USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1003 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 42 THR OG1 : rot 76:sc= 1.63 USER MOD Set 1.2: B 68 SER OG : rot 150:sc= 0.498 USER MOD Set 2.1: B 8 THR OG1 : rot 180:sc= -2.22! USER MOD Set 2.2: B 11 GLN : amide:sc=-0.00556 K(o=-2.2,f=-3.3) USER MOD Set 3.1: A 43 ASN : amide:sc= 0.69 K(o=1.8,f=-0.79!) USER MOD Set 3.2: A 47 GLN : amide:sc= 1.14 K(o=1.8,f=-0.79) USER MOD Set 4.1: A 8 THR OG1 : rot 180:sc= 0.164 USER MOD Set 4.2: A 11 GLN :FLIP amide:sc= 0 F(o=-0.36,f=0.16) USER MOD Set 5.1: A 7 TYR OH : rot 71:sc= 0.396 USER MOD Set 5.2: B 29 SER OG : rot 155:sc= 1.42 USER MOD Single : A 14 LYS NZ :NH3+ -171:sc= 0.93 (180deg=0.842) USER MOD Single : A 25 LYS NZ :NH3+ 168:sc= -0.0184 (180deg=-0.175) USER MOD Single : A 26 HIS : no HD1:sc= 0.454 K(o=0.45,f=-5.2!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 64:sc= 0.41 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 1.21 K(o=1.2,f=-0.041) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.522 F(o=-1.3!,f=-0.52) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.233 F(o=-1.5,f=-0.23) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -167:sc= -0.0465 (180deg=-0.287) USER MOD Single : A 63 GLN : amide:sc= -0.125 K(o=-0.13,f=-0.8) USER MOD Single : A 66 MET CE :methyl -116:sc= 0 (180deg=-1.42) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -38:sc= 0.424 USER MOD Single : B 14 LYS NZ :NH3+ 151:sc= 1.23 (180deg=0.986) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 HIS : no HD1:sc= 0.36 K(o=0.36,f=-4.2!) USER MOD Single : B 33 THR OG1 : rot 73:sc= 1.28 USER MOD Single : B 35 MET CE :methyl 150:sc= -0.248 (180deg=-1.37) USER MOD Single : B 39 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.61!) USER MOD Single : B 42 THR OG1 : rot -78:sc= 1.02 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 46 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : B 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 52 SER OG : rot 180:sc= 0 USER MOD Single : B 53 GLN : amide:sc= -1.03 K(o=-1,f=-5!) USER MOD Single : B 55 LYS NZ :NH3+ 169:sc= 0.86 (180deg=0.706) USER MOD Single : B 60 LYS NZ :NH3+ 164:sc= -0.0323 (180deg=-0.315) USER MOD Single : B 63 GLN : amide:sc= 0.922 K(o=0.92,f=-0.12) USER MOD Single : B 66 MET CE :methyl -145:sc= -0.733 (180deg=-2.74) USER MOD Single : B 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 97 N TYR A 7 -5.377 5.401 15.610 1.00 0.00 N ATOM 98 CA TYR A 7 -5.626 6.815 15.846 1.00 0.00 C ATOM 99 C TYR A 7 -7.098 7.170 15.656 1.00 0.00 C ATOM 100 O TYR A 7 -7.920 6.322 15.302 1.00 0.00 O ATOM 101 CB TYR A 7 -4.786 7.664 14.895 1.00 0.00 C ATOM 102 CG TYR A 7 -3.303 7.370 14.942 1.00 0.00 C ATOM 103 CD1 TYR A 7 -2.514 7.827 15.991 1.00 0.00 C ATOM 104 CD2 TYR A 7 -2.692 6.645 13.928 1.00 0.00 C ATOM 105 CE1 TYR A 7 -1.155 7.576 16.020 1.00 0.00 C ATOM 106 CE2 TYR A 7 -1.339 6.386 13.954 1.00 0.00 C ATOM 107 CZ TYR A 7 -0.573 6.850 15.002 1.00 0.00 C ATOM 108 OH TYR A 7 0.783 6.611 15.013 1.00 0.00 O ATOM 0 HA TYR A 7 -5.350 7.023 16.880 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -5.143 7.509 13.877 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.943 8.716 15.131 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.969 8.386 16.795 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -3.287 6.278 13.105 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -0.552 7.947 16.836 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -0.880 5.821 13.156 1.00 0.00 H new ATOM 0 HH TYR A 7 0.997 5.976 15.728 1.00 0.00 H new ATOM 118 N THR A 8 -7.409 8.434 15.889 1.00 0.00 N ATOM 119 CA THR A 8 -8.754 8.955 15.720 1.00 0.00 C ATOM 120 C THR A 8 -9.260 8.720 14.293 1.00 0.00 C ATOM 121 O THR A 8 -8.589 9.083 13.321 1.00 0.00 O ATOM 122 CB THR A 8 -8.759 10.460 16.030 1.00 0.00 C ATOM 123 OG1 THR A 8 -7.605 10.784 16.820 1.00 0.00 O ATOM 124 CG2 THR A 8 -10.010 10.858 16.787 1.00 0.00 C ATOM 0 H THR A 8 -6.732 9.130 16.202 1.00 0.00 H new ATOM 0 HA THR A 8 -9.418 8.431 16.407 1.00 0.00 H new ATOM 0 HB THR A 8 -8.739 11.006 15.087 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.603 11.744 17.019 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.986 11.928 16.993 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.889 10.624 16.186 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.056 10.309 17.727 1.00 0.00 H new ATOM 132 N ASP A 9 -10.437 8.112 14.179 1.00 0.00 N ATOM 133 CA ASP A 9 -11.021 7.760 12.880 1.00 0.00 C ATOM 134 C ASP A 9 -11.146 8.973 11.968 1.00 0.00 C ATOM 135 O ASP A 9 -10.767 8.919 10.799 1.00 0.00 O ATOM 136 CB ASP A 9 -12.397 7.122 13.080 1.00 0.00 C ATOM 137 CG ASP A 9 -13.183 6.976 11.786 1.00 0.00 C ATOM 138 OD1 ASP A 9 -13.031 5.939 11.106 1.00 0.00 O ATOM 139 OD2 ASP A 9 -13.978 7.891 11.464 1.00 0.00 O ATOM 0 H ASP A 9 -11.014 7.849 14.978 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.350 7.048 12.400 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.272 6.139 13.535 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.972 7.727 13.781 1.00 0.00 H new ATOM 144 N GLU A 10 -11.661 10.068 12.513 1.00 0.00 N ATOM 145 CA GLU A 10 -11.871 11.287 11.741 1.00 0.00 C ATOM 146 C GLU A 10 -10.567 11.794 11.136 1.00 0.00 C ATOM 147 O GLU A 10 -10.562 12.333 10.032 1.00 0.00 O ATOM 148 CB GLU A 10 -12.530 12.384 12.589 1.00 0.00 C ATOM 149 CG GLU A 10 -12.114 12.394 14.053 1.00 0.00 C ATOM 150 CD GLU A 10 -12.940 11.444 14.900 1.00 0.00 C ATOM 151 OE1 GLU A 10 -12.578 10.255 14.992 1.00 0.00 O ATOM 152 OE2 GLU A 10 -13.955 11.882 15.473 1.00 0.00 O ATOM 0 H GLU A 10 -11.942 10.137 13.491 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.550 11.036 10.926 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.293 13.354 12.152 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.612 12.266 12.534 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.061 12.122 14.130 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.211 13.405 14.448 1.00 0.00 H new ATOM 159 N GLN A 11 -9.462 11.605 11.845 1.00 0.00 N ATOM 160 CA GLN A 11 -8.162 11.999 11.319 1.00 0.00 C ATOM 161 C GLN A 11 -7.811 11.134 10.118 1.00 0.00 C ATOM 162 O GLN A 11 -7.499 11.644 9.047 1.00 0.00 O ATOM 163 CB GLN A 11 -7.071 11.886 12.389 1.00 0.00 C ATOM 164 CG GLN A 11 -7.297 12.801 13.580 1.00 0.00 C ATOM 165 CD GLN A 11 -6.102 12.870 14.518 1.00 0.00 C ATOM 166 OE1 GLN A 11 -5.337 11.792 14.600 1.00 0.00 O flip ATOM 167 NE2 GLN A 11 -5.869 13.891 15.166 1.00 0.00 N flip ATOM 0 H GLN A 11 -9.439 11.186 12.775 1.00 0.00 H new ATOM 0 HA GLN A 11 -8.220 13.043 11.010 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.020 10.854 12.737 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.106 12.119 11.939 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.527 13.804 13.221 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.168 12.454 14.136 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -6.481 14.702 15.077 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.064 13.925 15.792 1.00 0.00 H new ATOM 176 N VAL A 12 -7.905 9.824 10.303 1.00 0.00 N ATOM 177 CA VAL A 12 -7.568 8.869 9.253 1.00 0.00 C ATOM 178 C VAL A 12 -8.458 9.063 8.024 1.00 0.00 C ATOM 179 O VAL A 12 -7.962 9.235 6.909 1.00 0.00 O ATOM 180 CB VAL A 12 -7.710 7.415 9.752 1.00 0.00 C ATOM 181 CG1 VAL A 12 -7.321 6.434 8.658 1.00 0.00 C ATOM 182 CG2 VAL A 12 -6.867 7.184 10.998 1.00 0.00 C ATOM 0 H VAL A 12 -8.214 9.395 11.176 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.529 9.053 8.978 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.755 7.247 10.012 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.428 5.415 9.029 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.971 6.576 7.794 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.285 6.607 8.365 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.984 6.152 11.330 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.819 7.375 10.769 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.194 7.859 11.789 1.00 0.00 H new ATOM 192 N GLU A 13 -9.766 9.050 8.255 1.00 0.00 N ATOM 193 CA GLU A 13 -10.763 9.157 7.191 1.00 0.00 C ATOM 194 C GLU A 13 -10.528 10.378 6.309 1.00 0.00 C ATOM 195 O GLU A 13 -10.481 10.275 5.083 1.00 0.00 O ATOM 196 CB GLU A 13 -12.166 9.249 7.802 1.00 0.00 C ATOM 197 CG GLU A 13 -13.253 9.586 6.793 1.00 0.00 C ATOM 198 CD GLU A 13 -14.554 9.987 7.452 1.00 0.00 C ATOM 199 OE1 GLU A 13 -14.716 11.181 7.788 1.00 0.00 O ATOM 200 OE2 GLU A 13 -15.421 9.113 7.646 1.00 0.00 O ATOM 0 H GLU A 13 -10.168 8.965 9.188 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.673 8.265 6.571 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.408 8.299 8.279 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.162 10.007 8.585 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.909 10.398 6.152 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.427 8.723 6.150 1.00 0.00 H new ATOM 207 N LYS A 14 -10.369 11.530 6.938 1.00 0.00 N ATOM 208 CA LYS A 14 -10.356 12.783 6.206 1.00 0.00 C ATOM 209 C LYS A 14 -9.007 13.032 5.544 1.00 0.00 C ATOM 210 O LYS A 14 -8.930 13.745 4.548 1.00 0.00 O ATOM 211 CB LYS A 14 -10.757 13.933 7.128 1.00 0.00 C ATOM 212 CG LYS A 14 -12.088 13.673 7.818 1.00 0.00 C ATOM 213 CD LYS A 14 -12.544 14.848 8.662 1.00 0.00 C ATOM 214 CE LYS A 14 -13.586 14.421 9.688 1.00 0.00 C ATOM 215 NZ LYS A 14 -14.715 13.662 9.082 1.00 0.00 N ATOM 0 H LYS A 14 -10.248 11.623 7.947 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.089 12.720 5.402 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.982 14.082 7.880 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.822 14.855 6.550 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.846 13.454 7.066 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.000 12.789 8.449 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.686 15.287 9.172 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.961 15.622 8.017 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.108 13.806 10.450 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.977 15.305 10.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.464 13.529 9.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.095 14.192 8.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.375 12.733 8.759 1.00 0.00 H new ATOM 229 N ILE A 15 -7.946 12.430 6.073 1.00 0.00 N ATOM 230 CA ILE A 15 -6.653 12.489 5.404 1.00 0.00 C ATOM 231 C ILE A 15 -6.689 11.610 4.158 1.00 0.00 C ATOM 232 O ILE A 15 -6.207 11.998 3.093 1.00 0.00 O ATOM 233 CB ILE A 15 -5.487 12.061 6.325 1.00 0.00 C ATOM 234 CG1 ILE A 15 -5.359 13.033 7.499 1.00 0.00 C ATOM 235 CG2 ILE A 15 -4.179 12.003 5.544 1.00 0.00 C ATOM 236 CD1 ILE A 15 -4.288 12.647 8.497 1.00 0.00 C ATOM 0 H ILE A 15 -7.955 11.905 6.947 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.471 13.527 5.128 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.701 11.065 6.713 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.141 14.028 7.112 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.318 13.094 8.014 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.371 11.700 6.210 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.271 11.281 4.733 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.958 12.987 5.130 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.257 13.383 9.300 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.515 11.665 8.913 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.320 12.614 7.997 1.00 0.00 H new ATOM 248 N LEU A 16 -7.292 10.431 4.298 1.00 0.00 N ATOM 249 CA LEU A 16 -7.521 9.547 3.159 1.00 0.00 C ATOM 250 C LEU A 16 -8.315 10.275 2.082 1.00 0.00 C ATOM 251 O LEU A 16 -8.001 10.185 0.895 1.00 0.00 O ATOM 252 CB LEU A 16 -8.293 8.301 3.592 1.00 0.00 C ATOM 253 CG LEU A 16 -7.531 7.313 4.473 1.00 0.00 C ATOM 254 CD1 LEU A 16 -8.490 6.296 5.073 1.00 0.00 C ATOM 255 CD2 LEU A 16 -6.456 6.606 3.665 1.00 0.00 C ATOM 0 H LEU A 16 -7.630 10.067 5.189 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.551 9.248 2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.187 8.620 4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.628 7.776 2.697 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.053 7.865 5.282 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.935 5.597 5.699 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.235 6.812 5.678 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.988 5.749 4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.921 5.905 4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.918 6.064 2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.756 7.342 3.268 1.00 0.00 H new ATOM 267 N ALA A 17 -9.344 10.997 2.518 1.00 0.00 N ATOM 268 CA ALA A 17 -10.192 11.761 1.615 1.00 0.00 C ATOM 269 C ALA A 17 -9.379 12.763 0.806 1.00 0.00 C ATOM 270 O ALA A 17 -9.571 12.890 -0.404 1.00 0.00 O ATOM 271 CB ALA A 17 -11.285 12.474 2.396 1.00 0.00 C ATOM 0 H ALA A 17 -9.610 11.067 3.500 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.653 11.063 0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -11.912 13.042 1.709 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.895 11.739 2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.832 13.153 3.119 1.00 0.00 H new ATOM 277 N GLU A 18 -8.468 13.465 1.472 1.00 0.00 N ATOM 278 CA GLU A 18 -7.638 14.461 0.806 1.00 0.00 C ATOM 279 C GLU A 18 -6.646 13.801 -0.144 1.00 0.00 C ATOM 280 O GLU A 18 -6.456 14.268 -1.267 1.00 0.00 O ATOM 281 CB GLU A 18 -6.898 15.325 1.826 1.00 0.00 C ATOM 282 CG GLU A 18 -7.825 16.097 2.750 1.00 0.00 C ATOM 283 CD GLU A 18 -7.096 17.119 3.595 1.00 0.00 C ATOM 284 OE1 GLU A 18 -6.242 16.730 4.412 1.00 0.00 O ATOM 285 OE2 GLU A 18 -7.374 18.328 3.441 1.00 0.00 O ATOM 0 H GLU A 18 -8.286 13.363 2.470 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.297 15.103 0.222 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.247 14.689 2.426 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.256 16.029 1.297 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.586 16.601 2.155 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.344 15.396 3.404 1.00 0.00 H new ATOM 292 N VAL A 19 -6.024 12.714 0.302 1.00 0.00 N ATOM 293 CA VAL A 19 -5.088 11.972 -0.538 1.00 0.00 C ATOM 294 C VAL A 19 -5.785 11.474 -1.803 1.00 0.00 C ATOM 295 O VAL A 19 -5.289 11.663 -2.916 1.00 0.00 O ATOM 296 CB VAL A 19 -4.463 10.777 0.220 1.00 0.00 C ATOM 297 CG1 VAL A 19 -3.570 9.952 -0.696 1.00 0.00 C ATOM 298 CG2 VAL A 19 -3.673 11.266 1.425 1.00 0.00 C ATOM 0 H VAL A 19 -6.150 12.328 1.238 