USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 914 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 Single : A 6 SER OG : rot 148:sc= 1.05 USER MOD Single : A 7 THR OG1 : rot -71:sc= 1.14 USER MOD Single : A 8 THR OG1 : rot -105:sc= 1.3 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc=-0.000636 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.376 K(o=-0.38,f=-1) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -139:sc= 0.47 (180deg=0.155) USER MOD Single : A 33 LYS NZ :NH3+ 170:sc=-0.00566 (180deg=-0.0946) USER MOD Single : A 34 LYS NZ :NH3+ 164:sc= -0.0585 (180deg=-0.335) USER MOD Single : A 42 THR OG1 : rot 91:sc= 1.27 USER MOD Single : A 43 THR OG1 : rot 74:sc= 0.773 USER MOD Single : A 44 MET CE :methyl -129:sc= 0 (180deg=-1.34) USER MOD Single : A 46 TYR OH : rot 79:sc= -2.29! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN :FLIP amide:sc=-0.00257 F(o=-0.7,f=-0.0026) USER MOD Single : A 53 LYS NZ :NH3+ -166:sc= 1.22 (180deg=1.04) USER MOD Single : A 54 MET CE :methyl -163:sc= -0.172 (180deg=-0.504) USER MOD Single : A 55 GLN : amide:sc= -0.39 K(o=-0.39,f=-0.98) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.695 K(o=0.69,f=-0.9) USER MOD Single : A 70 HIS :FLIP no HE2:sc= 0.194 F(o=-0.72,f=0.19) USER MOD Single : A 71 GLN : amide:sc= -0.0301 K(o=-0.03,f=-0.66) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot 84:sc= 0.445 USER MOD Single : A 87 LYS NZ :NH3+ 152:sc= 1.27 (180deg=1.05) USER MOD Single : A 91 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.049) USER MOD Single : A 92 ASN : amide:sc= -0.0215 K(o=-0.022,f=-3.7!) USER MOD Single : A 93 THR OG1 : rot -96:sc= 0.681 USER MOD Single : A 95 ASN : amide:sc= -0.0359 K(o=-0.036,f=-1.7!) USER MOD Single : A 96 ASN : amide:sc= -0.966! C(o=-0.97!,f=-2.8!) USER MOD Single : A 99 HIS : no HD1:sc= -0.308 X(o=-0.31,f=0.045) USER MOD Single : A 106 LYS NZ :NH3+ 148:sc= 1.27 (180deg=1.16) USER MOD Single : A 109 GLN : amide:sc= -0.162 K(o=-0.16,f=-2.3!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0.042) USER MOD Single : A 112 ASN : amide:sc= 0.558 K(o=0.56,f=-0.35) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ -151:sc= 0.664 (180deg=0.237) USER MOD Single : A 119 SER OG : rot 64:sc= -0.463 USER MOD Single : A 121 LYS NZ :NH3+ -147:sc= -0.703 (180deg=-2.33!) USER MOD ----------------------------------------------------------------- ATOM 85 N SER A 6 6.746 9.198 -5.637 1.00 0.00 N ATOM 86 CA SER A 6 5.385 9.604 -5.329 1.00 0.00 C ATOM 87 C SER A 6 5.343 10.343 -3.993 1.00 0.00 C ATOM 88 O SER A 6 5.464 9.735 -2.928 1.00 0.00 O ATOM 89 CB SER A 6 4.473 8.378 -5.310 1.00 0.00 C ATOM 90 OG SER A 6 4.536 7.691 -6.552 1.00 0.00 O ATOM 0 HA SER A 6 5.028 10.287 -6.100 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.770 7.709 -4.502 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.446 8.684 -5.109 1.00 0.00 H new ATOM 0 HG SER A 6 4.405 6.731 -6.402 1.00 0.00 H new ATOM 96 N THR A 7 5.197 11.659 -4.061 1.00 0.00 N ATOM 97 CA THR A 7 5.244 12.495 -2.875 1.00 0.00 C ATOM 98 C THR A 7 3.878 12.592 -2.204 1.00 0.00 C ATOM 99 O THR A 7 2.894 12.038 -2.700 1.00 0.00 O ATOM 100 CB THR A 7 5.746 13.914 -3.218 1.00 0.00 C ATOM 101 OG1 THR A 7 4.855 14.544 -4.151 1.00 0.00 O ATOM 102 CG2 THR A 7 7.146 13.865 -3.809 1.00 0.00 C ATOM 0 H THR A 7 5.044 12.170 -4.930 1.00 0.00 H new ATOM 0 HA THR A 7 5.941 12.024 -2.182 1.00 0.00 H new ATOM 0 HB THR A 7 5.774 14.493 -2.295 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.950 14.121 -5.030 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.478 14.877 -4.043 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.830 13.416 -3.088 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.135 13.267 -4.720 1.00 0.00 H new ATOM 110 N THR A 8 3.820 13.298 -1.084 1.00 0.00 N ATOM 111 CA THR A 8 2.577 13.514 -0.372 1.00 0.00 C ATOM 112 C THR A 8 1.582 14.241 -1.273 1.00 0.00 C ATOM 113 O THR A 8 0.396 13.905 -1.320 1.00 0.00 O ATOM 114 CB THR A 8 2.844 14.355 0.883 1.00 0.00 C ATOM 115 OG1 THR A 8 4.220 14.206 1.265 1.00 0.00 O ATOM 116 CG2 THR A 8 1.943 13.928 2.029 1.00 0.00 C ATOM 0 H THR A 8 4.632 13.734 -0.648 1.00 0.00 H new ATOM 0 HA THR A 8 2.158 12.550 -0.082 1.00 0.00 H new ATOM 0 HB THR A 8 2.630 15.399 0.656 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.280 13.623 2.050 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.154 14.541 2.905 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.900 14.056 1.739 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.128 12.880 2.266 1.00 0.00 H new ATOM 124 N GLU A 9 2.101 15.223 -2.002 1.00 0.00 N ATOM 125 CA GLU A 9 1.323 15.996 -2.959 1.00 0.00 C ATOM 126 C GLU A 9 0.623 15.079 -3.957 1.00 0.00 C ATOM 127 O GLU A 9 -0.564 15.238 -4.242 1.00 0.00 O ATOM 128 CB GLU A 9 2.245 16.968 -3.699 1.00 0.00 C ATOM 129 CG GLU A 9 1.526 17.922 -4.635 1.00 0.00 C ATOM 130 CD GLU A 9 0.659 18.912 -3.892 1.00 0.00 C ATOM 131 OE1 GLU A 9 -0.438 19.232 -4.390 1.00 0.00 O ATOM 132 OE2 GLU A 9 1.071 19.375 -2.807 1.00 0.00 O ATOM 0 H GLU A 9 3.079 15.506 -1.944 1.00 0.00 H new ATOM 0 HA GLU A 9 0.560 16.556 -2.418 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.804 17.549 -2.966 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.973 16.394 -4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.260 18.463 -5.233 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.909 17.351 -5.328 1.00 0.00 H new ATOM 139 N ASP A 10 1.364 14.105 -4.469 1.00 0.00 N ATOM 140 CA ASP A 10 0.823 13.175 -5.448 1.00 0.00 C ATOM 141 C ASP A 10 -0.203 12.266 -4.797 1.00 0.00 C ATOM 142 O ASP A 10 -1.247 11.982 -5.379 1.00 0.00 O ATOM 143 CB ASP A 10 1.924 12.326 -6.090 1.00 0.00 C ATOM 144 CG ASP A 10 3.025 13.156 -6.714 1.00 0.00 C ATOM 145 OD1 ASP A 10 4.156 13.138 -6.180 1.00 0.00 O ATOM 146 OD2 ASP A 10 2.773 13.832 -7.738 1.00 0.00 O ATOM 0 H ASP A 10 2.340 13.940 -4.222 1.00 0.00 H new ATOM 0 HA ASP A 10 0.347 13.765 -6.231 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.356 11.670 -5.334 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.482 11.686 -6.854 1.00 0.00 H new ATOM 151 N LEU A 11 0.086 11.831 -3.576 1.00 0.00 N ATOM 152 CA LEU A 11 -0.785 10.900 -2.872 1.00 0.00 C ATOM 153 C LEU A 11 -2.139 11.536 -2.566 1.00 0.00 C ATOM 154 O LEU A 11 -3.179 10.884 -2.666 1.00 0.00 O ATOM 155 CB LEU A 11 -0.116 10.396 -1.588 1.00 0.00 C ATOM 156 CG LEU A 11 -0.939 9.378 -0.799 1.00 0.00 C ATOM 157 CD1 LEU A 11 -1.124 8.109 -1.613 1.00 0.00 C ATOM 158 CD2 LEU A 11 -0.278 9.064 0.534 1.00 0.00 C ATOM 0 H LEU A 11 0.917 12.109 -3.054 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.959 10.044 -3.525 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.843 9.947 -1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.095 11.250 -0.944 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.919 9.811 -0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.712 7.392 -1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.644 8.345 -2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.149 7.678 -1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.882 8.337 1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.716 8.652 0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.193 9.978 1.122 1.00 0.00 H new ATOM 170 N GLN A 12 -2.133 12.824 -2.230 1.00 0.00 N ATOM 171 CA GLN A 12 -3.371 13.532 -1.927 1.00 0.00 C ATOM 172 C GLN A 12 -4.189 13.731 -3.197 1.00 0.00 C ATOM 173 O GLN A 12 -5.409 13.885 -3.152 1.00 0.00 O ATOM 174 CB GLN A 12 -3.091 14.886 -1.265 1.00 0.00 C ATOM 175 CG GLN A 12 -2.307 14.800 0.038 1.00 0.00 C ATOM 176 CD GLN A 12 -2.396 16.075 0.857 1.00 0.00 C ATOM 177 OE1 GLN A 12 -3.285 16.222 1.698 1.00 0.00 O ATOM 178 NE2 GLN A 12 -1.481 17.003 0.623 1.00 0.00 N ATOM 0 H GLN A 12 -1.290 13.394 -2.161 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.941 12.924 -1.225 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.539 15.512 -1.966 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.040 15.385 -1.071 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.683 13.965 0.630 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.261 14.588 -0.185 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.761 16.843 -0.082 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.496 17.878 1.148 1.00 0.00 H new ATOM 187 N ARG A 13 -3.502 13.706 -4.327 1.00 0.00 N ATOM 188 CA ARG A 13 -4.137 13.850 -5.627 1.00 0.00 C ATOM 189 C ARG A 13 -4.855 12.561 -6.014 1.00 0.00 C ATOM 190 O ARG A 13 -6.038 12.573 -6.363 1.00 0.00 O ATOM 191 CB ARG A 13 -3.077 14.190 -6.669 1.00 0.00 C ATOM 192 CG ARG A 13 -3.629 14.458 -8.056 1.00 0.00 C ATOM 193 CD ARG A 13 -2.503 14.695 -9.049 1.00 0.00 C ATOM 194 NE ARG A 13 -1.527 15.662 -8.548 1.00 0.00 N ATOM 195 CZ ARG A 13 -0.230 15.397 -8.371 1.00 0.00 C ATOM 196 NH1 ARG A 13 0.268 14.212 -8.707 1.00 0.00 N ATOM 197 NH2 ARG A 13 0.574 16.323 -7.870 1.00 0.00 N ATOM 0 H ARG A 13 -2.490 13.586 -4.369 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.873 14.653 -5.579 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.524 15.068 -6.335 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.364 13.367 -6.727 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.234 13.612 -8.381 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.285 15.328 -8.029 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.002 13.751 -9.261 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.919 15.054 -9.990 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.858 16.599 -8.319 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.341 13.497 -9.103 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.260 14.018 -8.569 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.203 17.239 -7.619 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.564 16.120 -7.735 1.00 0.00 H new ATOM 211 N TYR A 14 -4.133 11.446 -5.929 1.00 0.00 N ATOM 212 CA TYR A 14 -4.670 10.142 -6.305 1.00 0.00 C ATOM 213 C TYR A 14 -5.853 9.769 -5.428 1.00 0.00 C ATOM 214 O TYR A 14 -6.765 9.072 -5.871 1.00 0.00 O ATOM 215 CB TYR A 14 -3.601 9.054 -6.195 1.00 0.00 C ATOM 216 CG TYR A 14 -2.313 9.373 -6.925 1.00 0.00 C ATOM 217 CD1 TYR A 14 -2.334 9.947 -8.191 1.00 0.00 C ATOM 218 CD2 TYR A 14 -1.078 9.091 -6.355 1.00 0.00 C ATOM 219 CE1 TYR A 14 -1.163 10.234 -8.864 1.00 0.00 C ATOM 220 CE2 TYR A 14 0.097 9.376 -7.023 1.00 0.00 C ATOM 221 CZ TYR A 14 0.049 9.947 -8.276 1.00 0.00 C ATOM 222 OH TYR A 14 1.219 10.235 -8.943 1.00 0.00 O ATOM 0 H TYR A 14 -3.168 11.421 -5.600 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.999 10.215 -7.341 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -3.376 8.886 -5.142 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -4.006 8.121 -6.587 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.282 10.172 -8.656 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.036 8.642 -5.374 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.197 10.681 -9.846 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.049 9.152 -6.565 1.00 0.00 H new ATOM 0 HH TYR A 14 1.984 9.972 -8.390 1.00 0.00 H new ATOM 232 N ARG A 15 -5.830 10.240 -4.184 1.00 0.00 N ATOM 233 CA ARG A 15 -6.916 9.996 -3.245 1.00 0.00 C ATOM 234 C ARG A 15 -8.258 10.396 -3.846 1.00 0.00 C ATOM 235 O ARG A 15 -9.227 9.649 -3.775 1.00 0.00 O ATOM 236 CB ARG A 15 -6.674 10.762 -1.939 1.00 0.00 C ATOM 237 CG ARG A 15 -5.992 9.940 -0.858 1.00 0.00 C ATOM 238 CD ARG A 15 -6.056 10.621 0.504 1.00 0.00 C ATOM 239 NE ARG A 15 -5.565 9.741 1.557 1.00 0.00 N ATOM 240 CZ ARG A 15 -5.143 10.140 2.752 1.00 0.00 C ATOM 241 NH1 ARG A 15 -5.075 11.433 3.047 1.00 0.00 N ATOM 242 NH2 ARG A 15 -4.765 9.236 3.645 1.00 0.00 N ATOM 0 H ARG A 15 -5.065 10.796 -3.803 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.942 8.928 -3.030 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.064 11.640 -2.152 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.630 11.122 -1.559 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.465 8.960 -0.796 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.950 9.774 -1.132 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.463 11.535 0.485 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.084 10.912 0.720 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.544 8.740 1.361 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.348 12.129 2.354 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.750 11.730 3.967 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.800 8.244 3.412 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.440 9.533 4.565 1.00 0.00 H new ATOM 256 N THR A 16 -8.290 11.566 -4.466 1.00 0.00 N ATOM 257 CA THR A 16 -9.503 12.092 -5.067 1.00 0.00 C ATOM 258 C THR A 16 -9.993 11.213 -6.215 1.00 0.00 C ATOM 259 O THR A 16 -11.154 10.793 -6.235 1.00 0.00 O ATOM 260 CB THR A 16 -9.257 13.523 -5.583 1.00 0.00 C ATOM 261 OG1 THR A 16 -9.200 14.438 -4.478 1.00 0.00 O ATOM 262 CG2 THR A 16 -10.328 13.958 -6.573 1.00 0.00 C ATOM 0 H THR A 16 -7.478 12.175 -4.566 1.00 0.00 H new ATOM 0 HA THR A 16 -10.274 12.103 -4.297 1.00 0.00 H new ATOM 0 HB THR A 16 -8.302 13.529 -6.109 1.00 0.00 H new ATOM 0 HG1 THR A 16 -9.042 15.345 -4.813 1.00 0.00 H new ATOM 0 HG21 THR A 16 -10.119 14.972 -6.913 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.330 13.282 -7.428 1.00 0.00 H new ATOM 0 HG23 THR A 16 -11.304 13.932 -6.088 1.00 0.00 H new ATOM 270 N GLU A 17 -9.103 10.928 -7.157 1.00 0.00 N ATOM 271 CA GLU A 17 -9.478 10.196 -8.359 1.00 0.00 C ATOM 272 C GLU A 17 -9.986 8.801 -8.006 1.00 0.00 C ATOM 273 O GLU A 17 -10.980 8.337 -8.561 1.00 0.00 O ATOM 274 CB GLU A 17 -8.302 10.096 -9.340 1.00 0.00 C ATOM 275 CG GLU A 17 -7.402 11.320 -9.350 1.00 0.00 C ATOM 276 CD GLU A 17 -6.385 11.280 -10.472 1.00 0.00 C ATOM 277 OE1 GLU A 17 -6.546 12.040 -11.452 1.00 0.00 O ATOM 278 OE2 GLU A 17 -5.427 10.486 -10.388 1.00 0.00 O ATOM 0 H GLU A 17 -8.119 11.192 -7.112 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.281 10.750 -8.844 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.705 9.220 -9.087 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.693 9.936 -10.345 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.014 12.217 -9.450 