USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 517 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 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 63:sc= 1.03 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 18 LYS NZ :NH3+ -170:sc= -0.0111 (180deg=-0.138) USER MOD Single : A 19 SER OG : rot -156:sc= -0.148 USER MOD Single : A 24 THR OG1 : rot -169:sc= -1.4 USER MOD Single : A 25 MET CE :methyl -112:sc= -3.01 (180deg=-8.57!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00507 USER MOD Single : A 35 ASN : amide:sc= -0.144 K(o=-0.14,f=-0.87) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.0671 K(o=0.067,f=-1.7!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 178:sc= 0.265 (180deg=0.228) USER MOD Single : A 47 LYS NZ :NH3+ 133:sc= -0.4 (180deg=-1.66!) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0154 USER MOD Single : A 51 ASN : amide:sc= -0.0865 X(o=-0.087,f=-0.05) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0235 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -122:sc= -0.472 (180deg=-2.2!) USER MOD Single : A 68 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0373) USER MOD ----------------------------------------------------------------- ATOM 88 N GLU A 7 11.236 -7.931 -6.732 1.00 0.00 N ATOM 89 CA GLU A 7 12.299 -7.838 -7.727 1.00 0.00 C ATOM 90 C GLU A 7 12.624 -6.380 -8.041 1.00 0.00 C ATOM 91 O GLU A 7 11.756 -5.617 -8.468 1.00 0.00 O ATOM 92 CB GLU A 7 11.893 -8.569 -9.009 1.00 0.00 C ATOM 93 CG GLU A 7 12.957 -9.520 -9.529 1.00 0.00 C ATOM 94 CD GLU A 7 12.373 -10.819 -10.051 1.00 0.00 C ATOM 95 OE1 GLU A 7 11.390 -10.761 -10.819 1.00 0.00 O ATOM 96 OE2 GLU A 7 12.898 -11.893 -9.691 1.00 0.00 O ATOM 0 HA GLU A 7 13.191 -8.310 -7.315 1.00 0.00 H new ATOM 0 HB2 GLU A 7 10.976 -9.129 -8.823 1.00 0.00 H new ATOM 0 HB3 GLU A 7 11.666 -7.833 -9.781 1.00 0.00 H new ATOM 0 HG2 GLU A 7 13.517 -9.032 -10.326 1.00 0.00 H new ATOM 0 HG3 GLU A 7 13.665 -9.739 -8.730 1.00 0.00 H new ATOM 103 N LEU A 8 13.878 -6.000 -7.825 1.00 0.00 N ATOM 104 CA LEU A 8 14.319 -4.634 -8.083 1.00 0.00 C ATOM 105 C LEU A 8 15.693 -4.622 -8.745 1.00 0.00 C ATOM 106 O LEU A 8 16.485 -5.549 -8.574 1.00 0.00 O ATOM 107 CB LEU A 8 14.361 -3.835 -6.780 1.00 0.00 C ATOM 108 CG LEU A 8 13.048 -3.180 -6.351 1.00 0.00 C ATOM 109 CD1 LEU A 8 12.930 -3.161 -4.835 1.00 0.00 C ATOM 110 CD2 LEU A 8 12.947 -1.770 -6.914 1.00 0.00 C ATOM 0 H LEU A 8 14.608 -6.619 -7.472 1.00 0.00 H new ATOM 0 HA LEU A 8 13.604 -4.170 -8.763 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.691 -4.499 -5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.117 -3.056 -6.879 1.00 0.00 H new ATOM 0 HG LEU A 8 12.223 -3.769 -6.751 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.989 -2.691 -4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.956 -4.182 -4.455 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.761 -2.596 -4.412 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.006 -1.319 -6.599 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.779 -1.170 -6.545 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.984 -1.809 -8.003 1.00 0.00 H new ATOM 122 N VAL A 9 15.971 -3.564 -9.501 1.00 0.00 N ATOM 123 CA VAL A 9 17.251 -3.428 -10.186 1.00 0.00 C ATOM 124 C VAL A 9 17.897 -2.081 -9.882 1.00 0.00 C ATOM 125 O VAL A 9 17.207 -1.080 -9.686 1.00 0.00 O ATOM 126 CB VAL A 9 17.090 -3.577 -11.710 1.00 0.00 C ATOM 127 CG1 VAL A 9 16.404 -4.891 -12.050 1.00 0.00 C ATOM 128 CG2 VAL A 9 16.316 -2.398 -12.281 1.00 0.00 C ATOM 0 H VAL A 9 15.326 -2.788 -9.654 1.00 0.00 H new ATOM 0 HA VAL A 9 17.894 -4.227 -9.817 1.00 0.00 H new ATOM 0 HB VAL A 9 18.081 -3.586 -12.163 1.00 0.00 H new ATOM 0 HG11 VAL A 9 16.299 -4.978 -13.132 1.00 0.00 H new ATOM 0 HG12 VAL A 9 17.003 -5.721 -11.676 1.00 0.00 H new ATOM 0 HG13 VAL A 9 15.418 -4.917 -11.587 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.211 -2.519 -13.359 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.328 -2.355 -11.823 1.00 0.00 H new ATOM 0 HG23 VAL A 9 16.854 -1.474 -12.070 1.00 0.00 H new ATOM 138 N LEU A 10 19.225 -2.063 -9.846 1.00 0.00 N ATOM 139 CA LEU A 10 19.966 -0.838 -9.567 1.00 0.00 C ATOM 140 C LEU A 10 20.515 -0.229 -10.853 1.00 0.00 C ATOM 141 O LEU A 10 20.959 -0.944 -11.750 1.00 0.00 O ATOM 142 CB LEU A 10 21.112 -1.121 -8.594 1.00 0.00 C ATOM 143 CG LEU A 10 22.190 -0.042 -8.494 1.00 0.00 C ATOM 144 CD1 LEU A 10 21.598 1.258 -7.972 1.00 0.00 C ATOM 145 CD2 LEU A 10 23.330 -0.508 -7.600 1.00 0.00 C ATOM 0 H LEU A 10 19.810 -2.883 -10.006 1.00 0.00 H new ATOM 0 HA LEU A 10 19.280 -0.124 -9.112 1.00 0.00 H new ATOM 0 HB2 LEU A 10 20.689 -1.277 -7.602 1.00 0.00 H new ATOM 0 HB3 LEU A 10 21.589 -2.056 -8.888 1.00 0.00 H new ATOM 0 HG LEU A 10 22.588 0.140 -9.492 1.00 0.00 H new ATOM 0 HD11 LEU A 10 22.380 2.014 -7.908 1.00 0.00 H new ATOM 0 HD12 LEU A 10 20.817 1.601 -8.651 1.00 0.00 H new ATOM 0 HD13 LEU A 10 21.171 1.092 -6.983 1.00 0.00 H new ATOM 0 HD21 LEU A 10 24.088 0.273 -7.540 1.00 0.00 H new ATOM 0 HD22 LEU A 10 22.947 -0.719 -6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 10 23.773 -1.413 -8.017 1.00 0.00 H new ATOM 157 N ALA A 11 20.482 1.098 -10.935 1.00 0.00 N ATOM 158 CA ALA A 11 20.980 1.803 -12.109 1.00 0.00 C ATOM 159 C ALA A 11 22.436 2.215 -11.925 1.00 0.00 C ATOM 160 O ALA A 11 22.740 3.143 -11.174 1.00 0.00 O ATOM 161 CB ALA A 11 20.116 3.023 -12.398 1.00 0.00 C ATOM 0 H ALA A 11 20.116 1.705 -10.202 1.00 0.00 H new ATOM 0 HA ALA A 11 20.927 1.124 -12.960 1.00 0.00 H new ATOM 0 HB1 ALA A 11 20.499 3.540 -13.278 1.00 0.00 H new ATOM 0 HB2 ALA A 11 19.089 2.706 -12.582 1.00 0.00 H new ATOM 0 HB3 ALA A 11 20.140 3.697 -11.542 1.00 0.00 H new ATOM 167 N LEU A 12 23.334 1.521 -12.615 1.00 0.00 N ATOM 168 CA LEU A 12 24.760 1.814 -12.527 1.00 0.00 C ATOM 169 C LEU A 12 25.081 3.157 -13.175 1.00 0.00 C ATOM 170 O LEU A 12 25.710 4.019 -12.562 1.00 0.00 O ATOM 171 CB LEU A 12 25.572 0.704 -13.198 1.00 0.00 C ATOM 172 CG LEU A 12 25.193 -0.728 -12.818 1.00 0.00 C ATOM 173 CD1 LEU A 12 25.849 -1.722 -13.763 1.00 0.00 C ATOM 174 CD2 LEU A 12 25.588 -1.019 -11.377 1.00 0.00 C ATOM 0 H LEU A 12 23.100 0.751 -13.242 1.00 0.00 H new ATOM 0 HA LEU A 12 25.030 1.866 -11.472 1.00 0.00 H new ATOM 0 HB2 LEU A 12 25.472 0.811 -14.278 1.00 0.00 H new ATOM 0 HB3 LEU A 12 26.625 0.856 -12.959 1.00 0.00 H new ATOM 0 HG LEU A 12 24.112 -0.833 -12.906 1.00 0.00 H new ATOM 0 HD11 LEU A 12 25.568 -2.736 -13.477 1.00 0.00 H new ATOM 0 HD12 LEU A 12 25.518 -1.527 -14.783 1.00 0.00 H new ATOM 0 HD13 LEU A 12 26.932 -1.617 -13.707 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.311 -2.042 -11.123 1.00 0.00 H new ATOM 0 HD22 LEU A 12 26.665 -0.896 -11.263 1.00 0.00 H new ATOM 0 HD23 LEU A 12 25.071 -0.328 -10.711 1.00 0.00 H new ATOM 186 N TYR A 13 24.642 3.328 -14.417 1.00 0.00 N ATOM 187 CA TYR A 13 24.883 4.566 -15.149 1.00 0.00 C ATOM 188 C TYR A 13 23.594 5.368 -15.302 1.00 0.00 C ATOM 189 O TYR A 13 22.565 5.028 -14.716 1.00 0.00 O ATOM 190 CB TYR A 13 25.473 4.262 -16.527 1.00 0.00 C ATOM 191 CG TYR A 13 26.748 3.450 -16.474 1.00 0.00 C ATOM 192 CD1 TYR A 13 26.711 2.074 -16.286 1.00 0.00 C ATOM 193 CD2 TYR A 13 27.989 4.059 -16.613 1.00 0.00 C ATOM 194 CE1 TYR A 13 27.873 1.329 -16.236 1.00 0.00 C ATOM 195 CE2 TYR A 13 29.156 3.322 -16.566 1.00 0.00 C ATOM 196 CZ TYR A 13 29.093 1.957 -16.377 1.00 0.00 C ATOM 197 OH TYR A 13 30.252 1.218 -16.329 1.00 0.00 O ATOM 0 H TYR A 13 24.118 2.625 -14.938 1.00 0.00 H new ATOM 0 HA TYR A 13 25.596 5.162 -14.579 1.00 0.00 H new ATOM 0 HB2 TYR A 13 24.733 3.723 -17.119 1.00 0.00 H new ATOM 0 HB3 TYR A 13 25.671 5.201 -17.043 1.00 0.00 H new