64 2.194 -12.392 -5.666 1.00 0.00 O ATOM 930 CB SER A 64 4.173 -15.198 -5.509 1.00 0.00 C ATOM 931 OG SER A 64 4.991 -15.051 -4.356 1.00 0.00 O ATOM 0 H SER A 64 1.773 -14.225 -6.994 1.00 0.00 H new ATOM 0 HA SER A 64 2.389 -15.171 -4.309 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.128 -16.246 -5.806 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.603 -14.648 -6.346 1.00 0.00 H new ATOM 0 HG SER A 64 5.892 -15.386 -4.549 1.00 0.00 H new ATOM 937 N HIS A 65 3.585 -12.771 -3.938 1.00 0.00 N ATOM 938 CA HIS A 65 3.717 -11.356 -3.602 1.00 0.00 C ATOM 939 C HIS A 65 5.185 -11.006 -3.401 1.00 0.00 C ATOM 940 O HIS A 65 6.022 -11.892 -3.224 1.00 0.00 O ATOM 941 CB HIS A 65 2.942 -11.045 -2.321 1.00 0.00 C ATOM 942 CG HIS A 65 3.660 -11.648 -1.145 1.00 0.00 C ATOM 943 ND1 HIS A 65 3.564 -12.992 -0.828 1.00 0.00 N ATOM 944 CD2 HIS A 65 4.491 -11.097 -0.201 1.00 0.00 C ATOM 945 CE1 HIS A 65 4.320 -13.206 0.265 1.00 0.00 C ATOM 946 NE2 HIS A 65 4.906 -12.084 0.690 1.00 0.00 N ATOM 0 H HIS A 65 4.116 -13.401 -3.336 1.00 0.00 H new ATOM 0 HA HIS A 65 3.311 -10.763 -4.421 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.850 -9.967 -2.191 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.931 -11.446 -2.388 1.00 0.00 H new ATOM 0 HD1 HIS A 65 3.020 -13.693 -1.331 1.00 0.00 H new ATOM 0 HD2 HIS A 65 4.779 -10.057 -0.156 1.00 0.00 H new ATOM 0 HE1 HIS A 65 4.438 -14.168 0.740 1.00 0.00 H new ATOM 954 N GLU A 66 5.502 -9.715 -3.431 1.00 0.00 N ATOM 955 CA GLU A 66 6.879 -9.276 -3.253 1.00 0.00 C ATOM 956 C GLU A 66 7.052 -8.570 -1.913 1.00 0.00 C ATOM 957 O GLU A 66 6.204 -7.779 -1.502 1.00 0.00 O ATOM 958 CB GLU A 66 7.274 -8.330 -4.390 1.00 0.00 C ATOM 959 CG GLU A 66 7.336 -9.112 -5.703 1.00 0.00 C ATOM 960 CD GLU A 66 7.806 -8.203 -6.835 1.00 0.00 C ATOM 961 OE1 GLU A 66 7.952 -8.697 -7.941 1.00 0.00 O ATOM 962 OE2 GLU A 66 8.020 -7.030 -6.577 1.00 0.00 O ATOM 0 H GLU A 66 4.830 -8.962 -3.576 1.00 0.00 H new ATOM 0 HA GLU A 66 7.525 -10.154 -3.269 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.550 -7.519 -4.471 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.242 -7.874 -4.179 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.016 -9.958 -5.600 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.353 -9.520 -5.939 1.00 0.00 H new ATOM 969 N ALA A 67 8.159 -8.864 -1.238 1.00 0.00 N ATOM 970 CA ALA A 67 8.439 -8.255 0.056 1.00 0.00 C ATOM 971 C ALA A 67 9.680 -7.372 -0.024 1.00 0.00 C ATOM 972 O ALA A 67 10.265 -7.301 -1.092 1.00 0.00 O ATOM 973 CB ALA A 67 8.651 -9.343 1.109 1.00 0.00 C ATOM 0 H ALA A 67 8.872 -9.516 -1.564 1.00 0.00 H new ATOM 0 HA ALA A 67 7.586 -7.637 0.338 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.860 -8.880 2.073 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.752 -9.954 1.187 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.493 -9.972 0.818 1.00 0.00 H new TER 979 ALA A 67