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.285 12.656 -0.813 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.275 10.138 0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.145 9.119 -0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.159 9.566 -1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.766 10.579 -1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.240 10.413 1.947 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.876 11.930 1.092 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.337 11.806 2.100 1.00 0.00 H new ATOM 308 N ALA A 20 -6.953 10.864 -1.627 1.00 0.00 N ATOM 309 CA ALA A 20 -7.742 10.377 -2.751 1.00 0.00 C ATOM 310 C ALA A 20 -8.210 11.535 -3.629 1.00 0.00 C ATOM 311 O ALA A 20 -8.339 11.394 -4.847 1.00 0.00 O ATOM 312 CB ALA A 20 -8.933 9.570 -2.253 1.00 0.00 C ATOM 0 H ALA A 20 -7.374 10.695 -0.713 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.110 9.727 -3.356 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.512 9.213 -3.105 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.578 8.718 -1.673 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.562 10.200 -1.624 1.00 0.00 H new ATOM 318 N LEU A 21 -8.449 12.682 -3.004 1.00 0.00 N ATOM 319 CA LEU A 21 -8.888 13.872 -3.723 1.00 0.00 C ATOM 320 C LEU A 21 -7.785 14.362 -4.651 1.00 0.00 C ATOM 321 O LEU A 21 -8.055 14.749 -5.783 1.00 0.00 O ATOM 322 CB LEU A 21 -9.303 14.974 -2.735 1.00 0.00 C ATOM 323 CG LEU A 21 -10.010 16.194 -3.342 1.00 0.00 C ATOM 324 CD1 LEU A 21 -10.917 16.838 -2.309 1.00 0.00 C ATOM 325 CD2 LEU A 21 -9.002 17.219 -3.850 1.00 0.00 C ATOM 0 H LEU A 21 -8.346 12.813 -1.998 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.757 13.616 -4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.961 14.533 -1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.411 15.319 -2.212 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.607 15.851 -4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.414 17.702 -2.749 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.666 16.117 -1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.323 17.158 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.532 18.072 -4.274 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.377 17.556 -3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.375 16.764 -4.617 1.00 0.00 H new ATOM 337 N VAL A 22 -6.541 14.328 -4.171 1.00 0.00 N ATOM 338 CA VAL A 22 -5.391 14.716 -4.985 1.00 0.00 C ATOM 339 C VAL A 22 -5.291 13.813 -6.210 1.00 0.00 C ATOM 340 O VAL A 22 -5.047 14.278 -7.328 1.00 0.00 O ATOM 341 CB VAL A 22 -4.072 14.640 -4.183 1.00 0.00 C ATOM 342 CG1 VAL A 22 -2.878 14.960 -5.070 1.00 0.00 C ATOM 343 CG2 VAL A 22 -4.115 15.584 -2.989 1.00 0.00 C ATOM 0 H VAL A 22 -6.305 14.036 -3.223 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.542 15.750 -5.296 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.960 13.620 -3.815 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.962 14.900 -4.483 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.831 14.243 -5.890 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.984 15.967 -5.474 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.177 15.516 -2.437 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.257 16.607 -3.339 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.942 15.306 -2.335 1.00 0.00 H new ATOM 353 N LEU A 23 -5.514 12.526 -5.988 1.00 0.00 N ATOM 354 CA LEU A 23 -5.505 11.548 -7.064 1.00 0.00 C ATOM 355 C LEU A 23 -6.582 11.881 -8.090 1.00 0.00 C ATOM 356 O LEU A 23 -6.296 12.038 -9.277 1.00 0.00 O ATOM 357 CB LEU A 23 -5.736 10.140 -6.501 1.00 0.00 C ATOM 358 CG LEU A 23 -4.766 9.707 -5.398 1.00 0.00 C ATOM 359 CD1 LEU A 23 -5.112 8.313 -4.900 1.00 0.00 C ATOM 360 CD2 LEU A 23 -3.330 9.754 -5.895 1.00 0.00 C ATOM 0 H LEU A 23 -5.704 12.134 -5.066 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.531 11.578 -7.553 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.752 10.085 -6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.671 9.424 -7.320 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.863 10.405 -4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.412 8.022 -4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.126 8.311 -4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.047 7.605 -5.726 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.658 9.443 -5.095 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.217 9.082 -6.746 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.084 10.771 -6.200 1.00 0.00 H new ATOM 372 N GLU A 24 -7.814 12.023 -7.613 1.00 0.00 N ATOM 373 CA GLU A 24 -8.954 12.307 -8.477 1.00 0.00 C ATOM 374 C GLU A 24 -8.792 13.668 -9.164 1.00 0.00 C ATOM 375 O GLU A 24 -9.283 13.883 -10.274 1.00 0.00 O ATOM 376 CB GLU A 24 -10.241 12.291 -7.648 1.00 0.00 C ATOM 377 CG GLU A 24 -11.483 11.912 -8.441 1.00 0.00 C ATOM 378 CD GLU A 24 -11.478 10.458 -8.870 1.00 0.00 C ATOM 379 OE1 GLU A 24 -11.913 9.598 -8.075 1.00 0.00 O ATOM 380 OE2 GLU A 24 -11.042 10.164 -10.002 1.00 0.00 O ATOM 0 H GLU A 24 -8.050 11.945 -6.624 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.007 11.539 -9.249 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.121 11.589 -6.823 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.390 13.277 -7.208 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.369 12.106 -7.836 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.554 12.547 -9.324 1.00 0.00 H new ATOM 387 N LYS A 25 -8.092 14.574 -8.491 1.00 0.00 N ATOM 388 CA LYS A 25 -7.857 15.925 -8.994 1.00 0.00 C ATOM 389 C LYS A 25 -6.960 15.903 -10.229 1.00 0.00 C ATOM 390 O LYS A 25 -7.200 16.623 -11.197 1.00 0.00 O ATOM 391 CB LYS A 25 -7.217 16.771 -7.889 1.00 0.00 C ATOM 392 CG LYS A 25 -6.939 18.213 -8.273 1.00 0.00 C ATOM 393 CD LYS A 25 -6.265 18.961 -7.133 1.00 0.00 C ATOM 394 CE LYS A 25 -5.996 20.413 -7.484 1.00 0.00 C ATOM 395 NZ LYS A 25 -7.254 21.167 -7.727 1.00 0.00 N ATOM 0 H LYS A 25 -7.670 14.394 -7.580 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.812 16.363 -9.284 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.872 16.761 -7.018 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.280 16.302 -7.588 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.303 18.241 -9.158 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.873 18.709 -8.536 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.896 18.914 -6.246 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.325 18.469 -6.882 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.440 20.885 -6.674 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.367 20.461 -8.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.047 22.186 -7.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.669 20.867 -8.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.927 20.977 -6.957 1.00 0.00 H new ATOM 409 N HIS A 26 -5.934 15.061 -10.197 1.00 0.00 N ATOM 410 CA HIS A 26 -4.977 14.987 -11.300 1.00 0.00 C ATOM 411 C HIS A 26 -5.296 13.824 -12.232 1.00 0.00 C ATOM 412 O HIS A 26 -4.473 13.457 -13.073 1.00 0.00 O ATOM 413 CB HIS A 26 -3.546 14.851 -10.773 1.00 0.00 C ATOM 414 CG HIS A 26 -3.027 16.084 -10.099 1.00 0.00 C ATOM 415 ND1 HIS A 26 -2.205 16.995 -10.721 1.00 0.00 N ATOM 416 CD2 HIS A 26 -3.209 16.544 -8.842 1.00 0.00 C ATOM 417 CE1 HIS A 26 -1.903 17.957 -9.873 1.00 0.00 C ATOM 418 NE2 HIS A 26 -2.499 17.711 -8.721 1.00 0.00 N ATOM 0 H HIS A 26 -5.742 14.422 -9.425 1.00 0.00 H new ATOM 0 HA HIS A 26 -5.059 15.916 -11.865 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.506 14.020 -10.069 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -2.886 14.598 -11.603 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -3.805 16.077 -8.072 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.272 18.807 -10.085 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -2.441 18.290 -7.883 1.00 0.00 H new ATOM 427 N ALA A 27 -6.491 13.255 -12.077 1.00 0.00 N ATOM 428 CA ALA A 27 -6.955 12.158 -12.928 1.00 0.00 C ATOM 429 C ALA A 27 -6.062 10.927 -12.783 1.00 0.00 C ATOM 430 O ALA A 27 -5.811 10.205 -13.751 1.00 0.00 O ATOM 431 CB ALA A 27 -7.026 12.605 -14.384 1.00 0.00 C ATOM 0 H ALA A 27 -7.162 13.539 -11.363 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.957 11.880 -12.601 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.373 11.777 -15.002 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.720 13.441 -14.475 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.036 12.917 -14.717 1.00 0.00 H new ATOM 437 N ALA A 28 -5.598 10.683 -11.563 1.00 0.00 N ATOM 438 CA ALA A 28 -4.782 9.515 -11.277 1.00 0.00 C ATOM 439 C ALA A 28 -5.612 8.249 -11.422 1.00 0.00 C ATOM 440 O ALA A 28 -6.588 8.042 -10.694 1.00 0.00 O ATOM 441 CB ALA A 28 -4.178 9.606 -9.882 1.00 0.00 C ATOM 0 H ALA A 28 -5.775 11.281 -10.756 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.963 9.479 -11.996 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.571 8.721 -9.690 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.553 10.496 -9.814 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.977 9.666 -9.143 1.00 0.00 H new ATOM 447 N SER A 29 -5.226 7.415 -12.372 1.00 0.00 N ATOM 448 CA SER A 29 -5.964 6.203 -12.680 1.00 0.00 C ATOM 449 C SER A 29 -5.849 5.193 -11.535 1.00 0.00 C ATOM 450 O SER A 29 -4.962 5.318 -10.687 1.00 0.00 O ATOM 451 CB SER A 29 -5.429 5.614 -13.986 1.00 0.00 C ATOM 452 OG SER A 29 -5.407 6.603 -15.005 1.00 0.00 O ATOM 0 H SER A 29 -4.397 7.558 -12.949 1.00 0.00 H new ATOM 0 HA SER A 29 -7.021 6.441 -12.800 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.424 5.221 -13.830 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.054 4.777 -14.297 1.00 0.00 H new ATOM 0 HG SER A 29 -5.061 6.211 -15.834 1.00 0.00 H new ATOM 458 N PRO A 30 -6.759 4.195 -11.483 1.00 0.00 N ATOM 459 CA PRO A 30 -6.769 3.166 -10.434 1.00 0.00 C ATOM 460 C PRO A 30 -5.399 2.525 -10.224 1.00 0.00 C ATOM 461 O PRO A 30 -4.995 2.262 -9.092 1.00 0.00 O ATOM 462 CB PRO A 30 -7.775 2.122 -10.944 1.00 0.00 C ATOM 463 CG PRO A 30 -8.110 2.520 -12.344 1.00 0.00 C ATOM 464 CD PRO A 30 -7.869 3.999 -12.425 1.00 0.00 C ATOM 0 HA PRO A 30 -7.035 3.591 -9.466 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.346 1.121 -10.916 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.668 2.104 -10.320 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.488 1.984 -13.061 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.147 2.281 -12.580 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.604 4.312 -13.435 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.751 4.570 -12.136 1.00 0.00 H new ATOM 472 N GLU A 31 -4.686 2.293 -11.321 1.00 0.00 N ATOM 473 CA GLU A 31 -3.342 1.740 -11.256 1.00 0.00 C ATOM 474 C GLU A 31 -2.429 2.665 -10.463 1.00 0.00 C ATOM 475 O GLU A 31 -1.758 2.240 -9.524 1.00 0.00 O ATOM 476 CB GLU A 31 -2.781 1.551 -12.662 1.00 0.00 C ATOM 477 CG GLU A 31 -3.658 0.697 -13.559 1.00 0.00 C ATOM 478 CD GLU A 31 -3.114 0.607 -14.967 1.00 0.00 C ATOM 479 OE1 GLU A 31 -3.204 1.606 -15.708 1.00 0.00 O ATOM 480 OE2 GLU A 31 -2.593 -0.460 -15.346 1.00 0.00 O ATOM 0 H GLU A 31 -5.019 2.480 -12.267 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.391 0.772 -10.757 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.647 2.529 -13.125 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.794 1.093 -12.591 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.740 -0.305 -13.138 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.664 1.115 -13.586 1.00 0.00 H new ATOM 487 N LEU A 32 -2.440 3.939 -10.839 1.00 0.00 N ATOM 488 CA LEU A 32 -1.624 4.952 -10.185 1.00 0.00 C ATOM 489 C LEU A 32 -2.034 5.122 -8.725 1.00 0.00 C ATOM 490 O LEU A 32 -1.211 5.462 -7.883 1.00 0.00 O ATOM 491 CB LEU A 32 -1.736 6.284 -10.934 1.00 0.00 C ATOM 492 CG LEU A 32 -0.815 7.401 -10.437 1.00 0.00 C ATOM 493 CD1 LEU A 32 0.623 6.919 -10.384 1.00 0.00 C ATOM 494 CD2 LEU A 32 -0.921 8.610 -11.350 1.00 0.00 C ATOM 0 H LEU A 32 -3.013 4.297 -11.603 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.585 4.624 -10.207 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.526 6.106 -11.989 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.767 6.632 -10.869 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.127 7.685 -9.432 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.264 7.726 -10.029 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.697 6.070 -9.704 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.942 6.615 -11.381 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.262 9.399 -10.987 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.628 8.329 -12.362 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.949 8.971 -11.357 1.00 0.00 H new ATOM 506 N THR A 33 -3.303 4.870 -8.432 1.00 0.00 N ATOM 507 CA THR A 33 -3.804 4.957 -7.066 1.00 0.00 C ATOM 508 C THR A 33 -3.048 3.995 -6.148 1.00 0.00 C ATOM 509 O THR A 33 -2.444 4.404 -5.154 1.00 0.00 O ATOM 510 CB THR A 33 -5.310 4.635 -7.016 1.00 0.00 C ATOM 511 OG1 THR A 33 -6.027 5.506 -7.902 1.00 0.00 O ATOM 512 CG2 THR A 33 -5.853 4.775 -5.602 1.00 0.00 C ATOM 0 H THR A 33 -4.005 4.603 -9.122 1.00 0.00 H new ATOM 0 HA THR A 33 -3.645 5.978 -6.719 1.00 0.00 H new ATOM 0 HB THR A 33 -5.447 3.601 -7.334 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.747 5.336 -8.826 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.918 4.542 -5.596 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.327 4.086 -4.941 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.704 5.797 -5.254 1.00 0.00 H new ATOM 520 N LEU A 34 -3.066 2.716 -6.507 1.00 0.00 N ATOM 521 CA LEU A 34 -2.388 1.696 -5.724 1.00 0.00 C ATOM 522 C LEU A 34 -0.875 1.850 -5.891 1.00 0.00 C ATOM 523 O LEU A 34 -0.096 1.513 -4.997 1.00 0.00 O ATOM 524 CB LEU A 34 -2.867 0.303 -6.160 1.00 0.00 C ATOM 525 CG LEU A 34 -2.592 -0.833 -5.169 1.00 0.00 C ATOM 526 CD1 LEU A 34 -3.636 -1.928 -5.318 1.00 0.00 C ATOM 527 CD2 LEU A 34 -1.201 -1.409 -5.379 1.00 0.00 C ATOM 0 H LEU A 34 -3.544 2.363 -7.336 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.627 1.814 -4.667 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.940 0.349 -6.344 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.392 0.056 -7.109 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.648 -0.424 -4.160 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.428 -2.728 -4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.626 -1.516 -5.121 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.604 -2.326 -6.332 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.029 -2.214 -4.664 