USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 545 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 9 LYS NZ :NH3+ -154:sc= 1.07 (180deg=0.821) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 170:sc= -2.03! USER MOD Single : A 19 HIS : no HE2:sc= 1.1 K(o=1.1,f=-3.4!) USER MOD Single : A 21 CYS SG : rot -21:sc= -0.888 USER MOD Single : A 24 MET CE :methyl 175:sc= -1.11 (180deg=-1.18) USER MOD Single : A 27 SER OG : rot 73:sc= 0.996 USER MOD Single : A 32 GLN : amide:sc= -0.654 K(o=-0.65,f=-4.9!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.25 K(o=-1.2,f=-10!) USER MOD Single : A 47 ASN : amide:sc= -0.959! C(o=-0.96!,f=-10!) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 23:sc= 1.3 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.0256 X(o=-0.026,f=0) USER MOD Single : A 65 ASN : amide:sc=-0.00343 X(o=-0.0034,f=-0.1) USER MOD Single : A 68 LYS NZ :NH3+ 165:sc= 1.21 (180deg=1.03) USER MOD Single : A 71 CYS SG : rot 129:sc= 0.761 USER MOD Single : A 72 HIS : no HD1:sc= -0.126 K(o=-0.13,f=-0.72) USER MOD Single : A 73 TYR OH : rot 15:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 126:sc= -0.356 USER MOD Single : A 85 SER OG : rot 88:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 72 N GLU A 6 2.162 17.115 1.932 1.00 21.23 N ATOM 73 CA GLU A 6 3.496 16.608 2.176 1.00 34.51 C ATOM 74 C GLU A 6 3.546 15.142 1.754 1.00 72.12 C ATOM 75 O GLU A 6 2.495 14.535 1.522 1.00 21.42 O ATOM 76 CB GLU A 6 3.822 16.770 3.664 1.00 30.22 C ATOM 77 CG GLU A 6 2.759 16.169 4.556 1.00 53.23 C ATOM 78 CD GLU A 6 3.051 16.338 6.035 1.00 4.33 C ATOM 79 OE1 GLU A 6 3.220 17.491 6.485 1.00 60.43 O ATOM 80 OE2 GLU A 6 3.109 15.317 6.753 1.00 43.21 O ATOM 0 HA GLU A 6 4.237 17.161 1.599 1.00 34.51 H new ATOM 0 HB2 GLU A 6 4.781 16.297 3.877 1.00 30.22 H new ATOM 0 HB3 GLU A 6 3.931 17.829 3.896 1.00 30.22 H new ATOM 0 HG2 GLU A 6 1.799 16.631 4.327 1.00 53.23 H new ATOM 0 HG3 GLU A 6 2.663 15.107 4.331 1.00 53.23 H new ATOM 85 N PRO A 7 4.739 14.542 1.640 1.00 12.34 N ATOM 86 CA PRO A 7 4.867 13.165 1.176 1.00 72.00 C ATOM 87 C PRO A 7 4.418 12.165 2.234 1.00 43.44 C ATOM 88 O PRO A 7 4.822 12.241 3.395 1.00 63.32 O ATOM 89 CB PRO A 7 6.360 13.024 0.897 1.00 1.54 C ATOM 90 CG PRO A 7 6.998 13.973 1.842 1.00 52.42 C ATOM 91 CD PRO A 7 6.049 15.135 1.969 1.00 71.11 C ATOM 0 HA PRO A 7 4.242 12.960 0.307 1.00 72.00 H new ATOM 0 HB2 PRO A 7 6.702 12.003 1.066 1.00 1.54 H new ATOM 0 HB3 PRO A 7 6.597 13.272 -0.138 1.00 1.54 H new ATOM 0 HG2 PRO A 7 7.170 13.503 2.810 1.00 52.42 H new ATOM 0 HG3 PRO A 7 7.968 14.301 1.470 1.00 52.42 H new ATOM 0 HD2 PRO A 7 6.059 15.554 2.975 1.00 71.11 H new ATOM 0 HD3 PRO A 7 6.308 15.943 1.284 1.00 71.11 H new ATOM 96 N ARG A 8 3.565 11.243 1.832 1.00 60.02 N ATOM 97 CA ARG A 8 3.103 10.198 2.725 1.00 71.32 C ATOM 98 C ARG A 8 3.949 8.950 2.505 1.00 4.03 C ATOM 99 O ARG A 8 4.937 8.999 1.774 1.00 64.23 O ATOM 100 CB ARG A 8 1.625 9.885 2.458 1.00 13.32 C ATOM 101 CG ARG A 8 0.717 11.110 2.413 1.00 24.42 C ATOM 102 CD ARG A 8 0.689 11.853 3.740 1.00 51.41 C ATOM 103 NE ARG A 8 -0.261 12.970 3.724 1.00 71.21 N ATOM 104 CZ ARG A 8 -0.257 13.966 4.612 1.00 43.55 C ATOM 105 NH1 ARG A 8 0.658 13.999 5.574 1.00 31.14 N ATOM 106 NH2 ARG A 8 -1.169 14.931 4.537 1.00 22.32 N ATOM 0 H ARG A 8 3.177 11.196 0.890 1.00 60.02 H new ATOM 0 HA ARG A 8 3.202 10.532 3.758 1.00 71.32 H new ATOM 0 HB2 ARG A 8 1.545 9.354 1.509 1.00 13.32 H new ATOM 0 HB3 ARG A 8 1.264 9.209 3.233 1.00 13.32 H new ATOM 0 HG2 ARG A 8 1.058 11.785 1.628 1.00 24.42 H new ATOM 0 HG3 ARG A 8 -0.295 10.801 2.150 1.00 24.42 H new ATOM 0 HD2 ARG A 8 0.421 11.160 4.538 1.00 51.41 H new ATOM 0 HD3 ARG A 8 1.687 12.229 3.966 1.00 51.41 H new ATOM 0 HE ARG A 8 -0.968 12.987 2.989 1.00 71.21 H new ATOM 0 HH11 ARG A 8 1.360 13.262 5.635 1.00 31.14 H new ATOM 0 HH12 ARG A 8 0.659 14.762 6.251 1.00 31.14 H new ATOM 0 HH21 ARG A 8 -1.873 14.911 3.800 1.00 22.32 H new ATOM 0 HH22 ARG A 8 -1.164 15.691 5.217 1.00 22.32 H new ATOM 117 N LYS A 9 3.576 7.838 3.125 1.00 2.12 N ATOM 118 CA LYS A 9 4.249 6.571 2.868 1.00 40.21 C ATOM 119 C LYS A 9 3.254 5.426 2.802 1.00 23.53 C ATOM 120 O LYS A 9 2.523 5.157 3.760 1.00 35.23 O ATOM 121 CB LYS A 9 5.313 6.251 3.918 1.00 2.23 C ATOM 122 CG LYS A 9 6.672 6.868 3.641 1.00 2.22 C ATOM 123 CD LYS A 9 7.780 6.131 4.382 1.00 51.44 C ATOM 124 CE LYS A 9 7.943 4.702 3.876 1.00 63.12 C ATOM 125 NZ LYS A 9 9.031 3.984 4.589 1.00 65.51 N ATOM 0 H LYS A 9 2.817 7.787 3.804 1.00 2.12 H new ATOM 0 HA LYS A 9 4.744 6.682 1.903 1.00 40.21 H new ATOM 0 HB2 LYS A 9 4.962 6.596 4.890 1.00 2.23 H new ATOM 0 HB3 LYS A 9 5.426 5.169 3.986 1.00 2.23 H new ATOM 0 HG2 LYS A 9 6.872 6.845 2.570 1.00 2.22 H new ATOM 0 HG3 LYS A 9 6.666 7.916 3.942 1.00 2.22 H new ATOM 0 HD2 LYS A 9 8.720 6.670 4.260 1.00 51.44 H new ATOM 0 HD3 LYS A 9 7.557 6.116 5.449 1.00 51.44 H new ATOM 0 HE2 LYS A 9 7.005 4.162 4.006 1.00 63.12 H new ATOM 0 HE3 LYS A 9 8.157 4.717 2.807 1.00 63.12 H new ATOM 0 HZ1 LYS A 9 9.411 3.234 3.977 1.00 65.51 H new ATOM 0 HZ2 LYS A 9 9.790 4.653 4.828 1.00 65.51 H new ATOM 0 HZ3 LYS A 9 8.655 3.562 5.462 1.00 65.51 H new ATOM 135 N LEU A 10 3.226 4.767 1.659 1.00 31.25 N ATOM 136 CA LEU A 10 2.421 3.576 1.479 1.00 4.25 C ATOM 137 C LEU A 10 3.301 2.339 1.429 1.00 44.04 C ATOM 138 O LEU A 10 4.218 2.247 0.610 1.00 53.34 O ATOM 139 CB LEU A 10 1.599 3.665 0.195 1.00 43.23 C ATOM 140 CG LEU A 10 0.367 4.563 0.270 1.00 72.22 C ATOM 141 CD1 LEU A 10 -0.370 4.543 -1.056 1.00 64.15 C ATOM 142 CD2 LEU A 10 -0.550 4.119 1.403 1.00 4.10 C ATOM 0 H LEU A 10 3.758 5.041 0.833 1.00 31.25 H new ATOM 0 HA LEU A 10 1.744 3.501 2.330 1.00 4.25 H new ATOM 0 HB2 LEU A 10 2.244 4.027 -0.605 1.00 43.23 H new ATOM 0 HB3 LEU A 10 1.280 2.661 -0.083 1.00 43.23 H new ATOM 0 HG LEU A 10 0.688 5.584 0.475 1.00 72.22 H new ATOM 0 HD11 LEU A 10 -1.248 5.186 -0.994 1.00 64.15 H new ATOM 0 HD12 LEU A 10 0.290 4.905 -1.845 1.00 64.15 H new ATOM 0 HD13 LEU A 10 -0.682 3.524 -1.283 1.00 64.15 H new ATOM 0 HD21 LEU A 10 -1.423 4.771 1.441 1.00 4.10 H new ATOM 0 HD22 LEU A 10 -0.871 3.092 1.230 1.00 4.10 H new ATOM 0 HD23 LEU A 10 -0.013 4.176 2.350 1.00 4.10 H new ATOM 153 N VAL A 11 3.023 1.399 2.311 1.00 5.03 N ATOM 154 CA VAL A 11 3.684 0.110 2.271 1.00 73.13 C ATOM 155 C VAL A 11 2.751 -0.919 1.662 1.00 15.24 C ATOM 156 O VAL A 11 1.608 -1.068 2.094 1.00 1.40 O ATOM 157 CB VAL A 11 4.117 -0.381 3.668 1.00 21.43 C ATOM 158 CG1 VAL A 11 4.536 -1.845 3.607 1.00 51.52 C ATOM 159 CG2 VAL A 11 5.248 0.474 4.216 1.00 11.34 C ATOM 0 H VAL A 11 2.343 1.504 3.064 1.00 5.03 H new ATOM 0 HA VAL A 11 4.583 0.232 1.667 1.00 73.13 H new ATOM 0 HB VAL A 11 3.266 -0.289 4.342 1.00 21.43 H new ATOM 0 HG11 VAL A 11 4.839 -2.178 4.600 1.00 51.52 H new ATOM 0 HG12 VAL A 11 3.697 -2.449 3.262 1.00 51.52 H new ATOM 0 HG13 VAL A 11 5.372 -1.956 2.916 1.00 51.52 H new ATOM 0 HG21 VAL A 11 5.536 0.108 5.202 1.00 11.34 H new ATOM 0 HG22 VAL A 11 6.104 0.419 3.544 1.00 11.34 H new ATOM 0 HG23 VAL A 11 4.916 1.509 4.296 1.00 11.34 H new ATOM 169 N VAL A 12 3.233 -1.612 0.657 1.00 43.54 N ATOM 170 CA VAL A 12 2.458 -2.652 0.029 1.00 35.15 C ATOM 171 C VAL A 12 2.963 -4.014 0.474 1.00 33.04 C ATOM 172 O VAL A 12 4.068 -4.429 0.115 1.00 51.52 O ATOM 173 CB VAL A 12 2.521 -2.566 -1.506 1.00 54.42 C ATOM 174 CG1 VAL A 12 1.601 -3.604 -2.116 1.00 2.54 C ATOM 175 CG2 VAL A 12 2.169 -1.170 -1.996 1.00 1.33 C ATOM 0 H VAL A 12 4.161 -1.473 0.257 1.00 43.54 H new ATOM 0 HA VAL A 12 1.421 -2.517 0.335 1.00 35.15 H new ATOM 0 HB VAL A 12 3.543 -2.772 -1.823 1.00 54.42 H new ATOM 0 HG11 VAL A 12 1.649 -3.539 -3.203 1.00 2.54 H new ATOM 0 HG12 VAL A 12 1.913 -4.599 -1.798 1.00 2.54 H new ATOM 0 HG13 VAL A 12 0.578 -3.422 -1.787 1.00 2.54 H new ATOM 0 HG21 VAL A 12 2.223 -1.142 -3.084 1.00 1.33 H new ATOM 0 HG22 VAL A 12 1.158 -0.916 -1.676 1.00 1.33 H new ATOM 0 HG23 VAL A 12 2.873 -0.450 -1.579 1.00 1.33 H new ATOM 185 N TYR A 13 2.173 -4.692 1.290 1.00 13.51 N ATOM 186 CA TYR A 13 2.485 -6.054 1.673 1.00 73.43 C ATOM 187 C TYR A 13 2.074 -6.988 0.552 1.00 11.31 C ATOM 188 O TYR A 13 0.887 -7.134 0.251 1.00 71.13 O ATOM 189 CB TYR A 13 1.771 -6.449 2.968 1.00 63.31 C ATOM 190 CG TYR A 13 2.312 -5.782 4.212 1.00 51.01 C ATOM 191 CD1 TYR A 13 3.631 -5.963 4.608 1.00 51.33 C ATOM 192 CD2 TYR A 13 1.492 -4.985 5.001 1.00 24.02 C ATOM 193 CE1 TYR A 13 4.117 -5.366 5.756 1.00 45.14 C ATOM 194 CE2 TYR A 13 1.972 -4.384 6.147 1.00 30.12 C ATOM 195 CZ TYR A 13 3.284 -4.577 6.521 1.00 44.55 C ATOM 196 OH TYR A 13 3.759 -3.985 7.667 1.00 61.43 O ATOM 0 H TYR A 13 1.315 -4.321 1.697 1.00 13.51 H new ATOM 0 HA TYR A 13 3.558 -6.128 1.851 1.00 73.43 H new ATOM 0 HB2 TYR A 13 0.713 -6.207 2.873 1.00 63.31 H new ATOM 0 HB3 TYR A 13 1.841 -7.530 3.091 1.00 63.31 H new ATOM 0 HD1 TYR A 13 4.286 -6.579 4.010 1.00 51.33 H new ATOM 0 HD2 TYR A 13 0.462 -4.833 4.713 1.00 24.02 H new ATOM 0 HE1 TYR A 13 5.144 -5.517 6.053 1.00 45.14 H new ATOM 0 HE2 TYR A 13 1.322 -3.765 6.748 1.00 30.12 H new ATOM 0 HH TYR A 13 3.044 -3.463 8.086 1.00 61.43 H new ATOM 205 N GLY A 14 3.058 -7.597 -0.079 1.00 32.23 N ATOM 206 CA GLY A 14 2.788 -8.462 -1.198 1.00 2.32 C ATOM 207 C GLY A 14 3.258 -9.873 -0.954 1.00 1.34 C ATOM 208 O GLY A 14 3.815 -10.179 0.101 1.00 1.05 O ATOM 0 H GLY A 14 4.044 -7.507 0.166 1.00 32.23 H new ATOM 0 HA2 GLY A 14 1.717 -8.468 -1.400 1.00 2.32 H new ATOM 0 HA3 GLY A 14 3.278 -8.066 -2.087 1.00 2.32 H new ATOM 212 N ARG A 15 3.041 -10.731 -1.931 1.00 31.11 N ATOM 213 CA ARG A 15 3.382 -12.132 -1.798 1.00 43.52 C ATOM 214 C ARG A 15 3.697 -12.705 -3.168 1.00 32.24 C ATOM 215 O ARG A 15 2.845 -12.704 -4.059 1.00 4.32 O ATOM 216 CB ARG A 15 2.214 -12.889 -1.180 1.00 74.03 C ATOM 217 CG ARG A 15 2.614 -14.023 -0.255 1.00 30.21 C ATOM 218 CD ARG A 15 1.811 -15.281 -0.541 1.00 4.24 C ATOM 219 NE ARG A 15 2.487 -16.140 -1.515 1.00 55.12 N ATOM 220 CZ ARG A 15 1.864 -16.912 -2.407 1.00 61.22 C ATOM 221 NH1 ARG A 15 0.535 -16.962 -2.442 1.00 13.11 N ATOM 222 NH2 ARG A 15 2.576 -17.644 -3.254 1.00 44.15 N ATOM 0 H ARG A 15 2.628 -10.480 -2.829 1.00 31.11 H new ATOM 0 HA ARG A 15 4.254 -12.234 -1.152 1.00 43.52 H new ATOM 0 HB2 ARG A 15 1.596 -12.185 -0.623 1.00 74.03 H new ATOM 0 HB3 ARG A 15 1.595 -13.293 -1.981 1.00 74.03 H new ATOM 0 HG2 ARG A 15 3.677 -14.233 -0.373 1.00 30.21 H new ATOM 0 HG3 ARG A 15 2.462 -13.720 0.781 1.00 30.21 H new ATOM 0 HD2 ARG A 15 1.655 -15.833 0.386 1.00 4.24 H new ATOM 0 HD3 ARG A 15 0.826 -15.007 -0.918 1.00 4.24 H new ATOM 0 HE ARG A 15 3.507 -16.149 -1.511 1.00 55.12 H new ATOM 0 HH11 ARG A 15 -0.014 -16.408 -1.784 1.00 13.11 H new ATOM 0 HH12 ARG A 15 0.065 -17.554 -3.126 1.00 13.11 H new ATOM 0 HH21 ARG A 15 3.595 -17.615 -3.221 1.00 44.15 H new ATOM 0 HH22 ARG A 15 2.104 -18.236 -3.938 1.00 44.15 H new ATOM 233 N GLU A 16 4.918 -13.173 -3.330 1.00 0.33 N ATOM 234 CA GLU A 16 5.370 -13.735 -4.594 1.00 32.32 C ATOM 235 C GLU A 16 4.514 -14.930 -4.994 1.00 54.23 C ATOM 236 O GLU A 16 4.610 -16.003 -4.403 1.00 4.13 O ATOM 237 CB GLU A 16 6.838 -14.144 -4.498 1.00 61.52 C ATOM 238 CG GLU A 16 7.788 -12.963 -4.449 1.00 31.01 C ATOM 239 CD GLU A 16 7.756 -12.147 -5.727 1.00 14.33 C ATOM 240 OE1 GLU A 16 8.460 -12.523 -6.689 1.00 14.51 O ATOM 241 OE2 GLU A 16 7.037 -11.128 -5.774 1.00 13.05 O ATOM 0 H GLU A 16 5.625 -13.176 -2.595 1.00 0.33 H new ATOM 0 HA GLU A 16 5.268 -12.969 -5.363 1.00 32.32 H new ATOM 0 HB2 GLU A 16 6.981 -14.753 -3.605 1.00 61.52 H new ATOM 0 HB3 GLU A 16 7.091 -14.769 -5.354 1.00 61.52 H new ATOM 0 HG2 GLU A 16 7.527 -12.324 -3.606 1.00 31.01 H new ATOM 0 HG3 GLU A 16 8.802 -13.322 -4.275 1.00 31.01 H new ATOM 246 N GLY A 17 3.677 -14.723 -5.999 1.00 12.54 N ATOM 247 CA GLY A 17 2.741 -15.742 -6.418 1.00 42.22 C ATOM 248 C GLY A 17 1.356 -15.166 -6.629 1.00 64.14 C ATOM 249 O GLY A 17 0.527 -15.756 -7.318 1.00 55.35 O ATOM 0 H GLY A 17 3.631 -13.857 -6.536 1.00 12.54 H new ATOM 0 HA2 GLY A 17 3.091 -16.201 -7.343 1.00 42.22 H new ATOM 0 HA3 GLY A 17 2.698 -16.530 -5.667 1.00 42.22 H new ATOM 253 N CYS A 18 1.109 -14.005 -6.032 1.00 13.12 N ATOM 254 CA CYS A 18 -0.166 -13.323 -6.182 1.00 63.25 C ATOM 255 C CYS A 18 -0.143 -12.425 -7.415 1.00 64.25 C ATOM 256 O CYS A 18 0.671 -11.505 -7.512 1.00 32.23 O ATOM 257 CB CYS A 18 -0.473 -12.497 -4.933 1.00 61.03 C ATOM 258 SG CYS A 18 -0.460 -13.454 -3.400 1.00 61.24 S ATOM 0 H CYS A 18 1.779 -13.517 -5.438 1.00 13.12 H new ATOM 0 HA CYS A 18 -0.949 -14.070 -6.309 1.00 63.25 H new ATOM 0 HB2 CYS A 18 0.257 -11.692 -4.853 1.00 61.03 H new ATOM 0 HB3 CYS A 18 -1.451 -12.030 -5.050 1.00 61.03 H new ATOM 0 HG CYS A 18 -0.516 -12.646 -2.383 1.00 61.24 H new ATOM 263 N HIS A 19 -1.029 -12.708 -8.358 1.00 40.20 N ATOM 264 CA HIS A 19 -1.084 -11.960 -9.608 1.00 72.34 C ATOM 265 C HIS A 19 -1.629 -10.549 -9.388 1.00 42.14 C ATOM 266 O HIS A 19 -1.213 -9.612 -10.058 1.00 24.14 O ATOM 267 CB HIS A 19 -1.926 -12.716 -10.638 1.00 43.31 C ATOM 268 CG HIS A 19 -1.860 -12.143 -12.024 1.00 54.04 C ATOM 269 ND1 HIS A 19 -0.678 -11.786 -12.645 1.00 41.31 N ATOM 270 CD2 HIS A 19 -2.842 -11.881 -12.917 1.00 71.00 C ATOM 271 CE1 HIS A 19 -0.939 -11.332 -13.855 1.00 13.02 C ATOM 272 NE2 HIS A 19 -2.242 -11.380 -14.045 1.00 45.24 N ATOM 0 H HIS A 19 -1.722 -13.452 -8.282 1.00 40.20 H new ATOM 0 HA HIS A 19 -0.068 -11.862 -9.992 1.00 72.34 H new ATOM 0 HB2 HIS A 19 -1.596 -13.754 -10.670 1.00 43.31 H new ATOM 0 HB3 HIS A 19 -2.965 -12.722 -10.308 1.00 43.31 H new ATOM 0 HD1 HIS A 19 0.251 -11.862 -12.232 1.00 41.31 H new ATOM 0 HD2 HIS A 19 -3.900 -12.037 -12.770 1.00 71.00 H new ATOM 0 HE1 HIS A 19 -0.209 -10.981 -14.569 1.00 13.02 H new ATOM 279 N LEU A 20 -2.551 -10.391 -8.442 1.00 74.21 N ATOM 280 CA LEU A 20 -3.073 -9.065 -8.121 1.00 53.14 C ATOM 281 C LEU A 20 -1.982 -8.181 -7.535 1.00 0.44 C ATOM 282 O LEU A 20 -1.991 -6.967 -7.724 1.00 73.55 O ATOM 283 CB LEU A 20 -4.261 -9.134 -7.156 1.00 21.12 C ATOM 284 CG LEU A 20 -5.628 -9.348 -7.815 1.00 62.12 C ATOM 285 CD1 LEU A 20 -6.740 -9.272 -6.774 1.00 71.11 C ATOM 286 CD2 LEU A 20 -5.861 -8.313 -8.911 1.00 53.41 C ATOM 0 H LEU A 20 -2.948 -11.152 -7.891 1.00 74.21 H new ATOM 0 HA LEU A 20 -3.424 -8.628 -9.056 1.00 53.14 H new ATOM 0 HB2 LEU A 20 -4.086 -9.944 -6.448 1.00 21.12 H new ATOM 0 HB3 LEU A 20 -4.294 -8.209 -6.580 1.00 21.12 H new ATOM 0 HG LEU A 20 -5.640 -10.340 -8.266 1.00 62.12 H new ATOM 0 HD11 LEU A 20 -7.704 -9.426 -7.259 1.00 71.11 H new ATOM 0 HD12 LEU A 20 -6.586 -10.044 -6.020 1.00 71.11 H new ATOM 0 HD13 LEU A 20 -6.726 -8.292 -6.298 1.00 71.11 H new ATOM 0 HD21 LEU A 20 -6.836 -8.480 -9.368 1.00 53.41 H new ATOM 0 HD22 LEU A 20 -5.829 -7.313 -8.479 1.00 53.41 H new ATOM 0 HD23 LEU A 20 -5.084 -8.406 -9.670 1.00 53.41 H new ATOM 297 N CYS A 21 -1.039 -8.803 -6.836 1.00 73.32 N ATOM 298 CA CYS A 21 0.048 -8.082 -6.180 1.00 62.42 C ATOM 299 C CYS A 21 0.803 -7.203 -7.178 1.00 45.50 C ATOM 300 O CYS A 21 1.031 -6.020 -6.929 1.00 55.53 O ATOM 301 CB CYS A 21 1.005 -9.078 -5.513 1.00 72.43 C ATOM 302 SG CYS A 21 2.351 -8.315 -4.580 1.00 32.41 S ATOM 0 H CYS A 21 -1.005 -9.814 -6.708 1.00 73.32 H new ATOM 0 HA CYS A 21 -0.379 -7.432 -5.417 1.00 62.42 H new ATOM 0 HB2 CYS A 21 0.433 -9.719 -4.842 1.00 72.43 H new ATOM 0 HB3 CYS A 21 1.432 -9.722 -6.282 1.00 72.43 H new ATOM 0 HG CYS A 21 2.526 -7.094 -4.991 1.00 32.41 H new ATOM 307 N GLU A 22 1.147 -7.775 -8.324 1.00 10.44 N ATOM 308 CA GLU A 22 1.900 -7.052 -9.340 1.00 32.02 C ATOM 309 C GLU A 22 1.031 -5.985 -10.009 1.00 30.05 C ATOM 310 O GLU A 22 1.524 -4.920 -10.398 1.00 22.44 O ATOM 311 CB GLU A 22 2.444 -8.033 -10.383 1.00 73.25 C ATOM 312 CG GLU A 22 1.357 -8.771 -11.140 1.00 3.44 C ATOM 313 CD GLU A 22 1.900 -9.819 -12.081 1.00 61.44 C ATOM 314 OE1 GLU A 22 2.418 -9.443 -13.151 1.00 25.04 O ATOM 315 OE2 GLU A 22 1.799 -11.024 -11.760 1.00 72.34 O ATOM 0 H GLU A 22 0.917 -8.737 -8.573 1.00 10.44 H new ATOM 0 HA GLU A 22 2.737 -6.548 -8.857 1.00 32.02 H new ATOM 0 HB2 GLU A 22 3.066 -7.488 -11.094 1.00 73.25 H new ATOM 0 HB3 GLU A 22 3.088 -8.759 -9.887 1.00 73.25 H new ATOM 0 HG2 GLU A 22 0.683 -9.246 -10.426 1.00 3.44 H new ATOM 0 HG3 GLU A 22 0.766 -8.053 -11.708 1.00 3.44 H new ATOM 320 N GLU A 23 -0.264 -6.269 -10.117 1.00 0.14 N ATOM 321 CA GLU A 23 -1.203 -5.348 -10.744 1.00 3.33 C ATOM 322 C GLU A 23 -1.440 -4.135 -9.850 1.00 21.33 C ATOM 323 O GLU A 23 -1.613 -3.013 -10.335 1.00 24.15 O ATOM 324 CB GLU A 23 -2.528 -6.059 -11.042 1.00 3.24 C ATOM 325 CG GLU A 23 -2.360 -7.310 -11.890 1.00 72.32 C ATOM 326 CD GLU A 23 -3.676 -7.916 -12.343 1.00 62.14 C ATOM 327 OE1 GLU A 23 -4.216 -7.469 -13.377 1.00 54.22 O ATOM 328 OE2 GLU A 23 -4.163 -8.861 -11.687 1.00 35.01 O ATOM 0 H GLU A 23 -0.687 -7.133 -9.777 1.00 0.14 H new ATOM 0 HA GLU A 23 -0.773 -5.004 -11.685 1.00 3.33 H new ATOM 0 HB2 GLU A 23 -3.008 -6.328 -10.101 1.00 3.24 H new ATOM 0 HB3 GLU A 23 -3.196 -5.367 -11.555 1.00 3.24 H new ATOM 0 HG2 GLU A 23 -1.760 -7.067 -12.767 1.00 72.32 H new ATOM 0 HG3 GLU A 23 -1.804 -8.054 -11.320 1.00 72.32 H new ATOM 333 N MET A 24 -1.433 -4.368 -8.541 1.00 73.20 N ATOM 334 CA MET A 24 -1.569 -3.288 -7.568 1.00 24.14 C ATOM 335 C MET A 24 -0.385 -2.340 -7.670 1.00 53.31 C ATOM 336 O MET A 24 -0.555 -1.125 -7.647 1.00 74.23 O ATOM 337 CB MET A 24 -1.655 -3.839 -6.144 1.00 5.31 C ATOM 338 CG MET A 24 -2.866 -4.720 -5.889 1.00 51.42 C ATOM 339 SD MET A 24 -4.404 -3.786 -5.783 1.00 2.23 S ATOM 340 CE MET A 24 -4.129 -2.888 -4.257 1.00 4.02 C ATOM 0 H MET A 24 -1.335 -5.296 -8.129 1.00 73.20 H new ATOM 0 HA MET A 24 -2.490 -2.750 -7.791 1.00 24.14 H new ATOM 0 HB2 MET A 24 -0.752 -4.412 -5.933 1.00 5.31 H new ATOM 0 HB3 MET A 24 -1.673 -3.004 -5.444 1.00 5.31 H new ATOM 0 HG2 MET A 24 -2.948 -5.456 -6.689 1.00 51.42 H new ATOM 0 HG3 MET A 24 -2.718 -5.273 -4.961 1.00 51.42 H new ATOM 0 HE1 MET A 24 -4.952 -2.193 -4.091 1.00 4.02 H new ATOM 0 HE2 MET A 24 -4.074 -3.591 -3.426 1.00 4.02 H new ATOM 0 HE3 MET A 24 -3.193 -2.333 -4.325 1.00 4.02 H new ATOM 348 N ILE A 25 0.814 -2.904 -7.800 1.00 2.24 N ATOM 349 CA ILE A 25 2.029 -2.105 -7.916 1.00 13.40 C ATOM 350 C ILE A 25 1.909 -1.098 -9.061 1.00 64.44 C ATOM 351 O ILE A 25 2.133 0.096 -8.869 1.00 31.13 O ATOM 352 CB ILE A 25 3.272 -2.995 -8.139 1.00 30.02 C ATOM 353 CG1 ILE A 25 3.481 -3.932 -6.945 1.00 74.40 C ATOM 354 CG2 ILE A 25 4.511 -2.139 -8.371 1.00 51.40 C ATOM 355 CD1 ILE A 25 4.647 -4.887 -7.112 1.00 64.42 C ATOM 0 H ILE A 25 0.969 -3.912 -7.828 1.00 2.24 H new ATOM 0 HA ILE A 25 2.152 -1.567 -6.976 1.00 13.40 H new ATOM 0 HB ILE A 25 3.105 -3.602 -9.029 1.00 30.02 H new ATOM 0 HG12 ILE A 25 3.640 -3.333 -6.049 1.00 74.40 H new ATOM 0 HG13 ILE A 25 2.571 -4.510 -6.785 1.00 74.40 H new ATOM 0 HG21 ILE A 25 5.375 -2.785 -8.526 1.00 51.40 H new ATOM 0 HG22 ILE A 25 4.362 -1.514 -9.252 1.00 51.40 H new ATOM 0 HG23 ILE A 25 4.683 -1.505 -7.501 1.00 51.40 H new ATOM 0 HD11 ILE A 25 4.731 -5.517 -6.227 1.00 64.42 H new ATOM 0 HD12 ILE A 25 4.482 -5.513 -7.989 1.00 64.42 H new ATOM 0 HD13 ILE A 25 5.568 -4.318 -7.241 1.00 64.42 H new ATOM 366 N ALA A 26 1.518 -1.584 -10.236 1.00 52.41 N ATOM 367 CA ALA A 26 1.355 -0.726 -11.409 1.00 42.32 C ATOM 368 C ALA A 26 0.316 0.362 -11.150 1.00 43.44 C ATOM 369 O ALA A 26 0.495 1.515 -11.547 1.00 4.12 O ATOM 370 CB ALA A 26 0.967 -1.560 -12.621 1.00 65.34 C ATOM 0 H ALA A 26 1.308 -2.568 -10.403 1.00 52.41 H new ATOM 0 HA ALA A 26 2.308 -0.238 -11.612 1.00 42.32 H new ATOM 0 HB1 ALA A 26 0.849 -0.909 -13.488 1.00 65.34 H new ATOM 0 HB2 ALA A 26 1.747 -2.294 -12.822 1.00 65.34 H new ATOM 0 HB3 ALA A 26 0.027 -2.075 -12.423 1.00 65.34 H new ATOM 376 N SER A 27 -0.759 -0.012 -10.464 1.00 42.41 N ATOM 377 CA SER A 27 -1.822 0.922 -10.115 1.00 43.42 C ATOM 378 C SER A 27 -1.286 2.042 -9.220 1.00 52.31 C ATOM 379 O SER A 27 -1.583 3.223 -9.432 1.00 54.13 O ATOM 380 CB SER A 27 -2.956 0.169 -9.411 1.00 75.23 C ATOM 381 OG SER A 27 -3.461 -0.871 -10.235 1.00 14.12 O ATOM 0 H SER A 27 -0.917 -0.965 -10.136 1.00 42.41 H new ATOM 0 HA SER A 27 -2.207 1.376 -11.028 1.00 43.42 H new ATOM 0 HB2 SER A 27 -2.593 -0.249 -8.472 1.00 75.23 H new ATOM 0 HB3 SER A 27 -3.759 0.863 -9.161 1.00 75.23 H new ATOM 0 HG SER A 27 -2.815 -1.607 -10.265 1.00 14.12 H new ATOM 386 N LEU A 28 -0.476 1.664 -8.238 1.00 24.44 N ATOM 387 CA LEU A 28 0.122 2.622 -7.317 1.00 51.54 C ATOM 388 C LEU A 28 1.104 3.542 -8.035 1.00 43.34 C ATOM 389 O LEU A 28 1.162 4.729 -7.740 1.00 51.41 O ATOM 390 CB LEU A 28 0.839 1.905 -6.168 1.00 5.14 C ATOM 391 CG LEU A 28 -0.017 1.584 -4.934 1.00 43.31 C ATOM 392 CD1 LEU A 28 -0.592 2.857 -4.336 1.00 21.41 C ATOM 393 CD2 LEU A 28 -1.139 0.619 -5.275 1.00 24.21 C ATOM 0 H LEU A 28 -0.217 0.694 -8.059 1.00 24.44 H new ATOM 0 HA LEU A 28 -0.689 3.226 -6.909 1.00 51.54 H new ATOM 0 HB2 LEU A 28 1.253 0.972 -6.551 1.00 5.14 H new ATOM 0 HB3 LEU A 28 1.681 2.521 -5.851 1.00 5.14 H new ATOM 0 HG LEU A 28 0.632 1.107 -4.199 1.00 43.31 H new ATOM 0 HD11 LEU A 28 -1.195 2.609 -3.463 1.00 21.41 H new ATOM 0 HD12 LEU A 28 0.221 3.519 -4.039 1.00 21.41 H new ATOM 0 HD13 LEU A 28 -1.215 3.358 -5.077 1.00 21.41 H new ATOM 0 HD21 LEU A 28 -1.726 0.412 -4.380 1.00 24.21 H new ATOM 0 HD22 LEU A 28 -1.781 1.062 -6.036 1.00 24.21 H new ATOM 0 HD23 LEU A 28 -0.716 -0.311 -5.654 1.00 24.21 H new ATOM 404 N ARG A 29 1.862 2.990 -8.980 1.00 61.22 N ATOM 405 CA ARG A 29 2.879 3.760 -9.702 1.00 51.34 C ATOM 406 C ARG A 29 2.270 4.964 -10.415 1.00 43.41 C ATOM 407 O ARG A 29 2.837 6.056 -10.399 1.00 63.42 O ATOM 408 CB ARG A 29 3.606 2.872 -10.712 1.00 2.41 C ATOM 409 CG ARG A 29 4.350 1.717 -10.068 1.00 60.43 C ATOM 410 CD ARG A 29 5.512 2.195 -9.214 1.00 2.43 C ATOM 411 NE ARG A 29 6.774 2.179 -9.954 1.00 62.04 N ATOM 412 CZ ARG A 29 7.831 2.931 -9.652 1.00 51.42 C ATOM 413 NH1 ARG A 29 7.755 3.867 -8.711 1.00 11.51 N ATOM 414 NH2 ARG A 29 8.964 2.763 -10.319 1.00 72.51 N ATOM 0 H ARG A 29 1.793 2.013 -9.265 1.00 61.22 H new ATOM 0 HA ARG A 29 3.594 4.127 -8.966 1.00 51.34 H new ATOM 0 HB2 ARG A 29 2.882 2.477 -11.425 1.00 2.41 H new ATOM 0 HB3 ARG A 29 4.312 3.480 -11.278 1.00 2.41 H new ATOM 0 HG2 ARG A 29 3.660 1.140 -9.452 1.00 60.43 H new ATOM 0 HG3 ARG A 29 4.721 1.047 -10.844 1.00 60.43 H new ATOM 0 HD2 ARG A 29 5.311 3.206 -8.860 1.00 2.43 H new ATOM 0 HD3 ARG A 29 5.600 1.560 -8.332 1.00 2.43 H new ATOM 0 HE ARG A 29 6.849 1.551 -10.754 1.00 62.04 H new ATOM 0 HH11 ARG A 29 6.879 4.017 -8.210 1.00 11.51 H new ATOM 0 HH12 ARG A 29 8.572 4.436 -8.490 1.00 11.51 H new ATOM 0 HH21 ARG A 29 9.022 2.062 -11.058 1.00 72.51 H new ATOM 0 HH22 ARG A 29 9.778 3.335 -10.094 1.00 72.51 H new ATOM 425 N VAL A 30 1.111 4.765 -11.032 1.00 71.11 N ATOM 426 CA VAL A 30 0.444 5.838 -11.758 1.00 32.24 C ATOM 427 C VAL A 30 -0.075 6.909 -10.800 1.00 21.24 C ATOM 428 O VAL A 30 0.037 8.107 -11.070 1.00 12.24 O ATOM 429 CB VAL A 30 -0.714 5.303 -12.630 1.00 21.45 C ATOM 430 CG1 VAL A 30 -1.378 6.437 -13.398 1.00 33.01 C ATOM 431 CG2 VAL A 30 -0.207 4.230 -13.587 1.00 71.04 C ATOM 0 H VAL A 30 0.615 3.874 -11.044 1.00 71.11 H new ATOM 0 HA VAL A 30 1.187 6.287 -12.418 1.00 32.24 H new ATOM 0 HB VAL A 30 -1.460 4.855 -11.974 1.00 21.45 H new ATOM 0 HG11 VAL A 30 -2.190 6.038 -14.005 1.00 33.01 H new ATOM 0 HG12 VAL