USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 744 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 24 MET CE :methyl -179:sc= -0.266 (180deg=-0.0519) USER MOD Set 1.2: A 79 GLN : amide:sc= -0.222 K(o=-0.49,f=-1.6) USER MOD Set 2.1: A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 74 SER OG : rot 130:sc= 0 USER MOD Set 3.1: A 34 ASN : amide:sc= 0.328 K(o=0.63,f=0) USER MOD Set 3.2: A 36 SER OG : rot 180:sc= 0.305 USER MOD Set 4.1: A 28 CYS SG : rot 94:sc= 0.964 USER MOD Set 4.2: A 32 MET CE :methyl -159:sc= -1.41 (180deg=-1.27) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0722 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN :FLIP amide:sc= -1.28 F(o=-3.6,f=-1.3) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 1 K(o=1,f=-0.84) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.275 K(o=-0.27,f=-2.6!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0.0263 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -1.63 K(o=-1.6,f=-2.8!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 179:sc= -2.46 (180deg=-2.48) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.0579 USER MOD Single : A 72 THR OG1 : rot -150:sc= 0.0474 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc=-0.00584 X(o=-0.0058,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.124 11.192 14.901 1.00 0.00 N ATOM 2 CA GLY A 1 -10.828 12.005 13.716 1.00 0.00 C ATOM 3 C GLY A 1 -9.983 11.265 12.692 1.00 0.00 C ATOM 4 O GLY A 1 -9.818 10.047 12.774 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.154 11.112 15.019 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.715 10.243 14.782 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.713 11.643 15.743 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.764 12.317 13.252 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.307 12.912 14.024 1.00 0.00 H new ATOM 8 N HIS A 2 -9.454 11.994 11.703 1.00 0.00 N ATOM 9 CA HIS A 2 -8.544 11.490 10.669 1.00 0.00 C ATOM 10 C HIS A 2 -7.604 12.569 10.098 1.00 0.00 C ATOM 11 O HIS A 2 -6.687 12.239 9.346 1.00 0.00 O ATOM 12 CB HIS A 2 -9.347 10.827 9.536 1.00 0.00 C ATOM 13 CG HIS A 2 -10.285 11.751 8.795 1.00 0.00 C ATOM 14 ND1 HIS A 2 -10.190 12.106 7.469 1.00 0.00 N ATOM 15 CD2 HIS A 2 -11.418 12.332 9.298 1.00 0.00 C ATOM 16 CE1 HIS A 2 -11.246 12.879 7.175 1.00 0.00 C ATOM 17 NE2 HIS A 2 -12.013 13.070 8.270 1.00 0.00 N ATOM 0 H HIS A 2 -9.656 12.988 11.597 1.00 0.00 H new ATOM 0 HA HIS A 2 -7.904 10.752 11.153 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -8.648 10.393 8.821 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -9.927 10.004 9.955 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -11.787 12.237 10.309 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -11.454 13.291 6.199 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -12.857 13.639 8.334 1.00 0.00 H new ATOM 25 N ILE A 3 -7.772 13.851 10.455 1.00 0.00 N ATOM 26 CA ILE A 3 -6.918 14.953 9.992 1.00 0.00 C ATOM 27 C ILE A 3 -5.593 15.013 10.782 1.00 0.00 C ATOM 28 O ILE A 3 -5.246 16.032 11.385 1.00 0.00 O ATOM 29 CB ILE A 3 -7.715 16.283 9.951 1.00 0.00 C ATOM 30 CG1 ILE A 3 -8.359 16.657 11.308 1.00 0.00 C ATOM 31 CG2 ILE A 3 -8.784 16.177 8.844 1.00 0.00 C ATOM 32 CD1 ILE A 3 -8.931 18.078 11.358 1.00 0.00 C ATOM 0 H ILE A 3 -8.516 14.155 11.083 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.613 14.765 8.962 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.014 17.089 9.733 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.157 15.948 11.527 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.612 16.550 12.095 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.355 17.104 8.800 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.298 16.005 7.884 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -9.455 15.347 9.065 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.364 18.262 12.341 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.134 18.798 11.172 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.703 18.187 10.596 1.00 0.00 H new ATOM 44 N SER A 4 -4.862 13.901 10.822 1.00 0.00 N ATOM 45 CA SER A 4 -3.594 13.715 11.517 1.00 0.00 C ATOM 46 C SER A 4 -2.951 12.409 11.016 1.00 0.00 C ATOM 47 O SER A 4 -3.581 11.654 10.265 1.00 0.00 O ATOM 48 CB SER A 4 -3.824 13.713 13.044 1.00 0.00 C ATOM 49 OG SER A 4 -5.107 13.223 13.429 1.00 0.00 O ATOM 0 H SER A 4 -5.160 13.054 10.339 1.00 0.00 H new ATOM 0 HA SER A 4 -2.910 14.537 11.305 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.055 13.103 13.518 1.00 0.00 H new ATOM 0 HB3 SER A 4 -3.704 14.728 13.422 1.00 0.00 H new ATOM 0 HG SER A 4 -5.187 13.247 14.405 1.00 0.00 H new ATOM 55 N GLY A 5 -1.732 12.112 11.459 1.00 0.00 N ATOM 56 CA GLY A 5 -0.999 10.890 11.163 1.00 0.00 C ATOM 57 C GLY A 5 0.072 10.663 12.228 1.00 0.00 C ATOM 58 O GLY A 5 -0.138 10.984 13.401 1.00 0.00 O ATOM 0 H GLY A 5 -1.207 12.747 12.061 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -1.683 10.042 11.134 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.537 10.961 10.178 1.00 0.00 H new ATOM 62 N ALA A 6 1.214 10.096 11.836 1.00 0.00 N ATOM 63 CA ALA A 6 2.346 9.817 12.717 1.00 0.00 C ATOM 64 C ALA A 6 3.658 10.235 12.050 1.00 0.00 C ATOM 65 O ALA A 6 4.583 9.431 11.921 1.00 0.00 O ATOM 66 CB ALA A 6 2.360 8.328 13.072 1.00 0.00 C ATOM 0 H ALA A 6 1.380 9.811 10.871 1.00 0.00 H new ATOM 0 HA ALA A 6 2.241 10.395 13.635 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.204 8.119 13.729 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.431 8.066 13.579 1.00 0.00 H new ATOM 0 HB3 ALA A 6 2.455 7.738 12.161 1.00 0.00 H new ATOM 72 N THR A 7 3.757 11.478 11.587 1.00 0.00 N ATOM 73 CA THR A 7 4.992 12.003 11.022 1.00 0.00 C ATOM 74 C THR A 7 5.239 13.415 11.579 1.00 0.00 C ATOM 75 O THR A 7 4.287 14.158 11.843 1.00 0.00 O ATOM 76 CB THR A 7 4.948 11.897 9.485 1.00 0.00 C ATOM 77 OG1 THR A 7 3.858 12.598 8.914 1.00 0.00 O ATOM 78 CG2 THR A 7 4.859 10.447 8.987 1.00 0.00 C ATOM 0 H THR A 7 2.986 12.146 11.594 1.00 0.00 H new ATOM 0 HA THR A 7 5.858 11.412 11.321 1.00 0.00 H new ATOM 0 HB THR A 7 5.889 12.345 9.167 1.00 0.00 H new ATOM 0 HG1 THR A 7 3.880 12.499 7.939 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.831 10.438 7.897 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.730 9.889 9.333 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.953 9.983 9.377 1.00 0.00 H new ATOM 86 N SER A 8 6.510 13.749 11.817 1.00 0.00 N ATOM 87 CA SER A 8 6.999 15.019 12.356 1.00 0.00 C ATOM 88 C SER A 8 8.365 15.314 11.714 1.00 0.00 C ATOM 89 O SER A 8 8.821 14.531 10.875 1.00 0.00 O ATOM 90 CB SER A 8 7.146 14.920 13.888 1.00 0.00 C ATOM 91 OG SER A 8 5.989 14.389 14.515 1.00 0.00 O ATOM 0 H SER A 8 7.272 13.098 11.626 1.00 0.00 H new ATOM 0 HA SER A 8 6.295 15.821 12.131 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.004 14.292 14.127 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.352 15.910 14.294 1.00 0.00 H new ATOM 0 HG SER A 8 6.133 14.345 15.483 1.00 0.00 H new ATOM 97 N VAL A 9 9.033 16.390 12.125 1.00 0.00 N ATOM 98 CA VAL A 9 10.454 16.617 11.939 1.00 0.00 C ATOM 99 C VAL A 9 11.102 16.586 13.327 1.00 0.00 C ATOM 100 O VAL A 9 11.418 17.622 13.913 1.00 0.00 O ATOM 101 CB VAL A 9 10.689 17.916 11.146 1.00 0.00 C ATOM 102 CG1 VAL A 9 10.400 17.698 9.658 1.00 0.00 C ATOM 103 CG2 VAL A 9 9.886 19.145 11.595 1.00 0.00 C ATOM 0 H VAL A 9 8.574 17.157 12.617 1.00 0.00 H new ATOM 0 HA VAL A 9 10.924 15.841 11.335 1.00 0.00 H new ATOM 0 HB VAL A 9 11.737 18.141 11.345 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.572 18.627 9.114 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.060 16.923 9.269 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.362 17.389 9.530 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.138 19.995 10.961 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.820 18.933 11.512 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.129 19.380 12.631 1.00 0.00 H new ATOM 113 N ASP A 10 11.220 15.386 13.893 1.00 0.00 N ATOM 114 CA ASP A 10 11.841 15.148 15.189 1.00 0.00 C ATOM 115 C ASP A 10 12.313 13.701 15.237 1.00 0.00 C ATOM 116 O ASP A 10 11.486 12.786 15.246 1.00 0.00 O ATOM 117 CB ASP A 10 10.854 15.419 16.327 1.00 0.00 C ATOM 118 CG ASP A 10 11.470 15.026 17.667 1.00 0.00 C ATOM 119 OD1 ASP A 10 12.427 15.695 18.114 1.00 0.00 O ATOM 120 OD2 ASP A 10 11.003 14.057 18.298 1.00 0.00 O ATOM 0 H ASP A 10 10.877 14.534 13.450 1.00 0.00 H new ATOM 0 HA ASP A 10 12.686 15.825 15.316 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.583 16.475 16.339 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.935 14.856 16.162 1.00 0.00 H new ATOM 125 N GLN A 11 13.621 13.458 15.165 1.00 0.00 N ATOM 126 CA GLN A 11 14.198 12.124 15.291 1.00 0.00 C ATOM 127 C GLN A 11 15.626 12.256 15.835 1.00 0.00 C ATOM 128 O GLN A 11 16.197 13.345 15.816 1.00 0.00 O ATOM 129 CB GLN A 11 14.199 11.445 13.906 1.00 0.00 C ATOM 130 CG GLN A 11 14.326 9.913 13.940 1.00 0.00 C ATOM 131 CD GLN A 11 14.777 9.332 12.599 1.00 0.00 C ATOM 132 OE1 GLN A 11 16.051 9.438 12.241 1.00 0.00 O flip ATOM 133 NE2 GLN A 11 13.993 8.739 11.874 1.00 0.00 N flip ATOM 0 H GLN A 11 14.315 14.190 15.016 1.00 0.00 H new ATOM 0 HA GLN A 11 13.613 11.513 15.978 1.00 0.00 H new ATOM 0 HB2 GLN A 11 13.277 11.708 13.387 1.00 0.00 H new ATOM 0 HB3 GLN A 11 15.022 11.851 13.318 1.00 0.00 H new ATOM 0 HG2 GLN A 11 15.039 9.628 14.714 1.00 0.00 H new ATOM 0 HG3 GLN A 11 13.365 9.478 14.216 1.00 0.00 H new ATOM 0 HE21 GLN A 11 13.013 8.654 12.144 1.00 0.00 H new ATOM 0 HE22 GLN A 11 14.318 8.328 10.999 1.00 0.00 H new ATOM 142 N ARG A 12 16.243 11.158 16.282 1.00 0.00 N ATOM 143 CA ARG A 12 17.681 11.089 16.572 1.00 0.00 C ATOM 144 C ARG A 12 18.332 9.829 15.999 1.00 0.00 C ATOM 145 O ARG A 12 19.457 9.515 16.371 1.00 0.00 O ATOM 146 CB ARG A 12 17.930 11.253 18.084 1.00 0.00 C ATOM 147 CG ARG A 12 17.468 10.065 18.944 1.00 0.00 C ATOM 148 CD ARG A 12 17.646 10.404 20.422 1.00 0.00 C ATOM 149 NE ARG A 12 17.498 9.230 21.290 1.00 0.00 N ATOM 150 CZ ARG A 12 17.614 9.258 22.622 1.00 0.00 C ATOM 151 NH1 ARG A 12 17.797 10.411 23.260 1.00 0.00 N ATOM 152 NH2 ARG A 12 17.544 8.124 23.306 1.00 0.00 N ATOM 0 H ARG A 12 15.753 10.280 16.455 1.00 0.00 H new ATOM 0 HA ARG A 12 18.168 11.921 16.064 1.00 0.00 H new ATOM 0 HB2 ARG A 12 18.996 11.410 18.248 1.00 0.00 H new ATOM 0 HB3 ARG A 12 17.419 12.153 18.427 1.00 0.00 H new ATOM 0 HG2 ARG A 12 16.423 9.837 18.736 1.00 0.00 H new ATOM 0 HG3 ARG A 12 18.045 9.175 18.693 1.00 0.00 H new ATOM 0 HD2 ARG A 12 18.632 10.843 20.575 1.00 0.00 H new ATOM 0 HD3 ARG A 12 16.914 11.159 20.709 1.00 0.00 H new ATOM 0 HE ARG A 12 17.293 8.334 20.848 1.00 0.00 H new ATOM 0 HH11 ARG A 12 17.850 11.283 22.733 1.00 0.00 H new ATOM 0 HH12 ARG A 12 17.884 10.423 24.276 1.00 0.00 H new ATOM 0 HH21 ARG A 12 17.403 7.241 22.816 1.00 0.00 H new ATOM 0 HH22 ARG A 12 17.631 8.135 24.322 1.00 0.00 H new ATOM 166 N SER A 13 17.624 9.087 15.147 1.00 0.00 N ATOM 167 CA