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.119 -1.800 -6.393 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.457 -0.626 -5.231 1.00 0.00 H new ATOM 539 N MET A 35 -0.476 2.388 -7.038 1.00 0.00 N ATOM 540 CA MET A 35 0.922 2.699 -7.313 1.00 0.00 C ATOM 541 C MET A 35 1.444 3.710 -6.294 1.00 0.00 C ATOM 542 O MET A 35 2.543 3.555 -5.760 1.00 0.00 O ATOM 543 CB MET A 35 1.056 3.255 -8.733 1.00 0.00 C ATOM 544 CG MET A 35 2.482 3.477 -9.197 1.00 0.00 C ATOM 545 SD MET A 35 2.536 4.112 -10.881 1.00 0.00 S ATOM 546 CE MET A 35 4.293 4.122 -11.187 1.00 0.00 C ATOM 0 H MET A 35 -1.111 2.620 -7.802 1.00 0.00 H new ATOM 0 HA MET A 35 1.516 1.788 -7.232 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.567 2.569 -9.424 1.00 0.00 H new ATOM 0 HB3 MET A 35 0.519 4.202 -8.790 1.00 0.00 H new ATOM 0 HG2 MET A 35 2.979 4.178 -8.526 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.034 2.538 -9.143 1.00 0.00 H new ATOM 0 HE1 MET A 35 4.485 4.492 -12.194 1.00 0.00 H new ATOM 0 HE2 MET A 35 4.785 4.771 -10.462 1.00 0.00 H new ATOM 0 HE3 MET A 35 4.685 3.109 -11.092 1.00 0.00 H new ATOM 556 N ILE A 36 0.642 4.739 -6.024 1.00 0.00 N ATOM 557 CA ILE A 36 0.969 5.722 -4.997 1.00 0.00 C ATOM 558 C ILE A 36 1.112 5.043 -3.641 1.00 0.00 C ATOM 559 O ILE A 36 2.072 5.296 -2.914 1.00 0.00 O ATOM 560 CB ILE A 36 -0.104 6.840 -4.909 1.00 0.00 C ATOM 561 CG1 ILE A 36 -0.111 7.683 -6.191 1.00 0.00 C ATOM 562 CG2 ILE A 36 0.118 7.727 -3.690 1.00 0.00 C ATOM 563 CD1 ILE A 36 1.232 8.293 -6.539 1.00 0.00 C ATOM 0 H ILE A 36 -0.241 4.912 -6.505 1.00 0.00 H new ATOM 0 HA ILE A 36 1.916 6.182 -5.277 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.076 6.360 -4.801 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.440 7.059 -7.022 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.844 8.483 -6.083 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.650 8.500 -3.658 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.063 7.122 -2.785 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.101 8.195 -3.754 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.141 8.873 -7.458 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.556 8.946 -5.728 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.966 7.500 -6.682 1.00 0.00 H new ATOM 575 N ALA A 37 0.171 4.156 -3.323 1.00 0.00 N ATOM 576 CA ALA A 37 0.191 3.434 -2.051 1.00 0.00 C ATOM 577 C ALA A 37 1.499 2.665 -1.862 1.00 0.00 C ATOM 578 O ALA A 37 2.071 2.651 -0.769 1.00 0.00 O ATOM 579 CB ALA A 37 -0.992 2.485 -1.962 1.00 0.00 C ATOM 0 H ALA A 37 -0.615 3.920 -3.928 1.00 0.00 H new ATOM 0 HA ALA A 37 0.118 4.171 -1.252 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.963 1.955 -1.010 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.920 3.053 -2.033 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.943 1.765 -2.779 1.00 0.00 H new ATOM 585 N GLY A 38 1.970 2.029 -2.932 1.00 0.00 N ATOM 586 CA GLY A 38 3.233 1.315 -2.883 1.00 0.00 C ATOM 587 C GLY A 38 4.399 2.236 -2.597 1.00 0.00 C ATOM 588 O GLY A 38 5.318 1.884 -1.852 1.00 0.00 O ATOM 0 H GLY A 38 1.497 1.996 -3.835 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.183 0.545 -2.113 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.398 0.807 -3.833 1.00 0.00 H new ATOM 592 N ASN A 39 4.355 3.427 -3.179 1.00 0.00 N ATOM 593 CA ASN A 39 5.383 4.430 -2.944 1.00 0.00 C ATOM 594 C ASN A 39 5.341 4.905 -1.498 1.00 0.00 C ATOM 595 O ASN A 39 6.377 5.195 -0.903 1.00 0.00 O ATOM 596 CB ASN A 39 5.208 5.623 -3.887 1.00 0.00 C ATOM 597 CG ASN A 39 5.755 5.362 -5.280 1.00 0.00 C ATOM 598 OD1 ASN A 39 6.923 5.623 -5.554 1.00 0.00 O ATOM 599 ND2 ASN A 39 4.918 4.855 -6.173 1.00 0.00 N ATOM 0 H ASN A 39 3.617 3.722 -3.818 1.00 0.00 H new ATOM 0 HA ASN A 39 6.352 3.971 -3.141 1.00 0.00 H new ATOM 0 HB2 ASN A 39 4.149 5.870 -3.959 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.710 6.492 -3.462 1.00 0.00 H new ATOM 0 HD21 ASN A 39 5.238 4.669 -7.124 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.954 4.650 -5.910 1.00 0.00 H new ATOM 606 N ILE A 40 4.139 4.970 -0.934 1.00 0.00 N ATOM 607 CA ILE A 40 3.970 5.361 0.462 1.00 0.00 C ATOM 608 C ILE A 40 4.674 4.364 1.377 1.00 0.00 C ATOM 609 O ILE A 40 5.510 4.746 2.196 1.00 0.00 O ATOM 610 CB ILE A 40 2.480 5.450 0.865 1.00 0.00 C ATOM 611 CG1 ILE A 40 1.715 6.395 -0.066 1.00 0.00 C ATOM 612 CG2 ILE A 40 2.338 5.909 2.311 1.00 0.00 C ATOM 613 CD1 ILE A 40 2.246 7.811 -0.081 1.00 0.00 C ATOM 0 H ILE A 40 3.268 4.757 -1.421 1.00 0.00 H new ATOM 0 HA ILE A 40 4.413 6.351 0.572 1.00 0.00 H new ATOM 0 HB ILE A 40 2.050 4.453 0.772 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.749 5.995 -1.079 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.667 6.414 0.235 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.281 5.965 2.573 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.838 5.198 2.969 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.793 6.893 2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.650 8.416 -0.764 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.187 8.232 0.922 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.285 7.807 -0.412 1.00 0.00 H new ATOM 625 N ALA A 41 4.343 3.084 1.215 1.00 0.00 N ATOM 626 CA ALA A 41 4.959 2.023 1.999 1.00 0.00 C ATOM 627 C ALA A 41 6.478 2.032 1.836 1.00 0.00 C ATOM 628 O ALA A 41 7.216 1.901 2.810 1.00 0.00 O ATOM 629 CB ALA A 41 4.387 0.677 1.582 1.00 0.00 C ATOM 0 H ALA A 41 3.648 2.759 0.543 1.00 0.00 H new ATOM 0 HA ALA A 41 4.736 2.195 3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.851 -0.114 2.171 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.310 0.671 1.751 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.589 0.508 0.524 1.00 0.00 H new ATOM 635 N THR A 42 6.933 2.206 0.601 1.00 0.00 N ATOM 636 CA THR A 42 8.359 2.253 0.308 1.00 0.00 C ATOM 637 C THR A 42 9.025 3.445 1.001 1.00 0.00 C ATOM 638 O THR A 42 10.087 3.303 1.601 1.00 0.00 O ATOM 639 CB THR A 42 8.606 2.327 -1.212 1.00 0.00 C ATOM 640 OG1 THR A 42 8.015 1.188 -1.856 1.00 0.00 O ATOM 641 CG2 THR A 42 10.095 2.374 -1.530 1.00 0.00 C ATOM 0 H THR A 42 6.332 2.317 -0.216 1.00 0.00 H new ATOM 0 HA THR A 42 8.803 1.335 0.692 1.00 0.00 H new ATOM 0 HB THR A 42 8.147 3.243 -1.584 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.043 1.306 -1.901 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.235 2.426 -2.610 1.00 0.00 H new ATOM 0 HG22 THR A 42 10.539 3.254 -1.064 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.578 1.476 -1.144 1.00 0.00 H new ATOM 649 N ASN A 43 8.382 4.606 0.930 1.00 0.00 N ATOM 650 CA ASN A 43 8.891 5.823 1.563 1.00 0.00 C ATOM 651 C ASN A 43 9.032 5.611 3.068 1.00 0.00 C ATOM 652 O ASN A 43 10.013 6.038 3.685 1.00 0.00 O ATOM 653 CB ASN A 43 7.934 6.990 1.272 1.00 0.00 C ATOM 654 CG ASN A 43 8.476 8.356 1.669 1.00 0.00 C ATOM 655 OD1 ASN A 43 9.277 8.491 2.593 1.00 0.00 O ATOM 656 ND2 ASN A 43 8.026 9.387 0.970 1.00 0.00 N ATOM 0 H ASN A 43 7.499 4.732 0.436 1.00 0.00 H new ATOM 0 HA ASN A 43 9.874 6.060 1.156 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.703 6.999 0.207 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.996 6.816 1.800 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.343 10.331 1.191 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.362 9.237 0.210 1.00 0.00 H new ATOM 663 N VAL A 44 8.050 4.941 3.658 1.00 0.00 N ATOM 664 CA VAL A 44 8.116 4.586 5.067 1.00 0.00 C ATOM 665 C VAL A 44 9.305 3.670 5.318 1.00 0.00 C ATOM 666 O VAL A 44 10.082 3.898 6.238 1.00 0.00 O ATOM 667 CB VAL A 44 6.817 3.892 5.541 1.00 0.00 C ATOM 668 CG1 VAL A 44 6.932 3.447 6.991 1.00 0.00 C ATOM 669 CG2 VAL A 44 5.624 4.818 5.365 1.00 0.00 C ATOM 0 H VAL A 44 7.201 4.634 3.183 1.00 0.00 H new ATOM 0 HA VAL A 44 8.235 5.508 5.636 1.00 0.00 H new ATOM 0 HB VAL A 44 6.666 3.005 4.925 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.005 2.963 7.298 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.759 2.744 7.091 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.114 4.315 7.625 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.719 4.314 5.703 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.776 5.723 5.953 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.520 5.082 4.313 1.00 0.00 H new ATOM 679 N LEU A 45 9.458 2.656 4.474 1.00 0.00 N ATOM 680 CA LEU A 45 10.576 1.725 4.581 1.00 0.00 C ATOM 681 C LEU A 45 11.912 2.449 4.415 1.00 0.00 C ATOM 682 O LEU A 45 12.940 1.996 4.921 1.00 0.00 O ATOM 683 CB LEU A 45 10.449 0.616 3.533 1.00 0.00 C ATOM 684 CG LEU A 45 9.219 -0.284 3.680 1.00 0.00 C ATOM 685 CD1 LEU A 45 9.127 -1.253 2.514 1.00 0.00 C ATOM 686 CD2 LEU A 45 9.265 -1.040 5.000 1.00 0.00 C ATOM 0 H LEU A 45 8.819 2.457 3.704 1.00 0.00 H new ATOM 0 HA LEU A 45 10.548 1.280 5.576 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.428 1.074 2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.342 -0.007 3.577 1.00 0.00 H new ATOM 0 HG LEU A 45 8.329 0.346 3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.247 -1.885 2.635 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.047 -0.694 1.582 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.021 -1.877 2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.383 -1.674 5.087 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.162 -1.659 5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.283 -0.329 5.826 1.00 0.00 H new ATOM 698 N ASN A 46 11.888 3.568 3.702 1.00 0.00 N ATOM 699 CA ASN A 46 13.080 4.384 3.508 1.00 0.00 C ATOM 700 C ASN A 46 13.441 5.139 4.783 1.00 0.00 C ATOM 701 O ASN A 46 14.514 4.933 5.354 1.00 0.00 O ATOM 702 CB ASN A 46 12.874 5.391 2.366 1.00 0.00 C ATOM 703 CG ASN A 46 12.803 4.746 0.995 1.00 0.00 C ATOM 704 OD1 ASN A 46 13.521 3.649 0.816 1.00 0.00 O flip ATOM 705 ND2 ASN A 46 12.114 5.234 0.102 1.00 0.00 N flip ATOM 0 H ASN A 46 11.051 3.933 3.246 1.00 0.00 H new ATOM 0 HA ASN A 46 13.897 3.710 3.250 1.00 0.00 H new ATOM 0 HB2 ASN A 46 11.954 5.948 2.545 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.691 6.113 2.377 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.574 6.081 0.279 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.082 4.792 -0.817 1.00 0.00 H new ATOM 712 N GLN A 47 12.540 5.999 5.237 1.00 0.00 N ATOM 713 CA GLN A 47 12.849 6.901 6.344 1.00 0.00 C ATOM 714 C GLN A 47 11.928 6.708 7.544 1.00 0.00 C ATOM 715 O GLN A 47 12.384 6.704 8.686 1.00 0.00 O ATOM 716 CB GLN A 47 12.769 8.359 5.892 1.00 0.00 C ATOM 717 CG GLN A 47 12.214 8.558 4.493 1.00 0.00 C ATOM 718 CD GLN A 47 12.217 10.015 4.076 1.00 0.00 C ATOM 719 OE1 GLN A 47 13.072 10.794 4.497 1.00 0.00 O ATOM 720 NE2 GLN A 47 11.257 10.393 3.249 1.00 0.00 N ATOM 0 H GLN A 47 11.596 6.093 4.862 1.00 0.00 H new ATOM 0 HA GLN A 47 13.864 6.655 6.656 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.147 8.911 6.597 1.00 0.00 H new ATOM 0 HB3 GLN A 47 13.767 8.795 5.938 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.805 7.978 3.784 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.196 8.172 4.450 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.568 9.715 2.924 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.206 11.363 2.936 1.00 0.00 H new ATOM 729 N ARG A 48 10.638 6.545 7.280 1.00 0.00 N ATOM 730 CA ARG A 48 9.623 6.521 8.336 1.00 0.00 C ATOM 731 C ARG A 48 9.544 5.165 9.045 1.00 0.00 C ATOM 732 O ARG A 48 8.478 4.761 9.505 1.00 0.00 O ATOM 733 CB ARG A 48 8.253 6.878 7.745 1.00 0.00 C ATOM 734 CG ARG A 48 7.854 8.335 7.930 1.00 0.00 C ATOM 735 CD ARG A 48 6.598 8.668 7.138 1.00 0.00 C ATOM 736 NE ARG A 48 5.909 9.853 7.655 1.00 0.00 N ATOM 737 CZ ARG A 48 5.711 10.977 6.964 1.00 0.00 C ATOM 738 NH1 ARG A 48 6.227 11.132 5.751 1.00 0.00 N ATOM 739 NH2 ARG A 48 4.994 11.957 7.491 1.00 0.00 N ATOM 0 H ARG A 48 10.264 6.426 6.339 1.00 0.00 H new ATOM 0 HA ARG A 48 9.915 7.259 9.083 1.00 0.00 H new ATOM 0 HB2 ARG A 48 8.258 6.647 6.680 1.00 0.00 H new ATOM 0 HB3 ARG A 48 7.495 6.244 8.205 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.684 8.536 8.988 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.671 8.982 7.610 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.863 8.832 6.094 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.919 7.816 7.164 1.00 0.00 H new ATOM 0 HE ARG A 48 5.556 9.816 8.611 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.784 10.386 5.334 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.067 11.997 5.235 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.594 11.852 8.423 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.841 12.817 6.965 1.00 0.00 H new ATOM 753 N VAL A 49 10.673 4.484 9.167 1.00 0.00 N ATOM 754 CA VAL A 49 10.707 3.195 9.835 1.00 0.00 C ATOM 755 C VAL A 49 12.099 2.934 10.408 1.00 0.00 C ATOM 756 O VAL A 49 13.052 3.653 10.096 1.00 0.00 O ATOM 757 CB VAL A 49 10.310 2.056 8.870 1.00 0.00 C ATOM 758 CG1 VAL A 49 11.452 1.724 7.927 1.00 0.00 C ATOM 759 CG2 VAL A 49 9.855 0.820 9.629 1.00 0.00 C ATOM 0 H VAL A 49 11.575 4.802 8.813 1.00 0.00 H new ATOM 0 HA VAL A 49 9.983 3.219 10.650 1.00 0.00 H new ATOM 0 HB VAL A 49 9.467 2.405 8.273 1.00 0.00 H new ATOM 0 HG11 VAL A 49 11.149 0.919 7.257 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.708 2.607 7.341 1.00 0.00 H new ATOM 0 HG13 VAL A 49 12.320 1.407 8.505 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.583 0.038 8.921 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.665 0.466 10.267 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.990 1.069 10.245 1.00 0.00 H new ATOM 769 N ALA A 50 12.216 1.910 11.239 1.00 0.00 N ATOM 770 CA ALA A 50 13.490 1.564 11.849 1.00 0.00 C ATOM 771 C ALA A 50 14.182 0.462 11.053 1.00 0.00 C ATOM 772 O ALA A 50 13.520 -0.365 10.426 1.00 0.00 O ATOM 773 CB ALA A 50 13.288 1.142 13.296 1.00 0.00 C ATOM 0 H ALA A 50 11.442 1.303 11.507 1.00 0.00 H new ATOM 0 HA ALA A 50 14.132 2.445 11.837 1.00 0.00 H new ATOM 0 HB1 ALA A 50 14.251 0.886 13.738 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.838 1.963 13.855 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.630 0.274 13.333 1.00 0.00 H new ATOM 779 N ALA A 51 15.511 0.465 11.083 1.00 0.00 N ATOM 780 CA ALA A 51 16.324 -0.490 10.333 1.00 0.00 C ATOM 781 C ALA A 51 15.941 -1.937 10.628 1.00 0.00 C ATOM 782 O ALA A 51 15.538 -2.676 9.727 1.00 0.00 O ATOM 783 CB ALA A 51 17.797 -0.267 10.645 1.00 0.00 C ATOM 0 H ALA A 51 16.057 1.131 11.629 1.00 0.00 H new ATOM 0 HA ALA A 51 16.138 -0.317 9.273 1.00 0.00 H new ATOM 0 HB1 ALA A 51 18.400 -0.981 10.084 1.00 0.00 H new ATOM 0 HB2 ALA A 51 18.079 0.747 10.363 1.00 0.00 H new ATOM 0 HB3 ALA A 51 17.968 -0.407 11.712 1.00 0.00 H new ATOM 789 N SER A 52 16.044 -2.330 11.890 1.00 0.00 N ATOM 790 CA SER A 52 15.765 -3.704 12.293 1.00 0.00 C ATOM 791 C SER A 52 14.272 -4.002 12.208 1.00 0.00 C ATOM 792 O SER A 52 13.856 -5.160 12.180 1.00 0.00 O ATOM 793 CB SER A 52 16.257 -3.940 13.721 1.00 0.00 C ATOM 794 OG SER A 52 17.618 -3.564 13.859 1.00 0.00 O ATOM 0 H SER A 52 16.320 -1.715 12.656 1.00 0.00 H new ATOM 0 HA SER A 52 16.292 -4.373 11.613 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.646 -3.368 14.419 1.00 0.00 H new ATOM 0 HB3 SER A 52 16.139 -4.992 13.981 1.00 0.00 H new ATOM 0 HG SER A 52 17.909 -3.723 14.781 1.00 0.00 H new ATOM 800 N GLN A 53 13.473 -2.949 12.149 1.00 0.00 N ATOM 801 CA GLN A 53 12.030 -3.092 12.139 1.00 0.00 C ATOM 802 C GLN A 53 11.523 -3.326 10.715 1.00 0.00 C ATOM 803 O GLN A 53 10.440 -3.875 10.520 1.00 0.00 O ATOM 804 CB GLN A 53 11.383 -1.837 12.731 1.00 0.00 C ATOM 805 CG GLN A 53 9.959 -2.044 13.217 1.00 0.00 C ATOM 806 CD GLN A 53 9.886 -2.929 14.446 1.00 0.00 C ATOM 807 OE1 GLN A 53 9.769 -4.229 14.241 1.00 0.00 O flip ATOM 808 NE2 GLN A 53 9.938 -2.444 15.573 1.00 0.00 N flip ATOM 0 H GLN A 53 13.802 -1.985 12.107 1.00 0.00 H new ATOM 0 HA GLN A 53 11.758 -3.956 12.746 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.992 -1.485 13.564 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.388 -1.049 11.978 1.00 0.00 H new ATOM 0 HG2 GLN A 53 9.512 -1.076 13.444 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.367 -2.489 12.417 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.029 -1.435 15.690 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.891 -3.050 16.392 1.00 0.00 H new ATOM 817 N ARG A 54 12.332 -2.930 9.732 1.00 0.00 N ATOM 818 CA ARG A 54 11.939 -2.969 8.321 1.00 0.00 C ATOM 819 C ARG A 54 11.454 -4.345 7.872 1.00 0.00 C ATOM 820 O ARG A 54 10.454 -4.446 7.163 1.00 0.00 O ATOM 821 CB ARG A 54 13.097 -2.517 7.426 1.00 0.00 C ATOM 822 CG ARG A 54 13.009 -1.054 7.031 1.00 0.00 C ATOM 823 CD ARG A 54 14.125 -0.645 6.082 1.00 0.00 C ATOM 824 NE ARG A 54 15.380 -0.360 6.776 1.00 0.00 N ATOM 825 CZ ARG A 54 15.904 0.864 6.878 1.00 0.00 C ATOM 826 NH1 ARG A 54 15.246 1.920 6.412 1.00 0.00 N ATOM 827 NH2 ARG A 54 17.084 1.037 7.450 1.00 0.00 N ATOM 0 H ARG A 54 13.275 -2.574 9.889 1.00 0.00 H new ATOM 0 HA ARG A 54 11.100 -2.281 8.221 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.039 -2.691 7.946 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.112 -3.130 6.525 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.045 -0.865 6.558 1.00 0.00 H new ATOM 0 HG3 ARG A 54 13.052 -0.435 7.927 1.00 0.00 H new ATOM 0 HD2 ARG A 54 14.289 -1.441 5.356 1.00 0.00 H new ATOM 0 HD3 ARG A 54 13.815 0.238 5.523 1.00 0.00 H new ATOM 0 HE ARG A 54 15.882 -1.137 7.205 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.334 1.799 5.972 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.653 2.852 6.494 1.00 0.00 H new ATOM 0 HH21 ARG A 54 17.597 0.234 7.815 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.481 1.973 7.526 1.00 0.00 H new ATOM 841 N LYS A 55 12.148 -5.398 8.284 1.00 0.00 N ATOM 842 CA LYS A 55 11.794 -6.751 7.859 1.00 0.00 C ATOM 843 C LYS A 55 10.419 -7.155 8.378 1.00 0.00 C ATOM 844 O LYS A 55 9.622 -7.748 7.648 1.00 0.00 O ATOM 845 CB LYS A 55 12.855 -7.759 8.309 1.00 0.00 C ATOM 846 CG LYS A 55 14.126 -7.700 7.479 1.00 0.00 C ATOM 847 CD LYS A 55 13.837 -7.986 6.013 1.00 0.00 C ATOM 848 CE LYS A 55 15.079 -7.826 5.152 1.00 0.00 C ATOM 849 NZ LYS A 55 16.090 -8.890 5.401 1.00 0.00 N ATOM 0 H LYS A 55 12.954 -5.345 8.907 1.00 0.00 H new ATOM 0 HA LYS A 55 11.755 -6.754 6.770 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.102 -7.574 9.354 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.438 -8.765 8.253 1.00 0.00 H new ATOM 0 HG2 LYS A 55 14.583 -6.715 7.577 1.00 0.00 H new ATOM 0 HG3 LYS A 55 14.846 -8.425 7.859 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.451 -9.000 5.910 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.059 -7.311 5.657 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.792 -7.842 4.101 1.00 0.00 H new ATOM 0 HE3 LYS A 55 15.527 -6.852 5.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 16.916 -8.734 4.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 16.387 -8.861 6.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.674 -9.820 5.191 1.00 0.00 H new ATOM 863 N LEU A 56 10.134 -6.826 9.630 1.00 0.00 N ATOM 864 CA LEU A 56 8.835 -7.129 10.213 1.00 0.00 C ATOM 865 C LEU A 56 7.768 -6.215 9.622 1.00 0.00 C ATOM 866 O LEU A 56 6.699 -6.671 9.226 1.00 0.00 O ATOM 867 CB LEU A 56 8.880 -6.974 11.737 1.00 0.00 C ATOM 868 CG LEU A 56 9.811 -7.945 12.467 1.00 0.00 C ATOM 869 CD1 LEU A 56 9.804 -7.666 13.960 1.00 0.00 C ATOM 870 CD2 LEU A 56 9.401 -9.385 12.194 1.00 0.00 C ATOM 0 H LEU A 56 10.782 -6.351 10.259 1.00 0.00 H new ATOM 0 HA LEU A 56 8.583 -8.163 9.978 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.188 -5.955 11.973 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.871 -7.101 12.128 1.00 0.00 H new ATOM 0 HG LEU A 56 10.824 -7.798 12.092 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.471 -8.365 14.464 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.143 -6.646 14.141 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.792 -7.786 14.348 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.074 -10.061 12.721 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.380 -9.545 12.542 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.454 -9.582 11.123 1.00 0.00 H new ATOM 882 N ILE A 57 8.087 -4.930 9.543 1.00 0.00 N ATOM 883 CA ILE A 57 7.170 -3.922 9.021 1.00 0.00 C ATOM 884 C ILE A 57 6.697 -4.264 7.607 1.00 0.00 C ATOM 885 O ILE A 57 5.495 -4.289 7.336 1.00 0.00 O ATOM 886 CB ILE A 57 7.841 -2.526 9.045 1.00 0.00 C ATOM 887 CG1 ILE A 57 7.928 -2.009 10.482 1.00 0.00 C ATOM 888 CG2 ILE A 57 7.112 -1.526 8.163 1.00 0.00 C ATOM 889 CD1 ILE A 57 6.586 -1.886 11.176 1.00 0.00 C ATOM 0 H ILE A 57 8.989 -4.556 9.839 1.00 0.00 H new ATOM 0 HA ILE A 57 6.291 -3.907 9.665 1.00 0.00 H new ATOM 0 HB ILE A 57 8.847 -2.637 8.641 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.564 -2.679 11.060 1.00 0.00 H new ATOM 0 HG13 ILE A 57 8.414 -1.033 10.477 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.618 -0.562 8.211 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.109 -1.883 7.133 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.085 -1.415 8.511 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.733 -1.513 12.190 1.00 0.00 H new ATOM 0 HD12 ILE A 57 5.953 -1.192 10.623 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.106 -2.864 11.215 1.00 0.00 H new ATOM 901 N ALA A 58 7.639 -4.558 6.719 1.00 0.00 N ATOM 902 CA ALA A 58 7.310 -4.864 5.333 1.00 0.00 C ATOM 903 C ALA A 58 6.526 -6.166 5.219 1.00 0.00 C ATOM 904 O ALA A 58 5.530 -6.239 4.496 1.00 0.00 O ATOM 905 CB ALA A 58 8.573 -4.933 4.492 1.00 0.00 C ATOM 0 H ALA A 58 8.636 -4.591 6.934 1.00 0.00 H new ATOM 0 HA ALA A 58 6.677 -4.060 4.957 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.310 -5.162 3.459 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.089 -3.974 4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.227 -5.713 4.882 1.00 0.00 H new ATOM 911 N GLU A 59 6.966 -7.185 5.947 1.00 0.00 N ATOM 912 CA GLU A 59 6.336 -8.498 5.875 1.00 0.00 C ATOM 913 C GLU A 59 4.922 -8.468 6.448 1.00 0.00 C ATOM 914 O GLU A 59 3.984 -8.978 5.834 1.00 0.00 O ATOM 915 CB GLU A 59 7.187 -9.534 6.613 1.00 0.00 C ATOM 916 CG GLU A 59 6.571 -10.923 6.642 1.00 0.00 C ATOM 917 CD GLU A 59 7.476 -11.947 7.289 1.00 0.00 C ATOM 918 OE1 GLU A 59 7.696 -11.862 8.515 1.00 0.00 O ATOM 919 OE2 GLU A 59 7.977 -12.841 6.573 1.00 0.00 O ATOM 0 H GLU A 59 7.754 -7.128 6.592 1.00 0.00 H new ATOM 0 HA GLU A 59 6.265 -8.780 4.824 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.167 -9.591 6.139 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.348 -9.196 7.637 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.625 -10.886 7.183 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.343 -11.237 5.623 1.00 0.00 H new ATOM 926 N LYS A 60 4.769 -7.857 7.616 1.00 0.00 N ATOM 927 CA LYS A 60 3.471 -7.802 8.277 1.00 0.00 C ATOM 928 C LYS A 60 2.483 -6.986 7.460 1.00 0.00 C ATOM 929 O LYS A 60 1.302 -7.317 7.402 1.00 0.00 O ATOM 930 CB LYS A 60 3.594 -7.225 9.688 1.00 0.00 C ATOM 931 CG LYS A 60 4.412 -8.098 10.624 1.00 0.00 C ATOM 932 CD LYS A 60 4.476 -7.518 12.028 1.00 0.00 C ATOM 933 CE LYS A 60 5.342 -8.373 12.939 1.00 0.00 C ATOM 934 NZ LYS A 60 4.867 -9.781 12.996 1.00 0.00 N ATOM 0 H LYS A 60 5.523 -7.395 8.123 1.00 0.00 H new ATOM 0 HA LYS A 60 3.097 -8.823 8.357 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.052 -6.237 9.631 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.597 -7.090 10.106 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.976 -9.096 10.663 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.422 -8.206 10.229 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.876 -6.505 11.988 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.470 -7.447 12.441 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.373 -8.352 12.585 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.341 -7.949 13.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.336 -10.274 13.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.838 -9.794 13.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.095 -10.261 12.102 1.00 0.00 H new ATOM 948 N PHE A 61 2.969 -5.927 6.823 1.00 0.00 N ATOM 949 CA PHE A 61 2.129 -5.112 5.957 1.00 0.00 C ATOM 950 C PHE A 61 1.589 -5.947 4.802 1.00 0.00 C ATOM 951 O PHE A 61 0.385 -5.958 4.541 1.00 0.00 O ATOM 952 CB PHE A 61 2.912 -3.911 5.418 1.00 0.00 C ATOM 953 CG PHE A 61 2.144 -3.098 4.410 1.00 0.00 C ATOM 954 CD1 PHE A 61 1.008 -2.399 4.783 1.00 0.00 C ATOM 955 CD2 PHE A 61 2.556 -3.042 3.089 1.00 0.00 C ATOM 956 CE1 PHE A 61 0.299 -1.658 3.858 1.00 0.00 C ATOM 957 CE2 PHE A 61 1.849 -2.303 2.159 1.00 0.00 C ATOM 958 CZ PHE A 61 0.719 -1.609 2.545 1.00 0.00 C ATOM 0 H PHE A 61 3.938 -5.614 6.890 1.00 0.00 H new ATOM 0 HA PHE A 61 1.290 -4.742 6.546 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.196 -3.268 6.251 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.836 -4.265 4.960 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.673 -2.434 5.809 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.440 -3.582 2.782 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.585 -1.117 4.163 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.180 -2.268 1.132 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.166 -1.030 1.821 1.00 0.00 H new ATOM 968 N ALA A 62 2.486 -6.661 4.130 1.00 0.00 N ATOM 969 CA ALA A 62 2.106 -7.493 2.996 1.00 0.00 C ATOM 970 C ALA A 62 1.154 -8.604 3.427 1.00 0.00 C ATOM 971 O ALA A 62 0.150 -8.864 2.764 1.00 0.00 O ATOM 972 CB ALA A 62 3.346 -8.080 2.333 1.00 0.00 C ATOM 0 H ALA A 62 3.481 -6.680 4.352 1.00 0.00 H new ATOM 0 HA ALA A 62 1.585 -6.866 2.273 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.048 -8.700 1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.988 -7.272 1.982 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.891 -8.689 3.055 1.00 0.00 H new ATOM 978 N GLN A 63 1.464 -9.245 4.548 1.00 0.00 N ATOM 979 CA GLN A 63 0.647 -10.339 5.055 1.00 0.00 C ATOM 980 C GLN A 63 -0.728 -9.833 5.485 1.00 0.00 C ATOM 981 O GLN A 63 -1.749 -10.458 5.198 1.00 0.00 O ATOM 982 CB GLN A 63 1.344 -11.031 6.229 1.00 0.00 C ATOM 983 CG GLN A 63 0.738 -12.380 6.581 1.00 0.00 C ATOM 984 CD GLN A 63 0.936 -13.414 5.487 1.00 0.00 C ATOM 985 OE1 GLN A 63 1.928 -13.384 4.760 1.00 0.00 O ATOM 986 NE2 GLN A 63 -0.008 -14.332 5.358 1.00 0.00 N ATOM 0 H GLN A 63 2.277 -9.025 5.123 1.00 0.00 H new ATOM 0 HA GLN A 63 0.514 -11.063 4.251 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.398 -11.167 5.987 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.298 -10.381 7.103 1.00 0.00 H new ATOM 0 HG2 GLN A 63 1.186 -12.745 7.506 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.328 -12.257 6.770 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.816 -14.324 5.980 1.00 0.00 H new ATOM 0 HE22 GLN A 63 0.072 -15.048 4.636 1.00 0.00 H new ATOM 995 N ALA A 64 -0.754 -8.693 6.165 1.00 0.00 N ATOM 996 CA ALA A 64 -2.009 -8.091 6.601 1.00 0.00 C ATOM 997 C ALA A 64 -2.833 -7.641 5.400 1.00 0.00 C ATOM 998 O ALA A 64 -4.063 -7.702 5.425 1.00 0.00 O ATOM 999 CB ALA A 64 -1.748 -6.925 7.541 1.00 0.00 C ATOM 0 H ALA A 64 0.080 -8.167 6.427 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.579 -8.844 7.144 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.697 -6.491 7.854 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.204 -7.279 8.417 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.155 -6.169 7.027 1.00 0.00 H new ATOM 1005 N LEU A 65 -2.149 -7.201 4.349 1.00 0.00 N ATOM 1006 CA LEU A 65 -2.815 -6.808 3.112 1.00 0.00 C ATOM 1007 C LEU A 65 -3.500 -8.017 2.484 1.00 0.00 C ATOM 1008 O LEU A 65 -4.619 -7.920 1.980 1.00 0.00 O ATOM 1009 CB LEU A 65 -1.809 -6.191 2.130 1.00 0.00 C ATOM 1010 CG LEU A 65 -2.414 -5.622 0.842 1.00 0.00 C ATOM 1011 CD1 LEU A 65 -3.511 -4.630 1.169 1.00 0.00 C ATOM 1012 CD2 LEU A 65 -1.344 -4.953 -0.006 1.00 0.00 C ATOM 0 H LEU A 65 -1.133 -7.108 4.329 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.569 -6.056 3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.270 -5.394 2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.075 -6.951 1.862 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.841 -6.448 0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.931 -4.234 0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.295 -5.129 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.098 -3.812 1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.796 -4.556 -0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.889 -4.139 0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.579 -5.684 -0.270 1.00 0.00 H new ATOM 1024 N MET A 66 -2.827 -9.159 2.544 1.00 0.00 N ATOM 1025 CA MET A 66 -3.390 -10.412 2.048 1.00 0.00 C ATOM 1026 C MET A 66 -4.527 -10.879 2.948 1.00 0.00 C ATOM 1027 O MET A 66 -5.499 -11.478 2.487 1.00 0.00 O ATOM 1028 CB MET A 66 -2.313 -11.498 1.973 1.00 0.00 C ATOM 1029 CG MET A 66 -1.148 -11.137 1.068 1.00 0.00 C ATOM 1030 SD MET A 66 -1.650 -10.886 -0.643 1.00 0.00 S ATOM 1031 CE MET A 66 -0.156 -10.163 -1.313 1.00 0.00 C ATOM 0 H MET A 66 -1.888 -9.245 2.932 1.00 0.00 H new ATOM 0 HA MET A 66 -3.779 -10.233 1.046 1.00 0.00 H new ATOM 0 HB2 MET A 66 -1.936 -11.694 2.977 