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.882 11.393 -8.395 1.00 0.00 H new ATOM 285 N CYS A 18 -9.325 8.148 -7.057 1.00 0.00 N ATOM 286 CA CYS A 18 -9.724 6.811 -6.643 1.00 0.00 C ATOM 287 C CYS A 18 -11.039 6.856 -5.877 1.00 0.00 C ATOM 288 O CYS A 18 -11.873 5.960 -6.003 1.00 0.00 O ATOM 289 CB CYS A 18 -8.633 6.159 -5.794 1.00 0.00 C ATOM 290 SG CYS A 18 -7.058 5.925 -6.680 1.00 0.00 S ATOM 0 H CYS A 18 -8.515 8.522 -6.563 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.868 6.207 -7.539 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.456 6.774 -4.912 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.989 5.191 -5.442 1.00 0.00 H new ATOM 295 N VAL A 19 -11.237 7.920 -5.109 1.00 0.00 N ATOM 296 CA VAL A 19 -12.461 8.094 -4.349 1.00 0.00 C ATOM 297 C VAL A 19 -13.651 8.298 -5.277 1.00 0.00 C ATOM 298 O VAL A 19 -14.644 7.572 -5.203 1.00 0.00 O ATOM 299 CB VAL A 19 -12.352 9.267 -3.344 1.00 0.00 C ATOM 300 CG1 VAL A 19 -13.723 9.820 -2.989 1.00 0.00 C ATOM 301 CG2 VAL A 19 -11.633 8.805 -2.087 1.00 0.00 C ATOM 0 H VAL A 19 -10.561 8.676 -4.998 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.618 7.180 -3.776 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.780 10.066 -3.815 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.612 10.642 -2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -14.214 10.182 -3.892 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -14.327 9.033 -2.538 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.560 9.635 -1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.191 7.989 -1.628 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.632 8.460 -2.346 1.00 0.00 H new ATOM 311 N SER A 20 -13.527 9.266 -6.167 1.00 0.00 N ATOM 312 CA SER A 20 -14.606 9.616 -7.073 1.00 0.00 C ATOM 313 C SER A 20 -14.908 8.476 -8.053 1.00 0.00 C ATOM 314 O SER A 20 -16.070 8.193 -8.346 1.00 0.00 O ATOM 315 CB SER A 20 -14.240 10.896 -7.826 1.00 0.00 C ATOM 316 OG SER A 20 -15.325 11.367 -8.609 1.00 0.00 O ATOM 0 H SER A 20 -12.683 9.827 -6.282 1.00 0.00 H new ATOM 0 HA SER A 20 -15.510 9.786 -6.489 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.943 11.666 -7.114 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.380 10.708 -8.469 1.00 0.00 H new ATOM 0 HG SER A 20 -15.060 12.187 -9.076 1.00 0.00 H new ATOM 322 N SER A 21 -13.865 7.805 -8.535 1.00 0.00 N ATOM 323 CA SER A 21 -14.029 6.752 -9.532 1.00 0.00 C ATOM 324 C SER A 21 -14.639 5.496 -8.914 1.00 0.00 C ATOM 325 O SER A 21 -15.544 4.891 -9.490 1.00 0.00 O ATOM 326 CB SER A 21 -12.678 6.419 -10.170 1.00 0.00 C ATOM 327 OG SER A 21 -12.809 5.438 -11.186 1.00 0.00 O ATOM 0 H SER A 21 -12.899 7.972 -8.252 1.00 0.00 H new ATOM 0 HA SER A 21 -14.711 7.117 -10.300 1.00 0.00 H new ATOM 0 HB2 SER A 21 -12.241 7.324 -10.591 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.991 6.060 -9.403 1.00 0.00 H new ATOM 0 HG SER A 21 -11.929 5.249 -11.574 1.00 0.00 H new ATOM 333 N LEU A 22 -14.154 5.107 -7.740 1.00 0.00 N ATOM 334 CA LEU A 22 -14.598 3.869 -7.113 1.00 0.00 C ATOM 335 C LEU A 22 -15.837 4.072 -6.245 1.00 0.00 C ATOM 336 O LEU A 22 -16.230 3.176 -5.498 1.00 0.00 O ATOM 337 CB LEU A 22 -13.465 3.275 -6.278 1.00 0.00 C ATOM 338 CG LEU A 22 -12.291 2.745 -7.093 1.00 0.00 C ATOM 339 CD1 LEU A 22 -11.109 2.445 -6.189 1.00 0.00 C ATOM 340 CD2 LEU A 22 -12.705 1.495 -7.847 1.00 0.00 C ATOM 0 H LEU A 22 -13.458 5.628 -7.207 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.871 3.178 -7.910 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.099 4.037 -5.590 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.865 2.463 -5.670 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.991 3.509 -7.811 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.280 2.068 -6.787 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.802 3.357 -5.677 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.396 1.695 -5.452 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.860 1.123 -8.427 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -13.023 0.731 -7.138 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.530 1.732 -8.519 1.00 0.00 H new ATOM 352 N ASN A 23 -16.448 5.256 -6.357 1.00 0.00 N ATOM 353 CA ASN A 23 -17.657 5.598 -5.597 1.00 0.00 C ATOM 354 C ASN A 23 -17.433 5.390 -4.097 1.00 0.00 C ATOM 355 O ASN A 23 -18.288 4.852 -3.392 1.00 0.00 O ATOM 356 CB ASN A 23 -18.843 4.761 -6.093 1.00 0.00 C ATOM 357 CG ASN A 23 -20.174 5.175 -5.490 1.00 0.00 C ATOM 358 OD1 ASN A 23 -20.381 6.336 -5.133 1.00 0.00 O ATOM 359 ND2 ASN A 23 -21.093 4.226 -5.383 1.00 0.00 N ATOM 0 H ASN A 23 -16.122 6.001 -6.973 1.00 0.00 H new ATOM 0 HA ASN A 23 -17.884 6.652 -5.757 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -18.905 4.841 -7.178 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -18.659 3.712 -5.861 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -22.010 4.446 -4.994 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -20.883 3.276 -5.690 1.00 0.00 H new ATOM 366 N ILE A 24 -16.264 5.796 -3.619 1.00 0.00 N ATOM 367 CA ILE A 24 -15.921 5.654 -2.215 1.00 0.00 C ATOM 368 C ILE A 24 -16.715 6.643 -1.370 1.00 0.00 C ATOM 369 O ILE A 24 -16.561 7.857 -1.512 1.00 0.00 O ATOM 370 CB ILE A 24 -14.414 5.879 -1.974 1.00 0.00 C ATOM 371 CG1 ILE A 24 -13.573 5.015 -2.927 1.00 0.00 C ATOM 372 CG2 ILE A 24 -14.065 5.570 -0.524 1.00 0.00 C ATOM 373 CD1 ILE A 24 -13.765 3.522 -2.750 1.00 0.00 C ATOM 0 H ILE A 24 -15.536 6.228 -4.188 1.00 0.00 H new ATOM 0 HA ILE A 24 -16.172 4.634 -1.922 1.00 0.00 H new ATOM 0 HB ILE A 24 -14.184 6.925 -2.176 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.821 5.282 -3.954 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.520 5.254 -2.781 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.999 5.732 -0.364 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.635 6.225 0.135 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.311 4.531 -0.304 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.135 2.987 -3.461 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.488 3.237 -1.735 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.810 3.266 -2.927 1.00 0.00 H new ATOM 385 N PRO A 25 -17.580 6.128 -0.485 1.00 0.00 N ATOM 386 CA PRO A 25 -18.396 6.955 0.404 1.00 0.00 C ATOM 387 C PRO A 25 -17.537 7.788 1.348 1.00 0.00 C ATOM 388 O PRO A 25 -16.471 7.355 1.805 1.00 0.00 O ATOM 389 CB PRO A 25 -19.239 5.945 1.189 1.00 0.00 C ATOM 390 CG PRO A 25 -19.124 4.656 0.460 1.00 0.00 C ATOM 391 CD PRO A 25 -17.815 4.695 -0.275 1.00 0.00 C ATOM 0 HA PRO A 25 -19.000 7.673 -0.151 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -18.877 5.847 2.212 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -20.278 6.268 1.248 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -19.155 3.815 1.153 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.955 4.528 -0.234 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -17.015 4.239 0.307 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.870 4.155 -1.220 1.00 0.00 H new ATOM 399 N ALA A 26 -18.030 8.992 1.622 1.00 0.00 N ATOM 400 CA ALA A 26 -17.318 9.997 2.405 1.00 0.00 C ATOM 401 C ALA A 26 -16.871 9.469 3.760 1.00 0.00 C ATOM 402 O ALA A 26 -15.810 9.849 4.252 1.00 0.00 O ATOM 403 CB ALA A 26 -18.208 11.212 2.596 1.00 0.00 C ATOM 0 H ALA A 26 -18.948 9.301 1.302 1.00 0.00 H new ATOM 0 HA ALA A 26 -16.419 10.268 1.852 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.677 11.963 3.181 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -18.470 11.628 1.623 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -19.117 10.918 3.122 1.00 0.00 H new ATOM 409 N ASP A 27 -17.684 8.605 4.361 1.00 0.00 N ATOM 410 CA ASP A 27 -17.363 8.050 5.675 1.00 0.00 C ATOM 411 C ASP A 27 -16.040 7.280 5.642 1.00 0.00 C ATOM 412 O ASP A 27 -15.266 7.334 6.597 1.00 0.00 O ATOM 413 CB ASP A 27 -18.489 7.154 6.208 1.00 0.00 C ATOM 414 CG ASP A 27 -18.549 5.787 5.559 1.00 0.00 C ATOM 415 OD1 ASP A 27 -19.363 5.603 4.631 1.00 0.00 O ATOM 416 OD2 ASP A 27 -17.791 4.890 5.987 1.00 0.00 O ATOM 0 H ASP A 27 -18.564 8.275 3.964 1.00 0.00 H new ATOM 0 HA ASP A 27 -17.257 8.893 6.358 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -18.361 7.029 7.283 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -19.443 7.659 6.057 1.00 0.00 H new ATOM 421 N TYR A 28 -15.781 6.558 4.552 1.00 0.00 N ATOM 422 CA TYR A 28 -14.511 5.868 4.388 1.00 0.00 C ATOM 423 C TYR A 28 -13.375 6.866 4.208 1.00 0.00 C ATOM 424 O TYR A 28 -12.289 6.683 4.751 1.00 0.00 O ATOM 425 CB TYR A 28 -14.567 4.910 3.197 1.00 0.00 C ATOM 426 CG TYR A 28 -15.328 3.635 3.489 1.00 0.00 C ATOM 427 CD1 TYR A 28 -16.703 3.582 3.330 1.00 0.00 C ATOM 428 CD2 TYR A 28 -14.673 2.487 3.918 1.00 0.00 C ATOM 429 CE1 TYR A 28 -17.409 2.426 3.592 1.00 0.00 C ATOM 430 CE2 TYR A 28 -15.374 1.325 4.183 1.00 0.00 C ATOM 431 CZ TYR A 28 -16.742 1.300 4.017 1.00 0.00 C ATOM 432 OH TYR A 28 -17.444 0.147 4.278 1.00 0.00 O ATOM 0 H TYR A 28 -16.432 6.439 3.776 1.00 0.00 H new ATOM 0 HA TYR A 28 -14.322 5.288 5.291 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -15.033 5.418 2.353 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -13.551 4.657 2.895 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -17.232 4.462 2.995 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -13.601 2.503 4.046 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -18.481 2.405 3.464 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -14.852 0.441 4.519 1.00 0.00 H new ATOM 0 HH TYR A 28 -16.824 -0.555 4.567 1.00 0.00 H new ATOM 442 N VAL A 29 -13.643 7.929 3.457 1.00 0.00 N ATOM 443 CA VAL A 29 -12.654 8.969 3.203 1.00 0.00 C ATOM 444 C VAL A 29 -12.147 9.583 4.511 1.00 0.00 C ATOM 445 O VAL A 29 -10.943 9.773 4.694 1.00 0.00 O ATOM 446 CB VAL A 29 -13.238 10.072 2.305 1.00 0.00 C ATOM 447 CG1 VAL A 29 -12.195 11.137 2.013 1.00 0.00 C ATOM 448 CG2 VAL A 29 -13.766 9.477 1.013 1.00 0.00 C ATOM 0 H VAL A 29 -14.545 8.093 3.010 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.814 8.501 2.690 1.00 0.00 H new ATOM 0 HB VAL A 29 -14.066 10.543 2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.630 11.907 1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.861 11.586 2.949 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.344 10.683 1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.176 10.270 0.388 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.954 8.980 0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.548 8.752 1.239 1.00 0.00 H new ATOM 458 N GLU A 30 -13.072 9.875 5.424 1.00 0.00 N ATOM 459 CA GLU A 30 -12.714 10.436 6.729 1.00 0.00 C ATOM 460 C GLU A 30 -11.834 9.472 7.519 1.00 0.00 C ATOM 461 O GLU A 30 -11.001 9.895 8.320 1.00 0.00 O ATOM 462 CB GLU A 30 -13.955 10.760 7.554 1.00 0.00 C ATOM 463 CG GLU A 30 -15.050 11.442 6.760 1.00 0.00 C ATOM 464 CD GLU A 30 -16.174 11.942 7.641 1.00 0.00 C ATOM 465 OE1 GLU A 30 -16.042 13.052 8.199 1.00 0.00 O ATOM 466 OE2 GLU A 30 -17.191 11.231 7.784 1.00 0.00 O ATOM 0 H GLU A 30 -14.073 9.733 5.286 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.162 11.356 6.536 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.348 9.837 7.981 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.669 11.401 8.388 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.626 12.280 6.206 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.451 10.744 6.025 1.00 0.00 H new ATOM 473 N LYS A 31 -12.041 8.179 7.304 1.00 0.00 N ATOM 474 CA LYS A 31 -11.244 7.153 7.972 1.00 0.00 C ATOM 475 C LYS A 31 -9.810 7.142 7.456 1.00 0.00 C ATOM 476 O LYS A 31 -8.867 7.099 8.243 1.00 0.00 O ATOM 477 CB LYS A 31 -11.865 5.772 7.788 1.00 0.00 C ATOM 478 CG LYS A 31 -13.252 5.657 8.391 1.00 0.00 C ATOM 479 CD LYS A 31 -13.790 4.239 8.305 1.00 0.00 C ATOM 480 CE LYS A 31 -15.201 4.146 8.880 1.00 0.00 C ATOM 481 NZ LYS A 31 -16.148 5.068 8.196 1.00 0.00 N ATOM 0 H LYS A 31 -12.754 7.814 6.672 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.230 7.397 9.034 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.918 5.543 6.724 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.215 5.025 8.243 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.222 5.971 9.434 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -13.931 6.335 7.873 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.796 3.913 7.265 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.129 3.563 8.847 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.563 3.122 8.787 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.174 4.379 9.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.773 5.509 8.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.613 5.807 7.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -16.721 4.533 7.512 1.00 0.00 H new ATOM 495 N PHE A 32 -9.652 7.190 6.139 1.00 0.00 N ATOM 496 CA PHE A 32 -8.331 7.145 5.512 1.00 0.00 C ATOM 497 C PHE A 32 -7.464 8.315 5.972 1.00 0.00 C ATOM 498 O PHE A 32 -6.256 8.171 6.165 1.00 0.00 O ATOM 499 CB PHE A 32 -8.457 7.157 3.985 1.00 0.00 C ATOM 500 CG PHE A 32 -9.368 6.088 3.445 1.00 0.00 C ATOM 501 CD1 PHE A 32 -9.408 4.832 4.029 1.00 0.00 C ATOM 502 CD2 PHE A 32 -10.183 6.340 2.353 1.00 0.00 C ATOM 503 CE1 PHE A 32 -10.242 3.850 3.536 1.00 0.00 C ATOM 504 CE2 PHE A 32 -11.019 5.358 1.855 1.00 0.00 C ATOM 505 CZ PHE A 32 -11.049 4.112 2.449 1.00 0.00 C ATOM 0 H PHE A 32 -10.426 7.261 5.478 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.849 6.217 5.820 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.827 8.132 3.667 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.467 7.034 3.547 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.779 4.619 4.880 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -10.165 7.314 1.886 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.263 2.876 4.002 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -11.648 5.565 1.002 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.703 3.344 2.063 1.00 0.00 H new ATOM 515 N LYS A 33 -8.094 9.466 6.174 1.00 0.00 N ATOM 516 CA LYS A 33 -7.392 10.655 6.647 1.00 0.00 C ATOM 517 C LYS A 33 -6.893 10.445 8.081 1.00 0.00 C ATOM 518 O LYS A 33 -6.011 11.158 8.557 1.00 0.00 O ATOM 519 CB LYS A 33 -8.318 11.874 6.594 1.00 0.00 C ATOM 520 CG LYS A 33 -7.580 13.203 6.676 1.00 0.00 C ATOM 521 CD LYS A 33 -6.792 13.490 5.408 1.00 0.00 C ATOM 522 CE LYS A 33 -6.047 14.813 5.498 1.00 0.00 C ATOM 523 NZ LYS A 33 -4.974 14.787 6.530 1.00 0.00 N ATOM 0 H LYS A 33 -9.093 9.602 6.017 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.535 10.831 5.997 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -8.893 11.843 5.668 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.032 11.813 7.415 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.296 14.006 6.849 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.903 13.191 7.530 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.081 12.683 5.230 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.470 13.511 4.555 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.609 15.048 4.528 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.753 15.610 5.