SER A 13 18.112 7.884 14.473 1.00 0.00 C ATOM 168 C SER A 13 18.748 8.289 13.140 1.00 0.00 C ATOM 169 O SER A 13 18.753 9.479 12.801 1.00 0.00 O ATOM 170 CB SER A 13 16.957 6.903 14.204 1.00 0.00 C ATOM 171 OG SER A 13 16.040 6.788 15.273 1.00 0.00 O ATOM 0 H SER A 13 16.661 9.315 14.899 1.00 0.00 H new ATOM 0 HA SER A 13 18.844 7.392 15.113 1.00 0.00 H new ATOM 0 HB2 SER A 13 16.420 7.225 13.312 1.00 0.00 H new ATOM 0 HB3 SER A 13 17.373 5.919 13.988 1.00 0.00 H new ATOM 0 HG SER A 13 15.335 6.152 15.032 1.00 0.00 H new ATOM 177 N LEU A 14 19.189 7.323 12.329 1.00 0.00 N ATOM 178 CA LEU A 14 19.944 7.621 11.114 1.00 0.00 C ATOM 179 C LEU A 14 19.116 7.954 9.858 1.00 0.00 C ATOM 180 O LEU A 14 19.683 8.239 8.803 1.00 0.00 O ATOM 181 CB LEU A 14 20.983 6.520 10.828 1.00 0.00 C ATOM 182 CG LEU A 14 22.402 7.080 10.599 1.00 0.00 C ATOM 183 CD1 LEU A 14 22.443 8.228 9.588 1.00 0.00 C ATOM 184 CD2 LEU A 14 23.025 7.569 11.912 1.00 0.00 C ATOM 0 H LEU A 14 19.035 6.328 12.494 1.00 0.00 H new ATOM 0 HA LEU A 14 20.451 8.559 11.340 1.00 0.00 H new ATOM 0 HB2 LEU A 14 21.004 5.821 11.664 1.00 0.00 H new ATOM 0 HB3 LEU A 14 20.674 5.955 9.948 1.00 0.00 H new ATOM 0 HG LEU A 14 22.976 6.247 10.193 1.00 0.00 H new ATOM 0 HD11 LEU A 14 23.470 8.576 9.474 1.00 0.00 H new ATOM 0 HD12 LEU A 14 22.069 7.879 8.626 1.00 0.00 H new ATOM 0 HD13 LEU A 14 21.820 9.048 9.944 1.00 0.00 H new ATOM 0 HD21 LEU A 14 24.025 7.958 11.718 1.00 0.00 H new ATOM 0 HD22 LEU A 14 22.405 8.358 12.337 1.00 0.00 H new ATOM 0 HD23 LEU A 14 23.089 6.739 12.616 1.00 0.00 H new ATOM 196 N ILE A 15 17.784 7.974 9.927 1.00 0.00 N ATOM 197 CA ILE A 15 16.952 8.392 8.785 1.00 0.00 C ATOM 198 C ILE A 15 16.125 9.631 9.096 1.00 0.00 C ATOM 199 O ILE A 15 14.919 9.705 8.857 1.00 0.00 O ATOM 200 CB ILE A 15 16.162 7.245 8.167 1.00 0.00 C ATOM 201 CG1 ILE A 15 15.241 6.525 9.170 1.00 0.00 C ATOM 202 CG2 ILE A 15 17.147 6.265 7.507 1.00 0.00 C ATOM 203 CD1 ILE A 15 14.465 5.385 8.507 1.00 0.00 C ATOM 0 H ILE A 15 17.254 7.707 10.757 1.00 0.00 H new ATOM 0 HA ILE A 15 17.637 8.698 7.994 1.00 0.00 H new ATOM 0 HB ILE A 15 15.492 7.665 7.417 1.00 0.00 H new ATOM 0 HG12 ILE A 15 15.837 6.130 9.993 1.00 0.00 H new ATOM 0 HG13 ILE A 15 14.540 7.241 9.600 1.00 0.00 H new ATOM 0 HG21 ILE A 15 16.594 5.439 7.061 1.00 0.00 H new ATOM 0 HG22 ILE A 15 17.712 6.784 6.733 1.00 0.00 H new ATOM 0 HG23 ILE A 15 17.834 5.877 8.259 1.00 0.00 H new ATOM 0 HD11 ILE A 15 13.827 4.901 9.246 1.00 0.00 H new ATOM 0 HD12 ILE A 15 13.849 5.784 7.701 1.00 0.00 H new ATOM 0 HD13 ILE A 15 15.166 4.656 8.100 1.00 0.00 H new ATOM 215 N ASN A 16 16.800 10.626 9.668 1.00 0.00 N ATOM 216 CA ASN A 16 16.172 11.890 10.025 1.00 0.00 C ATOM 217 C ASN A 16 16.169 12.858 8.847 1.00 0.00 C ATOM 218 O ASN A 16 15.463 13.862 8.885 1.00 0.00 O ATOM 219 CB ASN A 16 16.880 12.545 11.228 1.00 0.00 C ATOM 220 CG ASN A 16 18.359 12.777 10.976 1.00 0.00 C ATOM 221 OD1 ASN A 16 18.776 13.707 10.299 1.00 0.00 O ATOM 222 ND2 ASN A 16 19.200 11.907 11.501 1.00 0.00 N ATOM 0 H ASN A 16 17.793 10.576 9.895 1.00 0.00 H new ATOM 0 HA ASN A 16 15.141 11.668 10.301 1.00 0.00 H new ATOM 0 HB2 ASN A 16 16.400 13.497 11.454 1.00 0.00 H new ATOM 0 HB3 ASN A 16 16.759 11.911 12.106 1.00 0.00 H new ATOM 0 HD21 ASN A 16 20.203 12.008 11.343 1.00 0.00 H new ATOM 0 HD22 ASN A 16 18.848 11.133 12.065 1.00 0.00 H new ATOM 229 N SER A 17 16.937 12.577 7.796 1.00 0.00 N ATOM 230 CA SER A 17 17.080 13.433 6.620 1.00 0.00 C ATOM 231 C SER A 17 17.884 12.689 5.541 1.00 0.00 C ATOM 232 O SER A 17 18.694 13.274 4.815 1.00 0.00 O ATOM 233 CB SER A 17 17.680 14.798 7.031 1.00 0.00 C ATOM 234 OG SER A 17 16.896 15.849 6.492 1.00 0.00 O ATOM 0 H SER A 17 17.493 11.724 7.737 1.00 0.00 H new ATOM 0 HA SER A 17 16.108 13.656 6.179 1.00 0.00 H new ATOM 0 HB2 SER A 17 17.714 14.878 8.118 1.00 0.00 H new ATOM 0 HB3 SER A 17 18.706 14.877 6.673 1.00 0.00 H new ATOM 0 HG SER A 17 17.279 16.711 6.756 1.00 0.00 H new ATOM 240 N ASN A 18 17.719 11.366 5.494 1.00 0.00 N ATOM 241 CA ASN A 18 18.086 10.488 4.396 1.00 0.00 C ATOM 242 C ASN A 18 16.948 9.480 4.356 1.00 0.00 C ATOM 243 O ASN A 18 16.933 8.537 5.146 1.00 0.00 O ATOM 244 CB ASN A 18 19.447 9.804 4.617 1.00 0.00 C ATOM 245 CG ASN A 18 19.793 8.815 3.501 1.00 0.00 C ATOM 246 OD1 ASN A 18 19.029 8.609 2.558 1.00 0.00 O ATOM 247 ND2 ASN A 18 20.978 8.227 3.554 1.00 0.00 N ATOM 0 H ASN A 18 17.300 10.854 6.271 1.00 0.00 H new ATOM 0 HA ASN A 18 18.211 11.029 3.458 1.00 0.00 H new ATOM 0 HB2 ASN A 18 20.226 10.564 4.679 1.00 0.00 H new ATOM 0 HB3 ASN A 18 19.436 9.280 5.572 1.00 0.00 H new ATOM 0 HD21 ASN A 18 21.267 7.595 2.808 1.00 0.00 H new ATOM 0 HD22 ASN A 18 21.602 8.406 4.341 1.00 0.00 H new ATOM 254 N VAL A 19 15.936 9.768 3.544 1.00 0.00 N ATOM 255 CA VAL A 19 14.748 8.954 3.358 1.00 0.00 C ATOM 256 C VAL A 19 14.523 8.941 1.851 1.00 0.00 C ATOM 257 O VAL A 19 14.401 10.006 1.235 1.00 0.00 O ATOM 258 CB VAL A 19 13.548 9.542 4.134 1.00 0.00 C ATOM 259 CG1 VAL A 19 12.280 8.694 3.973 1.00 0.00 C ATOM 260 CG2 VAL A 19 13.828 9.665 5.641 1.00 0.00 C ATOM 0 H VAL A 19 15.925 10.614 2.974 1.00 0.00 H new ATOM 0 HA VAL A 19 14.863 7.942 3.747 1.00 0.00 H new ATOM 0 HB VAL A 19 13.395 10.531 3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.465 9.148 4.537 1.00 0.00 H new ATOM 0 HG12 VAL A 19 12.008 8.643 2.919 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.465 7.688 4.349 1.00 0.00 H new ATOM 0 HG21 VAL A 19 12.954 10.083 6.141 1.00 0.00 H new ATOM 0 HG22 VAL A 19 14.044 8.679 6.053 1.00 0.00 H new ATOM 0 HG23 VAL A 19 14.685 10.320 5.800 1.00 0.00 H new ATOM 270 N GLY A 20 14.497 7.759 1.254 1.00 0.00 N ATOM 271 CA GLY A 20 14.311 7.555 -0.169 1.00 0.00 C ATOM 272 C GLY A 20 14.066 6.086 -0.428 1.00 0.00 C ATOM 273 O GLY A 20 12.975 5.597 -0.136 1.00 0.00 O ATOM 0 H GLY A 20 14.609 6.886 1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 20 13.468 8.146 -0.527 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.192 7.892 -0.716 1.00 0.00 H new ATOM 277 N PHE A 21 15.061 5.357 -0.923 1.00 0.00 N ATOM 278 CA PHE A 21 14.928 3.935 -1.233 1.00 0.00 C ATOM 279 C PHE A 21 16.145 3.197 -0.679 1.00 0.00 C ATOM 280 O PHE A 21 17.268 3.699 -0.795 1.00 0.00 O ATOM 281 CB PHE A 21 14.799 3.726 -2.749 1.00 0.00 C ATOM 282 CG PHE A 21 13.400 3.954 -3.308 1.00 0.00 C ATOM 283 CD1 PHE A 21 12.876 5.258 -3.417 1.00 0.00 C ATOM 284 CD2 PHE A 21 12.627 2.863 -3.751 1.00 0.00 C ATOM 285 CE1 PHE A 21 11.586 5.466 -3.934 1.00 0.00 C ATOM 286 CE2 PHE A 21 11.332 3.073 -4.256 1.00 0.00 C ATOM 287 CZ PHE A 21 10.807 4.371 -4.342 1.00 0.00 C ATOM 0 H PHE A 21 15.987 5.736 -1.122 1.00 0.00 H new ATOM 0 HA PHE A 21 14.025 3.538 -0.770 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.491 4.399 -3.255 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.110 2.709 -2.989 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.470 6.103 -3.101 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.030 1.862 -3.703 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.193 6.469 -4.018 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.738 2.231 -4.579 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.808 4.528 -4.720 1.00 0.00 H new ATOM 297 N VAL A 22 15.925 2.020 -0.089 1.00 0.00 N ATOM 298 CA VAL A 22 16.965 1.238 0.576 1.00 0.00 C ATOM 299 C VAL A 22 16.813 -0.224 0.149 1.00 0.00 C ATOM 300 O VAL A 22 15.694 -0.724 -0.015 1.00 0.00 O ATOM 301 CB VAL A 22 16.887 1.451 2.110 1.00 0.00 C ATOM 302 CG1 VAL A 22 17.945 0.638 2.872 1.00 0.00 C ATOM 303 CG2 VAL A 22 17.074 2.927 2.499 1.00 0.00 C ATOM 0 H VAL A 22 15.006 1.579 -0.060 1.00 0.00 H new ATOM 0 HA VAL A 22 17.962 1.565 0.281 1.00 0.00 H new ATOM 0 HB VAL A 22 15.890 1.111 2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 22 17.846 0.824 3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 22 17.800 -0.424 2.673 1.00 0.00 H new ATOM 0 HG13 VAL A 22 18.940 0.937 2.542 1.00 0.00 H new ATOM 0 HG21 VAL A 22 17.012 3.028 3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 22 18.050 3.272 2.158 1.00 0.00 H new ATOM 0 HG23 VAL A 22 16.293 3.528 2.033 1.00 0.00 H new ATOM 313 N THR A 23 17.937 -0.907 -0.051 1.00 0.00 N ATOM 314 CA THR A 23 17.983 -2.312 -0.417 1.00 0.00 C ATOM 315 C THR A 23 17.571 -3.182 0.788 1.00 0.00 C ATOM 316 O THR A 23 17.948 -2.904 1.930 1.00 0.00 O ATOM 317 CB THR A 23 19.396 -2.666 -0.933 1.00 0.00 C ATOM 318 OG1 THR A 23 19.897 -1.668 -1.811 1.00 0.00 O ATOM 319 CG2 THR A 23 19.438 -4.005 -1.680 1.00 0.00 C ATOM 0 H THR A 23 18.861 -0.485 0.040 1.00 0.00 H new ATOM 0 HA THR A 23 17.275 -2.512 -1.221 1.00 0.00 H new ATOM 0 HB THR A 23 20.016 -2.734 -0.039 1.00 0.00 H new ATOM 0 HG1 THR A 23 20.793 -1.922 -2.118 1.00 0.00 H new ATOM 0 HG21 THR A 23 20.455 -4.201 -2.019 1.00 0.00 H new ATOM 0 HG22 THR A 23 19.118 -4.805 -1.012 1.00 0.00 H new ATOM 0 HG23 THR A 23 18.771 -3.963 -2.541 1.00 0.00 H new ATOM 327 N MET A 24 16.834 -4.270 0.551 1.00 0.00 N ATOM 328 CA MET A 24 16.614 -5.335 1.520 1.00 0.00 C ATOM 329 C MET A 24 17.216 -6.609 0.942 1.00 0.00 C ATOM 330 O MET A 24 17.425 -6.725 -0.270 1.00 0.00 O ATOM 331 CB MET A 24 15.136 -5.522 1.876 1.00 0.00 C ATOM 332 CG MET A 24 14.456 -4.214 2.273 1.00 0.00 C ATOM 333 SD MET A 24 12.663 -4.314 2.512 1.00 0.00 S ATOM 334 CE MET A 24 12.617 -5.225 4.067 1.00 0.00 C ATOM 0 H MET A 24 16.366 -4.434 -0.340 1.00 0.00 H new ATOM 0 HA MET A 24 17.099 -5.072 2.460 1.00 0.00 H new ATOM 0 HB2 MET A 24 14.613 -5.954 1.023 1.00 0.00 H new ATOM 0 HB3 MET A 24 15.051 -6.234 2.697 1.00 0.00 H new ATOM 0 HG2 MET A 24 14.909 -3.854 3.197 1.00 0.00 H new ATOM 0 HG3 MET A 24 14.662 -3.469 1.505 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.581 -5.394 4.359 1.00 0.00 H new ATOM 0 HE2 MET A 24 13.120 -6.184 3.942 1.00 0.00 H new ATOM 0 HE3 MET A 24 13.123 -4.649 4.842 1.00 0.00 H new ATOM 344 N ILE A 25 17.488 -7.552 1.830 1.00 0.00 N ATOM 345 CA ILE A 25 18.282 -8.750 1.588 1.00 0.00 C ATOM 346 C ILE A 25 17.406 -9.944 1.948 1.00 0.00 C ATOM 347 O ILE A 25 16.907 -10.041 3.071 1.00 0.00 O ATOM 348 CB ILE A 25 19.598 -8.719 2.407 1.00 0.00 C ATOM 349 CG1 ILE A 25 20.401 -7.398 2.293 1.00 0.00 C ATOM 350 CG2 ILE A 25 20.501 -9.916 2.043 1.00 0.00 C ATOM 351 CD1 ILE A 25 20.903 -7.043 0.886 1.00 0.00 C ATOM 0 H ILE A 25 17.144 -7.501 2.789 1.00 0.00 H new ATOM 0 HA ILE A 25 18.586 -8.816 0.543 1.00 0.00 H new ATOM 0 HB ILE A 25 19.282 -8.789 3.448 1.00 0.00 H new ATOM 0 HG12 ILE A 25 19.775 -6.581 2.652 1.00 0.00 H new ATOM 0 HG13 ILE A 25 21.260 -7.458 2.961 1.00 0.00 H new ATOM 0 HG21 ILE A 25 21.418 -9.872 2.631 1.00 0.00 H new ATOM 0 HG22 ILE A 25 19.976 -10.847 2.259 1.00 0.00 H new ATOM 0 HG23 ILE A 25 20.748 -9.876 0.982 1.00 0.00 H new ATOM 0 HD11 ILE A 25 21.451 -6.101 0.922 1.00 0.00 H new ATOM 0 HD12 ILE A 25 21.562 -7.833 0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 25 20.053 -6.943 0.211 1.00 0.00 H new ATOM 363 N LEU A 26 17.208 -10.844 0.989 1.00 0.00 N ATOM 364 CA LEU A 26 16.425 -12.062 