1.00 0.00 H new ATOM 0 HB3 MET A 66 -2.766 -12.423 1.617 1.00 0.00 H new ATOM 0 HG2 MET A 66 -0.672 -10.230 1.440 1.00 0.00 H new ATOM 0 HG3 MET A 66 -0.401 -11.929 1.111 1.00 0.00 H new ATOM 0 HE1 MET A 66 -0.360 -9.143 -1.638 1.00 0.00 H new ATOM 0 HE2 MET A 66 0.618 -10.151 -0.546 1.00 0.00 H new ATOM 0 HE3 MET A 66 0.185 -10.754 -2.163 1.00 0.00 H new ATOM 1041 N SER A 67 -4.398 -10.597 4.235 1.00 0.00 N ATOM 1042 CA SER A 67 -5.408 -10.976 5.209 1.00 0.00 C ATOM 1043 C SER A 67 -6.665 -10.125 5.032 1.00 0.00 C ATOM 1044 O SER A 67 -7.783 -10.597 5.240 1.00 0.00 O ATOM 1045 CB SER A 67 -4.852 -10.827 6.631 1.00 0.00 C ATOM 1046 OG SER A 67 -5.711 -11.420 7.591 1.00 0.00 O ATOM 0 H SER A 67 -3.598 -10.104 4.631 1.00 0.00 H new ATOM 0 HA SER A 67 -5.676 -12.020 5.048 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.867 -11.290 6.688 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.721 -9.770 6.862 1.00 0.00 H new ATOM 0 HG SER A 67 -5.327 -11.309 8.486 1.00 0.00 H new ATOM 1052 N SER A 68 -6.474 -8.875 4.623 1.00 0.00 N ATOM 1053 CA SER A 68 -7.584 -7.954 4.417 1.00 0.00 C ATOM 1054 C SER A 68 -8.012 -7.959 2.950 1.00 0.00 C ATOM 1055 O SER A 68 -8.859 -7.165 2.529 1.00 0.00 O ATOM 1056 CB SER A 68 -7.184 -6.539 4.863 1.00 0.00 C ATOM 1057 OG SER A 68 -8.291 -5.648 4.837 1.00 0.00 O ATOM 0 H SER A 68 -5.556 -8.476 4.427 1.00 0.00 H new ATOM 0 HA SER A 68 -8.431 -8.280 5.020 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.772 -6.578 5.871 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.397 -6.161 4.211 1.00 0.00 H new ATOM 0 HG SER A 68 -8.854 -5.849 4.061 1.00 0.00 H new ATOM 1063 N LEU A 69 -7.419 -8.861 2.177 1.00 0.00 N ATOM 1064 CA LEU A 69 -7.760 -9.018 0.772 1.00 0.00 C ATOM 1065 C LEU A 69 -9.105 -9.718 0.628 1.00 0.00 C ATOM 1066 O LEU A 69 -9.229 -10.914 0.905 1.00 0.00 O ATOM 1067 CB LEU A 69 -6.667 -9.811 0.044 1.00 0.00 C ATOM 1068 CG LEU A 69 -6.955 -10.142 -1.423 1.00 0.00 C ATOM 1069 CD1 LEU A 69 -7.078 -8.875 -2.253 1.00 0.00 C ATOM 1070 CD2 LEU A 69 -5.868 -11.044 -1.983 1.00 0.00 C ATOM 0 H LEU A 69 -6.694 -9.499 2.505 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.833 -8.029 0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.737 -9.244 0.094 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.501 -10.744 0.582 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.907 -10.670 -1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.283 -9.138 -3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.894 -8.264 -1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.146 -8.312 -2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.086 -11.271 -3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.905 -10.538 -1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.833 -11.970 -1.410 1.00 0.00 H new ATOM 1440 N THR B 8 3.932 9.941 -16.801 1.00 0.00 N ATOM 1441 CA THR B 8 5.240 10.568 -16.868 1.00 0.00 C ATOM 1442 C THR B 8 5.902 10.542 -15.492 1.00 0.00 C ATOM 1443 O THR B 8 5.212 10.494 -14.468 1.00 0.00 O ATOM 1444 CB THR B 8 5.147 12.019 -17.388 1.00 0.00 C ATOM 1445 OG1 THR B 8 4.334 12.811 -16.518 1.00 0.00 O ATOM 1446 CG2 THR B 8 4.554 12.053 -18.787 1.00 0.00 C ATOM 0 HA THR B 8 5.849 10.001 -17.573 1.00 0.00 H new ATOM 0 HB THR B 8 6.157 12.428 -17.416 1.00 0.00 H new ATOM 0 HG1 THR B 8 4.286 13.728 -16.860 1.00 0.00 H new ATOM 0 HG21 THR B 8 4.498 13.085 -19.133 1.00 0.00 H new ATOM 0 HG22 THR B 8 5.185 11.477 -19.464 1.00 0.00 H new ATOM 0 HG23 THR B 8 3.553 11.622 -18.769 1.00 0.00 H new ATOM 1454 N ASP B 9 7.233 10.562 -15.463 1.00 0.00 N ATOM 1455 CA ASP B 9 7.969 10.480 -14.201 1.00 0.00 C ATOM 1456 C ASP B 9 7.646 11.672 -13.312 1.00 0.00 C ATOM 1457 O ASP B 9 7.572 11.542 -12.089 1.00 0.00 O ATOM 1458 CB ASP B 9 9.485 10.390 -14.438 1.00 0.00 C ATOM 1459 CG ASP B 9 10.094 11.671 -14.980 1.00 0.00 C ATOM 1460 OD1 ASP B 9 10.060 11.871 -16.213 1.00 0.00 O ATOM 1461 OD2 ASP B 9 10.617 12.477 -14.180 1.00 0.00 O ATOM 0 H ASP B 9 7.822 10.634 -16.293 1.00 0.00 H new ATOM 0 HA ASP B 9 7.652 9.568 -13.696 1.00 0.00 H new ATOM 0 HB2 ASP B 9 9.976 10.133 -13.499 1.00 0.00 H new ATOM 0 HB3 ASP B 9 9.687 9.578 -15.136 1.00 0.00 H new ATOM 1466 N GLU B 10 7.429 12.827 -13.931 1.00 0.00 N ATOM 1467 CA GLU B 10 7.098 14.031 -13.188 1.00 0.00 C ATOM 1468 C GLU B 10 5.672 13.952 -12.643 1.00 0.00 C ATOM 1469 O GLU B 10 5.411 14.399 -11.538 1.00 0.00 O ATOM 1470 CB GLU B 10 7.259 15.281 -14.060 1.00 0.00 C ATOM 1471 CG GLU B 10 6.314 15.332 -15.249 1.00 0.00 C ATOM 1472 CD GLU B 10 5.643 16.681 -15.389 1.00 0.00 C ATOM 1473 OE1 GLU B 10 4.831 17.037 -14.506 1.00 0.00 O ATOM 1474 OE2 GLU B 10 5.930 17.394 -16.375 1.00 0.00 O ATOM 0 H GLU B 10 7.477 12.952 -14.942 1.00 0.00 H new ATOM 0 HA GLU B 10 7.792 14.106 -12.351 1.00 0.00 H new ATOM 0 HB2 GLU B 10 7.098 16.165 -13.443 1.00 0.00 H new ATOM 0 HB3 GLU B 10 8.286 15.328 -14.423 1.00 0.00 H new ATOM 0 HG2 GLU B 10 6.868 15.107 -16.161 1.00 0.00 H new ATOM 0 HG3 GLU B 10 5.553 14.559 -15.139 1.00 0.00 H new ATOM 1481 N GLN B 11 4.766 13.364 -13.420 1.00 0.00 N ATOM 1482 CA GLN B 11 3.353 13.272 -13.046 1.00 0.00 C ATOM 1483 C GLN B 11 3.192 12.573 -11.700 1.00 0.00 C ATOM 1484 O GLN B 11 2.515 13.070 -10.801 1.00 0.00 O ATOM 1485 CB GLN B 11 2.597 12.506 -14.132 1.00 0.00 C ATOM 1486 CG GLN B 11 1.086 12.513 -13.993 1.00 0.00 C ATOM 1487 CD GLN B 11 0.422 11.836 -15.176 1.00 0.00 C ATOM 1488 OE1 GLN B 11 0.956 11.845 -16.288 1.00 0.00 O ATOM 1489 NE2 GLN B 11 -0.740 11.247 -14.959 1.00 0.00 N ATOM 0 H GLN B 11 4.986 12.940 -14.321 1.00 0.00 H new ATOM 0 HA GLN B 11 2.944 14.278 -12.953 1.00 0.00 H new ATOM 0 HB2 GLN B 11 2.859 12.929 -15.102 1.00 0.00 H new ATOM 0 HB3 GLN B 11 2.941 11.472 -14.132 1.00 0.00 H new ATOM 0 HG2 GLN B 11 0.801 12.004 -13.072 1.00 0.00 H new ATOM 0 HG3 GLN B 11 0.731 13.540 -13.912 1.00 0.00 H new ATOM 0 HE21 GLN B 11 -1.152 11.260 -14.026 1.00 0.00 H new ATOM 0 HE22 GLN B 11 -1.226 10.779 -15.725 1.00 0.00 H new ATOM 1498 N VAL B 12 3.838 11.422 -11.580 1.00 0.00 N ATOM 1499 CA VAL B 12 3.818 10.656 -10.343 1.00 0.00 C ATOM 1500 C VAL B 12 4.521 11.431 -9.235 1.00 0.00 C ATOM 1501 O VAL B 12 4.049 11.484 -8.099 1.00 0.00 O ATOM 1502 CB VAL B 12 4.509 9.290 -10.524 1.00 0.00 C ATOM 1503 CG1 VAL B 12 4.451 8.484 -9.236 1.00 0.00 C ATOM 1504 CG2 VAL B 12 3.876 8.518 -11.672 1.00 0.00 C ATOM 0 H VAL B 12 4.385 10.997 -12.329 1.00 0.00 H new ATOM 0 HA VAL B 12 2.776 10.488 -10.072 1.00 0.00 H new ATOM 0 HB VAL B 12 5.557 9.466 -10.768 1.00 0.00 H new ATOM 0 HG11 VAL B 12 4.944 7.524 -9.385 1.00 0.00 H new ATOM 0 HG12 VAL B 12 4.957 9.032 -8.441 1.00 0.00 H new ATOM 0 HG13 VAL B 12 3.410 8.318 -8.957 1.00 0.00 H new ATOM 0 HG21 VAL B 12 4.377 7.557 -11.784 1.00 0.00 H new ATOM 0 HG22 VAL B 12 2.819 8.354 -11.461 1.00 0.00 H new ATOM 0 HG23 VAL B 12 3.977 9.090 -12.594 1.00 0.00 H new ATOM 1514 N GLU B 13 5.641 12.049 -9.594 1.00 0.00 N ATOM 1515 CA GLU B 13 6.440 12.828 -8.658 1.00 0.00 C ATOM 1516 C GLU B 13 5.624 13.976 -8.065 1.00 0.00 C ATOM 1517 O GLU B 13 5.707 14.253 -6.867 1.00 0.00 O ATOM 1518 CB GLU B 13 7.668 13.380 -9.379 1.00 0.00 C ATOM 1519 CG GLU B 13 8.668 14.068 -8.471 1.00 0.00 C ATOM 1520 CD GLU B 13 9.815 14.676 -9.246 1.00 0.00 C ATOM 1521 OE1 GLU B 13 10.387 13.983 -10.110 1.00 0.00 O ATOM 1522 OE2 GLU B 13 10.144 15.854 -9.002 1.00 0.00 O ATOM 0 H GLU B 13 6.019 12.024 -10.541 1.00 0.00 H new ATOM 0 HA GLU B 13 6.753 12.178 -7.841 1.00 0.00 H new ATOM 0 HB2 GLU B 13 8.168 12.562 -9.898 1.00 0.00 H new ATOM 0 HB3 GLU B 13 7.340 14.087 -10.141 1.00 0.00 H new ATOM 0 HG2 GLU B 13 8.163 14.847 -7.901 1.00 0.00 H new ATOM 0 HG3 GLU B 13 9.058 13.349 -7.751 1.00 0.00 H new ATOM 1529 N LYS B 14 4.835 14.628 -8.913 1.00 0.00 N ATOM 1530 CA LYS B 14 3.999 15.748 -8.489 1.00 0.00 C ATOM 1531 C LYS B 14 2.967 15.274 -7.480 1.00 0.00 C ATOM 1532 O LYS B 14 2.837 15.844 -6.397 1.00 0.00 O ATOM 1533 CB LYS B 14 3.285 16.391 -9.687 1.00 0.00 C ATOM 1534 CG LYS B 14 4.221 16.944 -10.751 1.00 0.00 C ATOM 1535 CD LYS B 14 5.033 18.126 -10.248 1.00 0.00 C ATOM 1536 CE LYS B 14 6.105 18.528 -11.253 1.00 0.00 C ATOM 1537 NZ LYS B 14 5.543 18.800 -12.606 1.00 0.00 N ATOM 0 H LYS B 14 4.756 14.399 -9.904 1.00 0.00 H new ATOM 0 HA LYS B 14 4.646 16.495 -8.029 1.00 0.00 H new ATOM 0 HB2 LYS B 14 2.630 15.650 -10.145 1.00 0.00 H new ATOM 0 HB3 LYS B 14 2.648 17.198 -9.325 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.898 16.156 -11.082 1.00 0.00 H new ATOM 0 HG3 LYS B 14 3.639 17.250 -11.620 1.00 0.00 H new ATOM 0 HD2 LYS B 14 4.371 18.972 -10.061 1.00 0.00 H new ATOM 0 HD3 LYS B 14 5.500 17.871 -9.297 1.00 0.00 H new ATOM 0 HE2 LYS B 14 6.622 19.417 -10.892 1.00 0.00 H new ATOM 0 HE3 LYS B 14 6.848 17.734 -11.324 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 6.137 19.500 -13.094 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 5.523 17.918 -13.157 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 4.576 19.172 -12.512 1.00 0.00 H new ATOM 1551 N ILE B 15 2.258 14.208 -7.836 1.00 0.00 N ATOM 1552 CA ILE B 15 1.219 13.657 -6.973 1.00 0.00 C ATOM 1553 C ILE B 15 1.806 13.203 -5.636 1.00 0.00 C ATOM 1554 O ILE B 15 1.242 13.479 -4.575 1.00 0.00 O ATOM 1555 CB ILE B 15 0.489 12.478 -7.650 1.00 0.00 C ATOM 1556 CG1 ILE B 15 -0.175 12.948 -8.950 1.00 0.00 C ATOM 1557 CG2 ILE B 15 -0.549 11.876 -6.709 1.00 0.00 C ATOM 1558 CD1 ILE B 15 -0.866 11.843 -9.720 1.00 0.00 C ATOM 0 H ILE B 15 2.384 13.708 -8.716 1.00 0.00 H new ATOM 0 HA ILE B 15 0.495 14.451 -6.792 1.00 0.00 H new ATOM 0 HB ILE B 15 1.221 11.706 -7.888 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -0.904 13.724 -8.714 1.00 0.00 H new ATOM 0 HG13 ILE B 15 0.581 13.404 -9.589 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -1.052 11.046 -7.205 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -0.056 11.514 -5.807 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -1.282 12.637 -6.441 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -1.311 12.254 -10.626 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -0.139 11.077 -9.988 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -1.647 11.401 -9.101 1.00 0.00 H new ATOM 1570 N LEU B 16 2.944 12.515 -5.692 1.00 0.00 N ATOM 1571 CA LEU B 16 3.640 12.085 -4.483 1.00 0.00 C ATOM 1572 C LEU B 16 3.960 13.272 -3.579 1.00 0.00 C ATOM 1573 O LEU B 16 3.775 13.202 -2.365 1.00 0.00 O ATOM 1574 CB LEU B 16 4.932 11.344 -4.835 1.00 0.00 C ATOM 1575 CG LEU B 16 4.744 9.946 -5.425 1.00 0.00 C ATOM 1576 CD1 LEU B 16 6.087 9.353 -5.823 1.00 0.00 C ATOM 1577 CD2 LEU B 16 4.035 9.042 -4.426 1.00 0.00 C ATOM 0 H LEU B 16 3.403 12.244 -6.561 1.00 0.00 H new ATOM 0 HA LEU B 16 2.975 11.408 -3.947 1.00 0.00 H new ATOM 0 HB2 LEU B 16 5.495 11.948 -5.546 1.00 0.00 H new ATOM 0 HB3 LEU B 16 5.541 11.261 -3.935 1.00 0.00 H new ATOM 0 HG LEU B 16 4.125 10.025 -6.319 1.00 0.00 H new ATOM 0 HD11 LEU B 16 5.936 8.358 -6.241 1.00 0.00 H new ATOM 0 HD12 LEU B 16 6.560 9.992 -6.569 1.00 0.00 H new ATOM 0 HD13 LEU B 16 6.729 9.284 -4.945 1.00 0.00 H new ATOM 0 HD21 LEU B 16 3.908 8.050 -4.859 1.00 0.00 H new ATOM 0 HD22 LEU B 16 4.631 8.967 -3.516 1.00 0.00 H new ATOM 0 HD23 LEU B 16 3.058 9.461 -4.186 1.00 0.00 H new ATOM 1589 N ALA B 17 4.431 14.361 -4.180 1.00 0.00 N ATOM 1590 CA ALA B 17 4.775 15.565 -3.431 1.00 0.00 C ATOM 1591 C ALA B 17 3.543 16.163 -2.762 1.00 0.00 C ATOM 1592 O ALA B 17 3.600 16.597 -1.612 1.00 0.00 O ATOM 1593 CB ALA B 17 5.434 16.588 -4.345 1.00 0.00 C ATOM 0 H ALA B 17 4.583 14.434 -5.186 1.00 0.00 H new ATOM 0 HA ALA B 17 5.483 15.288 -2.650 1.00 0.00 H new ATOM 0 HB1 ALA B 17 5.685 17.480 -3.771 1.00 0.00 H new ATOM 0 HB2 ALA B 17 6.343 16.163 -4.771 1.00 0.00 H new ATOM 0 HB3 ALA B 17 4.747 16.854 -5.148 1.00 0.00 H new ATOM 1599 N GLU B 18 2.431 16.176 -3.486 1.00 0.00 N ATOM 1600 CA GLU B 18 1.174 16.682 -2.948 1.00 0.00 C ATOM 1601 C GLU B 18 0.699 15.821 -1.780 1.00 0.00 C ATOM 1602 O GLU B 18 0.346 16.340 -0.719 1.00 0.00 O ATOM 1603 CB GLU B 18 0.102 16.724 -4.037 1.00 0.00 C ATOM 1604 CG GLU B 18 0.421 17.680 -5.174 1.00 0.00 C ATOM 1605 CD GLU B 18 -0.586 17.603 -6.302 1.00 0.00 C ATOM 1606 OE1 GLU B 18 -0.478 16.687 -7.138 1.00 0.00 O ATOM 1607 OE2 GLU B 18 -1.498 18.461 -6.360 1.00 0.00 O ATOM 0 H GLU B 18 2.374 15.842 -4.448 1.00 0.00 H new ATOM 0 HA GLU B 18 1.346 17.695 -2.585 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -0.029 15.721 -4.444 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -0.848 17.013 -3.588 1.00 0.00 H new ATOM 0 HG2 GLU B 18 0.451 18.699 -4.789 1.00 0.00 H new ATOM 0 HG3 GLU B 18 1.414 17.457 -5.563 1.00 0.00 H new ATOM 1614 N VAL B 19 0.704 14.504 -1.975 1.00 0.00 N ATOM 1615 CA VAL B 19 0.307 13.569 -0.927 1.00 0.00 C ATOM 1616 C VAL B 19 1.212 13.717 0.295 1.00 0.00 C ATOM 1617 O VAL B 19 0.731 13.781 1.428 1.00 0.00 O ATOM 1618 CB VAL B 19 0.347 12.106 -1.427 1.00 0.00 C ATOM 1619 CG1 VAL B 19 0.033 11.132 -0.298 1.00 0.00 C ATOM 1620 CG2 VAL B 19 -0.627 11.911 -2.580 1.00 0.00 C ATOM 0 H VAL B 19 0.979 14.060 -2.851 1.00 0.00 H new ATOM 0 HA VAL B 19 -0.719 13.809 -0.649 1.00 0.00 H new ATOM 0 HB VAL B 19 1.357 11.899 -1.782 1.00 0.00 H new ATOM 0 HG11 VAL B 19 0.068 10.111 -0.678 1.00 0.00 H new ATOM 0 HG12 VAL B 19 0.768 11.248 0.498 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -0.963 11.339 0.095 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -0.586 10.876 -2.920 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -1.638 12.143 -2.245 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -0.355 12.574 -3.402 1.00 0.00 H new ATOM 1630 N ALA B 20 2.518 13.794 0.055 1.00 0.00 N ATOM 1631 CA ALA B 20 3.487 13.973 1.129 1.00 0.00 C ATOM 1632 C ALA B 20 3.236 15.278 1.874 1.00 0.00 C ATOM 1633 O ALA B 20 3.361 15.339 3.095 1.00 0.00 O ATOM 1634 CB ALA B 20 4.905 13.940 0.582 1.00 0.00 C ATOM 0 H ALA B 20 2.929 13.735 -0.877 1.00 0.00 H new ATOM 0 HA ALA B 20 3.368 13.149 1.832 1.00 0.00 H new ATOM 0 HB1 ALA B 20 5.613 14.075 1.399 1.00 0.00 H new ATOM 0 HB2 ALA B 20 5.087 12.980 0.100 1.00 0.00 H new ATOM 0 HB3 ALA B 20 5.033 14.741 -0.146 1.00 0.00 H new ATOM 1640 N LEU B 21 2.876 16.320 1.134 1.00 0.00 N ATOM 1641 CA LEU B 21 2.561 17.609 1.732 1.00 0.00 C ATOM 1642 C LEU B 21 1.367 17.484 2.674 1.00 0.00 C ATOM 1643 O LEU B 21 1.369 18.051 3.765 1.00 0.00 O ATOM 1644 CB LEU B 21 2.288 18.652 0.640 1.00 0.00 C ATOM 1645 CG LEU B 21 1.978 20.068 1.136 1.00 0.00 C ATOM 1646 CD1 LEU B 21 2.604 21.097 0.213 1.00 0.00 C ATOM 1647 CD2 LEU B 21 0.473 20.295 1.224 1.00 0.00 C ATOM 0 H LEU B 21 2.795 16.296 0.117 1.00 0.00 