USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1063 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 47 THR OG1 : rot -141:sc= 0.314 USER MOD Set 1.2: A 80 TYR OH : rot 180:sc= 0.174 USER MOD Set 2.1: A 54 TYR OH : rot 64:sc= 0.00328 USER MOD Set 2.2: A 58 HIS : no HE2:sc= -7.22! C(o=-7.2!,f=-7.9!) USER MOD Single : A 6 LYS NZ :NH3+ 154:sc= -0.398 (180deg=-1.28!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0.0699 (180deg=0.0699) USER MOD Single : A 34 TYR OH : rot 127:sc= 0.309 USER MOD Single : A 36 SER OG : rot -147:sc= 0.18 USER MOD Single : A 38 SER OG : rot 161:sc= 0.415 USER MOD Single : A 49 GLN : amide:sc= -2.02 K(o=-2,f=-8.3!) USER MOD Single : A 56 LYS NZ :NH3+ -174:sc= 0.591 (180deg=0.571) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -162:sc= -1.24! (180deg=-1.55!) USER MOD Single : A 62 ASN : amide:sc= -4.47 X(o=-4.5,f=-4.1!) USER MOD Single : A 68 CYS SG : rot 41:sc= -0.859 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 159:sc= 0.403 (180deg=0.295) USER MOD Single : A 84 MET CE :methyl -154:sc= -3.58! (180deg=-5.52!) USER MOD Single : A 93 GLN : amide:sc= -1.12 K(o=-1.1,f=-2.5) USER MOD Single : A 94 SER OG : rot -164:sc= 0.0138 USER MOD Single : A 98 GLN : amide:sc= -0.527 K(o=-0.53,f=-2.3) USER MOD Single : A 99 LYS NZ :NH3+ 147:sc= -0.395 (180deg=-1.55!) USER MOD Single : A 101 SER OG : rot 156:sc= 0.133 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HE2:sc= 0.189 K(o=0.19,f=-1.1) USER MOD Single : A 105 ASN : amide:sc= -3.23 K(o=-3.2,f=-3.9) USER MOD Single : A 108 SER OG : rot -22:sc= 0.846 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= -0.281 USER MOD Single : A 124 THR OG1 : rot 180:sc= 0.978 USER MOD Single : A 125 THR OG1 : rot 180:sc= -0.0516 USER MOD Single : A 130 THR OG1 : rot -85:sc= -2.32! USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 21 N LEU A 4 -3.545 12.460 3.881 1.00 0.00 N ATOM 22 CA LEU A 4 -3.754 11.335 2.980 1.00 0.00 C ATOM 23 C LEU A 4 -4.673 11.715 1.821 1.00 0.00 C ATOM 24 O LEU A 4 -4.586 11.142 0.736 1.00 0.00 O ATOM 25 CB LEU A 4 -4.344 10.149 3.748 1.00 0.00 C ATOM 26 CG LEU A 4 -4.035 10.108 5.249 1.00 0.00 C ATOM 27 CD1 LEU A 4 -2.566 10.414 5.521 1.00 0.00 C ATOM 28 CD2 LEU A 4 -4.948 11.058 6.017 1.00 0.00 C ATOM 0 HA LEU A 4 -2.786 11.052 2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.426 10.159 3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.977 9.228 3.295 1.00 0.00 H new ATOM 0 HG LEU A 4 -4.229 9.095 5.603 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -2.379 10.377 6.594 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.941 9.675 5.018 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.326 11.408 5.145 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.710 11.012 7.080 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.800 12.076 5.656 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.987 10.766 5.865 1.00 0.00 H new ATOM 40 N ASP A 5 -5.550 12.685 2.059 1.00 0.00 N ATOM 41 CA ASP A 5 -6.482 13.139 1.033 1.00 0.00 C ATOM 42 C ASP A 5 -5.732 13.619 -0.206 1.00 0.00 C ATOM 43 O ASP A 5 -6.072 13.251 -1.331 1.00 0.00 O ATOM 44 CB ASP A 5 -7.368 14.261 1.575 1.00 0.00 C ATOM 45 CG ASP A 5 -8.651 13.739 2.190 1.00 0.00 C ATOM 46 OD1 ASP A 5 -8.579 12.789 2.998 1.00 0.00 O ATOM 47 OD2 ASP A 5 -9.729 14.279 1.863 1.00 0.00 O ATOM 0 H ASP A 5 -5.635 13.171 2.952 1.00 0.00 H new ATOM 0 HA ASP A 5 -7.112 12.296 0.752 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -6.814 14.828 2.323 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -7.610 14.951 0.767 1.00 0.00 H new ATOM 52 N LYS A 6 -4.707 14.437 0.008 1.00 0.00 N ATOM 53 CA LYS A 6 -3.908 14.959 -1.094 1.00 0.00 C ATOM 54 C LYS A 6 -3.096 13.844 -1.747 1.00 0.00 C ATOM 55 O LYS A 6 -2.744 13.926 -2.923 1.00 0.00 O ATOM 56 CB LYS A 6 -2.975 16.067 -0.599 1.00 0.00 C ATOM 57 CG LYS A 6 -1.918 15.584 0.381 1.00 0.00 C ATOM 58 CD LYS A 6 -0.571 16.237 0.118 1.00 0.00 C ATOM 59 CE LYS A 6 -0.495 17.624 0.735 1.00 0.00 C ATOM 60 NZ LYS A 6 -0.931 17.623 2.159 1.00 0.00 N ATOM 0 H LYS A 6 -4.411 14.752 0.932 1.00 0.00 H new ATOM 0 HA LYS A 6 -4.586 15.376 -1.838 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.481 16.524 -1.457 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.571 16.845 -0.122 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.237 15.805 1.400 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.819 14.501 0.306 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.223 15.612 0.526 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.402 16.306 -0.957 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.528 17.995 0.669 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.121 18.310 0.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.477 18.412 2.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.964 17.731 2.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.656 16.725 2.606 1.00 0.00 H new ATOM 74 N TYR A 7 -2.806 12.800 -0.974 1.00 0.00 N ATOM 75 CA TYR A 7 -2.038 11.667 -1.476 1.00 0.00 C ATOM 76 C TYR A 7 -2.909 10.762 -2.343 1.00 0.00 C ATOM 77 O TYR A 7 -2.656 10.602 -3.536 1.00 0.00 O ATOM 78 CB TYR A 7 -1.453 10.866 -0.312 1.00 0.00 C ATOM 79 CG TYR A 7 -0.192 11.466 0.266 1.00 0.00 C ATOM 80 CD1 TYR A 7 1.058 11.118 -0.232 1.00 0.00 C ATOM 81 CD2 TYR A 7 -0.250 12.380 1.310 1.00 0.00 C ATOM 82 CE1 TYR A 7 2.213 11.664 0.294 1.00 0.00 C ATOM 83 CE2 TYR A 7 0.901 12.931 1.841 1.00 0.00 C ATOM 84 CZ TYR A 7 2.128 12.570 1.330 1.00 0.00 C ATOM 85 OH TYR A 7 3.276 13.116 1.856 1.00 0.00 O ATOM 0 H TYR A 7 -3.092 12.717 0.002 1.00 0.00 H new ATOM 0 HA TYR A 7 -1.223 12.054 -2.088 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -2.202 10.788 0.476 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.240 9.852 -0.651 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.128 10.409 -1.044 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.210 12.665 1.714 1.00 0.00 H new ATOM 0 HE1 TYR A 7 3.177 11.383 -0.104 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.839 13.641 2.652 1.00 0.00 H new ATOM 0 HH TYR A 7 3.042 13.736 2.578 1.00 0.00 H new ATOM 135 N ILE A 11 -10.413 9.353 -2.267 1.00 0.00 N ATOM 136 CA ILE A 11 -11.024 9.362 -3.591 1.00 0.00 C ATOM 137 C ILE A 11 -12.342 8.594 -3.592 1.00 0.00 C ATOM 138 O ILE A 11 -12.383 7.422 -3.963 1.00 0.00 O ATOM 139 CB ILE A 11 -10.080 8.747 -4.647 1.00 0.00 C ATOM 140 CG1 ILE A 11 -8.834 9.618 -4.819 1.00 0.00 C ATOM 141 CG2 ILE A 11 -10.802 8.576 -5.978 1.00 0.00 C ATOM 142 CD1 ILE A 11 -7.765 8.980 -5.681 1.00 0.00 C ATOM 0 HA ILE A 11 -11.215 10.404 -3.847 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.768 7.762 -4.299 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.125 10.571 -5.261 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.415 9.837 -3.837 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.120 8.141 -6.709 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -11.659 7.916 -5.845 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -11.144 9.548 -6.334 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.911 9.653 -5.760 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.446 8.041 -5.229 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.167 8.786 -6.675 1.00 0.00 H new ATOM 154 N GLU A 12 -13.414 9.264 -3.185 1.00 0.00 N ATOM 155 CA GLU A 12 -14.737 8.649 -3.148 1.00 0.00 C ATOM 156 C GLU A 12 -14.735 7.370 -2.312 1.00 0.00 C ATOM 157 O GLU A 12 -15.157 7.375 -1.155 1.00 0.00 O ATOM 158 CB GLU A 12 -15.220 8.348 -4.570 1.00 0.00 C ATOM 159 CG GLU A 12 -16.399 9.203 -5.005 1.00 0.00 C ATOM 160 CD GLU A 12 -16.026 10.662 -5.183 1.00 0.00 C ATOM 161 OE1 GLU A 12 -15.357 10.985 -6.188 1.00 0.00 O ATOM 162 OE2 GLU A 12 -16.404 11.482 -4.319 1.00 0.00 O ATOM 0 H GLU A 12 -13.393 10.236 -2.875 1.00 0.00 H new ATOM 0 HA GLU A 12 -15.421 9.356 -2.678 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.395 8.501 -5.265 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -15.501 7.297 -4.635 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.797 8.816 -5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -17.194 9.123 -4.264 1.00 0.00 H new ATOM 169 N LYS A 13 -14.265 6.275 -2.904 1.00 0.00 N ATOM 170 CA LYS A 13 -14.221 4.989 -2.206 1.00 0.00 C ATOM 171 C LYS A 13 -13.153 4.073 -2.801 1.00 0.00 C ATOM 172 O LYS A 13 -12.644 4.325 -3.892 1.00 0.00 O ATOM 173 CB LYS A 13 -15.586 4.302 -2.280 1.00 0.00 C ATOM 174 CG LYS A 13 -16.516 4.663 -1.131 1.00 0.00 C ATOM 175 CD LYS A 13 -17.860 5.165 -1.634 1.00 0.00 C ATOM 176 CE LYS A 13 -18.807 4.015 -1.934 1.00 0.00 C ATOM 177 NZ LYS A 13 -19.607 4.261 -3.166 1.00 0.00 N ATOM 0 H LYS A 13 -13.911 6.250 -3.860 1.00 0.00 H new ATOM 0 HA LYS A 13 -13.967 5.183 -1.164 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -16.066 4.568 -3.222 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -15.439 3.222 -2.291 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.668 3.789 -0.497 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -16.050 5.429 -0.512 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -18.307 5.821 -0.887 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -17.713 5.761 -2.535 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -18.235 3.095 -2.050 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -19.479 3.868 -1.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -20.240 3.454 -3.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -20.173 5.125 -3.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -18.967 4.376 -3.978 1.00 0.00 H new ATOM 191 N LEU A 14 -12.827 3.007 -2.076 1.00 0.00 N ATOM 192 CA LEU A 14 -11.828 2.047 -2.531 1.00 0.00 C ATOM 193 C LEU A 14 -12.499 0.806 -3.113 1.00 0.00 C ATOM 194 O LEU A 14 -13.697 0.595 -2.928 1.00 0.00 O ATOM 195 CB LEU A 14 -10.900 1.654 -1.381 1.00 0.00 C ATOM 196 CG LEU A 14 -9.853 2.707 -1.008 1.00 0.00 C ATOM 197 CD1 LEU A 14 -9.194 2.363 0.318 1.00 0.00 C ATOM 198 CD2 LEU A 14 -8.808 2.831 -2.107 1.00 0.00 C ATOM 0 H LEU A 14 -13.241 2.787 -1.170 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.234 2.519 -3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.507 1.439 -0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.386 0.730 -1.648 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.357 3.668 -0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.453 3.124 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.951 2.326 1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.705 1.392 0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.072 3.584 -1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.311 1.871 -2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.292 3.127 -3.038 1.00 0.00 H new ATOM 210 N ARG A 15 -11.727 -0.003 -3.831 1.00 0.00 N ATOM 211 CA ARG A 15 -12.254 -1.214 -4.457 1.00 0.00 C ATOM 212 C ARG A 15 -12.184 -2.425 -3.529 1.00 0.00 C ATOM 213 O ARG A 15 -12.592 -3.521 -3.913 1.00 0.00 O ATOM 214 CB ARG A 15 -11.482 -1.515 -5.743 1.00 0.00 C ATOM 215 CG ARG A 15 -12.134 -2.580 -6.610 1.00 0.00 C ATOM 216 CD ARG A 15 -12.650 -2.003 -7.920 1.00 0.00 C ATOM 217 NE ARG A 15 -12.332 -2.861 -9.060 1.00 0.00 N ATOM 218 CZ ARG A 15 -12.410 -2.466 -10.329 1.00 0.00 C ATOM 219 NH1 ARG A 15 -12.795 -1.231 -10.624 1.00 0.00 N ATOM 220 NH2 ARG A 15 -12.102 -3.310 -11.305 1.00 0.00 N ATOM 0 H ARG A 15 -10.733 0.157 -3.995 1.00 0.00 H new ATOM 0 HA ARG A 15 -13.304 -1.028 -4.682 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -11.385 -0.597 -6.322 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -10.473 -1.837 -5.484 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -11.413 -3.370 -6.820 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -12.959 -3.038 -6.064 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -13.730 -1.870 -7.857 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -12.216 -1.016 -8.077 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.033 -3.818 -8.872 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.033 -0.579 -9.877 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.853 -0.934 -11.598 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.806 -4.260 -11.083 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.161 -3.009 -12.278 1.00 0.00 H new ATOM 234 N ARG A 16 -11.669 -2.221 -2.316 1.00 0.00 N ATOM 235 CA ARG A 16 -11.533 -3.295 -1.318 1.00 0.00 C ATOM 236 C ARG A 16 -11.439 -4.681 -1.980 1.00 0.00 C ATOM 237 O ARG A 16 -10.781 -4.835 -3.009 1.00 0.00 O ATOM 238 CB ARG A 16 -12.696 -3.240 -0.322 1.00 0.00 C ATOM 239 CG ARG A 16 -12.324 -3.732 1.070 1.00 0.00 C ATOM 240 CD ARG A 16 -13.536 -3.803 1.983 1.00 0.00 C ATOM 241 NE ARG A 16 -13.439 -4.905 2.937 1.00 0.00 N ATOM 242 CZ ARG A 16 -14.477 -5.404 3.603 1.00 0.00 C ATOM 243 NH1 ARG A 16 -15.692 -4.902 3.424 1.00 0.00 N ATOM 244 NH2 ARG A 16 -14.300 -6.408 4.452 1.00 0.00 N ATOM 0 H ARG A 16 -11.334 -1.313 -1.994 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.600 -3.135 -0.777 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -13.057 -2.214 -0.252 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -13.520 -3.842 -0.704 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.865 -4.718 0.997 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.579 -3.065 1.505 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -13.637 -2.863 2.525 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -14.437 -3.923 1.381 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.520 -5.317 3.102 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -15.834 -4.130 2.773 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -16.484 -5.288 3.937 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.368 -6.797 4.594 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -15.096 -6.790 4.963 1.00 0.00 H new ATOM 258 N GLY A 17 -12.096 -5.685 -1.395 1.00 0.00 N ATOM 259 CA GLY A 17 -12.066 -7.019 -1.962 1.00 0.00 C ATOM 260 C GLY A 17 -13.419 -7.426 -2.509 1.00 0.00 C ATOM 261 O GLY A 17 -14.368 -7.621 -1.750 1.00 0.00 O ATOM 0 H GLY A 17 -12.646 -5.594 -0.541 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.324 -7.059 -2.760 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -11.753 -7.732 -1.199 1.00 0.00 H new ATOM 265 N ASP A 18 -13.513 -7.553 -3.830 1.00 0.00 N ATOM 266 CA ASP A 18 -14.762 -7.933 -4.473 1.00 0.00 C ATOM 267 C ASP A 18 -15.880 -6.938 -4.161 1.00 0.00 C ATOM 268 O ASP A 18 -17.053 -7.206 -4.420 1.00 0.00 O ATOM 269 CB ASP A 18 -15.154 -9.320 -4.004 1.00 0.00 C ATOM 270 CG ASP A 18 -15.972 -10.078 -5.033 1.00 0.00 C ATOM 271 OD1 ASP A 18 -17.193 -9.832 -5.118 1.00 0.00 O ATOM 272 OD2 ASP A 18 -15.389 -10.916 -5.753 1.00 0.00 O ATOM 0 H ASP A 18 -12.737 -7.398 -4.474 1.00 0.00 H new ATOM 0 HA ASP A 18 -14.613 -7.929 -5.553 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.253 -9.888 -3.772 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -15.726 -9.238 -3.080 1.00 0.00 H new ATOM 277 N GLY A 19 -15.507 -5.791 -3.606 1.00 0.00 N ATOM 278 CA GLY A 19 -16.479 -4.769 -3.267 1.00 0.00 C ATOM 279 C GLY A 19 -15.818 -3.467 -2.853 1.00 0.00 C ATOM 280 O GLY A 19 -14.633 -3.447 -2.524 1.00 0.00 O ATOM 0 H GLY A 19 -14.541 -5.550 -3.383 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -17.129 -4.589 -4.124 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -17.113 -5.127 -2.456 1.00 0.00 H new ATOM 284 N GLU A 20 -16.579 -2.379 -2.874 1.00 0.00 N ATOM 285 CA GLU A 20 -16.049 -1.072 -2.504 1.00 0.00 C ATOM 286 C GLU A 20 -16.495 -0.674 -1.098 1.00 0.00 C ATOM 287 O GLU A 20 -17.546 -1.104 -0.625 1.00 0.00 O ATOM 288 CB GLU A 20 -16.490 -0.017 -3.527 1.00 0.00 C ATOM 289 CG GLU A 20 -17.912 0.491 -3.332 1.00 0.00 C ATOM 290 CD GLU A 20 -18.960 -0.544 -3.695 1.00 0.00 C ATOM 291 OE1 GLU A 20 -18.742 -1.293 -4.670 1.00 0.00 O ATOM 292 OE2 GLU A 20 -19.998 -0.605 -3.003 1.00 0.00 O ATOM 0 H GLU A 20 -17.563 -2.376 -3.143 1.00 0.00 H new ATOM 0 HA GLU A 20 -14.961 -1.132 -2.504 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -15.805 0.829 -3.477 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -16.402 -0.440 -4.528 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -18.047 0.789 -2.292 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -18.062 1.382 -3.941 1.00 0.00 H new ATOM 299 N VAL A 21 -15.690 0.155 -0.438 1.00 0.00 N ATOM 300 CA VAL A 21 -16.005 0.615 0.911 1.00 