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.387 15.641 6.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.404 14.759 7.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.381 13.943 6.393 1.00 0.00 H new ATOM 537 N LYS A 34 -7.461 9.453 8.757 1.00 0.00 N ATOM 538 CA LYS A 34 -7.082 9.132 10.128 1.00 0.00 C ATOM 539 C LYS A 34 -6.293 7.827 10.180 1.00 0.00 C ATOM 540 O LYS A 34 -6.143 7.223 11.242 1.00 0.00 O ATOM 541 CB LYS A 34 -8.332 9.025 11.014 1.00 0.00 C ATOM 542 CG LYS A 34 -8.978 10.362 11.345 1.00 0.00 C ATOM 543 CD LYS A 34 -8.108 11.193 12.275 1.00 0.00 C ATOM 544 CE LYS A 34 -8.800 12.486 12.681 1.00 0.00 C ATOM 545 NZ LYS A 34 -10.082 12.235 13.398 1.00 0.00 N ATOM 0 H LYS A 34 -8.191 8.853 8.374 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.448 9.935 10.503 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.066 8.394 10.513 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.063 8.524 11.944 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.159 10.916 10.424 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.949 10.192 11.811 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.868 10.612 13.166 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.164 11.424 11.782 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.135 13.067 13.320 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.994 13.087 11.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.381 13.102 13.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.813 11.954 12.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.947 11.474 14.094 1.00 0.00 H new ATOM 559 N TRP A 35 -5.787 7.409 9.019 1.00 0.00 N ATOM 560 CA TRP A 35 -5.034 6.160 8.886 1.00 0.00 C ATOM 561 C TRP A 35 -5.833 4.952 9.375 1.00 0.00 C ATOM 562 O TRP A 35 -5.307 4.091 10.086 1.00 0.00 O ATOM 563 CB TRP A 35 -3.710 6.248 9.642 1.00 0.00 C ATOM 564 CG TRP A 35 -2.715 7.175 9.017 1.00 0.00 C ATOM 565 CD1 TRP A 35 -2.543 8.499 9.299 1.00 0.00 C ATOM 566 CD2 TRP A 35 -1.750 6.848 8.007 1.00 0.00 C ATOM 567 NE1 TRP A 35 -1.524 9.012 8.537 1.00 0.00 N ATOM 568 CE2 TRP A 35 -1.024 8.021 7.733 1.00 0.00 C ATOM 569 CE3 TRP A 35 -1.427 5.678 7.308 1.00 0.00 C ATOM 570 CZ2 TRP A 35 0.002 8.060 6.797 1.00 0.00 C ATOM 571 CZ3 TRP A 35 -0.409 5.720 6.376 1.00 0.00 C ATOM 572 CH2 TRP A 35 0.298 6.901 6.128 1.00 0.00 C ATOM 0 H TRP A 35 -5.887 7.926 8.145 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.835 6.019 7.824 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.907 6.577 10.663 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.273 5.252 9.707 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -3.123 9.060 10.016 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -1.192 9.976 8.564 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.964 4.760 7.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.547 8.972 6.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.154 4.825 5.829 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.092 6.900 5.396 1.00 0.00 H new ATOM 583 N GLU A 36 -7.095 4.888 8.986 1.00 0.00 N ATOM 584 CA GLU A 36 -7.950 3.770 9.340 1.00 0.00 C ATOM 585 C GLU A 36 -8.513 3.123 8.089 1.00 0.00 C ATOM 586 O GLU A 36 -9.346 3.703 7.395 1.00 0.00 O ATOM 587 CB GLU A 36 -9.088 4.212 10.256 1.00 0.00 C ATOM 588 CG GLU A 36 -8.631 4.672 11.625 1.00 0.00 C ATOM 589 CD GLU A 36 -9.786 4.854 12.580 1.00 0.00 C ATOM 590 OE1 GLU A 36 -10.241 3.845 13.162 1.00 0.00 O ATOM 591 OE2 GLU A 36 -10.251 5.996 12.760 1.00 0.00 O ATOM 0 H GLU A 36 -7.552 5.603 8.421 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.343 3.042 9.879 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.634 5.023 9.775 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.787 3.384 10.376 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.933 3.944 12.037 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.090 5.613 11.528 1.00 0.00 H new ATOM 598 N PHE A 37 -8.043 1.925 7.808 1.00 0.00 N ATOM 599 CA PHE A 37 -8.449 1.202 6.615 1.00 0.00 C ATOM 600 C PHE A 37 -9.234 -0.046 7.000 1.00 0.00 C ATOM 601 O PHE A 37 -8.637 -1.063 7.362 1.00 0.00 O ATOM 602 CB PHE A 37 -7.209 0.808 5.800 1.00 0.00 C ATOM 603 CG PHE A 37 -6.275 1.959 5.531 1.00 0.00 C ATOM 604 CD1 PHE A 37 -5.360 2.363 6.493 1.00 0.00 C ATOM 605 CD2 PHE A 37 -6.315 2.637 4.324 1.00 0.00 C ATOM 606 CE1 PHE A 37 -4.506 3.422 6.256 1.00 0.00 C ATOM 607 CE2 PHE A 37 -5.462 3.696 4.082 1.00 0.00 C ATOM 608 CZ PHE A 37 -4.556 4.089 5.050 1.00 0.00 C ATOM 0 H PHE A 37 -7.374 1.426 8.394 1.00 0.00 H new ATOM 0 HA PHE A 37 -9.087 1.846 6.010 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.667 0.027 6.334 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.529 0.381 4.850 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.315 1.843 7.438 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.020 2.335 3.564 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.800 3.727 7.014 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.503 4.217 3.137 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.889 4.917 4.862 1.00 0.00 H new ATOM 618 N PRO A 38 -10.579 0.019 6.969 1.00 0.00 N ATOM 619 CA PRO A 38 -11.433 -1.136 7.265 1.00 0.00 C ATOM 620 C PRO A 38 -11.142 -2.323 6.359 1.00 0.00 C ATOM 621 O PRO A 38 -10.748 -2.166 5.201 1.00 0.00 O ATOM 622 CB PRO A 38 -12.849 -0.616 7.016 1.00 0.00 C ATOM 623 CG PRO A 38 -12.738 0.854 7.194 1.00 0.00 C ATOM 624 CD PRO A 38 -11.382 1.217 6.652 1.00 0.00 C ATOM 0 HA PRO A 38 -11.272 -1.503 8.279 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.195 -0.870 6.014 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.561 -1.049 7.719 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.529 1.376 6.656 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.829 1.131 8.244 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.413 1.413 5.580 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.981 2.112 7.128 1.00 0.00 H new ATOM 632 N GLU A 39 -11.332 -3.511 6.897 1.00 0.00 N ATOM 633 CA GLU A 39 -11.100 -4.731 6.151 1.00 0.00 C ATOM 634 C GLU A 39 -12.339 -5.068 5.326 1.00 0.00 C ATOM 635 O GLU A 39 -13.099 -5.986 5.644 1.00 0.00 O ATOM 636 CB GLU A 39 -10.727 -5.860 7.113 1.00 0.00 C ATOM 637 CG GLU A 39 -10.243 -7.133 6.439 1.00 0.00 C ATOM 638 CD GLU A 39 -9.559 -8.073 7.411 1.00 0.00 C ATOM 639 OE1 GLU A 39 -8.332 -7.942 7.606 1.00 0.00 O ATOM 640 OE2 GLU A 39 -10.241 -8.943 7.992 1.00 0.00 O ATOM 0 H GLU A 39 -11.649 -3.658 7.855 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.267 -4.597 5.461 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.948 -5.503 7.787 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.595 -6.098 7.727 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.090 -7.642 5.979 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.551 -6.876 5.637 1.00 0.00 H new ATOM 647 N ASP A 40 -12.532 -4.299 4.263 1.00 0.00 N ATOM 648 CA ASP A 40 -13.730 -4.395 3.435 1.00 0.00 C ATOM 649 C ASP A 40 -13.375 -4.188 1.967 1.00 0.00 C ATOM 650 O ASP A 40 -12.353 -3.571 1.668 1.00 0.00 O ATOM 651 CB ASP A 40 -14.785 -3.361 3.877 1.00 0.00 C ATOM 652 CG ASP A 40 -14.976 -2.232 2.874 1.00 0.00 C ATOM 653 OD1 ASP A 40 -15.948 -2.296 2.082 1.00 0.00 O ATOM 654 OD2 ASP A 40 -14.152 -1.290 2.855 1.00 0.00 O ATOM 0 H ASP A 40 -11.866 -3.593 3.950 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.152 -5.392 3.560 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.738 -3.867 4.030 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.490 -2.939 4.838 1.00 0.00 H new ATOM 659 N ASP A 41 -14.207 -4.687 1.060 1.00 0.00 N ATOM 660 CA ASP A 41 -13.916 -4.603 -0.379 1.00 0.00 C ATOM 661 C ASP A 41 -13.696 -3.162 -0.835 1.00 0.00 C ATOM 662 O ASP A 41 -12.780 -2.884 -1.614 1.00 0.00 O ATOM 663 CB ASP A 41 -15.030 -5.241 -1.215 1.00 0.00 C ATOM 664 CG ASP A 41 -15.069 -6.747 -1.073 1.00 0.00 C ATOM 665 OD1 ASP A 41 -15.935 -7.264 -0.331 1.00 0.00 O ATOM 666 OD2 ASP A 41 -14.220 -7.427 -1.692 1.00 0.00 O ATOM 0 H ASP A 41 -15.086 -5.153 1.287 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.992 -5.159 -0.538 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -15.991 -4.825 -0.912 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -14.887 -4.981 -2.264 1.00 0.00 H new ATOM 671 N THR A 42 -14.520 -2.251 -0.328 1.00 0.00 N ATOM 672 CA THR A 42 -14.452 -0.846 -0.704 1.00 0.00 C ATOM 673 C THR A 42 -13.055 -0.278 -0.466 1.00 0.00 C ATOM 674 O THR A 42 -12.407 0.228 -1.388 1.00 0.00 O ATOM 675 CB THR A 42 -15.465 -0.029 0.110 1.00 0.00 C ATOM 676 OG1 THR A 42 -16.717 -0.723 0.163 1.00 0.00 O ATOM 677 CG2 THR A 42 -15.663 1.346 -0.493 1.00 0.00 C ATOM 0 H THR A 42 -15.250 -2.466 0.352 1.00 0.00 H new ATOM 0 HA THR A 42 -14.686 -0.778 -1.766 1.00 0.00 H new ATOM 0 HB THR A 42 -15.074 0.094 1.120 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.737 -1.302 0.954 1.00 0.00 H new ATOM 0 HG21 THR A 42 -16.385 1.904 0.103 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.712 1.879 -0.503 1.00 0.00 H new ATOM 0 HG23 THR A 42 -16.034 1.246 -1.513 1.00 0.00 H new ATOM 685 N THR A 43 -12.601 -0.376 0.777 1.00 0.00 N ATOM 686 CA THR A 43 -11.276 0.087 1.161 1.00 0.00 C ATOM 687 C THR A 43 -10.184 -0.610 0.348 1.00 0.00 C ATOM 688 O THR A 43 -9.190 0.004 -0.041 1.00 0.00 O ATOM 689 CB THR A 43 -11.031 -0.168 2.660 1.00 0.00 C ATOM 690 OG1 THR A 43 -12.053 0.475 3.441 1.00 0.00 O ATOM 691 CG2 THR A 43 -9.662 0.346 3.079 1.00 0.00 C ATOM 0 H THR A 43 -13.140 -0.778 1.544 1.00 0.00 H new ATOM 0 HA THR A 43 -11.233 1.157 0.958 1.00 0.00 H new ATOM 0 HB THR A 43 -11.065 -1.243 2.835 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.889 -0.031 3.366 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.511 0.155 4.141 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.890 -0.166 2.505 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.603 1.418 2.891 1.00 0.00 H new ATOM 699 N MET A 44 -10.392 -1.887 0.071 1.00 0.00 N ATOM 700 CA MET A 44 -9.399 -2.688 -0.626 1.00 0.00 C ATOM 701 C MET A 44 -9.222 -2.219 -2.067 1.00 0.00 C ATOM 702 O MET A 44 -8.096 -2.073 -2.548 1.00 0.00 O ATOM 703 CB MET A 44 -9.794 -4.161 -0.592 1.00 0.00 C ATOM 704 CG MET A 44 -9.833 -4.746 0.807 1.00 0.00 C ATOM 705 SD MET A 44 -10.228 -6.502 0.823 1.00 0.00 S ATOM 706 CE MET A 44 -10.306 -6.799 2.586 1.00 0.00 C ATOM 0 H MET A 44 -11.243 -2.392 0.319 1.00 0.00 H new ATOM 0 HA MET A 44 -8.445 -2.564 -0.114 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.775 -4.276 -1.053 1.00 0.00 H new ATOM 0 HB3 MET A 44 -9.089 -4.732 -1.196 1.00 0.00 H new ATOM 0 HG2 MET A 44 -8.866 -4.592 1.286 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.572 -4.207 1.400 1.00 0.00 H new ATOM 0 HE1 MET A 44 -9.682 -7.656 2.839 1.00 0.00 H new ATOM 0 HE2 MET A 44 -9.947 -5.919 3.119 1.00 0.00 H new ATOM 0 HE3 MET A 44 -11.337 -7.003 2.875 1.00 0.00 H new ATOM 716 N CYS A 45 -10.330 -1.975 -2.755 1.00 0.00 N ATOM 717 CA CYS A 45 -10.274 -1.493 -4.129 1.00 0.00 C ATOM 718 C CYS A 45 -9.726 -0.068 -4.180 1.00 0.00 C ATOM 719 O CYS A 45 -9.121 0.346 -5.171 1.00 0.00 O ATOM 720 CB CYS A 45 -11.645 -1.579 -4.803 1.00 0.00 C ATOM 721 SG CYS A 45 -12.279 -3.285 -4.968 1.00 0.00 S ATOM 0 H CYS A 45 -11.273 -2.102 -2.387 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.593 -2.139 -4.684 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -12.360 -0.990 -4.229 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.582 -1.127 -5.793 1.00 0.00 H new ATOM 726 N TYR A 46 -9.919 0.672 -3.100 1.00 0.00 N ATOM 727 CA TYR A 46 -9.345 1.999 -2.975 1.00 0.00 C ATOM 728 C TYR A 46 -7.821 1.912 -2.958 1.00 0.00 C ATOM 729 O TYR A 46 -7.134 2.690 -3.622 1.00 0.00 O ATOM 730 CB TYR A 46 -9.878 2.664 -1.702 1.00 0.00 C ATOM 731 CG TYR A 46 -9.083 3.867 -1.240 1.00 0.00 C ATOM 732 CD1 TYR A 46 -8.263 3.786 -0.120 1.00 0.00 C ATOM 733 CD2 TYR A 46 -9.156 5.080 -1.914 1.00 0.00 C ATOM 734 CE1 TYR A 46 -7.543 4.880 0.318 1.00 0.00 C ATOM 735 CE2 TYR A 46 -8.434 6.178 -1.485 1.00 0.00 C ATOM 736 CZ TYR A 46 -7.631 6.073 -0.367 1.00 0.00 C ATOM 737 OH TYR A 46 -6.923 7.166 0.067 1.00 0.00 O ATOM 0 H TYR A 46 -10.471 0.374 -2.296 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.634 2.608 -3.832 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.910 2.970 -1.873 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.893 1.925 -0.901 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.188 2.852 0.416 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.787 5.166 -2.787 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.914 4.801 1.193 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.498 7.113 -2.022 1.00 0.00 H new ATOM 0 HH TYR A 46 -5.988 7.084 -0.216 1.00 0.00 H new ATOM 747 N ILE A 47 -7.309 0.933 -2.220 1.00 0.00 N ATOM 748 CA ILE A 47 -5.874 0.739 -2.087 1.00 0.00 C ATOM 749 C ILE A 47 -5.222 0.366 -3.420 1.00 0.00 C ATOM 750 O ILE A 47 -4.147 0.871 -3.734 1.00 0.00 O ATOM 751 CB ILE A 47 -5.541 -0.327 -1.012 1.00 0.00 C ATOM 752 CG1 ILE A 47 -5.931 0.184 0.387 1.00 0.00 C ATOM 753 CG2 ILE A 47 -4.062 -0.707 -1.050 1.00 0.00 C ATOM 754 CD1 ILE A 47 -5.244 1.479 0.791 1.00 0.00 C ATOM 0 H ILE A 47 -7.873 0.259 -1.703 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.460 1.694 -1.765 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.122 -1.222 -1.233 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.010 0.333 0.419 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.693 -0.585 1.122 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.859 -1.456 -0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.816 -1.114 -2.031 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.454 0.178 -0.862 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.573 1.770 1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.164 1.332 0.794 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.502 2.265 0.081 1.00 0.00 H new ATOM 766 N LYS A 48 -5.864 -0.493 -4.221 1.00 0.00 N ATOM 767 CA LYS A 48 -5.265 -0.899 -5.498 1.00 0.00 C ATOM 768 C LYS A 48 -5.095 0.301 -6.419 1.00 0.00 C ATOM 769 O LYS A 48 -4.038 0.489 -7.015 1.00 0.00 O ATOM 770 CB LYS A 48 -6.082 -1.980 -6.234 1.00 0.00 C ATOM 771 CG LYS A 48 -7.546 -2.043 -5.863 1.00 0.00 C ATOM 772 CD LYS A 48 -8.439 -2.173 -7.093 1.00 0.00 C ATOM 773 CE LYS A 48 -8.149 -3.437 -7.888 1.00 0.00 C ATOM 774 NZ LYS A 48 -9.072 -3.590 -9.042 1.00 0.00 N ATOM 0 H LYS A 48 -6.772 -0.910 -4.017 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.294 -1.327 -5.248 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.003 -1.805 -7.307 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.631 -2.952 -6.035 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.716 -2.891 -5.199 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.819 -1.145 -5.309 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.484 -2.174 -6.782 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.298 -1.303 -7.735 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.120 -3.412 -8.247 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.238 -4.305 -7.