ATOM 0 HD1 TYR A 13 25.758 1.578 -16.177 1.00 0.00 H new ATOM 0 HD2 TYR A 13 28.042 5.128 -16.760 1.00 0.00 H new ATOM 0 HE1 TYR A 13 27.827 0.260 -16.087 1.00 0.00 H new ATOM 0 HE2 TYR A 13 30.112 3.811 -16.677 1.00 0.00 H new ATOM 0 HH TYR A 13 31.023 1.811 -16.446 1.00 0.00 H new ATOM 207 N ASP A 14 23.657 6.433 -16.093 1.00 0.00 N ATOM 208 CA ASP A 14 22.496 7.283 -16.325 1.00 0.00 C ATOM 209 C ASP A 14 21.865 6.984 -17.682 1.00 0.00 C ATOM 210 O ASP A 14 22.503 6.400 -18.558 1.00 0.00 O ATOM 211 CB ASP A 14 22.894 8.758 -16.248 1.00 0.00 C ATOM 212 CG ASP A 14 24.123 9.070 -17.079 1.00 0.00 C ATOM 213 OD1 ASP A 14 24.288 8.450 -18.150 1.00 0.00 O ATOM 214 OD2 ASP A 14 24.920 9.935 -16.658 1.00 0.00 O ATOM 0 H ASP A 14 24.501 6.728 -16.585 1.00 0.00 H new ATOM 0 HA ASP A 14 21.761 7.071 -15.548 1.00 0.00 H new ATOM 0 HB2 ASP A 14 22.062 9.374 -16.589 1.00 0.00 H new ATOM 0 HB3 ASP A 14 23.084 9.026 -15.209 1.00 0.00 H new ATOM 219 N TYR A 15 20.610 7.386 -17.847 1.00 0.00 N ATOM 220 CA TYR A 15 19.893 7.158 -19.095 1.00 0.00 C ATOM 221 C TYR A 15 19.016 8.356 -19.446 1.00 0.00 C ATOM 222 O TYR A 15 18.890 9.297 -18.663 1.00 0.00 O ATOM 223 CB TYR A 15 19.034 5.897 -18.991 1.00 0.00 C ATOM 224 CG TYR A 15 18.794 5.215 -20.319 1.00 0.00 C ATOM 225 CD1 TYR A 15 19.857 4.839 -21.131 1.00 0.00 C ATOM 226 CD2 TYR A 15 17.505 4.947 -20.762 1.00 0.00 C ATOM 227 CE1 TYR A 15 19.643 4.217 -22.346 1.00 0.00 C ATOM 228 CE2 TYR A 15 17.281 4.324 -21.974 1.00 0.00 C ATOM 229 CZ TYR A 15 18.353 3.961 -22.763 1.00 0.00 C ATOM 230 OH TYR A 15 18.135 3.341 -23.972 1.00 0.00 O ATOM 0 H TYR A 15 20.068 7.871 -17.132 1.00 0.00 H new ATOM 0 HA TYR A 15 20.629 7.024 -19.888 1.00 0.00 H new ATOM 0 HB2 TYR A 15 19.517 5.193 -18.313 1.00 0.00 H new ATOM 0 HB3 TYR A 15 18.073 6.158 -18.547 1.00 0.00 H new ATOM 0 HD1 TYR A 15 20.868 5.036 -20.807 1.00 0.00 H new ATOM 0 HD2 TYR A 15 16.663 5.231 -20.148 1.00 0.00 H new ATOM 0 HE1 TYR A 15 20.481 3.933 -22.966 1.00 0.00 H new ATOM 0 HE2 TYR A 15 16.272 4.122 -22.302 1.00 0.00 H new ATOM 0 HH TYR A 15 18.528 2.443 -23.955 1.00 0.00 H new ATOM 240 N GLN A 16 18.411 8.312 -20.629 1.00 0.00 N ATOM 241 CA GLN A 16 17.546 9.394 -21.085 1.00 0.00 C ATOM 242 C GLN A 16 16.501 8.877 -22.068 1.00 0.00 C ATOM 243 O GLN A 16 16.768 8.752 -23.263 1.00 0.00 O ATOM 244 CB GLN A 16 18.377 10.499 -21.739 1.00 0.00 C ATOM 245 CG GLN A 16 18.220 11.855 -21.070 1.00 0.00 C ATOM 246 CD GLN A 16 19.423 12.233 -20.229 1.00 0.00 C ATOM 247 OE1 GLN A 16 20.546 12.309 -20.730 1.00 0.00 O ATOM 248 NE2 GLN A 16 19.195 12.474 -18.944 1.00 0.00 N ATOM 0 H GLN A 16 18.504 7.539 -21.288 1.00 0.00 H new ATOM 0 HA GLN A 16 17.030 9.804 -20.217 1.00 0.00 H new ATOM 0 HB2 GLN A 16 19.428 10.212 -21.718 1.00 0.00 H new ATOM 0 HB3 GLN A 16 18.091 10.585 -22.787 1.00 0.00 H new ATOM 0 HG2 GLN A 16 18.061 12.617 -21.834 1.00 0.00 H new ATOM 0 HG3 GLN A 16 17.330 11.845 -20.441 1.00 0.00 H new ATOM 0 HE21 GLN A 16 18.249 12.399 -18.571 1.00 0.00 H new ATOM 0 HE22 GLN A 16 19.966 12.734 -18.329 1.00 0.00 H new ATOM 257 N GLU A 17 15.310 8.579 -21.557 1.00 0.00 N ATOM 258 CA GLU A 17 14.226 8.075 -22.392 1.00 0.00 C ATOM 259 C GLU A 17 14.007 8.977 -23.603 1.00 0.00 C ATOM 260 O GLU A 17 14.221 10.188 -23.537 1.00 0.00 O ATOM 261 CB GLU A 17 12.934 7.971 -21.579 1.00 0.00 C ATOM 262 CG GLU A 17 12.484 9.292 -20.979 1.00 0.00 C ATOM 263 CD GLU A 17 11.625 10.102 -21.929 1.00 0.00 C ATOM 264 OE1 GLU A 17 10.737 9.509 -22.578 1.00 0.00 O ATOM 265 OE2 GLU A 17 11.840 11.329 -22.026 1.00 0.00 O ATOM 0 H GLU A 17 15.072 8.678 -20.570 1.00 0.00 H new ATOM 0 HA GLU A 17 14.505 7.083 -22.746 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.142 7.584 -22.220 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.077 7.247 -20.777 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.924 9.099 -20.064 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.360 9.877 -20.699 1.00 0.00 H new ATOM 272 N LYS A 18 13.579 8.379 -24.709 1.00 0.00 N ATOM 273 CA LYS A 18 13.329 9.126 -25.936 1.00 0.00 C ATOM 274 C LYS A 18 12.001 8.714 -26.563 1.00 0.00 C ATOM 275 O LYS A 18 11.669 9.138 -27.670 1.00 0.00 O ATOM 276 CB LYS A 18 14.468 8.902 -26.934 1.00 0.00 C ATOM 277 CG LYS A 18 14.266 7.687 -27.824 1.00 0.00 C ATOM 278 CD LYS A 18 14.081 6.421 -27.005 1.00 0.00 C ATOM 279 CE LYS A 18 15.287 6.148 -26.119 1.00 0.00 C ATOM 280 NZ LYS A 18 16.522 5.921 -26.919 1.00 0.00 N ATOM 0 H LYS A 18 13.398 7.378 -24.781 1.00 0.00 H new ATOM 0 HA LYS A 18 13.278 10.185 -25.683 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.571 9.788 -27.561 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.403 8.789 -26.386 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.394 7.841 -28.459 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.125 7.572 -28.485 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.188 6.514 -26.387 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.920 5.575 -27.673 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.441 6.991 -25.445 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.091 5.274 -25.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.280 5.574 -26.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.331 5.216 -27.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.819 6.815 -27.360 1.00 0.00 H new ATOM 294 N SER A 19 11.245 7.888 -25.847 1.00 0.00 N ATOM 295 CA SER A 19 9.953 7.418 -26.334 1.00 0.00 C ATOM 296 C SER A 19 8.920 7.408 -25.212 1.00 0.00 C ATOM 297 O SER A 19 9.253 7.407 -24.027 1.00 0.00 O ATOM 298 CB SER A 19 10.089 6.016 -26.931 1.00 0.00 C ATOM 299 OG SER A 19 9.580 5.034 -26.045 1.00 0.00 O ATOM 0 H SER A 19 11.505 7.530 -24.928 1.00 0.00 H new ATOM 0 HA SER A 19 9.613 8.104 -27.110 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.554 5.967 -27.879 1.00 0.00 H new ATOM 0 HB3 SER A 19 11.137 5.809 -27.146 1.00 0.00 H new ATOM 0 HG SER A 19 9.998 4.169 -26.240 1.00 0.00 H new ATOM 305 N PRO A 20 7.634 7.401 -25.593 1.00 0.00 N ATOM 306 CA PRO A 20 6.525 7.390 -24.635 1.00 0.00 C ATOM 307 C PRO A 20 6.414 6.063 -23.891 1.00 0.00 C ATOM 308 O PRO A 20 5.874 6.003 -22.786 1.00 0.00 O ATOM 309 CB PRO A 20 5.293 7.614 -25.515 1.00 0.00 C ATOM 310 CG PRO A 20 5.693 7.114 -26.861 1.00 0.00 C ATOM 311 CD PRO A 20 7.164 7.402 -26.988 1.00 0.00 C ATOM 0 HA PRO A 20 6.652 8.142 -23.857 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.429 7.071 -25.132 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.018 8.668 -25.550 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.495 6.046 -26.956 1.00 0.00 H new ATOM 0 HG3 PRO A 20 5.128 7.614 -27.647 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.672 6.643 -27.584 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.345 8.362 -27.472 1.00 0.00 H new ATOM 319 N ARG A 21 6.928 5.002 -24.504 1.00 0.00 N ATOM 320 CA ARG A 21 6.886 3.676 -23.900 1.00 0.00 C ATOM 321 C ARG A 21 8.255 3.284 -23.351 1.00 0.00 C ATOM 322 O ARG A 21 8.608 2.106 -23.319 1.00 0.00 O ATOM 323 CB ARG A 21 6.421 2.640 -24.925 1.00 0.00 C ATOM 324 CG ARG A 21 7.337 2.524 -26.133 1.00 0.00 C ATOM 325 CD ARG A 21 6.839 3.371 -27.293 1.00 0.00 C ATOM 326 NE ARG A 21 7.112 2.746 -28.584 1.00 0.00 N ATOM 327 CZ ARG A 21 6.869 3.333 -29.751 1.00 0.00 C ATOM 328 NH1 ARG A 21 6.351 4.553 -29.788 1.00 0.00 N ATOM 329 NH2 ARG A 21 7.145 2.700 -30.884 1.00 0.00 N ATOM 0 H ARG A 21 7.378 5.035 -25.419 1.00 0.00 H new ATOM 0 HA ARG A 21 6.176 3.704 -23.073 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.350 1.667 -24.439 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.418 2.901 -25.264 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.344 