0.00 C ATOM 301 C VAL A 21 -15.665 2.092 1.088 1.00 0.00 C ATOM 302 O VAL A 21 -14.925 2.668 0.292 1.00 0.00 O ATOM 303 CB VAL A 21 -15.257 -0.206 1.978 1.00 0.00 C ATOM 304 CG1 VAL A 21 -15.700 -1.660 1.939 1.00 0.00 C ATOM 305 CG2 VAL A 21 -13.754 -0.092 1.783 1.00 0.00 C ATOM 0 H VAL A 21 -14.816 0.521 -0.815 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.078 0.476 1.045 1.00 0.00 H new ATOM 0 HB VAL A 21 -15.503 0.198 2.960 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -15.161 -2.225 2.700 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -16.771 -1.719 2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -15.486 -2.079 0.956 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -13.243 -0.679 2.546 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -13.486 -0.468 0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -13.454 0.953 1.867 1.00 0.00 H new ATOM 315 N GLU A 22 -16.218 2.696 2.134 1.00 0.00 N ATOM 316 CA GLU A 22 -15.985 4.109 2.418 1.00 0.00 C ATOM 317 C GLU A 22 -14.568 4.351 2.931 1.00 0.00 C ATOM 318 O GLU A 22 -13.947 3.468 3.524 1.00 0.00 O ATOM 319 CB GLU A 22 -17.001 4.615 3.443 1.00 0.00 C ATOM 320 CG GLU A 22 -18.336 5.010 2.833 1.00 0.00 C ATOM 321 CD GLU A 22 -18.431 6.496 2.549 1.00 0.00 C ATOM 322 OE1 GLU A 22 -17.823 7.285 3.304 1.00 0.00 O ATOM 323 OE2 GLU A 22 -19.114 6.872 1.572 1.00 0.00 O ATOM 0 H GLU A 22 -16.832 2.229 2.801 1.00 0.00 H new ATOM 0 HA GLU A 22 -16.105 4.659 1.485 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -17.168 3.839 4.190 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -16.581 5.475 3.965 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -18.485 4.457 1.906 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -19.140 4.721 3.510 1.00 0.00 H new ATOM 330 N VAL A 23 -14.067 5.561 2.699 1.00 0.00 N ATOM 331 CA VAL A 23 -12.728 5.946 3.132 1.00 0.00 C ATOM 332 C VAL A 23 -12.650 6.065 4.654 1.00 0.00 C ATOM 333 O VAL A 23 -11.583 5.898 5.245 1.00 0.00 O ATOM 334 CB VAL A 23 -12.300 7.286 2.496 1.00 0.00 C ATOM 335 CG1 VAL A 23 -10.967 7.753 3.063 1.00 0.00 C ATOM 336 CG2 VAL A 23 -12.227 7.158 0.983 1.00 0.00 C ATOM 0 H VAL A 23 -14.574 6.298 2.209 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.049 5.160 2.801 1.00 0.00 H new ATOM 0 HB VAL A 23 -13.052 8.036 2.741 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.686 8.699 2.600 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -11.058 7.889 4.141 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.201 7.006 2.855 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.924 8.112 0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.499 6.392 0.717 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -13.206 6.878 0.594 1.00 0.00 H new ATOM 346 N LYS A 24 -13.783 6.367 5.277 1.00 0.00 N ATOM 347 CA LYS A 24 -13.847 6.526 6.729 1.00 0.00 C ATOM 348 C LYS A 24 -13.216 5.335 7.446 1.00 0.00 C ATOM 349 O LYS A 24 -12.723 5.467 8.567 1.00 0.00 O ATOM 350 CB LYS A 24 -15.301 6.696 7.177 1.00 0.00 C ATOM 351 CG LYS A 24 -15.507 7.854 8.142 1.00 0.00 C ATOM 352 CD LYS A 24 -15.779 9.153 7.403 1.00 0.00 C ATOM 353 CE LYS A 24 -17.222 9.238 6.934 1.00 0.00 C ATOM 354 NZ LYS A 24 -17.335 9.865 5.589 1.00 0.00 N ATOM 0 H LYS A 24 -14.673 6.507 4.800 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.281 7.419 6.994 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.928 6.849 6.299 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -15.637 5.774 7.651 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -16.341 7.631 8.807 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.622 7.969 8.768 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.558 9.997 8.056 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.112 9.231 6.545 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.653 8.237 6.905 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -17.804 9.815 7.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -18.335 9.904 5.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.947 10.829 5.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.802 9.301 4.897 1.00 0.00 H new ATOM 368 N SER A 25 -13.229 4.176 6.798 1.00 0.00 N ATOM 369 CA SER A 25 -12.651 2.970 7.382 1.00 0.00 C ATOM 370 C SER A 25 -11.158 3.151 7.663 1.00 0.00 C ATOM 371 O SER A 25 -10.564 2.383 8.418 1.00 0.00 O ATOM 372 CB SER A 25 -12.864 1.775 6.451 1.00 0.00 C ATOM 373 OG SER A 25 -14.150 1.210 6.631 1.00 0.00 O ATOM 0 H SER A 25 -13.632 4.045 5.870 1.00 0.00 H new ATOM 0 HA SER A 25 -13.157 2.782 8.329 1.00 0.00 H new ATOM 0 HB2 SER A 25 -12.745 2.092 5.415 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.102 1.020 6.643 1.00 0.00 H new ATOM 0 HG SER A 25 -14.261 0.449 6.023 1.00 0.00 H new ATOM 379 N LEU A 26 -10.558 4.176 7.057 1.00 0.00 N ATOM 380 CA LEU A 26 -9.139 4.459 7.251 1.00 0.00 C ATOM 381 C LEU A 26 -8.961 5.776 7.999 1.00 0.00 C ATOM 382 O LEU A 26 -8.187 6.641 7.588 1.00 0.00 O ATOM 383 CB LEU A 26 -8.409 4.519 5.903 1.00 0.00 C ATOM 384 CG LEU A 26 -8.909 3.544 4.829 1.00 0.00 C ATOM 385 CD1 LEU A 26 -7.874 3.395 3.726 1.00 0.00 C ATOM 386 CD2 LEU A 26 -9.235 2.188 5.440 1.00 0.00 C ATOM 0 H LEU A 26 -11.034 4.823 6.428 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.707 3.653 7.844 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.490 5.533 5.512 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.350 4.328 6.076 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.823 3.951 4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.243 2.700 2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.690 4.366 3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.945 3.012 4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.588 1.513 4.660 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.340 1.772 5.902 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.012 2.307 6.196 1.00 0.00 H new ATOM 398 N ALA A 27 -9.694 5.920 9.098 1.00 0.00 N ATOM 399 CA ALA A 27 -9.643 7.111 9.908 1.00 0.00 C ATOM 400 C ALA A 27 -8.938 6.847 11.221 1.00 0.00 C ATOM 401 O ALA A 27 -9.548 6.484 12.226 1.00 0.00 O ATOM 402 CB ALA A 27 -11.036 7.609 10.161 1.00 0.00 C ATOM 0 H ALA A 27 -10.338 5.208 9.444 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.077 7.871 9.369 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.995 8.510 10.774 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.519 7.838 9.211 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.608 6.841 10.682 1.00 0.00 H new ATOM 408 N GLY A 28 -7.650 7.043 11.179 1.00 0.00 N ATOM 409 CA GLY A 28 -6.808 6.845 12.345 1.00 0.00 C ATOM 410 C GLY A 28 -6.120 5.493 12.356 1.00 0.00 C ATOM 411 O GLY A 28 -6.111 4.802 13.374 1.00 0.00 O ATOM 0 H GLY A 28 -7.148 7.343 10.344 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.053 7.631 12.379 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -7.414 6.946 13.245 1.00 0.00 H new ATOM 415 N LYS A 29 -5.534 5.124 11.222 1.00 0.00 N ATOM 416 CA LYS A 29 -4.831 3.856 11.101 1.00 0.00 C ATOM 417 C LYS A 29 -3.603 4.004 10.205 1.00 0.00 C ATOM 418 O LYS A 29 -3.495 4.964 9.442 1.00 0.00 O ATOM 419 CB LYS A 29 -5.770 2.784 10.550 1.00 0.00 C ATOM 420 CG LYS A 29 -6.169 2.994 9.096 1.00 0.00 C ATOM 421 CD LYS A 29 -6.244 1.675 8.341 1.00 0.00 C ATOM 422 CE LYS A 29 -7.221 0.707 8.993 1.00 0.00 C ATOM 423 NZ LYS A 29 -8.563 0.753 8.351 1.00 0.00 N ATOM 0 H LYS A 29 -5.533 5.688 10.372 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.494 3.550 12.092 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.289 1.811 10.646 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.671 2.756 11.162 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.136 3.495 9.052 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.447 3.651 8.611 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.550 1.862 7.312 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.254 1.221 8.302 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.824 -0.306 8.931 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.317 0.947 10.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.198 0.079 8.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.954 1.713 8.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.476 0.499 7.346 1.00 0.00 H new ATOM 437 N LEU A 30 -2.679 3.053 10.304 1.00 0.00 N ATOM 438 CA LEU A 30 -1.462 3.087 9.503 1.00 0.00 C ATOM 439 C LEU A 30 -1.726 2.559 8.097 1.00 0.00 C ATOM 440 O LEU A 30 -1.721 1.350 7.867 1.00 0.00 O ATOM 441 CB LEU A 30 -0.361 2.265 10.175 1.00 0.00 C ATOM 442 CG LEU A 30 1.037 2.438 9.579 1.00 0.00 C ATOM 443 CD1 LEU A 30 1.602 3.805 9.931 1.00 0.00 C ATOM 444 CD2 LEU A 30 1.962 1.335 10.068 1.00 0.00 C ATOM 0 H LEU A 30 -2.750 2.251 10.930 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.133 4.123 9.427 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.324 2.532 11.231 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.633 1.211 10.122 1.00 0.00 H new ATOM 0 HG LEU A 30 0.961 2.368 8.494 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.597 3.910 9.498 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.949 4.582 9.533 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.665 3.905 11.015 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.953 1.472 9.635 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.032 1.375 11.155 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.565 0.366 9.765 1.00 0.00 H new ATOM 456 N VAL A 31 -1.961 3.473 7.161 1.00 0.00 N ATOM 457 CA VAL A 31 -2.230 3.096 5.780 1.00 0.00 C ATOM 458 C VAL A 31 -0.937 2.927 4.990 1.00 0.00 C ATOM 459 O VAL A 31 -0.179 3.879 4.807 1.00 0.00 O ATOM 460 CB VAL A 31 -3.120 4.134 5.067 1.00 0.00 C ATOM 461 CG1 VAL A 31 -3.691 3.553 3.783 1.00 0.00 C ATOM 462 CG2 VAL A 31 -4.237 4.610 5.987 1.00 0.00 C ATOM 0 H VAL A 31 -1.970 4.478 7.334 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.759 2.143 5.818 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.504 4.995 4.810 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.317 4.299 3.293 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.875 3.269 3.118 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.291 2.673 4.017 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.852 5.342 5.464 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.854 3.760 6.280 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.805 5.069 6.876 1.00 0.00 H new ATOM 472 N PHE A 32 -0.693 1.707 4.526 1.00 0.00 N ATOM 473 CA PHE A 32 0.506 1.404 3.755 1.00 0.00 C ATOM 474 C PHE A 32 0.219 1.490 2.258 1.00 0.00 C ATOM 475 O PHE A 32 -0.922 1.331 1.828 1.00 0.00 O ATOM 476 CB PHE A 32 1.024 0.011 4.112 1.00 0.00 C ATOM 477 CG PHE A 32 1.959 -0.007 5.288 1.00 0.00 C ATOM 478 CD1 PHE A 32 3.283 0.376 5.144 1.00 0.00 C ATOM 479 CD2 PHE A 32 1.514 -0.412 6.535 1.00 0.00 C ATOM 480 CE1 PHE A 32 4.146 0.356 6.223 1.00 0.00 C ATOM 481 CE2 PHE A 32 2.372 -0.434 7.618 1.00 0.00 C ATOM 482 CZ PHE A 32 3.689 -0.050 7.462 1.00 0.00 C ATOM 0 H PHE A 32 -1.312 0.909 4.671 1.00 0.00 H new ATOM 0 HA PHE A 32 1.270 2.140 4.003 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.175 -0.638 4.325 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.536 -0.408 3.246 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.645 0.694 4.177 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.485 -0.714 6.663 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.176 0.657 6.098 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.013 -0.751 8.586 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.361 -0.067 8.307 1.00 0.00 H new ATOM 492 N PHE A 33 1.261 1.740 1.469 1.00 0.00 N ATOM 493 CA PHE A 33 1.112 1.847 0.024 1.00 0.00 C ATOM 494 C PHE A 33 2.280 1.179 -0.694 1.00 0.00 C ATOM 495 O PHE A 33 3.390 1.711 -0.723 1.00 0.00 O ATOM 496 CB PHE A 33 1.026 3.316 -0.394 1.00 0.00 C ATOM 497 CG PHE A 33 0.015 4.110 0.383 1.00 0.00 C ATOM 498 CD1 PHE A 33 -1.295 3.675 0.487 1.00 0.00 C ATOM 499 CD2 PHE A 33 0.377 5.295 1.004 1.00 0.00 C ATOM 500 CE1 PHE A 33 -2.227 4.406 1.200 1.00 0.00 C ATOM 501 CE2 PHE A 33 -0.551 6.029 1.717 1.00 0.00 C ATOM 502 CZ PHE A 33 -1.855 5.585 1.816 1.00 0.00 C ATOM 0 H PHE A 33 2.214 1.872 1.807 1.00 0.00 H new ATOM 0 HA PHE A 33 0.190 1.338 -0.257 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.007 3.776 -0.273 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.778 3.368 -1.454 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.592 2.755 0.006 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.395 5.648 0.930 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.246 4.055 1.275 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.257 6.950 2.197 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.581 6.158 2.373 1.00 0.00 H new ATOM 512 N TYR A 34 2.019 0.018 -1.283 1.00 0.00 N ATOM 513 CA TYR A 34 3.048 -0.713 -2.015 1.00 0.00 C ATOM 514 C TYR A 34 2.784 -0.655 -3.517 1.00 0.00 C ATOM 515 O TYR A 34 1.745 -1.113 -3.994 1.00 0.00 O ATOM 516 CB TYR A 34 3.120 -2.169 -1.536 1.00 0.00 C ATOM 517 CG TYR A 34 2.021 -3.054 -2.080 1.00 0.00 C ATOM 518 CD1 TYR A 34 2.178 -3.724 -3.285 1.00 0.00 C ATOM 519 CD2 TYR A 34 0.830 -3.217 -1.386 1.00 0.00 C ATOM 520 CE1 TYR A 34 1.178 -4.535 -3.785 1.00 0.00 C ATOM 521 CE2 TYR A 34 -0.175 -4.026 -1.878 1.00 0.00 C ATOM 522 CZ TYR A 34 0.004 -4.683 -3.077 1.00 0.00 C ATOM 523 OH TYR A 34 -0.993 -5.489 -3.570 1.00 0.00 O ATOM 0 H TYR A 34 1.106 -0.437 -1.269 1.00 0.00 H new ATOM 0 HA TYR A 34 4.010 -0.239 -1.818 1.00 0.00 H new ATOM 0 HB2 TYR A 34 4.084 -2.587 -1.824 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.078 -2.184 -0.447 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.097 -3.609 -3.841 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.687 -2.703 -0.447 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.315 -5.050 -4.724 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.096 -4.144 -1.327 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.250 -6.145 -2.889 1.00 0.00 H new ATOM 533 N PHE A 35 3.727 -0.082 -4.253 1.00 0.00 N ATOM 534 CA PHE A 35 3.598 0.047 -5.701 1.00 0.00 C ATOM 535 C PHE A 35 4.154 -1.182 -6.417 1.00 0.00 C ATOM 536 O PHE A 35 5.230 -1.674 -6.078 1.00 0.00 O ATOM 537 CB PHE A 35 4.319 1.308 -6.182 1.00 0.00 C ATOM 538 CG PHE A 35 3.751 2.576 -5.611 1.00 0.00 C ATOM 539 CD1 PHE A 35 2.444 2.949 -5.882 1.00 0.00 C ATOM 540 CD2 PHE A 35 4.523 3.394 -4.802 1.00 0.00 C ATOM 541 CE1 PHE A 35 1.919 4.114 -5.357 1.00 0.00 C ATOM 542 CE2 PHE A 35 4.004 4.560 -4.274 1.00 0.00 C ATOM 543 CZ PHE A 35 2.700 4.920 -4.552 1.00 0.00 C ATOM 0 H PHE A 35 4.592 0.302 -3.872 1.00 0.00 H new ATOM 0 HA PHE A 35 2.538 0.126 -5.941 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.373 1.239 -5.915 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.268 1.354 -7.270 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.829 2.322 -6.511 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.543 3.116 -4.582 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.899 4.394 -5.576 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.617 5.189 -3.645 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.291 5.831 -4.140 1.00 0.00 H new ATOM 553 N SER A 36 3.412 -1.674 -7.407 1.00 0.00 N ATOM 554 CA SER A 36 3.828 -2.845 -8.169 1.00 0.00 C ATOM 555 C SER A 36 2.870 -3.102 -9.326 1.00 0.00 C ATOM 556 O SER A 36 1.788 -2.521 -9.386 1.00 0.00 O ATOM 557 CB SER A 36 3.888 -4.071 -7.258 1.00 0.00 C ATOM 558 OG SER A 36 2.797 -4.090 -6.355 1.00 0.00 O ATOM 0 H SER A 36 2.519 -1.278 -7.699 1.00 0.00 H new ATOM 0 HA SER A 36 4.821 -2.655 -8.577 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.879 -4.978 -7.863 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.825 -4.068 -6.701 1.00 0.00 H new ATOM 0 HG SER A 36 3.077 -4.503 -5.512 1.00 0.00 H new ATOM 564 N ALA A 37 3.268 -3.978 -10.244 1.00 0.00 N ATOM 565 CA ALA A 37 2.435 -4.305 -11.394 1.00 0.00 C ATOM 566 C ALA A 37 2.243 -5.810 -11.520 1.00 0.00 C ATOM 567 O ALA A 37 3.043 -6.593 -11.005 1.00 0.00 O ATOM 568 CB ALA A 37 3.047 -3.741 -12.667 1.00 0.00 C ATOM 0 H ALA A 37 4.160 -4.472 -10.213 1.00 0.00 H new ATOM 0 HA ALA A 37 1.456 -3.851 -11.243 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.414 -3.993 -13.518 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.127 -2.657 -12.583 1.00 0.00 H new ATOM 0 HB3 ALA A 37 4.039 -4.168 -12.814 1.00 0.00 H new ATOM 574 N SER A 38 1.183 -6.213 -12.209 1.00 0.00 N ATOM 575 CA SER A 38 0.899 -7.628 -12.403 1.00 0.00 C ATOM 576 C SER A 38 1.934 -8.257 -13.329 1.00 0.00 C ATOM 577 O SER A 38 2.418 -9.360 -13.079 1.00 0.00 O ATOM 578 CB SER A 38 -0.504 -7.815 -12.983 1.00 0.00 C ATOM 579 OG SER A 38 -0.503 -7.627 -14.388 1.00 0.00 O ATOM 0 H SER A 38 0.508 -5.582 -12.641 1.00 0.00 H new ATOM 0 HA SER A 38 0.948 -8.124 -11.434 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.869 -8.815 -12.747 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.191 -7.107 -12.518 1.00 0.00 H new ATOM 0 HG SER A 38 -1.309 -8.030 -14.773 1.00 0.00 H new ATOM 585 N TRP A 39 2.275 -7.540 -14.396 1.00 0.00 N ATOM 586 CA TRP A 39 3.261 -8.022 -15.357 1.00 0.00 C ATOM 587 C TRP A 39 4.644 -8.062 -14.719 1.00 0.00 C ATOM 588 O TRP A 39 5.459 -8.932 -15.028 1.00 0.00 O ATOM 589 CB TRP A 39 3.279 -7.127 -16.598 1.00 0.00 C ATOM 590 CG TRP A 39 3.741 -5.729 -16.319 1.00 0.00 C ATOM 591 CD1 TRP A 39 2.977 -4.683 -15.891 1.00 0.00 C ATOM 592 CD2 TRP A 39 5.075 -5.225 -16.451 1.00 0.00 C ATOM 593 NE1 TRP A 39 3.754 -3.558 -15.748 1.00 0.00 N ATOM 594 CE2 TRP A 39 5.046 -3.866 -16.085 1.00 0.00 C ATOM 595 CE3 TRP A 39 6.293 -5.791 -16.841 1.00 0.00 C ATOM 596 CZ2 TRP A 39 6.185 -3.066 -16.099 1.00 0.00 C ATOM 597 CZ3 TRP A 39 7.423 -4.995 -16.854 1.00 0.00 C ATOM 598 CH2 TRP A 39 7.363 -3.647 -16.484 1.00 0.00 C ATOM 0 H TRP A 39 1.883 -6.624 -14.616 1.00 0.00 H new ATOM 0 HA TRP A 39 2.984 -9.032 -15.660 1.00 0.00 H new ATOM 0 HB2 TRP A 39 3.931 -7.574 -17.349 1.00 0.00 H new ATOM 0 HB3 TRP A 39 2.277 -7.092 -17.026 1.00 0.00 H new ATOM 0 HD1 TRP A 39 1.916 -4.732 -15.693 1.00 0.00 H new ATOM 0 HE1 TRP A 39 3.423 -2.643 -15.441 1.00 0.00 H new ATOM 0 HE3 TRP A 39 6.350 -6.831 -17.