1.119 1.00 0.00 C ATOM 365 C LEU A 26 17.370 -13.226 0.875 1.00 0.00 C ATOM 366 O LEU A 26 18.121 -13.225 -0.105 1.00 0.00 O ATOM 367 CB LEU A 26 15.285 -12.060 0.084 1.00 0.00 C ATOM 368 CG LEU A 26 13.960 -11.551 0.665 1.00 0.00 C ATOM 369 CD1 LEU A 26 14.060 -10.065 1.046 1.00 0.00 C ATOM 370 CD2 LEU A 26 12.852 -11.767 -0.369 1.00 0.00 C ATOM 0 H LEU A 26 17.609 -10.736 0.058 1.00 0.00 H new ATOM 0 HA LEU A 26 15.974 -12.140 2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 26 15.570 -11.436 -0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.145 -13.071 -0.298 1.00 0.00 H new ATOM 0 HG LEU A 26 13.729 -12.107 1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.107 -9.729 1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.843 -9.933 1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.301 -9.478 0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.904 -11.409 0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.091 -11.217 -1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.770 -12.829 -0.598 1.00 0.00 H new ATOM 382 N GLN A 27 17.323 -14.235 1.737 1.00 0.00 N ATOM 383 CA GLN A 27 17.984 -15.506 1.491 1.00 0.00 C ATOM 384 C GLN A 27 16.996 -16.620 1.760 1.00 0.00 C ATOM 385 O GLN A 27 16.047 -16.454 2.530 1.00 0.00 O ATOM 386 CB GLN A 27 19.249 -15.661 2.341 1.00 0.00 C ATOM 387 CG GLN A 27 20.324 -14.664 1.905 1.00 0.00 C ATOM 388 CD GLN A 27 21.709 -15.113 2.351 1.00 0.00 C ATOM 389 OE1 GLN A 27 22.153 -14.842 3.461 1.00 0.00 O ATOM 390 NE2 GLN A 27 22.408 -15.837 1.491 1.00 0.00 N ATOM 0 H GLN A 27 16.825 -14.193 2.626 1.00 0.00 H new ATOM 0 HA GLN A 27 18.309 -15.549 0.451 1.00 0.00 H new ATOM 0 HB2 GLN A 27 19.007 -15.505 3.392 1.00 0.00 H new ATOM 0 HB3 GLN A 27 19.631 -16.678 2.250 1.00 0.00 H new ATOM 0 HG2 GLN A 27 20.306 -14.558 0.820 1.00 0.00 H new ATOM 0 HG3 GLN A 27 20.105 -13.683 2.325 1.00 0.00 H new ATOM 0 HE21 GLN A 27 22.021 -16.052 0.572 1.00 0.00 H new ATOM 0 HE22 GLN A 27 23.334 -16.180 1.747 1.00 0.00 H new ATOM 399 N CYS A 28 17.248 -17.764 1.136 1.00 0.00 N ATOM 400 CA CYS A 28 16.395 -18.936 1.196 1.00 0.00 C ATOM 401 C CYS A 28 17.247 -20.192 1.312 1.00 0.00 C ATOM 402 O CYS A 28 18.317 -20.283 0.707 1.00 0.00 O ATOM 403 CB CYS A 28 15.515 -18.998 -0.063 1.00 0.00 C ATOM 404 SG CYS A 28 16.436 -18.644 -1.585 1.00 0.00 S ATOM 0 H CYS A 28 18.077 -17.902 0.558 1.00 0.00 H new ATOM 0 HA CYS A 28 15.751 -18.871 2.073 1.00 0.00 H new ATOM 0 HB2 CYS A 28 15.066 -19.988 -0.138 1.00 0.00 H new ATOM 0 HB3 CYS A 28 14.697 -18.284 0.036 1.00 0.00 H new ATOM 0 HG CYS A 28 16.835 -19.760 -2.120 1.00 0.00 H new ATOM 410 N SER A 29 16.736 -21.208 2.003 1.00 0.00 N ATOM 411 CA SER A 29 17.395 -22.502 2.145 1.00 0.00 C ATOM 412 C SER A 29 17.427 -23.311 0.831 1.00 0.00 C ATOM 413 O SER A 29 17.844 -24.467 0.856 1.00 0.00 O ATOM 414 CB SER A 29 16.690 -23.312 3.243 1.00 0.00 C ATOM 415 OG SER A 29 16.142 -22.503 4.273 1.00 0.00 O ATOM 0 H SER A 29 15.840 -21.154 2.487 1.00 0.00 H new ATOM 0 HA SER A 29 18.433 -22.310 2.418 1.00 0.00 H new ATOM 0 HB2 SER A 29 15.893 -23.904 2.793 1.00 0.00 H new ATOM 0 HB3 SER A 29 17.401 -24.013 3.680 1.00 0.00 H new ATOM 0 HG SER A 29 15.706 -23.073 4.940 1.00 0.00 H new ATOM 421 N ILE A 30 16.917 -22.780 -0.290 1.00 0.00 N ATOM 422 CA ILE A 30 16.679 -23.510 -1.540 1.00 0.00 C ATOM 423 C ILE A 30 17.064 -22.623 -2.731 1.00 0.00 C ATOM 424 O ILE A 30 17.210 -21.408 -2.571 1.00 0.00 O ATOM 425 CB ILE A 30 15.229 -24.066 -1.624 1.00 0.00 C ATOM 426 CG1 ILE A 30 14.100 -23.028 -1.826 1.00 0.00 C ATOM 427 CG2 ILE A 30 14.884 -24.911 -0.379 1.00 0.00 C ATOM 428 CD1 ILE A 30 13.925 -22.530 -3.264 1.00 0.00 C ATOM 0 H ILE A 30 16.651 -21.797 -0.351 1.00 0.00 H new ATOM 0 HA ILE A 30 17.317 -24.393 -1.567 1.00 0.00 H new ATOM 0 HB ILE A 30 15.255 -24.666 -2.534 1.00 0.00 H new ATOM 0 HG12 ILE A 30 13.160 -23.468 -1.493 1.00 0.00 H new ATOM 0 HG13 ILE A 30 14.296 -22.171 -1.182 1.00 0.00 H new ATOM 0 HG21 ILE A 30 13.864 -25.287 -0.465 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.575 -25.751 -0.306 1.00 0.00 H new ATOM 0 HG23 ILE A 30 14.969 -24.293 0.515 1.00 0.00 H new ATOM 0 HD11 ILE A 30 13.110 -21.807 -3.302 1.00 0.00 H new ATOM 0 HD12 ILE A 30 14.847 -22.056 -3.600 1.00 0.00 H new ATOM 0 HD13 ILE A 30 13.693 -23.373 -3.915 1.00 0.00 H new ATOM 440 N GLU A 31 17.227 -23.207 -3.918 1.00 0.00 N ATOM 441 CA GLU A 31 17.607 -22.500 -5.132 1.00 0.00 C ATOM 442 C GLU A 31 16.358 -22.036 -5.868 1.00 0.00 C ATOM 443 O GLU A 31 15.445 -22.833 -6.094 1.00 0.00 O ATOM 444 CB GLU A 31 18.403 -23.431 -6.048 1.00 0.00 C ATOM 445 CG GLU A 31 19.156 -22.622 -7.105 1.00 0.00 C ATOM 446 CD GLU A 31 19.676 -23.518 -8.215 1.00 0.00 C ATOM 447 OE1 GLU A 31 20.728 -24.174 -8.042 1.00 0.00 O ATOM 448 OE2 GLU A 31 19.038 -23.579 -9.288 1.00 0.00 O ATOM 0 H GLU A 31 17.094 -24.208 -4.061 1.00 0.00 H new ATOM 0 HA GLU A 31 18.219 -21.639 -4.861 1.00 0.00 H new ATOM 0 HB2 GLU A 31 19.108 -24.016 -5.458 1.00 0.00 H new ATOM 0 HB3 GLU A 31 17.730 -24.138 -6.533 1.00 0.00 H new ATOM 0 HG2 GLU A 31 18.495 -21.864 -7.525 1.00 0.00 H new ATOM 0 HG3 GLU A 31 19.989 -22.096 -6.639 1.00 0.00 H new ATOM 455 N MET A 32 16.330 -20.765 -6.274 1.00 0.00 N ATOM 456 CA MET A 32 15.162 -20.160 -6.905 1.00 0.00 C ATOM 457 C MET A 32 15.348 -20.010 -8.424 1.00 0.00 C ATOM 458 O MET A 32 15.827 -18.962 -8.856 1.00 0.00 O ATOM 459 CB MET A 32 14.894 -18.806 -6.258 1.00 0.00 C ATOM 460 CG MET A 32 14.472 -18.912 -4.802 1.00 0.00 C ATOM 461 SD MET A 32 14.131 -17.298 -4.051 1.00 0.00 S ATOM 462 CE MET A 32 15.727 -16.453 -4.192 1.00 0.00 C ATOM 0 H MET A 32 17.120 -20.127 -6.173 1.00 0.00 H new ATOM 0 HA MET A 32 14.305 -20.816 -6.755 1.00 0.00 H new ATOM 0 HB2 MET A 32 15.793 -18.194 -6.325 1.00 0.00 H new ATOM 0 HB3 MET A 32 14.115 -18.290 -6.819 1.00 0.00 H new ATOM 0 HG2 MET A 32 13.581 -19.536 -4.731 1.00 0.00 H new ATOM 0 HG3 MET A 32 15.258 -19.412 -4.236 1.00 0.00 H new ATOM 0 HE1 MET A 32 15.774 -15.640 -3.467 1.00 0.00 H new ATOM 0 HE2 MET A 32 16.532 -17.161 -3.995 1.00 0.00 H new ATOM 0 HE3 MET A 32 15.837 -16.049 -5.198 1.00 0.00 H new ATOM 472 N PRO A 33 15.041 -21.010 -9.267 1.00 0.00 N ATOM 473 CA PRO A 33 15.296 -20.958 -10.712 1.00 0.00 C ATOM 474 C PRO A 33 14.597 -19.804 -11.445 1.00 0.00 C ATOM 475 O PRO A 33 15.018 -19.429 -12.545 1.00 0.00 O ATOM 476 CB PRO A 33 14.793 -22.299 -11.254 1.00 0.00 C ATOM 477 CG PRO A 33 13.780 -22.758 -10.214 1.00 0.00 C ATOM 478 CD PRO A 33 14.403 -22.265 -8.918 1.00 0.00 C ATOM 0 HA PRO A 33 16.358 -20.781 -10.882 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.334 -22.186 -12.236 1.00 0.00 H new ATOM 0 HB3 PRO A 33 15.606 -23.016 -11.363 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.796 -22.322 -10.384 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.654 -23.841 -10.219 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.648 -22.123 -8.145 1.00 0.00 H new ATOM 0 HD3 PRO A 33 15.126 -22.982 -8.529 1.00 0.00 H new ATOM 486 N ASN A 34 13.525 -19.254 -10.867 1.00 0.00 N ATOM 487 CA ASN A 34 12.786 -18.114 -11.415 1.00 0.00 C ATOM 488 C ASN A 34 12.292 -17.232 -10.286 1.00 0.00 C ATOM 489 O ASN A 34 12.020 -17.704 -9.186 1.00 0.00 O ATOM 490 CB ASN A 34 11.572 -18.504 -12.284 1.00 0.00 C ATOM 491 CG ASN A 34 11.119 -19.943 -12.155 1.00 0.00 C ATOM 492 OD1 ASN A 34 11.583 -20.792 -12.908 1.00 0.00 O ATOM 493 ND2 ASN A 34 10.220 -20.227 -11.231 1.00 0.00 N ATOM 0 H ASN A 34 13.139 -19.596 -9.987 1.00 0.00 H new ATOM 0 HA ASN A 34 13.493 -17.593 -12.061 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.737 -17.853 -12.025 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.816 -18.310 -13.328 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.885 -21.184 -11.123 1.00 0.00 H new ATOM 0 HD22 ASN A 34 9.861 -19.489 -10.625 1.00 0.00 H new ATOM 500 N ILE A 35 12.122 -15.946 -10.592 1.00 0.00 N ATOM 501 CA ILE A 35 11.829 -14.915 -9.613 1.00 0.00 C ATOM 502 C ILE A 35 10.426 -15.051 -9.010 1.00 0.00 C ATOM 503 O ILE A 35 10.128 -14.418 -7.996 1.00 0.00 O ATOM 504 CB ILE A 35 12.126 -13.540 -10.248 1.00 0.00 C ATOM 505 CG1 ILE A 35 12.282 -12.453 -9.168 1.00 0.00 C ATOM 506 CG2 ILE A 35 11.076 -13.137 -11.303 1.00 0.00 C ATOM 507 CD1 ILE A 35 13.617 -11.706 -9.258 1.00 0.00 C ATOM 0 H ILE A 35 12.186 -15.591 -11.546 1.00 0.00 H new ATOM 0 HA ILE A 35 12.481 -15.030 -8.747 1.00 0.00 H new ATOM 0 HB ILE A 35 13.076 -13.634 -10.775 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.465 -11.738 -9.260 1.00 0.00 H new ATOM 0 HG13 ILE A 35 12.195 -12.912 -8.183 1.00 0.00 H new ATOM 0 HG21 ILE A 35 11.333 -12.162 -11.718 1.00 0.00 H new ATOM 0 HG22 ILE A 35 11.060 -13.878 -12.102 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.092 -13.085 -10.836 1.00 0.00 H new ATOM 0 HD11 ILE A 35 13.667 -10.954 -8.471 1.00 0.00 H new ATOM 0 HD12 ILE A 35 14.438 -12.413 -9.137 1.00 0.00 H new ATOM 0 HD13 ILE A 35 13.697 -11.220 -10.230 1.00 0.00 H new ATOM 519 N SER A 36 9.559 -15.895 -9.589 1.00 0.00 N ATOM 520 CA SER A 36 8.243 -16.146 -9.023 1.00 0.00 C ATOM 521 C SER A 36 8.338 -16.633 -7.578 1.00 0.00 C ATOM 522 O SER A 36 7.451 -16.301 -6.803 1.00 0.00 O ATOM 523 CB SER A 36 7.442 -17.137 -9.874 1.00 0.00 C ATOM 524 OG SER A 36 8.203 -18.259 -10.300 1.00 0.00 O ATOM 0 H SER A 36 9.753 -16.410 -10.447 1.00 0.00 H new ATOM 0 HA SER A 36 7.710 -15.195 -9.024 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.584 -17.486 -9.300 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.051 -16.619 -10.750 1.00 0.00 H new ATOM 0 HG SER A 36 7.637 -18.853 -10.836 1.00 0.00 H new ATOM 530 N TYR A 37 9.406 -17.348 -7.207 1.00 0.00 N ATOM 531 CA TYR A 37 9.597 -17.895 -5.875 1.00 0.00 C ATOM 532 C TYR A 37 9.472 -16.811 -4.798 1.00 0.00 C ATOM 533 O TYR A 37 8.635 -16.930 -3.901 1.00 0.00 O ATOM 534 CB TYR A 37 10.959 -18.610 -5.819 1.00 0.00 C ATOM 535 CG TYR A 37 10.962 -20.071 -6.250 1.00 0.00 C ATOM 536 CD1 TYR A 37 11.010 -20.463 -7.607 1.00 0.00 C ATOM 537 CD2 TYR A 37 10.913 -21.069 -5.260 1.00 0.00 C ATOM 538 CE1 TYR A 37 10.991 -21.823 -7.961 1.00 0.00 C ATOM 539 CE2 TYR A 37 10.926 -22.432 -5.603 1.00 0.00 C ATOM 540 CZ TYR A 37 10.971 -22.815 -6.959 1.00 0.00 C ATOM 541 OH TYR A 37 10.990 -24.124 -7.317 1.00 0.00 O ATOM 0 H TYR A 37 10.173 -17.563 -7.844 1.00 0.00 H new ATOM 0 HA TYR A 37 8.810 -18.620 -5.666 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.660 -18.064 -6.450 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.336 -18.552 -4.798 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.062 -19.710 -8.380 1.00 0.00 H new ATOM 0 HD2 TYR A 37 10.865 -20.783 -4.220 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.992 -22.109 -9.002 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.902 -23.185 -4.829 1.00 0.00 H new ATOM 0 HH TYR A 37 10.973 -24.683 -6.513 1.00 0.00 H new ATOM 551 N ALA A 38 10.272 -15.741 -4.869 1.00 0.00 N ATOM 552 CA ALA A 38 10.219 -14.687 -3.861 1.00 0.00 C ATOM 553 C ALA A 38 8.911 -13.914 -3.930 1.00 0.00 C ATOM 554 O ALA A 38 8.348 -13.571 -2.894 1.00 0.00 O ATOM 555 CB ALA A 38 11.415 -13.742 -3.987 1.00 0.00 C ATOM 0 H ALA A 38 10.957 -15.586 -5.609 1.00 0.00 H new ATOM 0 HA ALA A 38 10.269 -15.169 -2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.349 -12.967 -3.223 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.339 -14.305 -3.854 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.411 -13.280 -4.974 1.00 0.00 H new ATOM 561 N TRP A 39 8.407 -13.648 -5.137 1.00 0.00 N ATOM 562 CA TRP A 39 7.121 -12.981 -5.288 1.00 0.00 C ATOM 563 C TRP A 39 6.012 -13.766 -4.588 1.00 0.00 C ATOM 564 O TRP A 39 5.274 -13.171 -3.816 1.00 0.00 O ATOM 565 CB TRP A 39 6.791 -12.759 -6.761 1.00 0.00 C ATOM 566 CG TRP A 39 7.512 -11.637 -7.437 1.00 0.00 C ATOM 567 CD1 TRP A 39 8.423 -11.786 -8.421 1.00 0.00 C ATOM 568 CD2 TRP A 39 7.427 -10.201 -7.190 1.00 0.00 C ATOM 569 NE1 TRP A 39 8.924 -10.557 -8.783 1.00 0.00 N ATOM 570 CE2 TRP A 39 8.355 -9.542 -8.052 1.00 0.00 C ATOM 571 CE3 TRP A 39 6.688 -9.391 -6.300 1.00 0.00 C ATOM 572 CZ2 TRP A 39 8.573 -8.158 -8.010 1.00 0.00 C ATOM 573 CZ3 TRP A 39 6.867 -7.994 -6.275 1.00 0.00 C ATOM 574 CH2 TRP A 39 7.824 -7.383 -7.106 1.00 0.00 C ATOM 0 H TRP A 39 8.869 -13.884 -6.015 1.00 0.00 H new ATOM 0 HA TRP A 39 7.191 -12.004 -4.810 1.00 0.00 H new ATOM 0 HB2 TRP A 39 7.006 -13.680 -7.303 1.00 0.00 H new ATOM 0 HB3 TRP A 39 5.719 -12.580 -6.849 1.00 0.00 H new ATOM 0 HD1 TRP A 39 8.715 -12.729 -8.859 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.631 -10.416 -9.505 1.00 0.00 H new ATOM 0 HE3 TRP A 39 5.976 -9.849 -5.