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.841 -4.463 -9.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.052 -3.640 -8.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.969 -2.774 -9.679 1.00 0.00 H new ATOM 788 N CYS A 49 -6.152 1.102 -6.536 1.00 0.00 N ATOM 789 CA CYS A 49 -6.127 2.285 -7.389 1.00 0.00 C ATOM 790 C CYS A 49 -5.009 3.244 -6.976 1.00 0.00 C ATOM 791 O CYS A 49 -4.208 3.674 -7.809 1.00 0.00 O ATOM 792 CB CYS A 49 -7.491 2.985 -7.354 1.00 0.00 C ATOM 793 SG CYS A 49 -7.520 4.619 -8.166 1.00 0.00 S ATOM 0 H CYS A 49 -7.036 0.952 -6.050 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.922 1.968 -8.411 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.229 2.341 -7.833 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.799 3.103 -6.315 1.00 0.00 H new ATOM 798 N VAL A 50 -4.942 3.555 -5.682 1.00 0.00 N ATOM 799 CA VAL A 50 -3.939 4.471 -5.162 1.00 0.00 C ATOM 800 C VAL A 50 -2.529 3.915 -5.349 1.00 0.00 C ATOM 801 O VAL A 50 -1.637 4.606 -5.838 1.00 0.00 O ATOM 802 CB VAL A 50 -4.195 4.771 -3.673 1.00 0.00 C ATOM 803 CG1 VAL A 50 -3.012 5.479 -3.044 1.00 0.00 C ATOM 804 CG2 VAL A 50 -5.448 5.612 -3.523 1.00 0.00 C ATOM 0 H VAL A 50 -5.576 3.182 -4.975 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.017 5.400 -5.728 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.333 3.823 -3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.223 5.677 -1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.126 4.849 -3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.834 6.421 -3.562 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.622 5.820 -2.467 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.323 6.551 -4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.301 5.070 -3.932 1.00 0.00 H new ATOM 814 N PHE A 51 -2.347 2.653 -4.987 1.00 0.00 N ATOM 815 CA PHE A 51 -1.047 2.001 -5.066 1.00 0.00 C ATOM 816 C PHE A 51 -0.571 1.885 -6.511 1.00 0.00 C ATOM 817 O PHE A 51 0.632 1.851 -6.782 1.00 0.00 O ATOM 818 CB PHE A 51 -1.114 0.619 -4.415 1.00 0.00 C ATOM 819 CG PHE A 51 -0.686 0.589 -2.977 1.00 0.00 C ATOM 820 CD1 PHE A 51 -0.017 -0.513 -2.471 1.00 0.00 C ATOM 821 CD2 PHE A 51 -0.946 1.656 -2.133 1.00 0.00 C ATOM 822 CE1 PHE A 51 0.384 -0.551 -1.151 1.00 0.00 C ATOM 823 CE2 PHE A 51 -0.547 1.623 -0.811 1.00 0.00 C ATOM 824 CZ PHE A 51 0.119 0.519 -0.320 1.00 0.00 C ATOM 0 H PHE A 51 -3.092 2.054 -4.632 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.326 2.615 -4.527 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.136 0.247 -4.485 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.486 -0.067 -4.983 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.193 -1.353 -3.117 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.466 2.523 -2.513 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.904 -1.417 -0.769 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.756 2.461 -0.162 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.433 0.492 0.713 1.00 0.00 H new ATOM 834 N ASN A 52 -1.519 1.836 -7.434 1.00 0.00 N ATOM 835 CA ASN A 52 -1.202 1.742 -8.852 1.00 0.00 C ATOM 836 C ASN A 52 -0.740 3.098 -9.370 1.00 0.00 C ATOM 837 O ASN A 52 0.236 3.197 -10.111 1.00 0.00 O ATOM 838 CB ASN A 52 -2.424 1.266 -9.645 1.00 0.00 C ATOM 839 CG ASN A 52 -2.122 1.068 -11.122 1.00 0.00 C ATOM 840 OD1 ASN A 52 -0.936 0.560 -11.428 1.00 0.00 O flip ATOM 841 ND2 ASN A 52 -2.964 1.342 -11.978 1.00 0.00 N flip ATOM 0 H ASN A 52 -2.517 1.860 -7.226 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.400 1.016 -8.983 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.784 0.328 -9.223 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.229 1.993 -9.537 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.865 1.732 -11.701 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.760 1.179 -12.964 1.00 0.00 H new ATOM 848 N LYS A 53 -1.435 4.142 -8.938 1.00 0.00 N ATOM 849 CA LYS A 53 -1.121 5.506 -9.343 1.00 0.00 C ATOM 850 C LYS A 53 0.196 5.965 -8.730 1.00 0.00 C ATOM 851 O LYS A 53 0.885 6.830 -9.269 1.00 0.00 O ATOM 852 CB LYS A 53 -2.247 6.443 -8.913 1.00 0.00 C ATOM 853 CG LYS A 53 -3.475 6.399 -9.814 1.00 0.00 C ATOM 854 CD LYS A 53 -4.630 7.184 -9.216 1.00 0.00 C ATOM 855 CE LYS A 53 -5.835 7.183 -10.137 1.00 0.00 C ATOM 856 NZ LYS A 53 -5.595 7.979 -11.368 1.00 0.00 N ATOM 0 H LYS A 53 -2.228 4.068 -8.301 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.021 5.530 -10.428 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.547 6.189 -7.896 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.865 7.464 -8.888 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.224 6.807 -10.793 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.778 5.363 -9.968 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.905 6.753 -8.254 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.315 8.210 -9.027 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.081 6.157 -10.411 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.697 7.587 -9.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.499 8.152 -11.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.159 8.888 -11.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.959 7.455 -12.002 1.00 0.00 H new ATOM 870 N MET A 54 0.542 5.367 -7.599 1.00 0.00 N ATOM 871 CA MET A 54 1.776 5.689 -6.899 1.00 0.00 C ATOM 872 C MET A 54 2.953 4.938 -7.509 1.00 0.00 C ATOM 873 O MET A 54 4.084 5.043 -7.034 1.00 0.00 O ATOM 874 CB MET A 54 1.648 5.338 -5.414 1.00 0.00 C ATOM 875 CG MET A 54 0.706 6.246 -4.641 1.00 0.00 C ATOM 876 SD MET A 54 1.514 7.720 -3.992 1.00 0.00 S ATOM 877 CE MET A 54 2.389 7.022 -2.592 1.00 0.00 C ATOM 0 H MET A 54 -0.021 4.649 -7.143 1.00 0.00 H new ATOM 0 HA MET A 54 1.957 6.759 -6.999 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.299 4.309 -5.324 1.00 0.00 H new ATOM 0 HB3 MET A 54 2.636 5.382 -4.955 1.00 0.00 H new ATOM 0 HG2 MET A 54 -0.115 6.546 -5.292 1.00 0.00 H new ATOM 0 HG3 MET A 54 0.268 5.686 -3.815 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.688 7.822 -1.914 1.00 0.00 H new ATOM 0 HE2 MET A 54 1.737 6.325 -2.066 1.00 0.00 H new ATOM 0 HE3 MET A 54 3.275 6.494 -2.943 1.00 0.00 H new ATOM 887 N GLN A 55 2.657 4.178 -8.571 1.00 0.00 N ATOM 888 CA GLN A 55 3.643 3.351 -9.259 1.00 0.00 C ATOM 889 C GLN A 55 4.354 2.419 -8.289 1.00 0.00 C ATOM 890 O GLN A 55 5.577 2.287 -8.310 1.00 0.00 O ATOM 891 CB GLN A 55 4.644 4.219 -10.020 1.00 0.00 C ATOM 892 CG GLN A 55 4.203 4.543 -11.433 1.00 0.00 C ATOM 893 CD GLN A 55 4.032 3.300 -12.288 1.00 0.00 C ATOM 894 OE1 GLN A 55 4.699 2.286 -12.078 1.00 0.00 O ATOM 895 NE2 GLN A 55 3.143 3.372 -13.263 1.00 0.00 N ATOM 0 H GLN A 55 1.722 4.123 -8.975 1.00 0.00 H new ATOM 0 HA GLN A 55 3.113 2.732 -9.983 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.798 5.149 -9.473 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.606 3.707 -10.055 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.261 5.090 -11.400 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.937 5.201 -11.897 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.610 4.230 -13.405 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.990 2.570 -13.874 1.00 0.00 H new ATOM 904 N LEU A 56 3.570 1.767 -7.445 1.00 0.00 N ATOM 905 CA LEU A 56 4.116 0.939 -6.386 1.00 0.00 C ATOM 906 C LEU A 56 3.523 -0.467 -6.418 1.00 0.00 C ATOM 907 O LEU A 56 4.095 -1.412 -5.869 1.00 0.00 O ATOM 908 CB LEU A 56 3.858 1.624 -5.039 1.00 0.00 C ATOM 909 CG LEU A 56 5.024 2.468 -4.526 1.00 0.00 C ATOM 910 CD1 LEU A 56 4.643 3.202 -3.248 1.00 0.00 C ATOM 911 CD2 LEU A 56 6.250 1.604 -4.290 1.00 0.00 C ATOM 0 H LEU A 56 2.551 1.797 -7.475 1.00 0.00 H new ATOM 0 HA LEU A 56 5.190 0.828 -6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.978 2.260 -5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.623 0.861 -4.296 1.00 0.00 H new ATOM 0 HG LEU A 56 5.262 3.208 -5.290 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.490 3.796 -2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.795 3.859 -3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.371 2.478 -2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.068 2.225 -3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.018 0.838 -3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.545 1.128 -5.225 1.00 0.00 H new ATOM 923 N PHE A 57 2.381 -0.601 -7.078 1.00 0.00 N ATOM 924 CA PHE A 57 1.720 -1.889 -7.213 1.00 0.00 C ATOM 925 C PHE A 57 1.137 -2.021 -8.608 1.00 0.00 C ATOM 926 O PHE A 57 0.568 -1.070 -9.150 1.00 0.00 O ATOM 927 CB PHE A 57 0.610 -2.048 -6.161 1.00 0.00 C ATOM 928 CG PHE A 57 -0.197 -3.317 -6.291 1.00 0.00 C ATOM 929 CD1 PHE A 57 0.233 -4.496 -5.701 1.00 0.00 C ATOM 930 CD2 PHE A 57 -1.392 -3.326 -6.999 1.00 0.00 C ATOM 931 CE1 PHE A 57 -0.510 -5.656 -5.816 1.00 0.00 C ATOM 932 CE2 PHE A 57 -2.136 -4.484 -7.118 1.00 0.00 C ATOM 933 CZ PHE A 57 -1.694 -5.650 -6.524 1.00 0.00 C ATOM 0 H PHE A 57 1.892 0.172 -7.530 1.00 0.00 H new ATOM 0 HA PHE A 57 2.457 -2.676 -7.052 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.060 -2.018 -5.169 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.064 -1.195 -6.231 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.159 -4.508 -5.145 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.744 -2.416 -7.462 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.163 -6.567 -5.351 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.062 -4.478 -7.674 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.275 -6.556 -6.614 1.00 0.00 H new ATOM 943 N ASP A 58 1.294 -3.193 -9.185 1.00 0.00 N ATOM 944 CA ASP A 58 0.705 -3.497 -10.474 1.00 0.00 C ATOM 945 C ASP A 58 -0.266 -4.656 -10.305 1.00 0.00 C ATOM 946 O ASP A 58 0.004 -5.583 -9.548 1.00 0.00 O ATOM 947 CB ASP A 58 1.794 -3.843 -11.493 1.00 0.00 C ATOM 948 CG ASP A 58 1.221 -4.193 -12.847 1.00 0.00 C ATOM 949 OD1 ASP A 58 0.838 -3.266 -13.591 1.00 0.00 O ATOM 950 OD2 ASP A 58 1.145 -5.392 -13.174 1.00 0.00 O ATOM 0 H ASP A 58 1.830 -3.959 -8.778 1.00 0.00 H new ATOM 0 HA ASP A 58 0.168 -2.626 -10.849 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.474 -2.997 -11.596 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.383 -4.682 -11.122 1.00 0.00 H new ATOM 955 N ASP A 59 -1.397 -4.606 -10.993 1.00 0.00 N ATOM 956 CA ASP A 59 -2.449 -5.600 -10.784 1.00 0.00 C ATOM 957 C ASP A 59 -2.112 -6.915 -11.479 1.00 0.00 C ATOM 958 O ASP A 59 -2.843 -7.898 -11.352 1.00 0.00 O ATOM 959 CB ASP A 59 -3.806 -5.077 -11.269 1.00 0.00 C ATOM 960 CG ASP A 59 -4.003 -5.220 -12.765 1.00 0.00 C ATOM 961 OD1 ASP A 59 -4.855 -6.038 -13.175 1.00 0.00 O ATOM 962 OD2 ASP A 59 -3.317 -4.515 -13.536 1.00 0.00 O ATOM 0 H ASP A 59 -1.612 -3.897 -11.694 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.514 -5.786 -9.712 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.601 -5.614 -10.752 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.902 -4.026 -10.996 1.00 0.00 H new ATOM 967 N THR A 60 -1.016 -6.920 -12.224 1.00 0.00 N ATOM 968 CA THR A 60 -0.522 -8.131 -12.853 1.00 0.00 C ATOM 969 C THR A 60 0.726 -8.659 -12.132 1.00 0.00 C ATOM 970 O THR A 60 0.714 -9.759 -11.583 1.00 0.00 O ATOM 971 CB THR A 60 -0.214 -7.882 -14.341 1.00 0.00 C ATOM 972 OG1 THR A 60 -1.442 -7.707 -15.065 1.00 0.00 O ATOM 973 CG2 THR A 60 0.584 -9.024 -14.947 1.00 0.00 C ATOM 0 H THR A 60 -0.450 -6.091 -12.407 1.00 0.00 H new ATOM 0 HA THR A 60 -1.303 -8.888 -12.780 1.00 0.00 H new ATOM 0 HB THR A 60 0.391 -6.978 -14.413 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.244 -7.547 -16.011 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.782 -8.812 -15.998 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.529 -9.131 -14.414 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.014 -9.950 -14.865 1.00 0.00 H new ATOM 981 N GLU A 61 1.800 -7.868 -12.127 1.00 0.00 N ATOM 982 CA GLU A 61 3.065 -8.294 -11.530 1.00 0.00 C ATOM 983 C GLU A 61 3.041 -8.208 -10.002 1.00 0.00 C ATOM 984 O GLU A 61 3.917 -8.757 -9.329 1.00 0.00 O ATOM 985 CB GLU A 61 4.216 -7.452 -12.067 1.00 0.00 C ATOM 986 CG GLU A 61 4.123 -7.167 -13.551 1.00 0.00 C ATOM 987 CD GLU A 61 5.344 -6.452 -14.083 1.00 0.00 C ATOM 988 OE1 GLU A 61 5.576 -5.290 -13.695 1.00 0.00 O ATOM 989 OE2 GLU A 61 6.079 -7.042 -14.901 1.00 0.00 O ATOM 0 H GLU A 61 1.819 -6.931 -12.529 1.00 0.00 H new ATOM 0 HA GLU A 61 3.211 -9.338 -11.806 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.246 -6.506 -11.526 