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 6.141 -2.025 -15.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 8.369 -5.421 -17.155 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.265 -3.053 -16.503 1.00 0.00 H new ATOM 609 N CYS A 40 4.896 -7.115 -13.819 1.00 0.00 N ATOM 610 CA CYS A 40 6.177 -7.035 -13.117 1.00 0.00 C ATOM 611 C CYS A 40 6.581 -8.414 -12.582 1.00 0.00 C ATOM 612 O CYS A 40 6.017 -8.898 -11.601 1.00 0.00 O ATOM 613 CB CYS A 40 6.080 -6.001 -11.982 1.00 0.00 C ATOM 614 SG CYS A 40 7.230 -6.253 -10.593 1.00 0.00 S ATOM 0 H CYS A 40 4.229 -6.389 -13.557 1.00 0.00 H new ATOM 0 HA CYS A 40 6.951 -6.712 -13.813 1.00 0.00 H new ATOM 0 HB2 CYS A 40 6.255 -5.010 -12.401 1.00 0.00 H new ATOM 0 HB3 CYS A 40 5.062 -6.008 -11.594 1.00 0.00 H new ATOM 619 N PRO A 41 7.559 -9.072 -13.238 1.00 0.00 N ATOM 620 CA PRO A 41 8.027 -10.406 -12.839 1.00 0.00 C ATOM 621 C PRO A 41 8.382 -10.512 -11.355 1.00 0.00 C ATOM 622 O PRO A 41 7.977 -11.463 -10.688 1.00 0.00 O ATOM 623 CB PRO A 41 9.270 -10.623 -13.703 1.00 0.00 C ATOM 624 CG PRO A 41 9.047 -9.772 -14.906 1.00 0.00 C ATOM 625 CD PRO A 41 8.276 -8.572 -14.428 1.00 0.00 C ATOM 0 HA PRO A 41 7.247 -11.154 -12.982 1.00 0.00 H new ATOM 0 HB2 PRO A 41 10.177 -10.330 -13.173 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.385 -11.672 -13.976 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.995 -9.474 -15.354 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.490 -10.315 -15.670 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.938 -7.743 -14.178 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.585 -8.210 -15.189 1.00 0.00 H new ATOM 633 N PRO A 42 9.150 -9.548 -10.811 1.00 0.00 N ATOM 634 CA PRO A 42 9.548 -9.576 -9.400 1.00 0.00 C ATOM 635 C PRO A 42 8.411 -9.216 -8.441 1.00 0.00 C ATOM 636 O PRO A 42 8.627 -9.096 -7.236 1.00 0.00 O ATOM 637 CB PRO A 42 10.666 -8.535 -9.325 1.00 0.00 C ATOM 638 CG PRO A 42 10.382 -7.582 -10.434 1.00 0.00 C ATOM 639 CD PRO A 42 9.700 -8.374 -11.520 1.00 0.00 C ATOM 0 HA PRO A 42 9.851 -10.577 -9.093 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.669 -8.028 -8.360 1.00 0.00 H new ATOM 0 HB3 PRO A 42 11.645 -8.999 -9.444 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.745 -6.767 -10.091 1.00 0.00 H new ATOM 0 HG3 PRO A 42 11.303 -7.132 -10.803 1.00 0.00 H new ATOM 0 HD2 PRO A 42 8.913 -7.794 -12.003 1.00 0.00 H new ATOM 0 HD3 PRO A 42 10.402 -8.671 -12.299 1.00 0.00 H new ATOM 647 N CYS A 43 7.201 -9.050 -8.974 1.00 0.00 N ATOM 648 CA CYS A 43 6.048 -8.714 -8.146 1.00 0.00 C ATOM 649 C CYS A 43 5.199 -9.948 -7.863 1.00 0.00 C ATOM 650 O CYS A 43 3.997 -9.846 -7.619 1.00 0.00 O ATOM 651 CB CYS A 43 5.199 -7.639 -8.825 1.00 0.00 C ATOM 652 SG CYS A 43 6.039 -6.029 -8.967 1.00 0.00 S ATOM 0 H CYS A 43 6.996 -9.142 -9.969 1.00 0.00 H new ATOM 0 HA CYS A 43 6.418 -8.327 -7.197 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.920 -7.983 -9.821 1.00 0.00 H new ATOM 0 HB3 CYS A 43 4.274 -7.509 -8.262 1.00 0.00 H new ATOM 657 N ARG A 44 5.835 -11.116 -7.890 1.00 0.00 N ATOM 658 CA ARG A 44 5.141 -12.370 -7.630 1.00 0.00 C ATOM 659 C ARG A 44 5.569 -12.965 -6.290 1.00 0.00 C ATOM 660 O ARG A 44 5.367 -14.153 -6.035 1.00 0.00 O ATOM 661 CB ARG A 44 5.414 -13.372 -8.755 1.00 0.00 C ATOM 662 CG ARG A 44 5.064 -12.845 -10.136 1.00 0.00 C ATOM 663 CD ARG A 44 4.863 -13.978 -11.130 1.00 0.00 C ATOM 664 NE ARG A 44 5.232 -13.587 -12.488 1.00 0.00 N ATOM 665 CZ ARG A 44 6.487 -13.525 -12.927 1.00 0.00 C ATOM 666 NH1 ARG A 44 7.495 -13.828 -12.119 1.00 0.00 N ATOM 667 NH2 ARG A 44 6.734 -13.161 -14.178 1.00 0.00 N ATOM 0 H ARG A 44 6.830 -11.218 -8.090 1.00 0.00 H new ATOM 0 HA ARG A 44 4.072 -12.161 -7.589 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.468 -13.648 -8.737 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.843 -14.281 -8.567 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.156 -12.245 -10.078 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.859 -12.187 -10.488 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.460 -14.838 -10.825 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.820 -14.293 -11.114 1.00 0.00 H new ATOM 0 HE ARG A 44 4.484 -13.347 -13.138 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.310 -14.110 -11.156 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.455 -13.779 -12.461 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.962 -12.929 -14.803 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.696 -13.113 -14.515 1.00 0.00 H new ATOM 681 N GLY A 45 6.161 -12.133 -5.436 1.00 0.00 N ATOM 682 CA GLY A 45 6.604 -12.598 -4.135 1.00 0.00 C ATOM 683 C GLY A 45 6.509 -11.524 -3.067 1.00 0.00 C ATOM 684 O GLY A 45 7.136 -11.631 -2.013 1.00 0.00 O ATOM 0 H GLY A 45 6.341 -11.147 -5.623 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.002 -13.456 -3.836 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.636 -12.942 -4.208 1.00 0.00 H new ATOM 688 N PHE A 46 5.720 -10.486 -3.337 1.00 0.00 N ATOM 689 CA PHE A 46 5.544 -9.392 -2.390 1.00 0.00 C ATOM 690 C PHE A 46 4.079 -9.258 -1.988 1.00 0.00 C ATOM 691 O PHE A 46 3.762 -9.044 -0.818 1.00 0.00 O ATOM 692 CB PHE A 46 6.042 -8.078 -2.994 1.00 0.00 C ATOM 693 CG PHE A 46 6.270 -6.998 -1.976 1.00 0.00 C ATOM 694 CD1 PHE A 46 6.932 -7.274 -0.791 1.00 0.00 C ATOM 695 CD2 PHE A 46 5.820 -5.708 -2.203 1.00 0.00 C ATOM 696 CE1 PHE A 46 7.141 -6.283 0.150 1.00 0.00 C ATOM 697 CE2 PHE A 46 6.026 -4.712 -1.267 1.00 0.00 C ATOM 698 CZ PHE A 46 6.688 -5.000 -0.089 1.00 0.00 C ATOM 0 H PHE A 46 5.193 -10.381 -4.204 1.00 0.00 H new ATOM 0 HA PHE A 46 6.131 -9.616 -1.499 1.00 0.00 H new ATOM 0 HB2 PHE A 46 6.973 -8.264 -3.530 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.317 -7.727 -3.728 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.289 -8.275 -0.600 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.302 -5.478 -3.122 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.658 -6.511 1.070 1.00 0.00 H new ATOM 0 HE2 PHE A 46 5.670 -3.710 -1.456 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.851 -4.223 0.644 1.00 0.00 H new ATOM 708 N THR A 47 3.190 -9.391 -2.968 1.00 0.00 N ATOM 709 CA THR A 47 1.755 -9.292 -2.724 1.00 0.00 C ATOM 710 C THR A 47 1.315 -10.264 -1.628 1.00 0.00 C ATOM 711 O THR A 47 0.713 -9.857 -0.635 1.00 0.00 O ATOM 712 CB THR A 47 0.975 -9.567 -4.013 1.00 0.00 C ATOM 713 OG1 THR A 47 1.851 -9.944 -5.062 1.00 0.00 O ATOM 714 CG2 THR A 47 0.175 -8.375 -4.493 1.00 0.00 C ATOM 0 H THR A 47 3.439 -9.568 -3.941 1.00 0.00 H new ATOM 0 HA THR A 47 1.541 -8.277 -2.388 1.00 0.00 H new ATOM 0 HB THR A 47 0.286 -10.374 -3.765 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.548 -9.541 -5.902 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.354 -8.637 -5.410 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.546 -8.089 -3.727 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.848 -7.540 -4.688 1.00 0.00 H new ATOM 722 N PRO A 48 1.609 -11.568 -1.793 1.00 0.00 N ATOM 723 CA PRO A 48 1.234 -12.591 -0.809 1.00 0.00 C ATOM 724 C PRO A 48 1.887 -12.365 0.555 1.00 0.00 C ATOM 725 O PRO A 48 1.478 -12.960 1.551 1.00 0.00 O ATOM 726 CB PRO A 48 1.738 -13.901 -1.429 1.00 0.00 C ATOM 727 CG PRO A 48 2.761 -13.490 -2.431 1.00 0.00 C ATOM 728 CD PRO A 48 2.322 -12.150 -2.944 1.00 0.00 C ATOM 0 HA PRO A 48 0.161 -12.581 -0.616 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.169 -14.555 -0.671 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.924 -14.452 -1.900 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.750 -13.429 -1.977 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.827 -14.216 -3.242 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.171 -11.536 -3.245 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.673 -12.245 -3.814 1.00 0.00 H new ATOM 736 N GLN A 49 2.895 -11.499 0.597 1.00 0.00 N ATOM 737 CA GLN A 49 3.587 -11.200 1.845 1.00 0.00 C ATOM 738 C GLN A 49 2.754 -10.248 2.695 1.00 0.00 C ATOM 739 O GLN A 49 2.714 -10.365 3.920 1.00 0.00 O ATOM 740 CB GLN A 49 4.978 -10.608 1.577 1.00 0.00 C ATOM 741 CG GLN A 49 5.686 -11.226 0.380 1.00 0.00 C ATOM 742 CD GLN A 49 5.830 -12.731 0.500 1.00 0.00 C ATOM 743 OE1 GLN A 49 4.910 -13.421 0.937 1.00 0.00 O ATOM 744 NE2 GLN A 49 6.990 -13.246 0.110 1.00 0.00 N ATOM 0 H GLN A 49 3.249 -10.994 -0.215 1.00 0.00 H new ATOM 0 HA GLN A 49 3.720 -12.133 2.393 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.881 -9.534 1.416 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.597 -10.743 2.464 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.131 -10.989 -0.528 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.674 -10.777 0.276 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.725 -12.635 -0.246 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.146 -14.252 0.166 1.00 0.00 H new ATOM 753 N LEU A 50 2.086 -9.308 2.033 1.00 0.00 N ATOM 754 CA LEU A 50 1.250 -8.339 2.718 1.00 0.00 C ATOM 755 C LEU A 50 0.084 -9.019 3.418 1.00 0.00 C ATOM 756 O LEU A 50 -0.186 -8.765 4.591 1.00 0.00 O ATOM 757 CB LEU A 50 0.705 -7.340 1.706 1.00 0.00 C ATOM 758 CG LEU A 50 0.709 -5.886 2.152 1.00 0.00 C ATOM 759 CD1 LEU A 50 0.160 -5.742 3.567 1.00 0.00 C ATOM 760 CD2 LEU A 50 2.114 -5.314 2.054 1.00 0.00 C ATOM 0 H LEU A 50 2.110 -9.200 1.019 1.00 0.00 H new ATOM 0 HA LEU A 50 1.858 -7.831 3.467 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.290 -7.422 0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.318 -7.623 1.458 1.00 0.00 H new ATOM 0 HG LEU A 50 0.055 -5.321 1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.175 -4.692 3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.865 -6.113 3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.776 -6.319 4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.106 -4.273 2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.785 -5.886 2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.459 -5.372 1.022 1.00 0.00 H new ATOM 772 N ILE A 51 -0.610 -9.876 2.682 1.00 0.00 N ATOM 773 CA ILE A 51 -1.763 -10.584 3.232 1.00 0.00 C ATOM 774 C ILE A 51 -1.389 -11.359 4.495 1.00 0.00 C ATOM 775 O ILE A 51 -2.080 -11.276 5.508 1.00 0.00 O ATOM 776 CB ILE A 51 -2.397 -11.557 2.211 1.00 0.00 C ATOM 777 CG1 ILE A 51 -2.733 -10.831 0.906 1.00 0.00 C ATOM 778 CG2 ILE A 51 -3.633 -12.199 2.812 1.00 0.00 C ATOM 779 CD1 ILE A 51 -1.753 -11.148 -0.201 1.00 0.00 C ATOM 0 H ILE A 51 -0.399 -10.098 1.709 1.00 0.00 H new ATOM 0 HA ILE A 51 -2.497 -9.817 3.480 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.677 -12.341 1.976 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.738 -11.108 0.588 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.740 -9.756 1.084 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.076 -12.884 2.089 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.356 -12.750 3.711 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.356 -11.425 3.069 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.037 -10.608 -1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.751 -10.846 0.103 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.764 -12.219 -0.401 1.00 0.00 H new ATOM 791 N GLU A 52 -0.296 -12.112 4.430 1.00 0.00 N ATOM 792 CA GLU A 52 0.156 -12.897 5.570 1.00 0.00 C ATOM 793 C GLU A 52 0.532 -11.989 6.732 1.00 0.00 C ATOM 794 O GLU A 52 0.062 -12.179 7.852 1.00 0.00 O ATOM 795 CB GLU A 52 1.351 -13.768 5.178 1.00 0.00 C ATOM 796 CG GLU A 52 0.957 -15.135 4.640 1.00 0.00 C ATOM 797 CD GLU A 52 0.436 -16.059 5.723 1.00 0.00 C ATOM 798 OE1 GLU A 52 0.777 -15.840 6.904 1.00 0.00 O ATOM 799 OE2 GLU A 52 -0.312 -17.002 5.390 1.00 0.00 O ATOM 0 H GLU A 52 0.292 -12.194 3.600 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.663 -13.543 5.885 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.939 -13.245 4.423 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.994 -13.901 6.048 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.192 -15.013 3.873 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.820 -15.595 4.159 1.00 0.00 H new ATOM 806 N PHE A 53 1.371 -10.995 6.455 1.00 0.00 N ATOM 807 CA PHE A 53 1.800 -10.047 7.478 1.00 0.00 C ATOM 808 C PHE A 53 0.611 -9.239 7.988 1.00 0.00 C ATOM 809 O PHE A 53 0.604 -8.772 9.127 1.00 0.00 O ATOM 810 CB PHE A 53 2.874 -9.107 6.923 1.00 0.00 C ATOM 811 CG PHE A 53 3.334 -8.075 7.913 1.00 0.00 C ATOM 812 CD1 PHE A 53 4.262 -8.397 8.890 1.00 0.00 C ATOM 813 CD2 PHE A 53 2.835 -6.783 7.868 1.00 0.00 C ATOM 814 CE1 PHE A 53 4.684 -7.450 9.804 1.00 0.00 C ATOM 815 CE2 PHE A 53 3.254 -5.831 8.779 1.00 0.00 C ATOM 816 CZ PHE A 53 4.179 -6.166 9.749 1.00 0.00 C ATOM 0 H PHE A 53 1.767 -10.825 5.531 1.00 0.00 H new ATOM 0 HA PHE A 53 2.224 -10.610 8.309 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.731 -9.698 6.600 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.483 -8.603 6.039 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.660 -9.400 8.938 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.110 -6.517 7.113 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.408 -7.714 10.561 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.859 -4.827 8.732 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.507 -5.425 10.463 1.00 0.00 H new ATOM 826 N TYR A 54 -0.389 -9.074 7.132 1.00 0.00 N ATOM 827 CA TYR A 54 -1.585 -8.322 7.481 1.00 0.00 C ATOM 828 C TYR A 54 -2.561 -9.176 8.294 1.00 0.00 C ATOM 829 O TYR A 54 -2.884 -8.851 9.434 1.00 0.00 O ATOM 830 CB TYR A 54 -2.259 -7.811 6.202 1.00 0.00 C ATOM 831 CG TYR A 54 -3.660 -7.273 6.404 1.00 0.00 C ATOM 832 CD1 TYR A 54 -3.877 -6.080 7.081 1.00 0.00 C ATOM 833 CD2 TYR A 54 -4.763 -7.957 5.910 1.00 0.00 C ATOM 834 CE1 TYR A 54 -5.154 -5.586 7.263 1.00 0.00 C ATOM 835 CE2 TYR A 54 -6.043 -7.469 6.086 1.00 0.00 C ATOM 836 CZ TYR A 54 -6.233 -6.283 6.763 1.00 0.00 C ATOM 837 OH TYR A 54 -7.506 -5.793 6.941 1.00 0.00 O ATOM 0 H TYR A 54 -0.394 -9.454 6.185 1.00 0.00 H new ATOM 0 HA TYR A 54 -1.293 -7.475 8.101 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -1.640 -7.025 5.769 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -2.296 -8.623 5.476 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.034 -5.530 7.471 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -4.617 -8.886 5.379 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -5.306 -4.658 7.794 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -6.890 -8.013 5.696 1.00 0.00 H new ATOM 0 HH TYR A 54 -7.595 -4.936 6.474 1.00 0.00 H new ATOM 847 N ASP A 55 -3.034 -10.262 7.693 1.00 0.00 N ATOM 848 CA ASP A 55 -3.991 -11.153 8.347 1.00 0.00 C ATOM 849 C ASP A 55 -3.490 -11.673 9.697 1.00 0.00 C ATOM 850 O ASP A 55 -4.290 -12.037 10.559 1.00 0.00 O ATOM 851 CB ASP A 55 -4.314 -12.335 7.432 1.00 0.00 C ATOM 852 CG ASP A 55 -5.671 -12.941 7.727 1.00 0.00 C ATOM 853 OD1 ASP A 55 -6.008 -13.086 8.921 1.00 0.00 O ATOM 854 OD2 ASP A 55 -6.397 -13.271 6.766 1.00 0.00 O ATOM 0 H ASP A 55 -2.770 -10.549 6.750 1.00 0.00 H new ATOM 0 HA ASP A 55 -4.890 -10.566 8.538 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.285 -12.005 6.393 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.545 -13.099 7.546 1.00 0.00 H new ATOM 859 N LYS A 56 -2.174 -11.743 9.869 1.00 0.00 N ATOM 860 CA LYS A 56 -1.596 -12.263 11.110 1.00 0.00 C ATOM 861 C LYS A 56 -1.964 -11.441 12.345 1.00 0.00 C ATOM 862 O LYS A 56 -2.288 -12.005 13.391 1.00 0.00 O ATOM 863 CB LYS A 56 -0.072 -12.352 11.006 1.00 0.00 C ATOM 864 CG LYS A 56 0.605 -11.070 10.554 1.00 0.00 C ATOM 865 CD LYS A 56 1.980 -10.913 11.187 1.00 0.00 C ATOM 866 CE LYS A 56 1.997 -9.795 12.218 1.00 0.00 C ATOM 867 NZ LYS A 56 3.348 -9.186 12.354 1.00 0.00 N ATOM 0 H LYS A 56 -1.489 -11.449 9.172 1.00 0.00 H new ATOM 0 HA LYS A 56 -2.025 -13.257 11.238 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.330 -12.637 11.978 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.186 -13.149 10.309 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.701 -11.071 9.468 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.018 -10.216 10.818 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.272 -11.850 11.661 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.717 -10.705 10.411 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.279 -9.026 11.932 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.676 -10.187 13.