A 30 -1.776 7.169 -12.695 1.00 33.01 H new ATOM 0 HG13 VAL A 30 -0.644 6.917 -14.045 1.00 33.01 H new ATOM 0 HG21 VAL A 30 -1.035 3.863 -14.194 1.00 71.04 H new ATOM 0 HG22 VAL A 30 0.559 4.654 -14.236 1.00 71.04 H new ATOM 0 HG23 VAL A 30 0.218 3.404 -13.016 1.00 71.04 H new ATOM 441 N LEU A 31 -0.622 6.479 -9.669 1.00 11.54 N ATOM 442 CA LEU A 31 -1.144 7.413 -8.678 1.00 63.20 C ATOM 443 C LEU A 31 0.009 8.144 -7.994 1.00 34.25 C ATOM 444 O LEU A 31 -0.103 9.317 -7.645 1.00 1.23 O ATOM 445 CB LEU A 31 -1.990 6.671 -7.635 1.00 25.32 C ATOM 446 CG LEU A 31 -3.305 7.354 -7.236 1.00 63.43 C ATOM 447 CD1 LEU A 31 -3.983 6.579 -6.118 1.00 44.34 C ATOM 448 CD2 LEU A 31 -3.073 8.797 -6.808 1.00 4.33 C ATOM 0 H LEU A 31 -0.715 5.495 -9.416 1.00 11.54 H new ATOM 0 HA LEU A 31 -1.778 8.141 -9.184 1.00 63.20 H new ATOM 0 HB2 LEU A 31 -2.220 5.678 -8.021 1.00 25.32 H new ATOM 0 HB3 LEU A 31 -1.387 6.532 -6.737 1.00 25.32 H new ATOM 0 HG LEU A 31 -3.956 7.363 -8.110 1.00 63.43 H new ATOM 0 HD11 LEU A 31 -4.915 7.075 -5.845 1.00 44.34 H new ATOM 0 HD12 LEU A 31 -4.197 5.565 -6.456 1.00 44.34 H new ATOM 0 HD13 LEU A 31 -3.324 6.541 -5.250 1.00 44.34 H new ATOM 0 HD21 LEU A 31 -4.024 9.252 -6.532 1.00 4.33 H new ATOM 0 HD22 LEU A 31 -2.398 8.819 -5.952 1.00 4.33 H new ATOM 0 HD23 LEU A 31 -2.630 9.355 -7.633 1.00 4.33 H new ATOM 459 N GLN A 32 1.121 7.437 -7.836 1.00 15.55 N ATOM 460 CA GLN A 32 2.317 7.983 -7.200 1.00 50.42 C ATOM 461 C GLN A 32 2.838 9.191 -7.975 1.00 53.14 C ATOM 462 O GLN A 32 3.422 10.115 -7.401 1.00 25.22 O ATOM 463 CB GLN A 32 3.389 6.894 -7.127 1.00 50.41 C ATOM 464 CG GLN A 32 4.572 7.240 -6.243 1.00 53.01 C ATOM 465 CD GLN A 32 5.650 6.173 -6.272 1.00 33.15 C ATOM 466 OE1 GLN A 32 5.828 5.471 -7.269 1.00 72.03 O ATOM 467 NE2 GLN A 32 6.387 6.045 -5.182 1.00 3.20 N ATOM 0 H GLN A 32 1.221 6.470 -8.144 1.00 15.55 H new ATOM 0 HA GLN A 32 2.066 8.314 -6.192 1.00 50.42 H new ATOM 0 HB2 GLN A 32 2.932 5.975 -6.759 1.00 50.41 H new ATOM 0 HB3 GLN A 32 3.751 6.689 -8.134 1.00 50.41 H new ATOM 0 HG2 GLN A 32 4.997 8.190 -6.566 1.00 53.01 H new ATOM 0 HG3 GLN A 32 4.228 7.377 -5.218 1.00 53.01 H new ATOM 0 HE21 GLN A 32 6.212 6.643 -4.375 1.00 3.20 H new ATOM 0 HE22 GLN A 32 7.131 5.348 -5.148 1.00 3.20 H new ATOM 474 N LYS A 33 2.606 9.181 -9.281 1.00 43.20 N ATOM 475 CA LYS A 33 3.004 10.280 -10.145 1.00 41.41 C ATOM 476 C LYS A 33 2.164 11.520 -9.863 1.00 23.23 C ATOM 477 O LYS A 33 2.645 12.649 -9.949 1.00 44.12 O ATOM 478 CB LYS A 33 2.854 9.882 -11.605 1.00 41.00 C ATOM 479 CG LYS A 33 3.716 8.698 -11.997 1.00 75.23 C ATOM 480 CD LYS A 33 3.748 8.524 -13.497 1.00 20.40 C ATOM 481 CE LYS A 33 2.377 8.188 -14.061 1.00 31.32 C ATOM 482 NZ LYS A 33 2.402 8.064 -15.543 1.00 50.11 N ATOM 0 H LYS A 33 2.140 8.415 -9.767 1.00 43.20 H new ATOM 0 HA LYS A 33 4.049 10.511 -9.941 1.00 41.41 H new ATOM 0 HB2 LYS A 33 1.809 9.643 -11.803 1.00 41.00 H new ATOM 0 HB3 LYS A 33 3.111 10.734 -12.235 1.00 41.00 H new ATOM 0 HG2 LYS A 33 4.729 8.842 -11.622 1.00 75.23 H new ATOM 0 HG3 LYS A 33 3.329 7.792 -11.530 1.00 75.23 H new ATOM 0 HD2 LYS A 33 4.116 9.439 -13.960 1.00 20.40 H new ATOM 0 HD3 LYS A 33 4.450 7.731 -13.755 1.00 20.40 H new ATOM 0 HE2 LYS A 33 2.024 7.254 -13.624 1.00 31.32 H new ATOM 0 HE3 LYS A 33 1.666 8.963 -13.773 1.00 31.32 H new ATOM 0 HZ1 LYS A 33 1.448 7.834 -15.888 1.00 50.11 H new ATOM 0 HZ2 LYS A 33 2.714 8.963 -15.961 1.00 50.11 H new ATOM 0 HZ3 LYS A 33 3.061 7.307 -15.817 1.00 50.11 H new ATOM 492 N LYS A 34 0.911 11.293 -9.508 1.00 20.24 N ATOM 493 CA LYS A 34 -0.029 12.373 -9.253 1.00 73.50 C ATOM 494 C LYS A 34 0.136 12.892 -7.829 1.00 4.43 C ATOM 495 O LYS A 34 0.211 14.100 -7.598 1.00 0.13 O ATOM 496 CB LYS A 34 -1.454 11.870 -9.480 1.00 61.34 C ATOM 497 CG LYS A 34 -1.644 11.240 -10.852 1.00 42.44 C ATOM 498 CD LYS A 34 -3.021 10.614 -11.014 1.00 13.45 C ATOM 499 CE LYS A 34 -3.146 9.935 -12.370 1.00 64.02 C ATOM 500 NZ LYS A 34 -4.492 9.342 -12.591 1.00 71.11 N ATOM 0 H LYS A 34 0.517 10.360 -9.389 1.00 20.24 H new ATOM 0 HA LYS A 34 0.171 13.196 -9.939 1.00 73.50 H new ATOM 0 HB2 LYS A 34 -1.703 11.138 -8.711 1.00 61.34 H new ATOM 0 HB3 LYS A 34 -2.150 12.701 -9.367 1.00 61.34 H new ATOM 0 HG2 LYS A 34 -1.500 11.999 -11.621 1.00 42.44 H new ATOM 0 HG3 LYS A 34 -0.880 10.478 -11.009 1.00 42.44 H new ATOM 0 HD2 LYS A 34 -3.191 9.887 -10.220 1.00 13.45 H new ATOM 0 HD3 LYS A 34 -3.789 11.381 -10.913 1.00 13.45 H new ATOM 0 HE2 LYS A 34 -2.939 10.661 -13.156 1.00 64.02 H new ATOM 0 HE3 LYS A 34 -2.391 9.153 -12.452 1.00 64.02 H new ATOM 0 HZ1 LYS A 34 -4.524 8.893 -13.528 1.00 71.11 H new ATOM 0 HZ2 LYS A 34 -4.682 8.629 -11.858 1.00 71.11 H new ATOM 0 HZ3 LYS A 34 -5.213 10.090 -12.541 1.00 71.11 H new ATOM 510 N SER A 35 0.221 11.966 -6.888 1.00 64.10 N ATOM 511 CA SER A 35 0.365 12.302 -5.481 1.00 10.34 C ATOM 512 C SER A 35 1.437 11.417 -4.853 1.00 51.45 C ATOM 513 O SER A 35 1.308 10.195 -4.838 1.00 1.42 O ATOM 514 CB SER A 35 -0.975 12.129 -4.754 1.00 74.30 C ATOM 515 OG SER A 35 -2.002 12.882 -5.387 1.00 31.15 O ATOM 0 H SER A 35 0.192 10.964 -7.077 1.00 64.10 H new ATOM 0 HA SER A 35 0.669 13.345 -5.388 1.00 10.34 H new ATOM 0 HB2 SER A 35 -1.250 11.074 -4.738 1.00 74.30 H new ATOM 0 HB3 SER A 35 -0.873 12.447 -3.717 1.00 74.30 H new ATOM 0 HG SER A 35 -2.846 12.754 -4.906 1.00 31.15 H new ATOM 520 N TRP A 36 2.503 12.032 -4.357 1.00 0.34 N ATOM 521 CA TRP A 36 3.628 11.276 -3.830 1.00 4.14 C ATOM 522 C TRP A 36 3.324 10.717 -2.446 1.00 42.22 C ATOM 523 O TRP A 36 3.096 11.458 -1.489 1.00 53.24 O ATOM 524 CB TRP A 36 4.896 12.125 -3.772 1.00 62.11 C ATOM 525 CG TRP A 36 6.113 11.314 -3.430 1.00 0.42 C ATOM 526 CD1 TRP A 36 6.678 11.144 -2.198 1.00 30.10 C ATOM 527 CD2 TRP A 36 6.904 10.547 -4.343 1.00 4.32 C ATOM 528 NE1 TRP A 36 7.773 10.322 -2.295 1.00 52.15 N ATOM 529 CE2 TRP A 36 7.934 9.945 -3.600 1.00 42.15 C ATOM 530 CE3 TRP A 36 6.842 10.315 -5.721 1.00 34.32 C ATOM 531 CZ2 TRP A 36 8.890 9.120 -4.182 1.00 12.41 C ATOM 532 CZ3 TRP A 36 7.795 9.497 -6.302 1.00 63.02 C ATOM 533 CH2 TRP A 36 8.809 8.910 -5.533 1.00 61.12 C ATOM 0 H TRP A 36 2.611 13.045 -4.309 1.00 0.34 H new ATOM 0 HA TRP A 36 3.795 10.445 -4.515 1.00 4.14 H new ATOM 0 HB2 TRP A 36 5.047 12.614 -4.735 1.00 62.11 H new ATOM 0 HB3 TRP A 36 4.768 12.914 -3.031 1.00 62.11 H new ATOM 0 HD1 TRP A 36 6.317 11.590 -1.283 1.00 30.10 H new ATOM 0 HE1 TRP A 36 8.371 10.038 -1.519 1.00 52.15 H new ATOM 0 HE3 TRP A 36 6.065 10.766 -6.320 1.00 34.32 H new ATOM 0 HZ2 TRP A 36 9.668 8.661 -3.590 1.00 12.41 H new ATOM 0 HZ3 TRP A 36 7.757 9.308 -7.365 1.00 63.02 H new ATOM 0 HH2 TRP A 36 9.541 8.279 -6.015 1.00 61.12 H new ATOM 543 N PHE A 37 3.333 9.401 -2.355 1.00 12.41 N ATOM 544 CA PHE A 37 3.117 8.710 -1.095 1.00 51.14 C ATOM 545 C PHE A 37 4.211 7.687 -0.858 1.00 3.31 C ATOM 546 O PHE A 37 4.022 6.738 -0.098 1.00 73.42 O ATOM 547 CB PHE A 37 1.745 8.024 -1.088 1.00 43.00 C ATOM 548 CG PHE A 37 1.374 7.366 -2.393 1.00 53.54 C ATOM 549 CD1 PHE A 37 2.130 6.330 -2.920 1.00 74.22 C ATOM 550 CD2 PHE A 37 0.257 7.794 -3.091 1.00 24.52 C ATOM 551 CE1 PHE A 37 1.781 5.737 -4.113 1.00 70.33 C ATOM 552 CE2 PHE A 37 -0.098 7.202 -4.286 1.00 13.52 C ATOM 553 CZ PHE A 37 0.664 6.173 -4.797 1.00 60.41 C ATOM 0 H PHE A 37 3.490 8.781 -3.149 1.00 12.41 H new ATOM 0 HA PHE A 37 3.145 9.446 -0.291 1.00 51.14 H new ATOM 0 HB2 PHE A 37 1.732 7.272 -0.299 1.00 43.00 H new ATOM 0 HB3 PHE A 37 0.984 8.763 -0.838 1.00 43.00 H new ATOM 0 HD1 PHE A 37 3.004 5.984 -2.388 1.00 74.22 H new ATOM 0 HD2 PHE A 37 -0.343 8.600 -2.696 1.00 24.52 H new ATOM 0 HE1 PHE A 37 2.380 4.932 -4.513 1.00 70.33 H new ATOM 0 HE2 PHE A 37 -0.972 7.544 -4.820 1.00 13.52 H new ATOM 0 HZ PHE A 37 0.387 5.708 -5.732 1.00 