H new ATOM 0 HA LEU B 21 3.420 17.941 2.315 1.00 0.00 H new ATOM 0 HB2 LEU B 21 3.157 18.699 -0.017 1.00 0.00 H new ATOM 0 HB3 LEU B 21 1.449 18.307 0.035 1.00 0.00 H new ATOM 0 HG LEU B 21 2.403 20.179 2.134 1.00 0.00 H new ATOM 0 HD11 LEU B 21 2.376 22.099 0.577 1.00 0.00 H new ATOM 0 HD12 LEU B 21 3.685 20.956 0.191 1.00 0.00 H new ATOM 0 HD13 LEU B 21 2.202 20.976 -0.793 1.00 0.00 H new ATOM 0 HD21 LEU B 21 0.278 21.307 1.578 1.00 0.00 H new ATOM 0 HD22 LEU B 21 0.027 20.163 0.238 1.00 0.00 H new ATOM 0 HD23 LEU B 21 0.037 19.577 1.918 1.00 0.00 H new ATOM 1659 N VAL B 22 0.361 16.725 2.255 1.00 0.00 N ATOM 1660 CA VAL B 22 -0.819 16.490 3.081 1.00 0.00 C ATOM 1661 C VAL B 22 -0.427 15.756 4.359 1.00 0.00 C ATOM 1662 O VAL B 22 -0.853 16.123 5.459 1.00 0.00 O ATOM 1663 CB VAL B 22 -1.892 15.670 2.323 1.00 0.00 C ATOM 1664 CG1 VAL B 22 -3.094 15.389 3.213 1.00 0.00 C ATOM 1665 CG2 VAL B 22 -2.325 16.399 1.060 1.00 0.00 C ATOM 0 H VAL B 22 0.338 16.261 1.347 1.00 0.00 H new ATOM 0 HA VAL B 22 -1.245 17.462 3.330 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.450 14.715 2.040 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -3.832 14.812 2.656 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -2.775 14.822 4.087 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -3.537 16.332 3.534 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -3.079 15.809 0.540 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -2.744 17.370 1.326 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -1.463 16.542 0.408 1.00 0.00 H new ATOM 1675 N LEU B 23 0.406 14.734 4.205 1.00 0.00 N ATOM 1676 CA LEU B 23 0.877 13.946 5.337 1.00 0.00 C ATOM 1677 C LEU B 23 1.687 14.810 6.295 1.00 0.00 C ATOM 1678 O LEU B 23 1.429 14.822 7.499 1.00 0.00 O ATOM 1679 CB LEU B 23 1.726 12.768 4.855 1.00 0.00 C ATOM 1680 CG LEU B 23 1.029 11.821 3.876 1.00 0.00 C ATOM 1681 CD1 LEU B 23 1.942 10.665 3.506 1.00 0.00 C ATOM 1682 CD2 LEU B 23 -0.278 11.308 4.459 1.00 0.00 C ATOM 0 H LEU B 23 0.771 14.430 3.302 1.00 0.00 H new ATOM 0 HA LEU B 23 0.005 13.560 5.865 1.00 0.00 H new ATOM 0 HB2 LEU B 23 2.625 13.159 4.379 1.00 0.00 H new ATOM 0 HB3 LEU B 23 2.049 12.194 5.724 1.00 0.00 H new ATOM 0 HG LEU B 23 0.800 12.379 2.968 1.00 0.00 H new ATOM 0 HD11 LEU B 23 1.427 10.003 2.809 1.00 0.00 H new ATOM 0 HD12 LEU B 23 2.847 11.052 3.038 1.00 0.00 H new ATOM 0 HD13 LEU B 23 2.208 10.109 4.405 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -0.756 10.637 3.746 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -0.077 10.770 5.385 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -0.940 12.149 4.665 1.00 0.00 H new ATOM 1694 N GLU B 24 2.651 15.541 5.753 1.00 0.00 N ATOM 1695 CA GLU B 24 3.503 16.407 6.559 1.00 0.00 C ATOM 1696 C GLU B 24 2.698 17.512 7.239 1.00 0.00 C ATOM 1697 O GLU B 24 2.948 17.846 8.400 1.00 0.00 O ATOM 1698 CB GLU B 24 4.616 17.018 5.703 1.00 0.00 C ATOM 1699 CG GLU B 24 5.930 16.243 5.751 1.00 0.00 C ATOM 1700 CD GLU B 24 5.833 14.834 5.191 1.00 0.00 C ATOM 1701 OE1 GLU B 24 5.173 13.981 5.817 1.00 0.00 O ATOM 1702 OE2 GLU B 24 6.459 14.566 4.143 1.00 0.00 O ATOM 0 H GLU B 24 2.864 15.552 4.755 1.00 0.00 H new ATOM 0 HA GLU B 24 3.952 15.790 7.337 1.00 0.00 H new ATOM 0 HB2 GLU B 24 4.276 17.074 4.669 1.00 0.00 H new ATOM 0 HB3 GLU B 24 4.796 18.040 6.035 1.00 0.00 H new ATOM 0 HG2 GLU B 24 6.687 16.794 5.193 1.00 0.00 H new ATOM 0 HG3 GLU B 24 6.272 16.190 6.785 1.00 0.00 H new ATOM 1709 N LYS B 25 1.729 18.067 6.519 1.00 0.00 N ATOM 1710 CA LYS B 25 0.879 19.125 7.057 1.00 0.00 C ATOM 1711 C LYS B 25 0.063 18.614 8.241 1.00 0.00 C ATOM 1712 O LYS B 25 -0.073 19.295 9.257 1.00 0.00 O ATOM 1713 CB LYS B 25 -0.054 19.670 5.970 1.00 0.00 C ATOM 1714 CG LYS B 25 -0.978 20.777 6.452 1.00 0.00 C ATOM 1715 CD LYS B 25 -1.826 21.328 5.320 1.00 0.00 C ATOM 1716 CE LYS B 25 -2.759 22.412 5.821 1.00 0.00 C ATOM 1717 NZ LYS B 25 -3.523 23.042 4.716 1.00 0.00 N ATOM 0 H LYS B 25 1.512 17.801 5.558 1.00 0.00 H new ATOM 0 HA LYS B 25 1.523 19.933 7.404 1.00 0.00 H new ATOM 0 HB2 LYS B 25 0.548 20.047 5.143 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -0.657 18.851 5.578 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -1.626 20.394 7.240 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -0.386 21.581 6.889 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -1.180 21.731 4.539 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -2.406 20.523 4.870 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -3.453 21.986 6.545 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -2.181 23.175 6.343 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -4.149 23.778 5.102 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -2.862 23.471 4.037 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -4.095 22.320 4.233 1.00 0.00 H new ATOM 1731 N HIS B 26 -0.456 17.400 8.116 1.00 0.00 N ATOM 1732 CA HIS B 26 -1.256 16.807 9.181 1.00 0.00 C ATOM 1733 C HIS B 26 -0.375 16.154 10.241 1.00 0.00 C ATOM 1734 O HIS B 26 -0.883 15.649 11.242 1.00 0.00 O ATOM 1735 CB HIS B 26 -2.231 15.771 8.621 1.00 0.00 C ATOM 1736 CG HIS B 26 -3.441 16.354 7.958 1.00 0.00 C ATOM 1737 ND1 HIS B 26 -4.644 16.511 8.603 1.00 0.00 N ATOM 1738 CD2 HIS B 26 -3.642 16.778 6.688 1.00 0.00 C ATOM 1739 CE1 HIS B 26 -5.533 17.000 7.761 1.00 0.00 C ATOM 1740 NE2 HIS B 26 -4.953 17.171 6.588 1.00 0.00 N ATOM 0 H HIS B 26 -0.339 16.809 7.293 1.00 0.00 H new ATOM 0 HA HIS B 26 -1.821 17.615 9.645 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -1.703 15.145 7.901 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -2.555 15.119 9.432 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -2.906 16.802 5.898 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -6.564 17.223 7.993 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -5.404 17.534 5.748 1.00 0.00 H new ATOM 1749 N ALA B 27 0.938 16.182 10.013 1.00 0.00 N ATOM 1750 CA ALA B 27 1.912 15.564 10.913 1.00 0.00 C ATOM 1751 C ALA B 27 1.654 14.067 11.040 1.00 0.00 C ATOM 1752 O ALA B 27 1.641 13.512 12.140 1.00 0.00 O ATOM 1753 CB ALA B 27 1.892 16.238 12.280 1.00 0.00 C ATOM 0 H ALA B 27 1.356 16.633 9.200 1.00 0.00 H new ATOM 0 HA ALA B 27 2.905 15.702 10.486 1.00 0.00 H new ATOM 0 HB1 ALA B 27 2.624 15.761 12.931 1.00 0.00 H new ATOM 0 HB2 ALA B 27 2.138 17.294 12.169 1.00 0.00 H new ATOM 0 HB3 ALA B 27 0.899 16.141 12.719 1.00 0.00 H new ATOM 1759 N ALA B 28 1.452 13.421 9.899 1.00 0.00 N ATOM 1760 CA ALA B 28 1.175 11.996 9.859 1.00 0.00 C ATOM 1761 C ALA B 28 2.367 11.188 10.352 1.00 0.00 C ATOM 1762 O ALA B 28 3.460 11.248 9.780 1.00 0.00 O ATOM 1763 CB ALA B 28 0.792 11.571 8.450 1.00 0.00 C ATOM 0 H ALA B 28 1.476 13.869 8.983 1.00 0.00 H new ATOM 0 HA ALA B 28 0.337 11.798 10.527 1.00 0.00 H new ATOM 0 HB1 ALA B 28 0.587 10.500 8.436 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -0.099 12.115 8.135 1.00 0.00 H new ATOM 0 HB3 ALA B 28 1.612 11.793 7.767 1.00 0.00 H new ATOM 1769 N SER B 29 2.146 10.441 11.422 1.00 0.00 N ATOM 1770 CA SER B 29 3.163 9.575 11.987 1.00 0.00 C ATOM 1771 C SER B 29 3.436 8.399 11.050 1.00 0.00 C ATOM 1772 O SER B 29 2.620 8.104 10.174 1.00 0.00 O ATOM 1773 CB SER B 29 2.689 9.072 13.351 1.00 0.00 C ATOM 1774 OG SER B 29 1.401 8.490 13.247 1.00 0.00 O ATOM 0 H SER B 29 1.257 10.419 11.921 1.00 0.00 H new ATOM 0 HA SER B 29 4.091 10.134 12.110 1.00 0.00 H new ATOM 0 HB2 SER B 29 3.395 8.338 13.740 1.00 0.00 H new ATOM 0 HB3 SER B 29 2.664 9.899 14.061 1.00 0.00 H new ATOM 0 HG SER B 29 1.273 7.847 13.976 1.00 0.00 H new ATOM 1780 N PRO B 30 4.585 7.718 11.210 1.00 0.00 N ATOM 1781 CA PRO B 30 4.931 6.538 10.411 1.00 0.00 C ATOM 1782 C PRO B 30 3.813 5.497 10.399 1.00 0.00 C ATOM 1783 O PRO B 30 3.473 4.953 9.346 1.00 0.00 O ATOM 1784 CB PRO B 30 6.180 5.973 11.100 1.00 0.00 C ATOM 1785 CG PRO B 30 6.314 6.722 12.385 1.00 0.00 C ATOM 1786 CD PRO B 30 5.653 8.048 12.163 1.00 0.00 C ATOM 0 HA PRO B 30 5.094 6.798 9.365 1.00 0.00 H new ATOM 0 HB2 PRO B 30 6.076 4.903 11.281 1.00 0.00 H new ATOM 0 HB3 PRO B 30 7.064 6.106 10.476 1.00 0.00 H new ATOM 0 HG2 PRO B 30 5.838 6.181 13.203 1.00 0.00 H new ATOM 0 HG3 PRO B 30 7.362 6.849 12.655 1.00 0.00 H new ATOM 0 HD2 PRO B 30 5.256 8.463 13.089 1.00 0.00 H new ATOM 0 HD3 PRO B 30 6.347 8.784 11.756 1.00 0.00 H new ATOM 1794 N GLU B 31 3.238 5.242 11.571 1.00 0.00 N ATOM 1795 CA GLU B 31 2.139 4.288 11.701 1.00 0.00 C ATOM 1796 C GLU B 31 0.958 4.715 10.834 1.00 0.00 C ATOM 1797 O GLU B 31 0.485 3.953 9.990 1.00 0.00 O ATOM 1798 CB GLU B 31 1.683 4.190 13.156 1.00 0.00 C ATOM 1799 CG GLU B 31 2.789 3.833 14.136 1.00 0.00 C ATOM 1800 CD GLU B 31 2.314 3.874 15.576 1.00 0.00 C ATOM 1801 OE1 GLU B 31 1.727 2.877 16.037 1.00 0.00 O ATOM 1802 OE2 GLU B 31 2.507 4.912 16.240 1.00 0.00 O ATOM 0 H GLU B 31 3.516 5.684 12.447 1.00 0.00 H new ATOM 0 HA GLU B 31 2.498 3.314 11.370 1.00 0.00 H new ATOM 0 HB2 GLU B 31 1.245 5.143 13.452 1.00 0.00 H new ATOM 0 HB3 GLU B 31 0.894 3.441 13.228 1.00 0.00 H new ATOM 0 HG2 GLU B 31 3.166 2.836 13.908 1.00 0.00 H new ATOM 0 HG3 GLU B 31 3.621 4.525 14.010 1.00 0.00 H new ATOM 1809 N LEU B 32 0.503 5.949 11.042 1.00 0.00 N ATOM 1810 CA LEU B 32 -0.628 6.495 10.300 1.00 0.00 C ATOM 1811 C LEU B 32 -0.340 6.493 8.802 1.00 0.00 C ATOM 1812 O LEU B 32 -1.182 6.092 8.004 1.00 0.00 O ATOM 1813 CB LEU B 32 -0.939 7.921 10.782 1.00 0.00 C ATOM 1814 CG LEU B 32 -2.121 8.610 10.091 1.00 0.00 C ATOM 1815 CD1 LEU B 32 -3.390 7.794 10.263 1.00 0.00 C ATOM 1816 CD2 LEU B 32 -2.317 10.014 10.643 1.00 0.00 C ATOM 0 H LEU B 32 0.905 6.593 11.724 1.00 0.00 H new ATOM 0 HA LEU B 32 -1.498 5.864 10.482 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.136 7.888 11.853 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -0.050 8.535 10.640 1.00 0.00 H new ATOM 0 HG LEU B 32 -1.899 8.684 9.026 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -4.218 8.299 9.766 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -3.250 6.807 9.823 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -3.614 7.689 11.325 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -3.160 10.488 10.141 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -2.516 9.960 11.713 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -1.415 10.602 10.471 1.00 0.00 H new ATOM 1828 N THR B 33 0.866 6.916 8.444 1.00 0.00 N ATOM 1829 CA THR B 33 1.289 6.987 7.051 1.00 0.00 C ATOM 1830 C THR B 33 1.139 5.638 6.346 1.00 0.00 C ATOM 1831 O THR B 33 0.512 5.542 5.289 1.00 0.00 O ATOM 1832 CB THR B 33 2.756 7.446 6.956 1.00 0.00 C ATOM 1833 OG1 THR B 33 2.902 8.738 7.555 1.00 0.00 O ATOM 1834 CG2 THR B 33 3.228 7.488 5.511 1.00 0.00 C ATOM 0 H THR B 33 1.577 7.219 9.110 1.00 0.00 H new ATOM 0 HA THR B 33 0.643 7.711 6.555 1.00 0.00 H new ATOM 0 HB THR B 33 3.372 6.725 7.492 1.00 0.00 H new ATOM 0 HG1 THR B 33 2.834 8.656 8.529 1.00 0.00 H new ATOM 0 HG21 THR B 33 4.267 7.816 5.477 1.00 0.00 H new ATOM 0 HG22 THR B 33 3.147 6.493 5.073 1.00 0.00 H new ATOM 0 HG23 THR B 33 2.609 8.185 4.946 1.00 0.00 H new ATOM 1842 N LEU B 34 1.695 4.597 6.945 1.00 0.00 N ATOM 1843 CA LEU B 34 1.702 3.286 6.320 1.00 0.00 C ATOM 1844 C LEU B 34 0.320 2.640 6.404 1.00 0.00 C ATOM 1845 O LEU B 34 -0.089 1.907 5.499 1.00 0.00 O ATOM 1846 CB LEU B 34 2.770 2.403 6.967 1.00 0.00 C ATOM 1847 CG LEU B 34 3.062 1.099 6.227 1.00 0.00 C ATOM 1848 CD1 LEU B 34 4.549 0.800 6.250 1.00 0.00 C ATOM 1849 CD2 LEU B 34 2.287 -0.052 6.850 1.00 0.00 C ATOM 0 H LEU B 34 2.145 4.635 7.859 1.00 0.00 H new ATOM 0 HA LEU B 34 1.947 3.399 5.264 1.00 0.00 H new ATOM 0 HB2 LEU B 34 3.695 2.975 7.045 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.456 2.165 7.983 1.00 0.00 H new ATOM 0 HG LEU B 34 2.743 1.213 5.191 1.00 0.00 H new ATOM 0 HD11 LEU B 34 4.741 -0.132 5.719 1.00 0.00 H new ATOM 0 HD12 LEU B 34 5.091 1.612 5.765 1.00 0.00 H new ATOM 0 HD13 LEU B 34 4.885 0.705 7.283 1.00 0.00 H new ATOM 0 HD21 LEU B 34 2.507 -0.973 6.310 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.579 -0.165 7.894 1.00 0.00 H new ATOM 0 HD23 LEU B 34 1.218 0.156 6.793 1.00 0.00 H new ATOM 1861 N MET B 35 -0.404 2.927 7.479 1.00 0.00 N ATOM 1862 CA MET B 35 -1.770 2.438 7.631 1.00 0.00 C ATOM 1863 C MET B 35 -2.661 3.037 6.545 1.00 0.00 C ATOM 1864 O MET B 35 -3.581 2.386 6.049 1.00 0.00 O ATOM 1865 CB MET B 35 -2.311 2.779 9.022 1.00 0.00 C ATOM 1866 CG MET B 35 -3.720 2.265 9.277 1.00 0.00 C ATOM 1867 SD MET B 35 -4.265 2.536 10.976 1.00 0.00 S ATOM 1868 CE MET B 35 -4.034 4.304 11.133 1.00 0.00 C ATOM 0 H MET B 35 -0.069 3.495 8.257 1.00 0.00 H new ATOM 0 HA MET B 35 -1.769 1.353 7.525 1.00 0.00 H new ATOM 0 HB2 MET B 35 -1.641 2.363 9.774 1.00 0.00 H new ATOM 0 HB3 MET B 35 -2.301 3.861 9.150 1.00 0.00 H new ATOM 0 HG2 MET B 35 -4.412 2.760 8.595 1.00 0.00 H new ATOM 0 HG3 MET B 35 -3.759 1.199 9.053 1.00 0.00 H new ATOM 0 HE1 MET B 35 -4.763 4.705 11.837 1.00 0.00 H new ATOM 0 HE2 MET B 35 -3.027 4.508 11.497 1.00 0.00 H new ATOM 0 HE3 MET B 35 -4.171 4.777 10.160 1.00 0.00 H new ATOM 1878 N ILE B 36 -2.369 4.280 6.177 1.00 0.00 N ATOM 1879 CA ILE B 36 -3.049 4.933 5.067 1.00 0.00 C ATOM 1880 C ILE B 36 -2.783 4.181 3.766 1.00 0.00 C ATOM 1881 O ILE B 36 -3.710 3.891 3.009 1.00 0.00 O ATOM 1882 CB ILE B 36 -2.606 6.411 4.932 1.00 0.00 C ATOM 1883 CG1 ILE B 36 -3.218 7.247 6.061 1.00 0.00 C ATOM 1884 CG2 ILE B 36 -2.987 6.980 3.571 1.00 0.00 C ATOM 1885 CD1 ILE B 36 -2.754 8.687 6.074 1.00 0.00 C ATOM 0 H ILE B 36 -1.663 4.857 6.634 1.00 0.00 H new ATOM 0 HA ILE B 36 -4.119 4.918 5.272 1.00 0.00 H new ATOM 0 HB ILE B 36 -1.520 6.452 5.013 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -4.304 7.226 5.969 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -2.970 6.786 7.017 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -2.663 8.019 3.507 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -2.503 6.400 2.786 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -4.069 6.929 3.445 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -3.230 9.215 6.900 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -1.672 8.719 6.198 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -3.026 9.165 5.133 1.00 0.00 H new ATOM 1897 N ALA B 37 -1.517 3.843 3.528 1.00 0.00 N ATOM 1898 CA ALA B 37 -1.126 3.092 2.337 1.00 0.00 C ATOM 1899 C ALA B 37 -1.864 1.757 2.261 1.00 0.00 C ATOM 1900 O ALA B 37 -2.347 1.362 1.198 1.00 0.00 O ATOM 1901 CB ALA B 37 0.378 2.863 2.322 1.00 0.00 C ATOM 0 H ALA B 37 -0.742 4.079 4.147 1.00 0.00 H new ATOM 0 HA ALA B 37 -1.401 3.683 1.463 1.00 0.00 H new ATOM 0 HB1 ALA B 37 0.652 2.302 1.428 1.00 