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.302 -7.696 -8.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 6.266 -7.388 -5.614 1.00 0.00 H new ATOM 0 HH2 TRP A 39 7.984 -6.316 -7.050 1.00 0.00 H new ATOM 585 N LYS A 40 5.890 -15.069 -4.842 1.00 0.00 N ATOM 586 CA LYS A 40 4.836 -15.923 -4.299 1.00 0.00 C ATOM 587 C LYS A 40 4.858 -15.920 -2.774 1.00 0.00 C ATOM 588 O LYS A 40 3.785 -15.885 -2.169 1.00 0.00 O ATOM 589 CB LYS A 40 4.990 -17.350 -4.868 1.00 0.00 C ATOM 590 CG LYS A 40 4.140 -17.659 -6.117 1.00 0.00 C ATOM 591 CD LYS A 40 4.061 -16.594 -7.224 1.00 0.00 C ATOM 592 CE LYS A 40 3.019 -17.056 -8.258 1.00 0.00 C ATOM 593 NZ LYS A 40 2.538 -15.987 -9.168 1.00 0.00 N ATOM 0 H LYS A 40 6.539 -15.572 -5.447 1.00 0.00 H new ATOM 0 HA LYS A 40 3.865 -15.530 -4.601 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.039 -17.514 -5.114 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.730 -18.064 -4.087 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.525 -18.576 -6.564 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.124 -17.869 -5.784 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.778 -15.629 -6.804 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.034 -16.463 -7.697 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.451 -17.858 -8.857 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.164 -17.478 -7.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.841 -16.383 -9.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.094 -15.230 -8.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.341 -15.598 -9.702 1.00 0.00 H new ATOM 607 N GLU A 41 6.043 -15.905 -2.156 1.00 0.00 N ATOM 608 CA GLU A 41 6.128 -15.833 -0.705 1.00 0.00 C ATOM 609 C GLU A 41 5.696 -14.455 -0.220 1.00 0.00 C ATOM 610 O GLU A 41 4.824 -14.372 0.641 1.00 0.00 O ATOM 611 CB GLU A 41 7.535 -16.157 -0.186 1.00 0.00 C ATOM 612 CG GLU A 41 7.424 -17.003 1.094 1.00 0.00 C ATOM 613 CD GLU A 41 7.192 -18.504 0.812 1.00 0.00 C ATOM 614 OE1 GLU A 41 6.965 -18.904 -0.356 1.00 0.00 O ATOM 615 OE2 GLU A 41 7.329 -19.323 1.749 1.00 0.00 O ATOM 0 H GLU A 41 6.943 -15.941 -2.636 1.00 0.00 H new ATOM 0 HA GLU A 41 5.453 -16.589 -0.305 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.099 -16.698 -0.945 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.080 -15.236 0.020 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.336 -16.886 1.679 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.604 -16.623 1.703 1.00 0.00 H new ATOM 622 N LEU A 42 6.252 -13.367 -0.778 1.00 0.00 N ATOM 623 CA LEU A 42 5.847 -12.030 -0.346 1.00 0.00 C ATOM 624 C LEU A 42 4.333 -11.866 -0.468 1.00 0.00 C ATOM 625 O LEU A 42 3.714 -11.261 0.404 1.00 0.00 O ATOM 626 CB LEU A 42 6.547 -10.901 -1.129 1.00 0.00 C ATOM 627 CG LEU A 42 7.888 -10.345 -0.603 1.00 0.00 C ATOM 628 CD1 LEU A 42 8.082 -10.428 0.910 1.00 0.00 C ATOM 629 CD2 LEU A 42 9.104 -10.986 -1.262 1.00 0.00 C ATOM 0 H LEU A 42 6.963 -13.389 -1.509 1.00 0.00 H new ATOM 0 HA LEU A 42 6.154 -11.942 0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.715 -11.260 -2.144 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.849 -10.067 -1.198 1.00 0.00 H new ATOM 0 HG LEU A 42 7.817 -9.292 -0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.054 -10.012 1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.296 -9.861 1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.035 -11.470 1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.014 -10.551 -0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.096 -12.060 -1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.072 -10.806 -2.337 1.00 0.00 H new ATOM 641 N LYS A 43 3.748 -12.411 -1.534 1.00 0.00 N ATOM 642 CA LYS A 43 2.329 -12.312 -1.827 1.00 0.00 C ATOM 643 C LYS A 43 1.468 -13.053 -0.803 1.00 0.00 C ATOM 644 O LYS A 43 0.334 -12.622 -0.573 1.00 0.00 O ATOM 645 CB LYS A 43 2.082 -12.799 -3.269 1.00 0.00 C ATOM 646 CG LYS A 43 2.594 -11.736 -4.261 1.00 0.00 C ATOM 647 CD LYS A 43 2.665 -12.172 -5.729 1.00 0.00 C ATOM 648 CE LYS A 43 3.339 -11.016 -6.482 1.00 0.00 C ATOM 649 NZ LYS A 43 3.001 -10.937 -7.917 1.00 0.00 N ATOM 0 H LYS A 43 4.265 -12.946 -2.232 1.00 0.00 H new ATOM 0 HA LYS A 43 2.024 -11.268 -1.750 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.594 -13.747 -3.438 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.019 -12.978 -3.427 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.947 -10.861 -4.192 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.589 -11.422 -3.946 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.238 -13.093 -5.835 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.669 -12.368 -6.126 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.060 -10.077 -6.004 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.420 -11.116 -6.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.498 -10.131 -8.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.292 -11.816 -8.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.975 -10.809 -8.025 1.00 0.00 H new ATOM 663 N GLU A 44 1.966 -14.113 -0.155 1.00 0.00 N ATOM 664 CA GLU A 44 1.165 -14.869 0.803 1.00 0.00 C ATOM 665 C GLU A 44 0.836 -14.004 2.020 1.00 0.00 C ATOM 666 O GLU A 44 -0.293 -14.054 2.517 1.00 0.00 O ATOM 667 CB GLU A 44 1.861 -16.170 1.233 1.00 0.00 C ATOM 668 CG GLU A 44 0.818 -17.194 1.737 1.00 0.00 C ATOM 669 CD GLU A 44 1.399 -18.277 2.654 1.00 0.00 C ATOM 670 OE1 GLU A 44 1.792 -17.949 3.795 1.00 0.00 O ATOM 671 OE2 GLU A 44 1.504 -19.460 2.240 1.00 0.00 O ATOM 0 H GLU A 44 2.916 -14.462 -0.279 1.00 0.00 H new ATOM 0 HA GLU A 44 0.236 -15.149 0.307 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.416 -16.589 0.393 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.585 -15.960 2.020 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.032 -16.662 2.273 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.350 -17.673 0.877 1.00 0.00 H new ATOM 678 N GLN A 45 1.783 -13.176 2.470 1.00 0.00 N ATOM 679 CA GLN A 45 1.628 -12.356 3.673 1.00 0.00 C ATOM 680 C GLN A 45 1.329 -10.883 3.393 1.00 0.00 C ATOM 681 O GLN A 45 0.398 -10.322 3.971 1.00 0.00 O ATOM 682 CB GLN A 45 2.791 -12.565 4.648 1.00 0.00 C ATOM 683 CG GLN A 45 4.197 -12.677 4.069 1.00 0.00 C ATOM 684 CD GLN A 45 4.744 -14.103 4.194 1.00 0.00 C ATOM 685 OE1 GLN A 45 4.304 -15.021 3.523 1.00 0.00 O ATOM 686 NE2 GLN A 45 5.665 -14.352 5.111 1.00 0.00 N ATOM 0 H GLN A 45 2.684 -13.056 2.007 1.00 0.00 H new ATOM 0 HA GLN A 45 0.726 -12.715 4.169 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.786 -11.737 5.356 1.00 0.00 H new ATOM 0 HB3 GLN A 45 2.591 -13.473 5.218 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.184 -12.382 3.020 1.00 0.00 H new ATOM 0 HG3 GLN A 45 4.861 -11.985 4.587 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.039 -13.591 5.678 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.000 -15.305 5.251 1.00 0.00 H new ATOM 695 N LEU A 46 2.083 -10.240 2.499 1.00 0.00 N ATOM 696 CA LEU A 46 1.933 -8.808 2.214 1.00 0.00 C ATOM 697 C LEU A 46 0.811 -8.504 1.210 1.00 0.00 C ATOM 698 O LEU A 46 0.549 -7.333 0.915 1.00 0.00 O ATOM 699 CB LEU A 46 3.253 -8.216 1.698 1.00 0.00 C ATOM 700 CG LEU A 46 4.444 -8.283 2.676 1.00 0.00 C ATOM 701 CD1 LEU A 46 5.708 -7.862 1.921 1.00 0.00 C ATOM 702 CD2 LEU A 46 4.216 -7.418 3.915 1.00 0.00 C ATOM 0 H LEU A 46 2.814 -10.695 1.952 1.00 0.00 H new ATOM 0 HA LEU A 46 1.658 -8.341 3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.530 -8.737 0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.083 -7.173 1.433 1.00 0.00 H new ATOM 0 HG LEU A 46 4.555 -9.304 3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.564 -7.902 2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.874 -8.539 1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.587 -6.845 1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.079 -7.495 4.576 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.081 -6.379 3.614 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.325 -7.762 4.440 1.00 0.00 H new ATOM 714 N GLY A 47 0.124 -9.523 0.693 1.00 0.00 N ATOM 715 CA GLY A 47 -0.955 -9.377 -0.272 1.00 0.00 C ATOM 716 C GLY A 47 -0.449 -9.612 -1.688 1.00 0.00 C ATOM 717 O GLY A 47 0.699 -9.295 -2.007 1.00 0.00 O ATOM 0 H GLY A 47 0.310 -10.494 0.943 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.752 -10.085 -0.043 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.385 -8.378 -0.196 1.00 0.00 H new ATOM 721 N GLU A 48 -1.318 -10.128 -2.559 1.00 0.00 N ATOM 722 CA GLU A 48 -0.990 -10.465 -3.936 1.00 0.00 C ATOM 723 C GLU A 48 -0.621 -9.248 -4.799 1.00 0.00 C ATOM 724 O GLU A 48 -0.211 -9.426 -5.948 1.00 0.00 O ATOM 725 CB GLU A 48 -2.106 -11.314 -4.578 1.00 0.00 C ATOM 726 CG GLU A 48 -1.479 -12.618 -5.094 1.00 0.00 C ATOM 727 CD GLU A 48 -2.404 -13.453 -5.980 1.00 0.00 C ATOM 728 OE1 GLU A 48 -3.595 -13.621 -5.629 1.00 0.00 O ATOM 729 OE2 GLU A 48 -1.908 -13.990 -6.996 1.00 0.00 O ATOM 0 H GLU A 48 -2.289 -10.326 -2.317 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.084 -11.069 -3.896 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.887 -11.530 -3.849 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.576 -10.768 -5.396 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.577 -12.376 -5.656 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.170 -13.222 -4.241 1.00 0.00 H new ATOM 736 N GLU A 49 -0.712 -8.025 -4.265 1.00 0.00 N