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.342 -8.500 13.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.046 -9.931 12.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.601 -8.701 11.469 1.00 0.00 H new ATOM 881 N PHE A 57 -1.876 -10.121 12.248 1.00 0.00 N ATOM 882 CA PHE A 57 -2.164 -9.262 13.394 1.00 0.00 C ATOM 883 C PHE A 57 -3.072 -8.089 13.038 1.00 0.00 C ATOM 884 O PHE A 57 -3.333 -7.232 13.881 1.00 0.00 O ATOM 885 CB PHE A 57 -0.858 -8.739 13.997 1.00 0.00 C ATOM 886 CG PHE A 57 -0.763 -8.936 15.484 1.00 0.00 C ATOM 887 CD1 PHE A 57 -0.634 -10.207 16.020 1.00 0.00 C ATOM 888 CD2 PHE A 57 -0.801 -7.851 16.343 1.00 0.00 C ATOM 889 CE1 PHE A 57 -0.545 -10.392 17.387 1.00 0.00 C ATOM 890 CE2 PHE A 57 -0.713 -8.029 17.711 1.00 0.00 C ATOM 891 CZ PHE A 57 -0.585 -9.301 18.233 1.00 0.00 C ATOM 0 H PHE A 57 -1.611 -9.624 11.398 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.696 -9.873 14.123 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.018 -9.242 13.517 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.763 -7.677 13.772 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.603 -11.063 15.362 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.901 -6.854 15.940 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.444 -11.388 17.793 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.744 -7.174 18.371 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.516 -9.443 19.301 1.00 0.00 H new ATOM 901 N HIS A 58 -3.540 -8.030 11.796 1.00 0.00 N ATOM 902 CA HIS A 58 -4.397 -6.928 11.370 1.00 0.00 C ATOM 903 C HIS A 58 -5.547 -6.702 12.351 1.00 0.00 C ATOM 904 O HIS A 58 -6.067 -5.593 12.465 1.00 0.00 O ATOM 905 CB HIS A 58 -4.972 -7.191 9.978 1.00 0.00 C ATOM 906 CG HIS A 58 -5.744 -8.472 9.886 1.00 0.00 C ATOM 907 ND1 HIS A 58 -6.748 -8.683 8.964 1.00 0.00 N ATOM 908 CD2 HIS A 58 -5.659 -9.613 10.613 1.00 0.00 C ATOM 909 CE1 HIS A 58 -7.246 -9.895 9.127 1.00 0.00 C ATOM 910 NE2 HIS A 58 -6.602 -10.481 10.120 1.00 0.00 N ATOM 0 H HIS A 58 -3.344 -8.723 11.074 1.00 0.00 H new ATOM 0 HA HIS A 58 -3.775 -6.033 11.343 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -5.623 -6.362 9.699 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -4.157 -7.214 9.255 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -7.058 -8.008 8.265 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -4.977 -9.804 11.428 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -8.045 -10.333 8.547 1.00 0.00 H new ATOM 919 N GLU A 59 -5.938 -7.757 13.059 1.00 0.00 N ATOM 920 CA GLU A 59 -7.024 -7.664 14.027 1.00 0.00 C ATOM 921 C GLU A 59 -6.652 -6.737 15.181 1.00 0.00 C ATOM 922 O GLU A 59 -7.411 -5.837 15.536 1.00 0.00 O ATOM 923 CB GLU A 59 -7.377 -9.051 14.566 1.00 0.00 C ATOM 924 CG GLU A 59 -7.570 -10.095 13.478 1.00 0.00 C ATOM 925 CD GLU A 59 -6.384 -11.032 13.351 1.00 0.00 C ATOM 926 OE1 GLU A 59 -5.270 -10.636 13.753 1.00 0.00 O ATOM 927 OE2 GLU A 59 -6.571 -12.161 12.849 1.00 0.00 O ATOM 0 H GLU A 59 -5.520 -8.684 12.981 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.893 -7.247 13.517 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.587 -9.382 15.240 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.290 -8.981 15.157 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.466 -10.677 13.693 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.736 -9.594 12.524 1.00 0.00 H new ATOM 934 N SER A 60 -5.477 -6.964 15.761 1.00 0.00 N ATOM 935 CA SER A 60 -5.005 -6.149 16.874 1.00 0.00 C ATOM 936 C SER A 60 -4.265 -4.914 16.371 1.00 0.00 C ATOM 937 O SER A 60 -4.259 -3.871 17.025 1.00 0.00 O ATOM 938 CB SER A 60 -4.090 -6.972 17.784 1.00 0.00 C ATOM 939 OG SER A 60 -4.824 -7.579 18.832 1.00 0.00 O ATOM 0 H SER A 60 -4.835 -7.705 15.479 1.00 0.00 H new ATOM 0 HA SER A 60 -5.874 -5.821 17.445 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.585 -7.740 17.198 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.316 -6.329 18.203 1.00 0.00 H new ATOM 0 HG SER A 60 -4.217 -8.100 19.398 1.00 0.00 H new ATOM 945 N LYS A 61 -3.639 -5.039 15.205 1.00 0.00 N ATOM 946 CA LYS A 61 -2.894 -3.935 14.614 1.00 0.00 C ATOM 947 C LYS A 61 -3.837 -2.863 14.073 1.00 0.00 C ATOM 948 O LYS A 61 -3.463 -1.697 13.964 1.00 0.00 O ATOM 949 CB LYS A 61 -1.989 -4.448 13.491 1.00 0.00 C ATOM 950 CG LYS A 61 -0.568 -4.755 13.946 1.00 0.00 C ATOM 951 CD LYS A 61 0.441 -4.590 12.817 1.00 0.00 C ATOM 952 CE LYS A 61 0.012 -5.376 11.553 1.00 0.00 C ATOM 953 NZ LYS A 61 1.010 -5.241 10.456 1.00 0.00 N ATOM 0 H LYS A 61 -3.633 -5.895 14.651 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.279 -3.488 15.395 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.428 -5.350 13.065 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.954 -3.704 12.695 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.301 -4.094 14.771 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.522 -5.775 14.327 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.545 -3.533 12.572 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.419 -4.938 13.148 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.113 -6.429 11.804 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.957 -5.013 11.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.570 -5.507 9.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.338 -4.255 10.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.820 -5.866 10.644 1.00 0.00 H new ATOM 967 N ASN A 62 -5.063 -3.264 13.743 1.00 0.00 N ATOM 968 CA ASN A 62 -6.066 -2.342 13.221 1.00 0.00 C ATOM 969 C ASN A 62 -5.478 -1.395 12.172 1.00 0.00 C ATOM 970 O ASN A 62 -5.629 -0.176 12.263 1.00 0.00 O ATOM 971 CB ASN A 62 -6.689 -1.551 14.371 1.00 0.00 C ATOM 972 CG ASN A 62 -5.726 -0.556 14.992 1.00 0.00 C ATOM 973 OD1 ASN A 62 -5.684 0.611 14.604 1.00 0.00 O ATOM 974 ND2 ASN A 62 -4.947 -1.016 15.965 1.00 0.00 N ATOM 0 H ASN A 62 -5.386 -4.228 13.829 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.839 -2.929 12.726 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -7.568 -1.019 14.006 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -7.032 -2.245 15.139 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.281 -0.394 16.422 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.015 -1.992 16.255 1.00 0.00 H new ATOM 981 N PHE A 63 -4.818 -1.969 11.170 1.00 0.00 N ATOM 982 CA PHE A 63 -4.216 -1.187 10.094 1.00 0.00 C ATOM 983 C PHE A 63 -4.743 -1.657 8.743 1.00 0.00 C ATOM 984 O PHE A 63 -5.433 -2.672 8.662 1.00 0.00 O ATOM 985 CB PHE A 63 -2.689 -1.287 10.136 1.00 0.00 C ATOM 986 CG PHE A 63 -2.091 -0.874 11.453 1.00 0.00 C ATOM 987 CD1 PHE A 63 -2.632 0.176 12.177 1.00 0.00 C ATOM 988 CD2 PHE A 63 -0.986 -1.535 11.963 1.00 0.00 C ATOM 989 CE1 PHE A 63 -2.082 0.560 13.387 1.00 0.00 C ATOM 990 CE2 PHE A 63 -0.432 -1.158 13.172 1.00 0.00 C ATOM 991 CZ PHE A 63 -0.981 -0.109 13.884 1.00 0.00 C ATOM 0 H PHE A 63 -4.686 -2.976 11.081 1.00 0.00 H new ATOM 0 HA PHE A 63 -4.491 -0.142 10.234 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -2.395 -2.314 9.920 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -2.271 -0.663 9.346 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -3.494 0.701 11.792 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.552 -2.355 11.410 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -2.513 1.381 13.941 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.429 -1.683 13.559 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.549 0.188 14.829 1.00 0.00 H new ATOM 1001 N GLU A 64 -4.428 -0.917 7.683 1.00 0.00 N ATOM 1002 CA GLU A 64 -4.886 -1.273 6.356 1.00 0.00 C ATOM 1003 C GLU A 64 -3.824 -0.969 5.306 1.00 0.00 C ATOM 1004 O GLU A 64 -3.143 0.053 5.361 1.00 0.00 O ATOM 1005 CB GLU A 64 -6.173 -0.522 6.015 1.00 0.00 C ATOM 1006 CG GLU A 64 -6.932 -1.119 4.843 1.00 0.00 C ATOM 1007 CD GLU A 64 -7.220 -2.597 5.025 1.00 0.00 C ATOM 1008 OE1 GLU A 64 -6.322 -3.416 4.744 1.00 0.00 O ATOM 1009 OE2 GLU A 64 -8.346 -2.933 5.452 1.00 0.00 O ATOM 0 H GLU A 64 -3.859 -0.071 7.723 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.082 -2.345 6.351 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.822 -0.513 6.891 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.929 0.516 5.789 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.872 -0.583 4.713 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.354 -0.975 3.930 1.00 0.00 H new ATOM 1016 N VAL A 65 -3.712 -1.870 4.350 1.00 0.00 N ATOM 1017 CA VAL A 65 -2.760 -1.741 3.252 1.00 0.00 C ATOM 1018 C VAL A 65 -3.512 -1.571 1.935 1.00 0.00 C ATOM 1019 O VAL A 65 -4.435 -2.325 1.644 1.00 0.00 O ATOM 1020 CB VAL A 65 -1.844 -2.984 3.169 1.00 0.00 C ATOM 1021 CG1 VAL A 65 -0.858 -2.874 2.009 1.00 0.00 C ATOM 1022 CG2 VAL A 65 -1.111 -3.195 4.486 1.00 0.00 C ATOM 0 H VAL A 65 -4.279 -2.717 4.308 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.139 -0.864 3.436 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.475 -3.853 2.982 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.230 -3.764 1.980 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.407 -2.787 1.072 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.232 -1.992 2.146 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.471 -4.074 4.409 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.500 -2.320 4.707 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.836 -3.343 5.286 1.00 0.00 H new ATOM 1032 N VAL A 66 -3.136 -0.571 1.147 1.00 0.00 N ATOM 1033 CA VAL A 66 -3.811 -0.327 -0.124 1.00 0.00 C ATOM 1034 C VAL A 66 -3.008 -0.879 -1.302 1.00 0.00 C ATOM 1035 O VAL A 66 -1.783 -0.756 -1.335 1.00 0.00 O ATOM 1036 CB VAL A 66 -4.063 1.177 -0.347 1.00 0.00 C ATOM 1037 CG1 VAL A 66 -4.936 1.397 -1.572 1.00 0.00 C ATOM 1038 CG2 VAL A 66 -4.695 1.801 0.887 1.00 0.00 C ATOM 0 H VAL A 66 -2.378 0.077 1.360 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.768 -0.847 -0.072 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.104 1.665 -0.522 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.103 2.465 -1.713 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.438 0.988 -2.451 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.894 0.896 -1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.866 2.863 0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.646 1.311 1.096 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.027 1.677 1.740 1.00 0.00 H new ATOM 1048 N PHE A 67 -3.696 -1.488 -2.273 1.00 0.00 N ATOM 1049 CA PHE A 67 -3.027 -2.049 -3.442 1.00 0.00 C ATOM 1050 C PHE A 67 -2.726 -0.962 -4.473 1.00 0.00 C ATOM 1051 O PHE A 67 -3.632 -0.437 -5.119 1.00 0.00 O ATOM 1052 CB PHE A 67 -3.889 -3.155 -4.060 1.00 0.00 C ATOM 1053 CG PHE A 67 -3.682 -3.369 -5.536 1.00 0.00 C ATOM 1054 CD1 PHE A 67 -4.435 -2.666 -6.464 1.00 0.00 C ATOM 1055 CD2 PHE A 67 -2.742 -4.276 -5.992 1.00 0.00 C ATOM 1056 CE1 PHE A 67 -4.252 -2.866 -7.819 1.00 0.00 C ATOM 1057 CE2 PHE A 67 -2.554 -4.480 -7.345 1.00 0.00 C ATOM 1058 CZ PHE A 67 -3.310 -3.775 -8.259 1.00 0.00 C ATOM 0 H PHE A 67 -4.710 -1.603 -2.270 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.078 -2.480 -3.123 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.683 -4.090 -3.539 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.939 -2.918 -3.886 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.173 -1.954 -6.124 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.148 -4.831 -5.281 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.844 -2.313 -8.533 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -1.816 -5.191 -7.687 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.165 -3.934 -9.317 1.00 0.00 H new ATOM 1068 N CYS A 68 -1.447 -0.639 -4.627 1.00 0.00 N ATOM 1069 CA CYS A 68 -1.024 0.373 -5.587 1.00 0.00 C ATOM 1070 C CYS A 68 -0.436 -0.294 -6.825 1.00 0.00 C ATOM 1071 O CYS A 68 0.663 -0.846 -6.780 1.00 0.00 O ATOM 1072 CB CYS A 68 0.005 1.313 -4.957 1.00 0.00 C ATOM 1073 SG CYS A 68 -0.407 1.842 -3.278 1.00 0.00 S ATOM 0 H CYS A 68 -0.685 -1.064 -4.099 1.00 0.00 H new ATOM 0 HA CYS A 68 -1.895 0.959 -5.880 1.00 0.00 H new ATOM 0 HB2 CYS A 68 0.974 0.815 -4.942 1.00 0.00 H new ATOM 0 HB3 CYS A 68 0.110 2.195 -5.589 1.00 0.00 H new ATOM 0 HG CYS A 68 -0.890 0.835 -2.612 1.00 0.00 H new ATOM 1079 N THR A 69 -1.181 -0.257 -7.924 1.00 0.00 N ATOM 1080 CA THR A 69 -0.735 -0.881 -9.162 1.00 0.00 C ATOM 1081 C THR A 69 0.202 0.031 -9.953 1.00 0.00 C ATOM 1082 O THR A 69 0.227 1.244 -9.757 1.00 0.00 O ATOM 1083 CB THR A 69 -1.939 -1.282 -10.023 1.00 0.00 C ATOM 1084 OG1 THR A 69 -1.563 -2.252 -10.985 1.00 0.00 O ATOM 1085 CG2 THR A 69 -2.579 -0.127 -10.765 1.00 0.00 C ATOM 0 H THR A 69 -2.093 0.197 -7.982 1.00 0.00 H new ATOM 0 HA THR A 69 -0.174 -1.776 -8.894 1.00 0.00 H new ATOM 0 HB THR A 69 -2.669 -1.677 -9.317 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.344 -2.498 -11.524 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.422 -0.493 -11.350 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.930 0.616 -10.049 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.846 0.329 -11.431 1.00 0.00 H new ATOM 1093 N TRP A 70 0.960 -0.580 -10.855 1.00 0.00 N ATOM 1094 CA TRP A 70 1.902 0.145 -11.702 1.00 0.00 C ATOM 1095 C TRP A 70 1.958 -0.492 -13.090 1.00 0.00 C ATOM 1096 O TRP A 70 3.022 -0.601 -13.697 1.00 0.00 O ATOM 1097 CB TRP A 70 3.295 0.147 -11.066 1.00 0.00 C ATOM 1098 CG TRP A 70 3.753 1.507 -10.644 1.00 0.00 C ATOM 1099 CD1 TRP A 70 3.476 2.136 -9.464 1.00 0.00 C ATOM 1100 CD2 TRP A 70 4.570 2.411 -11.398 1.00 0.00 C ATOM 1101 NE1 TRP A 70 4.073 3.373 -9.437 1.00 0.00 N ATOM 1102 CE2 TRP A 70 4.749 3.565 -10.613 1.00 0.00 C ATOM 1103 CE3 TRP A 70 5.169 2.354 -12.660 1.00 0.00 C ATOM 1104 CZ2 TRP A 70 5.501 4.653 -11.050 1.00 0.00 C ATOM 1105 CZ3 TRP A 70 5.914 3.436 -13.092 1.00 0.00 C ATOM 1106 CH2 TRP A 70 6.075 4.571 -12.288 1.00 0.00 C ATOM 0 H TRP A 70 0.941 -1.586 -11.020 1.00 0.00 H new ATOM 0 HA TRP A 70 1.562 1.176 -11.801 1.00 0.00 H new ATOM 0 HB2 TRP A 70 3.291 -0.513 -10.198 1.00 0.00 H new ATOM 0 HB3 TRP A 70 4.011 -0.265 -11.777 1.00 0.00 H new ATOM 0 HD1 TRP A 70 2.875 1.721 -8.668 1.00 0.00 H new ATOM 0 HE1 TRP A 70 4.021 4.040 -8.667 1.00 0.00 H new ATOM 0 HE3 TRP A 70 5.052 1.481 -13.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 5.626 5.530 -10.