60.41 H new ATOM 562 N GLU A 38 5.362 7.896 -1.501 1.00 14.04 N ATOM 563 CA GLU A 38 6.467 6.943 -1.436 1.00 31.21 C ATOM 564 C GLU A 38 6.017 5.571 -1.919 1.00 41.11 C ATOM 565 O GLU A 38 4.880 5.392 -2.350 1.00 13.13 O ATOM 566 CB GLU A 38 7.011 6.854 -0.008 1.00 12.33 C ATOM 567 CG GLU A 38 7.766 8.095 0.426 1.00 22.12 C ATOM 568 CD GLU A 38 9.215 8.091 -0.015 1.00 64.41 C ATOM 569 OE1 GLU A 38 9.976 7.211 0.444 1.00 14.10 O ATOM 570 OE2 GLU A 38 9.597 8.967 -0.818 1.00 42.41 O ATOM 0 H GLU A 38 5.551 8.719 -2.073 1.00 14.04 H new ATOM 0 HA GLU A 38 7.265 7.294 -2.090 1.00 31.21 H new ATOM 0 HB2 GLU A 38 6.182 6.683 0.679 1.00 12.33 H new ATOM 0 HB3 GLU A 38 7.672 5.990 0.068 1.00 12.33 H new ATOM 0 HG2 GLU A 38 7.270 8.976 0.018 1.00 22.12 H new ATOM 0 HG3 GLU A 38 7.723 8.179 1.512 1.00 22.12 H new ATOM 575 N LEU A 39 6.912 4.613 -1.913 1.00 45.45 N ATOM 576 CA LEU A 39 6.518 3.256 -2.228 1.00 73.44 C ATOM 577 C LEU A 39 7.433 2.261 -1.551 1.00 61.41 C ATOM 578 O LEU A 39 8.633 2.229 -1.813 1.00 13.31 O ATOM 579 CB LEU A 39 6.479 3.030 -3.740 1.00 72.34 C ATOM 580 CG LEU A 39 5.701 1.788 -4.186 1.00 23.21 C ATOM 581 CD1 LEU A 39 4.359 1.715 -3.475 1.00 4.32 C ATOM 582 CD2 LEU A 39 5.489 1.810 -5.691 1.00 32.23 C ATOM 0 H LEU A 39 7.901 4.740 -1.698 1.00 45.45 H new ATOM 0 HA LEU A 39 5.509 3.100 -1.845 1.00 73.44 H new ATOM 0 HB2 LEU A 39 6.037 3.907 -4.213 1.00 72.34 H new ATOM 0 HB3 LEU A 39 7.502 2.952 -4.108 1.00 72.34 H new ATOM 0 HG LEU A 39 6.285 0.906 -3.923 1.00 23.21 H new ATOM 0 HD11 LEU A 39 3.821 0.826 -3.804 1.00 4.32 H new ATOM 0 HD12 LEU A 39 4.520 1.663 -2.398 1.00 4.32 H new ATOM 0 HD13 LEU A 39 3.773 2.603 -3.712 1.00 4.32 H new ATOM 0 HD21 LEU A 39 4.935 0.921 -5.993 1.00 32.23 H new ATOM 0 HD22 LEU A 39 4.924 2.701 -5.966 1.00 32.23 H new ATOM 0 HD23 LEU A 39 6.456 1.824 -6.194 1.00 32.23 H new ATOM 593 N GLU A 40 6.866 1.465 -0.667 1.00 0.54 N ATOM 594 CA GLU A 40 7.623 0.436 0.006 1.00 25.13 C ATOM 595 C GLU A 40 6.942 -0.903 -0.221 1.00 60.14 C ATOM 596 O GLU A 40 5.797 -1.104 0.179 1.00 33.32 O ATOM 597 CB GLU A 40 7.714 0.766 1.495 1.00 0.41 C ATOM 598 CG GLU A 40 8.845 0.074 2.222 1.00 21.31 C ATOM 599 CD GLU A 40 9.169 0.760 3.529 1.00 43.12 C ATOM 600 OE1 GLU A 40 9.887 1.782 3.497 1.00 51.30 O ATOM 601 OE2 GLU A 40 8.689 0.307 4.585 1.00 21.43 O ATOM 0 H GLU A 40 5.883 1.513 -0.400 1.00 0.54 H new ATOM 0 HA GLU A 40 8.636 0.383 -0.392 1.00 25.13 H new ATOM 0 HB2 GLU A 40 7.831 1.844 1.609 1.00 0.41 H new ATOM 0 HB3 GLU A 40 6.772 0.495 1.973 1.00 0.41 H new ATOM 0 HG2 GLU A 40 8.574 -0.964 2.413 1.00 21.31 H new ATOM 0 HG3 GLU A 40 9.732 0.061 1.588 1.00 21.31 H new ATOM 606 N VAL A 41 7.638 -1.808 -0.879 1.00 70.23 N ATOM 607 CA VAL A 41 7.062 -3.097 -1.229 1.00 34.03 C ATOM 608 C VAL A 41 7.695 -4.191 -0.389 1.00 64.34 C ATOM 609 O VAL A 41 8.874 -4.495 -0.534 1.00 13.44 O ATOM 610 CB VAL A 41 7.245 -3.417 -2.729 1.00 40.42 C ATOM 611 CG1 VAL A 41 6.593 -4.746 -3.078 1.00 73.03 C ATOM 612 CG2 VAL A 41 6.674 -2.294 -3.588 1.00 72.12 C ATOM 0 H VAL A 41 8.603 -1.678 -1.183 1.00 70.23 H new ATOM 0 HA VAL A 41 5.992 -3.049 -1.026 1.00 34.03 H new ATOM 0 HB VAL A 41 8.312 -3.498 -2.935 1.00 40.42 H new ATOM 0 HG11 VAL A 41 6.733 -4.953 -4.139 1.00 73.03 H new ATOM 0 HG12 VAL A 41 7.051 -5.541 -2.490 1.00 73.03 H new ATOM 0 HG13 VAL A 41 5.527 -4.698 -2.856 1.00 73.03 H new ATOM 0 HG21 VAL A 41 6.812 -2.536 -4.642 1.00 72.12 H new ATOM 0 HG22 VAL A 41 5.611 -2.180 -3.378 1.00 72.12 H new ATOM 0 HG23 VAL A 41 7.191 -1.362 -3.359 1.00 72.12 H new ATOM 622 N ILE A 42 6.908 -4.766 0.505 1.00 35.20 N ATOM 623 CA ILE A 42 7.417 -5.755 1.439 1.00 53.25 C ATOM 624 C ILE A 42 6.732 -7.099 1.228 1.00 52.33 C ATOM 625 O ILE A 42 5.538 -7.250 1.492 1.00 42.31 O ATOM 626 CB ILE A 42 7.220 -5.283 2.894 1.00 61.33 C ATOM 627 CG1 ILE A 42 7.889 -3.916 3.083 1.00 73.21 C ATOM 628 CG2 ILE A 42 7.782 -6.301 3.876 1.00 60.11 C ATOM 629 CD1 ILE A 42 7.686 -3.318 4.456 1.00 52.35 C ATOM 0 H ILE A 42 5.913 -4.564 0.603 1.00 35.20 H new ATOM 0 HA ILE A 42 8.484 -5.875 1.253 1.00 53.25 H new ATOM 0 HB ILE A 42 6.153 -5.187 3.094 1.00 61.33 H new ATOM 0 HG12 ILE A 42 8.958 -4.017 2.896 1.00 73.21 H new ATOM 0 HG13 ILE A 42 7.499 -3.225 2.336 1.00 73.21 H new ATOM 0 HG21 ILE A 42 7.631 -5.945 4.895 1.00 60.11 H new ATOM 0 HG22 ILE A 42 7.270 -7.254 3.745 1.00 60.11 H new ATOM 0 HG23 ILE A 42 8.848 -6.434 3.692 1.00 60.11 H new ATOM 0 HD11 ILE A 42 8.189 -2.352 4.510 1.00 52.35 H new ATOM 0 HD12 ILE A 42 6.620 -3.183 4.640 1.00 52.35 H new ATOM 0 HD13 ILE A 42 8.102 -3.987 5.209 1.00 52.35 H new ATOM 640 N ASN A 43 7.482 -8.059 0.712 1.00 21.02 N ATOM 641 CA ASN A 43 6.969 -9.401 0.509 1.00 61.32 C ATOM 642 C ASN A 43 6.862 -10.149 1.830 1.00 35.02 C ATOM 643 O ASN A 43 7.843 -10.275 2.565 1.00 13.14 O ATOM 644 CB ASN A 43 7.877 -10.176 -0.442 1.00 72.21 C ATOM 645 CG ASN A 43 7.101 -10.783 -1.586 1.00 42.50 C ATOM 646 OD1 ASN A 43 6.562 -11.885 -1.474 1.00 54.33 O ATOM 647 ND2 ASN A 43 7.048 -10.073 -2.700 1.00 72.14 N ATOM 0 H ASN A 43 8.453 -7.931 0.425 1.00 21.02 H new ATOM 0 HA ASN A 43 5.974 -9.317 0.073 1.00 61.32 H new ATOM 0 HB2 ASN A 43 8.644 -9.510 -0.836 1.00 72.21 H new ATOM 0 HB3 ASN A 43 8.391 -10.964 0.108 1.00 72.21 H new ATOM 0 HD21 ASN A 43 6.546 -10.434 -3.511 1.00 72.14 H new ATOM 0 HD22 ASN A 43 7.509 -9.165 -2.748 1.00 72.14 H new ATOM 653 N ILE A 44 5.673 -10.649 2.123 1.00 53.42 N ATOM 654 CA ILE A 44 5.450 -11.405 3.345 1.00 12.15 C ATOM 655 C ILE A 44 5.782 -12.876 3.132 1.00 64.32 C ATOM 656 O ILE A 44 5.921 -13.631 4.092 1.00 42.00 O ATOM 657 CB ILE A 44 3.993 -11.301 3.841 1.00 3.32 C ATOM 658 CG1 ILE A 44 3.045 -11.986 2.854 1.00 75.44 C ATOM 659 CG2 ILE A 44 3.602 -9.845 4.043 1.00 2.40 C ATOM 660 CD1 ILE A 44 1.653 -12.193 3.402 1.00 13.32 C ATOM 0 H ILE A 44 4.848 -10.545 1.532 1.00 53.42 H new ATOM 0 HA ILE A 44 6.106 -10.971 4.099 1.00 12.15 H new ATOM 0 HB ILE A 44 3.915 -11.810 4.801 1.00 3.32 H new ATOM 0 HG12 ILE A 44 2.984 -11.387 1.945 1.00 75.44 H new ATOM 0 HG13 ILE A 44 3.463 -12.952 2.571 1.00 75.44 H new ATOM 0 HG21 ILE A 44 2.571 -9.790 4.393 1.00 2.40 H new ATOM 0 HG22 ILE A 44 4.261 -9.391 4.783 1.00 2.40 H new ATOM 0 HG23 ILE A 44 3.693 -9.309 3.098 1.00 2.40 H new ATOM 0 HD11 ILE A 44 1.035 -12.683 2.650 1.00 13.32 H new ATOM 0 HD12 ILE A 44 1.702 -12.817 4.294 1.00 13.32 H new ATOM 0 HD13 ILE A 44 1.216 -11.228 3.658 1.00 13.32 H new ATOM 671 N ASP A 45 5.909 -13.265 1.864 1.00 63.43 N ATOM 672 CA ASP A 45 6.117 -14.665 1.485 1.00 53.20 C ATOM 673 C ASP A 45 7.352 -15.260 2.163 1.00 71.14 C ATOM 674 O ASP A 45 7.368 -16.434 2.530 1.00 64.41 O ATOM 675 CB ASP A 45 6.263 -14.769 -0.035 1.00 41.45 C ATOM 676 CG ASP A 45 6.197 -16.199 -0.540 1.00 75.41 C ATOM 677 OD1 ASP A 45 7.231 -16.898 -0.518 1.00 35.42 O ATOM 678 OD2 ASP A 45 5.108 -16.620 -0.988 1.00 41.01 O ATOM 0 H ASP A 45 5.871 -12.623 1.072 1.00 63.43 H new ATOM 0 HA ASP A 45 5.249 -15.234 1.817 1.00 53.20 H new ATOM 0 HB2 ASP A 45 5.476 -14.185 -0.511 1.00 41.45 H new ATOM 0 HB3 ASP A 45 7.213 -14.327 -0.334 1.00 41.45 H new ATOM 682 N GLY A 46 8.375 -14.434 2.347 1.00 73.25 N ATOM 683 CA GLY A 46 9.618 -14.911 2.925 1.00 51.43 C ATOM 684 C GLY A 46 9.668 -14.758 4.433 1.00 34.22 C ATOM 685 O GLY A 46 10.746 -14.628 5.015 1.00 40.25 O ATOM 0 H GLY A 46 8.366 -13.443 2.107 1.00 73.25 H new ATOM 0 HA2 GLY A 46 9.752 -15.962 2.667 1.00 51.43 H new ATOM 0 HA3 GLY A 46 10.451 -14.365 2.482 1.00 51.43 H new ATOM 689 N ASN A 47 8.509 -14.774 5.072 1.00 2.35 N ATOM 690 CA ASN A 47 8.433 -14.652 6.522 1.00 51.30 C ATOM 691 C ASN A 47 7.185 -15.338 7.049 1.00 54.41 C ATOM 692 O ASN A 47 6.074 -14.911 6.754 1.00 52.04 O ATOM 693 CB ASN A 47 8.417 -13.182 6.940 