ATOM 737 CA GLU A 49 -0.455 -6.758 -4.939 1.00 0.00 C ATOM 738 C GLU A 49 0.738 -6.003 -4.315 1.00 0.00 C ATOM 739 O GLU A 49 0.886 -4.788 -4.476 1.00 0.00 O ATOM 740 CB GLU A 49 -1.772 -5.969 -4.975 1.00 0.00 C ATOM 741 CG GLU A 49 -2.794 -6.714 -5.860 1.00 0.00 C ATOM 742 CD GLU A 49 -4.040 -5.893 -6.168 1.00 0.00 C ATOM 743 OE1 GLU A 49 -4.830 -5.615 -5.229 1.00 0.00 O ATOM 744 OE2 GLU A 49 -4.243 -5.529 -7.343 1.00 0.00 O ATOM 0 H GLU A 49 -0.984 -7.891 -3.291 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.136 -6.921 -5.968 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.166 -5.852 -3.965 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.598 -4.967 -5.367 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.314 -6.997 -6.797 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.090 -7.637 -5.362 1.00 0.00 H new ATOM 751 N ILE A 50 1.622 -6.708 -3.598 1.00 0.00 N ATOM 752 CA ILE A 50 2.938 -6.242 -3.135 1.00 0.00 C ATOM 753 C ILE A 50 3.785 -5.606 -4.259 1.00 0.00 C ATOM 754 O ILE A 50 4.690 -4.809 -3.997 1.00 0.00 O ATOM 755 CB ILE A 50 3.660 -7.398 -2.408 1.00 0.00 C ATOM 756 CG1 ILE A 50 5.013 -6.985 -1.798 1.00 0.00 C ATOM 757 CG2 ILE A 50 3.886 -8.613 -3.326 1.00 0.00 C ATOM 758 CD1 ILE A 50 4.925 -5.796 -0.839 1.00 0.00 C ATOM 0 H ILE A 50 1.430 -7.668 -3.310 1.00 0.00 H new ATOM 0 HA ILE A 50 2.787 -5.430 -2.424 1.00 0.00 H new ATOM 0 HB ILE A 50 2.986 -7.673 -1.597 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.436 -7.837 -1.266 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.704 -6.738 -2.604 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.397 -9.399 -2.770 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.925 -8.985 -3.681 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.497 -8.316 -4.179 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.918 -5.567 -0.452 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.533 -4.928 -1.370 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.261 -6.045 -0.011 1.00 0.00 H new ATOM 770 N ASP A 51 3.482 -5.896 -5.528 1.00 0.00 N ATOM 771 CA ASP A 51 4.120 -5.295 -6.698 1.00 0.00 C ATOM 772 C ASP A 51 4.028 -3.765 -6.757 1.00 0.00 C ATOM 773 O ASP A 51 4.787 -3.161 -7.520 1.00 0.00 O ATOM 774 CB ASP A 51 3.621 -5.917 -8.010 1.00 0.00 C ATOM 775 CG ASP A 51 2.179 -5.556 -8.364 1.00 0.00 C ATOM 776 OD1 ASP A 51 1.956 -4.516 -9.021 1.00 0.00 O ATOM 777 OD2 ASP A 51 1.275 -6.372 -8.071 1.00 0.00 O ATOM 0 H ASP A 51 2.763 -6.577 -5.774 1.00 0.00 H new ATOM 0 HA ASP A 51 5.178 -5.528 -6.579 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.274 -5.597 -8.822 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.706 -7.001 -7.941 1.00 0.00 H new ATOM 782 N SER A 52 3.207 -3.109 -5.928 1.00 0.00 N ATOM 783 CA SER A 52 3.286 -1.660 -5.767 1.00 0.00 C ATOM 784 C SER A 52 4.611 -1.259 -5.109 1.00 0.00 C ATOM 785 O SER A 52 5.237 -0.284 -5.531 1.00 0.00 O ATOM 786 CB SER A 52 2.109 -1.130 -4.936 1.00 0.00 C ATOM 787 OG SER A 52 1.960 0.272 -5.114 1.00 0.00 O ATOM 0 H SER A 52 2.486 -3.559 -5.364 1.00 0.00 H new ATOM 0 HA SER A 52 3.236 -1.215 -6.761 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.191 -1.639 -5.231 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.272 -1.352 -3.882 1.00 0.00 H new ATOM 0 HG SER A 52 1.204 0.591 -4.578 1.00 0.00 H new ATOM 793 N LYS A 53 5.044 -1.966 -4.056 1.00 0.00 N ATOM 794 CA LYS A 53 6.195 -1.545 -3.263 1.00 0.00 C ATOM 795 C LYS A 53 7.465 -1.727 -4.078 1.00 0.00 C ATOM 796 O LYS A 53 8.218 -0.770 -4.264 1.00 0.00 O ATOM 797 CB LYS A 53 6.292 -2.339 -1.941 1.00 0.00 C ATOM 798 CG LYS A 53 5.139 -2.162 -0.942 1.00 0.00 C ATOM 799 CD LYS A 53 4.918 -0.713 -0.491 1.00 0.00 C ATOM 800 CE LYS A 53 3.764 -0.108 -1.291 1.00 0.00 C ATOM 801 NZ LYS A 53 3.449 1.263 -0.861 1.00 0.00 N ATOM 0 H LYS A 53 4.610 -2.833 -3.738 1.00 0.00 H new ATOM 0 HA LYS A 53 6.070 -0.493 -3.008 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.370 -3.398 -2.186 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.220 -2.058 -1.443 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.220 -2.534 -1.395 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.335 -2.778 -0.065 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.693 -0.682 0.575 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.826 -0.130 -0.642 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.021 -0.105 -2.350 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.879 -0.734 -1.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.661 1.633 -1.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.178 1.258 0.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.285 1.868 -0.991 1.00 0.00 H new ATOM 815 N VAL A 54 7.714 -2.971 -4.489 1.00 0.00 N ATOM 816 CA VAL A 54 9.069 -3.440 -4.720 1.00 0.00 C ATOM 817 C VAL A 54 9.547 -3.114 -6.134 1.00 0.00 C ATOM 818 O VAL A 54 8.854 -3.365 -7.127 1.00 0.00 O ATOM 819 CB VAL A 54 9.146 -4.945 -4.416 1.00 0.00 C ATOM 820 CG1 VAL A 54 10.590 -5.417 -4.619 1.00 0.00 C ATOM 821 CG2 VAL A 54 8.689 -5.286 -2.991 1.00 0.00 C ATOM 0 H VAL A 54 6.991 -3.668 -4.667 1.00 0.00 H new ATOM 0 HA VAL A 54 9.745 -2.915 -4.045 1.00 0.00 H new ATOM 0 HB VAL A 54 8.468 -5.457 -5.099 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.657 -6.484 -4.406 1.00 0.00 H new ATOM 0 HG12 VAL A 54 10.891 -5.233 -5.650 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.250 -4.870 -3.945 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.765 -6.362 -2.832 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.323 -4.768 -2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.654 -4.971 -2.856 1.00 0.00 H new ATOM 831 N LYS A 55 10.794 -2.654 -6.235 1.00 0.00 N ATOM 832 CA LYS A 55 11.452 -2.227 -7.463 1.00 0.00 C ATOM 833 C LYS A 55 12.602 -3.179 -7.768 1.00 0.00 C ATOM 834 O LYS A 55 13.094 -3.865 -6.873 1.00 0.00 O ATOM 835 CB LYS A 55 11.987 -0.800 -7.260 1.00 0.00 C ATOM 836 CG LYS A 55 11.006 0.172 -6.588 1.00 0.00 C ATOM 837 CD LYS A 55 9.682 0.398 -7.327 1.00 0.00 C ATOM 838 CE LYS A 55 9.875 0.966 -8.737 1.00 0.00 C ATOM 839 NZ LYS A 55 8.648 1.631 -9.225 1.00 0.00 N ATOM 0 H LYS A 55 11.400 -2.566 -5.420 1.00 0.00 H new ATOM 0 HA LYS A 55 10.751 -2.238 -8.297 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.894 -0.851 -6.658 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.271 -0.393 -8.231 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.784 -0.199 -5.588 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.503 1.135 -6.468 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.142 -0.547 -7.392 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.060 1.081 -6.748 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.700 1.679 -8.734 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.151 0.162 -9.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.812 2.004 -10.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.868 0.944 -9.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.400 2.413 -8.586 1.00 0.00 H new ATOM 853 N GLY A 56 13.049 -3.207 -9.021 1.00 0.00 N ATOM 854 CA GLY A 56 14.263 -3.886 -9.468 1.00 0.00 C ATOM 855 C GLY A 56 14.195 -5.411 -9.387 1.00 0.00 C ATOM 856 O GLY A 56 13.982 -6.058 -10.412 1.00 0.00 O ATOM 0 H GLY A 56 12.557 -2.739 -9.782 1.00 0.00 H new ATOM 0 HA2 GLY A 56 14.469 -3.597 -10.499 1.00 0.00 H new ATOM 0 HA3 GLY A 56 15.103 -3.539 -8.866 1.00 0.00 H new ATOM 860 N MET A 57 14.379 -5.935 -8.179 1.00 0.00 N ATOM 861 CA MET A 57 14.512 -7.297 -7.696 1.00 0.00 C ATOM 862 C MET A 57 15.434 -8.196 -8.540 1.00 0.00 C ATOM 863 O MET A 57 15.103 -8.586 -9.655 1.00 0.00 O ATOM 864 CB MET A 57 13.126 -7.855 -7.408 1.00 0.00 C ATOM 865 CG MET A 57 13.185 -9.162 -6.591 1.00 0.00 C ATOM 866 SD MET A 57 11.692 -10.184 -6.622 1.00 0.00 S ATOM 867 CE MET A 57 10.539 -9.150 -5.684 1.00 0.00 C ATOM 0 H MET A 57 14.449 -5.296 -7.387 1.00 0.00 H new ATOM 0 HA MET A 57 15.061 -7.281 -6.755 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.543 -7.113 -6.862 1.00 0.00 H new ATOM 0 HB3 MET A 57 12.607 -8.039 -8.349 1.00 0.00 H new ATOM 0 HG2 MET A 57 14.019 -9.760 -6.959 1.00 0.00 H new ATOM 0 HG3 MET A 57 13.407 -8.909 -5.554 1.00 0.00 H new ATOM 0 HE1 MET A 57 9.567 -9.642 -5.634 1.00 0.00 H new ATOM 0 HE2 MET A 57 10.923 -9.001 -4.675 1.00 0.00 H new ATOM 0 HE3 MET A 57 10.432 -8.184 -6.178 1.00 0.00 H new ATOM 877 N VAL A 58 16.595 -8.513 -7.973 1.00 0.00 N ATOM 878 CA VAL A 58 17.677 -9.264 -8.618 1.00 0.00 C ATOM 879 C VAL A 58 18.148 -10.373 -7.667 1.00 0.00 C ATOM 880 O VAL A 58 17.993 -10.275 -6.450 1.00 0.00 O ATOM 881 CB VAL A 58 18.832 -8.302 -9.001 1.00 0.00 C ATOM 882 CG1 VAL A 58 18.321 -7.167 -9.893 1.00 0.00 C ATOM 883 CG2 VAL A 58 19.527 -7.659 -7.795 1.00 0.00 C ATOM 0 H VAL A 58 16.820 -8.245 -7.015 1.00 0.00 H new ATOM 0 HA VAL A 58 17.322 -9.728 -9.538 1.00 0.00 H new ATOM 0 HB VAL A 58 19.556 -8.928 -9.523 1.00 0.00 H new ATOM 0 HG11 VAL A 58 19.148 -6.505 -10.149 1.00 0.00 H new ATOM 0 HG12 VAL A 58 17.895 -7.585 -10.805 1.00 0.00 H new ATOM 0 HG13 VAL A 58 17.556 -6.602 -9.361 1.00 0.00 H new ATOM 0 HG21 VAL A 58 20.323 -7.000 -8.142 1.00 0.00 H new ATOM 0 HG22 VAL A 58 18.801 -7.081 -7.222 1.00 0.00 H new ATOM 0 HG23 VAL A 58 19.952 -8.438 -7.162 1.00 0.00 H new ATOM 893 N PHE A 59 18.732 -11.427 -8.218 1.00 0.00 N ATOM 894 CA PHE A 59 19.191 -12.573 -7.456 1.00 0.00 C ATOM 895 C PHE A 59 20.618 -12.336 -6.969 1.00 0.00 C ATOM 896 O PHE A 59 21.482 -11.935 -7.756 1.00 0.00 O ATOM 897 CB PHE A 59 19.170 -13.780 -8.383 1.00 0.00 C ATOM 898 CG PHE A 59 17.782 -14.294 -8.684 1.00 0.00 C ATOM 899 CD1 PHE A 59 17.222 -15.235 -7.812 1.00 0.00 C ATOM 900 CD2 PHE A 59 17.060 -13.880 -9.821 1.00 0.00 C ATOM 901 CE1 PHE A 59 15.986 -15.819 -8.112 1.00 0.00 C ATOM 902 CE2 PHE A 59 15.833 -14.486 -10.133 1.00 0.00 C ATOM 903 CZ PHE A 59 15.316 -15.477 -9.288 1.00 0.00 C ATOM 0 H PHE A 59 18.901 -11.509 -9.221 1.00 0.00 H new ATOM 0 HA PHE A 59 18.549 -12.735 -6.590 1.00 0.00 H new ATOM 0 HB2 PHE A 59 19.660 -13.515 -9.320 1.00 0.00 H new ATOM 0 HB3 PHE A 59 19.755 -14.582 -7.933 1.00 0.00 H new ATOM 0 HD1 PHE A 59 17.744 -15.510 -6.907 1.00 0.00 H new ATOM 0 HD2 PHE A 59 17.451 -13.096 -10.453 1.00 0.00 H new ATOM 0 HE1 PHE A 59 15.550 -16.536 -7.432 1.00 0.00 H new ATOM 0 HE2 PHE A 59 15.291 -14.190 -11.019 1.00 0.00 H new ATOM 0 HZ PHE A 59 14.395 -15.978 -9.548 1.00 0.00 H new ATOM 913 N LEU A 60 20.874 -12.641 -5.696 1.00 0.00 N ATOM 914 CA LEU A 60 22.182 -12.520 -5.060 1.00 0.00 C ATOM 915 C LEU A 60 23.109 -13.635 -5.522 1.00 0.00 C ATOM 916 O LEU A 60 22.668 -14.768 -5.754 1.00 0.00 O ATOM 917 CB LEU A 60 22.042 -12.656 -3.539 1.00 0.00 C ATOM 918 CG LEU A 60 21.400 -11.457 -2.824 1.00 0.00 C ATOM 919 CD1 LEU A 60 21.058 -11.841 -1.383 1.00 0.00 C ATOM 920 CD2 LEU A 60 22.335 -10.246 -2.806 1.00 0.00 C ATOM 0 H LEU A 60 20.154 -12.989 -5.062 1.00 0.00 H new ATOM 0 HA LEU A 60 22.589 -11.546 -5.332 1.00 0.00 H new ATOM 0 HB2 LEU A 60 21.449 -13.545 -3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 60 23.032 -12.823 -3.114 1.00 0.00 H new ATOM 0 HG LEU A 60 20.497 -11.188 -3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 60 20.603 -10.989 -0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 60 20.359 -12.677 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 60 21.968 -12.130 -0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 60 21.847 -9.417 -2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 60 23.256 -10.505 -2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 60 22.569 -9.952 -3.829 1.00 0.00 H new ATOM 932 N LYS A 61 24.413 -13.357 -5.495 1.00 0.00 N ATOM 933 CA LYS A 61 25.448 -14.348 -5.789 1.00 0.00 C ATOM 934 C LYS A 61 25.313 -15.446 -4.748 1.00 0.00 C ATOM 935 O LYS A 61 25.316 -15.168 -3.550 1.00 0.00 O ATOM 936 CB LYS A 61 26.852 -13.708 -5.798 1.00 0.00 C ATOM 937 CG LYS A 61 27.977 -14.598 -6.375 1.00 0.00 C ATOM 938 CD LYS A 61 28.486 -15.679 -5.405 1.00 0.00 C ATOM 939 CE LYS A 61 29.613 -16.547 -5.980 1.00 0.00 C ATOM 940 NZ LYS A 61 30.953 -15.992 -5.717 1.00 0.00 N ATOM 0 H LYS A 61 24.782 -12.434 -5.268 1.00 0.00 H new ATOM 0 HA LYS A 61 25.319 -14.767 -6.787 1.00 0.00 H new ATOM 0 HB2 LYS A 61 26.809 -12.784 -6.375 1.00 0.00 H new ATOM 0 HB3 LYS A 61 27.115 -13.434 -4.777 1.00 0.00 H new ATOM 0 HG2 LYS A 61 27.614 -15.081 -7.282 1.00 0.00 H new ATOM 0 HG3 LYS A 61 28.814 -13.963 -6.666 1.00 0.00 H new ATOM 0 HD2 LYS A 61 28.840 -15.198 -4.493 1.00 0.00 H new ATOM 0 HD3 LYS A 61 27.652 -16.322 -5.123 1.00 0.00 H new ATOM 0 HE2 LYS A 61 29.549 -17.548 -5.552 1.00 0.00 H new ATOM 0 HE3 LYS A 61 29.473 -16.651 -7.