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 6.380 3.405 -14.066 1.00 0.00 H new ATOM 0 HH2 TRP A 70 6.665 5.399 -12.653 1.00 0.00 H new ATOM 1117 N ASP A 71 0.798 -0.921 -13.574 1.00 0.00 N ATOM 1118 CA ASP A 71 0.693 -1.563 -14.878 1.00 0.00 C ATOM 1119 C ASP A 71 0.701 -0.535 -16.005 1.00 0.00 C ATOM 1120 O ASP A 71 0.498 0.658 -15.776 1.00 0.00 O ATOM 1121 CB ASP A 71 -0.585 -2.405 -14.943 1.00 0.00 C ATOM 1122 CG ASP A 71 -1.842 -1.556 -14.997 1.00 0.00 C ATOM 1123 OD1 ASP A 71 -1.763 -0.356 -14.655 1.00 0.00 O ATOM 1124 OD2 ASP A 71 -2.903 -2.091 -15.380 1.00 0.00 O ATOM 0 H ASP A 71 -0.089 -0.835 -13.078 1.00 0.00 H new ATOM 0 HA ASP A 71 1.560 -2.210 -15.008 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.547 -3.048 -15.822 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.630 -3.059 -14.072 1.00 0.00 H new ATOM 1129 N GLU A 72 0.928 -1.012 -17.224 1.00 0.00 N ATOM 1130 CA GLU A 72 0.954 -0.145 -18.394 1.00 0.00 C ATOM 1131 C GLU A 72 -0.292 -0.361 -19.249 1.00 0.00 C ATOM 1132 O GLU A 72 -0.744 0.547 -19.947 1.00 0.00 O ATOM 1133 CB GLU A 72 2.211 -0.408 -19.225 1.00 0.00 C ATOM 1134 CG GLU A 72 2.320 -1.839 -19.725 1.00 0.00 C ATOM 1135 CD GLU A 72 3.642 -2.117 -20.414 1.00 0.00 C ATOM 1136 OE1 GLU A 72 3.761 -1.805 -21.617 1.00 0.00 O ATOM 1137 OE2 GLU A 72 4.559 -2.645 -19.749 1.00 0.00 O ATOM 0 H GLU A 72 1.097 -1.997 -17.427 1.00 0.00 H new ATOM 0 HA GLU A 72 0.968 0.890 -18.052 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.220 0.269 -20.080 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.090 -0.174 -18.624 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.201 -2.523 -18.885 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.504 -2.041 -20.418 1.00 0.00 H new ATOM 1144 N GLU A 73 -0.841 -1.572 -19.188 1.00 0.00 N ATOM 1145 CA GLU A 73 -2.035 -1.911 -19.953 1.00 0.00 C ATOM 1146 C GLU A 73 -3.161 -2.362 -19.030 1.00 0.00 C ATOM 1147 O GLU A 73 -2.946 -2.608 -17.843 1.00 0.00 O ATOM 1148 CB GLU A 73 -1.718 -3.012 -20.967 1.00 0.00 C ATOM 1149 CG GLU A 73 -2.436 -2.843 -22.296 1.00 0.00 C ATOM 1150 CD GLU A 73 -1.518 -2.342 -23.393 1.00 0.00 C ATOM 1151 OE1 GLU A 73 -0.321 -2.695 -23.375 1.00 0.00 O ATOM 1152 OE2 GLU A 73 -1.999 -1.596 -24.273 1.00 0.00 O ATOM 0 H GLU A 73 -0.477 -2.334 -18.616 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.363 -1.018 -20.486 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.643 -3.031 -21.145 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.988 -3.977 -20.538 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.868 -3.798 -22.596 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.263 -2.144 -22.172 1.00 0.00 H new ATOM 1159 N GLU A 74 -4.364 -2.469 -19.583 1.00 0.00 N ATOM 1160 CA GLU A 74 -5.529 -2.893 -18.818 1.00 0.00 C ATOM 1161 C GLU A 74 -5.459 -4.384 -18.516 1.00 0.00 C ATOM 1162 O GLU A 74 -5.777 -4.830 -17.413 1.00 0.00 O ATOM 1163 CB GLU A 74 -6.806 -2.551 -19.598 1.00 0.00 C ATOM 1164 CG GLU A 74 -7.421 -3.711 -20.372 1.00 0.00 C ATOM 1165 CD GLU A 74 -8.214 -4.653 -19.489 1.00 0.00 C ATOM 1166 OE1 GLU A 74 -8.597 -4.242 -18.373 1.00 0.00 O ATOM 1167 OE2 GLU A 74 -8.454 -5.804 -19.912 1.00 0.00 O ATOM 0 H GLU A 74 -4.558 -2.267 -20.564 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.545 -2.363 -17.866 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.549 -2.167 -18.899 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.581 -1.746 -20.298 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.073 -3.316 -21.152 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.629 -4.269 -20.871 1.00 0.00 H new ATOM 1174 N ASP A 75 -5.047 -5.141 -19.520 1.00 0.00 N ATOM 1175 CA ASP A 75 -4.933 -6.592 -19.401 1.00 0.00 C ATOM 1176 C ASP A 75 -4.037 -6.993 -18.230 1.00 0.00 C ATOM 1177 O ASP A 75 -4.126 -8.114 -17.730 1.00 0.00 O ATOM 1178 CB ASP A 75 -4.383 -7.184 -20.699 1.00 0.00 C ATOM 1179 CG ASP A 75 -4.970 -8.548 -21.007 1.00 0.00 C ATOM 1180 OD1 ASP A 75 -4.394 -9.559 -20.554 1.00 0.00 O ATOM 1181 OD2 ASP A 75 -6.007 -8.604 -21.702 1.00 0.00 O ATOM 0 H ASP A 75 -4.783 -4.774 -20.435 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.931 -6.988 -19.212 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.597 -6.505 -21.524 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.299 -7.266 -20.627 1.00 0.00 H new ATOM 1186 N GLY A 76 -3.174 -6.078 -17.797 1.00 0.00 N ATOM 1187 CA GLY A 76 -2.279 -6.373 -16.691 1.00 0.00 C ATOM 1188 C GLY A 76 -2.988 -6.391 -15.349 1.00 0.00 C ATOM 1189 O GLY A 76 -2.934 -7.386 -14.626 1.00 0.00 O ATOM 0 H GLY A 76 -3.078 -5.142 -18.190 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.807 -7.341 -16.860 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.482 -5.629 -16.666 1.00 0.00 H new ATOM 1193 N PHE A 77 -3.651 -5.290 -15.014 1.00 0.00 N ATOM 1194 CA PHE A 77 -4.370 -5.186 -13.748 1.00 0.00 C ATOM 1195 C PHE A 77 -5.552 -6.153 -13.705 1.00 0.00 C ATOM 1196 O PHE A 77 -5.978 -6.579 -12.632 1.00 0.00 O ATOM 1197 CB PHE A 77 -4.858 -3.748 -13.532 1.00 0.00 C ATOM 1198 CG PHE A 77 -5.686 -3.568 -12.290 1.00 0.00 C ATOM 1199 CD1 PHE A 77 -5.305 -4.157 -11.095 1.00 0.00 C ATOM 1200 CD2 PHE A 77 -6.845 -2.810 -12.320 1.00 0.00 C ATOM 1201 CE1 PHE A 77 -6.065 -3.992 -9.953 1.00 0.00 C ATOM 1202 CE2 PHE A 77 -7.609 -2.642 -11.181 1.00 0.00 C ATOM 1203 CZ PHE A 77 -7.218 -3.233 -9.996 1.00 0.00 C ATOM 0 H PHE A 77 -3.706 -4.457 -15.600 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.682 -5.454 -12.946 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.994 -3.085 -13.481 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.446 -3.440 -14.397 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.404 -4.751 -11.056 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.155 -2.345 -13.244 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.758 -4.456 -9.028 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -8.511 -2.049 -11.218 1.00 0.00 H new ATOM 0 HZ PHE A 77 -7.813 -3.102 -9.104 1.00 0.00 H new ATOM 1213 N ALA A 78 -6.081 -6.489 -14.877 1.00 0.00 N ATOM 1214 CA ALA A 78 -7.217 -7.399 -14.974 1.00 0.00 C ATOM 1215 C ALA A 78 -6.902 -8.759 -14.380 1.00 0.00 C ATOM 1216 O ALA A 78 -7.607 -9.241 -13.493 1.00 0.00 O ATOM 1217 CB ALA A 78 -7.587 -7.581 -16.415 1.00 0.00 C ATOM 0 H ALA A 78 -5.741 -6.144 -15.774 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.042 -6.960 -14.413 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.436 -8.261 -16.490 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.855 -6.617 -16.846 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.739 -7.998 -16.958 1.00 0.00 H new ATOM 1223 N GLY A 79 -5.811 -9.360 -14.849 1.00 0.00 N ATOM 1224 CA GLY A 79 -5.398 -10.639 -14.321 1.00 0.00 C ATOM 1225 C GLY A 79 -5.040 -10.490 -12.867 1.00 0.00 C ATOM 1226 O GLY A 79 -4.914 -11.468 -12.130 1.00 0.00 O ATOM 0 H GLY A 79 -5.211 -8.982 -15.582 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.200 -11.368 -14.436 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.542 -11.016 -14.880 1.00 0.00 H new ATOM 1230 N TYR A 80 -4.877 -9.234 -12.468 1.00 0.00 N ATOM 1231 CA TYR A 80 -4.526 -8.900 -11.091 1.00 0.00 C ATOM 1232 C TYR A 80 -5.768 -8.536 -10.272 1.00 0.00 C ATOM 1233 O TYR A 80 -5.673 -8.230 -9.083 1.00 0.00 O ATOM 1234 CB TYR A 80 -3.532 -7.743 -11.074 1.00 0.00 C ATOM 1235 CG TYR A 80 -2.320 -7.990 -10.201 1.00 0.00 C ATOM 1236 CD1 TYR A 80 -1.703 -9.235 -10.169 1.00 0.00 C ATOM 1237 CD2 TYR A 80 -1.791 -6.977 -9.412 1.00 0.00 C ATOM 1238 CE1 TYR A 80 -0.596 -9.463 -9.375 1.00 0.00 C ATOM 1239 CE2 TYR A 80 -0.684 -7.197 -8.615 1.00 0.00 C ATOM 1240 CZ TYR A 80 -0.091 -8.442 -8.600 1.00 0.00 C ATOM 1241 OH TYR A 80 1.013 -8.664 -7.808 1.00 0.00 O ATOM 0 H TYR A 80 -4.983 -8.426 -13.081 1.00 0.00 H new ATOM 0 HA TYR A 80 -4.068 -9.778 -10.636 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.200 -7.547 -12.093 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -4.041 -6.844 -10.726 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -2.096 -10.038 -10.775 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -2.253 -6.001 -9.422 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -0.129 -10.437 -9.362 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -0.285 -6.398 -8.007 1.00 0.00 H new ATOM 0 HH TYR A 80 1.241 -7.841 -7.326 1.00 0.00 H new ATOM 1251 N PHE A 81 -6.926 -8.571 -10.920 1.00 0.00 N ATOM 1252 CA PHE A 81 -8.199 -8.247 -10.271 1.00 0.00 C ATOM 1253 C PHE A 81 -8.413 -9.046 -8.981 1.00 0.00 C ATOM 1254 O PHE A 81 -9.293 -8.716 -8.185 1.00 0.00 O ATOM 1255 CB PHE A 81 -9.360 -8.504 -11.233 1.00 0.00 C ATOM 1256 CG PHE A 81 -10.711 -8.201 -10.648 1.00 0.00 C ATOM 1257 CD1 PHE A 81 -11.386 -9.153 -9.901 1.00 0.00 C ATOM 1258 CD2 PHE A 81 -11.305 -6.965 -10.846 1.00 0.00 C ATOM 1259 CE1 PHE A 81 -12.628 -8.877 -9.362 1.00 0.00 C ATOM 1260 CE2 PHE A 81 -12.547 -6.684 -10.310 1.00 0.00 C ATOM 1261 CZ PHE A 81 -13.209 -7.641 -9.566 1.00 0.00 C ATOM 0 H PHE A 81 -7.014 -8.823 -11.905 1.00 0.00 H new ATOM 0 HA PHE A 81 -8.164 -7.191 -10.004 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -9.218 -7.899 -12.129 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -9.336 -9.548 -11.546 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -10.936 -10.121 -9.738 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -10.791 -6.213 -11.426 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -13.144 -9.627 -8.782 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -13.000 -5.717 -10.473 1.00 0.00 H new ATOM 0 HZ PHE A 81 -14.179 -7.423 -9.145 1.00 0.00 H new ATOM 1271 N ALA A 82 -7.616 -10.095 -8.775 1.00 0.00 N ATOM 1272 CA ALA A 82 -7.735 -10.932 -7.579 1.00 0.00 C ATOM 1273 C ALA A 82 -7.864 -10.097 -6.301 1.00 0.00 C ATOM 1274 O ALA A 82 -8.376 -10.582 -5.293 1.00 0.00 O ATOM 1275 CB ALA A 82 -6.541 -11.869 -7.480 1.00 0.00 C ATOM 0 H ALA A 82 -6.881 -10.386 -9.420 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.649 -11.517 -7.676 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.637 -12.488 -6.588 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.505 -12.508 -8.363 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.623 -11.284 -7.418 1.00 0.00 H new ATOM 1281 N LYS A 83 -7.412 -8.839 -6.363 1.00 0.00 N ATOM 1282 CA LYS A 83 -7.475 -7.904 -5.242 1.00 0.00 C ATOM 1283 C LYS A 83 -7.647 -8.591 -3.885 1.00 0.00 C ATOM 1284 O LYS A 83 -8.753 -8.968 -3.497 1.00 0.00 O ATOM 1285 CB LYS A 83 -8.606 -6.921 -5.495 1.00 0.00 C ATOM 1286 CG LYS A 83 -8.140 -5.638 -6.156 1.00 0.00 C ATOM 1287 CD LYS A 83 -9.313 -4.795 -6.631 1.00 0.00 C ATOM 1288 CE LYS A 83 -10.060 -5.473 -7.769 1.00 0.00 C ATOM 1289 NZ LYS A 83 -11.302 -6.146 -7.297 1.00 0.00 N ATOM 0 H LYS A 83 -6.989 -8.441 -7.202 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.518 -7.384 -5.187 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.358 -7.395 -6.125 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.089 -6.680 -4.548 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.539 -5.063 -5.452 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.497 -5.877 -7.003 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.996 -4.618 -5.800 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.953 -3.820 -6.960 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.314 -4.733 -8.528 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.409 -6.206 -8.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.950 -6.281 -8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.061 -7.071 -6.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.763 -5.557 -6.575 1.00 0.00 H new ATOM 1303 N MET A 84 -6.537 -8.732 -3.172 1.00 0.00 N ATOM 1304 CA MET A 84 -6.526 -9.355 -1.852 1.00 0.00 C ATOM 1305 C MET A 84 -7.381 -8.556 -0.865 1.00 0.00 C ATOM 1306 O MET A 84 -7.705 -7.396 -1.118 1.00 0.00 O ATOM 1307 CB MET A 84 -5.085 -9.449 -1.359 1.00 0.00 C ATOM 1308 CG MET A 84 -4.131 -10.022 -2.397 1.00 0.00 C ATOM 1309 SD MET A 84 -4.707 -11.581 -3.102 1.00 0.00 S ATOM 1310 CE MET A 84 -5.326 -12.413 -1.642 1.00 0.00 C ATOM 0 H MET A 84 -5.620 -8.419 -3.490 1.00 0.00 H new ATOM 0 HA MET A 84 -6.953 -10.355 -1.924 1.00 0.00 H new ATOM 0 HB2 MET A 84 -4.742 -8.456 -1.069 1.00 0.00 H new ATOM 0 HB3 MET A 84 -5.054 -10.071 -0.464 1.00 0.00 H new ATOM 0 HG2 MET A 84 -3.996 -9.295 -3.198 1.00 0.00 H new ATOM 0 HG3 MET A 84 -3.154 -10.176 -1.938 1.00 0.00 H new ATOM 0 HE1 MET A 84 -5.283 -13.492 -1.792 1.00 0.00 H new ATOM 0 HE2 MET A 84 -4.714 -12.141 -0.782 1.00 0.00 H new ATOM 0 HE3 MET A 84 -6.358 -12.113 -1.462 1.00 0.00 H new ATOM 1320 N PRO A 85 -7.764 -9.172 0.273 1.00 0.00 N ATOM 1321 CA PRO A 85 -8.587 -8.532 1.302 1.00 0.00 C ATOM 1322 C PRO A 85 -8.273 -7.047 1.488 1.00 0.00 C ATOM 1323 O PRO A 85 -9.180 -6.226 1.623 1.00 0.00 O ATOM 1324 CB PRO A 85 -8.244 -9.321 2.579 1.00 0.00 C ATOM 1325 CG PRO A 85 -7.337 -10.441 2.155 1.00 0.00 C ATOM 1326 CD PRO A 85 -7.439 -10.544 0.659 1.00 0.00 C ATOM 0 HA PRO A 85 -9.644 -8.555 1.037 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -7.753 -8.680 3.311 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -9.147 -9.710 3.050 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -6.309 -10.242 2.459 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.633 -11.378 2.627 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.505 -10.882 0.210 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -8.213 -11.247 0.352 1.00 0.00 H new ATOM 1334 N TRP A 86 -6.986 -6.708 1.490 1.00 0.00 N ATOM 1335 CA TRP A 86 -6.554 -5.320 1.654 1.00 0.00 C ATOM 1336 C TRP A 86 -7.346 -4.396 0.737 1.00 0.00 C ATOM 1337 O TRP A 86 -7.978 -4.866 -0.210 1.00 0.00 O ATOM 1338 CB TRP A 86 -5.060 -5.201 1.347 1.00 0.00 C ATOM 1339 CG TRP A 86 -4.679 -5.567 -0.053 1.00 0.00 C ATOM 1340 CD1 TRP A 86 -5.235 -5.098 -1.208 1.00 0.00 C ATOM 1341 CD2 TRP A 86 -3.633 -6.460 -0.445 1.00 0.00 C ATOM 1342 NE1 TRP A 86 -4.606 -5.655 -2.291 1.00 0.00 N ATOM 1343 CE2 TRP A 86 -3.620 -6.495 -1.851 1.00 0.00 C ATOM 1344 CE3 TRP A 86 -2.710 -7.239 0.257 1.00 0.00 C ATOM 1345 CZ2 TRP A 86 -2.720 -7.277 -2.569 1.00 0.00 C ATOM 1346 CZ3 TRP A 86 -1.816 -8.014 -0.458 1.00 0.00 C ATOM 1347 CH2 TRP A 86 -1.827 -8.028 -1.858 1.00 0.00 C ATOM 0 H TRP A 86 -6.223 -7.375 1.380 1.00 0.00 H new ATOM 0 HA TRP A 86 -6.736 -5.021 2.686 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -4.744 -4.176 1.539 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -4.509 -5.839 2.038 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -6.051 -4.392 -1.261 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -4.836 -5.473 -3.268 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -2.695 -7.236 1.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -2.727 -7.290 -3.