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.156 -7.965 -11.863 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.992 -8.105 -14.090 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.238 -6.561 -13.746 1.00 0.00 H new ATOM 996 N GLY A 62 2.046 -7.524 -9.458 1.00 0.00 N ATOM 997 CA GLY A 62 1.933 -7.399 -8.018 1.00 0.00 C ATOM 998 C GLY A 62 2.766 -6.267 -7.453 1.00 0.00 C ATOM 999 O GLY A 62 3.074 -5.307 -8.161 1.00 0.00 O ATOM 0 H GLY A 62 1.313 -7.052 -9.988 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.888 -7.240 -7.754 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.240 -8.336 -7.553 1.00 0.00 H new ATOM 1003 N PRO A 63 3.129 -6.352 -6.162 1.00 0.00 N ATOM 1004 CA PRO A 63 3.961 -5.345 -5.496 1.00 0.00 C ATOM 1005 C PRO A 63 5.308 -5.174 -6.187 1.00 0.00 C ATOM 1006 O PRO A 63 6.066 -6.134 -6.342 1.00 0.00 O ATOM 1007 CB PRO A 63 4.157 -5.903 -4.080 1.00 0.00 C ATOM 1008 CG PRO A 63 3.059 -6.893 -3.889 1.00 0.00 C ATOM 1009 CD PRO A 63 2.752 -7.446 -5.255 1.00 0.00 C ATOM 0 HA PRO A 63 3.494 -4.360 -5.512 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.134 -6.375 -3.975 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.105 -5.110 -3.334 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.364 -7.687 -3.207 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.179 -6.420 -3.454 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.324 -8.351 -5.459 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.698 -7.705 -5.355 1.00 0.00 H new ATOM 1017 N LEU A 64 5.599 -3.952 -6.603 1.00 0.00 N ATOM 1018 CA LEU A 64 6.847 -3.655 -7.291 1.00 0.00 C ATOM 1019 C LEU A 64 7.942 -3.409 -6.268 1.00 0.00 C ATOM 1020 O LEU A 64 8.185 -2.276 -5.857 1.00 0.00 O ATOM 1021 CB LEU A 64 6.676 -2.443 -8.211 1.00 0.00 C ATOM 1022 CG LEU A 64 5.440 -2.507 -9.116 1.00 0.00 C ATOM 1023 CD1 LEU A 64 5.269 -1.212 -9.896 1.00 0.00 C ATOM 1024 CD2 LEU A 64 5.539 -3.690 -10.065 1.00 0.00 C ATOM 0 H LEU A 64 4.986 -3.147 -6.476 1.00 0.00 H new ATOM 0 HA LEU A 64 7.129 -4.506 -7.911 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.618 -1.543 -7.599 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.564 -2.347 -8.835 1.00 0.00 H new ATOM 0 HG LEU A 64 4.562 -2.640 -8.483 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.385 -1.283 -10.530 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.150 -0.381 -9.200 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.149 -1.042 -10.517 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.654 -3.722 -10.701 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.428 -3.585 -10.686 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.606 -4.613 -9.490 1.00 0.00 H new ATOM 1036 N VAL A 65 8.591 -4.499 -5.876 1.00 0.00 N ATOM 1037 CA VAL A 65 9.551 -4.514 -4.775 1.00 0.00 C ATOM 1038 C VAL A 65 10.613 -3.424 -4.890 1.00 0.00 C ATOM 1039 O VAL A 65 10.893 -2.730 -3.917 1.00 0.00 O ATOM 1040 CB VAL A 65 10.240 -5.886 -4.667 1.00 0.00 C ATOM 1041 CG1 VAL A 65 11.300 -5.883 -3.576 1.00 0.00 C ATOM 1042 CG2 VAL A 65 9.210 -6.972 -4.411 1.00 0.00 C ATOM 0 H VAL A 65 8.465 -5.409 -6.318 1.00 0.00 H new ATOM 0 HA VAL A 65 8.973 -4.315 -3.873 1.00 0.00 H new ATOM 0 HB VAL A 65 10.738 -6.093 -5.614 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.770 -6.865 -3.523 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.055 -5.131 -3.805 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.835 -5.651 -2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.710 -7.938 -4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.685 -6.763 -3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.495 -6.996 -5.233 1.00 0.00 H new ATOM 1052 N ASP A 66 11.198 -3.269 -6.070 1.00 0.00 N ATOM 1053 CA ASP A 66 12.274 -2.299 -6.254 1.00 0.00 C ATOM 1054 C ASP A 66 11.803 -0.876 -5.955 1.00 0.00 C ATOM 1055 O ASP A 66 12.441 -0.152 -5.187 1.00 0.00 O ATOM 1056 CB ASP A 66 12.843 -2.378 -7.662 1.00 0.00 C ATOM 1057 CG ASP A 66 14.001 -1.420 -7.855 1.00 0.00 C ATOM 1058 OD1 ASP A 66 15.103 -1.700 -7.335 1.00 0.00 O ATOM 1059 OD2 ASP A 66 13.815 -0.381 -8.525 1.00 0.00 O ATOM 0 H ASP A 66 10.950 -3.796 -6.908 1.00 0.00 H new ATOM 0 HA ASP A 66 13.062 -2.551 -5.544 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.176 -3.396 -7.863 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.059 -2.151 -8.384 1.00 0.00 H new ATOM 1064 N ASN A 67 10.680 -0.480 -6.552 1.00 0.00 N ATOM 1065 CA ASN A 67 10.096 0.833 -6.282 1.00 0.00 C ATOM 1066 C ASN A 67 9.745 0.958 -4.809 1.00 0.00 C ATOM 1067 O ASN A 67 9.896 2.022 -4.211 1.00 0.00 O ATOM 1068 CB ASN A 67 8.843 1.072 -7.127 1.00 0.00 C ATOM 1069 CG ASN A 67 9.143 1.378 -8.583 1.00 0.00 C ATOM 1070 OD1 ASN A 67 10.136 0.916 -9.150 1.00 0.00 O ATOM 1071 ND2 ASN A 67 8.276 2.163 -9.199 1.00 0.00 N ATOM 0 H ASN A 67 10.159 -1.046 -7.222 1.00 0.00 H new ATOM 0 HA ASN A 67 10.838 1.586 -6.547 1.00 0.00 H new ATOM 0 HB2 ASN A 67 8.205 0.190 -7.074 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.278 1.900 -6.699 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.416 2.407 -10.179 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.467 2.525 -8.694 1.00 0.00 H new ATOM 1078 N LEU A 68 9.296 -0.147 -4.231 1.00 0.00 N ATOM 1079 CA LEU A 68 8.911 -0.197 -2.827 1.00 0.00 C ATOM 1080 C LEU A 68 10.088 0.134 -1.915 1.00 0.00 C ATOM 1081 O LEU A 68 9.929 0.824 -0.914 1.00 0.00 O ATOM 1082 CB LEU A 68 8.327 -1.573 -2.497 1.00 0.00 C ATOM 1083 CG LEU A 68 6.849 -1.733 -2.856 1.00 0.00 C ATOM 1084 CD1 LEU A 68 6.460 -3.200 -2.919 1.00 0.00 C ATOM 1085 CD2 LEU A 68 5.986 -1.007 -1.842 1.00 0.00 C ATOM 0 H LEU A 68 9.188 -1.035 -4.722 1.00 0.00 H new ATOM 0 HA LEU A 68 8.146 0.560 -2.651 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.901 -2.334 -3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.452 -1.761 -1.431 1.00 0.00 H new ATOM 0 HG LEU A 68 6.687 -1.296 -3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.404 -3.286 -3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.060 -3.703 -3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.636 -3.665 -1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.935 -1.127 -2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.161 -1.424 -0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.241 0.053 -1.840 1.00 0.00 H new ATOM 1097 N VAL A 69 11.267 -0.345 -2.276 1.00 0.00 N ATOM 1098 CA VAL A 69 12.476 -0.052 -1.522 1.00 0.00 C ATOM 1099 C VAL A 69 12.914 1.395 -1.745 1.00 0.00 C ATOM 1100 O VAL A 69 13.260 2.095 -0.799 1.00 0.00 O ATOM 1101 CB VAL A 69 13.617 -1.001 -1.914 1.00 0.00 C ATOM 1102 CG1 VAL A 69 14.859 -0.710 -1.096 1.00 0.00 C ATOM 1103 CG2 VAL A 69 13.191 -2.446 -1.740 1.00 0.00 C ATOM 0 H VAL A 69 11.413 -0.941 -3.090 1.00 0.00 H new ATOM 0 HA VAL A 69 12.248 -0.198 -0.466 1.00 0.00 H new ATOM 0 HB VAL A 69 13.853 -0.836 -2.965 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.656 -1.393 -1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 69 15.178 0.317 -1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.637 -0.844 -0.037 1.00 0.00 H new ATOM 0 HG21 VAL A 69 14.013 -3.104 -2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 69 12.925 -2.624 -0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.328 -2.650 -2.374 1.00 0.00 H new ATOM 1113 N HIS A 70 12.870 1.841 -2.997 1.00 0.00 N ATOM 1114 CA HIS A 70 13.243 3.220 -3.337 1.00 0.00 C ATOM 1115 C HIS A 70 12.361 4.228 -2.606 1.00 0.00 C ATOM 1116 O HIS A 70 12.788 5.342 -2.305 1.00 0.00 O ATOM 1117 CB HIS A 70 13.137 3.465 -4.845 1.00 0.00 C ATOM 1118 CG HIS A 70 14.328 3.008 -5.631 1.00 0.00 C ATOM 1119 ND1 HIS A 70 14.658 1.789 -6.120 1.00 0.00 N flip ATOM 1120 CD2 HIS A 70 15.341 3.858 -6.018 1.00 0.00 C flip ATOM 1121 CE1 HIS A 70 15.848 1.928 -6.787 1.00 0.00 C flip ATOM 1122 NE2 HIS A 70 16.237 3.185 -6.710 1.00 0.00 N flip ATOM 0 H HIS A 70 12.581 1.274 -3.794 1.00 0.00 H new ATOM 0 HA HIS A 70 14.278 3.356 -3.022 1.00 0.00 H new ATOM 0 HB2 HIS A 70 12.250 2.955 -5.222 1.00 0.00 H new ATOM 0 HB3 HIS A 70 12.990 4.531 -5.018 1.00 0.00 H new ATOM 0 HD1 HIS A 70 14.122 0.928 -6.012 1.00 0.00 H new ATOM 0 HD2 HIS A 70 15.392 4.912 -5.789 1.00 0.00 H new ATOM 0 HE1 HIS A 70 16.380 1.136 -7.293 1.00 0.00 H new ATOM 1131 N GLN A 71 11.135 3.824 -2.328 1.00 0.00 N ATOM 1132 CA GLN A 71 10.157 4.696 -1.695 1.00 0.00 C ATOM 1133 C GLN A 71 10.245 4.611 -0.172 1.00 0.00 C ATOM 1134 O GLN A 71 10.466 5.614 0.508 1.00 0.00 O ATOM 1135 CB GLN A 71 8.753 4.293 -2.143 1.00 0.00 C ATOM 1136 CG GLN A 71 7.697 5.354 -1.879 1.00 0.00 C ATOM 1137 CD GLN A 71 7.851 6.579 -2.759 1.00 0.00 C ATOM 1138 OE1 GLN A 71 8.298 6.492 -3.901 1.00 0.00 O ATOM 1139 NE2 GLN A 71 7.489 7.734 -2.227 1.00 0.00 N ATOM 0 H GLN A 71 10.788 2.887 -2.533 1.00 0.00 H new ATOM 0 HA GLN A 71 10.368 5.722 -1.995 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.772 4.070 -3.210 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.468 3.374 -1.630 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.709 4.922 -2.038 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.748 5.657 -0.833 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.122 7.765 -1.276 1.00 0.00 H new ATOM 0 HE22 GLN A 71 7.576 8.594 -2.768 1.00 0.00 H new ATOM 1148 N LEU A 72 10.052 3.409 0.352 1.00 0.00 N ATOM 1149 CA LEU A 72 9.987 3.191 1.795 1.00 0.00 C ATOM 1150 C LEU A 72 11.327 3.425 2.490 1.00 0.00 C ATOM 1151 O LEU A 72 11.379 4.097 3.518 1.00 0.00 O ATOM 1152 CB LEU A 72 9.493 1.776 2.095 1.00 0.00 C ATOM 1153 CG LEU A 72 8.030 1.508 1.741 1.00 0.00 C ATOM 1154 CD1 LEU A 72 7.702 0.033 1.918 1.00 0.00 C ATOM 1155 CD2 LEU A 72 7.105 2.358 2.600 1.00 0.00 C ATOM 0 H LEU A 72 9.937 2.562 -0.204 1.00 0.00 H new ATOM 0 HA LEU A 72 9.284 3.924 2.191 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.117 1.067 1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.636 1.576 3.157 1.00 0.00 H new ATOM 0 HG LEU A 72 7.877 1.778 0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.657 -0.141 1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.339 -0.562 1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.874 -0.256 2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.069 2.152 2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.263 2.118 3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.320 3.413 2.432 1.00 0.00 H new ATOM 1167 N ALA A 73 12.405 2.881 1.930 1.00 0.00 N ATOM 1168 CA ALA A 73 13.721 2.924 2.570 1.00 0.00 C ATOM 1169 C ALA A 73 14.372 4.307 2.516 1.00 0.00 C ATOM 1170 O ALA A 73 15.598 4.419 2.459 1.00 0.00 O ATOM 1171 CB ALA A 73 14.634 1.898 1.928 1.00 0.00 C ATOM 0 H ALA A 73 12.394 2.402 1.029 1.00 0.00 H new ATOM 0 HA ALA A 73 13.569 2.691 3.624 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.613 1.932 2.406 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.205 0.903 2.049 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.741 2.120 0.866 1.00 0.00 H new ATOM 1177 N HIS A 74 13.562 5.351 2.559 1.00 0.00 N ATOM 1178 CA HIS A 74 14.075 6.710 2.509 1.00 0.00 C ATOM 1179 C HIS A 74 14.730 7.071 3.835 1.00 0.00 C ATOM 1180 O HIS A 74 14.054 7.444 4.796 1.00 0.00 O ATOM 1181 CB HIS A 74 12.961 7.711 2.177 1.00 0.00 C ATOM 1182 CG HIS A 74 13.470 9.099 1.932 1.00 0.00 C ATOM 1183 ND1 HIS A 74 13.396 10.110 2.869 1.00 0.00 N ATOM 1184 CD2 HIS A 74 14.079 9.639 0.848 1.00 0.00 C ATOM 1185 CE1 HIS A 74 13.939 11.206 2.371 1.00 0.00 C ATOM 1186 NE2 HIS A 74 14.359 10.947 1.148 1.00 0.00 N ATOM 0 H HIS A 74 12.547 5.284 2.628 1.00 0.00 H new ATOM 0 HA HIS A 74 14.821 6.762 1.716 1.00 0.00 H new ATOM 0 HB2 HIS A 74 12.423 7.367 1.294 1.00 0.00 H new ATOM 0 HB3 HIS A 74 12.244 7.733 2.998 1.00 0.00 H new ATOM 0 HD2 HIS A 74 14.302 9.133 -0.080 1.00 0.00 H new ATOM 0 HE1 HIS A 74 14.025 12.155 2.880 1.00 0.00 H new ATOM 0 HE2 HIS A 74 14.818 11.612 0.526 1.00 0.00 H new ATOM 1195 N GLY A 75 16.046 6.940 3.884 1.00 0.00 N ATOM 1196 CA GLY A 75 16.778 7.254 5.091 1.00 0.00 C ATOM 1197 C GLY A 75 16.860 6.074 6.036 1.00 0.00 C ATOM 1198 O GLY A 75 17.033 6.248 7.244 1.00 0.00 O ATOM 0 H GLY A 75 16.622 6.620 3.105 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.785 7.577 4.829 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.297 8.090 5.598 1.00 0.00 H new ATOM 1202 N ARG A 76 16.725 4.874 5.484 1.00 0.00 N ATOM 1203 CA ARG A 76 16.811 3.647 6.266 1.00 0.00 C ATOM 1204 C ARG A 76 17.447 2.536 5.441 1.00 0.00 C ATOM 1205 O ARG A 76 17.597 2.675 4.227 1.00 0.00 O ATOM 1206 CB ARG A 76 15.427 3.213 6.757 1.00 0.00 C ATOM 1207 CG ARG A 76 15.050 3.789 8.110 1.00 0.00 C ATOM 1208 CD ARG A 76 14.165 2.826 8.877 1.00 0.00 C ATOM 1209 NE ARG A 76 14.889 1.606 9.220 1.00 0.00 N ATOM 1210 CZ ARG A 76 14.316 0.422 9.417 1.00 0.00 C ATOM 1211 NH1 ARG A 76 12.992 0.305 9.400 1.00 0.00 N ATOM 1212 NH2 ARG A 76 15.073 -0.638 9.659 1.00 0.00 N ATOM 0 H ARG A 76 16.554 4.725 4.490 1.00 0.00 H new ATOM 0 HA ARG A 76 17.437 3.844 7.136 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.680 3.515 6.023 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.396 2.125 6.814 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.952 3.998 8.685 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.531 4.738 7.975 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.803 3.306 9.786 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.289 2.577 8.278 1.00 0.00 H new ATOM 0 HE ARG A 76 15.903 1.665 9.315 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.410 1.126 9.235 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.559 -0.606 9.552 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.088 -0.543 9.693 1.00 0.00 H new ATOM 0 HH22 ARG A 76 14.641 -1.549 9.811 1.00 0.00 H new ATOM 1226 N ASP A 77 17.816 1.440 6.101 1.00 0.00 N ATOM 1227 CA ASP A 77 18.456 0.313 5.430 1.00 0.00 C ATOM 1228 C ASP A 77 17.527 -0.317 4.406 1.00 0.00 C ATOM 1229 O ASP A 77 16.503 -0.906 4.749 1.00 0.00 O ATOM 1230 CB ASP A 77 18.900 -0.739 6.438 1.00 0.00 C ATOM 1231 CG ASP A 77 19.629 -1.889 5.772 1.00 0.00 C ATOM 1232 OD1 ASP A 77 20.849 -1.764 5.523 1.00 0.00 O ATOM 1233 OD2 ASP A 77 18.990 -2.918 5.488 1.00 0.00 O ATOM 0 H ASP A 77 17.682 1.309 7.104 1.00 0.00 H new ATOM 0 HA ASP A 77 19.334 0.699 4.912 1.00 