1.00 41.01 C ATOM 694 CG ASN A 47 8.528 -13.013 8.438 1.00 73.44 C ATOM 695 OD1 ASN A 47 7.527 -13.016 9.152 1.00 25.23 O ATOM 696 ND2 ASN A 47 9.750 -12.868 8.922 1.00 24.45 N ATOM 0 H ASN A 47 7.605 -14.870 4.609 1.00 2.35 H new ATOM 0 HA ASN A 47 9.314 -15.134 6.945 1.00 51.30 H new ATOM 0 HB2 ASN A 47 9.241 -12.659 6.455 1.00 41.01 H new ATOM 0 HB3 ASN A 47 7.495 -12.717 6.591 1.00 41.01 H new ATOM 0 HD21 ASN A 47 9.891 -12.753 9.926 1.00 24.45 H new ATOM 0 HD22 ASN A 47 10.552 -12.872 8.292 1.00 24.45 H new ATOM 702 N GLU A 48 7.373 -16.387 7.840 1.00 50.12 N ATOM 703 CA GLU A 48 6.255 -17.176 8.353 1.00 55.00 C ATOM 704 C GLU A 48 5.258 -16.312 9.127 1.00 31.24 C ATOM 705 O GLU A 48 4.048 -16.547 9.074 1.00 44.11 O ATOM 706 CB GLU A 48 6.763 -18.288 9.262 1.00 60.10 C ATOM 707 CG GLU A 48 5.656 -19.208 9.751 1.00 73.05 C ATOM 708 CD GLU A 48 6.043 -19.960 10.998 1.00 15.05 C ATOM 709 OE1 GLU A 48 5.931 -19.374 12.095 1.00 45.34 O ATOM 710 OE2 GLU A 48 6.464 -21.125 10.891 1.00 31.12 O ATOM 0 H GLU A 48 8.291 -16.713 8.142 1.00 50.12 H new ATOM 0 HA GLU A 48 5.743 -17.605 7.492 1.00 55.00 H new ATOM 0 HB2 GLU A 48 7.507 -18.877 8.725 1.00 60.10 H new ATOM 0 HB3 GLU A 48 7.266 -17.846 10.122 1.00 60.10 H new ATOM 0 HG2 GLU A 48 4.759 -18.620 9.948 1.00 73.05 H new ATOM 0 HG3 GLU A 48 5.404 -19.919 8.964 1.00 73.05 H new ATOM 715 N HIS A 49 5.766 -15.304 9.832 1.00 4.11 N ATOM 716 CA HIS A 49 4.909 -14.448 10.645 1.00 40.30 C ATOM 717 C HIS A 49 4.031 -13.597 9.746 1.00 32.51 C ATOM 718 O HIS A 49 2.806 -13.611 9.866 1.00 44.30 O ATOM 719 CB HIS A 49 5.730 -13.547 11.573 1.00 12.15 C ATOM 720 CG HIS A 49 6.476 -14.285 12.644 1.00 32.53 C ATOM 721 ND1 HIS A 49 7.831 -14.148 12.854 1.00 11.11 N ATOM 722 CD2 HIS A 49 6.044 -15.165 13.577 1.00 64.32 C ATOM 723 CE1 HIS A 49 8.196 -14.907 13.868 1.00 23.52 C ATOM 724 NE2 HIS A 49 7.131 -15.535 14.325 1.00 34.44 N ATOM 0 H HIS A 49 6.757 -15.062 9.857 1.00 4.11 H new ATOM 0 HA HIS A 49 4.286 -15.091 11.267 1.00 40.30 H new ATOM 0 HB2 HIS A 49 6.443 -12.981 10.974 1.00 12.15 H new ATOM 0 HB3 HIS A 49 5.063 -12.824 12.043 1.00 12.15 H new ATOM 0 HD2 HIS A 49 5.030 -15.512 13.708 1.00 64.32 H new ATOM 0 HE1 HIS A 49 9.199 -14.999 14.259 1.00 23.52 H new ATOM 0 HE2 HIS A 49 7.118 -16.189 15.107 1.00 34.44 H new ATOM 731 N LEU A 50 4.668 -12.883 8.826 1.00 72.21 N ATOM 732 CA LEU A 50 3.956 -12.013 7.901 1.00 34.31 C ATOM 733 C LEU A 50 3.068 -12.815 6.955 1.00 62.41 C ATOM 734 O LEU A 50 1.950 -12.394 6.659 1.00 64.52 O ATOM 735 CB LEU A 50 4.937 -11.158 7.100 1.00 74.50 C ATOM 736 CG LEU A 50 5.717 -10.124 7.914 1.00 54.31 C ATOM 737 CD1 LEU A 50 6.587 -9.282 6.998 1.00 13.44 C ATOM 738 CD2 LEU A 50 4.766 -9.238 8.706 1.00 31.32 C ATOM 0 H LEU A 50 5.680 -12.890 8.701 1.00 72.21 H new ATOM 0 HA LEU A 50 3.318 -11.357 8.493 1.00 34.31 H new ATOM 0 HB2 LEU A 50 5.649 -11.818 6.605 1.00 74.50 H new ATOM 0 HB3 LEU A 50 4.385 -10.639 6.316 1.00 74.50 H new ATOM 0 HG LEU A 50 6.360 -10.652 8.618 1.00 54.31 H new ATOM 0 HD11 LEU A 50 7.137 -8.550 7.590 1.00 13.44 H new ATOM 0 HD12 LEU A 50 7.292 -9.926 6.472 1.00 13.44 H new ATOM 0 HD13 LEU A 50 5.958 -8.764 6.274 1.00 13.44 H new ATOM 0 HD21 LEU A 50 5.340 -8.509 9.278 1.00 31.32 H new ATOM 0 HD22 LEU A 50 4.098 -8.717 8.020 1.00 31.32 H new ATOM 0 HD23 LEU A 50 4.178 -9.853 9.387 1.00 31.32 H new ATOM 749 N THR A 51 3.560 -13.969 6.490 1.00 64.33 N ATOM 750 CA THR A 51 2.773 -14.822 5.603 1.00 43.44 C ATOM 751 C THR A 51 1.422 -15.146 6.225 1.00 1.03 C ATOM 752 O THR A 51 0.388 -14.831 5.662 1.00 35.34 O ATOM 753 CB THR A 51 3.478 -16.153 5.262 1.00 63.52 C ATOM 754 OG1 THR A 51 4.726 -15.910 4.604 1.00 52.52 O ATOM 755 CG2 THR A 51 2.591 -17.011 4.365 1.00 22.23 C ATOM 0 H THR A 51 4.489 -14.328 6.712 1.00 64.33 H new ATOM 0 HA THR A 51 2.648 -14.253 4.682 1.00 43.44 H new ATOM 0 HB THR A 51 3.666 -16.683 6.196 1.00 63.52 H new ATOM 0 HG1 THR A 51 5.043 -15.010 4.826 1.00 52.52 H new ATOM 0 HG21 THR A 51 3.103 -17.945 4.134 1.00 22.23 H new ATOM 0 HG22 THR A 51 1.655 -17.227 4.879 1.00 22.23 H new ATOM 0 HG23 THR A 51 2.381 -16.474 3.440 1.00 22.23 H new ATOM 763 N ARG A 52 1.440 -15.740 7.406 1.00 12.01 N ATOM 764 CA ARG A 52 0.208 -16.172 8.048 1.00 74.33 C ATOM 765 C ARG A 52 -0.649 -14.979 8.460 1.00 73.45 C ATOM 766 O ARG A 52 -1.876 -15.064 8.470 1.00 62.41 O ATOM 767 CB ARG A 52 0.505 -17.084 9.245 1.00 21.10 C ATOM 768 CG ARG A 52 1.011 -18.459 8.827 1.00 75.24 C ATOM 769 CD ARG A 52 1.050 -19.431 9.995 1.00 14.25 C ATOM 770 NE ARG A 52 2.164 -19.177 10.911 1.00 42.44 N ATOM 771 CZ ARG A 52 2.171 -19.552 12.194 1.00 41.10 C ATOM 772 NH1 ARG A 52 1.095 -20.126 12.729 1.00 33.44 N ATOM 773 NH2 ARG A 52 3.253 -19.362 12.939 1.00 42.31 N ATOM 0 H ARG A 52 2.288 -15.934 7.938 1.00 12.01 H new ATOM 0 HA ARG A 52 -0.363 -16.750 7.321 1.00 74.33 H new ATOM 0 HB2 ARG A 52 1.248 -16.607 9.884 1.00 21.10 H new ATOM 0 HB3 ARG A 52 -0.400 -17.200 9.841 1.00 21.10 H new ATOM 0 HG2 ARG A 52 0.367 -18.859 8.044 1.00 75.24 H new ATOM 0 HG3 ARG A 52 2.010 -18.364 8.401 1.00 75.24 H new ATOM 0 HD2 ARG A 52 0.112 -19.367 10.546 1.00 14.25 H new ATOM 0 HD3 ARG A 52 1.126 -20.449 9.612 1.00 14.25 H new ATOM 0 HE ARG A 52 2.981 -18.686 10.549 1.00 42.44 H new ATOM 0 HH11 ARG A 52 0.263 -20.280 12.159 1.00 33.44 H new ATOM 0 HH12 ARG A 52 1.103 -20.411 13.708 1.00 33.44 H new ATOM 0 HH21 ARG A 52 4.082 -18.929 12.533 1.00 42.31 H new ATOM 0 HH22 ARG A 52 3.255 -19.649 13.918 1.00 42.31 H new ATOM 784 N LEU A 53 -0.002 -13.871 8.789 1.00 74.41 N ATOM 785 CA LEU A 53 -0.709 -12.664 9.191 1.00 64.33 C ATOM 786 C LEU A 53 -1.503 -12.064 8.027 1.00 4.22 C ATOM 787 O LEU A 53 -2.703 -11.816 8.148 1.00 73.44 O ATOM 788 CB LEU A 53 0.277 -11.631 9.734 1.00 11.14 C ATOM 789 CG LEU A 53 -0.094 -11.021 11.089 1.00 33.25 C ATOM 790 CD1 LEU A 53 0.995 -10.067 11.561 1.00 71.24 C ATOM 791 CD2 LEU A 53 -1.433 -10.300 11.009 1.00 1.52 C ATOM 0 H LEU A 53 1.014 -13.783 8.785 1.00 74.41 H new ATOM 0 HA LEU A 53 -1.415 -12.939 9.975 1.00 64.33 H new ATOM 0 HB2 LEU A 53 1.257 -12.100 9.821 1.00 11.14 H new ATOM 0 HB3 LEU A 53 0.372 -10.826 9.005 1.00 11.14 H new ATOM 0 HG LEU A 53 -0.184 -11.831 11.813 1.00 33.25 H new ATOM 0 HD11 LEU A 53 0.714 -9.643 12.525 1.00 71.24 H new ATOM 0 HD12 LEU A 53 1.935 -10.610 11.663 1.00 71.24 H new ATOM 0 HD13 LEU A 53 1.116 -9.265 10.833 1.00 71.24 H new ATOM 0 HD21 LEU A 53 -1.676 -9.875 11.983 1.00 1.52 H new ATOM 0 HD22 LEU A 53 -1.373 -9.502 10.269 1.00 1.52 H new ATOM 0 HD23 LEU A 53 -2.210 -11.007 10.718 1.00 1.52 H new ATOM 802 N TYR A 54 -0.841 -11.842 6.891 1.00 70.35 N ATOM 803 CA TYR A 54 -1.482 -11.153 5.773 1.00 2.34 C ATOM 804 C TYR A 54 -1.723 -12.080 4.579 1.00 61.13 C ATOM 805 O TYR A 54 -1.918 -11.604 3.470 1.00 12.41 O ATOM 806 CB TYR A 54 -0.640 -9.954 5.300 1.00 65.01 C ATOM 807 CG TYR A 54 -0.316 -8.931 6.365 1.00 73.31 C ATOM 808 CD1 TYR A 54 0.813 -9.065 7.163 1.00 32.10 C ATOM 809 CD2 TYR A 54 -1.120 -7.813 6.549 1.00 34.25 C ATOM 810 CE1 TYR A 54 1.129 -8.119 8.117 1.00 70.03 C ATOM 811 CE2 TYR A 54 -0.814 -6.863 7.501 1.00 11.13 C ATOM 812 CZ TYR A 54 0.313 -7.019 8.283 1.00 65.41 C ATOM 813 OH TYR A 54 0.631 -6.071 9.227 1.00 64.33 O ATOM 0 H TYR A 54 0.124 -12.125 6.722 1.00 70.35 H new ATOM 0 HA TYR A 54 -2.445 -10.806 6.148 1.00 2.34 H new ATOM 0 HB2 TYR A 54 0.295 -10.329 4.884 1.00 65.01 H new ATOM 0 HB3 TYR A 54 -1.172 -9.455 4.490 1.00 65.01 H new ATOM 0 HD1 TYR A 54 1.455 -9.924 7.035 1.00 32.10 H new ATOM 0 HD2 TYR A 54 -2.000 -7.686 5.936 1.00 34.25 H new ATOM 0 HE1 TYR A 54 2.010 -8.239 8.730 1.00 70.03 H new ATOM 0 HE2 TYR A 54 -1.452 -6.002 7.634 1.00 11.13 H new ATOM 0 HH TYR A 54 -0.044 -5.360 9.217 1.00 64.33 H new ATOM 822 N ASN