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -1.096 -8.619 0.073 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -1.115 -8.645 -2.387 1.00 0.00 H new ATOM 1358 N LEU A 87 -7.330 -3.085 1.000 1.00 0.00 N ATOM 1359 CA LEU A 87 -8.067 -2.177 0.159 1.00 0.00 C ATOM 1360 C LEU A 87 -7.260 -1.805 -1.077 1.00 0.00 C ATOM 1361 O LEU A 87 -6.033 -1.866 -1.071 1.00 0.00 O ATOM 1362 CB LEU A 87 -8.470 -0.920 0.934 1.00 0.00 C ATOM 1363 CG LEU A 87 -9.787 -1.028 1.707 1.00 0.00 C ATOM 1364 CD1 LEU A 87 -9.722 -0.210 2.990 1.00 0.00 C ATOM 1365 CD2 LEU A 87 -10.953 -0.576 0.839 1.00 0.00 C ATOM 0 H LEU A 87 -6.824 -2.651 1.772 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.975 -2.685 -0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.674 -0.674 1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.545 -0.088 0.233 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.945 -2.072 1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -10.667 -0.299 3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.912 -0.582 3.618 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -9.540 0.837 2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.881 -0.659 1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -10.803 0.461 0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.011 -1.206 -0.049 1.00 0.00 H new ATOM 1377 N ALA A 88 -7.957 -1.461 -2.152 1.00 0.00 N ATOM 1378 CA ALA A 88 -7.303 -1.123 -3.401 1.00 0.00 C ATOM 1379 C ALA A 88 -7.993 0.033 -4.113 1.00 0.00 C ATOM 1380 O ALA A 88 -9.162 0.324 -3.862 1.00 0.00 O ATOM 1381 CB ALA A 88 -7.305 -2.345 -4.287 1.00 0.00 C ATOM 0 H ALA A 88 -8.975 -1.410 -2.180 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.284 -0.804 -3.184 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.816 -2.110 -5.233 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.767 -3.154 -3.792 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.333 -2.655 -4.477 1.00 0.00 H new ATOM 1387 N VAL A 89 -7.265 0.674 -5.020 1.00 0.00 N ATOM 1388 CA VAL A 89 -7.810 1.783 -5.792 1.00 0.00 C ATOM 1389 C VAL A 89 -8.348 1.284 -7.131 1.00 0.00 C ATOM 1390 O VAL A 89 -7.618 0.665 -7.905 1.00 0.00 O ATOM 1391 CB VAL A 89 -6.750 2.872 -6.058 1.00 0.00 C ATOM 1392 CG1 VAL A 89 -7.360 4.042 -6.822 1.00 0.00 C ATOM 1393 CG2 VAL A 89 -6.133 3.342 -4.750 1.00 0.00 C ATOM 0 H VAL A 89 -6.296 0.444 -5.238 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.616 2.218 -5.201 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.960 2.442 -6.674 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.596 4.799 -6.999 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.750 3.689 -7.777 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -8.171 4.475 -6.237 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.387 4.110 -4.955 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -6.911 3.754 -4.108 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.657 2.499 -4.248 1.00 0.00 H new ATOM 1403 N PRO A 90 -9.632 1.548 -7.433 1.00 0.00 N ATOM 1404 CA PRO A 90 -10.239 1.117 -8.694 1.00 0.00 C ATOM 1405 C PRO A 90 -9.484 1.666 -9.897 1.00 0.00 C ATOM 1406 O PRO A 90 -8.936 2.767 -9.844 1.00 0.00 O ATOM 1407 CB PRO A 90 -11.660 1.696 -8.640 1.00 0.00 C ATOM 1408 CG PRO A 90 -11.621 2.739 -7.573 1.00 0.00 C ATOM 1409 CD PRO A 90 -10.583 2.286 -6.589 1.00 0.00 C ATOM 0 HA PRO A 90 -10.223 0.033 -8.806 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -11.946 2.126 -9.600 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.391 0.922 -8.407 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -11.365 3.713 -7.989 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -12.594 2.843 -7.093 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -10.108 3.128 -6.086 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -11.011 1.652 -5.813 1.00 0.00 H new ATOM 1417 N PHE A 91 -9.454 0.896 -10.982 1.00 0.00 N ATOM 1418 CA PHE A 91 -8.761 1.317 -12.196 1.00 0.00 C ATOM 1419 C PHE A 91 -9.140 2.748 -12.562 1.00 0.00 C ATOM 1420 O PHE A 91 -8.344 3.484 -13.144 1.00 0.00 O ATOM 1421 CB PHE A 91 -9.096 0.374 -13.353 1.00 0.00 C ATOM 1422 CG PHE A 91 -8.235 0.580 -14.565 1.00 0.00 C ATOM 1423 CD1 PHE A 91 -6.858 0.691 -14.442 1.00 0.00 C ATOM 1424 CD2 PHE A 91 -8.800 0.663 -15.827 1.00 0.00 C ATOM 1425 CE1 PHE A 91 -6.062 0.881 -15.555 1.00 0.00 C ATOM 1426 CE2 PHE A 91 -8.008 0.853 -16.945 1.00 0.00 C ATOM 1427 CZ PHE A 91 -6.638 0.961 -16.808 1.00 0.00 C ATOM 0 H PHE A 91 -9.900 -0.019 -11.045 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.688 1.279 -12.008 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -8.990 -0.656 -13.013 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.141 0.512 -13.632 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.403 0.628 -13.465 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.871 0.578 -15.939 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.991 0.967 -15.446 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.460 0.917 -17.924 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.018 1.108 -17.680 1.00 0.00 H new ATOM 1437 N ALA A 92 -10.364 3.131 -12.214 1.00 0.00 N ATOM 1438 CA ALA A 92 -10.860 4.471 -12.499 1.00 0.00 C ATOM 1439 C ALA A 92 -9.925 5.554 -11.957 1.00 0.00 C ATOM 1440 O ALA A 92 -9.750 6.597 -12.588 1.00 0.00 O ATOM 1441 CB ALA A 92 -12.256 4.646 -11.921 1.00 0.00 C ATOM 0 H ALA A 92 -11.032 2.529 -11.732 1.00 0.00 H new ATOM 0 HA ALA A 92 -10.899 4.584 -13.582 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -12.617 5.651 -12.140 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -12.929 3.914 -12.367 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.224 4.499 -10.841 1.00 0.00 H new ATOM 1447 N GLN A 93 -9.330 5.316 -10.787 1.00 0.00 N ATOM 1448 CA GLN A 93 -8.429 6.291 -10.186 1.00 0.00 C ATOM 1449 C GLN A 93 -6.986 5.795 -10.197 1.00 0.00 C ATOM 1450 O GLN A 93 -6.169 6.222 -9.382 1.00 0.00 O ATOM 1451 CB GLN A 93 -8.863 6.599 -8.751 1.00 0.00 C ATOM 1452 CG GLN A 93 -10.369 6.730 -8.584 1.00 0.00 C ATOM 1453 CD GLN A 93 -10.898 8.059 -9.086 1.00 0.00 C ATOM 1454 OE1 GLN A 93 -10.132 8.928 -9.503 1.00 0.00 O ATOM 1455 NE2 GLN A 93 -12.215 8.224 -9.049 1.00 0.00 N ATOM 0 H GLN A 93 -9.456 4.462 -10.243 1.00 0.00 H new ATOM 0 HA GLN A 93 -8.479 7.203 -10.782 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -8.501 5.809 -8.093 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -8.388 7.525 -8.428 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -10.862 5.920 -9.122 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.625 6.616 -7.531 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -12.813 7.477 -8.695 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -12.629 9.098 -9.374 1.00 0.00 H new ATOM 1464 N SER A 94 -6.675 4.896 -11.126 1.00 0.00 N ATOM 1465 CA SER A 94 -5.324 4.357 -11.234 1.00 0.00 C ATOM 1466 C SER A 94 -4.332 5.465 -11.571 1.00 0.00 C ATOM 1467 O SER A 94 -3.159 5.395 -11.205 1.00 0.00 O ATOM 1468 CB SER A 94 -5.266 3.260 -12.297 1.00 0.00 C ATOM 1469 OG SER A 94 -5.119 3.809 -13.596 1.00 0.00 O ATOM 0 H SER A 94 -7.335 4.528 -11.810 1.00 0.00 H new ATOM 0 HA SER A 94 -5.052 3.924 -10.271 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.432 2.590 -12.086 1.00 0.00 H new ATOM 0 HB3 SER A 94 -6.175 2.660 -12.254 1.00 0.00 H new ATOM 0 HG SER A 94 -5.341 3.129 -14.266 1.00 0.00 H new ATOM 1475 N GLU A 95 -4.816 6.494 -12.263 1.00 0.00 N ATOM 1476 CA GLU A 95 -3.982 7.625 -12.642 1.00 0.00 C ATOM 1477 C GLU A 95 -3.288 8.213 -11.422 1.00 0.00 C ATOM 1478 O GLU A 95 -2.109 8.566 -11.466 1.00 0.00 O ATOM 1479 CB GLU A 95 -4.840 8.692 -13.314 1.00 0.00 C ATOM 1480 CG GLU A 95 -6.085 9.065 -12.526 1.00 0.00 C ATOM 1481 CD GLU A 95 -6.825 10.242 -13.131 1.00 0.00 C ATOM 1482 OE1 GLU A 95 -6.261 11.355 -13.144 1.00 0.00 O ATOM 1483 OE2 GLU A 95 -7.970 10.050 -13.592 1.00 0.00 O ATOM 0 H GLU A 95 -5.785 6.565 -12.572 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.219 7.278 -13.339 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.237 9.587 -13.467 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.139 8.337 -14.300 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.753 8.205 -12.480 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.804 9.305 -11.501 1.00 0.00 H new ATOM 1490 N ALA A 96 -4.036 8.307 -10.332 1.00 0.00 N ATOM 1491 CA ALA A 96 -3.516 8.842 -9.080 1.00 0.00 C ATOM 1492 C ALA A 96 -2.235 8.134 -8.673 1.00 0.00 C ATOM 1493 O ALA A 96 -1.298 8.754 -8.183 1.00 0.00 O ATOM 1494 CB ALA A 96 -4.545 8.679 -7.976 1.00 0.00 C ATOM 0 H ALA A 96 -5.013 8.017 -10.289 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.301 9.900 -9.233 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.147 9.082 -7.045 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.455 9.217 -8.244 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.774 7.621 -7.845 1.00 0.00 H new ATOM 1500 N VAL A 97 -2.215 6.827 -8.877 1.00 0.00 N ATOM 1501 CA VAL A 97 -1.061 6.010 -8.532 1.00 0.00 C ATOM 1502 C VAL A 97 0.189 6.495 -9.252 1.00 0.00 C ATOM 1503 O VAL A 97 1.300 6.412 -8.727 1.00 0.00 O ATOM 1504 CB VAL A 97 -1.323 4.540 -8.879 1.00 0.00 C ATOM 1505 CG1 VAL A 97 -0.085 3.699 -8.624 1.00 0.00 C ATOM 1506 CG2 VAL A 97 -2.515 4.030 -8.084 1.00 0.00 C ATOM 0 H VAL A 97 -2.991 6.305 -9.283 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.898 6.100 -7.458 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.557 4.459 -9.940 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.293 2.659 -8.877 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.737 4.065 -9.240 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.192 3.768 -7.572 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.698 2.985 -8.333 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.306 4.117 -7.018 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.397 4.622 -8.330 1.00 0.00 H new ATOM 1516 N GLN A 98 -0.011 7.003 -10.453 1.00 0.00 N ATOM 1517 CA GLN A 98 1.085 7.515 -11.268 1.00 0.00 C ATOM 1518 C GLN A 98 1.585 8.848 -10.721 1.00 0.00 C ATOM 1519 O GLN A 98 2.790 9.082 -10.632 1.00 0.00 O ATOM 1520 CB GLN A 98 0.634 7.683 -12.721 1.00 0.00 C ATOM 1521 CG GLN A 98 0.089 6.407 -13.343 1.00 0.00 C ATOM 1522 CD GLN A 98 1.049 5.241 -13.216 1.00 0.00 C ATOM 1523 OE1 GLN A 98 1.252 4.703 -12.127 1.00 0.00 O ATOM 1524 NE2 GLN A 98 1.647 4.843 -14.333 1.00 0.00 N ATOM 0 H GLN A 98 -0.929 7.074 -10.893 1.00 0.00 H new ATOM 0 HA GLN A 98 1.902 6.795 -11.232 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.133 8.456 -12.767 1.00 0.00 H new ATOM 0 HB3 GLN A 98 1.477 8.035 -13.315 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.856 6.149 -12.865 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.125 6.584 -14.397 1.00 0.00 H new ATOM 0 HE21 GLN A 98 1.450 5.317 -15.214 1.00 0.00 H new ATOM 0 HE22 GLN A 98 2.304 4.063 -14.310 1.00 0.00 H new ATOM 1533 N LYS A 99 0.649 9.719 -10.353 1.00 0.00 N ATOM 1534 CA LYS A 99 0.994 11.028 -9.810 1.00 0.00 C ATOM 1535 C LYS A 99 1.432 10.909 -8.355 1.00 0.00 C ATOM 1536 O LYS A 99 2.364 11.585 -7.919 1.00 0.00 O ATOM 1537 CB LYS A 99 -0.198 11.980 -9.920 1.00 0.00 C ATOM 1538 CG LYS A 99 -0.481 12.441 -11.342 1.00 0.00 C ATOM 1539 CD LYS A 99 0.491 13.525 -11.781 1.00 0.00 C ATOM 1540 CE LYS A 99 1.568 12.969 -12.699 1.00 0.00 C ATOM 1541 NZ LYS A 99 0.989 12.183 -13.824 1.00 0.00 N ATOM 0 H LYS A 99 -0.353 9.541 -10.421 1.00 0.00 H new ATOM 0 HA LYS A 99 1.824 11.430 -10.391 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -1.085 11.485 -9.524 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.014 12.853 -9.294 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -0.411 11.592 -12.022 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -1.502 12.818 -11.407 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.054 14.317 -12.295 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.956 13.975 -10.904 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.163 13.790 -13.099 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.244 12.336 -12.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 1.586 12.293 -14.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 0.946 11.178 -13.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 0.030 12.528 -14.031 1.00 0.00 H new ATOM 1555 N LEU A 100 0.759 10.037 -7.611 1.00 0.00 N ATOM 1556 CA LEU A 100 1.086 9.824 -6.203 1.00 0.00 C ATOM 1557 C LEU A 100 2.466 9.181 -6.073 1.00 0.00 C ATOM 1558 O LEU A 100 3.202 9.452 -5.125 1.00 0.00 O ATOM 1559 CB LEU A 100 0.018 8.962 -5.488 1.00 0.00 C ATOM 1560 CG LEU A 100 0.555 8.038 -4.403 1.00 0.00 C ATOM 1561 CD1 LEU A 100 1.221 8.864 -3.325 1.00 0.00 C ATOM 1562 CD2 LEU A 100 -0.560 7.175 -3.829 1.00 0.00 C ATOM 0 H LEU A 100 -0.014 9.468 -7.957 1.00 0.00 H new ATOM 0 HA LEU A 100 1.099 10.799 -5.715 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.724 9.625 -5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.499 8.359 -6.234 1.00 0.00 H new ATOM 0 HG LEU A 100 1.295 7.365 -4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.606 8.205 -2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.043 9.433 -3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.494 9.551 -2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.154 6.523 -3.056 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.329 7.815 -3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.996 6.569 -4.623 1.00 0.00 H new ATOM 1574 N SER A 101 2.810 8.329 -7.034 1.00 0.00 N ATOM 1575 CA SER A 101 4.099 7.649 -7.027 1.00 0.00 C ATOM 1576 C SER A 101 5.246 8.655 -7.004 1.00 0.00 C ATOM 1577 O SER A 101 6.243 8.461 -6.308 1.00 0.00 O ATOM 1578 CB SER A 101 4.228 6.741 -8.251 1.00 0.00 C ATOM 1579 OG SER A 101 5.485 6.087 -8.272 1.00 0.00 O ATOM 0 H SER A 101 2.213 8.094 -7.827 1.00 0.00 H new ATOM 0 HA SER A 101 4.154 7.041 -6.124 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.429 6.000 -8.243 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.106 7.331 -9.159 1.00 0.00 H new ATOM 0 HG SER A 101 5.415 5.261 -8.794 1.00 0.00 H new ATOM 1585 N LYS A 102 5.096 9.733 -7.767 1.00 0.00 N ATOM 1586 CA LYS A 102 6.118 10.771 -7.831 1.00 0.00 C ATOM 1587 C LYS A 102 6.282 11.461 -6.480 1.00 0.00 C ATOM 1588 O LYS A 102 7.360 11.954 -6.151 1.00 0.00 O ATOM 1589 CB LYS A 102 5.760 11.802 -8.903 1.00 0.00 C ATOM 1590 CG LYS A 102 5.841 11.259 -10.321 1.00 0.00 C ATOM 1591 CD LYS A 102 7.015 11.854 -11.083 1.00 0.00 C ATOM 1592 CE LYS A 102 6.667 13.213 -11.669 1.00 0.00 C ATOM 1593 NZ LYS A 102 6.147 13.102 -13.059 1.00 0.00 N ATOM 0 H LYS A 102 4.277 9.910 -8.349 1.00 0.00 H new ATOM 0 HA LYS A 102 7.064 10.297 -8.092 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.750 12.168 -8.720 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.430 12.657 -8.811 1.00 0.00 H new ATOM 0 HG2 LYS A 102 5.939 10.174 -10.290 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.914 11.481 -10.849 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.871 11.953 -10.415 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.312 11.176 -11.884 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.921 13.699 -11.040 1.00 0.00 H new ATOM 0 HE3 LYS A 102 7.552 13.849 -11.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.922 14.050 -13.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 6.868 12.661 -13.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.287 12.517 -13.062 1.00 0.00 H new ATOM 1607 N HIS A 103 5.204 11.491 -5.701 1.00 0.00 N ATOM 1608 CA HIS A 103 5.228 12.121 -4.387 1.00 0.00 C ATOM 1609 C HIS A 103 6.052 11.297 -3.400 1.00 0.00 C ATOM 1610 O HIS A 103 6.631 11.839 -2.457 1.00 0.00 O ATOM 1611 CB HIS A 103 3.802 12.300 -3.858 1.00 0.00 C ATOM 1612 CG HIS A 103 3.506 13.694 -3.397 1.00 0.00 C ATOM 1613 ND1 HIS A 103 2.884 13.974 -2.199 1.00 0.00 N ATOM 1614 CD2 HIS A 103 3.750 14.890 -3.981 1.00 0.00 C ATOM 1615 CE1 HIS A 103 2.757 15.282 -2.065 1.00 0.00 C ATOM 1616 NE2 HIS A 103 3.276 15.861 -3.133 1.00 0.00 N ATOM 0 H HIS A 103 4.304 11.086 -5.958 1.00 0.00 H new ATOM 0 HA HIS A 103 5.695 13.100 -4.490 1.00 0.00 H new ATOM 0 HB2 HIS A 103 3.095 12.027 -4.642 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.641 11.610 -3.030 1.00 0.00 H new ATOM 0 HD1 HIS A 103 2.571 13.279 -1.521 1.00 0.00 H new ATOM 0 HD2 HIS A 103 4.228 15.051 -4.936 1.00 0.00 H new ATOM 0 HE1 HIS A 103 2.306 15.791 -1.226 1.00 0.00 H new ATOM 1625 N PHE A 104 6.102 9.987 -3.622 1.00 0.00 N ATOM 1626 CA PHE A 104 6.856 9.093 -2.749 1.00 0.00 C ATOM 1627 C PHE A 104 8.269 8.856 -3.283 1.00 0.00 C ATOM 1628 O PHE A 104 8.937 7.905 -2.883 1.00 0.00 O ATOM 1629 CB PHE A 104 6.125 7.759 -2.599 1.00 0.00 C ATOM 1630 CG PHE A 104 5.171 7.725 -1.439 1.00 0.00 C ATOM 1631 CD1 PHE A 104 5.567 8.168 -0.187 1.00 0.00 C ATOM 1632 CD2 PHE A 104 3.880 7.251 -1.601 1.00 0.00 C ATOM 1633 CE1 PHE A 104 4.691 8.139 0.881 1.00 0.00 C ATOM 1634 CE2 PHE A 104 3.000 7.219 -0.536 1.00 0.00 C ATOM 1635 CZ PHE A 104 3.406 7.663 0.707 1.00 0.00 C ATOM 0 H PHE A 104 5.630 9.521 -4.397 1.00 0.00 H new ATOM 0 HA PHE A 104 6.937 9.570 -1.772 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.576 7.550 -3.517 1.00 0.00 H new ATOM 0 HB3 PHE A 104 6.860 6.963 -2.478 1.00 0.00 H new ATOM 0 HD1 PHE A 104 6.571 8.540 -0.045 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.557 6.902 -2.571 1.00 0.00 H new ATOM 0 HE1 PHE A 104 5.011 8.488 1.852 1.00 0.00 H new ATOM 0 HE2 PHE A 104 1.996 6.847 -0.676 1.00 0.00 H new ATOM 0 HZ PHE A 104 2.720 7.638 1.541 1.00 0.00 H new ATOM 1645 N ASN A 105 8.715 9.729 -4.187 1.00 0.00 N ATOM 1646 CA ASN A 105 10.049 9.624 -4.777 1.00 0.00 C ATOM 1647 C ASN A 105 10.384 8.183 -5.161 1.00 0.00 C ATOM 1648 O ASN A 105 11.525 7.744 -5.023 1.00 0.00 O ATOM 1649 CB ASN A 105 11.101 10.168 -3.807 1.00 0.00 C ATOM 1650 CG ASN A 105 11.221 9.331 -2.548 1.00 0.00 C ATOM 1651 OD1 ASN A 105 10.482 9.531 -1.584 1.00 0.00 O ATOM 1652 ND2 ASN A 105 12.157 8.389 -2.550 1.00 0.00 N ATOM 0 H ASN A 105 8.169 10.520 -4.528 1.00 0.00 H new ATOM 0 HA ASN A 105 10.056 10.222 -5.688 1.00 0.00 H new ATOM 0 HB2 ASN A 105 12.068 10.204 -4.308 1.00 0.00 H new ATOM 0 HB3 ASN A 105 10.844 11.192 -3.535 1.00 0.00 H new ATOM 0 HD21 ASN A 105 