2.837 -25.859 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.401 1.481 -26.444 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.766 3.534 -27.189 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.315 4.351 -27.257 1.00 0.00 H new ATOM 0 HE ARG A 21 7.511 1.807 -28.590 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.138 5.043 -28.919 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.165 5.001 -30.685 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.544 1.762 -30.860 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.958 3.152 -31.779 1.00 0.00 H new ATOM 343 N GLU A 22 9.021 4.282 -22.920 1.00 0.00 N ATOM 344 CA GLU A 22 10.352 4.041 -22.373 1.00 0.00 C ATOM 345 C GLU A 22 10.548 4.801 -21.064 1.00 0.00 C ATOM 346 O GLU A 22 9.819 5.747 -20.768 1.00 0.00 O ATOM 347 CB GLU A 22 11.424 4.456 -23.382 1.00 0.00 C ATOM 348 CG GLU A 22 12.797 3.877 -23.084 1.00 0.00 C ATOM 349 CD GLU A 22 13.607 3.619 -24.340 1.00 0.00 C ATOM 350 OE1 GLU A 22 13.156 4.027 -25.431 1.00 0.00 O ATOM 351 OE2 GLU A 22 14.692 3.010 -24.231 1.00 0.00 O ATOM 0 H GLU A 22 8.743 5.263 -22.939 1.00 0.00 H new ATOM 0 HA GLU A 22 10.447 2.974 -22.171 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.115 4.141 -24.378 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.493 5.544 -23.399 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.344 4.564 -22.438 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.682 2.944 -22.533 1.00 0.00 H new ATOM 358 N VAL A 23 11.537 4.378 -20.284 1.00 0.00 N ATOM 359 CA VAL A 23 11.830 5.017 -19.007 1.00 0.00 C ATOM 360 C VAL A 23 13.294 5.436 -18.925 1.00 0.00 C ATOM 361 O VAL A 23 14.061 5.244 -19.870 1.00 0.00 O ATOM 362 CB VAL A 23 11.508 4.083 -17.825 1.00 0.00 C ATOM 363 CG1 VAL A 23 10.005 3.989 -17.613 1.00 0.00 C ATOM 364 CG2 VAL A 23 12.109 2.705 -18.056 1.00 0.00 C ATOM 0 H VAL A 23 12.149 3.595 -20.514 1.00 0.00 H new ATOM 0 HA VAL A 23 11.197 5.902 -18.944 1.00 0.00 H new ATOM 0 HB VAL A 23 11.953 4.502 -16.922 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.797 3.325 -16.774 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.605 4.980 -17.399 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.535 3.594 -18.514 1.00 0.00 H new ATOM 0 HG21 VAL A 23 11.872 2.058 -17.211 1.00 0.00 H new ATOM 0 HG22 VAL A 23 11.695 2.276 -18.969 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.191 2.792 -18.154 1.00 0.00 H new ATOM 374 N THR A 24 13.677 6.009 -17.789 1.00 0.00 N ATOM 375 CA THR A 24 15.049 6.456 -17.583 1.00 0.00 C ATOM 376 C THR A 24 15.502 6.199 -16.150 1.00 0.00 C ATOM 377 O THR A 24 14.693 5.864 -15.284 1.00 0.00 O ATOM 378 CB THR A 24 15.205 7.956 -17.897 1.00 0.00 C ATOM 379 OG1 THR A 24 16.584 8.269 -18.118 1.00 0.00 O ATOM 380 CG2 THR A 24 14.662 8.807 -16.759 1.00 0.00 C ATOM 0 H THR A 24 13.056 6.175 -16.997 1.00 0.00 H new ATOM 0 HA THR A 24 15.674 5.882 -18.267 1.00 0.00 H new ATOM 0 HB THR A 24 14.634 8.177 -18.799 1.00 0.00 H new ATOM 0 HG1 THR A 24 16.698 9.242 -18.148 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.783 9.862 -17.004 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.604 8.588 -16.613 1.00 0.00 H new ATOM 0 HG23 THR A 24 15.209 8.582 -15.843 1.00 0.00 H new ATOM 388 N MET A 25 16.798 6.361 -15.906 1.00 0.00 N ATOM 389 CA MET A 25 17.357 6.148 -14.576 1.00 0.00 C ATOM 390 C MET A 25 18.703 6.851 -14.433 1.00 0.00 C ATOM 391 O MET A 25 19.324 7.233 -15.425 1.00 0.00 O ATOM 392 CB MET A 25 17.519 4.652 -14.300 1.00 0.00 C ATOM 393 CG MET A 25 18.041 3.867 -15.492 1.00 0.00 C ATOM 394 SD MET A 25 19.805 4.116 -15.769 1.00 0.00 S ATOM 395 CE MET A 25 20.112 2.934 -17.080 1.00 0.00 C ATOM 0 H MET A 25 17.481 6.639 -16.611 1.00 0.00 H new ATOM 0 HA MET A 25 16.666 6.572 -13.847 1.00 0.00 H new ATOM 0 HB2 MET A 25 18.201 4.518 -13.460 1.00 0.00 H new ATOM 0 HB3 MET A 25 16.556 4.240 -13.998 1.00 0.00 H new ATOM 0 HG2 MET A 25 17.848 2.806 -15.336 1.00 0.00 H new ATOM 0 HG3 MET A 25 17.492 4.163 -16.386 1.00 0.00 H new ATOM 0 HE1 MET A 25 20.741 2.128 -16.703 1.00 0.00 H new ATOM 0 HE2 MET A 25 19.165 2.522 -17.428 1.00 0.00 H new ATOM 0 HE3 MET A 25 20.617 3.432 -17.908 1.00 0.00 H new ATOM 405 N LYS A 26 19.148 7.021 -13.192 1.00 0.00 N ATOM 406 CA LYS A 26 20.421 7.677 -12.919 1.00 0.00 C ATOM 407 C LYS A 26 21.294 6.816 -12.012 1.00 0.00 C ATOM 408 O LYS A 26 20.797 5.944 -11.300 1.00 0.00 O ATOM 409 CB LYS A 26 20.185 9.043 -12.270 1.00 0.00 C ATOM 410 CG LYS A 26 21.390 9.965 -12.337 1.00 0.00 C ATOM 411 CD LYS A 26 21.033 11.381 -11.918 1.00 0.00 C ATOM 412 CE LYS A 26 22.276 12.239 -11.738 1.00 0.00 C ATOM 413 NZ LYS A 26 22.846 12.108 -10.368 1.00 0.00 N ATOM 0 H LYS A 26 18.645 6.713 -12.360 1.00 0.00 H new ATOM 0 HA LYS A 26 20.940 7.816 -13.867 1.00 0.00 H new ATOM 0 HB2 LYS A 26 19.340 9.527 -12.760 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.908 8.897 -11.226 1.00 0.00 H new ATOM 0 HG2 LYS A 26 22.179 9.581 -11.690 1.00 0.00 H new ATOM 0 HG3 LYS A 26 21.786 9.974 -13.352 1.00 0.00 H new ATOM 0 HD2 LYS A 26 20.384 11.831 -12.669 1.00 0.00 H new ATOM 0 HD3 LYS A 26 20.470 11.355 -10.985 1.00 0.00 H new ATOM 0 HE2 LYS A 26 23.027 11.949 -12.473 1.00 0.00 H new ATOM 0 HE3 LYS A 26 22.028 13.283 -11.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 23.692 12.708 -10.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 22.138 12.408 -9.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 23.107 11.116 -10.194 1.00 0.00 H new ATOM 427 N LYS A 27 22.599 7.066 -12.043 1.00 0.00 N ATOM 428 CA LYS A 27 23.542 6.316 -11.222 1.00 0.00 C ATOM 429 C LYS A 27 23.105 6.308 -9.760 1.00 0.00 C ATOM 430 O LYS A 27 23.214 7.317 -9.065 1.00 0.00 O ATOM 431 CB LYS A 27 24.945 6.916 -11.343 1.00 0.00 C ATOM 432 CG LYS A 27 25.396 7.122 -12.778 1.00 0.00 C ATOM 433 CD LYS A 27 25.353 8.589 -13.171 1.00 0.00 C ATOM 434 CE LYS A 27 26.709 9.254 -12.991 1.00 0.00 C ATOM 435 NZ LYS A 27 26.870 9.825 -11.625 1.00 0.00 N ATOM 0 H LYS A 27 23.028 7.783 -12.628 1.00 0.00 H new ATOM 0 HA LYS A 27 23.561 5.288 -11.583 1.00 0.00 H new ATOM 0 HB2 LYS A 27 24.968 7.874 -10.823 1.00 0.00 H new ATOM 0 HB3 LYS A 27 25.656 6.262 -10.838 1.00 0.00 H new ATOM 0 HG2 LYS A 27 26.410 6.741 -12.900 1.00 0.00 H new ATOM 0 HG3 LYS A 27 24.757 6.546 -13.447 1.00 0.00 H new ATOM 0 HD2 LYS A 27 25.037 8.679 -14.210 1.00 0.00 H new ATOM 0 HD3 LYS A 27 24.609 9.107 -12.566 1.00 0.00 H new ATOM 0 HE2 LYS A 27 27.498 8.525 -13.175 1.00 0.00 H new ATOM 0 HE3 LYS A 27 26.827 10.045 -13.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 27.807 10.269 -11.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 26.132 10.539 -11.