0.00 H new ATOM 0 HB2 ASP A 77 19.551 -0.278 7.181 1.00 0.00 H new ATOM 0 HB3 ASP A 77 18.029 -1.121 6.971 1.00 0.00 H new ATOM 1238 N ALA A 78 17.916 -0.189 3.151 1.00 0.00 N ATOM 1239 CA ALA A 78 17.125 -0.661 2.027 1.00 0.00 C ATOM 1240 C ALA A 78 16.985 -2.177 2.025 1.00 0.00 C ATOM 1241 O ALA A 78 15.970 -2.712 1.581 1.00 0.00 O ATOM 1242 CB ALA A 78 17.767 -0.199 0.734 1.00 0.00 C ATOM 0 H ALA A 78 18.796 0.249 2.880 1.00 0.00 H new ATOM 0 HA ALA A 78 16.123 -0.242 2.120 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.176 -0.551 -0.112 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.810 0.890 0.718 1.00 0.00 H new ATOM 0 HB3 ALA A 78 18.777 -0.603 0.665 1.00 0.00 H new ATOM 1248 N GLU A 79 17.998 -2.862 2.531 1.00 0.00 N ATOM 1249 CA GLU A 79 18.016 -4.319 2.507 1.00 0.00 C ATOM 1250 C GLU A 79 16.960 -4.897 3.443 1.00 0.00 C ATOM 1251 O GLU A 79 16.249 -5.839 3.081 1.00 0.00 O ATOM 1252 CB GLU A 79 19.402 -4.851 2.862 1.00 0.00 C ATOM 1253 CG GLU A 79 20.471 -4.454 1.858 1.00 0.00 C ATOM 1254 CD GLU A 79 21.758 -5.229 2.032 1.00 0.00 C ATOM 1255 OE1 GLU A 79 21.992 -6.178 1.251 1.00 0.00 O ATOM 1256 OE2 GLU A 79 22.543 -4.896 2.943 1.00 0.00 O ATOM 0 H GLU A 79 18.818 -2.435 2.963 1.00 0.00 H new ATOM 0 HA GLU A 79 17.777 -4.639 1.493 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.684 -4.482 3.848 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.361 -5.938 2.928 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.091 -4.612 0.849 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.678 -3.388 1.957 1.00 0.00 H new ATOM 1263 N GLU A 80 16.849 -4.329 4.641 1.00 0.00 N ATOM 1264 CA GLU A 80 15.810 -4.736 5.572 1.00 0.00 C ATOM 1265 C GLU A 80 14.440 -4.397 4.998 1.00 0.00 C ATOM 1266 O GLU A 80 13.518 -5.211 5.044 1.00 0.00 O ATOM 1267 CB GLU A 80 15.995 -4.062 6.932 1.00 0.00 C ATOM 1268 CG GLU A 80 14.929 -4.469 7.936 1.00 0.00 C ATOM 1269 CD GLU A 80 15.152 -3.904 9.322 1.00 0.00 C ATOM 1270 OE1 GLU A 80 16.164 -4.256 9.962 1.00 0.00 O ATOM 1271 OE2 GLU A 80 14.299 -3.122 9.795 1.00 0.00 O ATOM 0 H GLU A 80 17.463 -3.591 4.985 1.00 0.00 H new ATOM 0 HA GLU A 80 15.882 -5.814 5.718 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.978 -4.316 7.328 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.973 -2.980 6.803 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.955 -4.141 7.572 1.00 0.00 H new ATOM 0 HG3 GLU A 80 14.897 -5.557 7.997 1.00 0.00 H new ATOM 1278 N VAL A 81 14.324 -3.197 4.437 1.00 0.00 N ATOM 1279 CA VAL A 81 13.082 -2.748 3.818 1.00 0.00 C ATOM 1280 C VAL A 81 12.631 -3.707 2.714 1.00 0.00 C ATOM 1281 O VAL A 81 11.480 -4.143 2.696 1.00 0.00 O ATOM 1282 CB VAL A 81 13.238 -1.328 3.253 1.00 0.00 C ATOM 1283 CG1 VAL A 81 12.007 -0.905 2.470 1.00 0.00 C ATOM 1284 CG2 VAL A 81 13.505 -0.360 4.383 1.00 0.00 C ATOM 0 H VAL A 81 15.081 -2.514 4.399 1.00 0.00 H new ATOM 0 HA VAL A 81 12.315 -2.736 4.592 1.00 0.00 H new ATOM 0 HB VAL A 81 14.083 -1.322 2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.150 0.104 2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.850 -1.593 1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.136 -0.923 3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.616 0.647 3.981 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.671 -0.381 5.085 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.421 -0.647 4.899 1.00 0.00 H new ATOM 1294 N ARG A 82 13.548 -4.033 1.803 1.00 0.00 N ATOM 1295 CA ARG A 82 13.276 -4.990 0.736 1.00 0.00 C ATOM 1296 C ARG A 82 12.804 -6.319 1.313 1.00 0.00 C ATOM 1297 O ARG A 82 11.852 -6.921 0.821 1.00 0.00 O ATOM 1298 CB ARG A 82 14.538 -5.219 -0.091 1.00 0.00 C ATOM 1299 CG ARG A 82 14.286 -6.015 -1.356 1.00 0.00 C ATOM 1300 CD ARG A 82 15.585 -6.371 -2.053 1.00 0.00 C ATOM 1301 NE ARG A 82 15.356 -7.077 -3.312 1.00 0.00 N ATOM 1302 CZ ARG A 82 16.328 -7.533 -4.100 1.00 0.00 C ATOM 1303 NH1 ARG A 82 17.602 -7.348 -3.776 1.00 0.00 N ATOM 1304 NH2 ARG A 82 16.023 -8.172 -5.217 1.00 0.00 N ATOM 0 H ARG A 82 14.491 -3.644 1.785 1.00 0.00 H new ATOM 0 HA ARG A 82 12.490 -4.581 0.101 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.971 -4.254 -0.356 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.275 -5.742 0.519 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.741 -6.927 -1.112 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.655 -5.437 -2.032 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.154 -5.461 -2.246 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.191 -6.993 -1.394 1.00 0.00 H new ATOM 0 HE ARG A 82 14.391 -7.230 -3.606 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.843 -6.853 -2.917 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.340 -7.701 -4.386 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.046 -8.314 -5.473 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.765 -8.523 -5.823 1.00 0.00 H new ATOM 1318 N THR A 83 13.475 -6.750 2.369 1.00 0.00 N ATOM 1319 CA THR A 83 13.172 -8.013 3.022 1.00 0.00 C ATOM 1320 C THR A 83 11.768 -7.997 3.633 1.00 0.00 C ATOM 1321 O THR A 83 10.960 -8.896 3.388 1.00 0.00 O ATOM 1322 CB THR A 83 14.224 -8.301 4.112 1.00 0.00 C ATOM 1323 OG1 THR A 83 15.471 -8.658 3.498 1.00 0.00 O ATOM 1324 CG2 THR A 83 13.773 -9.401 5.059 1.00 0.00 C ATOM 0 H THR A 83 14.244 -6.235 2.797 1.00 0.00 H new ATOM 0 HA THR A 83 13.202 -8.804 2.272 1.00 0.00 H new ATOM 0 HB THR A 83 14.351 -7.394 4.703 1.00 0.00 H new ATOM 0 HG1 THR A 83 15.964 -7.845 3.261 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.543 -9.572 5.811 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.847 -9.102 5.550 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.605 -10.319 4.496 1.00 0.00 H new ATOM 1332 N GLU A 84 11.490 -6.960 4.423 1.00 0.00 N ATOM 1333 CA GLU A 84 10.186 -6.797 5.066 1.00 0.00 C ATOM 1334 C GLU A 84 9.053 -6.840 4.044 1.00 0.00 C ATOM 1335 O GLU A 84 8.012 -7.451 4.289 1.00 0.00 O ATOM 1336 CB GLU A 84 10.119 -5.486 5.848 1.00 0.00 C ATOM 1337 CG GLU A 84 10.960 -5.478 7.112 1.00 0.00 C ATOM 1338 CD GLU A 84 10.537 -6.538 8.105 1.00 0.00 C ATOM 1339 OE1 GLU A 84 11.277 -7.527 8.276 1.00 0.00 O ATOM 1340 OE2 GLU A 84 9.456 -6.391 8.716 1.00 0.00 O ATOM 0 H GLU A 84 12.155 -6.216 4.634 1.00 0.00 H new ATOM 0 HA GLU A 84 10.064 -7.630 5.758 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.446 -4.672 5.201 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.081 -5.285 6.113 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.006 -5.631 6.848 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.891 -4.497 7.583 1.00 0.00 H new ATOM 1347 N VAL A 85 9.262 -6.182 2.908 1.00 0.00 N ATOM 1348 CA VAL A 85 8.298 -6.202 1.819 1.00 0.00 C ATOM 1349 C VAL A 85 8.077 -7.628 1.311 1.00 0.00 C ATOM 1350 O VAL A 85 6.946 -8.123 1.283 1.00 0.00 O ATOM 1351 CB VAL A 85 8.774 -5.315 0.649 1.00 0.00 C ATOM 1352 CG1 VAL A 85 7.950 -5.576 -0.598 1.00 0.00 C ATOM 1353 CG2 VAL A 85 8.710 -3.848 1.029 1.00 0.00 C ATOM 0 H VAL A 85 10.096 -5.626 2.719 1.00 0.00 H new ATOM 0 HA VAL A 85 7.358 -5.811 2.207 1.00 0.00 H new ATOM 0 HB VAL A 85 9.811 -5.571 0.432 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.305 -4.939 -1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.050 -6.622 -0.888 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.902 -5.355 -0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.050 -3.240 0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.683 -3.581 1.278 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.351 -3.667 1.892 1.00 0.00 H new ATOM 1363 N LEU A 86 9.174 -8.286 0.936 1.00 0.00 N ATOM 1364 CA LEU A 86 9.132 -9.621 0.349 1.00 0.00 C ATOM 1365 C LEU A 86 8.439 -10.620 1.265 1.00 0.00 C ATOM 1366 O LEU A 86 7.791 -11.553 0.793 1.00 0.00 O ATOM 1367 CB LEU A 86 10.545 -10.105 0.041 1.00 0.00 C ATOM 1368 CG LEU A 86 11.236 -9.378 -1.105 1.00 0.00 C ATOM 1369 CD1 LEU A 86 12.724 -9.669 -1.085 1.00 0.00 C ATOM 1370 CD2 LEU A 86 10.629 -9.795 -2.433 1.00 0.00 C ATOM 0 H LEU A 86 10.116 -7.907 1.032 1.00 0.00 H new ATOM 0 HA LEU A 86 8.556 -9.554 -0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.154 -9.999 0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.506 -11.169 -0.194 1.00 0.00 H new ATOM 0 HG LEU A 86 11.091 -8.305 -0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.208 -9.144 -1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.148 -9.331 -0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.886 -10.741 -1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.132 -9.268 -3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.751 -10.870 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.568 -9.547 -2.442 1.00 0.00 H new ATOM 1382 N LYS A 87 8.564 -10.403 2.571 1.00 0.00 N ATOM 1383 CA LYS A 87 7.950 -11.282 3.562 1.00 0.00 C ATOM 1384 C LYS A 87 6.449 -11.420 3.335 1.00 0.00 C ATOM 1385 O LYS A 87 5.852 -12.439 3.687 1.00 0.00 O ATOM 1386 CB LYS A 87 8.204 -10.762 4.980 1.00 0.00 C ATOM 1387 CG LYS A 87 9.600 -11.046 5.507 1.00 0.00 C ATOM 1388 CD LYS A 87 9.771 -10.507 6.918 1.00 0.00 C ATOM 1389 CE LYS A 87 11.162 -10.782 7.463 1.00 0.00 C ATOM 1390 NZ LYS A 87 11.379 -10.122 8.775 1.00 0.00 N ATOM 0 H LYS A 87 9.087 -9.623 2.969 1.00 0.00 H new ATOM 0 HA LYS A 87 8.410 -12.264 3.449 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.034 -9.685 4.996 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.475 -11.210 5.655 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.783 -12.120 5.500 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.340 -10.592 4.848 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.585 -9.433 6.922 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.028 -10.961 7.573 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.305 -11.857 7.569 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.908 -10.430 6.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.074 -10.665 9.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.735 -9.157 8.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.480 -10.082 9.296 1.00 0.00 H new ATOM 1404 N CYS A 88 5.835 -10.397 2.758 1.00 0.00 N ATOM 1405 CA CYS A 88 4.399 -10.419 2.538 1.00 0.00 C ATOM 1406 C CYS A 88 4.024 -10.248 1.071 1.00 0.00 C ATOM 1407 O CYS A 88 2.859 -10.003 0.746 1.00 0.00 O ATOM 1408 CB CYS A 88 3.716 -9.378 3.411 1.00 0.00 C ATOM 1409 SG CYS A 88 3.365 -10.000 5.086 1.00 0.00 S ATOM 0 H CYS A 88 6.304 -9.550 2.437 1.00 0.00 H new ATOM 0 HA CYS A 88 4.042 -11.408 2.827 1.00 0.00 H new ATOM 0 HB2 CYS A 88 4.349 -8.493 3.480 1.00 0.00 H new ATOM 0 HB3 CYS A 88 2.784 -9.067 2.939 1.00 0.00 H new ATOM 1414 N VAL A 89 5.000 -10.372 0.180 1.00 0.00 N ATOM 1415 CA VAL A 89 4.709 -10.401 -1.242 1.00 0.00 C ATOM 1416 C VAL A 89 4.190 -11.782 -1.628 1.00 0.00 C ATOM 1417 O VAL A 89 4.958 -12.728 -1.804 1.00 0.00 O ATOM 1418 CB VAL A 89 5.947 -10.047 -2.088 1.00 0.00 C ATOM 1419 CG1 VAL A 89 5.660 -10.233 -3.566 1.00 0.00 C ATOM 1420 CG2 VAL A 89 6.384 -8.620 -1.818 1.00 0.00 C ATOM 0 H VAL A 89 5.989 -10.453 0.416 1.00 0.00 H new ATOM 0 HA VAL A 89 3.947 -9.648 -1.445 1.00 0.00 H new ATOM 0 HB VAL A 89 6.755 -10.722 -1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.548 -9.977 -4.144 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.390 -11.272 -3.756 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.836 -9.584 -3.861 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.260 -8.387 -2.424 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.574 -7.937 -2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.633 -8.509 -0.763 1.00 0.00 H new ATOM 1430 N ASP A 90 2.879 -11.887 -1.737 1.00 0.00 N ATOM 1431 CA ASP A 90 2.235 -13.153 -2.055 1.00 0.00 C ATOM 1432 C ASP A 90 1.564 -13.092 -3.419 1.00 0.00 C ATOM 1433 O ASP A 90 1.635 -12.076 -4.107 1.00 0.00 O ATOM 1434 CB ASP A 90 1.209 -13.535 -0.982 1.00 0.00 C ATOM 1435 CG ASP A 90 1.852 -14.090 0.276 1.00 0.00 C ATOM 1436 OD1 ASP A 90 2.353 -15.235 0.233 1.00 0.00 O ATOM 1437 OD2 ASP A 90 1.839 -13.401 1.320 1.00 0.00 O ATOM 0 H ASP A 90 2.234 -11.107 -1.610 1.00 0.00 H new ATOM 0 HA ASP A 90 3.010 -13.919 -2.080 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.616 -12.658 -0.724 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.522 -14.276 -1.390 1.00 0.00 H new ATOM 1442 N LYS A 91 0.903 -14.179 -3.792 1.00 0.00 N ATOM 1443 CA LYS A 91 0.285 -14.299 -5.108 1.00 0.00 C ATOM 1444 C LYS A 91 -1.212 -14.025 -5.026 1.00 0.00 C ATOM 1445 O LYS A 91 -1.804 -14.050 -3.941 1.00 0.00 O ATOM 1446 CB LYS A 91 0.531 -15.700 -5.677 1.00 0.00 C ATOM 1447 CG LYS A 91 1.964 -16.178 -5.512 1.00 0.00 C ATOM 1448 CD LYS A 91 2.168 -17.565 -6.100 1.00 0.00 C ATOM 1449 CE LYS A 91 3.614 -18.021 -5.967 1.00 0.00 C ATOM 1450 NZ LYS A 91 4.014 -18.234 -4.548 1.00 0.00 N ATOM 0 H LYS A 91 0.780 -14.998 -3.197 1.00 0.00 H new ATOM 0 HA LYS A 91 0.736 -13.560 -5.770 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.138 -16.406 -5.185 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.275 -15.703 -6.736 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.640 -15.474 -5.998 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.223 -16.190 -4.453 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.514 -18.275 -5.595 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.882 -17.561 -7.152 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.752 -18.948 -6.524 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.270 -17.277 -6.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.957 -18.671 -4.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.039 -17.320 -4.