A 55 -1.726 -13.390 4.792 1.00 4.00 N ATOM 823 CA ASN A 55 -1.955 -14.333 3.684 1.00 54.22 C ATOM 824 C ASN A 55 -3.317 -14.087 3.044 1.00 2.22 C ATOM 825 O ASN A 55 -3.468 -14.168 1.825 1.00 62.24 O ATOM 826 CB ASN A 55 -1.842 -15.791 4.151 1.00 14.15 C ATOM 827 CG ASN A 55 -2.041 -16.789 3.018 1.00 53.23 C ATOM 828 OD1 ASN A 55 -1.094 -17.146 2.316 1.00 41.24 O ATOM 829 ND2 ASN A 55 -3.268 -17.259 2.844 1.00 30.34 N ATOM 0 H ASN A 55 -1.576 -13.826 5.702 1.00 4.00 H new ATOM 0 HA ASN A 55 -1.178 -14.160 2.939 1.00 54.22 H new ATOM 0 HB2 ASN A 55 -0.862 -15.949 4.601 1.00 14.15 H new ATOM 0 HB3 ASN A 55 -2.583 -15.978 4.928 1.00 14.15 H new ATOM 0 HD21 ASN A 55 -3.453 -17.941 2.108 1.00 30.34 H new ATOM 0 HD22 ASN A 55 -4.027 -16.939 3.446 1.00 30.34 H new ATOM 835 N ASP A 56 -4.299 -13.765 3.870 1.00 11.10 N ATOM 836 CA ASP A 56 -5.632 -13.440 3.383 1.00 45.01 C ATOM 837 C ASP A 56 -5.841 -11.927 3.422 1.00 3.44 C ATOM 838 O ASP A 56 -6.954 -11.425 3.282 1.00 70.22 O ATOM 839 CB ASP A 56 -6.691 -14.155 4.234 1.00 70.41 C ATOM 840 CG ASP A 56 -8.084 -14.094 3.632 1.00 41.23 C ATOM 841 OD1 ASP A 56 -8.326 -14.775 2.611 1.00 70.30 O ATOM 842 OD2 ASP A 56 -8.946 -13.367 4.174 1.00 20.33 O ATOM 0 H ASP A 56 -4.199 -13.721 4.884 1.00 11.10 H new ATOM 0 HA ASP A 56 -5.732 -13.780 2.352 1.00 45.01 H new ATOM 0 HB2 ASP A 56 -6.402 -15.198 4.360 1.00 70.41 H new ATOM 0 HB3 ASP A 56 -6.712 -13.708 5.228 1.00 70.41 H new ATOM 846 N ARG A 57 -4.747 -11.195 3.588 1.00 54.55 N ATOM 847 CA ARG A 57 -4.810 -9.759 3.716 1.00 20.42 C ATOM 848 C ARG A 57 -3.679 -9.123 2.916 1.00 60.11 C ATOM 849 O ARG A 57 -3.196 -8.053 3.267 1.00 13.34 O ATOM 850 CB ARG A 57 -4.694 -9.361 5.194 1.00 31.23 C ATOM 851 CG ARG A 57 -5.202 -7.958 5.493 1.00 42.15 C ATOM 852 CD ARG A 57 -4.661 -7.424 6.812 1.00 31.44 C ATOM 853 NE ARG A 57 -4.874 -8.355 7.919 1.00 14.23 N ATOM 854 CZ ARG A 57 -4.558 -8.086 9.189 1.00 11.33 C ATOM 855 NH1 ARG A 57 -4.099 -6.887 9.528 1.00 14.13 N ATOM 856 NH2 ARG A 57 -4.728 -9.010 10.127 1.00 2.35 N ATOM 0 H ARG A 57 -3.804 -11.582 3.636 1.00 54.55 H new ATOM 0 HA ARG A 57 -5.765 -9.406 3.328 1.00 20.42 H new ATOM 0 HB2 ARG A 57 -5.252 -10.076 5.798 1.00 31.23 H new ATOM 0 HB3 ARG A 57 -3.650 -9.432 5.499 1.00 31.23 H new ATOM 0 HG2 ARG A 57 -4.912 -7.287 4.684 1.00 42.15 H new ATOM 0 HG3 ARG A 57 -6.292 -7.966 5.525 1.00 42.15 H new ATOM 0 HD2 ARG A 57 -3.595 -7.223 6.710 1.00 31.44 H new ATOM 0 HD3 ARG A 57 -5.144 -6.474 7.042 1.00 31.44 H new ATOM 0 HE ARG A 57 -5.288 -9.263 7.709 1.00 14.23 H new ATOM 0 HH11 ARG A 57 -3.986 -6.165 8.817 1.00 14.13 H new ATOM 0 HH12 ARG A 57 -3.860 -6.688 10.499 1.00 14.13 H new ATOM 0 HH21 ARG A 57 -5.100 -9.927 9.878 1.00 2.35 H new ATOM 0 HH22 ARG A 57 -4.486 -8.803 11.096 1.00 2.35 H new ATOM 867 N VAL A 58 -3.247 -9.783 1.840 1.00 44.33 N ATOM 868 CA VAL A 58 -2.222 -9.208 0.992 1.00 5.01 C ATOM 869 C VAL A 58 -2.861 -8.263 -0.019 1.00 32.51 C ATOM 870 O VAL A 58 -3.923 -7.709 0.281 1.00 64.30 O ATOM 871 CB VAL A 58 -1.295 -10.243 0.316 1.00 12.55 C ATOM 872 CG1 VAL A 58 -0.033 -10.429 1.127 1.00 25.10 C ATOM 873 CG2 VAL A 58 -1.993 -11.563 0.082 1.00 24.30 C ATOM 0 H VAL A 58 -3.588 -10.698 1.546 1.00 44.33 H new ATOM 0 HA VAL A 58 -1.556 -8.643 1.644 1.00 5.01 H new ATOM 0 HB VAL A 58 -1.023 -9.852 -0.665 1.00 12.55 H new ATOM 0 HG11 VAL A 58 0.609 -11.161 0.638 1.00 25.10 H new ATOM 0 HG12 VAL A 58 0.494 -9.478 1.204 1.00 25.10 H new ATOM 0 HG13 VAL A 58 -0.291 -10.782 2.125 1.00 25.10 H new ATOM 0 HG21 VAL A 58 -1.304 -12.260 -0.395 1.00 24.30 H new ATOM 0 HG22 VAL A 58 -2.323 -11.974 1.036 1.00 24.30 H new ATOM 0 HG23 VAL A 58 -2.857 -11.408 -0.564 1.00 24.30 H new ATOM 883 N PRO A 59 -2.330 -8.142 -1.262 1.00 60.22 N ATOM 884 CA PRO A 59 -2.216 -6.877 -1.928 1.00 63.21 C ATOM 885 C PRO A 59 -2.804 -5.728 -1.114 1.00 44.13 C ATOM 886 O PRO A 59 -3.859 -5.179 -1.439 1.00 10.10 O ATOM 887 CB PRO A 59 -2.953 -7.156 -3.230 1.00 34.54 C ATOM 888 CG PRO A 59 -2.633 -8.600 -3.521 1.00 41.50 C ATOM 889 CD PRO A 59 -2.055 -9.192 -2.247 1.00 21.14 C ATOM 0 HA PRO A 59 -1.191 -6.540 -2.082 1.00 63.21 H new ATOM 0 HB2 PRO A 59 -4.026 -6.997 -3.124 1.00 34.54 H new ATOM 0 HB3 PRO A 59 -2.611 -6.501 -4.032 1.00 34.54 H new ATOM 0 HG2 PRO A 59 -3.530 -9.140 -3.825 1.00 41.50 H new ATOM 0 HG3 PRO A 59 -1.920 -8.679 -4.341 1.00 41.50 H new ATOM 0 HD2 PRO A 59 -2.535 -10.134 -1.982 1.00 21.14 H new ATOM 0 HD3 PRO A 59 -0.988 -9.393 -2.340 1.00 21.14 H new ATOM 894 N VAL A 60 -2.103 -5.401 -0.035 1.00 1.51 N ATOM 895 CA VAL A 60 -2.637 -4.556 1.012 1.00 63.13 C ATOM 896 C VAL A 60 -1.828 -3.266 1.119 1.00 74.50 C ATOM 897 O VAL A 60 -0.601 -3.275 0.985 1.00 25.15 O ATOM 898 CB VAL A 60 -2.633 -5.337 2.360 1.00 30.43 C ATOM 899 CG1 VAL A 60 -1.261 -5.383 2.991 1.00 0.32 C ATOM 900 CG2 VAL A 60 -3.635 -4.794 3.352 1.00 53.12 C ATOM 0 H VAL A 60 -1.148 -5.717 0.134 1.00 1.51 H new ATOM 0 HA VAL A 60 -3.664 -4.283 0.770 1.00 63.13 H new ATOM 0 HB VAL A 60 -2.930 -6.354 2.104 1.00 30.43 H new ATOM 0 HG11 VAL A 60 -1.310 -5.938 3.928 1.00 0.32 H new ATOM 0 HG12 VAL A 60 -0.565 -5.877 2.313 1.00 0.32 H new ATOM 0 HG13 VAL A 60 -0.917 -4.368 3.188 1.00 0.32 H new ATOM 0 HG21 VAL A 60 -3.588 -5.376 4.272 1.00 53.12 H new ATOM 0 HG22 VAL A 60 -3.403 -3.752 3.570 1.00 53.12 H new ATOM 0 HG23 VAL A 60 -4.638 -4.862 2.930 1.00 53.12 H new ATOM 910 N LEU A 61 -2.516 -2.155 1.322 1.00 65.33 N ATOM 911 CA LEU A 61 -1.850 -0.870 1.459 1.00 75.05 C ATOM 912 C LEU A 61 -1.796 -0.440 2.913 1.00 54.44 C ATOM 913 O LEU A 61 -2.820 -0.115 3.517 1.00 45.13 O ATOM 914 CB LEU A 61 -2.548 0.202 0.621 1.00 14.13 C ATOM 915 CG LEU A 61 -2.380 0.053 -0.893 1.00 52.22 C ATOM 916 CD1 LEU A 61 -3.099 1.182 -1.615 1.00 35.14 C ATOM 917 CD2 LEU A 61 -0.904 0.033 -1.268 1.00 14.21 C ATOM 0 H LEU A 61 -3.533 -2.116 1.395 1.00 65.33 H new ATOM 0 HA LEU A 61 -0.830 -0.987 1.092 1.00 75.05 H new ATOM 0 HB2 LEU A 61 -3.612 0.189 0.856 1.00 14.13 H new ATOM 0 HB3 LEU A 61 -2.168 1.179 0.919 1.00 14.13 H new ATOM 0 HG LEU A 61 -2.823 -0.894 -1.200 1.00 52.22 H new ATOM 0 HD11 LEU A 61 -2.972 1.065 -2.691 1.00 35.14 H new ATOM 0 HD12 LEU A 61 -4.161 1.153 -1.370 1.00 35.14 H new ATOM 0 HD13 LEU A 61 -2.680 2.139 -1.302 1.00 35.14 H new ATOM 0 HD21 LEU A 61 -0.804 -0.074 -2.348 1.00 14.21 H new ATOM 0 HD22 LEU A 61 -0.435 0.964 -0.951 1.00 14.21 H new ATOM 0 HD23 LEU A 61 -0.414 -0.806 -0.774 1.00 14.21 H new ATOM 928 N PHE A 62 -0.598 -0.447 3.466 1.00 54.41 N ATOM 929 CA PHE A 62 -0.378 -0.049 4.841 1.00 2.33 C ATOM 930 C PHE A 62 -0.042 1.437 4.904 1.00 14.02 C ATOM 931 O PHE A 62 0.931 1.895 4.300 1.00 23.53 O ATOM 932 CB PHE A 62 0.750 -0.890 5.445 1.00 72.43 C ATOM 933 CG PHE A 62 1.039 -0.596 6.889 1.00 65.41 C ATOM 934 CD1 PHE A 62 0.248 -1.137 7.891 1.00 13.13 C ATOM 935 CD2 PHE A 62 2.111 0.205 7.244 1.00 24.15 C ATOM 936 CE1 PHE A 62 0.522 -0.879 9.222 1.00 44.21 C ATOM 937 CE2 PHE A 62 2.389 0.466 8.571 1.00 31.10 C ATOM 938 CZ PHE A 62 1.594 -0.077 9.560 1.00 71.42 C ATOM 0 H PHE A 62 0.250 -0.729 2.973 1.00 54.41 H new ATOM 0 HA PHE A 62 -1.286 -0.219 5.420 1.00 2.33 H new ATOM 0 HB2 PHE A 62 0.493 -1.945 5.346 1.00 72.43 H new ATOM 0 HB3 PHE A 62 1.658 -0.727 4.865 1.00 72.43 H new ATOM 0 HD1 PHE A 62 -0.590 -1.766 7.630 1.00 13.13 H new ATOM 0 HD2 PHE A 62 2.737 0.631 6.474 1.00 24.15 H new ATOM 0 HE1 PHE A 62 -0.101 -1.304 9.995 1.00 44.21 H new ATOM 0 HE2 PHE A 62 3.227 1.094 8.835 1.00 31.10 H new ATOM 0 HZ PHE A 62 1.810 0.125 10.599 1.00 71.42 H new ATOM 947 N ALA A 63 -0.864 2.184 5.625 1.00 21.21 N ATOM 948 CA ALA A 63 -0.694 3.619 5.759 1.00 54.05 C ATOM 949 C ALA A 63 0.360 3.948 6.810 1.00 71.54 C ATOM 950 O ALA A 63 0.089 3.898 8.016 1.00 2.13 O ATOM 951 CB