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 26.783 9.066 -10.919 1.00 0.00 H new ATOM 449 N GLY A 28 22.611 5.162 -9.301 1.00 0.00 N ATOM 450 CA GLY A 28 22.167 5.045 -7.924 1.00 0.00 C ATOM 451 C GLY A 28 20.659 4.954 -7.807 1.00 0.00 C ATOM 452 O GLY A 28 20.106 5.067 -6.713 1.00 0.00 O ATOM 0 H GLY A 28 22.510 4.313 -9.858 1.00 0.00 H new ATOM 0 HA2 GLY A 28 22.617 4.160 -7.474 1.00 0.00 H new ATOM 0 HA3 GLY A 28 22.521 5.906 -7.357 1.00 0.00 H new ATOM 456 N ASP A 29 19.991 4.751 -8.938 1.00 0.00 N ATOM 457 CA ASP A 29 18.536 4.645 -8.958 1.00 0.00 C ATOM 458 C ASP A 29 18.095 3.193 -8.801 1.00 0.00 C ATOM 459 O ASP A 29 18.864 2.268 -9.063 1.00 0.00 O ATOM 460 CB ASP A 29 17.980 5.222 -10.260 1.00 0.00 C ATOM 461 CG ASP A 29 17.708 6.711 -10.164 1.00 0.00 C ATOM 462 OD1 ASP A 29 18.529 7.425 -9.551 1.00 0.00 O ATOM 463 OD2 ASP A 29 16.674 7.161 -10.701 1.00 0.00 O ATOM 0 H ASP A 29 20.433 4.657 -9.852 1.00 0.00 H new ATOM 0 HA ASP A 29 18.142 5.218 -8.118 1.00 0.00 H new ATOM 0 HB2 ASP A 29 18.688 5.036 -11.068 1.00 0.00 H new ATOM 0 HB3 ASP A 29 17.057 4.703 -10.519 1.00 0.00 H new ATOM 468 N ILE A 30 16.852 3.001 -8.371 1.00 0.00 N ATOM 469 CA ILE A 30 16.309 1.663 -8.179 1.00 0.00 C ATOM 470 C ILE A 30 14.900 1.553 -8.753 1.00 0.00 C ATOM 471 O ILE A 30 14.042 2.396 -8.486 1.00 0.00 O ATOM 472 CB ILE A 30 16.275 1.277 -6.688 1.00 0.00 C ATOM 473 CG1 ILE A 30 17.641 1.525 -6.044 1.00 0.00 C ATOM 474 CG2 ILE A 30 15.864 -0.179 -6.527 1.00 0.00 C ATOM 475 CD1 ILE A 30 17.675 1.217 -4.563 1.00 0.00 C ATOM 0 H ILE A 30 16.203 3.756 -8.149 1.00 0.00 H new ATOM 0 HA ILE A 30 16.969 0.976 -8.709 1.00 0.00 H new ATOM 0 HB ILE A 30 15.537 1.900 -6.183 1.00 0.00 H new ATOM 0 HG12 ILE A 30 18.389 0.915 -6.551 1.00 0.00 H new ATOM 0 HG13 ILE A 30 17.922 2.567 -6.197 1.00 0.00 H new ATOM 0 HG21 ILE A 30 15.845 -0.437 -5.468 1.00 0.00 H new ATOM 0 HG22 ILE A 30 14.872 -0.327 -6.955 1.00 0.00 H new ATOM 0 HG23 ILE A 30 16.580 -0.818 -7.043 1.00 0.00 H new ATOM 0 HD11 ILE A 30 18.673 1.415 -4.173 1.00 0.00 H new ATOM 0 HD12 ILE A 30 16.951 1.845 -4.044 1.00 0.00 H new ATOM 0 HD13 ILE A 30 17.425 0.168 -4.404 1.00 0.00 H new ATOM 487 N LEU A 31 14.668 0.510 -9.541 1.00 0.00 N ATOM 488 CA LEU A 31 13.362 0.288 -10.152 1.00 0.00 C ATOM 489 C LEU A 31 12.912 -1.158 -9.965 1.00 0.00 C ATOM 490 O LEU A 31 13.728 -2.080 -9.975 1.00 0.00 O ATOM 491 CB LEU A 31 13.409 0.631 -11.642 1.00 0.00 C ATOM 492 CG LEU A 31 13.846 2.055 -11.989 1.00 0.00 C ATOM 493 CD1 LEU A 31 15.323 2.087 -12.347 1.00 0.00 C ATOM 494 CD2 LEU A 31 13.005 2.606 -13.132 1.00 0.00 C ATOM 0 H LEU A 31 15.367 -0.196 -9.772 1.00 0.00 H new ATOM 0 HA LEU A 31 12.642 0.940 -9.658 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.088 -0.066 -12.134 1.00 0.00 H new ATOM 0 HB3 LEU A 31 12.418 0.463 -12.065 1.00 0.00 H new ATOM 0 HG LEU A 31 13.692 2.686 -11.114 1.00 0.00 H new ATOM 0 HD11 LEU A 31 15.616 3.108 -12.591 1.00 0.00 H new ATOM 0 HD12 LEU A 31 15.910 1.733 -11.500 1.00 0.00 H new ATOM 0 HD13 LEU A 31 15.503 1.442 -13.207 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.329 3.620 -13.366 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.127 1.974 -14.011 1.00 0.00 H new ATOM 0 HD23 LEU A 31 11.955 2.619 -12.838 1.00 0.00 H new ATOM 506 N THR A 32 11.607 -1.349 -9.797 1.00 0.00 N ATOM 507 CA THR A 32 11.047 -2.681 -9.609 1.00 0.00 C ATOM 508 C THR A 32 10.988 -3.443 -10.928 1.00 0.00 C ATOM 509 O THR A 32 10.283 -3.045 -11.856 1.00 0.00 O ATOM 510 CB THR A 32 9.633 -2.617 -9.003 1.00 0.00 C ATOM 511 OG1 THR A 32 9.503 -1.448 -8.185 1.00 0.00 O ATOM 512 CG2 THR A 32 9.343 -3.858 -8.173 1.00 0.00 C ATOM 0 H THR A 32 10.918 -0.597 -9.787 1.00 0.00 H new ATOM 0 HA THR A 32 11.706 -3.206 -8.918 1.00 0.00 H new ATOM 0 HB THR A 32 8.913 -2.570 -9.820 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.600 -1.414 -7.805 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.339 -3.790 -7.755 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.414 -4.743 -8.805 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.069 -3.932 -7.363 1.00 0.00 H new ATOM 520 N LEU A 33 11.732 -4.542 -11.005 1.00 0.00 N ATOM 521 CA LEU A 33 11.763 -5.361 -12.212 1.00 0.00 C ATOM 522 C LEU A 33 10.422 -6.052 -12.436 1.00 0.00 C ATOM 523 O LEU A 33 9.850 -6.634 -11.514 1.00 0.00 O ATOM 524 CB LEU A 33 12.877 -6.405 -12.114 1.00 0.00 C ATOM 525 CG LEU A 33 13.359 -6.998 -13.439 1.00 0.00 C ATOM 526 CD1 LEU A 33 12.282 -7.877 -14.054 1.00 0.00 C ATOM 527 CD2 LEU A 33 13.762 -5.892 -14.403 1.00 0.00 C ATOM 0 H LEU A 33 12.321 -4.886 -10.247 1.00 0.00 H new ATOM 0 HA LEU A 33 11.960 -4.706 -13.061 1.00 0.00 H new ATOM 0 HB2 LEU A 33 13.730 -5.951 -11.610 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.529 -7.220 -11.479 1.00 0.00 H new ATOM 0 HG LEU A 33 14.234 -7.617 -13.241 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.643 -8.290 -14.996 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.042 -8.691 -13.370 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.388 -7.282 -14.238 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.102 -6.332 -15.340 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.905 -5.247 -14.595 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.568 -5.303 -13.965 1.00 0.00 H new ATOM 539 N LEU A 34 9.926 -5.985 -13.667 1.00 0.00 N ATOM 540 CA LEU A 34 8.653 -6.606 -14.013 1.00 0.00 C ATOM 541 C LEU A 34 8.866 -7.826 -14.904 1.00 0.00 C ATOM 542 O LEU A 34 8.345 -8.906 -14.629 1.00 0.00 O ATOM 543 CB LEU A 34 7.746 -5.597 -14.721 1.00 0.00 C ATOM 544 CG LEU A 34 6.789 -4.811 -13.824 1.00 0.00 C ATOM 545 CD1 LEU A 34 5.857 -5.756 -13.081 1.00 0.00 C ATOM 546 CD2 LEU A 34 7.566 -3.945 -12.843 1.00 0.00 C ATOM 0 H LEU A 34 10.386 -5.507 -14.442 1.00 0.00 H new ATOM 0 HA LEU A 34 8.174 -6.932 -13.090 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.375 -4.887 -15.258 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.157 -6.129 -15.468 1.00 0.00 H new ATOM 0 HG LEU A 34 6.185 -4.158 -14.454 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.183 -5.179 -12.448 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.275 -6.333 -13.800 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.444 -6.435 -12.462 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.868 -3.393 -12.213 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.196 -4.578 -12.218 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.191 -3.242 -13.394 1.00 0.00 H new ATOM 558 N ASN A 35 9.638 -7.646 -15.971 1.00 0.00 N ATOM 559 CA ASN A 35 9.922 -8.732 -16.901 1.00 0.00 C ATOM 560 C ASN A 35 11.391 -8.726 -17.312 1.00 0.00 C ATOM 561 O ASN A 35 11.881 -7.756 -17.890 1.00 0.00 O ATOM 562 CB ASN A 35 9.034 -8.616 -18.141 1.00 0.00 C ATOM 563 CG ASN A 35 8.191 -9.856 -18.367 1.00 0.00 C ATOM 564 OD1 ASN A 35 7.765 -10.513 -17.417 1.00 0.00 O ATOM 565 ND2 ASN A 35 7.948 -10.183 -19.631 1.00 0.00 N ATOM 0 H ASN A 35 10.078 -6.758 -16.213 1.00 0.00 H new ATOM 0 HA ASN A 35 9.708 -9.674 -16.396 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.380 -7.750 -18.037 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.659 -8.440 -19.017 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.388 -11.008 -19.846 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.321 -9.609 -20.387 1.00 0.00 H new ATOM 572 N SER A 36 12.089 -9.817 -17.011 1.00 0.00 N ATOM 573 CA SER A 36 13.503 -9.936 -17.346 1.00 0.00 C ATOM 574 C SER A 36 13.739 -11.103 -18.301 1.00 0.00 C ATOM 575 O SER A 36 14.769 -11.774 -18.238 1.00 0.00 O ATOM 576 CB SER A 36 14.336 -10.125 -16.077 1.00 0.00 C ATOM 577 OG SER A 36 13.757 -11.101 -15.227 1.00 0.00 O ATOM 0 H SER A 36 11.698 -10.631 -16.536 1.00 0.00 H new ATOM 0 HA SER A 36 13.812 -9.015 -17.841 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.349 -10.426 -16.345 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.415 -9.177 -15.546 1.00 0.00 H new ATOM 0 HG SER A 36 14.309 -11.204 -14.424 1.00 0.00 H new ATOM 583 N THR A 37 12.775 -11.339 -19.186 1.00 0.00 N ATOM 584 CA THR A 37 12.875 -12.424 -20.153 1.00 0.00 C ATOM 585 C THR A 37 14.054 -12.214 -21.096 1.00 0.00 C ATOM 586 O THR A 37 14.715 -13.169 -21.500 1.00 0.00 O ATOM 587 CB THR A 37 11.585 -12.556 -20.985 1.00 0.00 C ATOM 588 OG1 THR A 37 11.727 -13.608 -21.946 1.00 0.00 O ATOM 589 CG2 THR A 37 11.265 -11.251 -21.698 1.00 0.00 C ATOM 0 H THR A 37 11.916 -10.793 -19.252 1.00 0.00 H new ATOM 0 HA THR A 37 13.027 -13.341 -19.584 1.00 0.00 H new ATOM 0 HB THR A 37 10.765 -12.792 -20.307 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.902 -13.686 -22.470 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.350 -11.369 -22.279 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.128 -10.458 -20.962 1.00 0.00 H new ATOM 0 HG23 THR A 37 12.087 -10.989 -22.364 1.00 0.00 H new ATOM 597 N ASN A 38 14.313 -10.957 -21.441 1.00 0.00 N ATOM 598 CA ASN A 38 15.414 -10.621 -22.336 1.00 0.00 C ATOM 599 C ASN A 38 16.700 -10.380 -21.551 1.00 0.00 C ATOM 600 O ASN A 38 16.694 -10.357 -20.320 1.00 0.00 O ATOM 601 CB ASN A 38 15.067 -9.381 -23.163 1.00 0.00 C ATOM 602 CG ASN A 38 15.641 -9.442 -24.565 1.00 0.00 C ATOM 603 OD1 ASN A 38 16.616 -8.759 -24.879 1.00 0.00 O ATOM 604 ND2 ASN A 38 15.035 -10.261 -25.417 1.00 0.00 N ATOM 0 H ASN A 38 13.775 -10.154 -21.114 1.00 0.00 H new ATOM 0 HA ASN A 38 15.573 -11.464 -23.008 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.983 -9.278 -23.221 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.445 -8.493 -22.657 1.00 0.00 H new ATOM 0 HD21 ASN A 38 15.375 -10.343 -26.375 1.00 0.00 H new ATOM 0 HD22 ASN A 38 14.230 -10.808 -25.113 1.00 0.00 H new ATOM 611 N LYS A 39 17.802 -10.200 -22.272 1.00 0.00 N ATOM 612 CA LYS A 39 19.095 -9.958 -21.645 1.00 0.00 C ATOM 613 C LYS A 39 19.623 -8.573 -22.003 1.00 0.00 C ATOM 614 O LYS A 39 20.409 -7.985 -21.258 1.00 0.00 O ATOM 615 CB LYS A 39 20.102 -11.027 -22.076 1.00 0.00 C ATOM 616 CG LYS A 39 20.294 -11.109 -23.581 1.00 0.00 C ATOM 617 CD LYS A 39 21.119 -12.324 -23.972 1.00 0.00 C ATOM 618 CE LYS A 39 20.265 -13.581 -24.034 1.00 0.00 C ATOM 619 NZ LYS A 39 19.498 -13.668 -25.307 1.00 0.00 N ATOM 0 H LYS A 39 17.825 -10.217 -23.292 1.00 0.00 H new ATOM 0 HA LYS A 39 18.962 -10.008 -20.564 1.00 0.00 H new ATOM 0 HB2 LYS A 39 21.063 -10.819 -21.606 1.00 0.00 H new ATOM 0 HB3 LYS A 39 19.770 -11.997 -21.707 1.00 0.00 H new ATOM 0 HG2 LYS A 39 19.321 -11.155 -24.071 1.00 0.00 H new ATOM 0 HG3 LYS A 39 20.787 -10.204 -23.936 1.00 0.00 H new ATOM 0 HD2 LYS A 39 21.585 -12.152 -24.942 1.00 0.00 H new ATOM 0 HD3 LYS A 39 21.925 -12.465 -23.251 1.00 0.00 H new ATOM 0 HE2 LYS A 39 20.903 -14.459 -23.934 1.00 0.00 H new ATOM 0 HE3 LYS A 39 19.573 -13.592 -23.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 18.929 -14.538 -25.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 18.870 -12.843 -25.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 20.159 -13.683 -26.110 1.00 0.00 H new ATOM 633 N ASP A 40 19.187 -8.056 -23.146 1.00 0.00 N ATOM 634 CA ASP A 40 19.613 -6.738 -23.602 1.00 0.00 C ATOM 635 C ASP A 40 18.866 -5.637 -22.856 1.00 0.00 C ATOM 636 O ASP A 40 19.477 -4.709 -22.325 1.00 0.00 O ATOM 637 CB ASP A 40 19.385 -6.597 -25.108 1.00 0.00 C ATOM 638 CG ASP A 40 20.229 -7.565 -25.914 1.00 0.00 C ATOM 639 OD1 ASP A 40 19.797 -8.724 -26.090 1.00 0.00 O ATOM 640 OD2 ASP A 40 21.320 -7.164 -26.369 1.00 0.00 O ATOM 0 H ASP A 40 18.538 -8.530 -23.774 1.00 0.00 H new ATOM 0 HA ASP A 40 20.678 -6.635 -23.393 1.00 0.00 H new ATOM 0 HB2 ASP A 40 18.331 -6.766 -25.330 1.00 0.00 H new ATOM 0 HB3 ASP A 40 19.616 -5.577 -25.414 1.00 0.00 H new ATOM 645 N TRP A 41 17.543 -5.745 -22.823 1.00 0.00 N ATOM 646 CA TRP A 41 16.712 -4.758 -22.143 1.00 0.00 C ATOM 647 C TRP A 41 15.692 -5.436 -21.236 1.00 0.00 C ATOM 648 O TRP A 41 15.192 -6.517 -21.549 1.00 0.00 O ATOM 649 CB TRP A 41 15.996 -3.873 -23.165 1.00 0.00 C ATOM 650 CG TRP A 41 16.915 -3.299 -24.201 1.00 0.00 C ATOM 651 CD1 TRP A 41 17.436 -3.946 -25.284 1.00 0.00 C ATOM 652 CD2 TRP A 41 17.423 -1.961 -24.248 1.00 0.00 C ATOM 653 NE1 TRP A 41 18.236 -3.092 -26.003 1.00 0.00 N ATOM 654 CE2 TRP A 41 18.244 -1.868 -25.389 1.00 0.00 C ATOM 655 CE3 TRP A 41 17.262 -0.832 -23.440 1.00 0.00 C ATOM 656 CZ2 TRP A 41 18.902 -0.691 -25.737 1.00 0.00 C ATOM 657 CZ3 TRP A 41 17.916 0.334 -23.787 1.00 0.00 C ATOM 658 CH2 TRP A 41 18.727 0.398 -24.928 1.00 0.00 C ATOM 0 H TRP A 41 17.022 -6.506 -23.259 1.00 0.00 H new ATOM 0 HA TRP A 41 17.361 -4.137 -21.526 1.00 0.00 H new ATOM 0 HB2 TRP A 41 15.221 -4.457 -23.661 1.00 0.00 H new ATOM 0 HB3 TRP A 41 15.496 -3.058 -22.642 1.00 0.00 H new ATOM 0 HD1 TRP A 41 17.247 -4.978 -25.538 1.00 0.00 H new ATOM 0 HE1 TRP A 41 18.742 -3.331 -26.856 1.00 0.00 H new ATOM 0 HE3 TRP A 41 16.637 -0.871 -22.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 19.529 -0.640 -26.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 17.800 1.212 -23.168 1.00 0.00 H new ATOM 0 HH2 TRP A 41 19.224 1.325 -25.173 1.00 0.00 H new ATOM 669 N TRP A 42 15.387 -4.796 -20.113 1.00 0.00 N ATOM 670 CA TRP A 42 14.425 -5.339 -19.161 1.00 0.00 C ATOM 671 C TRP A 42 13.276 -4.364 -18.931 1.00 0.00 C ATOM 672 O TRP A 42 13.421 -3.159 -19.138 1.00 0.00 O ATOM 673 CB TRP A 42 15.115 -5.656 -17.832 1.00 0.00 C ATOM 674 CG TRP A 42 16.276 -6.593 -17.975 1.00 0.00 C ATOM 675 CD1 TRP A 42 16.431 -7.569 -18.918 1.00 0.00 C ATOM 676 CD2 TRP A 42 17.443 -6.644 -17.146 1.00 0.00 C ATOM 677 NE1 TRP A 42 17.624 -8.223 -18.725 1.00 0.00 N ATOM 678 CE2 TRP A 42 18.264 -7.674 -17.645 1.00 0.00 C ATOM 679 CE3 TRP A 42 17.874 -5.918 -16.033 1.00 0.00 C ATOM 680 CZ2 TRP A 42 19.489 -7.994 -17.068 1.00 0.00 C ATOM 681 CZ3 TRP A 42 19.091 -6.238 -15.460 1.00 0.00 C ATOM 682 CH2 TRP A 42 19.887 -7.268 -15.978 1.00 0.00 C ATOM 0 H TRP A 42 15.792 -3.901 -19.839 1.00 0.00 H new ATOM 0 HA TRP A 42 14.017 -6.259 -19.580 1.00 0.00 H new ATOM 0 HB2 TRP A 42 15.461 -4.727 -17.379 1.00 0.00 H new ATOM 0 HB3 TRP A 42 14.387 -6.092 -17.148 1.00 0.00 H new ATOM 0 HD1 TRP A 42 15.721 -7.794 -19.700 1.00 0.00 H new ATOM 0 HE1 TRP A 42 17.976 -8.993 -19.294 1.00 0.00 H new ATOM 0 HE3 TRP A 42 17.268 -5.121 -15.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 20.104 -8.787 -17.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 19.434 -5.684 -14.598 1.00 0.00 H new ATOM 0 HH2 TRP A 42 20.833 -7.494 -15.508 1.00 0.00 H new ATOM 693 N LYS A 43 12.135 -4.891 -18.502 1.00 0.00 N ATOM 694 CA LYS A 43 10.960 -4.067 -18.242 1.00 0.00 C ATOM 695 C LYS A 43 10.852 -3.726 -16.760 1.00 0.00 C ATOM 696 O LYS A 43 10.638 -4.604 -15.924 1.00 0.00 O ATOM 697 CB LYS A 43 9.693 -4.790 -18.704 1.00 0.00 C ATOM 698 CG LYS A 43 8.422 -3.985 -18.492 1.00 0.00 C ATOM 699 CD LYS A 43 8.035 -3.214 -19.743 1.00 0.00 C ATOM 700 CE LYS A 43 6.884 -3.884 -20.477 1.00 0.00 C ATOM 701 NZ LYS A 43 7.180 -5.310 -20.786 1.00 0.00 N ATOM 0 H LYS A 43 11.998 -5.886 -18.327 1.00 0.00 H new ATOM 0 HA LYS A 43 11.066 -3.139 -18.803 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.788 -5.031 -19.763 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.608 -5.735 -18.168 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.609 -4.654 -18.210 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.564 -3.290 -17.665 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.752 -2.197 -19.472 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.897 -3.139 -20.407 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.981 -3.824 -19.869 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.681 -3.346 -21.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.359 -5.741 -21.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.007 -5.365 -21.