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.326 -18.860 -4.084 1.00 0.00 H new ATOM 1464 N ASN A 92 -1.812 -13.766 -6.184 1.00 0.00 N ATOM 1465 CA ASN A 92 -3.235 -13.444 -6.282 1.00 0.00 C ATOM 1466 C ASN A 92 -4.087 -14.701 -6.121 1.00 0.00 C ATOM 1467 O ASN A 92 -4.729 -15.166 -7.061 1.00 0.00 O ATOM 1468 CB ASN A 92 -3.522 -12.768 -7.626 1.00 0.00 C ATOM 1469 CG ASN A 92 -4.940 -12.235 -7.742 1.00 0.00 C ATOM 1470 OD1 ASN A 92 -5.609 -11.980 -6.739 1.00 0.00 O ATOM 1471 ND2 ASN A 92 -5.392 -12.038 -8.973 1.00 0.00 N ATOM 0 H ASN A 92 -1.327 -13.773 -7.081 1.00 0.00 H new ATOM 0 HA ASN A 92 -3.495 -12.757 -5.477 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.820 -11.946 -7.768 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.343 -13.483 -8.429 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -6.329 -11.661 -9.118 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.803 -12.263 -9.775 1.00 0.00 H new ATOM 1478 N THR A 93 -4.083 -15.236 -4.910 1.00 0.00 N ATOM 1479 CA THR A 93 -4.818 -16.449 -4.586 1.00 0.00 C ATOM 1480 C THR A 93 -6.309 -16.174 -4.401 1.00 0.00 C ATOM 1481 O THR A 93 -7.126 -17.095 -4.400 1.00 0.00 O ATOM 1482 CB THR A 93 -4.251 -17.083 -3.304 1.00 0.00 C ATOM 1483 OG1 THR A 93 -4.241 -16.119 -2.239 1.00 0.00 O ATOM 1484 CG2 THR A 93 -2.841 -17.590 -3.539 1.00 0.00 C ATOM 0 H THR A 93 -3.569 -14.841 -4.123 1.00 0.00 H new ATOM 0 HA THR A 93 -4.701 -17.137 -5.423 1.00 0.00 H new ATOM 0 HB THR A 93 -4.888 -17.923 -3.027 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.355 -15.705 -2.181 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.457 -18.035 -2.621 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.851 -18.340 -4.330 1.00 0.00 H new ATOM 0 HG23 THR A 93 -2.200 -16.759 -3.835 1.00 0.00 H new ATOM 1492 N ASP A 94 -6.662 -14.906 -4.245 1.00 0.00 N ATOM 1493 CA ASP A 94 -8.056 -14.525 -4.039 1.00 0.00 C ATOM 1494 C ASP A 94 -8.729 -14.214 -5.373 1.00 0.00 C ATOM 1495 O ASP A 94 -9.952 -14.100 -5.458 1.00 0.00 O ATOM 1496 CB ASP A 94 -8.146 -13.317 -3.102 1.00 0.00 C ATOM 1497 CG ASP A 94 -9.577 -12.933 -2.779 1.00 0.00 C ATOM 1498 OD1 ASP A 94 -10.271 -13.715 -2.092 1.00 0.00 O ATOM 1499 OD2 ASP A 94 -10.008 -11.841 -3.194 1.00 0.00 O ATOM 0 H ASP A 94 -6.007 -14.125 -4.257 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.578 -15.363 -3.577 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.616 -13.540 -2.176 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -7.641 -12.467 -3.561 1.00 0.00 H new ATOM 1504 N ASN A 95 -7.905 -14.102 -6.415 1.00 0.00 N ATOM 1505 CA ASN A 95 -8.367 -13.809 -7.773 1.00 0.00 C ATOM 1506 C ASN A 95 -8.989 -12.417 -7.865 1.00 0.00 C ATOM 1507 O ASN A 95 -9.798 -12.146 -8.753 1.00 0.00 O ATOM 1508 CB ASN A 95 -9.364 -14.860 -8.270 1.00 0.00 C ATOM 1509 CG ASN A 95 -8.737 -16.221 -8.504 1.00 0.00 C ATOM 1510 OD1 ASN A 95 -7.767 -16.602 -7.847 1.00 0.00 O ATOM 1511 ND2 ASN A 95 -9.293 -16.968 -9.441 1.00 0.00 N ATOM 0 H ASN A 95 -6.894 -14.212 -6.341 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.487 -13.839 -8.416 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -10.169 -14.959 -7.542 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.815 -14.511 -9.199 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.920 -17.896 -9.642 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -10.095 -16.617 -9.964 1.00 0.00 H new ATOM 1518 N ASN A 96 -8.591 -11.540 -6.952 1.00 0.00 N ATOM 1519 CA ASN A 96 -9.102 -10.177 -6.911 1.00 0.00 C ATOM 1520 C ASN A 96 -7.996 -9.218 -6.486 1.00 0.00 C ATOM 1521 O ASN A 96 -7.410 -9.367 -5.412 1.00 0.00 O ATOM 1522 CB ASN A 96 -10.290 -10.093 -5.945 1.00 0.00 C ATOM 1523 CG ASN A 96 -10.705 -8.666 -5.619 1.00 0.00 C ATOM 1524 OD1 ASN A 96 -10.545 -7.748 -6.426 1.00 0.00 O ATOM 1525 ND2 ASN A 96 -11.246 -8.474 -4.429 1.00 0.00 N ATOM 0 H ASN A 96 -7.909 -11.752 -6.224 1.00 0.00 H new ATOM 0 HA ASN A 96 -9.443 -9.892 -7.906 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -11.140 -10.620 -6.379 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -10.033 -10.609 -5.020 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -11.548 -7.540 -4.151 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -11.362 -9.259 -3.789 1.00 0.00 H new ATOM 1532 N ALA A 97 -7.724 -8.231 -7.333 1.00 0.00 N ATOM 1533 CA ALA A 97 -6.632 -7.294 -7.104 1.00 0.00 C ATOM 1534 C ALA A 97 -6.885 -6.417 -5.885 1.00 0.00 C ATOM 1535 O ALA A 97 -5.944 -5.909 -5.281 1.00 0.00 O ATOM 1536 CB ALA A 97 -6.411 -6.428 -8.332 1.00 0.00 C ATOM 0 H ALA A 97 -8.250 -8.059 -8.190 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.734 -7.881 -6.911 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.592 -5.733 -8.145 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.162 -7.061 -9.184 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.320 -5.867 -8.550 1.00 0.00 H new ATOM 1542 N CYS A 98 -8.151 -6.233 -5.522 1.00 0.00 N ATOM 1543 CA CYS A 98 -8.482 -5.436 -4.345 1.00 0.00 C ATOM 1544 C CYS A 98 -7.979 -6.126 -3.080 1.00 0.00 C ATOM 1545 O CYS A 98 -7.367 -5.492 -2.221 1.00 0.00 O ATOM 1546 CB CYS A 98 -9.992 -5.173 -4.248 1.00 0.00 C ATOM 1547 SG CYS A 98 -10.706 -4.346 -5.710 1.00 0.00 S ATOM 0 H CYS A 98 -8.955 -6.619 -6.018 1.00 0.00 H new ATOM 0 HA CYS A 98 -7.984 -4.471 -4.445 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -10.505 -6.122 -4.095 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -10.186 -4.561 -3.368 1.00 0.00 H new ATOM 1552 N HIS A 99 -8.190 -7.433 -2.989 1.00 0.00 N ATOM 1553 CA HIS A 99 -7.782 -8.185 -1.809 1.00 0.00 C ATOM 1554 C HIS A 99 -6.274 -8.434 -1.847 1.00 0.00 C ATOM 1555 O HIS A 99 -5.618 -8.511 -0.810 1.00 0.00 O ATOM 1556 CB HIS A 99 -8.543 -9.516 -1.741 1.00 0.00 C ATOM 1557 CG HIS A 99 -8.542 -10.174 -0.386 1.00 0.00 C ATOM 1558 ND1 HIS A 99 -9.690 -10.642 0.214 1.00 0.00 N ATOM 1559 CD2 HIS A 99 -7.532 -10.458 0.475 1.00 0.00 C ATOM 1560 CE1 HIS A 99 -9.388 -11.179 1.382 1.00 0.00 C ATOM 1561 NE2 HIS A 99 -8.088 -11.080 1.564 1.00 0.00 N ATOM 0 H HIS A 99 -8.639 -7.992 -3.714 1.00 0.00 H new ATOM 0 HA HIS A 99 -8.020 -7.605 -0.917 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.575 -9.344 -2.046 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -8.108 -10.205 -2.465 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.485 -10.236 0.330 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -10.089 -11.624 2.072 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.577 -11.412 2.382 1.00 0.00 H new ATOM 1570 N TRP A 100 -5.734 -8.539 -3.055 1.00 0.00 N ATOM 1571 CA TRP A 100 -4.311 -8.811 -3.250 1.00 0.00 C ATOM 1572 C TRP A 100 -3.465 -7.635 -2.765 1.00 0.00 C ATOM 1573 O TRP A 100 -2.570 -7.800 -1.932 1.00 0.00 O ATOM 1574 CB TRP A 100 -4.032 -9.094 -4.731 1.00 0.00 C ATOM 1575 CG TRP A 100 -2.637 -9.566 -5.021 1.00 0.00 C ATOM 1576 CD1 TRP A 100 -1.681 -9.938 -4.117 1.00 0.00 C ATOM 1577 CD2 TRP A 100 -2.050 -9.738 -6.315 1.00 0.00 C ATOM 1578 NE1 TRP A 100 -0.537 -10.319 -4.774 1.00 0.00 N ATOM 1579 CE2 TRP A 100 -0.741 -10.210 -6.122 1.00 0.00 C ATOM 1580 CE3 TRP A 100 -2.508 -9.538 -7.619 1.00 0.00 C ATOM 1581 CZ2 TRP A 100 0.116 -10.488 -7.185 1.00 0.00 C ATOM 1582 CZ3 TRP A 100 -1.659 -9.813 -8.673 1.00 0.00 C ATOM 1583 CH2 TRP A 100 -0.360 -10.284 -8.451 1.00 0.00 C ATOM 0 H TRP A 100 -6.263 -8.439 -3.922 1.00 0.00 H new ATOM 0 HA TRP A 100 -4.040 -9.689 -2.664 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -4.738 -9.846 -5.084 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -4.222 -8.186 -5.304 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -1.807 -9.933 -3.044 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.325 -10.633 -4.329 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -3.509 -9.175 -7.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 1.119 -10.851 -7.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -2.003 -9.662 -9.685 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.280 -10.491 -9.296 1.00 0.00 H new ATOM 1594 N ALA A 101 -3.765 -6.448 -3.279 1.00 0.00 N ATOM 1595 CA ALA A 101 -3.026 -5.247 -2.923 1.00 0.00 C ATOM 1596 C ALA A 101 -3.219 -4.908 -1.454 1.00 0.00 C ATOM 1597 O ALA A 101 -2.292 -4.454 -0.780 1.00 0.00 O ATOM 1598 CB ALA A 101 -3.466 -4.084 -3.795 1.00 0.00 C ATOM 0 H ALA A 101 -4.520 -6.293 -3.947 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.966 -5.434 -3.092 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.906 -3.190 -3.519 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.277 -4.322 -4.842 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.531 -3.904 -3.651 1.00 0.00 H new ATOM 1604 N PHE A 102 -4.425 -5.150 -0.957 1.00 0.00 N ATOM 1605 CA PHE A 102 -4.746 -4.850 0.425 1.00 0.00 C ATOM 1606 C PHE A 102 -3.974 -5.770 1.365 1.00 0.00 C ATOM 1607 O PHE A 102 -3.620 -5.379 2.470 1.00 0.00 O ATOM 1608 CB PHE A 102 -6.248 -4.977 0.668 1.00 0.00 C ATOM 1609 CG PHE A 102 -6.679 -4.502 2.030 1.00 0.00 C ATOM 1610 CD1 PHE A 102 -6.732 -3.146 2.310 1.00 0.00 C ATOM 1611 CD2 PHE A 102 -7.042 -5.402 3.023 1.00 0.00 C ATOM 1612 CE1 PHE A 102 -7.135 -2.693 3.552 1.00 0.00 C ATOM 1613 CE2 PHE A 102 -7.445 -4.954 4.266 1.00 0.00 C ATOM 1614 CZ PHE A 102 -7.493 -3.599 4.531 1.00 0.00 C ATOM 0 H PHE A 102 -5.194 -5.553 -1.493 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.451 -3.821 0.629 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.780 -4.406 -0.092 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.541 -6.020 0.546 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -6.455 -2.433 1.547 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -7.009 -6.463 2.822 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.170 -1.633 3.756 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -7.723 -5.664 5.031 1.00 0.00 H new ATOM 0 HZ PHE A 102 -7.810 -3.249 5.502 1.00 0.00 H new ATOM 1624 N ARG A 103 -3.700 -6.990 0.905 1.00 0.00 N ATOM 1625 CA ARG A 103 -2.956 -7.962 1.699 1.00 0.00 C ATOM 1626 C ARG A 103 -1.553 -7.440 1.983 1.00 0.00 C ATOM 1627 O ARG A 103 -1.076 -7.483 3.122 1.00 0.00 O ATOM 1628 CB ARG A 103 -2.865 -9.302 0.962 1.00 0.00 C ATOM 1629 CG ARG A 103 -2.162 -10.377 1.779 1.00 0.00 C ATOM 1630 CD ARG A 103 -1.924 -11.664 0.987 1.00 0.00 C ATOM 1631 NE ARG A 103 -3.164 -12.305 0.559 1.00 0.00 N ATOM 1632 CZ ARG A 103 -3.252 -13.107 -0.502 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -2.192 -13.302 -1.277 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -4.397 -13.712 -0.788 1.00 0.00 N ATOM 0 H ARG A 103 -3.983 -7.327 -0.015 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.484 -8.113 2.641 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -3.869 -9.642 0.710 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.332 -9.159 0.022 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.206 -9.991 2.132 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -2.759 -10.605 2.662 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -1.316 -11.438 0.111 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -1.353 -12.362 1.600 1.00 0.00 H new ATOM 0 HE ARG A 103 -4.010 -12.129 1.102 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -1.310 -12.838 -1.061 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -2.260 -13.916 -2.089 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -5.214 -13.564 -0.195 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -4.461 -14.325 -1.601 1.00 0.00 H new ATOM 1648 N GLY A 104 -0.908 -6.932 0.941 1.00 0.00 N ATOM 1649 CA GLY A 104 0.446 -6.434 1.073 1.00 0.00 C ATOM 1650 C GLY A 104 0.520 -5.211 1.965 1.00 0.00 C ATOM 1651 O GLY A 104 1.368 -5.131 2.856 1.00 0.00 O ATOM 0 H GLY A 104 -1.301 -6.856 0.003 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.082 -7.219 1.482 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.839 -6.187 0.087 1.00 0.00 H new ATOM 1655 N PHE A 105 -0.389 -4.271 1.737 1.00 0.00 N ATOM 1656 CA PHE A 105 -0.413 -3.027 2.491 1.00 0.00 C ATOM 1657 C PHE A 105 -0.740 -3.286 3.959 1.00 0.00 C ATOM 1658 O PHE A 105 -0.102 -2.732 4.851 1.00 0.00 O ATOM 1659 CB PHE A 105 -1.424 -2.058 1.866 1.00 0.00 C ATOM 1660 CG PHE A 105 -1.698 -0.834 2.695 1.00 0.00 C ATOM 1661 CD1 PHE A 105 -2.996 -0.474 3.025 1.00 0.00 C ATOM 1662 CD2 PHE A 105 -0.652 -0.044 3.145 1.00 0.00 C ATOM 1663 CE1 PHE A 105 -3.243 0.651 3.785 1.00 0.00 C ATOM 1664 CE2 PHE A 105 -0.896 1.083 3.906 1.00 0.00 C ATOM 1665 CZ PHE A 105 -2.192 1.430 4.226 1.00 0.00 C ATOM 0 H PHE A 105 -1.122 -4.349 1.032 1.00 0.00 H new ATOM 0 HA PHE A 105 0.577 -2.573 2.449 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.055 -1.746 0.889 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.362 -2.587 1.699 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -3.822 -1.080 2.684 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.365 -0.312 2.898 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -4.258 0.922 4.035 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -0.073 1.692 4.250 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.384 2.310 4.821 1.00 0.00 H new ATOM 1675 N LYS A 106 -1.711 -4.159 4.194 1.00 0.00 N ATOM 1676 CA LYS A 106 -2.178 -4.462 5.545 1.00 0.00 C ATOM 1677 C LYS A 106 -1.065 -5.083 6.383 1.00 0.00 C ATOM 1678 O LYS A 106 -0.855 -4.694 7.531 1.00 0.00 O ATOM 1679 CB LYS A 106 -3.404 -5.387 5.492 1.00 0.00 C ATOM 1680 CG LYS A 106 -3.592 -6.251 6.725 1.00 0.00 C ATOM 1681 CD LYS A 106 -4.724 -7.249 6.531 1.00 0.00 C ATOM 1682 CE LYS A 106 -4.860 -8.195 7.715 1.00 0.00 C ATOM 1683 NZ LYS A 106 -5.960 -9.173 7.516 1.00 0.00 N ATOM 0 H LYS A 106 -2.196 -4.675 3.460 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.471 -3.527 6.023 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -4.297 -4.778 5.350 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.318 -6.034 4.619 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -2.667 -6.785 6.943 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -3.805 -5.618 7.586 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.661 -6.711 6.388 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -4.546 -7.827 5.624 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -3.921 -8.729 7.863 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -5.046 -7.619 8.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -5.718 -10.068 7.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -6.839 -8.795 7.