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 31.675 -16.618 -6.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 31.028 -15.048 -6.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 31.102 -15.917 -4.691 1.00 0.00 H new ATOM 954 N GLY A 62 25.179 -16.685 -5.203 1.00 0.00 N ATOM 955 CA GLY A 62 24.903 -17.851 -4.380 1.00 0.00 C ATOM 956 C GLY A 62 23.760 -18.656 -4.980 1.00 0.00 C ATOM 957 O GLY A 62 23.746 -19.876 -4.845 1.00 0.00 O ATOM 0 H GLY A 62 25.263 -16.912 -6.194 1.00 0.00 H new ATOM 0 HA2 GLY A 62 25.795 -18.472 -4.305 1.00 0.00 H new ATOM 0 HA3 GLY A 62 24.646 -17.539 -3.368 1.00 0.00 H new ATOM 961 N LYS A 63 22.843 -17.995 -5.702 1.00 0.00 N ATOM 962 CA LYS A 63 21.599 -18.568 -6.215 1.00 0.00 C ATOM 963 C LYS A 63 20.679 -19.059 -5.086 1.00 0.00 C ATOM 964 O LYS A 63 19.705 -19.764 -5.347 1.00 0.00 O ATOM 965 CB LYS A 63 21.887 -19.622 -7.311 1.00 0.00 C ATOM 966 CG LYS A 63 20.787 -19.630 -8.381 1.00 0.00 C ATOM 967 CD LYS A 63 21.136 -20.511 -9.583 1.00 0.00 C ATOM 968 CE LYS A 63 20.012 -20.397 -10.619 1.00 0.00 C ATOM 969 NZ LYS A 63 20.387 -20.990 -11.916 1.00 0.00 N ATOM 0 H LYS A 63 22.955 -17.012 -5.951 1.00 0.00 H new ATOM 0 HA LYS A 63 21.030 -17.778 -6.705 1.00 0.00 H new ATOM 0 HB2 LYS A 63 22.849 -19.411 -7.777 1.00 0.00 H new ATOM 0 HB3 LYS A 63 21.963 -20.610 -6.857 1.00 0.00 H new ATOM 0 HG2 LYS A 63 19.856 -19.982 -7.936 1.00 0.00 H new ATOM 0 HG3 LYS A 63 20.611 -18.610 -8.723 1.00 0.00 H new ATOM 0 HD2 LYS A 63 22.085 -20.197 -10.019 1.00 0.00 H new ATOM 0 HD3 LYS A 63 21.257 -21.548 -9.269 1.00 0.00 H new ATOM 0 HE2 LYS A 63 19.119 -20.893 -10.239 1.00 0.00 H new ATOM 0 HE3 LYS A 63 19.757 -19.347 -10.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 19.597 -20.890 -12.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 21.224 -20.500 -12.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 20.605 -21.999 -11.786 1.00 0.00 H new ATOM 983 N LEU A 64 20.896 -18.616 -3.848 1.00 0.00 N ATOM 984 CA LEU A 64 20.130 -18.958 -2.650 1.00 0.00 C ATOM 985 C LEU A 64 19.671 -17.653 -1.973 1.00 0.00 C ATOM 986 O LEU A 64 19.570 -17.577 -0.745 1.00 0.00 O ATOM 987 CB LEU A 64 20.990 -19.844 -1.722 1.00 0.00 C ATOM 988 CG LEU A 64 21.540 -21.149 -2.346 1.00 0.00 C ATOM 989 CD1 LEU A 64 22.670 -21.741 -1.501 1.00 0.00 C ATOM 990 CD2 LEU A 64 20.444 -22.197 -2.530 1.00 0.00 C ATOM 0 H LEU A 64 21.658 -17.969 -3.642 1.00 0.00 H new ATOM 0 HA LEU A 64 19.240 -19.535 -2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 64 21.833 -19.252 -1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 64 20.394 -20.106 -0.848 1.00 0.00 H new ATOM 0 HG LEU A 64 21.933 -20.879 -3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 64 23.033 -22.656 -1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 64 23.486 -21.022 -1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 64 22.297 -21.967 -0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 64 20.872 -23.097 -2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 64 20.006 -22.440 -1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 64 19.671 -21.803 -3.189 1.00 0.00 H new ATOM 1002 N GLY A 65 19.418 -16.606 -2.769 1.00 0.00 N ATOM 1003 CA GLY A 65 18.971 -15.311 -2.281 1.00 0.00 C ATOM 1004 C GLY A 65 18.673 -14.339 -3.418 1.00 0.00 C ATOM 1005 O GLY A 65 19.019 -14.598 -4.574 1.00 0.00 O ATOM 0 H GLY A 65 19.522 -16.643 -3.783 1.00 0.00 H new ATOM 0 HA2 GLY A 65 18.076 -15.443 -1.674 1.00 0.00 H new ATOM 0 HA3 GLY A 65 19.736 -14.885 -1.632 1.00 0.00 H new ATOM 1009 N VAL A 66 18.047 -13.219 -3.070 1.00 0.00 N ATOM 1010 CA VAL A 66 17.578 -12.076 -3.821 1.00 0.00 C ATOM 1011 C VAL A 66 17.799 -10.808 -2.990 1.00 0.00 C ATOM 1012 O VAL A 66 17.865 -10.857 -1.766 1.00 0.00 O ATOM 1013 CB VAL A 66 16.105 -12.373 -4.189 1.00 0.00 C ATOM 1014 CG1 VAL A 66 15.281 -11.150 -4.537 1.00 0.00 C ATOM 1015 CG2 VAL A 66 16.015 -13.257 -5.443 1.00 0.00 C ATOM 0 H VAL A 66 17.825 -13.081 -2.084 1.00 0.00 H new ATOM 0 HA VAL A 66 18.123 -11.902 -4.749 1.00 0.00 H new ATOM 0 HB VAL A 66 15.715 -12.846 -3.288 1.00 0.00 H new ATOM 0 HG11 VAL A 66 14.263 -11.454 -4.781 1.00 0.00 H new ATOM 0 HG12 VAL A 66 15.262 -10.470 -3.686 1.00 0.00 H new ATOM 0 HG13 VAL A 66 15.724 -10.645 -5.395 1.00 0.00 H new ATOM 0 HG21 VAL A 66 14.968 -13.450 -5.678 1.00 0.00 H new ATOM 0 HG22 VAL A 66 16.488 -12.747 -6.282 1.00 0.00 H new ATOM 0 HG23 VAL A 66 16.525 -14.202 -5.259 1.00 0.00 H new ATOM 1025 N CYS A 67 17.890 -9.661 -3.649 1.00 0.00 N ATOM 1026 CA CYS A 67 17.795 -8.346 -3.039 1.00 0.00 C ATOM 1027 C CYS A 67 16.943 -7.479 -3.960 1.00 0.00 C ATOM 1028 O CYS A 67 16.806 -7.780 -5.152 1.00 0.00 O ATOM 1029 CB CYS A 67 19.194 -7.754 -2.818 1.00 0.00 C ATOM 1030 SG CYS A 67 20.177 -7.831 -4.343 1.00 0.00 S ATOM 0 H CYS A 67 18.037 -9.621 -4.658 1.00 0.00 H new ATOM 0 HA CYS A 67 17.328 -8.401 -2.056 1.00 0.00 H new ATOM 0 HB2 CYS A 67 19.107 -6.719 -2.488 1.00 0.00 H new ATOM 0 HB3 CYS A 67 19.703 -8.300 -2.024 1.00 0.00 H new ATOM 0 HG CYS A 67 21.353 -7.322 -4.127 1.00 0.00 H new ATOM 1036 N PHE A 68 16.379 -6.403 -3.426 1.00 0.00 N ATOM 1037 CA PHE A 68 15.526 -5.483 -4.169 1.00 0.00 C ATOM 1038 C PHE A 68 15.523 -4.126 -3.481 1.00 0.00 C ATOM 1039 O PHE A 68 16.084 -4.010 -2.391 1.00 0.00 O ATOM 1040 CB PHE A 68 14.109 -6.071 -4.270 1.00 0.00 C ATOM 1041 CG PHE A 68 13.467 -6.482 -2.959 1.00 0.00 C ATOM 1042 CD1 PHE A 68 12.928 -5.514 -2.100 1.00 0.00 C ATOM 1043 CD2 PHE A 68 13.392 -7.841 -2.605 1.00 0.00 C ATOM 1044 CE1 PHE A 68 12.307 -5.894 -0.897 1.00 0.00 C ATOM 1045 CE2 PHE A 68 12.757 -8.216 -1.409 1.00 0.00 C ATOM 1046 CZ PHE A 68 12.211 -7.248 -0.552 1.00 0.00 C ATOM 0 H PHE A 68 16.503 -6.140 -2.448 1.00 0.00 H new ATOM 0 HA PHE A 68 15.908 -5.346 -5.181 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.465 -5.336 -4.753 1.00 0.00 H new ATOM 0 HB3 PHE A 68 14.144 -6.942 -4.924 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.990 -4.469 -2.364 1.00 0.00 H new ATOM 0 HD2 PHE A 68 13.821 -8.594 -3.250 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.903 -5.140 -0.238 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.688 -9.261 -1.146 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.722 -7.544 0.364 1.00 0.00 H new ATOM 1056 N ASP A 69 14.852 -3.130 -4.065 1.00 0.00 N ATOM 1057 CA ASP A 69 14.726 -1.771 -3.534 1.00 0.00 C ATOM 1058 C ASP A 69 13.271 -1.511 -3.140 1.00 0.00 C ATOM 1059 O ASP A 69 12.356 -1.902 -3.878 1.00 0.00 O ATOM 1060 CB ASP A 69 15.102 -0.736 -4.598 1.00 0.00 C ATOM 1061 CG ASP A 69 16.598 -0.565 -4.785 1.00 0.00 C ATOM 1062 OD1 ASP A 69 17.204 0.226 -4.028 1.00 0.00 O ATOM 1063 OD2 ASP A 69 17.149 -1.212 -5.703 1.00 0.00 O ATOM 0 H ASP A 69 14.364 -3.253 -4.952 1.00 0.00 H new ATOM 0 HA ASP A 69 15.391 -1.683 -2.675 1.00 0.00 H new ATOM 0 HB2 ASP A 69 14.658 -1.029 -5.549 1.00 0.00 H new ATOM 0 HB3 ASP A 69 14.667 0.226 -4.326 1.00 0.00 H new ATOM 1068 N VAL A 70 13.046 -0.814 -2.020 1.00 0.00 N ATOM 1069 CA VAL A 70 11.724 -0.338 -1.609 1.00 0.00 C ATOM 1070 C VAL A 70 11.780 1.113 -1.117 1.00 0.00 C ATOM 1071 O VAL A 70 12.855 1.568 -0.708 1.00 0.00 O ATOM 1072 CB VAL A 70 11.168 -1.218 -0.476 1.00 0.00 C ATOM 1073 CG1 VAL A 70 10.912 -2.648 -0.936 1.00 0.00 C ATOM 1074 CG2 VAL A 70 12.044 -1.145 0.786 1.00 0.00 C ATOM 0 H VAL A 70 13.788 -0.563 -1.367 1.00 0.00 H new ATOM 0 HA VAL A 70 11.074 -0.393 -2.482 1.00 0.00 H new ATOM 0 HB VAL A 70 10.196 -0.811 -0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.520 -3.233 -0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 70 10.187 -2.644 -1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 70 11.845 -3.091 -1.283 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.617 -1.780 1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 70 13.051 -1.488 0.550 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.085 -0.115 1.141 1.00 0.00 H new ATOM 1084 N PRO A 71 10.636 1.822 -1.070 1.00 0.00 N ATOM 1085 CA PRO A 71 10.519 3.113 -0.406 1.00 0.00 C ATOM 1086 C PRO A 71 10.727 3.000 1.100 1.00 0.00 C ATOM 1087 O PRO A 71 10.105 2.171 1.770 1.00 0.00 O ATOM 1088 CB PRO A 71 9.107 3.611 -0.698 1.00 0.00 C ATOM 1089 CG PRO A 71 8.329 2.333 -1.006 1.00 0.00 C ATOM 1090 CD PRO A 71 9.365 1.449 -1.675 1.00 0.00 C ATOM 0 HA PRO A 71 11.284 3.797 -0.773 1.00 0.00 H new ATOM 0 HB2 PRO A 71 8.685 4.141 0.156 1.00 0.00 H new ATOM 0 HB3 PRO A 71 9.092 4.302 -1.541 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.933 1.874 -0.100 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.480 2.526 -1.662 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.146 0.394 -1.512 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.381 1.608 -2.753 1.00 0.00 H new ATOM 1098 N THR A 72 11.539 3.896 1.644 1.00 0.00 N ATOM 1099 CA THR A 72 11.869 3.984 3.060 1.00 0.00 C ATOM 1100 C THR A 72 10.604 4.277 3.876 1.00 0.00 C ATOM 1101 O THR A 72 10.382 3.658 4.918 1.00 0.00 O ATOM 1102 CB THR A 72 12.955 5.057 3.236 1.00 0.00 C ATOM 1103 OG1 THR A 72 14.004 4.818 2.322 1.00 0.00 O ATOM 1104 CG2 THR A 72 13.573 5.088 4.632 1.00 0.00 C ATOM 0 H THR A 72 12.006 4.612 1.087 1.00 0.00 H new ATOM 0 HA THR A 72 12.263 3.038 3.432 1.00 0.00 H new ATOM 0 HB THR A 72 12.458 6.012 3.064 1.00 0.00 H new ATOM 0 HG1 THR A 72 14.848 5.139 2.702 1.00 0.00 H new ATOM 0 HG21 THR A 72 14.330 5.871 4.677 1.00 0.00 H new ATOM 0 HG22 