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.382 -5.822 -19.903 1.00 0.00 H new ATOM 715 N VAL A 44 11.000 -2.444 -16.440 1.00 0.00 N ATOM 716 CA VAL A 44 10.916 -1.987 -15.058 1.00 0.00 C ATOM 717 C VAL A 44 9.783 -0.982 -14.879 1.00 0.00 C ATOM 718 O VAL A 44 9.442 -0.247 -15.805 1.00 0.00 O ATOM 719 CB VAL A 44 12.237 -1.340 -14.600 1.00 0.00 C ATOM 720 CG1 VAL A 44 13.381 -2.339 -14.693 1.00 0.00 C ATOM 721 CG2 VAL A 44 12.535 -0.097 -15.424 1.00 0.00 C ATOM 0 H VAL A 44 11.179 -1.704 -17.119 1.00 0.00 H new ATOM 0 HA VAL A 44 10.718 -2.867 -14.445 1.00 0.00 H new ATOM 0 HB VAL A 44 12.132 -1.040 -13.557 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.306 -1.864 -14.366 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.168 -3.197 -14.055 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.490 -2.672 -15.725 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.472 0.347 -15.087 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.621 -0.370 -16.476 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.727 0.624 -15.301 1.00 0.00 H new ATOM 731 N GLU A 45 9.204 -0.958 -13.683 1.00 0.00 N ATOM 732 CA GLU A 45 8.109 -0.044 -13.383 1.00 0.00 C ATOM 733 C GLU A 45 8.574 1.081 -12.463 1.00 0.00 C ATOM 734 O GLU A 45 9.090 0.833 -11.373 1.00 0.00 O ATOM 735 CB GLU A 45 6.947 -0.800 -12.736 1.00 0.00 C ATOM 736 CG GLU A 45 5.753 0.082 -12.409 1.00 0.00 C ATOM 737 CD GLU A 45 4.801 -0.566 -11.423 1.00 0.00 C ATOM 738 OE1 GLU A 45 5.274 -1.047 -10.372 1.00 0.00 O ATOM 739 OE2 GLU A 45 3.584 -0.592 -11.702 1.00 0.00 O ATOM 0 H GLU A 45 9.475 -1.561 -12.906 1.00 0.00 H new ATOM 0 HA GLU A 45 7.770 0.395 -14.321 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.626 -1.598 -13.406 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.299 -1.275 -11.820 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.107 1.028 -11.999 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.215 0.314 -13.328 1.00 0.00 H new ATOM 746 N VAL A 46 8.389 2.319 -12.910 1.00 0.00 N ATOM 747 CA VAL A 46 8.789 3.482 -12.128 1.00 0.00 C ATOM 748 C VAL A 46 7.617 4.033 -11.324 1.00 0.00 C ATOM 749 O VAL A 46 6.456 3.775 -11.641 1.00 0.00 O ATOM 750 CB VAL A 46 9.350 4.599 -13.029 1.00 0.00 C ATOM 751 CG1 VAL A 46 10.121 5.616 -12.202 1.00 0.00 C ATOM 752 CG2 VAL A 46 10.230 4.010 -14.121 1.00 0.00 C ATOM 0 H VAL A 46 7.964 2.542 -13.810 1.00 0.00 H new ATOM 0 HA VAL A 46 9.571 3.150 -11.445 1.00 0.00 H new ATOM 0 HB VAL A 46 8.514 5.113 -13.505 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.510 6.397 -12.856 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.457 6.060 -11.460 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.950 5.121 -11.696 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.618 4.813 -14.748 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.061 3.470 -13.667 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.642 3.324 -14.731 1.00 0.00 H new ATOM 762 N LYS A 47 7.929 4.794 -10.280 1.00 0.00 N ATOM 763 CA LYS A 47 6.902 5.385 -9.430 1.00 0.00 C ATOM 764 C LYS A 47 6.900 6.905 -9.555 1.00 0.00 C ATOM 765 O LYS A 47 7.955 7.532 -9.630 1.00 0.00 O ATOM 766 CB LYS A 47 7.127 4.983 -7.970 1.00 0.00 C ATOM 767 CG LYS A 47 6.402 3.710 -7.571 1.00 0.00 C ATOM 768 CD LYS A 47 5.038 4.009 -6.971 1.00 0.00 C ATOM 769 CE LYS A 47 5.147 4.395 -5.504 1.00 0.00 C ATOM 770 NZ LYS A 47 5.273 5.868 -5.326 1.00 0.00 N ATOM 0 H LYS A 47 8.885 5.016 -10.002 1.00 0.00 H new ATOM 0 HA LYS A 47 5.933 5.010 -9.759 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.195 4.852 -7.799 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.798 5.796 -7.323 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.284 3.069 -8.444 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.005 3.158 -6.850 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.564 4.818 -7.527 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.395 3.134 -7.071 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.267 4.038 -4.968 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.012 3.900 -5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.618 6.185 -4.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.248 6.102 -5.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.041 6.347 -6.220 1.00 0.00 H new ATOM 784 N ALA A 48 5.707 7.490 -9.575 1.00 0.00 N ATOM 785 CA ALA A 48 5.567 8.937 -9.688 1.00 0.00 C ATOM 786 C ALA A 48 4.388 9.441 -8.863 1.00 0.00 C ATOM 787 O ALA A 48 3.486 8.677 -8.518 1.00 0.00 O ATOM 788 CB ALA A 48 5.404 9.339 -11.146 1.00 0.00 C ATOM 0 H ALA A 48 4.823 6.984 -9.514 1.00 0.00 H new ATOM 0 HA ALA A 48 6.474 9.397 -9.295 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.301 10.422 -11.215 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.280 9.021 -11.711 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.514 8.862 -11.558 1.00 0.00 H new ATOM 794 N THR A 49 4.401 10.732 -8.548 1.00 0.00 N ATOM 795 CA THR A 49 3.334 11.338 -7.761 1.00 0.00 C ATOM 796 C THR A 49 2.875 12.654 -8.378 1.00 0.00 C ATOM 797 O THR A 49 3.692 13.511 -8.714 1.00 0.00 O ATOM 798 CB THR A 49 3.782 11.594 -6.310 1.00 0.00 C ATOM 799 OG1 THR A 49 4.443 10.435 -5.789 1.00 0.00 O ATOM 800 CG2 THR A 49 2.592 11.943 -5.430 1.00 0.00 C ATOM 0 H THR A 49 5.139 11.379 -8.826 1.00 0.00 H new ATOM 0 HA THR A 49 2.504 10.632 -7.758 1.00 0.00 H new ATOM 0 HB THR A 49 4.473 12.437 -6.310 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.726 10.607 -4.867 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.933 12.119 -4.410 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.109 12.842 -5.812 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.880 11.118 -5.437 1.00 0.00 H new ATOM 808 N ALA A 50 1.563 12.808 -8.525 1.00 0.00 N ATOM 809 CA ALA A 50 0.996 14.021 -9.099 1.00 0.00 C ATOM 810 C ALA A 50 -0.443 14.226 -8.638 1.00 0.00 C ATOM 811 O ALA A 50 -1.208 13.270 -8.518 1.00 0.00 O ATOM 812 CB ALA A 50 1.063 13.967 -10.618 1.00 0.00 C ATOM 0 H ALA A 50 0.873 12.107 -8.254 1.00 0.00 H new ATOM 0 HA ALA A 50 1.586 14.869 -8.750 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.636 14.880 -11.034 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.102 13.876 -10.933 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.499 13.106 -10.977 1.00 0.00 H new ATOM 818 N ASN A 51 -0.805 15.479 -8.381 1.00 0.00 N ATOM 819 CA ASN A 51 -2.152 15.809 -7.931 1.00 0.00 C ATOM 820 C ASN A 51 -2.515 15.021 -6.676 1.00 0.00 C ATOM 821 O ASN A 51 -3.664 14.625 -6.489 1.00 0.00 O ATOM 822 CB ASN A 51 -3.167 15.519 -9.039 1.00 0.00 C ATOM 823 CG ASN A 51 -2.627 15.847 -10.418 1.00 0.00 C ATOM 824 OD1 ASN A 51 -2.523 17.014 -10.795 1.00 0.00 O ATOM 825 ND2 ASN A 51 -2.281 14.814 -11.178 1.00 0.00 N ATOM 0 H ASN A 51 -0.184 16.282 -8.477 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.178 16.872 -7.691 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.449 14.467 -9.003 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.073 16.098 -8.859 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.912 14.972 -12.116 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.384 13.863 -10.824 1.00 0.00 H new ATOM 832 N GLY A 52 -1.525 14.799 -5.816 1.00 0.00 N ATOM 833 CA GLY A 52 -1.759 14.061 -4.589 1.00 0.00 C ATOM 834 C GLY A 52 -2.084 12.602 -4.843 1.00 0.00 C ATOM 835 O GLY A 52 -2.702 11.941 -4.008 1.00 0.00 O ATOM 0 H GLY A 52 -0.565 15.117 -5.948 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.875 14.128 -3.954 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.581 14.523 -4.042 1.00 0.00 H new ATOM 839 N LYS A 53 -1.667 12.098 -6.000 1.00 0.00 N ATOM 840 CA LYS A 53 -1.917 10.708 -6.363 1.00 0.00 C ATOM 841 C LYS A 53 -0.633 10.028 -6.826 1.00 0.00 C ATOM 842 O LYS A 53 0.203 10.641 -7.491 1.00 0.00 O ATOM 843 CB LYS A 53 -2.974 10.630 -7.467 1.00 0.00 C ATOM 844 CG LYS A 53 -3.851 9.393 -7.384 1.00 0.00 C ATOM 845 CD LYS A 53 -4.930 9.544 -6.325 1.00 0.00 C ATOM 846 CE LYS A 53 -5.184 8.234 -5.596 1.00 0.00 C ATOM 847 NZ LYS A 53 -6.595 8.122 -5.132 1.00 0.00 N ATOM 0 H LYS A 53 -1.154 12.632 -6.702 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.285 10.188 -5.479 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.606 11.517 -7.417 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.476 10.648 -8.437 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.315 9.209 -8.353 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.235 8.524 -7.155 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.632 10.309 -5.608 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.854 9.887 -6.792 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.952 7.399 -6.257 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.513 8.159 -4.