0.00 H new ATOM 0 HB2 ALA B 37 0.892 3.824 2.319 1.00 0.00 H new ATOM 0 HB3 ALA B 37 0.669 2.298 3.208 1.00 0.00 H new ATOM 1907 N GLY B 38 -1.953 1.074 3.399 1.00 0.00 N ATOM 1908 CA GLY B 38 -2.663 -0.190 3.458 1.00 0.00 C ATOM 1909 C GLY B 38 -4.141 -0.032 3.165 1.00 0.00 C ATOM 1910 O GLY B 38 -4.746 -0.873 2.495 1.00 0.00 O ATOM 0 H GLY B 38 -1.544 1.375 4.284 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -2.225 -0.884 2.741 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -2.536 -0.630 4.447 1.00 0.00 H new ATOM 1914 N ASN B 39 -4.722 1.055 3.658 1.00 0.00 N ATOM 1915 CA ASN B 39 -6.129 1.342 3.423 1.00 0.00 C ATOM 1916 C ASN B 39 -6.354 1.644 1.943 1.00 0.00 C ATOM 1917 O ASN B 39 -7.328 1.188 1.353 1.00 0.00 O ATOM 1918 CB ASN B 39 -6.591 2.515 4.294 1.00 0.00 C ATOM 1919 CG ASN B 39 -8.106 2.606 4.421 1.00 0.00 C ATOM 1920 OD1 ASN B 39 -8.850 2.257 3.508 1.00 0.00 O ATOM 1921 ND2 ASN B 39 -8.571 3.068 5.572 1.00 0.00 N ATOM 0 H ASN B 39 -4.238 1.752 4.224 1.00 0.00 H new ATOM 0 HA ASN B 39 -6.720 0.468 3.696 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -6.155 2.415 5.288 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -6.212 3.445 3.871 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -9.577 3.143 5.722 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -7.923 3.349 6.308 1.00 0.00 H new ATOM 1928 N ILE B 40 -5.426 2.389 1.340 1.00 0.00 N ATOM 1929 CA ILE B 40 -5.496 2.682 -0.091 1.00 0.00 C ATOM 1930 C ILE B 40 -5.517 1.388 -0.901 1.00 0.00 C ATOM 1931 O ILE B 40 -6.409 1.177 -1.723 1.00 0.00 O ATOM 1932 CB ILE B 40 -4.307 3.552 -0.574 1.00 0.00 C ATOM 1933 CG1 ILE B 40 -4.287 4.903 0.146 1.00 0.00 C ATOM 1934 CG2 ILE B 40 -4.384 3.767 -2.082 1.00 0.00 C ATOM 1935 CD1 ILE B 40 -3.065 5.741 -0.171 1.00 0.00 C ATOM 0 H ILE B 40 -4.622 2.798 1.817 1.00 0.00 H new ATOM 0 HA ILE B 40 -6.418 3.242 -0.248 1.00 0.00 H new ATOM 0 HB ILE B 40 -3.385 3.022 -0.337 1.00 0.00 H new ATOM 0 HG12 ILE B 40 -5.182 5.463 -0.125 1.00 0.00 H new ATOM 0 HG13 ILE B 40 -4.331 4.733 1.222 1.00 0.00 H new ATOM 0 HG21 ILE B 40 -3.542 4.380 -2.406 1.00 0.00 H new ATOM 0 HG22 ILE B 40 -4.347 2.803 -2.589 1.00 0.00 H new ATOM 0 HG23 ILE B 40 -5.317 4.272 -2.330 1.00 0.00 H new ATOM 0 HD11 ILE B 40 -3.119 6.683 0.374 1.00 0.00 H new ATOM 0 HD12 ILE B 40 -2.166 5.201 0.126 1.00 0.00 H new ATOM 0 HD13 ILE B 40 -3.030 5.943 -1.242 1.00 0.00 H new ATOM 1947 N ALA B 41 -4.546 0.512 -0.648 1.00 0.00 N ATOM 1948 CA ALA B 41 -4.437 -0.740 -1.379 1.00 0.00 C ATOM 1949 C ALA B 41 -5.697 -1.583 -1.217 1.00 0.00 C ATOM 1950 O ALA B 41 -6.253 -2.065 -2.200 1.00 0.00 O ATOM 1951 CB ALA B 41 -3.213 -1.517 -0.922 1.00 0.00 C ATOM 0 H ALA B 41 -3.825 0.651 0.060 1.00 0.00 H new ATOM 0 HA ALA B 41 -4.325 -0.504 -2.437 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -3.146 -2.451 -1.479 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -2.317 -0.923 -1.101 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -3.297 -1.735 0.143 1.00 0.00 H new ATOM 1957 N THR B 42 -6.161 -1.739 0.018 1.00 0.00 N ATOM 1958 CA THR B 42 -7.349 -2.547 0.281 1.00 0.00 C ATOM 1959 C THR B 42 -8.601 -1.914 -0.329 1.00 0.00 C ATOM 1960 O THR B 42 -9.495 -2.618 -0.805 1.00 0.00 O ATOM 1961 CB THR B 42 -7.570 -2.786 1.793 1.00 0.00 C ATOM 1962 OG1 THR B 42 -7.414 -1.566 2.529 1.00 0.00 O ATOM 1963 CG2 THR B 42 -6.607 -3.829 2.330 1.00 0.00 C ATOM 0 H THR B 42 -5.738 -1.321 0.847 1.00 0.00 H new ATOM 0 HA THR B 42 -7.173 -3.513 -0.193 1.00 0.00 H new ATOM 0 HB THR B 42 -8.589 -3.152 1.920 1.00 0.00 H new ATOM 0 HG1 THR B 42 -6.460 -1.370 2.639 1.00 0.00 H new ATOM 0 HG21 THR B 42 -6.786 -3.976 3.395 1.00 0.00 H new ATOM 0 HG22 THR B 42 -6.760 -4.771 1.803 1.00 0.00 H new ATOM 0 HG23 THR B 42 -5.582 -3.491 2.178 1.00 0.00 H new ATOM 1971 N ASN B 43 -8.656 -0.588 -0.329 1.00 0.00 N ATOM 1972 CA ASN B 43 -9.785 0.129 -0.906 1.00 0.00 C ATOM 1973 C ASN B 43 -9.827 -0.077 -2.416 1.00 0.00 C ATOM 1974 O ASN B 43 -10.899 -0.214 -3.000 1.00 0.00 O ATOM 1975 CB ASN B 43 -9.701 1.621 -0.581 1.00 0.00 C ATOM 1976 CG ASN B 43 -10.981 2.361 -0.912 1.00 0.00 C ATOM 1977 OD1 ASN B 43 -11.163 2.851 -2.026 1.00 0.00 O ATOM 1978 ND2 ASN B 43 -11.877 2.454 0.058 1.00 0.00 N ATOM 0 H ASN B 43 -7.931 0.012 0.064 1.00 0.00 H new ATOM 0 HA ASN B 43 -10.701 -0.269 -0.470 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -9.476 1.747 0.478 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -8.875 2.064 -1.137 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -12.756 2.946 -0.105 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -11.689 2.034 0.968 1.00 0.00 H new ATOM 1985 N VAL B 44 -8.654 -0.109 -3.040 1.00 0.00 N ATOM 1986 CA VAL B 44 -8.548 -0.414 -4.465 1.00 0.00 C ATOM 1987 C VAL B 44 -8.869 -1.884 -4.714 1.00 0.00 C ATOM 1988 O VAL B 44 -9.504 -2.234 -5.704 1.00 0.00 O ATOM 1989 CB VAL B 44 -7.139 -0.085 -5.011 1.00 0.00 C ATOM 1990 CG1 VAL B 44 -7.006 -0.482 -6.473 1.00 0.00 C ATOM 1991 CG2 VAL B 44 -6.831 1.394 -4.838 1.00 0.00 C ATOM 0 H VAL B 44 -7.761 0.073 -2.582 1.00 0.00 H new ATOM 0 HA VAL B 44 -9.270 0.209 -4.993 1.00 0.00 H new ATOM 0 HB VAL B 44 -6.417 -0.665 -4.436 1.00 0.00 H new ATOM 0 HG11 VAL B 44 -6.004 -0.238 -6.827 1.00 0.00 H new ATOM 0 HG12 VAL B 44 -7.176 -1.554 -6.576 1.00 0.00 H new ATOM 0 HG13 VAL B 44 -7.742 0.061 -7.066 1.00 0.00 H new ATOM 0 HG21 VAL B 44 -5.836 1.606 -5.228 1.00 0.00 H new ATOM 0 HG22 VAL B 44 -7.568 1.985 -5.382 1.00 0.00 H new ATOM 0 HG23 VAL B 44 -6.869 1.652 -3.780 1.00 0.00 H new ATOM 2001 N LEU B 45 -8.451 -2.743 -3.794 1.00 0.00 N ATOM 2002 CA LEU B 45 -8.761 -4.163 -3.886 1.00 0.00 C ATOM 2003 C LEU B 45 -10.253 -4.406 -3.650 1.00 0.00 C ATOM 2004 O LEU B 45 -10.759 -5.507 -3.853 1.00 0.00 O ATOM 2005 CB LEU B 45 -7.925 -4.965 -2.889 1.00 0.00 C ATOM 2006 CG LEU B 45 -6.410 -4.906 -3.117 1.00 0.00 C ATOM 2007 CD1 LEU B 45 -5.670 -5.606 -1.986 1.00 0.00 C ATOM 2008 CD2 LEU B 45 -6.047 -5.539 -4.454 1.00 0.00 C ATOM 0 H LEU B 45 -7.898 -2.482 -2.978 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.512 -4.500 -4.892 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -8.140 -4.603 -1.884 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -8.243 -6.007 -2.927 1.00 0.00 H new ATOM 0 HG LEU B 45 -6.108 -3.859 -3.133 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -4.596 -5.553 -2.166 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -5.904 -5.117 -1.041 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -5.979 -6.650 -1.940 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -4.968 -5.488 -4.599 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -6.366 -6.581 -4.462 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -6.547 -5.001 -5.259 1.00 0.00 H new ATOM 2020 N ASN B 46 -10.946 -3.377 -3.189 1.00 0.00 N ATOM 2021 CA ASN B 46 -12.400 -3.412 -3.099 1.00 0.00 C ATOM 2022 C ASN B 46 -13.016 -2.763 -4.330 1.00 0.00 C ATOM 2023 O ASN B 46 -13.911 -3.327 -4.963 1.00 0.00 O ATOM 2024 CB ASN B 46 -12.897 -2.700 -1.836 1.00 0.00 C ATOM 2025 CG ASN B 46 -12.841 -3.576 -0.595 1.00 0.00 C ATOM 2026 OD1 ASN B 46 -11.889 -4.495 -0.542 1.00 0.00 O flip ATOM 2027 ND2 ASN B 46 -13.655 -3.423 0.316 1.00 0.00 N flip ATOM 0 H ASN B 46 -10.525 -2.504 -2.870 1.00 0.00 H new ATOM 0 HA ASN B 46 -12.707 -4.457 -3.046 1.00 0.00 H new ATOM 0 HB2 ASN B 46 -12.296 -1.806 -1.670 1.00 0.00 H new ATOM 0 HB3 ASN B 46 -13.923 -2.369 -1.993 1.00 0.00 H new ATOM 0 HD21 ASN B 46 -14.375 -2.705 0.241 1.00 0.00 H new ATOM 0 HD22 ASN B 46 -13.609 -4.015 1.146 1.00 0.00 H new ATOM 2034 N GLN B 47 -12.521 -1.579 -4.673 1.00 0.00 N ATOM 2035 CA GLN B 47 -13.034 -0.822 -5.805 1.00 0.00 C ATOM 2036 C GLN B 47 -11.890 -0.318 -6.683 1.00 0.00 C ATOM 2037 O GLN B 47 -10.875 0.150 -6.170 1.00 0.00 O ATOM 2038 CB GLN B 47 -13.852 0.377 -5.317 1.00 0.00 C ATOM 2039 CG GLN B 47 -15.060 0.009 -4.471 1.00 0.00 C ATOM 2040 CD GLN B 47 -15.785 1.230 -3.937 1.00 0.00 C ATOM 2041 OE1 GLN B 47 -16.695 1.758 -4.577 1.00 0.00 O ATOM 2042 NE2 GLN B 47 -15.385 1.691 -2.765 1.00 0.00 N ATOM 0 H GLN B 47 -11.757 -1.120 -4.176 1.00 0.00 H new ATOM 0 HA GLN B 47 -13.670 -1.486 -6.390 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -13.203 1.032 -4.736 1.00 0.00 H new ATOM 0 HB3 GLN B 47 -14.190 0.948 -6.182 1.00 0.00 H new ATOM 0 HG2 GLN B 47 -15.750 -0.588 -5.068 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -14.739 -0.614 -3.636 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -14.627 1.225 -2.265 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -15.834 2.512 -2.360 1.00 0.00 H new ATOM 2051 N ARG B 48 -12.089 -0.428 -8.002 1.00 0.00 N ATOM 2052 CA ARG B 48 -11.174 0.084 -9.040 1.00 0.00 C ATOM 2053 C ARG B 48 -10.156 -0.969 -9.469 1.00 0.00 C ATOM 2054 O ARG B 48 -9.182 -0.656 -10.152 1.00 0.00 O ATOM 2055 CB ARG B 48 -10.450 1.378 -8.627 1.00 0.00 C ATOM 2056 CG ARG B 48 -11.374 2.554 -8.347 1.00 0.00 C ATOM 2057 CD ARG B 48 -10.586 3.829 -8.098 1.00 0.00 C ATOM 2058 NE ARG B 48 -11.419 4.892 -7.540 1.00 0.00 N ATOM 2059 CZ ARG B 48 -11.365 6.170 -7.916 1.00 0.00 C ATOM 2060 NH1 ARG B 48 -10.585 6.544 -8.924 1.00 0.00 N ATOM 2061 NH2 ARG B 48 -12.107 7.072 -7.292 1.00 0.00 N ATOM 0 H ARG B 48 -12.912 -0.887 -8.392 1.00 0.00 H new ATOM 0 HA ARG B 48 -11.811 0.326 -9.891 1.00 0.00 H new ATOM 0 HB2 ARG B 48 -9.856 1.178 -7.735 1.00 0.00 H new ATOM 0 HB3 ARG B 48 -9.754 1.659 -9.418 1.00 0.00 H new ATOM 0 HG2 ARG B 48 -12.047 2.699 -9.192 1.00 0.00 H new ATOM 0 HG3 ARG B 48 -11.995 2.333 -7.479 1.00 0.00 H new ATOM 0 HD2 ARG B 48 -9.763 3.618 -7.415 1.00 0.00 H new ATOM 0 HD3 ARG B 48 -10.144 4.170 -9.034 1.00 0.00 H new ATOM 0 HE ARG B 48 -12.088 4.639 -6.813 1.00 0.00 H new ATOM 0 HH11 ARG B 48 -10.021 5.851 -9.417 1.00 0.00 H new ATOM 0 HH12 ARG B 48 -10.550 7.524 -9.205 1.00 0.00 H new ATOM 0 HH21 ARG B 48 -12.718 6.788 -6.526 1.00 0.00 H new ATOM 0 HH22 ARG B 48 -12.068 8.050 -7.577 1.00 0.00 H new ATOM 2075 N VAL B 49 -10.395 -2.221 -9.103 1.00 0.00 N ATOM 2076 CA VAL B 49 -9.521 -3.305 -9.529 1.00 0.00 C ATOM 2077 C VAL B 49 -10.345 -4.538 -9.907 1.00 0.00 C ATOM 2078 O VAL B 49 -11.409 -4.786 -9.331 1.00 0.00 O ATOM 2079 CB VAL B 49 -8.484 -3.657 -8.435 1.00 0.00 C ATOM 2080 CG1 VAL B 49 -9.037 -4.647 -7.425 1.00 0.00 C ATOM 2081 CG2 VAL B 49 -7.198 -4.184 -9.052 1.00 0.00 C ATOM 0 H VAL B 49 -11.179 -2.509 -8.518 1.00 0.00 H new ATOM 0 HA VAL B 49 -8.973 -2.967 -10.409 1.00 0.00 H new ATOM 0 HB VAL B 49 -8.259 -2.735 -7.900 1.00 0.00 H new ATOM 0 HG11 VAL B 49 -8.276 -4.866 -6.676 1.00 0.00 H new ATOM 0 HG12 VAL B 49 -9.913 -4.219 -6.938 1.00 0.00 H new ATOM 0 HG13 VAL B 49 -9.319 -5.568 -7.935 1.00 0.00 H new ATOM 0 HG21 VAL B 49 -6.487 -4.424 -8.262 1.00 0.00 H new ATOM 0 HG22 VAL B 49 -7.414 -5.082 -9.631 1.00 0.00 H new ATOM 0 HG23 VAL B 49 -6.771 -3.424 -9.707 1.00 0.00 H new ATOM 2091 N ALA B 50 -9.859 -5.297 -10.881 1.00 0.00 N ATOM 2092 CA ALA B 50 -10.576 -6.467 -11.372 1.00 0.00 C ATOM 2093 C ALA B 50 -10.573 -7.596 -10.345 1.00 0.00 C ATOM 2094 O ALA B 50 -9.575 -7.825 -9.665 1.00 0.00 O ATOM 2095 CB ALA B 50 -9.968 -6.941 -12.682 1.00 0.00 C ATOM 0 H ALA B 50 -8.969 -5.123 -11.348 1.00 0.00 H new ATOM 0 HA ALA B 50 -11.613 -6.178 -11.544 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -10.511 -7.816 -13.040 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -10.034 -6.144 -13.423 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -8.922 -7.203 -12.524 1.00 0.00 H new ATOM 2101 N ALA B 51 -11.706 -8.280 -10.225 1.00 0.00 N ATOM 2102 CA ALA B 51 -11.838 -9.435 -9.344 1.00 0.00 C ATOM 2103 C ALA B 51 -10.892 -10.559 -9.762 1.00 0.00 C ATOM 2104 O ALA B 51 -10.319 -11.250 -8.920 1.00 0.00 O ATOM 2105 CB ALA B 51 -13.278 -9.926 -9.347 1.00 0.00 C ATOM 0 H ALA B 51 -12.558 -8.049 -10.736 1.00 0.00 H new ATOM 0 HA ALA B 51 -11.566 -9.129 -8.334 1.00 0.00 H new ATOM 0 HB1 ALA B 51 -13.370 -10.789 -8.687 1.00 0.00 H new ATOM 0 HB2 ALA B 51 -13.935 -9.130 -8.997 1.00 0.00 H new ATOM 0 HB3 ALA B 51 -13.563 -10.212 -10.360 1.00 0.00 H new ATOM 2111 N SER B 52 -10.732 -10.736 -11.064 1.00 0.00 N ATOM 2112 CA SER B 52 -9.813 -11.734 -11.591 1.00 0.00 C ATOM 2113 C SER B 52 -8.372 -11.334 -11.296 1.00 0.00 C ATOM 2114 O SER B 52 -7.514 -12.180 -11.039 1.00 0.00 O ATOM 2115 CB SER B 52 -10.020 -11.879 -13.098 1.00 0.00 C ATOM 2116 OG SER B 52 -11.399 -11.980 -13.404 1.00 0.00 O ATOM 0 H SER B 52 -11.227 -10.201 -11.777 1.00 0.00 H new ATOM 0 HA SER B 52 -10.013 -12.691 -11.108 1.00 0.00 H new ATOM 0 HB2 SER B 52 -9.589 -11.021 -13.614 1.00 0.00 H new ATOM 0 HB3 SER B 52 -9.496 -12.764 -13.459 1.00 0.00 H new ATOM 0 HG SER B 52 -11.513 -12.070 -14.373 1.00 0.00 H new ATOM 2122 N GLN B 53 -8.129 -10.030 -11.294 1.00 0.00 N ATOM 2123 CA GLN B 53 -6.794 -9.486 -11.091 1.00 0.00 C ATOM 2124 C GLN B 53 -6.517 -9.300 -9.602 1.00 0.00 C ATOM 2125 O GLN B 53 -5.422 -8.937 -9.209 1.00 0.00 O ATOM 2126 CB GLN B 53 -6.685 -8.136 -11.812 1.00 0.00 C ATOM 2127 CG GLN B 53 -5.257 -7.663 -12.040 1.00 0.00 C ATOM 2128 CD GLN B 53 -4.474 -8.588 -12.949 1.00 0.00 C ATOM 2129 OE1 GLN B 53 -3.825 -9.528 -12.495 1.00 0.00 O ATOM 2130 NE2 GLN B 53 -4.534 -8.331 -14.244 1.00 0.00 N ATOM 0 H GLN B 53 -8.850 -9.322 -11.433 1.00 0.00 H new ATOM 0 HA GLN B 53 -6.059 -10.181 -11.497 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -7.189 -8.210 -12.775 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -7.217 -7.383 -11.231 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -5.274 -6.663 -12.474 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -4.746 -7.585 -11.080 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -5.084 -7.541 -14.582 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -4.031 -8.923 -14.905 1.00 0.00 H new ATOM 2139 N ARG B 54 -7.522 -9.582 -8.786 1.00 0.00 N ATOM 2140 CA ARG B 54 -7.502 -9.274 -7.356 1.00 0.00 C ATOM 2141 C ARG B 54 -6.269 -9.842 -6.643 1.00 0.00 C ATOM 2142 O ARG B 54 -5.420 -9.092 -6.160 1.00 0.00 O ATOM 2143 CB ARG B 54 -8.779 -9.831 -6.723 1.00 0.00 C ATOM 2144 CG ARG B 54 -9.082 -9.328 -5.325 1.00 0.00 C ATOM 2145 CD ARG B 54 -9.320 -7.826 -5.304 1.00 0.00 C ATOM 2146 NE ARG B 54 -10.159 -7.367 -6.417 1.00 0.00 N ATOM 2147 CZ ARG B 54 -11.498 -7.356 -6.415 1.00 0.00 C ATOM 2148 NH1 ARG B 54 -12.181 -7.924 -5.431 1.00 0.00 N ATOM 2149 NH2 ARG B 54 -12.161 -6.791 -7.415 1.00 0.00 N ATOM 0 H ARG B 54 -8.382 -10.034 -9.096 1.00 0.00 H new ATOM 0 HA ARG B 54 -7.451 -8.191 -7.243 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -9.622 -9.587 -7.370 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -8.705 -10.918 -6.692 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -9.962 -9.841 -4.937 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -8.252 -9.574 -4.663 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -9.793 -7.551 -4.361 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -8.360 -7.310 -5.342 1.00 0.00 H new ATOM 0 HE ARG B 54 -9.686 -7.031 -7.256 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -11.687 -8.377 -4.662 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -13.201 -7.908 -5.443 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -11.651 -6.364 -8.188 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -13.181 -6.784 -7.411 1.00 0.00 H new ATOM 2163 N LYS B 55 -6.173 -11.165 -6.587 1.00 0.00 N ATOM 2164 CA LYS B 55 -5.102 -11.821 -5.843 1.00 0.00 C ATOM 2165 C LYS B 55 -3.796 -11.732 -6.625 1.00 0.00 C ATOM 2166 O LYS B 55 -2.710 -11.728 -6.051 1.00 0.00 O ATOM 2167 CB LYS B 55 -5.479 -13.287 -5.580 1.00 0.00 C ATOM 2168 CG LYS B 55 -4.867 -13.890 -4.317 1.00 0.00 C ATOM 2169 CD LYS B 55 -3.390 -14.225 -4.472 1.00 0.00 C ATOM 2170 CE LYS B 55 -2.826 -14.820 -3.188 1.00 0.00 C ATOM 2171 NZ LYS B 55 -1.405 -15.236 -3.332 1.00 0.00 N ATOM 0 H LYS B 55 -6.822 -11.804 -7.046 1.00 0.00 H new ATOM 0 HA LYS B 55 -4.964 -11.319 -4.885 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -6.564 -13.362 -5.512 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -5.171 -13.886 -6.437 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -4.990 -13.190 -3.491 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -5.413 -14.795 -4.052 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -3.258 -14.931 -5.292 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -2.835 -13.324 -4.734 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -2.908 -14.088 -2.385 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -3.426 -15.682 -2.896 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -1.012 -15.459 -2.395 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -1.350 -16.078 -3.940 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -0.859 -14.462 -3.762 1.00 0.00 H new ATOM 2185 N LEU B 56 -3.921 -11.632 -7.938 1.00 0.00 N ATOM 2186 CA LEU B 56 -2.765 -11.595 -8.818 1.00 0.00 C ATOM 2187 C LEU B 56 -2.036 -10.262 -8.660 1.00 0.00 C ATOM 2188 O LEU B 56 -0.817 -10.226 -8.494 1.00 0.00 O ATOM 2189 CB LEU B 56 -3.215 -11.813 -10.271 1.00 0.00 C ATOM 2190 CG LEU B 56 -2.185 -12.462 -11.208 1.00 0.00 C ATOM 2191 CD1 LEU B 56 -2.849 -12.882 -12.509 1.00 0.00 C ATOM 2192 CD2 LEU B 56 -1.030 -11.517 -11.499 1.00 0.00 C ATOM 0 H LEU B 56 -4.818 -11.575 -8.420 1.00 0.00 H new ATOM 0 HA LEU B 56 -2.073 -12.394 -8.550 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -4.111 -12.434 -10.263 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -3.500 -10.848 -10.690 1.00 0.00 H new ATOM 0 HG LEU B 56 -1.786 -13.343 -10.706 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -2.108 -13.340 -13.164 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -3.641 -13.601 -12.298 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -3.275 -12.007 -12.999 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -0.319 -12.006 -12.165 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -1.410 -10.613 -11.975 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -0.532 -11.253 -10.566 1.00 0.00 H new ATOM 2204 N ILE B 57 -2.791 -9.169 -8.683 1.00 0.00 N ATOM 2205 CA ILE B 57 -2.215 -7.839 -8.558 1.00 0.00 C ATOM 2206 C ILE B 57 -1.677 -7.622 -7.147 1.00 0.00 C ATOM 2207 O ILE B 57 -0.670 -6.940 -6.956 1.00 0.00 O ATOM 2208 CB ILE B 57 -3.234 -6.730 -8.927 1.00 0.00 C ATOM 2209 CG1 ILE B 57 -2.510 -5.422 -9.239 1.00 0.00 C ATOM 2210 CG2 ILE B 57 -4.252 -6.510 -7.812 1.00 0.00 C ATOM 2211 CD1 ILE B 57 -3.429 -4.355 -9.784 1.00 0.00 C ATOM 0 H ILE B 57 -3.806 -9.180 -8.787 1.00 0.00 H new ATOM 0 HA ILE B 57 -1.389 -7.772 -9.266 1.00 0.00 H new ATOM 0 HB ILE B 57 -3.773 -7.061 -9.815 1.00 0.00 H new ATOM 0 HG12 ILE B 57 -2.031 -5.053 -8.332 1.00 0.00 H new ATOM 0 HG13 ILE B 57 -1.717 -5.615 -9.962 1.00 0.00 H new ATOM 0 HG21 ILE B 57 -4.950 -5.726 -8.106 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -4.800 -7.435 -7.632 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -3.734 -6.212 -6.900 1.00 0.00 H new ATOM 0 HD11 ILE B 57 -2.856 -3.450 -9.986 1.00 0.00 H new ATOM 0 HD12 ILE B 57 -3.888 -4.707 -10.708 1.00 0.00 H new ATOM 0 HD13 ILE B 57 -4.207 -4.136 -9.052 1.00 0.00 H new ATOM 2223 N ALA B 58 -2.339 -8.226 -6.161 1.00 0.00 N ATOM 2224 CA ALA B 58 -1.869 -8.164 -4.785 1.00 0.00 C ATOM 2225 C ALA B 58 -0.528 -8.877 -4.660 1.00 0.00 C ATOM 2226 O ALA B 58 0.385 -8.405 -3.979 1.00 0.00 O ATOM 2227 CB ALA B 58 -2.892 -8.785 -3.845 1.00 0.00 C ATOM 0 H ALA B 58 -3.198 -8.760 -6.292 1.00 0.00 H new ATOM 0 HA ALA B 58 -1.738 -7.119 -4.505 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -2.525 -8.730 -2.820 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -3.834 -8.242 -3.922 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -3.051 -9.828 -4.118 1.00 0.00 H new ATOM 2233 N GLU B 59 -0.419 -10.012 -5.342 1.00 0.00 N ATOM 2234 CA GLU B 59 0.813 -10.787 -5.374 1.00 0.00 C ATOM 2235 C GLU B 59 1.934 -9.963 -6.000 1.00 0.00 C ATOM 2236 O GLU B 59 3.040 -9.885 -5.465 1.00 0.00 O ATOM 2237 CB GLU B 59 0.594 -12.071 -6.179 1.00 0.00 C ATOM 2238 CG GLU B 59 1.730 -13.071 -6.075 1.00 0.00 C ATOM 2239 CD GLU B 59 1.879 -13.629 -4.678 1.00 0.00 C ATOM 2240 OE1 GLU B 59 0.921 -14.256 -4.184 1.00 0.00 O ATOM 2241 OE2 GLU B 59 2.964 -13.465 -4.079 1.00 0.00 O ATOM 0 H GLU B 59 -1.180 -10.418 -5.886 1.00 0.00 H new ATOM 0 HA GLU B 59 1.097 -11.048 -4.354 1.00 0.00 H new ATOM 0 HB2 GLU B 59 -0.326 -12.547 -5.840 1.00 0.00 H new ATOM 0 HB3 GLU B 59 0.450 -11.809 -7.227 1.00 0.00 H new ATOM 0 HG2 GLU B 59 1.556 -13.889 -6.774 1.00 0.00 H new ATOM 0 HG3 GLU B 59 2.662 -12.591 -6.373 1.00 0.00 H new ATOM 2248 N LYS B 60 1.629 -9.338 -7.132 1.00 0.00 N ATOM 2249 CA LYS B 60 2.595 -8.509 -7.841 1.00 0.00 C ATOM 2250 C LYS B 60 3.055 -7.348 -6.968 1.00 0.00 C ATOM 2251 O LYS B 60 4.242 -7.022 -6.928 1.00 0.00 O ATOM 2252 CB LYS B 60 1.986 -7.973 -9.138 1.00 0.00 C ATOM 2253 CG LYS B 60 1.536 -9.065 -10.095 1.00 0.00 C ATOM 2254 CD LYS B 60 0.923 -8.491 -11.362 1.00 0.00 C ATOM 2255 CE LYS B 60 1.945 -7.727 -12.185 1.00 0.00 C ATOM 2256 NZ LYS B 60 3.070 -8.599 -12.624 1.00 0.00 N ATOM 0 H LYS B 60 0.714 -9.391 -7.580 1.00 0.00 H new ATOM 0 HA LYS B 60 3.459 -9.128 -8.082 1.00 0.00 H new ATOM 0 HB2 LYS B 60 1.133 -7.340 -8.895 1.00 0.00 H new ATOM 0 HB3 LYS B 60 2.719 -7.341 -9.640 1.00 0.00 H new ATOM 0 HG2 LYS B 60 2.388 -9.693 -10.356 1.00 0.00 H new ATOM 0 HG3 LYS B 60 0.808 -9.706 -9.598 1.00 0.00 H new ATOM 0 HD2 LYS B 60 0.504 -9.299 -11.962 1.00 0.00 H new ATOM 0 HD3 LYS B 60 0.099 -7.828 -11.099 1.00 0.00 H new ATOM 0 HE2 LYS B 60 1.458 -7.296 -13.059 1.00 0.00 H new ATOM 0 HE3 LYS B 60 2.337 -6.897 -11.597 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 3.594 -8.130 -13.391 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 3.710 -8.770 -11.822 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 2.693 -9.506 -12.966 1.00 0.00 H new ATOM 2270 N PHE B 61 2.107 -6.735 -6.266 1.00 0.00 N ATOM 2271 CA PHE B 61 2.401 -5.613 -5.384 1.00 0.00 C ATOM 2272 C PHE B 61 3.397 -6.013 -4.303 1.00 0.00 C ATOM 2273 O PHE B 61 4.345 -5.283 -4.024 1.00 0.00 O ATOM 2274 CB PHE B 61 1.117 -5.088 -4.738 1.00 0.00 C ATOM 2275 CG PHE B 61 1.357 -3.994 -3.734 1.00 0.00 C ATOM 2276 CD1 PHE B 61 1.693 -2.716 -4.149 1.00 0.00 C ATOM 2277 CD2 PHE B 61 1.255 -4.247 -2.375 1.00 0.00 C ATOM 2278 CE1 PHE B 61 1.921 -1.712 -3.228 1.00 0.00 C ATOM 2279 CE2 PHE B 61 1.485 -3.248 -1.450 1.00 0.00 C ATOM 2280 CZ PHE B 61 1.816 -1.978 -1.878 1.00 0.00 C ATOM 0 H PHE B 61 1.122 -7.000 -6.292 1.00 0.00 H new ATOM 0 HA PHE B 61 2.845 -4.822 -5.988 1.00 0.00 H new ATOM 0 HB2 PHE B 61 0.453 -4.716 -5.518 1.00 0.00 H new ATOM 0 HB3 PHE B 61 0.602 -5.914 -4.248 1.00 0.00 H new ATOM 0 HD1 PHE B 61 1.778 -2.502 -5.204 1.00 0.00 H new ATOM 0 HD2 PHE B 61 0.992 -5.238 -2.035 1.00 0.00 H new ATOM 0 HE1 PHE B 61 2.181 -0.719 -3.564 1.00 0.00 H new ATOM 0 HE2 PHE B 61 1.406 -3.460 -0.394 1.00 0.00 H new ATOM 0 HZ PHE B 61 1.993 -1.193 -1.157 1.00 0.00 H new ATOM 2290 N ALA B 62 3.178 -7.174 -3.702 1.00 0.00 N ATOM 2291 CA ALA B 62 4.048 -7.651 -2.638 1.00 0.00 C ATOM 2292 C ALA B 62 5.466 -7.873 -3.152 1.00 0.00 C ATOM 2293 O ALA B 62 6.432 -7.451 -2.520 1.00 0.00 O ATOM 2294 CB ALA B 62 3.492 -8.927 -2.031 1.00 0.00 C ATOM 0 H ALA B 62 2.407 -7.801 -3.933 1.00 0.00 H new ATOM 0 HA ALA B 62 4.088 -6.887 -1.862 1.00 0.00 H new ATOM 0 HB1 ALA B 62 4.155 -9.271 -1.237 1.00 0.00 H new ATOM 0 HB2 ALA B 62 2.502 -8.733 -1.619 1.00 0.00 H new ATOM 0 HB3 ALA B 62 3.420 -9.695 -2.801 1.00 0.00 H new ATOM 2300 N GLN B 63 5.589 -8.523 -4.305 1.00 0.00 N ATOM 2301 CA GLN B 63 6.897 -8.738 -4.919 1.00 0.00 C ATOM 2302 C GLN B 63 7.563 -7.408 -5.268 1.00 0.00 C ATOM 2303 O GLN B 63 8.770 -7.238 -5.080 1.00 0.00 O ATOM 2304 CB GLN B 63 6.782 -9.613 -6.170 1.00 0.00 C ATOM 2305 CG GLN B 63 7.030 -11.093 -5.912 1.00 0.00 C ATOM 2306 CD GLN B 63 6.068 -11.699 -4.910 1.00 0.00 C ATOM 2307 OE1 GLN B 63 6.326 -11.711 -3.705 1.00 0.00 O ATOM 2308 NE2 GLN B 63 4.965 -12.228 -5.403 1.00 0.00 N ATOM 0 H GLN B 63 4.805 -8.908 -4.831 1.00 0.00 H new ATOM 0 HA GLN B 63 7.520 -9.258 -4.191 1.00 0.00 H new ATOM 0 HB2 GLN B 63 5.787 -9.490 -6.597 1.00 0.00 H new ATOM 0 HB3 GLN B 63 7.494 -9.260 -6.915 1.00 0.00 H new ATOM 0 HG2 GLN B 63 6.952 -11.636 -6.854 1.00 0.00 H new ATOM 0 HG3 GLN B 63 8.050 -11.225 -5.551 1.00 0.00 H new ATOM 0 HE21 GLN B 63 4.789 -12.197 -6.407 1.00 0.00 H new ATOM 0 HE22 GLN B 63 4.288 -12.668 -4.780 1.00 0.00 H new ATOM 2317 N ALA B 64 6.773 -6.464 -5.762 1.00 0.00 N ATOM 2318 CA ALA B 64 7.282 -5.143 -6.099 1.00 0.00 C ATOM 2319 C ALA B 64 7.738 -4.405 -4.846 1.00 0.00 C ATOM 2320 O ALA B 64 8.788 -3.763 -4.838 1.00 0.00 O ATOM 2321 CB ALA B 64 6.223 -4.335 -6.831 1.00 0.00 C ATOM 0 H ALA B 64 5.776 -6.590 -5.938 1.00 0.00 H new ATOM 0 HA ALA B 64 8.142 -5.267 -6.757 1.00 0.00 H new ATOM 0 HB1 ALA B 64 6.621 -3.350 -7.075 1.00 0.00 H new ATOM 0 HB2 ALA B 64 5.942 -4.851 -7.749 1.00 0.00 H new ATOM 0 HB3 ALA B 64 5.345 -4.224 -6.194 1.00 0.00 H new ATOM 2327 N LEU B 65 6.951 -4.522 -3.786 1.00 0.00 N ATOM 2328 CA LEU B 65 7.263 -3.867 -2.522 1.00 0.00 C ATOM 2329 C LEU B 65 8.503 -4.493 -1.890 1.00 0.00 C ATOM 2330 O LEU B 65 9.297 -3.814 -1.243 1.00 0.00 O ATOM 2331 CB LEU B 65 6.079 -3.969 -1.560 1.00 0.00 C ATOM 2332 CG LEU B 65 6.096 -2.958 -0.414 1.00 0.00 C ATOM 2333 CD1 LEU B 65 6.015 -1.544 -0.963 1.00 0.00 C ATOM 2334 CD2 LEU B 65 4.954 -3.217 0.556 1.00 0.00 C ATOM 0 H LEU B 65 6.088 -5.066 -3.776 1.00 0.00 H new ATOM 0 HA LEU B 65 7.463 -2.814 -2.722 1.00 0.00 H new ATOM 0 HB2 LEU B 65 5.157 -3.840 -2.126 1.00 0.00 H new ATOM 0 HB3 LEU B 65 6.056 -4.974 -1.139 1.00 0.00 H new ATOM 0 HG LEU B 65 7.034 -3.072 0.130 1.00 0.00 H new ATOM 0 HD11 LEU B 65 6.028 -0.832 -0.138 1.00 0.00 H new ATOM 0 HD12 LEU B 65 6.868 -1.358 -1.616 1.00 0.00 H new ATOM 0 HD13 LEU B 65 5.091 -1.426 -1.530 1.00 0.00 H new ATOM 0 HD21 LEU B 65 4.988 -2.484 1.362 1.00 0.00 H new ATOM 0 HD22 LEU B 65 4.003 -3.133 0.029 1.00 0.00 H new ATOM 0 HD23 LEU B 65 5.051 -4.220 0.973 1.00 0.00 H new ATOM 2346 N MET B 66 8.667 -5.795 -2.088 1.00 0.00 N ATOM 2347 CA MET B 66 9.852 -6.496 -1.609 1.00 0.00 C ATOM 2348 C MET B 66 11.078 -6.087 -2.415 1.00 0.00 C ATOM 2349 O MET B 66 12.207 -6.193 -1.940 1.00 0.00 O ATOM 2350 CB MET B 66 9.660 -8.014 -1.687 1.00 0.00 C ATOM 2351 CG MET B 66 9.414 -8.696 -0.343 1.00 0.00 C ATOM 2352 SD MET B 66 7.754 -8.430 0.331 1.00 0.00 S ATOM 2353 CE MET B 66 7.890 -6.776 1.008 1.00 0.00 C ATOM 0 H MET B 66 7.995 -6.387 -2.577 1.00 0.00 H new ATOM 0 HA MET B 66 10.005 -6.219 -0.566 1.00 0.00 H new ATOM 0 HB2 MET B 66 8.819 -8.227 -2.346 1.00 0.00 H new ATOM 0 HB3 MET B 66 10.544 -8.455 -2.146 1.00 0.00 H new ATOM 0 HG2 MET B 66 9.581 -9.767 -0.456 1.00 0.00 H new ATOM 0 HG3 MET B 66 10.148 -8.333 0.376 1.00 0.00 H new ATOM 0 HE1 MET B 66 7.289 -6.703 1.915 1.00 0.00 H new ATOM 0 HE2 MET B 66 8.933 -6.565 1.246 1.00 0.00 H new ATOM 0 HE3 MET B 66 7.531 -6.053 0.276 1.00 0.00 H new ATOM 2363 N SER B 67 10.848 -5.621 -3.634 1.00 0.00 N ATOM 2364 CA SER B 67 11.929 -5.172 -4.493 1.00 0.00 C ATOM 2365 C SER B 67 12.369 -3.760 -4.116 1.00 0.00 C ATOM 2366 O SER B 67 13.542 -3.410 -4.258 1.00 0.00 O ATOM 2367 CB SER B 67 11.504 -5.221 -5.964 1.00 0.00 C ATOM 2368 OG SER B 67 12.580 -4.879 -6.826 1.00 0.00 O ATOM 0 H SER B 67 9.920 -5.545 -4.049 1.00 0.00 H new ATOM 0 HA SER B 67 12.775 -5.845 -4.353 1.00 0.00 H new ATOM 0 HB2 SER B 67 11.145 -6.221 -6.207 1.00 0.00 H new ATOM 0 HB3 SER B 67 10.673 -4.535 -6.127 1.00 0.00 H new ATOM 0 HG SER B 67 12.279 -4.921 -7.758 1.00 0.00 H new ATOM 2374 N SER B 68 11.430 -2.946 -3.648 1.00 0.00 N ATOM 2375 CA SER B 68 11.749 -1.596 -3.218 1.00 0.00 C ATOM 2376 C SER B 68 12.285 -1.607 -1.789 1.00 0.00 C ATOM 2377 O SER B 68 13.044 -0.721 -1.391 1.00 0.00 O ATOM 2378 CB SER B 68 10.516 -0.698 -3.340 1.00 0.00 C ATOM 2379 OG SER B 68 9.392 -1.270 -2.695 1.00 0.00 O ATOM 0 H SER B 68 10.446 -3.199 -3.558 1.00 0.00 H new ATOM 0 HA SER B 68 12.527 -1.192 -3.865 1.00 0.00 H new ATOM 0 HB2 SER B 68 10.730 0.277 -2.903 1.00 0.00 H new ATOM 0 HB3 SER B 68 10.288 -0.533 -4.393 1.00 0.00 H new ATOM 0 HG SER B 68 8.808 -0.557 -2.361 1.00 0.00 H new ATOM 2385 N LEU B 69 11.892 -2.623 -1.026 1.00 0.00 N ATOM 2386 CA LEU B 69 12.408 -2.825 0.323 1.00 0.00 C ATOM 2387 C LEU B 69 13.920 -3.021 0.294 1.00 0.00 C ATOM 2388 O LEU B 69 14.416 -4.078 -0.106 1.00 0.00 O ATOM 2389 CB LEU B 69 11.738 -4.039 0.979 1.00 0.00 C ATOM 2390 CG LEU B 69 12.318 -4.447 2.336 1.00 0.00 C ATOM 2391 CD1 LEU B 69 12.066 -3.374 3.382 1.00 0.00 C ATOM 2392 CD2 LEU B 69 11.745 -5.783 2.780 1.00 0.00 C ATOM 0 H LEU B 69 11.213 -3.324 -1.323 1.00 0.00 H new ATOM 0 HA LEU B 69 12.179 -1.936 0.911 1.00 0.00 H new ATOM 0 HB2 LEU B 69 10.677 -3.825 1.105 1.00 0.00 H new ATOM 0 HB3 LEU B 69 11.814 -4.888 0.299 1.00 0.00 H new ATOM 0 HG LEU B 69 13.397 -4.557 2.226 1.00 0.00 H new ATOM 0 HD11 LEU B 69 12.488 -3.690 4.336 1.00 0.00 H new ATOM 0 HD12 LEU B 69 12.536 -2.442 3.068 1.00 0.00 H new ATOM 0 HD13 LEU B 69 10.993 -3.220 3.494 1.00 0.00 H new ATOM 0 HD21 LEU B 69 12.168 -6.057 3.746 1.00 0.00 H new ATOM 0 HD22 LEU B 69 10.662 -5.703 2.868 1.00 0.00 H new ATOM 0 HD23 LEU B 69 11.994 -6.548 2.045 1.00 0.00 H new