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -6.095 -9.342 6.499 1.00 0.00 H new ATOM 1697 N CYS A 107 -0.352 -6.037 5.800 1.00 0.00 N ATOM 1698 CA CYS A 107 0.740 -6.699 6.493 1.00 0.00 C ATOM 1699 C CYS A 107 1.840 -5.717 6.866 1.00 0.00 C ATOM 1700 O CYS A 107 2.278 -5.665 8.015 1.00 0.00 O ATOM 1701 CB CYS A 107 1.330 -7.811 5.629 1.00 0.00 C ATOM 1702 SG CYS A 107 2.990 -8.334 6.169 1.00 0.00 S ATOM 0 H CYS A 107 -0.512 -6.368 4.849 1.00 0.00 H new ATOM 0 HA CYS A 107 0.329 -7.127 7.408 1.00 0.00 H new ATOM 0 HB2 CYS A 107 0.661 -8.671 5.648 1.00 0.00 H new ATOM 0 HB3 CYS A 107 1.382 -7.470 4.595 1.00 0.00 H new ATOM 1707 N PHE A 108 2.269 -4.928 5.893 1.00 0.00 N ATOM 1708 CA PHE A 108 3.426 -4.073 6.072 1.00 0.00 C ATOM 1709 C PHE A 108 3.142 -2.981 7.097 1.00 0.00 C ATOM 1710 O PHE A 108 3.964 -2.718 7.970 1.00 0.00 O ATOM 1711 CB PHE A 108 3.841 -3.464 4.735 1.00 0.00 C ATOM 1712 CG PHE A 108 5.244 -2.924 4.733 1.00 0.00 C ATOM 1713 CD1 PHE A 108 6.298 -3.718 4.308 1.00 0.00 C ATOM 1714 CD2 PHE A 108 5.513 -1.633 5.157 1.00 0.00 C ATOM 1715 CE1 PHE A 108 7.590 -3.235 4.308 1.00 0.00 C ATOM 1716 CE2 PHE A 108 6.805 -1.145 5.158 1.00 0.00 C ATOM 1717 CZ PHE A 108 7.844 -1.948 4.734 1.00 0.00 C ATOM 0 H PHE A 108 1.832 -4.864 4.973 1.00 0.00 H new ATOM 0 HA PHE A 108 4.249 -4.680 6.449 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.750 -4.221 3.956 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.150 -2.660 4.481 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.105 -4.726 3.973 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.703 -1.001 5.491 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.402 -3.864 3.975 1.00 0.00 H new ATOM 0 HE2 PHE A 108 7.002 -0.136 5.490 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.855 -1.569 4.736 1.00 0.00 H new ATOM 1727 N GLN A 109 1.967 -2.365 7.005 1.00 0.00 N ATOM 1728 CA GLN A 109 1.591 -1.294 7.924 1.00 0.00 C ATOM 1729 C GLN A 109 1.405 -1.826 9.344 1.00 0.00 C ATOM 1730 O GLN A 109 1.592 -1.101 10.319 1.00 0.00 O ATOM 1731 CB GLN A 109 0.319 -0.585 7.434 1.00 0.00 C ATOM 1732 CG GLN A 109 -0.948 -1.434 7.454 1.00 0.00 C ATOM 1733 CD GLN A 109 -1.836 -1.151 8.652 1.00 0.00 C ATOM 1734 OE1 GLN A 109 -1.365 -0.763 9.716 1.00 0.00 O ATOM 1735 NE2 GLN A 109 -3.134 -1.345 8.485 1.00 0.00 N ATOM 0 H GLN A 109 1.260 -2.588 6.305 1.00 0.00 H new ATOM 0 HA GLN A 109 2.403 -0.567 7.946 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.155 0.299 8.051 1.00 0.00 H new ATOM 0 HB3 GLN A 109 0.487 -0.236 6.415 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.513 -1.254 6.540 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.672 -2.488 7.455 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -3.490 -1.668 7.585 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.779 -1.171 9.256 1.00 0.00 H new ATOM 1744 N LYS A 110 1.063 -3.101 9.449 1.00 0.00 N ATOM 1745 CA LYS A 110 0.795 -3.725 10.732 1.00 0.00 C ATOM 1746 C LYS A 110 2.060 -3.793 11.584 1.00 0.00 C ATOM 1747 O LYS A 110 1.997 -3.763 12.814 1.00 0.00 O ATOM 1748 CB LYS A 110 0.237 -5.127 10.501 1.00 0.00 C ATOM 1749 CG LYS A 110 -0.131 -5.866 11.769 1.00 0.00 C ATOM 1750 CD LYS A 110 -0.727 -7.228 11.458 1.00 0.00 C ATOM 1751 CE LYS A 110 -1.035 -8.019 12.719 1.00 0.00 C ATOM 1752 NZ LYS A 110 -1.557 -9.372 12.401 1.00 0.00 N ATOM 0 H LYS A 110 0.964 -3.728 8.651 1.00 0.00 H new ATOM 0 HA LYS A 110 0.063 -3.123 11.271 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.647 -5.054 9.867 1.00 0.00 H new ATOM 0 HB3 LYS A 110 0.975 -5.714 9.953 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.755 -5.988 12.392 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.846 -5.276 12.343 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.641 -7.099 10.879 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -0.033 -7.794 10.836 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.132 -8.109 13.322 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.766 -7.478 13.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.756 -9.884 13.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.432 -9.285 11.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -0.848 -9.897 11.849 1.00 0.00 H new ATOM 1766 N ASN A 111 3.209 -3.876 10.926 1.00 0.00 N ATOM 1767 CA ASN A 111 4.473 -4.011 11.634 1.00 0.00 C ATOM 1768 C ASN A 111 5.389 -2.817 11.384 1.00 0.00 C ATOM 1769 O ASN A 111 6.216 -2.474 12.230 1.00 0.00 O ATOM 1770 CB ASN A 111 5.186 -5.303 11.225 1.00 0.00 C ATOM 1771 CG ASN A 111 4.344 -6.543 11.476 1.00 0.00 C ATOM 1772 OD1 ASN A 111 3.613 -7.004 10.597 1.00 0.00 O ATOM 1773 ND2 ASN A 111 4.437 -7.090 12.677 1.00 0.00 N ATOM 0 H ASN A 111 3.291 -3.852 9.910 1.00 0.00 H new ATOM 0 HA ASN A 111 4.244 -4.048 12.699 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.443 -5.252 10.167 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.122 -5.387 11.777 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.892 -7.923 12.902 1.00 0.00 H new ATOM 0 HD22 ASN A 111 5.053 -6.679 13.378 1.00 0.00 H new ATOM 1780 N ASN A 112 5.238 -2.178 10.232 1.00 0.00 N ATOM 1781 CA ASN A 112 6.141 -1.104 9.828 1.00 0.00 C ATOM 1782 C ASN A 112 5.365 0.090 9.276 1.00 0.00 C ATOM 1783 O ASN A 112 5.545 0.484 8.124 1.00 0.00 O ATOM 1784 CB ASN A 112 7.128 -1.614 8.772 1.00 0.00 C ATOM 1785 CG ASN A 112 8.054 -2.699 9.294 1.00 0.00 C ATOM 1786 OD1 ASN A 112 8.518 -2.646 10.434 1.00 0.00 O ATOM 1787 ND2 ASN A 112 8.303 -3.710 8.478 1.00 0.00 N ATOM 0 H ASN A 112 4.499 -2.383 9.559 1.00 0.00 H new ATOM 0 HA ASN A 112 6.691 -0.777 10.710 1.00 0.00 H new ATOM 0 HB2 ASN A 112 6.570 -2.001 7.919 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.726 -0.778 8.409 1.00 0.00 H new ATOM 0 HD21 ASN A 112 8.897 -4.480 8.786 1.00 0.00 H new ATOM 0 HD22 ASN A 112 7.901 -3.720 7.541 1.00 0.00 H new ATOM 1794 N LEU A 113 4.507 0.674 10.104 1.00 0.00 N ATOM 1795 CA LEU A 113 3.688 1.808 9.675 1.00 0.00 C ATOM 1796 C LEU A 113 4.475 3.113 9.773 1.00 0.00 C ATOM 1797 O LEU A 113 4.222 4.064 9.031 1.00 0.00 O ATOM 1798 CB LEU A 113 2.406 1.895 10.510 1.00 0.00 C ATOM 1799 CG LEU A 113 1.523 3.109 10.244 1.00 0.00 C ATOM 1800 CD1 LEU A 113 0.980 3.068 8.825 1.00 0.00 C ATOM 1801 CD2 LEU A 113 0.388 3.159 11.254 1.00 0.00 C ATOM 0 H LEU A 113 4.359 0.386 11.071 1.00 0.00 H new ATOM 0 HA LEU A 113 3.412 1.650 8.632 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.817 0.995 10.332 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.681 1.893 11.565 1.00 0.00 H new ATOM 0 HG LEU A 113 2.123 4.013 10.352 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.352 3.941 8.651 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.809 3.071 8.118 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.389 2.162 8.688 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.237 4.030 11.056 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.213 2.254 11.171 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.800 3.230 12.261 1.00 0.00 H new ATOM 1813 N SER A 114 5.440 3.141 10.680 1.00 0.00 N ATOM 1814 CA SER A 114 6.265 4.328 10.880 1.00 0.00 C ATOM 1815 C SER A 114 7.086 4.611 9.625 1.00 0.00 C ATOM 1816 O SER A 114 7.294 5.767 9.252 1.00 0.00 O ATOM 1817 CB SER A 114 7.186 4.147 12.096 1.00 0.00 C ATOM 1818 OG SER A 114 7.885 5.342 12.401 1.00 0.00 O ATOM 0 H SER A 114 5.673 2.357 11.290 1.00 0.00 H new ATOM 0 HA SER A 114 5.612 5.179 11.072 1.00 0.00 H new ATOM 0 HB2 SER A 114 6.595 3.840 12.959 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.900 3.347 11.897 1.00 0.00 H new ATOM 0 HG SER A 114 8.461 5.194 13.180 1.00 0.00 H new ATOM 1824 N LEU A 115 7.525 3.546 8.963 1.00 0.00 N ATOM 1825 CA LEU A 115 8.302 3.667 7.741 1.00 0.00 C ATOM 1826 C LEU A 115 7.438 4.215 6.611 1.00 0.00 C ATOM 1827 O LEU A 115 7.911 4.964 5.759 1.00 0.00 O ATOM 1828 CB LEU A 115 8.875 2.307 7.352 1.00 0.00 C ATOM 1829 CG LEU A 115 9.841 2.321 6.170 1.00 0.00 C ATOM 1830 CD1 LEU A 115 11.061 3.158 6.503 1.00 0.00 C ATOM 1831 CD2 LEU A 115 10.249 0.905 5.800 1.00 0.00 C ATOM 0 H LEU A 115 7.353 2.585 9.257 1.00 0.00 H new ATOM 0 HA LEU A 115 9.123 4.362 7.917 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.390 1.887 8.216 1.00 0.00 H new ATOM 0 HB3 LEU A 115 8.048 1.636 7.117 1.00 0.00 H new ATOM 0 HG LEU A 115 9.338 2.766 5.312 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.743 3.161 5.653 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.752 4.180 6.724 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.566 2.736 7.372 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.938 0.934 4.956 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.739 0.433 6.652 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.364 0.331 5.527 1.00 0.00 H new ATOM 1843 N ILE A 116 6.162 3.847 6.625 1.00 0.00 N ATOM 1844 CA ILE A 116 5.219 4.318 5.623 1.00 0.00 C ATOM 1845 C ILE A 116 4.995 5.819 5.780 1.00 0.00 C ATOM 1846 O ILE A 116 4.968 6.565 4.800 1.00 0.00 O ATOM 1847 CB ILE A 116 3.870 3.567 5.725 1.00 0.00 C ATOM 1848 CG1 ILE A 116 4.089 2.063 5.531 1.00 0.00 C ATOM 1849 CG2 ILE A 116 2.875 4.101 4.703 1.00 0.00 C ATOM 1850 CD1 ILE A 116 2.815 1.252 5.605 1.00 0.00 C ATOM 0 H ILE A 116 5.758 3.222 7.322 1.00 0.00 H new ATOM 0 HA ILE A 116 5.644 4.118 4.639 1.00 0.00 H new ATOM 0 HB ILE A 116 3.454 3.735 6.719 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.561 1.895 4.563 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.783 1.704 6.291 1.00 0.00 H new ATOM 0 HG21 ILE A 116 1.934 3.558 4.793 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.701 5.162 4.884 1.00 0.00 H new ATOM 0 HG23 ILE A 116 3.277 3.966 3.699 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.046 0.197 5.459 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.352 1.390 6.582 1.00 0.00 H new ATOM 0 HD13 ILE A 116 2.127 1.584 4.827 1.00 0.00 H new ATOM 1862 N LYS A 117 4.859 6.253 7.029 1.00 0.00 N ATOM 1863 CA LYS A 117 4.716 7.667 7.342 1.00 0.00 C ATOM 1864 C LYS A 117 5.984 8.427 6.960 1.00 0.00 C ATOM 1865 O LYS A 117 5.921 9.523 6.403 1.00 0.00 O ATOM 1866 CB LYS A 117 4.427 7.856 8.832 1.00 0.00 C ATOM 1867 CG LYS A 117 3.029 7.412 9.249 1.00 0.00 C ATOM 1868 CD LYS A 117 2.842 7.498 10.760 1.00 0.00 C ATOM 1869 CE LYS A 117 1.425 7.138 11.185 1.00 0.00 C ATOM 1870 NZ LYS A 117 0.433 8.159 10.763 1.00 0.00 N ATOM 0 H LYS A 117 4.845 5.640 7.844 1.00 0.00 H new ATOM 0 HA LYS A 117 3.879 8.063 6.766 1.00 0.00 H new ATOM 0 HB2 LYS A 117 5.163 7.296 9.409 1.00 0.00 H new ATOM 0 HB3 LYS A 117 4.555 8.908 9.087 1.00 0.00 H new ATOM 0 HG2 LYS A 117 2.285 8.036 8.753 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.858 6.388 8.918 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.548 6.828 11.251 1.00 0.00 H new ATOM 0 HD3 LYS A 117 3.075 8.508 11.096 1.00 0.00 H new ATOM 0 HE2 LYS A 117 1.154 6.173 10.757 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.390 7.027 12.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.362 8.168 11.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 0.884 9.096 10.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.081 7.929 9.812 1.00 0.00 H new ATOM 1884 N ALA A 118 7.131 7.826 7.262 1.00 0.00 N ATOM 1885 CA ALA A 118 8.427 8.412 6.945 1.00 0.00 C ATOM 1886 C ALA A 118 8.617 8.564 5.443 1.00 0.00 C ATOM 1887 O ALA A 118 9.155 9.570 4.974 1.00 0.00 O ATOM 1888 CB ALA A 118 9.534 7.553 7.525 1.00 0.00 C ATOM 0 H ALA A 118 7.187 6.922 7.732 1.00 0.00 H new ATOM 0 HA ALA A 118 8.467 9.407 7.388 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.501 7.995 7.285 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.420 7.495 8.607 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.478 6.551 7.100 1.00 0.00 H new ATOM 1894 N SER A 119 8.166 7.563 4.702 1.00 0.00 N ATOM 1895 CA SER A 119 8.295 7.546 3.253 1.00 0.00 C ATOM 1896 C SER A 119 7.640 8.774 2.622 1.00 0.00 C ATOM 1897 O SER A 119 8.251 9.464 1.801 1.00 0.00 O ATOM 1898 CB SER A 119 7.672 6.265 2.692 1.00 0.00 C ATOM 1899 OG SER A 119 7.833 6.180 1.288 1.00 0.00 O ATOM 0 H SER A 119 7.701 6.741 5.088 1.00 0.00 H new ATOM 0 HA SER A 119 9.356 7.571 3.004 1.00 0.00 H new ATOM 0 HB2 SER A 119 8.133 5.398 3.165 1.00 0.00 H new ATOM 0 HB3 SER A 119 6.611 6.237 2.940 1.00 0.00 H new ATOM 0 HG SER A 119 8.787 6.127 1.071 1.00 0.00 H new ATOM 1905 N ILE A 120 6.405 9.068 3.018 1.00 0.00 N ATOM 1906 CA ILE A 120 5.689 10.195 2.440 1.00 0.00 C ATOM 1907 C ILE A 120 5.923 11.473 3.235 1.00 0.00 C ATOM 1908 O ILE A 120 5.360 12.517 2.916 1.00 0.00 O ATOM 1909 CB ILE A 120 4.174 9.937 2.320 1.00 0.00 C ATOM 1910 CG1 ILE A 120 3.555 9.675 3.689 1.00 0.00 C ATOM 1911 CG2 ILE A 120 3.913 8.768 1.383 1.00 0.00 C ATOM 1912 CD1 ILE A 120 2.044 9.699 3.667 1.00 0.00 C ATOM 0 H ILE A 120 5.887 8.548 3.727 1.00 0.00 H new ATOM 0 HA ILE A 120 6.092 10.318 1.435 1.00 0.00 H new ATOM 0 HB ILE A 120 3.706 10.830 1.905 1.00 0.00 H new ATOM 0 HG12 ILE A 120 3.892 8.705 4.055 1.00 0.00 H new ATOM 0 HG13 ILE A 120 3.915 10.424 4.394 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.839 8.596 1.307 1.00 0.00 H new ATOM 0 HG22 ILE A 120 4.315 8.996 0.396 1.00 0.00 H new ATOM 0 HG23 ILE A 120 4.397 7.873 1.774 1.00 0.00 H new ATOM 0 HD11 ILE A 120 1.662 9.506 4.670 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.701 10.677 3.330 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.678 8.931 2.986 1.00 0.00 H new ATOM 1924 N LYS A 121 6.743 11.392 4.275 1.00 0.00 N ATOM 1925 CA LYS A 121 7.169 12.583 4.989 1.00 0.00 C ATOM 1926 C LYS A 121 8.020 13.429 4.057 1.00 0.00 C ATOM 1927 O LYS A 121 9.012 12.943 3.507 1.00 0.00 O ATOM 1928 CB LYS A 121 7.959 12.208 6.247 1.00 0.00 C ATOM 1929 CG LYS A 121 8.449 13.412 7.040 1.00 0.00 C ATOM 1930 CD LYS A 121 9.213 13.013 8.301 1.00 0.00 C ATOM 1931 CE LYS A 121 10.665 12.633 8.017 1.00 0.00 C ATOM 1932 NZ LYS A 121 10.807 11.285 7.405 1.00 0.00 N ATOM 0 H LYS A 121 7.123 10.518 4.639 1.00 0.00 H new ATOM 0 HA LYS A 121 6.294 13.151 5.306 1.00 0.00 H new ATOM 0 HB2 LYS A 121 7.331 11.591 6.890 1.00 0.00 H new ATOM 0 HB3 LYS A 121 8.816 11.599 5.960 1.00 0.00 H new ATOM 0 HG2 LYS A 121 9.094 14.022 6.407 1.00 0.00 H new ATOM 0 HG3 LYS A 121 7.596 14.032 7.317 1.00 0.00 H new ATOM 0 HD2 LYS A 121 9.191 13.840 9.011 1.00 0.00 H new ATOM 0 HD3 LYS A 121 8.708 12.172 8.776 1.00 0.00 H new ATOM 0 HE2 LYS A 121 11.105 13.376 7.351 1.00 0.00 H new ATOM 0 HE3 LYS A 121 11.231 12.664 8.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 11.695 10.849 7.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 10.005 10.688 7.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 10.821 11.374 6.369 1.00 0.00 H new