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.728 7.215 -4.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.809 8.904 -4.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.234 8.168 -5.951 1.00 0.00 H new ATOM 861 N THR A 54 -0.481 8.756 -6.470 1.00 0.00 N ATOM 862 CA THR A 54 0.701 7.992 -6.849 1.00 0.00 C ATOM 863 C THR A 54 0.387 7.016 -7.977 1.00 0.00 C ATOM 864 O THR A 54 -0.522 6.193 -7.864 1.00 0.00 O ATOM 865 CB THR A 54 1.270 7.208 -5.652 1.00 0.00 C ATOM 866 OG1 THR A 54 0.214 6.847 -4.755 1.00 0.00 O ATOM 867 CG2 THR A 54 2.312 8.033 -4.911 1.00 0.00 C ATOM 0 H THR A 54 -1.162 8.233 -5.919 1.00 0.00 H new ATOM 0 HA THR A 54 1.445 8.711 -7.191 1.00 0.00 H new ATOM 0 HB THR A 54 1.747 6.305 -6.032 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.585 6.347 -3.998 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.700 7.459 -4.070 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.129 8.281 -5.589 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.855 8.952 -4.543 1.00 0.00 H new ATOM 875 N TYR A 55 1.143 7.113 -9.065 1.00 0.00 N ATOM 876 CA TYR A 55 0.944 6.240 -10.215 1.00 0.00 C ATOM 877 C TYR A 55 2.263 5.614 -10.659 1.00 0.00 C ATOM 878 O TYR A 55 3.327 6.214 -10.512 1.00 0.00 O ATOM 879 CB TYR A 55 0.323 7.022 -11.374 1.00 0.00 C ATOM 880 CG TYR A 55 1.287 7.970 -12.050 1.00 0.00 C ATOM 881 CD1 TYR A 55 2.081 7.547 -13.109 1.00 0.00 C ATOM 882 CD2 TYR A 55 1.402 9.290 -11.631 1.00 0.00 C ATOM 883 CE1 TYR A 55 2.964 8.411 -13.729 1.00 0.00 C ATOM 884 CE2 TYR A 55 2.281 10.161 -12.246 1.00 0.00 C ATOM 885 CZ TYR A 55 3.060 9.716 -13.294 1.00 0.00 C ATOM 886 OH TYR A 55 3.937 10.579 -13.910 1.00 0.00 O ATOM 0 H TYR A 55 1.900 7.788 -9.174 1.00 0.00 H new ATOM 0 HA TYR A 55 0.265 5.441 -9.919 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.059 6.318 -12.113 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.531 7.589 -11.003 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.007 6.526 -13.453 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.794 9.641 -10.811 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.575 8.066 -14.550 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.358 11.184 -11.908 1.00 0.00 H new ATOM 0 HH TYR A 55 3.882 11.460 -13.485 1.00 0.00 H new ATOM 896 N GLU A 56 2.183 4.403 -11.202 1.00 0.00 N ATOM 897 CA GLU A 56 3.369 3.695 -11.666 1.00 0.00 C ATOM 898 C GLU A 56 3.324 3.490 -13.178 1.00 0.00 C ATOM 899 O GLU A 56 2.266 3.220 -13.747 1.00 0.00 O ATOM 900 CB GLU A 56 3.493 2.343 -10.961 1.00 0.00 C ATOM 901 CG GLU A 56 3.246 2.413 -9.463 1.00 0.00 C ATOM 902 CD GLU A 56 3.928 1.290 -8.706 1.00 0.00 C ATOM 903 OE1 GLU A 56 5.150 1.109 -8.887 1.00 0.00 O ATOM 904 OE2 GLU A 56 3.240 0.593 -7.931 1.00 0.00 O ATOM 0 H GLU A 56 1.309 3.893 -11.331 1.00 0.00 H new ATOM 0 HA GLU A 56 4.241 4.303 -11.425 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.784 1.645 -11.405 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.490 1.941 -11.138 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.603 3.371 -9.084 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.173 2.375 -9.273 1.00 0.00 H new ATOM 911 N ARG A 57 4.479 3.620 -13.822 1.00 0.00 N ATOM 912 CA ARG A 57 4.571 3.451 -15.267 1.00 0.00 C ATOM 913 C ARG A 57 5.584 2.367 -15.624 1.00 0.00 C ATOM 914 O ARG A 57 6.677 2.316 -15.061 1.00 0.00 O ATOM 915 CB ARG A 57 4.965 4.771 -15.932 1.00 0.00 C ATOM 916 CG ARG A 57 6.160 5.448 -15.281 1.00 0.00 C ATOM 917 CD ARG A 57 6.782 6.487 -16.201 1.00 0.00 C ATOM 918 NE ARG A 57 5.804 7.472 -16.655 1.00 0.00 N ATOM 919 CZ ARG A 57 6.133 8.612 -17.252 1.00 0.00 C ATOM 920 NH1 ARG A 57 7.407 8.909 -17.466 1.00 0.00 N ATOM 921 NH2 ARG A 57 5.186 9.458 -17.636 1.00 0.00 N ATOM 0 H ARG A 57 5.364 3.842 -13.366 1.00 0.00 H new ATOM 0 HA ARG A 57 3.592 3.145 -15.635 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.191 4.586 -16.982 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.113 5.451 -15.904 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.848 5.924 -14.351 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.907 4.698 -15.020 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.592 6.995 -15.678 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.223 5.989 -17.065 1.00 0.00 H new ATOM 0 HE ARG A 57 4.815 7.274 -16.506 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.138 8.261 -17.172 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.656 9.785 -17.925 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.205 9.233 -17.473 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.439 10.333 -18.094 1.00 0.00 H new ATOM 935 N GLN A 58 5.211 1.502 -16.562 1.00 0.00 N ATOM 936 CA GLN A 58 6.087 0.419 -16.993 1.00 0.00 C ATOM 937 C GLN A 58 6.896 0.827 -18.219 1.00 0.00 C ATOM 938 O GLN A 58 6.348 1.340 -19.194 1.00 0.00 O ATOM 939 CB GLN A 58 5.267 -0.835 -17.302 1.00 0.00 C ATOM 940 CG GLN A 58 4.704 -1.515 -16.065 1.00 0.00 C ATOM 941 CD GLN A 58 3.706 -2.606 -16.401 1.00 0.00 C ATOM 942 OE1 GLN A 58 2.504 -2.451 -16.185 1.00 0.00 O ATOM 943 NE2 GLN A 58 4.201 -3.718 -16.932 1.00 0.00 N ATOM 0 H GLN A 58 4.309 1.530 -17.037 1.00 0.00 H new ATOM 0 HA GLN A 58 6.780 0.201 -16.180 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.444 -0.567 -17.965 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.894 -1.544 -17.843 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.523 -1.943 -15.486 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.222 -0.769 -15.433 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.204 -3.803 -17.094 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.578 -4.487 -17.178 1.00 0.00 H new ATOM 952 N GLY A 59 8.204 0.597 -18.163 1.00 0.00 N ATOM 953 CA GLY A 59 9.068 0.948 -19.275 1.00 0.00 C ATOM 954 C GLY A 59 10.219 -0.023 -19.444 1.00 0.00 C ATOM 955 O GLY A 59 10.358 -0.973 -18.673 1.00 0.00 O ATOM 0 H GLY A 59 8.681 0.174 -17.367 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.481 0.974 -20.193 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.463 1.952 -19.121 1.00 0.00 H new ATOM 959 N PHE A 60 11.047 0.213 -20.457 1.00 0.00 N ATOM 960 CA PHE A 60 12.191 -0.650 -20.726 1.00 0.00 C ATOM 961 C PHE A 60 13.501 0.087 -20.467 1.00 0.00 C ATOM 962 O PHE A 60 13.630 1.273 -20.769 1.00 0.00 O ATOM 963 CB PHE A 60 12.151 -1.149 -22.172 1.00 0.00 C ATOM 964 CG PHE A 60 11.004 -2.077 -22.455 1.00 0.00 C ATOM 965 CD1 PHE A 60 9.746 -1.575 -22.747 1.00 0.00 C ATOM 966 CD2 PHE A 60 11.183 -3.450 -22.429 1.00 0.00 C ATOM 967 CE1 PHE A 60 8.688 -2.426 -23.007 1.00 0.00 C ATOM 968 CE2 PHE A 60 10.130 -4.307 -22.688 1.00 0.00 C ATOM 969 CZ PHE A 60 8.881 -3.794 -22.978 1.00 0.00 C ATOM 0 H PHE A 60 10.947 0.995 -21.105 1.00 0.00 H new ATOM 0 HA PHE A 60 12.136 -1.505 -20.052 1.00 0.00 H new ATOM 0 HB2 PHE A 60 12.088 -0.292 -22.842 1.00 0.00 H new ATOM 0 HB3 PHE A 60 13.086 -1.661 -22.397 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.590 -0.507 -22.772 1.00 0.00 H new ATOM 0 HD2 PHE A 60 12.158 -3.856 -22.203 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.712 -2.022 -23.232 1.00 0.00 H new ATOM 0 HE2 PHE A 60 10.284 -5.376 -22.664 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.056 -4.461 -23.182 1.00 0.00 H new ATOM 979 N VAL A 61 14.472 -0.625 -19.904 1.00 0.00 N ATOM 980 CA VAL A 61 15.774 -0.040 -19.604 1.00 0.00 C ATOM 981 C VAL A 61 16.906 -0.947 -20.074 1.00 0.00 C ATOM 982 O VAL A 61 16.752 -2.163 -20.191 1.00 0.00 O ATOM 983 CB VAL A 61 15.935 0.224 -18.095 1.00 0.00 C ATOM 984 CG1 VAL A 61 15.056 1.386 -17.659 1.00 0.00 C ATOM 985 CG2 VAL A 61 15.611 -1.030 -17.297 1.00 0.00 C ATOM 0 H VAL A 61 14.382 -1.608 -19.646 1.00 0.00 H new ATOM 0 HA VAL A 61 15.827 0.908 -20.139 1.00 0.00 H new ATOM 0 HB VAL A 61 16.973 0.493 -17.900 1.00 0.00 H new ATOM 0 HG11 VAL A 61 15.183 1.557 -16.590 1.00 0.00 H new ATOM 0 HG12 VAL A 61 15.342 2.284 -18.207 1.00 0.00 H new ATOM 0 HG13 VAL A 61 14.012 1.151 -17.867 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.730 -0.825 -16.233 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.583 -1.332 -17.496 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.288 -1.833 -17.590 1.00 0.00 H new ATOM 995 N PRO A 62 18.071 -0.343 -20.349 1.00 0.00 N ATOM 996 CA PRO A 62 19.253 -1.078 -20.810 1.00 0.00 C ATOM 997 C PRO A 62 19.854 -1.955 -19.717 1.00 0.00 C ATOM 998 O PRO A 62 20.338 -1.454 -18.702 1.00 0.00 O ATOM 999 CB PRO A 62 20.231 0.033 -21.201 1.00 0.00 C ATOM 1000 CG PRO A 62 19.818 1.207 -20.382 1.00 0.00 C ATOM 1001 CD PRO A 62 18.326 1.102 -20.232 1.00 0.00 C ATOM 0 HA PRO A 62 19.015 -1.762 -21.624 1.00 0.00 H new ATOM 0 HB2 PRO A 62 21.261 -0.254 -20.990 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.174 0.254 -22.267 1.00 0.00 H new ATOM 0 HG2 PRO A 62 20.310 1.197 -19.409 1.00 0.00 H new ATOM 0 HG3 PRO A 62 20.096 2.141 -20.870 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.991 1.492 -19.271 1.00 0.00 H new ATOM 0 HD3 PRO A 62 17.804 1.666 -21.005 1.00 0.00 H new ATOM 1009 N ALA A 63 19.818 -3.266 -19.931 1.00 0.00 N ATOM 1010 CA ALA A 63 20.361 -4.213 -18.964 1.00 0.00 C ATOM 1011 C ALA A 63 21.865 -4.025 -18.797 1.00 0.00 C ATOM 1012 O ALA A 63 22.464 -4.543 -17.855 1.00 0.00 O ATOM 1013 CB ALA A 63 20.050 -5.640 -19.391 1.00 0.00 C ATOM 0 H ALA A 63 19.419 -3.697 -20.765 1.00 0.00 H new ATOM 0 HA ALA A 63 19.888 -4.022 -18.001 1.00 0.00 H new ATOM 0 HB1 ALA A 63 20.461 -6.336 -18.660 1.00 0.00 H new ATOM 0 HB2 ALA A 63 18.970 -5.774 -19.452 1.00 0.00 H new ATOM 0 HB3 ALA A 63 20.496 -5.833 -20.367 1.00 0.00 H new ATOM 1019 N ALA A 64 22.470 -3.281 -19.717 1.00 0.00 N ATOM 1020 CA ALA A 64 23.904 -3.023 -19.670 1.00 0.00 C ATOM 1021 C ALA A 64 24.234 -1.938 -18.651 1.00 0.00 C ATOM 1022 O ALA A 64 25.365 -1.844 -18.174 1.00 0.00 O ATOM 1023 CB ALA A 64 24.415 -2.629 -21.048 1.00 0.00 C ATOM 0 H ALA A 64 21.989 -2.846 -20.504 1.00 0.00 H new ATOM 0 HA ALA A 64 24.403 -3.941 -19.358 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.487 -2.439 -20.998 1.00 0.00 H new ATOM 0 HB2 ALA A 64 24.222 -3.438 -21.753 1.00 0.00 H new ATOM 0 HB3 ALA A 64 23.902 -1.727 -21.382 1.00 0.00 H new ATOM 1029 N TYR A 65 23.240 -1.120 -18.323 1.00 0.00 N ATOM 1030 CA TYR A 65 23.426 -0.039 -17.363 1.00 0.00 C ATOM 1031 C TYR A 65 22.733 -0.358 -16.042 1.00 0.00 C ATOM 1032 O TYR A 65 23.092 0.178 -14.993 1.00 0.00 O ATOM 1033 CB TYR A 65 22.886 1.275 -17.931 1.00 0.00 C ATOM 1034 CG TYR A 65 23.571 1.711 -19.206 1.00 0.00 C ATOM 1035 CD1 TYR A 65 24.898 1.380 -19.453 1.00 0.00 C ATOM 1036 CD2 TYR A 65 22.892 2.453 -20.164 1.00 0.00 C ATOM 1037 CE1 TYR A 65 25.529 1.777 -20.616 1.00 0.00 C ATOM 1038 CE2 TYR A 65 23.514 2.853 -21.331 1.00 0.00 C ATOM 1039 CZ TYR A 65 24.832 2.513 -21.552 1.00 0.00 C ATOM 1040 OH TYR A 65 25.457 2.909 -22.713 1.00 0.00 O ATOM 0 H TYR A 65 22.298 -1.185 -18.708 1.00 0.00 H new ATOM 0 HA TYR A 65 24.495 0.066 -17.176 1.00 0.00 H new ATOM 0 HB2 TYR A 65 21.818 1.167 -18.121 1.00 0.00 H new ATOM 0 HB3 TYR A 65 22.999 2.058 -17.182 1.00 0.00 H new ATOM 0 HD1 TYR A 65 25.445 0.802 -18.723 1.00 0.00 H new ATOM 0 HD2 TYR A 65 21.860 2.722 -19.994 1.00 0.00 H new ATOM 0 HE1 TYR A 65 26.561 1.513 -20.791 1.00 0.00 H new ATOM 0 HE2 TYR A 65 22.971 3.429 -22.066 1.00 0.00 H new ATOM 0 HH TYR A 65 24.828 3.418 -23.266 1.00 0.00 H new ATOM 1050 N VAL A 66 21.736 -1.236 -16.101 1.00 0.00 N ATOM 1051 CA VAL A 66 20.993 -1.630 -14.910 1.00 0.00 C ATOM 1052 C VAL A 66 21.155 -3.119 -14.628 1.00 0.00 C ATOM 1053 O VAL A 66 21.155 -3.940 -15.546 1.00 0.00 O ATOM 1054 CB VAL A 66 19.493 -1.306 -15.053 1.00 0.00 C ATOM 1055 CG1 VAL A 66 19.295 0.156 -15.423 1.00 0.00 C ATOM 1056 CG2 VAL A 66 18.848 -2.218 -16.085 1.00 0.00 C ATOM 0 H VAL A 66 21.425 -1.688 -16.961 1.00 0.00 H new ATOM 0 HA VAL A 66 21.404 -1.059 -14.077 1.00 0.00 H new ATOM 0 HB VAL A 66 19.008 -1.481 -14.093 1.00 0.00 H new ATOM 0 HG11 VAL A 66 18.230 0.366 -15.520 1.00 0.00 H new ATOM 0 HG12 VAL A 66 19.720 0.789 -14.644 1.00 0.00 H new ATOM 0 HG13 VAL A 66 19.793 0.362 -16.371 1.00 0.00 H new ATOM 0 HG21 VAL A 66 17.789 -1.976 -16.173 1.00 0.00 H new ATOM 0 HG22 VAL A 66 19.334 -2.077 -17.050 1.00 0.00 H new ATOM 0 HG23 VAL A 66 18.958 -3.256 -15.772 1.00 0.00 H new ATOM 1066 N LYS A 67 21.293 -3.462 -13.352 1.00 0.00 N ATOM 1067 CA LYS A 67 21.455 -4.853 -12.946 1.00 0.00 C ATOM 1068 C LYS A 67 20.461 -5.218 -11.848 1.00 0.00 C ATOM 1069 O LYS A 67 20.082 -4.376 -11.034 1.00 0.00 O ATOM 1070 CB LYS A 67 22.884 -5.100 -12.458 1.00 0.00 C ATOM 1071 CG LYS A 67 23.091 -6.479 -11.854 1.00 0.00 C ATOM 1072 CD LYS A 67 24.515 -6.662 -11.357 1.00 0.00 C ATOM 1073 CE LYS A 67 25.508 -6.686 -12.509 1.00 0.00 C ATOM 1074 NZ LYS A 67 25.998 -5.321 -12.847 1.00 0.00 N ATOM 0 H LYS A 67 21.296 -2.795 -12.580 1.00 0.00 H new ATOM 0 HA LYS A 67 21.260 -5.484 -13.813 1.00 0.00 H new ATOM 0 HB2 LYS A 67 23.572 -4.972 -13.294 1.00 0.00 H new ATOM 0 HB3 LYS A 67 23.141 -4.345 -11.715 1.00 0.00 H new ATOM 0 HG2 LYS A 67 22.395 -6.624 -11.028 1.00 0.00 H new ATOM 0 HG3 LYS A 67 22.864 -7.241 -12.599 1.00 0.00 H new ATOM 0 HD2 LYS A 67 24.770 -5.853 -10.673 1.00 0.00 H new ATOM 0 HD3 LYS A 67 24.588 -7.592 -10.793 1.00 0.00 H new ATOM 0 HE2 LYS A 67 26.354 -7.321 -12.246 1.00 0.00 H new ATOM 0 HE3 LYS A 67 25.037 -7.130 -13.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 25.784 -5.112 -13.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 25.527 -4.622 -12.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 27.026 -5.274 -12.697 1.00 0.00 H new ATOM 1088 N LYS A 68 20.044 -6.480 -11.830 1.00 0.00 N ATOM 1089 CA LYS A 68 19.096 -6.959 -10.831 1.00 0.00 C ATOM 1090 C LYS A 68 19.708 -6.912 -9.435 1.00 0.00 C ATOM 1091 O LYS A 68 20.929 -6.854 -9.282 1.00 0.00 O ATOM 1092 CB LYS A 68 18.656 -8.387 -11.159 1.00 0.00 C ATOM 1093 CG LYS A 68 19.721 -9.432 -10.874 1.00 0.00 C ATOM 1094 CD LYS A 68 19.597 -10.624 -11.809 1.00 0.00 C ATOM 1095 CE LYS A 68 20.358 -10.396 -13.106 1.00 0.00 C ATOM 1096 NZ LYS A 68 21.827 -10.556 -12.922 1.00 0.00 N ATOM 0 H LYS A 68 20.348 -7.190 -12.497 1.00 0.00 H new ATOM 0 HA LYS A 68 18.225 -6.304 -10.849 1.00 0.00 H new ATOM 0 HB2 LYS A 68 17.762 -8.624 -10.582 1.00 0.00 H new ATOM 0 HB3 LYS A 68 18.379 -8.440 -12.212 1.00 0.00 H new ATOM 0 HG2 LYS A 68 20.709 -8.985 -10.982 1.00 0.00 H new ATOM 0 HG3 LYS A 68 19.635 -9.768 -9.841 1.00 0.00 H new ATOM 0 HD2 LYS A 68 19.978 -11.517 -11.314 1.00 0.00 H new ATOM 0 HD3 LYS A 68 18.545 -10.807 -12.030 1.00 0.00 H new ATOM 0 HE2 LYS A 68 20.008 -11.100 -13.861 1.00 0.00 H new ATOM 0 HE3 LYS A 68 20.146 -9.395 -13.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 22.296 -10.544 -13.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 22.191 -9.775 -12.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 22.021 -11.461 -12.447 1.00 0.00 H new