THR A 72 12.796 5.291 5.369 1.00 0.00 H new ATOM 0 HG23 THR A 72 14.034 4.124 4.847 1.00 0.00 H new ATOM 1112 N ALA A 73 9.738 5.165 3.374 1.00 0.00 N ATOM 1113 CA ALA A 73 8.486 5.573 4.008 1.00 0.00 C ATOM 1114 C ALA A 73 7.419 4.467 4.045 1.00 0.00 C ATOM 1115 O ALA A 73 6.350 4.682 4.623 1.00 0.00 O ATOM 1116 CB ALA A 73 7.934 6.809 3.289 1.00 0.00 C ATOM 0 H ALA A 73 9.899 5.634 2.483 1.00 0.00 H new ATOM 0 HA ALA A 73 8.720 5.801 5.048 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.000 7.116 3.759 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.658 7.621 3.354 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.751 6.569 2.242 1.00 0.00 H new ATOM 1122 N SER A 74 7.677 3.298 3.446 1.00 0.00 N ATOM 1123 CA SER A 74 6.799 2.143 3.561 1.00 0.00 C ATOM 1124 C SER A 74 7.477 0.959 4.265 1.00 0.00 C ATOM 1125 O SER A 74 6.747 0.041 4.630 1.00 0.00 O ATOM 1126 CB SER A 74 6.241 1.795 2.168 1.00 0.00 C ATOM 1127 OG SER A 74 4.827 1.701 2.179 1.00 0.00 O ATOM 0 H SER A 74 8.502 3.133 2.869 1.00 0.00 H new ATOM 0 HA SER A 74 5.958 2.394 4.208 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.550 2.556 1.452 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.666 0.849 1.831 1.00 0.00 H new ATOM 0 HG SER A 74 4.458 2.241 1.450 1.00 0.00 H new ATOM 1133 N VAL A 75 8.802 0.975 4.517 1.00 0.00 N ATOM 1134 CA VAL A 75 9.534 -0.171 5.082 1.00 0.00 C ATOM 1135 C VAL A 75 8.814 -0.705 6.312 1.00 0.00 C ATOM 1136 O VAL A 75 8.575 -1.910 6.402 1.00 0.00 O ATOM 1137 CB VAL A 75 11.007 0.185 5.403 1.00 0.00 C ATOM 1138 CG1 VAL A 75 11.734 -0.876 6.250 1.00 0.00 C ATOM 1139 CG2 VAL A 75 11.827 0.339 4.119 1.00 0.00 C ATOM 0 H VAL A 75 9.393 1.786 4.333 1.00 0.00 H new ATOM 0 HA VAL A 75 9.557 -0.957 4.327 1.00 0.00 H new ATOM 0 HB VAL A 75 10.943 1.116 5.967 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.760 -0.555 6.433 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.217 -0.999 7.202 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.741 -1.826 5.716 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.857 0.589 4.373 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.808 -0.597 3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.401 1.135 3.508 1.00 0.00 H new ATOM 1149 N THR A 76 8.462 0.194 7.229 1.00 0.00 N ATOM 1150 CA THR A 76 7.894 -0.127 8.519 1.00 0.00 C ATOM 1151 C THR A 76 6.684 -1.044 8.384 1.00 0.00 C ATOM 1152 O THR A 76 6.529 -1.947 9.202 1.00 0.00 O ATOM 1153 CB THR A 76 7.527 1.189 9.238 1.00 0.00 C ATOM 1154 OG1 THR A 76 8.391 2.250 8.848 1.00 0.00 O ATOM 1155 CG2 THR A 76 7.525 1.064 10.761 1.00 0.00 C ATOM 0 H THR A 76 8.572 1.197 7.081 1.00 0.00 H new ATOM 0 HA THR A 76 8.629 -0.671 9.112 1.00 0.00 H new ATOM 0 HB THR A 76 6.507 1.417 8.928 1.00 0.00 H new ATOM 0 HG1 THR A 76 8.134 3.071 9.318 1.00 0.00 H new ATOM 0 HG21 THR A 76 7.259 2.024 11.204 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.798 0.311 11.063 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.517 0.768 11.103 1.00 0.00 H new ATOM 1163 N GLU A 77 5.855 -0.829 7.359 1.00 0.00 N ATOM 1164 CA GLU A 77 4.624 -1.567 7.134 1.00 0.00 C ATOM 1165 C GLU A 77 4.918 -3.009 6.709 1.00 0.00 C ATOM 1166 O GLU A 77 4.289 -3.931 7.218 1.00 0.00 O ATOM 1167 CB GLU A 77 3.792 -0.816 6.084 1.00 0.00 C ATOM 1168 CG GLU A 77 2.411 -1.443 5.859 1.00 0.00 C ATOM 1169 CD GLU A 77 1.519 -0.562 4.978 1.00 0.00 C ATOM 1170 OE1 GLU A 77 2.037 0.221 4.139 1.00 0.00 O ATOM 1171 OE2 GLU A 77 0.282 -0.724 5.024 1.00 0.00 O ATOM 0 H GLU A 77 6.032 -0.118 6.649 1.00 0.00 H new ATOM 0 HA GLU A 77 4.053 -1.631 8.060 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.668 0.220 6.399 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.336 -0.800 5.140 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.528 -2.421 5.393 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.925 -1.604 6.821 1.00 0.00 H new ATOM 1178 N ILE A 78 5.869 -3.225 5.794 1.00 0.00 N ATOM 1179 CA ILE A 78 6.250 -4.576 5.380 1.00 0.00 C ATOM 1180 C ILE A 78 6.830 -5.324 6.569 1.00 0.00 C ATOM 1181 O ILE A 78 6.359 -6.424 6.831 1.00 0.00 O ATOM 1182 CB ILE A 78 7.193 -4.541 4.164 1.00 0.00 C ATOM 1183 CG1 ILE A 78 6.385 -4.016 2.950 1.00 0.00 C ATOM 1184 CG2 ILE A 78 7.818 -5.917 3.880 1.00 0.00 C ATOM 1185 CD1 ILE A 78 6.739 -2.576 2.592 1.00 0.00 C ATOM 0 H ILE A 78 6.388 -2.481 5.327 1.00 0.00 H new ATOM 0 HA ILE A 78 5.367 -5.122 5.049 1.00 0.00 H new ATOM 0 HB ILE A 78 8.031 -3.874 4.369 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.571 -4.658 2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.320 -4.081 3.171 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.476 -5.846 3.014 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.393 -6.241 4.747 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.028 -6.640 3.677 1.00 0.00 H new ATOM 0 HD11 ILE A 78 6.145 -2.257 1.735 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.527 -1.927 3.442 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.798 -2.513 2.343 1.00 0.00 H new ATOM 1197 N GLN A 79 7.801 -4.759 7.294 1.00 0.00 N ATOM 1198 CA GLN A 79 8.344 -5.439 8.467 1.00 0.00 C ATOM 1199 C GLN A 79 7.216 -5.764 9.473 1.00 0.00 C ATOM 1200 O GLN A 79 7.179 -6.873 9.996 1.00 0.00 O ATOM 1201 CB GLN A 79 9.494 -4.657 9.104 1.00 0.00 C ATOM 1202 CG GLN A 79 10.564 -4.181 8.111 1.00 0.00 C ATOM 1203 CD GLN A 79 11.363 -5.238 7.340 1.00 0.00 C ATOM 1204 OE1 GLN A 79 10.819 -6.050 6.601 1.00 0.00 O ATOM 1205 NE2 GLN A 79 12.687 -5.154 7.370 1.00 0.00 N ATOM 0 H GLN A 79 8.218 -3.850 7.092 1.00 0.00 H new ATOM 0 HA GLN A 79 8.776 -6.385 8.141 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.085 -3.790 9.622 1.00 0.00 H new ATOM 0 HB3 GLN A 79 9.969 -5.284 9.859 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.076 -3.535 7.381 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.274 -3.562 8.659 1.00 0.00 H new ATOM 0 HE21 GLN A 79 13.141 -4.479 7.985 1.00 0.00 H new ATOM 0 HE22 GLN A 79 13.250 -5.765 6.778 1.00 0.00 H new ATOM 1214 N GLU A 80 6.249 -4.854 9.673 1.00 0.00 N ATOM 1215 CA GLU A 80 5.078 -5.037 10.531 1.00 0.00 C ATOM 1216 C GLU A 80 4.141 -6.153 10.060 1.00 0.00 C ATOM 1217 O GLU A 80 3.383 -6.685 10.874 1.00 0.00 O ATOM 1218 CB GLU A 80 4.272 -3.723 10.535 1.00 0.00 C ATOM 1219 CG GLU A 80 4.599 -2.786 11.693 1.00 0.00 C ATOM 1220 CD GLU A 80 3.818 -3.180 12.946 1.00 0.00 C ATOM 1221 OE1 GLU A 80 4.232 -4.160 13.612 1.00 0.00 O ATOM 1222 OE2 GLU A 80 2.801 -2.510 13.244 1.00 0.00 O ATOM 0 H GLU A 80 6.266 -3.939 9.223 1.00 0.00 H new ATOM 0 HA GLU A 80 5.448 -5.313 11.518 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.452 -3.198 9.597 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.209 -3.963 10.567 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.669 -2.817 11.901 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.357 -1.760 11.416 1.00 0.00 H new ATOM 1229 N LYS A 81 4.121 -6.458 8.763 1.00 0.00 N ATOM 1230 CA LYS A 81 3.147 -7.344 8.125 1.00 0.00 C ATOM 1231 C LYS A 81 3.797 -8.629 7.628 1.00 0.00 C ATOM 1232 O LYS A 81 3.101 -9.501 7.106 1.00 0.00 O ATOM 1233 CB LYS A 81 2.466 -6.577 6.976 1.00 0.00 C ATOM 1234 CG LYS A 81 1.422 -5.567 7.492 1.00 0.00 C ATOM 1235 CD LYS A 81 -0.011 -6.107 7.392 1.00 0.00 C ATOM 1236 CE LYS A 81 -0.166 -7.504 8.010 1.00 0.00 C ATOM 1237 NZ LYS A 81 -1.491 -8.097 7.756 1.00 0.00 N ATOM 0 H LYS A 81 4.805 -6.083 8.106 1.00 0.00 H new ATOM 0 HA LYS A 81 2.398 -7.644 8.858 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.222 -6.051 6.394 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.983 -7.286 6.304 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.642 -5.319 8.530 1.00 0.00 H new ATOM 0 HG3 LYS A 81 1.500 -4.643 6.920 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.690 -5.416 7.892 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.308 -6.144 6.344 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.605 -8.162 7.608 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.001 -7.441 9.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.540 -9.038 8.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.228 -7.486 8.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.641 -8.185 6.731 1.00 0.00 H new ATOM 1251 N TRP A 82 5.111 -8.765 7.751 1.00 0.00 N ATOM 1252 CA TRP A 82 5.830 -9.986 7.509 1.00 0.00 C ATOM 1253 C TRP A 82 5.716 -10.867 8.762 1.00 0.00 C ATOM 1254 O TRP A 82 5.153 -10.469 9.778 1.00 0.00 O ATOM 1255 CB TRP A 82 7.268 -9.571 7.165 1.00 0.00 C ATOM 1256 CG TRP A 82 8.165 -10.665 6.709 1.00 0.00 C ATOM 1257 CD1 TRP A 82 9.197 -11.159 7.416 1.00 0.00 C ATOM 1258 CD2 TRP A 82 8.099 -11.452 5.490 1.00 0.00 C ATOM 1259 NE1 TRP A 82 9.782 -12.192 6.711 1.00 0.00 N ATOM 1260 CE2 TRP A 82 9.102 -12.458 5.540 1.00 0.00 C ATOM 1261 CE3 TRP A 82 7.249 -11.449 4.370 1.00 0.00 C ATOM 1262 CZ2 TRP A 82 9.234 -13.428 4.532 1.00 0.00 C ATOM 1263 CZ3 TRP A 82 7.330 -12.464 3.399 1.00 0.00 C ATOM 1264 CH2 TRP A 82 8.314 -13.460 3.475 1.00 0.00 C ATOM 0 H TRP A 82 5.717 -7.994 8.033 1.00 0.00 H new ATOM 0 HA TRP A 82 5.437 -10.579 6.683 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.230 -8.809 6.386 1.00 0.00 H new ATOM 0 HB3 TRP A 82 7.712 -9.105 8.045 1.00 0.00 H new ATOM 0 HD1 TRP A 82 9.518 -10.803 8.384 1.00 0.00 H new ATOM 0 HE1 TRP A 82 10.614 -12.696 7.018 1.00 0.00 H new ATOM 0 HE3 TRP A 82 6.524 -10.657 4.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 10.040 -14.145 4.