12.286 7.796 -1.730 1.00 0.00 H new ATOM 0 HD22 ASN A 105 12.747 8.258 -3.372 1.00 0.00 H new ATOM 1659 N VAL A 106 9.382 7.456 -5.643 1.00 0.00 N ATOM 1660 CA VAL A 106 9.575 6.068 -6.048 1.00 0.00 C ATOM 1661 C VAL A 106 10.420 5.978 -7.313 1.00 0.00 C ATOM 1662 O VAL A 106 9.917 6.160 -8.422 1.00 0.00 O ATOM 1663 CB VAL A 106 8.229 5.356 -6.294 1.00 0.00 C ATOM 1664 CG1 VAL A 106 8.437 3.856 -6.445 1.00 0.00 C ATOM 1665 CG2 VAL A 106 7.250 5.658 -5.169 1.00 0.00 C ATOM 0 H VAL A 106 8.430 7.803 -5.763 1.00 0.00 H new ATOM 0 HA VAL A 106 10.094 5.572 -5.228 1.00 0.00 H new ATOM 0 HB VAL A 106 7.804 5.734 -7.223 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.476 3.371 -6.618 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.098 3.664 -7.290 1.00 0.00 H new ATOM 0 HG13 VAL A 106 8.886 3.458 -5.535 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.307 5.147 -5.361 1.00 0.00 H new ATOM 0 HG22 VAL A 106 7.665 5.311 -4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 106 7.076 6.733 -5.117 1.00 0.00 H new ATOM 1675 N GLU A 107 11.707 5.695 -7.140 1.00 0.00 N ATOM 1676 CA GLU A 107 12.622 5.581 -8.271 1.00 0.00 C ATOM 1677 C GLU A 107 12.157 4.494 -9.234 1.00 0.00 C ATOM 1678 O GLU A 107 12.133 4.695 -10.448 1.00 0.00 O ATOM 1679 CB GLU A 107 14.038 5.274 -7.780 1.00 0.00 C ATOM 1680 CG GLU A 107 15.090 5.349 -8.875 1.00 0.00 C ATOM 1681 CD GLU A 107 15.084 6.680 -9.600 1.00 0.00 C ATOM 1682 OE1 GLU A 107 15.717 7.632 -9.098 1.00 0.00 O ATOM 1683 OE2 GLU A 107 14.446 6.770 -10.670 1.00 0.00 O ATOM 0 H GLU A 107 12.140 5.541 -6.229 1.00 0.00 H new ATOM 0 HA GLU A 107 12.629 6.534 -8.801 1.00 0.00 H new ATOM 0 HB2 GLU A 107 14.299 5.976 -6.988 1.00 0.00 H new ATOM 0 HB3 GLU A 107 14.053 4.277 -7.340 1.00 0.00 H new ATOM 0 HG2 GLU A 107 16.075 5.181 -8.439 1.00 0.00 H new ATOM 0 HG3 GLU A 107 14.919 4.547 -9.594 1.00 0.00 H new ATOM 1690 N SER A 108 11.785 3.344 -8.682 1.00 0.00 N ATOM 1691 CA SER A 108 11.316 2.226 -9.492 1.00 0.00 C ATOM 1692 C SER A 108 10.618 1.182 -8.627 1.00 0.00 C ATOM 1693 O SER A 108 10.937 1.020 -7.450 1.00 0.00 O ATOM 1694 CB SER A 108 12.483 1.582 -10.242 1.00 0.00 C ATOM 1695 OG SER A 108 13.093 2.506 -11.127 1.00 0.00 O ATOM 0 H SER A 108 11.799 3.162 -7.678 1.00 0.00 H new ATOM 0 HA SER A 108 10.599 2.614 -10.215 1.00 0.00 H new ATOM 0 HB2 SER A 108 13.221 1.216 -9.528 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.126 0.718 -10.803 1.00 0.00 H new ATOM 0 HG SER A 108 12.461 3.225 -11.336 1.00 0.00 H new ATOM 1701 N ILE A 109 9.662 0.481 -9.224 1.00 0.00 N ATOM 1702 CA ILE A 109 8.911 -0.547 -8.513 1.00 0.00 C ATOM 1703 C ILE A 109 9.678 -1.868 -8.471 1.00 0.00 C ATOM 1704 O ILE A 109 10.578 -2.096 -9.279 1.00 0.00 O ATOM 1705 CB ILE A 109 7.519 -0.777 -9.149 1.00 0.00 C ATOM 1706 CG1 ILE A 109 7.593 -0.839 -10.684 1.00 0.00 C ATOM 1707 CG2 ILE A 109 6.574 0.331 -8.721 1.00 0.00 C ATOM 1708 CD1 ILE A 109 8.743 -1.665 -11.223 1.00 0.00 C ATOM 0 H ILE A 109 9.388 0.605 -10.199 1.00 0.00 H new ATOM 0 HA ILE A 109 8.773 -0.186 -7.494 1.00 0.00 H new ATOM 0 HB ILE A 109 7.146 -1.739 -8.799 1.00 0.00 H new ATOM 0 HG12 ILE A 109 6.658 -1.249 -11.064 1.00 0.00 H new ATOM 0 HG13 ILE A 109 7.677 0.176 -11.073 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.594 0.167 -9.170 1.00 0.00 H new ATOM 0 HG22 ILE A 109 6.480 0.330 -7.635 1.00 0.00 H new ATOM 0 HG23 ILE A 109 6.968 1.293 -9.050 1.00 0.00 H new ATOM 0 HD11 ILE A 109 8.719 -1.654 -12.313 1.00 0.00 H new ATOM 0 HD12 ILE A 109 9.687 -1.244 -10.877 1.00 0.00 H new ATOM 0 HD13 ILE A 109 8.651 -2.692 -10.868 1.00 0.00 H new ATOM 1720 N PRO A 110 9.337 -2.760 -7.521 1.00 0.00 N ATOM 1721 CA PRO A 110 8.278 -2.536 -6.538 1.00 0.00 C ATOM 1722 C PRO A 110 8.788 -1.852 -5.273 1.00 0.00 C ATOM 1723 O PRO A 110 9.980 -1.889 -4.971 1.00 0.00 O ATOM 1724 CB PRO A 110 7.823 -3.957 -6.228 1.00 0.00 C ATOM 1725 CG PRO A 110 9.064 -4.782 -6.346 1.00 0.00 C ATOM 1726 CD PRO A 110 9.965 -4.081 -7.339 1.00 0.00 C ATOM 0 HA PRO A 110 7.493 -1.878 -6.910 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.393 -4.027 -5.229 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.057 -4.290 -6.928 1.00 0.00 H new ATOM 0 HG2 PRO A 110 9.557 -4.879 -5.379 1.00 0.00 H new ATOM 0 HG3 PRO A 110 8.827 -5.790 -6.685 1.00 0.00 H new ATOM 0 HD2 PRO A 110 10.983 -3.990 -6.959 1.00 0.00 H new ATOM 0 HD3 PRO A 110 10.024 -4.628 -8.280 1.00 0.00 H new ATOM 1734 N THR A 111 7.874 -1.232 -4.533 1.00 0.00 N ATOM 1735 CA THR A 111 8.226 -0.545 -3.296 1.00 0.00 C ATOM 1736 C THR A 111 7.071 -0.602 -2.297 1.00 0.00 C ATOM 1737 O THR A 111 5.948 -0.955 -2.657 1.00 0.00 O ATOM 1738 CB THR A 111 8.618 0.910 -3.591 1.00 0.00 C ATOM 1739 OG1 THR A 111 9.558 1.378 -2.639 1.00 0.00 O ATOM 1740 CG2 THR A 111 7.448 1.872 -3.593 1.00 0.00 C ATOM 0 H THR A 111 6.883 -1.192 -4.769 1.00 0.00 H new ATOM 0 HA THR A 111 9.082 -1.052 -2.850 1.00 0.00 H new ATOM 0 HB THR A 111 9.042 0.889 -4.595 1.00 0.00 H new ATOM 0 HG1 THR A 111 9.797 2.306 -2.844 1.00 0.00 H new ATOM 0 HG21 THR A 111 7.805 2.879 -3.809 1.00 0.00 H new ATOM 0 HG22 THR A 111 6.730 1.570 -4.356 1.00 0.00 H new ATOM 0 HG23 THR A 111 6.965 1.860 -2.616 1.00 0.00 H new ATOM 1748 N LEU A 112 7.348 -0.237 -1.049 1.00 0.00 N ATOM 1749 CA LEU A 112 6.311 -0.235 -0.009 1.00 0.00 C ATOM 1750 C LEU A 112 6.567 0.883 0.998 1.00 0.00 C ATOM 1751 O LEU A 112 7.666 1.001 1.541 1.00 0.00 O ATOM 1752 CB LEU A 112 6.208 -1.617 0.693 1.00 0.00 C ATOM 1753 CG LEU A 112 5.201 -1.745 1.853 1.00 0.00 C ATOM 1754 CD1 LEU A 112 3.946 -0.924 1.637 1.00 0.00 C ATOM 1755 CD2 LEU A 112 4.823 -3.196 2.071 1.00 0.00 C ATOM 0 H LEU A 112 8.270 0.059 -0.730 1.00 0.00 H new ATOM 0 HA LEU A 112 5.351 -0.047 -0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 112 5.951 -2.361 -0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.196 -1.877 1.073 1.00 0.00 H new ATOM 0 HG LEU A 112 5.701 -1.353 2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.275 -1.054 2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.212 0.129 1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 112 3.447 -1.255 0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.111 -3.267 2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 112 4.369 -3.594 1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 112 5.716 -3.772 2.313 1.00 0.00 H new ATOM 1767 N ILE A 113 5.552 1.712 1.234 1.00 0.00 N ATOM 1768 CA ILE A 113 5.674 2.831 2.166 1.00 0.00 C ATOM 1769 C ILE A 113 4.448 2.945 3.070 1.00 0.00 C ATOM 1770 O ILE A 113 3.319 2.736 2.628 1.00 0.00 O ATOM 1771 CB ILE A 113 5.866 4.163 1.407 1.00 0.00 C ATOM 1772 CG1 ILE A 113 7.095 4.081 0.497 1.00 0.00 C ATOM 1773 CG2 ILE A 113 5.992 5.329 2.380 1.00 0.00 C ATOM 1774 CD1 ILE A 113 7.419 5.382 -0.207 1.00 0.00 C ATOM 0 H ILE A 113 4.636 1.630 0.793 1.00 0.00 H new ATOM 0 HA ILE A 113 6.550 2.634 2.784 1.00 0.00 H new ATOM 0 HB ILE A 113 4.986 4.337 0.788 1.00 0.00 H new ATOM 0 HG12 ILE A 113 7.956 3.775 1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.932 3.305 -0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 113 6.126 6.256 1.822 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.088 5.397 2.985 1.00 0.00 H new ATOM 0 HG23 ILE A 113 6.852 5.169 3.030 1.00 0.00 H new ATOM 0 HD11 ILE A 113 8.301 5.247 -0.833 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.575 5.679 -0.829 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.615 6.157 0.534 1.00 0.00 H new ATOM 1786 N GLY A 114 4.676 3.288 4.337 1.00 0.00 N ATOM 1787 CA GLY A 114 3.579 3.430 5.279 1.00 0.00 C ATOM 1788 C GLY A 114 3.411 4.858 5.762 1.00 0.00 C ATOM 1789 O GLY A 114 4.393 5.569 5.971 1.00 0.00 O ATOM 0 H GLY A 114 5.601 3.470 4.727 1.00 0.00 H new ATOM 0 HA2 GLY A 114 2.654 3.098 4.808 1.00 0.00 H new ATOM 0 HA3 GLY A 114 3.752 2.778 6.135 1.00 0.00 H new ATOM 1793 N VAL A 115 2.162 5.277 5.948 1.00 0.00 N ATOM 1794 CA VAL A 115 1.868 6.618 6.415 1.00 0.00 C ATOM 1795 C VAL A 115 0.835 6.585 7.532 1.00 0.00 C ATOM 1796 O VAL A 115 0.133 5.591 7.720 1.00 0.00 O ATOM 1797 CB VAL A 115 1.357 7.521 5.273 1.00 0.00 C ATOM 1798 CG1 VAL A 115 2.328 7.501 4.102 1.00 0.00 C ATOM 1799 CG2 VAL A 115 -0.036 7.096 4.824 1.00 0.00 C ATOM 0 H VAL A 115 1.338 4.700 5.780 1.00 0.00 H new ATOM 0 HA VAL A 115 2.801 7.035 6.794 1.00 0.00 H new ATOM 0 HB VAL A 115 1.293 8.542 5.650 1.00 0.00 H new ATOM 0 HG11 VAL A 115 1.951 8.143 3.306 1.00 0.00 H new ATOM 0 HG12 VAL A 115 3.302 7.864 4.431 1.00 0.00 H new ATOM 0 HG13 VAL A 115 2.427 6.482 3.729 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -0.373 7.748 4.018 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -0.005 6.066 4.468 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.727 7.169 5.664 1.00 0.00 H new ATOM 1809 N ASP A 116 0.746 7.681 8.264 1.00 0.00 N ATOM 1810 CA ASP A 116 -0.204 7.796 9.364 1.00 0.00 C ATOM 1811 C ASP A 116 -1.369 8.699 8.974 1.00 0.00 C ATOM 1812 O ASP A 116 -1.198 9.902 8.782 1.00 0.00 O ATOM 1813 CB ASP A 116 0.487 8.345 10.612 1.00 0.00 C ATOM 1814 CG ASP A 116 1.301 7.289 11.333 1.00 0.00 C ATOM 1815 OD1 ASP A 116 1.912 6.440 10.649 1.00 0.00 O ATOM 1816 OD2 ASP A 116 1.330 7.311 12.581 1.00 0.00 O ATOM 0 H ASP A 116 1.322 8.510 8.118 1.00 0.00 H new ATOM 0 HA ASP A 116 -0.591 6.801 9.585 1.00 0.00 H new ATOM 0 HB2 ASP A 116 1.138 9.172 10.329 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -0.263 8.748 11.292 1.00 0.00 H new ATOM 1821 N ALA A 117 -2.554 8.110 8.857 1.00 0.00 N ATOM 1822 CA ALA A 117 -3.746 8.861 8.487 1.00 0.00 C ATOM 1823 C ALA A 117 -4.114 9.874 9.565 1.00 0.00 C ATOM 1824 O ALA A 117 -4.426 11.027 9.267 1.00 0.00 O ATOM 1825 CB ALA A 117 -4.908 7.915 8.227 1.00 0.00 C ATOM 0 H ALA A 117 -2.714 7.115 9.013 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.529 9.410 7.571 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -5.791 8.491 7.952 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -4.650 7.236 7.414 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -5.117 7.339 9.128 1.00 0.00 H new ATOM 1831 N ASP A 118 -4.075 9.436 10.819 1.00 0.00 N ATOM 1832 CA ASP A 118 -4.404 10.306 11.944 1.00 0.00 C ATOM 1833 C ASP A 118 -3.423 11.471 12.037 1.00 0.00 C ATOM 1834 O ASP A 118 -3.812 12.600 12.335 1.00 0.00 O ATOM 1835 CB ASP A 118 -4.397 9.510 13.250 1.00 0.00 C ATOM 1836 CG ASP A 118 -5.618 9.789 14.104 1.00 0.00 C ATOM 1837 OD1 ASP A 118 -6.720 9.337 13.730 1.00 0.00 O ATOM 1838 OD2 ASP A 118 -5.471 10.460 15.147 1.00 0.00 O ATOM 0 H ASP A 118 -3.819 8.484 11.083 1.00 0.00 H new ATOM 0 HA ASP A 118 -5.403 10.710 11.779 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -4.352 8.445 13.023 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -3.498 9.754 13.816 1.00 0.00 H new ATOM 1843 N SER A 119 -2.149 11.188 11.783 1.00 0.00 N ATOM 1844 CA SER A 119 -1.113 12.211 11.840 1.00 0.00 C ATOM 1845 C SER A 119 -1.148 13.096 10.598 1.00 0.00 C ATOM 1846 O SER A 119 -1.044 14.319 10.693 1.00 0.00 O ATOM 1847 CB SER A 119 0.266 11.563 11.979 1.00 0.00 C ATOM 1848 OG SER A 119 0.228 10.470 12.881 1.00 0.00 O ATOM 0 H SER A 119 -1.810 10.258 11.536 1.00 0.00 H new ATOM 0 HA SER A 119 -1.305 12.835 12.713 1.00 0.00 H new ATOM 0 HB2 SER A 119 0.611 11.221 11.003 1.00 0.00 H new ATOM 0 HB3 SER A 119 0.985 12.303 12.330 1.00 0.00 H new ATOM 0 HG SER A 119 1.121 10.072 12.951 1.00 0.00 H new ATOM 1854 N GLY A 120 -1.294 12.471 9.435 1.00 0.00 N ATOM 1855 CA GLY A 120 -1.340 13.219 8.192 1.00 0.00 C ATOM 1856 C GLY A 120 0.042 13.564 7.671 1.00 0.00 C ATOM 1857 O GLY A 120 0.274 14.674 7.194 1.00 0.00 O ATOM 0 H GLY A 120 -1.381 11.460 9.331 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -1.873 12.637 7.441 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -1.907 14.137 8.345 1.00 0.00 H new ATOM 1861 N ASP A 121 0.962 12.608 7.761 1.00 0.00 N ATOM 1862 CA ASP A 121 2.328 12.816 7.295 1.00 0.00 C ATOM 1863 C ASP A 121 3.044 11.484 7.095 1.00 0.00 C ATOM 1864 O ASP A 121 2.718 10.490 7.743 1.00 0.00 O ATOM 1865 CB ASP A 121 3.103 13.679 8.292 1.00 0.00 C ATOM 1866 CG ASP A 121 2.946 13.195 9.719 1.00 0.00 C ATOM 1867 OD1 ASP A 121 3.478 12.113 10.042 1.00 0.00 O ATOM 1868 OD2 ASP A 121 2.291 13.899 10.516 1.00 0.00 O ATOM 0 H ASP A 121 0.786 11.683 8.152 1.00 0.00 H new ATOM 0 HA ASP A 121 2.283 13.332 6.336 1.00 0.00 H new ATOM 0 HB2 ASP A 121 4.160 13.678 8.025 1.00 0.00 H new ATOM 0 HB3 ASP A 121 2.758 14.710 8.221 1.00 0.00 H new ATOM 1873 N VAL A 122 4.020 11.472 6.193 1.00 0.00 N ATOM 1874 CA VAL A 122 4.782 10.263 5.909 1.00 0.00 C ATOM 1875 C VAL A 122 5.590 9.822 7.125 1.00 0.00 C ATOM 1876 O VAL A 122 6.386 10.590 7.664 1.00 0.00 O ATOM 1877 CB VAL A 122 5.738 10.470 4.720 1.00 0.00 C ATOM 1878 CG1 VAL A 122 6.369 9.149 4.306 1.00 0.00 C ATOM 1879 CG2 VAL A 122 5.006 11.109 3.550 1.00 0.00 C ATOM 0 H VAL A 122 4.301 12.286 5.647 1.00 0.00 H new ATOM 0 HA VAL A 122 4.060 9.487 5.656 1.00 0.00 H new ATOM 0 HB VAL A 122 6.535 11.145 5.032 1.00 0.00 H new ATOM 0 HG11 VAL A 122 7.041 9.315 3.464 1.00 0.00 H new ATOM 0 HG12 VAL A 122 6.931 8.736 5.144 1.00 0.00 H new ATOM 0 HG13 VAL A 122 5.587 8.448 4.013 1.00 0.00 H new ATOM 0 HG21 VAL A 122 5.698 11.247 2.719 1.00 0.00 H new ATOM 0 HG22 VAL A 122 4.187 10.462 3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 122 4.607 12.077 3.855 1.00 0.00 H new ATOM 1889 N VAL A 123 5.376 8.583 7.553 1.00 0.00 N ATOM 1890 CA VAL A 123 6.080 8.041 8.706 1.00 0.00 C ATOM 1891 C VAL A 123 7.173 7.066 8.282 1.00 0.00 C ATOM 1892 O VAL A 123 8.211 6.961 8.936 1.00 0.00 O ATOM 1893 CB VAL A 123 5.114 7.325 9.668 1.00 0.00 C ATOM 1894 CG1 VAL A 123 5.829 6.936 10.954 1.00 0.00 C ATOM 1895 CG2 VAL A 123 3.907 8.204 9.965 1.00 0.00 C ATOM 0 H VAL A 123 4.719 7.935 7.117 1.00 0.00 H new ATOM 0 HA VAL A 123 6.535 8.887 9.221 1.00 0.00 H new ATOM 0 HB VAL A 123 4.761 6.413 9.187 1.00 0.00 H new ATOM 0 HG11 VAL A 123 5.130 6.431 11.621 1.00 0.00 H new ATOM 0 HG12 VAL A 123 6.657 6.266 10.722 1.00 0.00 H new ATOM 0 HG13 VAL A 123 6.213 7.832 11.442 1.00 0.00 H new ATOM 0 HG21 VAL A 123 3.235 7.682 10.646 1.00 0.00 H new ATOM 0 HG22 VAL A 123 4.239 9.135 10.425 1.00 0.00 H new ATOM 0 HG23 VAL A 123 3.381 8.426 9.036 1.00 0.00 H new ATOM 1905 N THR A 124 6.933 6.351 7.188 1.00 0.00 N ATOM 1906 CA THR A 124 7.899 5.383 6.681 1.00 0.00 C ATOM 1907 C THR A 124 8.188 5.637 5.204 1.00 0.00 C ATOM 1908 O THR A 124 7.402 6.280 4.511 1.00 0.00 O ATOM 1909 CB THR A 124 7.382 3.950 6.883 1.00 0.00 C ATOM 1910 OG1 THR A 124 6.900 3.406 5.667 1.00 0.00 O ATOM 1911 CG2 THR A 124 6.265 3.847 7.902 1.00 0.00 C ATOM 0 H THR A 124 6.079 6.423 6.636 1.00 0.00 H new ATOM 0 HA THR A 124 8.827 5.500 7.241 1.00 0.00 H new ATOM 0 HB THR A 124 8.243 3.392 7.252 1.00 0.00 H new ATOM 0 HG1 THR A 124 6.578 2.493 5.822 1.00 0.00 H new ATOM 0 HG21 THR A 124 5.950 2.807 7.993 1.00 0.00 H new ATOM 0 HG22 THR A 124 6.620 4.204 8.869 1.00 0.00 H new ATOM 0 HG23 THR A 124 5.420 4.455 7.579 1.00 0.00 H new ATOM 1919 N THR A 125 9.321 5.130 4.732 1.00 0.00 N ATOM 1920 CA THR A 125 9.711 5.304 3.338 1.00 0.00 C ATOM 1921 C THR A 125 10.675 4.205 2.899 1.00 0.00 C ATOM 1922 O THR A 125 11.638 4.458 2.176 1.00 0.00 O ATOM 1923 CB THR A 125 10.349 6.678 3.136 1.00 0.00 C ATOM 1924 OG1 THR A 125 11.419 6.874 4.044 1.00 0.00 O ATOM 1925 CG2 THR A 125 9.372 7.818 3.323 1.00 0.00 C ATOM 0 H THR A 125 9.985 4.596 5.293 1.00 0.00 H new ATOM 0 HA THR A 125 8.814 5.236 2.722 1.00 0.00 H new ATOM 0 HB THR A 125 10.703 6.686 2.105 1.00 0.00 H new ATOM 0 HG1 THR A 125 11.815 7.758 3.897 1.00 0.00 H new ATOM 0 HG21 THR A 125 9.885 8.767 3.166 1.00 0.00 H new ATOM 0 HG22 THR A 125 8.559 7.722 2.603 1.00 0.00 H new ATOM 0 HG23 THR A 125 8.967 7.788 4.334 1.00 0.00 H new ATOM 1933 N ARG A 126 10.401 2.983 3.341 1.00 0.00 N ATOM 1934 CA ARG A 126 11.230 1.833 2.999 1.00 0.00 C ATOM 1935 C ARG A 126 10.611 0.553 3.549 1.00 0.00 C ATOM 1936 O ARG A 126 11.315 -0.337 4.026 1.00 0.00 O ATOM 1937 CB ARG A 126 12.652 2.015 3.544 1.00 0.00 C ATOM 1938 CG ARG A 126 12.758 1.902 5.059 1.00 0.00 C ATOM 1939 CD ARG A 126 12.521 3.239 5.739 1.00 0.00 C ATOM 1940 NE ARG A 126 13.674 4.129 5.613 1.00 0.00 N ATOM 1941 CZ ARG A 126 13.669 5.407 5.986 1.00 0.00 C ATOM 1942 NH1 ARG A 126 12.576 5.947 6.511 1.00 0.00 N ATOM 1943 NH2 ARG A 126 14.759 6.145 5.834 1.00 0.00 N ATOM 0 H ARG A 126 9.606 2.762 