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 6.623 -12.476 2.582 1.00 0.00 H new ATOM 0 HH2 TRP A 82 8.362 -14.240 2.730 1.00 0.00 H new ATOM 1275 N HIS A 83 6.266 -12.074 8.680 1.00 0.00 N ATOM 1276 CA HIS A 83 6.771 -12.844 9.804 1.00 0.00 C ATOM 1277 C HIS A 83 7.899 -13.687 9.214 1.00 0.00 C ATOM 1278 O HIS A 83 7.816 -14.077 8.042 1.00 0.00 O ATOM 1279 CB HIS A 83 5.703 -13.760 10.432 1.00 0.00 C ATOM 1280 CG HIS A 83 5.130 -13.300 11.748 1.00 0.00 C ATOM 1281 ND1 HIS A 83 5.531 -13.722 12.998 1.00 0.00 N ATOM 1282 CD2 HIS A 83 4.019 -12.518 11.908 1.00 0.00 C ATOM 1283 CE1 HIS A 83 4.664 -13.217 13.893 1.00 0.00 C ATOM 1284 NE2 HIS A 83 3.704 -12.508 13.272 1.00 0.00 N ATOM 0 H HIS A 83 6.375 -12.560 7.790 1.00 0.00 H new ATOM 0 HA HIS A 83 7.094 -12.184 10.609 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.884 -13.871 9.721 1.00 0.00 H new ATOM 0 HB3 HIS A 83 6.139 -14.749 10.574 1.00 0.00 H new ATOM 0 HD2 HIS A 83 3.483 -12.002 11.125 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.729 -13.361 14.961 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.903 -12.052 13.709 1.00 0.00 H new ATOM 1292 N ASP A 84 8.932 -13.982 10.002 1.00 0.00 N ATOM 1293 CA ASP A 84 9.901 -15.025 9.683 1.00 0.00 C ATOM 1294 C ASP A 84 9.216 -16.384 9.480 1.00 0.00 C ATOM 1295 O ASP A 84 8.106 -16.623 9.966 1.00 0.00 O ATOM 1296 CB ASP A 84 11.024 -15.106 10.720 1.00 0.00 C ATOM 1297 CG ASP A 84 10.617 -15.735 12.053 1.00 0.00 C ATOM 1298 OD1 ASP A 84 10.417 -16.964 12.132 1.00 0.00 O ATOM 1299 OD2 ASP A 84 10.550 -14.988 13.058 1.00 0.00 O ATOM 0 H ASP A 84 9.119 -13.502 10.882 1.00 0.00 H new ATOM 0 HA ASP A 84 10.367 -14.749 8.737 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.849 -15.681 10.299 1.00 0.00 H new ATOM 0 HB3 ASP A 84 11.400 -14.100 10.908 1.00 0.00 H new ATOM 1304 N SER A 85 9.866 -17.260 8.712 1.00 0.00 N ATOM 1305 CA SER A 85 9.324 -18.535 8.261 1.00 0.00 C ATOM 1306 C SER A 85 10.416 -19.613 8.330 1.00 0.00 C ATOM 1307 O SER A 85 11.556 -19.325 8.709 1.00 0.00 O ATOM 1308 CB SER A 85 8.741 -18.346 6.849 1.00 0.00 C ATOM 1309 OG SER A 85 7.880 -17.217 6.785 1.00 0.00 O ATOM 0 H SER A 85 10.815 -17.092 8.378 1.00 0.00 H new ATOM 0 HA SER A 85 8.515 -18.875 8.908 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.554 -18.226 6.132 1.00 0.00 H new ATOM 0 HB3 SER A 85 8.190 -19.241 6.559 1.00 0.00 H new ATOM 0 HG SER A 85 7.528 -17.125 5.875 1.00 0.00 H new ATOM 1315 N ARG A 86 10.092 -20.864 7.984 1.00 0.00 N ATOM 1316 CA ARG A 86 11.042 -21.979 8.054 1.00 0.00 C ATOM 1317 C ARG A 86 12.183 -21.816 7.057 1.00 0.00 C ATOM 1318 O ARG A 86 13.282 -22.310 7.295 1.00 0.00 O ATOM 1319 CB ARG A 86 10.341 -23.314 7.747 1.00 0.00 C ATOM 1320 CG ARG A 86 9.172 -23.652 8.681 1.00 0.00 C ATOM 1321 CD ARG A 86 8.613 -25.025 8.298 1.00 0.00 C ATOM 1322 NE ARG A 86 7.560 -25.461 9.221 1.00 0.00 N ATOM 1323 CZ ARG A 86 7.573 -26.534 10.014 1.00 0.00 C ATOM 1324 NH1 ARG A 86 8.669 -27.274 10.159 1.00 0.00 N ATOM 1325 NH2 ARG A 86 6.472 -26.870 10.677 1.00 0.00 N ATOM 0 H ARG A 86 9.167 -21.131 7.649 1.00 0.00 H new ATOM 0 HA ARG A 86 11.441 -21.979 9.068 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.973 -23.289 6.721 1.00 0.00 H new ATOM 0 HB3 ARG A 86 11.077 -24.116 7.802 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.507 -23.657 9.718 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.394 -22.893 8.601 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.214 -24.985 7.284 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.420 -25.758 8.295 1.00 0.00 H new ATOM 0 HE ARG A 86 6.724 -24.878 9.261 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.522 -27.025 9.659 1.00 0.00 H new ATOM 0 HH12 ARG A 86 8.656 -28.090 10.771 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.626 -26.309 10.578 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.473 -27.689 11.285 1.00 0.00 H new ATOM 1339 N ARG A 87 11.903 -21.210 5.905 1.00 0.00 N ATOM 1340 CA ARG A 87 12.748 -21.260 4.713 1.00 0.00 C ATOM 1341 C ARG A 87 13.072 -19.849 4.208 1.00 0.00 C ATOM 1342 O ARG A 87 13.671 -19.709 3.136 1.00 0.00 O ATOM 1343 CB ARG A 87 12.004 -22.120 3.671 1.00 0.00 C ATOM 1344 CG ARG A 87 12.905 -22.725 2.583 1.00 0.00 C ATOM 1345 CD ARG A 87 12.103 -23.063 1.330 1.00 0.00 C ATOM 1346 NE ARG A 87 11.303 -24.290 1.441 1.00 0.00 N ATOM 1347 CZ ARG A 87 10.125 -24.475 0.832 1.00 0.00 C ATOM 1348 NH1 ARG A 87 9.560 -23.527 0.097 1.00 0.00 N ATOM 1349 NH2 ARG A 87 9.501 -25.630 0.948 1.00 0.00 N ATOM 0 H ARG A 87 11.058 -20.655 5.771 1.00 0.00 H new ATOM 0 HA ARG A 87 13.716 -21.712 4.929 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.488 -22.929 4.188 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.239 -21.508 3.193 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.699 -22.022 2.332 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.386 -23.626 2.964 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.439 -22.229 1.101 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.789 -23.165 0.489 1.00 0.00 H new ATOM 0 HE ARG A 87 11.668 -25.048 2.018 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.024 -22.626 -0.017 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.662 -23.699 -0.354 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.916 -26.380 1.501 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.603 -25.774 0.485 1.00 0.00 H new ATOM 1363 N TRP A 88 12.608 -18.805 4.901 1.00 0.00 N ATOM 1364 CA TRP A 88 12.791 -17.399 4.554 1.00 0.00 C ATOM 1365 C TRP A 88 13.036 -16.621 5.834 1.00 0.00 C ATOM 1366 O TRP A 88 12.417 -16.905 6.866 1.00 0.00 O ATOM 1367 CB TRP A 88 11.540 -16.834 3.880 1.00 0.00 C ATOM 1368 CG TRP A 88 11.246 -17.364 2.518 1.00 0.00 C ATOM 1369 CD1 TRP A 88 10.424 -18.398 2.247 1.00 0.00 C ATOM 1370 CD2 TRP A 88 11.700 -16.870 1.224 1.00 0.00 C ATOM 1371 NE1 TRP A 88 10.311 -18.558 0.883 1.00 0.00 N ATOM 1372 CE2 TRP A 88 11.029 -17.603 0.200 1.00 0.00 C ATOM 1373 CE3 TRP A 88 12.583 -15.852 0.810 1.00 0.00 C ATOM 1374 CZ2 TRP A 88 11.183 -17.312 -1.161 1.00 0.00 C ATOM 1375 CZ3 TRP A 88 12.767 -15.570 -0.555 1.00 0.00 C ATOM 1376 CH2 TRP A 88 12.078 -16.300 -1.533 1.00 0.00 C ATOM 0 H TRP A 88 12.070 -18.927 5.759 1.00 0.00 H new ATOM 0 HA TRP A 88 13.632 -17.312 3.866 1.00 0.00 H new ATOM 0 HB2 TRP A 88 10.682 -17.035 4.521 1.00 0.00 H new ATOM 0 HB3 TRP A 88 11.642 -15.751 3.814 1.00 0.00 H new ATOM 0 HD1 TRP A 88 9.929 -19.009 2.987 1.00 0.00 H new ATOM 0 HE1 TRP A 88 9.763 -19.293 0.435 1.00 0.00 H new ATOM 0 HE3 TRP A 88 13.125 -15.282 1.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 10.624 -17.856 -1.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 13.445 -14.784 -0.853 1.00 0.00 H new ATOM 0 HH2 TRP A 88 12.238 -16.081 -2.579 1.00 0.00 H new ATOM 1387 N GLN A 89 13.881 -15.599 5.733 1.00 0.00 N ATOM 1388 CA GLN A 89 13.827 -14.422 6.577 1.00 0.00 C ATOM 1389 C GLN A 89 13.868 -13.216 5.642 1.00 0.00 C ATOM 1390 O GLN A 89 14.353 -13.328 4.509 1.00 0.00 O ATOM 1391 CB GLN A 89 15.001 -14.382 7.567 1.00 0.00 C ATOM 1392 CG GLN A 89 14.927 -15.431 8.685 1.00 0.00 C ATOM 1393 CD GLN A 89 15.510 -16.794 8.314 1.00 0.00 C ATOM 1394 OE1 GLN A 89 16.715 -16.939 8.133 1.00 0.00 O ATOM 1395 NE2 GLN A 89 14.683 -17.825 8.233 1.00 0.00 N ATOM 0 H GLN A 89 14.635 -15.571 5.047 1.00 0.00 H new ATOM 0 HA GLN A 89 12.919 -14.426 7.180 1.00 0.00 H new ATOM 0 HB2 GLN A 89 15.930 -14.523 7.015 1.00 0.00 H new ATOM 0 HB3 GLN A 89 15.045 -13.391 8.018 1.00 0.00 H new ATOM 0 HG2 GLN A 89 15.455 -15.050 9.559 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.884 -15.562 8.974 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.684 -17.690 8.386 1.00 0.00 H new ATOM 0 HE22 GLN A 89 15.045 -18.754 8.018 1.00 0.00 H new ATOM 1404 N LEU A 90 13.401 -12.066 6.130 1.00 0.00 N ATOM 1405 CA LEU A 90 13.645 -10.768 5.518 1.00 0.00 C ATOM 1406 C LEU A 90 14.674 -10.057 6.379 1.00 0.00 C ATOM 1407 O LEU A 90 14.514 -9.978 7.598 1.00 0.00 O ATOM 1408 CB LEU A 90 12.346 -9.944 5.408 1.00 0.00 C ATOM 1409 CG LEU A 90 11.893 -9.766 3.950 1.00 0.00 C ATOM 1410 CD1 LEU A 90 11.554 -11.099 3.261 1.00 0.00 C ATOM 1411 CD2 LEU A 90 10.672 -8.840 3.878 1.00 0.00 C ATOM 0 H LEU A 90 12.834 -12.014 6.976 1.00 0.00 H new ATOM 0 HA LEU A 90 14.014 -10.891 4.500 1.00 0.00 H new ATOM 0 HB2 LEU A 90 11.556 -10.437 5.974 1.00 0.00 H new ATOM 0 HB3 LEU A 90 12.500 -8.965 5.861 1.00 0.00 H new ATOM 0 HG LEU A 90 12.736 -9.323 3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.241 -10.909 2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 90 12.434 -11.742 3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 90 10.746 -11.593 3.801 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.364 -8.724 2.839 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.853 -9.272 4.453 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.930 -7.865 4.291 1.00 0.00 H new ATOM 1423 N SER A 91 15.709 -9.525 5.744 1.00 0.00 N ATOM 1424 CA SER A 91 16.808 -8.818 6.377 1.00 0.00 C ATOM 1425 C SER A 91 17.079 -7.558 5.539 1.00 0.00 C ATOM 1426 O SER A 91 16.459 -7.373 4.487 1.00 0.00 O ATOM 1427 CB SER A 91 18.008 -9.767 6.501 1.00 0.00 C ATOM 1428 OG SER A 91 17.662 -10.966 7.186 1.00 0.00 O ATOM 0 H SER A 91 15.808 -9.578 4.730 1.00 0.00 H new ATOM 0 HA SER A 91 16.581 -8.496 7.393 1.00 0.00 H new ATOM 0 HB2 SER A 91 18.383 -10.011 5.507 1.00 0.00 H new ATOM 0 HB3 SER A 91 18.816 -9.264 7.032 1.00 0.00 H new ATOM 0 HG SER A 91 18.449 -11.547 7.246 1.00 0.00 H new ATOM 1434 N VAL A 92 17.924 -6.633 6.001 1.00 0.00 N ATOM 1435 CA VAL A 92 18.012 -5.288 5.419 1.00 0.00 C ATOM 1436 C VAL A 92 19.472 -4.868 5.332 1.00 0.00 C ATOM 1437 O VAL A 92 20.306 -5.282 6.138 1.00 0.00 O ATOM 1438 CB VAL A 92 17.147 -4.307 6.240 1.00 0.00 C ATOM 1439 CG1 VAL A 92 17.228 -2.839 5.800 1.00 0.00 C ATOM 1440 CG2 VAL A 92 15.681 -4.684 6.036 1.00 0.00 C ATOM 0 H VAL A 92 18.562 -6.791 6.781 1.00 0.00 H new ATOM 0 HA VAL A 92 17.616 -5.282 4.403 1.00 0.00 H new ATOM 0 HB VAL A 92 17.519 -4.387 7.261 1.00 0.00 H new ATOM 0 HG11 VAL A 92 16.586 -2.232 6.438 1.00 0.00 H new ATOM 0 HG12 VAL A 92 18.257 -2.490 5.884 1.00 0.00 H new ATOM 0 HG13 VAL A 92 16.899 -2.751 4.765 1.00 0.00 H new ATOM 0 HG21 VAL A 92 15.048 -4.005 6.607 1.00 0.00 H new ATOM 0 HG22 VAL A 92 15.430 -4.611 4.978 1.00 0.00 H new ATOM 0 HG23 VAL A 92 15.517 -5.706 6.378 1.00 0.00 H new ATOM 1450 N ALA A 93 19.767 -4.038 4.337 1.00 0.00 N ATOM 1451 CA ALA A 93 21.114 -3.514 4.120 1.00 0.00 C ATOM 1452 C ALA A 93 21.509 -2.594 5.278 1.00 0.00 C ATOM 1453 O ALA A 93 20.732 -1.708 5.640 1.00 0.00 O ATOM 1454 CB ALA A 93 21.153 -2.746 2.798 1.00 0.00 C ATOM 0 H ALA A 93 19.081 -3.709 3.658 1.00 0.00 H new ATOM 0 HA ALA A 93 21.823 -4.341 4.075 1.00 0.00 H new ATOM 0 HB1 ALA A 93 22.157 -2.354 2.634 1.00 0.00 H new ATOM 0 HB2 ALA A 93 20.887 -3.416 1.980 1.00 0.00 H new ATOM 0 HB3 ALA A 93 20.443 -1.920 2.836 1.00 0.00 H new ATOM 1460 N THR A 94 22.692 -2.782 5.871 1.00 0.00 N ATOM 1461 CA THR A 94 23.225 -1.817 6.835 1.00 0.00 C ATOM 1462 C THR A 94 23.681 -0.550 6.099 1.00 0.00 C ATOM 1463 O THR A 94 23.353 0.559 6.528 1.00 0.00 O ATOM 1464 CB THR A 94 24.364 -2.448 7.650 1.00 0.00 C ATOM 1465 OG1 THR A 94 23.899 -3.665 8.199 1.00 0.00 O ATOM 1466 CG2 THR A 94 24.805 -1.534 8.795 1.00 0.00 C ATOM 0 H THR A 94 23.294 -3.588 5.702 1.00 0.00 H new ATOM 0 HA THR A 94 22.443 -1.534 7.539 1.00 0.00 H new ATOM 0 HB THR A 94 25.216 -2.609 6.990 1.00 0.00 H new ATOM 0 HG1 THR A 94 24.615 -4.083 8.722 1.00 0.00 H new ATOM 0 HG21 THR A 94 25.612 -2.011 9.351 1.00 0.00 H new ATOM 0 HG22 THR A 94 25.156 -0.585 8.389 1.00 0.00 H new ATOM 0 HG23 THR A 94 23.962 -1.354 9.462 1.00 0.00 H new ATOM 1474 N GLU A 95 24.390 -0.718 4.984 1.00 0.00 N ATOM 1475 CA GLU A 95 24.617 0.282 3.955 1.00 0.00 C ATOM 1476 C GLU A 95 24.528 -0.501 2.650 1.00 0.00 C ATOM 1477 O GLU A 95 24.004 0.040 1.664 1.00 0.00 O ATOM 1478 CB GLU A 95 25.957 1.031 4.164 1.00 0.00 C ATOM 1479 CG GLU A 95 27.157 0.479 3.369 1.00 0.00 C ATOM 1480 CD GLU A 95 28.481 0.589 4.113 1.00 0.00 C ATOM 1481 OE1 GLU A 95 29.197 1.609 4.003 1.00 0.00 O ATOM 1482 OE2 GLU A 95 28.849 -0.409 4.786 1.00 0.00 O ATOM 0 H GLU A 95 24.844 -1.605 4.767 1.00 0.00 H new ATOM 0 HA GLU A 95 23.886 1.090 3.969 1.00 0.00 H new ATOM 0 HB2 GLU A 95 25.814 2.077 3.893 1.00 0.00 H new ATOM 0 HB3 GLU A 95 26.205 1.007 5.225 1.00 0.00 H new ATOM 0 HG2 GLU A 95 26.972 -0.567 3.126 1.00 0.00 H new ATOM 0 HG3 GLU A 95 27.235 1.016 2.424 1.00 0.00 H new TER 1489 GLU A 95