3.941 1.00 0.00 H new ATOM 0 HA ARG A 126 11.284 1.756 1.913 1.00 0.00 H new ATOM 0 HB2 ARG A 126 13.302 1.268 3.089 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.025 2.992 3.237 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.031 1.175 5.422 1.00 0.00 H new ATOM 0 HG3 ARG A 126 13.745 1.527 5.328 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.644 3.717 5.303 1.00 0.00 H new ATOM 0 HD3 ARG A 126 12.303 3.075 6.794 1.00 0.00 H new ATOM 0 HE ARG A 126 14.533 3.748 5.216 1.00 0.00 H new ATOM 0 HH11 ARG A 126 11.735 5.382 6.630 1.00 0.00 H new ATOM 0 HH12 ARG A 126 12.577 6.927 6.795 1.00 0.00 H new ATOM 0 HH21 ARG A 126 15.601 5.734 5.431 1.00 0.00 H new ATOM 0 HH22 ARG A 126 14.756 7.124 6.120 1.00 0.00 H new ATOM 1957 N ALA A 127 9.286 0.474 3.486 1.00 0.00 N ATOM 1958 CA ALA A 127 8.566 -0.688 3.987 1.00 0.00 C ATOM 1959 C ALA A 127 8.750 -1.907 3.091 1.00 0.00 C ATOM 1960 O ALA A 127 8.298 -3.002 3.429 1.00 0.00 O ATOM 1961 CB ALA A 127 7.087 -0.359 4.148 1.00 0.00 C ATOM 0 H ALA A 127 8.690 1.202 3.092 1.00 0.00 H new ATOM 0 HA ALA A 127 8.985 -0.940 4.961 1.00 0.00 H new ATOM 0 HB1 ALA A 127 6.558 -1.235 4.523 1.00 0.00 H new ATOM 0 HB2 ALA A 127 6.972 0.464 4.853 1.00 0.00 H new ATOM 0 HB3 ALA A 127 6.671 -0.070 3.183 1.00 0.00 H new ATOM 1967 N ARG A 128 9.423 -1.729 1.960 1.00 0.00 N ATOM 1968 CA ARG A 128 9.662 -2.838 1.050 1.00 0.00 C ATOM 1969 C ARG A 128 10.532 -3.889 1.728 1.00 0.00 C ATOM 1970 O ARG A 128 10.243 -5.082 1.675 1.00 0.00 O ATOM 1971 CB ARG A 128 10.336 -2.342 -0.231 1.00 0.00 C ATOM 1972 CG ARG A 128 10.525 -3.428 -1.278 1.00 0.00 C ATOM 1973 CD ARG A 128 11.899 -4.068 -1.176 1.00 0.00 C ATOM 1974 NE ARG A 128 12.972 -3.098 -1.386 1.00 0.00 N ATOM 1975 CZ ARG A 128 14.250 -3.430 -1.553 1.00 0.00 C ATOM 1976 NH1 ARG A 128 14.619 -4.704 -1.535 1.00 0.00 N ATOM 1977 NH2 ARG A 128 15.161 -2.484 -1.739 1.00 0.00 N ATOM 0 H ARG A 128 9.809 -0.835 1.655 1.00 0.00 H new ATOM 0 HA ARG A 128 8.704 -3.287 0.786 1.00 0.00 H new ATOM 0 HB2 ARG A 128 9.738 -1.537 -0.658 1.00 0.00 H new ATOM 0 HB3 ARG A 128 11.308 -1.918 0.020 1.00 0.00 H new ATOM 0 HG2 ARG A 128 9.757 -4.191 -1.154 1.00 0.00 H new ATOM 0 HG3 ARG A 128 10.394 -3.002 -2.273 1.00 0.00 H new ATOM 0 HD2 ARG A 128 12.013 -4.528 -0.194 1.00 0.00 H new ATOM 0 HD3 ARG A 128 11.983 -4.866 -1.913 1.00 0.00 H new ATOM 0 HE ARG A 128 12.727 -2.108 -1.406 1.00 0.00 H new ATOM 0 HH11 ARG A 128 13.922 -5.435 -1.393 1.00 0.00 H new ATOM 0 HH12 ARG A 128 15.600 -4.953 -1.664 1.00 0.00 H new ATOM 0 HH21 ARG A 128 14.882 -1.503 -1.754 1.00 0.00 H new ATOM 0 HH22 ARG A 128 16.141 -2.738 -1.867 1.00 0.00 H new ATOM 1991 N ALA A 129 11.603 -3.425 2.366 1.00 0.00 N ATOM 1992 CA ALA A 129 12.530 -4.307 3.064 1.00 0.00 C ATOM 1993 C ALA A 129 12.057 -4.622 4.481 1.00 0.00 C ATOM 1994 O ALA A 129 11.976 -5.783 4.876 1.00 0.00 O ATOM 1995 CB ALA A 129 13.907 -3.667 3.113 1.00 0.00 C ATOM 0 H ALA A 129 11.850 -2.437 2.413 1.00 0.00 H new ATOM 0 HA ALA A 129 12.575 -5.246 2.513 1.00 0.00 H new ATOM 0 HB1 ALA A 129 14.598 -4.329 3.636 1.00 0.00 H new ATOM 0 HB2 ALA A 129 14.265 -3.497 2.098 1.00 0.00 H new ATOM 0 HB3 ALA A 129 13.847 -2.715 3.641 1.00 0.00 H new ATOM 2001 N THR A 130 11.778 -3.573 5.246 1.00 0.00 N ATOM 2002 CA THR A 130 11.351 -3.699 6.619 1.00 0.00 C ATOM 2003 C THR A 130 10.135 -4.593 6.774 1.00 0.00 C ATOM 2004 O THR A 130 9.928 -5.186 7.829 1.00 0.00 O ATOM 2005 CB THR A 130 11.099 -2.311 7.183 1.00 0.00 C ATOM 2006 OG1 THR A 130 10.169 -1.608 6.386 1.00 0.00 O ATOM 2007 CG2 THR A 130 12.356 -1.469 7.268 1.00 0.00 C ATOM 0 H THR A 130 11.845 -2.608 4.921 1.00 0.00 H new ATOM 0 HA THR A 130 12.146 -4.186 7.184 1.00 0.00 H new ATOM 0 HB THR A 130 10.713 -2.471 8.190 1.00 0.00 H new ATOM 0 HG1 THR A 130 10.638 -1.171 5.645 1.00 0.00 H new ATOM 0 HG21 THR A 130 12.111 -0.489 7.678 1.00 0.00 H new ATOM 0 HG22 THR A 130 13.081 -1.962 7.915 1.00 0.00 H new ATOM 0 HG23 THR A 130 12.781 -1.349 6.272 1.00 0.00 H new ATOM 2015 N LEU A 131 9.344 -4.714 5.727 1.00 0.00 N ATOM 2016 CA LEU A 131 8.178 -5.574 5.786 1.00 0.00 C ATOM 2017 C LEU A 131 8.612 -7.034 5.712 1.00 0.00 C ATOM 2018 O LEU A 131 7.985 -7.912 6.303 1.00 0.00 O ATOM 2019 CB LEU A 131 7.211 -5.254 4.644 1.00 0.00 C ATOM 2020 CG LEU A 131 5.956 -6.129 4.598 1.00 0.00 C ATOM 2021 CD1 LEU A 131 4.732 -5.294 4.254 1.00 0.00 C ATOM 2022 CD2 LEU A 131 6.130 -7.258 3.594 1.00 0.00 C ATOM 0 H LEU A 131 9.483 -4.236 4.837 1.00 0.00 H new ATOM 0 HA LEU A 131 7.662 -5.399 6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 131 6.906 -4.211 4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 131 7.742 -5.356 3.698 1.00 0.00 H new ATOM 0 HG LEU A 131 5.806 -6.565 5.586 1.00 0.00 H new ATOM 0 HD11 LEU A 131 3.851 -5.935 4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 131 4.595 -4.521 5.010 1.00 0.00 H new ATOM 0 HD13 LEU A 131 4.872 -4.827 3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 131 5.228 -7.870 3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 131 6.306 -6.840 2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 131 6.981 -7.875 3.884 1.00 0.00 H new ATOM 2034 N VAL A 132 9.697 -7.279 4.980 1.00 0.00 N ATOM 2035 CA VAL A 132 10.234 -8.619 4.819 1.00 0.00 C ATOM 2036 C VAL A 132 11.259 -8.945 5.899 1.00 0.00 C ATOM 2037 O VAL A 132 11.346 -10.077 6.375 1.00 0.00 O ATOM 2038 CB VAL A 132 10.900 -8.802 3.438 1.00 0.00 C ATOM 2039 CG1 VAL A 132 10.416 -10.080 2.770 1.00 0.00 C ATOM 2040 CG2 VAL A 132 10.666 -7.601 2.537 1.00 0.00 C ATOM 0 H VAL A 132 10.222 -6.557 4.487 1.00 0.00 H new ATOM 0 HA VAL A 132 9.387 -9.300 4.906 1.00 0.00 H new ATOM 0 HB VAL A 132 11.975 -8.884 3.602 1.00 0.00 H new ATOM 0 HG11 VAL A 132 10.898 -10.188 1.799 1.00 0.00 H new ATOM 0 HG12 VAL A 132 10.667 -10.936 3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 132 9.335 -10.033 2.635 1.00 0.00 H new ATOM 0 HG21 VAL A 132 11.150 -7.768 1.575 1.00 0.00 H new ATOM 0 HG22 VAL A 132 9.595 -7.463 2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 132 11.084 -6.709 3.004 1.00 0.00 H new ATOM 2050 N LYS A 133 12.068 -7.946 6.236 1.00 0.00 N ATOM 2051 CA LYS A 133 13.138 -8.108 7.209 1.00 0.00 C ATOM 2052 C LYS A 133 12.717 -7.683 8.615 1.00 0.00 C ATOM 2053 O LYS A 133 13.559 -7.395 9.465 1.00 0.00 O ATOM 2054 CB LYS A 133 14.351 -7.303 6.742 1.00 0.00 C ATOM 2055 CG LYS A 133 14.669 -7.494 5.266 1.00 0.00 C ATOM 2056 CD LYS A 133 15.806 -6.589 4.820 1.00 0.00 C ATOM 2057 CE LYS A 133 16.158 -6.814 3.359 1.00 0.00 C ATOM 2058 NZ LYS A 133 17.323 -5.988 2.936 1.00 0.00 N ATOM 0 H LYS A 133 12.000 -7.007 5.844 1.00 0.00 H new ATOM 0 HA LYS A 133 13.389 -9.167 7.271 1.00 0.00 H new ATOM 0 HB2 LYS A 133 14.172 -6.245 6.934 1.00 0.00 H new ATOM 0 HB3 LYS A 133 15.220 -7.592 7.334 1.00 0.00 H new ATOM 0 HG2 LYS A 133 14.937 -8.534 5.082 1.00 0.00 H new ATOM 0 HG3 LYS A 133 13.780 -7.284 4.671 1.00 0.00 H new ATOM 0 HD2 LYS A 133 15.523 -5.547 4.971 1.00 0.00 H new ATOM 0 HD3 LYS A 133 16.684 -6.774 5.439 1.00 0.00 H new ATOM 0 HE2 LYS A 133 16.383 -7.868 3.198 1.00 0.00 H new ATOM 0 HE3 LYS A 133 15.296 -6.573 2.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 17.532 -6.170 1.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 17.100 -4.981 3.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 18.152 -6.236 3.513 1.00 0.00 H new ATOM 2072 N ASP A 134 11.413 -7.663 8.856 1.00 0.00 N ATOM 2073 CA ASP A 134 10.876 -7.295 10.164 1.00 0.00 C ATOM 2074 C ASP A 134 9.550 -8.007 10.415 1.00 0.00 C ATOM 2075 O ASP A 134 8.495 -7.376 10.481 1.00 0.00 O ATOM 2076 CB ASP A 134 10.692 -5.780 10.269 1.00 0.00 C ATOM 2077 CG ASP A 134 11.012 -5.253 11.654 1.00 0.00 C ATOM 2078 OD1 ASP A 134 12.210 -5.161 11.992 1.00 0.00 O ATOM 2079 OD2 ASP A 134 10.063 -4.934 12.400 1.00 0.00 O ATOM 0 H ASP A 134 10.703 -7.898 8.162 1.00 0.00 H new ATOM 0 HA ASP A 134 11.591 -7.608 10.925 1.00 0.00 H new ATOM 0 HB2 ASP A 134 11.334 -5.287 9.539 1.00 0.00 H new ATOM 0 HB3 ASP A 134 9.664 -5.523 10.014 1.00 0.00 H new ATOM 2084 N PRO A 135 9.591 -9.344 10.554 1.00 0.00 N ATOM 2085 CA PRO A 135 8.398 -10.155 10.792 1.00 0.00 C ATOM 2086 C PRO A 135 7.993 -10.201 12.263 1.00 0.00 C ATOM 2087 O PRO A 135 7.176 -11.032 12.661 1.00 0.00 O ATOM 2088 CB PRO A 135 8.835 -11.536 10.315 1.00 0.00 C ATOM 2089 CG PRO A 135 10.294 -11.588 10.614 1.00 0.00 C ATOM 2090 CD PRO A 135 10.810 -10.176 10.479 1.00 0.00 C ATOM 0 HA PRO A 135 7.522 -9.756 10.281 1.00 0.00 H new ATOM 0 HB2 PRO A 135 8.294 -12.326 10.837 1.00 0.00 H new ATOM 0 HB3 PRO A 135 8.643 -11.668 9.250 1.00 0.00 H new ATOM 0 HG2 PRO A 135 10.471 -11.971 11.619 1.00 0.00 H new ATOM 0 HG3 PRO A 135 10.808 -12.256 9.923 1.00 0.00 H new ATOM 0 HD2 PRO A 135 11.512 -9.929 11.276 1.00 0.00 H new ATOM 0 HD3 PRO A 135 11.335 -10.031 9.535 1.00 0.00 H new ATOM 2098 N GLU A 136 8.558 -9.306 13.070 1.00 0.00 N ATOM 2099 CA GLU A 136 8.238 -9.254 14.487 1.00 0.00 C ATOM 2100 C GLU A 136 7.262 -8.120 14.767 1.00 0.00 C ATOM 2101 O GLU A 136 6.519 -8.153 15.748 1.00 0.00 O ATOM 2102 CB GLU A 136 9.511 -9.067 15.315 1.00 0.00 C ATOM 2103 CG GLU A 136 10.532 -10.176 15.120 1.00 0.00 C ATOM 2104 CD GLU A 136 11.877 -9.843 15.736 1.00 0.00 C ATOM 2105 OE1 GLU A 136 11.992 -9.900 16.979 1.00 0.00 O ATOM 2106 OE2 GLU A 136 12.816 -9.527 14.975 1.00 0.00 O ATOM 0 H GLU A 136 9.238 -8.610 12.764 1.00 0.00 H new ATOM 0 HA GLU A 136 7.772 -10.198 14.770 1.00 0.00 H new ATOM 0 HB2 GLU A 136 9.968 -8.113 15.052 1.00 0.00 H new ATOM 0 HB3 GLU A 136 9.243 -9.012 16.370 1.00 0.00 H new ATOM 0 HG2 GLU A 136 10.152 -11.097 15.562 1.00 0.00 H new ATOM 0 HG3 GLU A 136 10.661 -10.363 14.054 1.00 0.00 H new ATOM 2113 N GLY A 137 7.271 -7.113 13.897 1.00 0.00 N ATOM 2114 CA GLY A 137 6.385 -5.983 14.070 1.00 0.00 C ATOM 2115 C GLY A 137 6.723 -5.185 15.309 1.00 0.00 C ATOM 2116 O GLY A 137 5.850 -4.574 15.925 1.00 0.00 O ATOM 0 H GLY A 137 7.876 -7.063 13.078 1.00 0.00 H new ATOM 0 HA2 GLY A 137 6.446 -5.337 13.194 1.00 0.00 H new ATOM 0 HA3 GLY A 137 5.356 -6.336 14.135 1.00 0.00 H new ATOM 2120 N GLU A 138 7.999 -5.197 15.675 1.00 0.00 N ATOM 2121 CA GLU A 138 8.464 -4.474 16.854 1.00 0.00 C ATOM 2122 C GLU A 138 8.511 -2.973 16.591 1.00 0.00 C ATOM 2123 O GLU A 138 8.404 -2.167 17.514 1.00 0.00 O ATOM 2124 CB GLU A 138 9.850 -4.967 17.272 1.00 0.00 C ATOM 2125 CG GLU A 138 9.957 -6.479 17.369 1.00 0.00 C ATOM 2126 CD GLU A 138 10.723 -6.933 18.596 1.00 0.00 C ATOM 2127 OE1 GLU A 138 11.922 -6.600 18.703 1.00 0.00 O ATOM 2128 OE2 GLU A 138 10.125 -7.621 19.449 1.00 0.00 O ATOM 0 H GLU A 138 8.731 -5.699 15.173 1.00 0.00 H new ATOM 0 HA GLU A 138 7.758 -4.664 17.662 1.00 0.00 H new ATOM 0 HB2 GLU A 138 10.586 -4.605 16.554 1.00 0.00 H new ATOM 0 HB3 GLU A 138 10.105 -4.531 18.238 1.00 0.00 H new ATOM 0 HG2 GLU A 138 8.956 -6.909 17.391 1.00 0.00 H new ATOM 0 HG3 GLU A 138 10.450 -6.863 16.475 1.00 0.00 H new ATOM 2135 N GLN A 139 8.681 -2.606 15.326 1.00 0.00 N ATOM 2136 CA GLN A 139 8.753 -1.202 14.941 1.00 0.00 C ATOM 2137 C GLN A 139 7.858 -0.924 13.744 1.00 0.00 C ATOM 2138 O GLN A 139 8.185 -0.083 12.917 1.00 0.00 O ATOM 2139 CB GLN A 139 10.188 -0.827 14.562 1.00 0.00 C ATOM 2140 CG GLN A 139 11.266 -1.689 15.198 1.00 0.00 C ATOM 2141 CD GLN A 139 12.473 -0.883 15.635 1.00 0.00 C ATOM 2142 OE1 GLN A 139 13.216 -0.358 14.806 1.00 0.00 O ATOM 2143 NE2 GLN A 139 12.676 -0.783 16.943 1.00 0.00 N ATOM 0 H GLN A 139 8.772 -3.261 14.550 1.00 0.00 H new ATOM 0 HA GLN A 139 8.422 -0.610 15.794 1.00 0.00 H new ATOM 0 HB2 GLN A 139 10.289 -0.886 13.478 1.00 0.00 H new ATOM 0 HB3 GLN A 139 10.362 0.212 14.842 1.00 0.00 H new ATOM 0 HG2 GLN A 139 10.849 -2.209 16.061 1.00 0.00 H new ATOM 0 HG3 GLN A 139 11.582 -2.453 14.488 1.00 0.00 H new ATOM 0 HE21 GLN A 139 12.034 -1.235 17.595 1.00 0.00 H new ATOM 0 HE22 GLN A 139 13.474 -0.255 17.296 1.00 0.00 H new ATOM 2152 N PHE A 140 6.749 -1.651 13.643 1.00 0.00 N ATOM 2153 CA PHE A 140 5.824 -1.510 12.514 1.00 0.00 C ATOM 2154 C PHE A 140 5.804 -0.119 11.885 1.00 0.00 C ATOM 2155 O PHE A 140 5.901 -0.016 10.662 1.00 0.00 O ATOM 2156 CB PHE A 140 4.423 -1.992 12.873 1.00 0.00 C ATOM 2157 CG PHE A 140 3.776 -1.261 14.014 1.00 0.00 C ATOM 2158 CD1 PHE A 140 4.239 -1.418 15.310 1.00 0.00 C ATOM 2159 CD2 PHE A 140 2.701 -0.417 13.787 1.00 0.00 C ATOM 2160 CE1 PHE A 140 3.642 -0.744 16.360 1.00 0.00 C ATOM 2161 CE2 PHE A 140 2.100 0.260 14.832 1.00 0.00 C ATOM 2162 CZ PHE A 140 2.572 0.096 16.121 1.00 0.00 C ATOM 0 H PHE A 140 6.465 -2.348 14.331 1.00 0.00 H new ATOM 0 HA PHE A 140 6.219 -2.164 11.736 1.00 0.00 H new ATOM 0 HB2 PHE A 140 3.786 -1.899 11.993 1.00 0.00 H new ATOM 0 HB3 PHE A 140 4.472 -3.052 13.121 1.00 0.00 H new ATOM 0 HD1 PHE A 140 5.075 -2.074 15.503 1.00 0.00 H new ATOM 0 HD2 PHE A 140 2.328 -0.286 12.782 1.00 0.00 H new ATOM 0 HE1 PHE A 140 4.012 -0.874 17.366 1.00 0.00 H new ATOM 0 HE2 PHE A 140 1.263 0.916 14.642 1.00 0.00 H new ATOM 0 HZ PHE A 140 2.105 0.624 16.939 1.00 0.00 H new ATOM 2172 N PRO A 141 5.723 0.980 12.656 1.00 0.00 N ATOM 2173 CA PRO A 141 5.752 2.313 12.052 1.00 0.00 C ATOM 2174 C PRO A 141 7.065 2.561 11.302 1.00 0.00 C ATOM 2175 O PRO A 141 7.299 3.662 10.806 1.00 0.00 O ATOM 2176 CB PRO A 141 5.633 3.262 13.248 1.00 0.00 C ATOM 2177 CG PRO A 141 6.073 2.453 14.420 1.00 0.00 C ATOM 2178 CD PRO A 141 5.636 1.047 14.128 1.00 0.00 C ATOM 0 HA PRO A 141 4.959 2.448 11.317 1.00 0.00 H new ATOM 0 HB2 PRO A 141 6.261 4.144 13.118 1.00 0.00 H new ATOM 0 HB3 PRO A 141 4.609 3.615 13.373 1.00 0.00 H new ATOM 0 HG2 PRO A 141 7.154 2.508 14.551 1.00 0.00 H new ATOM 0 HG3 PRO A 141 5.621 2.820 15.341 1.00 0.00 H new ATOM 0 HD2 PRO A 141 6.285 0.314 14.606 1.00 0.00 H new ATOM 0 HD3 PRO A 141 4.623 0.856 14.483 1.00 0.00 H new ATOM 2186 N TRP A 142 7.916 1.517 11.237 1.00 0.00 N ATOM 2187 CA TRP A 142 9.225 1.560 10.568 1.00 0.00 C ATOM 2188 C TRP A 142 9.590 2.957 10.076 1.00 0.00 C ATOM 2189 O TRP A 142 9.707 3.199 8.874 1.00 0.00 O ATOM 2190 CB TRP A 142 9.261 0.559 9.410 1.00 0.00 C ATOM 2191 CG TRP A 142 8.535 -0.720 9.707 1.00 0.00 C ATOM 2192 CD1 TRP A 142 8.680 -1.515 10.814 1.00 0.00 C ATOM 2193 CD2 TRP A 142 7.550 -1.356 8.885 1.00 0.00 C ATOM 2194 NE1 TRP A 142 7.820 -2.585 10.740 1.00 0.00 N ATOM 2195 CE2 TRP A 142 7.125 -2.516 9.561 1.00 0.00 C ATOM 2196 CE3 TRP A 142 6.980 -1.053 7.645 1.00 0.00 C ATOM 2197 CZ2 TRP A 142 6.157 -3.370 9.038 1.00 0.00 C ATOM 2198 CZ3 TRP A 142 6.021 -1.903 7.127 1.00 0.00 C ATOM 2199 CH2 TRP A 142 5.618 -3.050 7.822 1.00 0.00 C ATOM 0 H TRP A 142 7.707 0.610 11.654 1.00 0.00 H new ATOM 0 HA TRP A 142 9.972 1.283 11.311 1.00 0.00 H new ATOM 0 HB2 TRP A 142 8.822 1.021 8.526 1.00 0.00 H new ATOM 0 HB3 TRP A 142 10.299 0.331 9.168 1.00 0.00 H new ATOM 0 HD1 TRP A 142 9.368 -1.328 11.625 1.00 0.00 H new ATOM 0 HE1 TRP A 142 7.716 -3.312 11.448 1.00 0.00 H new ATOM 0 HE3 TRP A 142 7.284 -0.170 7.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 5.843 -4.254 9.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 5.575 -1.679 6.169 1.00 0.00 H new ATOM 0 HH2 TRP A 142 4.867 -3.695 7.390 1.00 0.00 H new ATOM 2210 N LYS A 143 9.770 3.869 11.023 1.00 0.00 N ATOM 2211 CA LYS A 143 10.123 5.247 10.707 1.00 0.00 C ATOM 2212 C LYS A 143 11.638 5.425 10.665 1.00 0.00 C ATOM 2213 O LYS A 143 12.391 4.472 10.872 1.00 0.00 O ATOM 2214 CB LYS A 143 9.515 6.201 11.736 1.00 0.00 C ATOM 2215 CG LYS A 143 10.053 5.999 13.144 1.00 0.00 C ATOM 2216 CD LYS A 143 10.221 7.323 13.871 1.00 0.00 C ATOM 2217 CE LYS A 143 9.006 7.648 14.724 1.00 0.00 C ATOM 2218 NZ LYS A 143 9.214 7.281 16.153 1.00 0.00 N ATOM 0 H LYS A 143 9.677 3.678 12.021 1.00 0.00 H new ATOM 0 HA LYS A 143 9.720 5.481 9.722 1.00 0.00 H new ATOM 0 HB2 LYS A 143 9.708 7.228 11.426 1.00 0.00 H new ATOM 0 HB3 LYS A 143 8.433 6.069 11.747 1.00 0.00 H new ATOM 0 HG2 LYS A 143 9.374 5.358 13.706 1.00 0.00 H new ATOM 0 HG3 LYS A 143 11.012 5.484 13.098 1.00 0.00 H new ATOM 0 HD2 LYS A 143 11.109 7.283 14.501 1.00 0.00 H new ATOM 0 HD3 LYS A 143 10.381 8.120 13.145 1.00 0.00 H new ATOM 0 HE2 LYS A 143 8.786 8.713 14.651 1.00 0.00 H new ATOM 0 HE3 LYS A 143 8.137 7.116 14.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 8.362 7.519 16.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 9.398 6.260 16.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 10.027 7.807 16.532 1.00 0.00 H new