ALA A 63 -2.027 4.276 6.111 1.00 23.24 C ATOM 0 H ALA A 63 -1.666 1.811 6.132 1.00 21.21 H new ATOM 0 HA ALA A 63 -0.349 4.015 4.804 1.00 54.05 H new ATOM 0 HB1 ALA A 63 -1.887 5.353 6.209 1.00 23.24 H new ATOM 0 HB2 ALA A 63 -2.752 4.074 5.322 1.00 23.24 H new ATOM 0 HB3 ALA A 63 -2.395 3.871 7.054 1.00 23.24 H new ATOM 957 N VAL A 64 1.563 4.268 6.356 1.00 11.11 N ATOM 958 CA VAL A 64 2.647 4.623 7.261 1.00 54.11 C ATOM 959 C VAL A 64 2.491 6.057 7.732 1.00 21.51 C ATOM 960 O VAL A 64 2.842 6.995 7.015 1.00 52.14 O ATOM 961 CB VAL A 64 4.031 4.454 6.605 1.00 25.15 C ATOM 962 CG1 VAL A 64 5.143 4.870 7.559 1.00 42.34 C ATOM 963 CG2 VAL A 64 4.226 3.019 6.156 1.00 0.33 C ATOM 0 H VAL A 64 1.813 4.289 5.367 1.00 11.11 H new ATOM 0 HA VAL A 64 2.588 3.942 8.110 1.00 54.11 H new ATOM 0 HB VAL A 64 4.077 5.105 5.732 1.00 25.15 H new ATOM 0 HG11 VAL A 64 6.109 4.741 7.071 1.00 42.34 H new ATOM 0 HG12 VAL A 64 5.013 5.916 7.835 1.00 42.34 H new ATOM 0 HG13 VAL A 64 5.104 4.251 8.455 1.00 42.34 H new ATOM 0 HG21 VAL A 64 5.208 2.912 5.694 1.00 0.33 H new ATOM 0 HG22 VAL A 64 4.157 2.355 7.018 1.00 0.33 H new ATOM 0 HG23 VAL A 64 3.454 2.756 5.433 1.00 0.33 H new ATOM 973 N ASN A 65 1.939 6.203 8.930 1.00 11.23 N ATOM 974 CA ASN A 65 1.697 7.505 9.548 1.00 32.33 C ATOM 975 C ASN A 65 0.807 7.309 10.764 1.00 45.54 C ATOM 976 O ASN A 65 1.004 7.930 11.805 1.00 32.31 O ATOM 977 CB ASN A 65 1.017 8.475 8.572 1.00 74.10 C ATOM 978 CG ASN A 65 1.223 9.930 8.947 1.00 54.33 C ATOM 979 OD1 ASN A 65 1.319 10.285 10.122 1.00 41.45 O ATOM 980 ND2 ASN A 65 1.321 10.784 7.939 1.00 3.12 N ATOM 0 H ASN A 65 1.643 5.415 9.507 1.00 11.23 H new ATOM 0 HA ASN A 65 2.656 7.936 9.835 1.00 32.33 H new ATOM 0 HB2 ASN A 65 1.406 8.305 7.568 1.00 74.10 H new ATOM 0 HB3 ASN A 65 -0.051 8.261 8.540 1.00 74.10 H new ATOM 0 HD21 ASN A 65 1.482 11.774 8.123 1.00 3.12 H new ATOM 0 HD22 ASN A 65 1.236 10.451 6.979 1.00 3.12 H new ATOM 986 N GLU A 66 -0.168 6.418 10.622 1.00 63.12 N ATOM 987 CA GLU A 66 -1.098 6.124 11.702 1.00 53.13 C ATOM 988 C GLU A 66 -1.118 4.621 12.005 1.00 12.44 C ATOM 989 O GLU A 66 -1.864 4.160 12.869 1.00 55.31 O ATOM 990 CB GLU A 66 -2.497 6.616 11.322 1.00 23.32 C ATOM 991 CG GLU A 66 -3.426 6.799 12.511 1.00 13.53 C ATOM 992 CD GLU A 66 -4.809 7.252 12.101 1.00 2.15 C ATOM 993 OE1 GLU A 66 -4.970 8.439 11.748 1.00 61.13 O ATOM 994 OE2 GLU A 66 -5.742 6.422 12.124 1.00 42.32 O ATOM 0 H GLU A 66 -0.334 5.887 9.767 1.00 63.12 H new ATOM 0 HA GLU A 66 -0.771 6.643 12.603 1.00 53.13 H new ATOM 0 HB2 GLU A 66 -2.407 7.565 10.793 1.00 23.32 H new ATOM 0 HB3 GLU A 66 -2.946 5.906 10.628 1.00 23.32 H new ATOM 0 HG2 GLU A 66 -3.502 5.858 13.057 1.00 13.53 H new ATOM 0 HG3 GLU A 66 -2.996 7.530 13.195 1.00 13.53 H new ATOM 999 N ASP A 67 -0.281 3.874 11.281 1.00 11.34 N ATOM 1000 CA ASP A 67 -0.160 2.419 11.441 1.00 20.12 C ATOM 1001 C ASP A 67 -1.496 1.711 11.245 1.00 61.23 C ATOM 1002 O ASP A 67 -2.180 1.381 12.216 1.00 40.55 O ATOM 1003 CB ASP A 67 0.433 2.047 12.807 1.00 5.41 C ATOM 1004 CG ASP A 67 1.918 2.328 12.900 1.00 75.42 C ATOM 1005 OD1 ASP A 67 2.716 1.519 12.385 1.00 2.43 O ATOM 1006 OD2 ASP A 67 2.300 3.352 13.506 1.00 52.22 O ATOM 0 H ASP A 67 0.334 4.260 10.565 1.00 11.34 H new ATOM 0 HA ASP A 67 0.523 2.080 10.662 1.00 20.12 H new ATOM 0 HB2 ASP A 67 -0.087 2.604 13.587 1.00 5.41 H new ATOM 0 HB3 ASP A 67 0.256 0.989 12.999 1.00 5.41 H new ATOM 1010 N LYS A 68 -1.861 1.488 9.988 1.00 52.41 N ATOM 1011 CA LYS A 68 -3.108 0.804 9.653 1.00 14.23 C ATOM 1012 C LYS A 68 -3.173 0.542 8.156 1.00 45.43 C ATOM 1013 O LYS A 68 -2.611 1.304 7.373 1.00 65.31 O ATOM 1014 CB LYS A 68 -4.313 1.652 10.074 1.00 73.53 C ATOM 1015 CG LYS A 68 -4.414 2.983 9.340 1.00 32.53 C ATOM 1016 CD LYS A 68 -5.531 3.835 9.903 1.00 13.11 C ATOM 1017 CE LYS A 68 -5.739 5.105 9.095 1.00 62.31 C ATOM 1018 NZ LYS A 68 -6.772 5.976 9.709 1.00 24.25 N ATOM 0 H LYS A 68 -1.309 1.772 9.179 1.00 52.41 H new ATOM 0 HA LYS A 68 -3.135 -0.145 10.189 1.00 14.23 H new ATOM 0 HB2 LYS A 68 -5.225 1.082 9.900 1.00 73.53 H new ATOM 0 HB3 LYS A 68 -4.255 1.842 11.146 1.00 73.53 H new ATOM 0 HG2 LYS A 68 -3.468 3.519 9.421 1.00 32.53 H new ATOM 0 HG3 LYS A 68 -4.589 2.804 8.279 1.00 32.53 H new ATOM 0 HD2 LYS A 68 -6.456 3.258 9.917 1.00 13.11 H new ATOM 0 HD3 LYS A 68 -5.303 4.096 10.936 1.00 13.11 H new ATOM 0 HE2 LYS A 68 -4.798 5.650 9.023 1.00 62.31 H new ATOM 0 HE3 LYS A 68 -6.036 4.847 8.079 1.00 62.31 H new ATOM 0 HZ1 LYS A 68 -6.715 6.928 9.294 1.00 24.25 H new ATOM 0 HZ2 LYS A 68 -7.715 5.576 9.529 1.00 24.25 H new ATOM 0 HZ3 LYS A 68 -6.611 6.035 10.735 1.00 24.25 H new ATOM 1028 N GLU A 69 -3.836 -0.528 7.751 1.00 73.44 N ATOM 1029 CA GLU A 69 -4.026 -0.793 6.335 1.00 25.33 C ATOM 1030 C GLU A 69 -5.293 -0.098 5.843 1.00 0.12 C ATOM 1031 O GLU A 69 -6.277 0.015 6.578 1.00 21.54 O ATOM 1032 CB GLU A 69 -4.116 -2.296 6.047 1.00 65.40 C ATOM 1033 CG GLU A 69 -3.022 -3.130 6.693 1.00 34.40 C ATOM 1034 CD GLU A 69 -3.400 -3.608 8.081 1.00 74.33 C ATOM 1035 OE1 GLU A 69 -4.133 -4.611 8.185 1.00 3.44 O ATOM 1036 OE2 GLU A 69 -2.977 -2.983 9.076 1.00 55.31 O ATOM 0 H GLU A 69 -4.248 -1.221 8.376 1.00 73.44 H new ATOM 0 HA GLU A 69 -3.159 -0.401 5.804 1.00 25.33 H new ATOM 0 HB2 GLU A 69 -5.084 -2.661 6.390 1.00 65.40 H new ATOM 0 HB3 GLU A 69 -4.082 -2.449 4.968 1.00 65.40 H new ATOM 0 HG2 GLU A 69 -2.806 -3.992 6.062 1.00 34.40 H new ATOM 0 HG3 GLU A 69 -2.107 -2.541 6.752 1.00 34.40 H new ATOM 1041 N LEU A 70 -5.263 0.379 4.606 1.00 40.33 N ATOM 1042 CA LEU A 70 -6.424 1.044 4.023 1.00 74.31 C ATOM 1043 C LEU A 70 -7.341 0.032 3.349 1.00 24.44 C ATOM 1044 O LEU A 70 -8.543 -0.012 3.616 1.00 71.33 O ATOM 1045 CB LEU A 70 -6.000 2.115 3.009 1.00 32.03 C ATOM 1046 CG LEU A 70 -5.111 3.231 3.557 1.00 53.04 C ATOM 1047 CD1 LEU A 70 -4.887 4.281 2.488 1.00 70.22 C ATOM 1048 CD2 LEU A 70 -5.724 3.859 4.801 1.00 54.03 C ATOM 0 H LEU A 70 -4.453 0.319 3.989 1.00 40.33 H new ATOM 0 HA LEU A 70 -6.965 1.531 4.834 1.00 74.31 H new ATOM 0 HB2 LEU A 70 -5.474 1.625 2.190 1.00 32.03 H new ATOM 0 HB3 LEU A 70 -6.898 2.565 2.587 1.00 32.03 H new ATOM 0 HG LEU A 70 -4.151 2.800 3.841 1.00 53.04 H new ATOM 0 HD11 LEU A 70 -4.253 5.074 2.884 1.00 70.22 H new ATOM 0 HD12 LEU A 70 -4.401 3.824 1.626 1.00 70.22 H new ATOM 0 HD13 LEU A 70 -5.846 4.701 2.184 1.00 70.22 H new ATOM 0 HD21 LEU A 70 -5.070 4.650 5.169 1.00 54.03 H new ATOM 0 HD22 LEU A 70 -6.699 4.280 4.554 1.00 54.03 H new ATOM 0 HD23 LEU A 70 -5.843 3.098 5.572 1.00 54.03 H new ATOM 1059 N CYS A 71 -6.761 -0.793 2.486 1.00 50.31 N ATOM 1060 CA CYS A 71 -7.524 -1.775 1.733 1.00 4.33 C ATOM 1061 C CYS A 71 -6.650 -2.982 1.421 1.00 70.24 C ATOM 1062 O CYS A 71 -5.421 -2.886 1.450 1.00 34.55 O ATOM 1063 CB CYS A 71 -8.051 -1.151 0.434 1.00 10.32 C ATOM 1064 SG CYS A 71 -9.092 -2.244 -0.555 1.00 4.24 S ATOM 0 H CYS A 71 -5.760 -0.800 2.291 1.00 50.31 H new ATOM 0 HA CYS A 71 -8.374 -2.100 2.333 1.00 4.33 H new ATOM 0 HB2 CYS A 71 -8.620 -0.255 0.681 1.00 10.32 H new ATOM 0 HB3 CYS A 71 -7.202 -0.833 -0.171 1.00 10.32 H new ATOM 0 HG CYS A 71 -10.200 -1.633 -0.856 1.00 4.24 H new ATOM 1069 N HIS A 72 -7.288 -4.111 1.139 1.00 64.34 N ATOM 1070 CA HIS A 72 -6.584 -5.329 0.765 1.00 24.34 C ATOM 1071 C HIS A 72 -7.288 -5.986 -0.414 1.00 12.25 C ATOM 1072 O HIS A 72 -8.500 -6.205 -0.369 1.00 1.02 O ATOM 1073 CB HIS A 72 -6.476 -6.308 1.953 1.00 1.40 C ATOM 1074 CG HIS A 72 -7.784 -6.822 2.489 1.00 11.22 C ATOM 1075 ND1 HIS A 72 -8.054 -8.167 2.652 1.00 22.44 N ATOM 1076 CD2 HIS A 72 -8.885 -6.168 2.931 1.00 21.14 C ATOM 1077 CE1 HIS A 72 -9.257 -8.311 3.173 1.00 21.13 C ATOM 1078 NE2 HIS A 72 -9.783 -7.117 3.350 1.00 41.25 N ATOM 0 H HIS A 72 -8.303 -4.207 1.163 1.00 64.34 H new ATOM 0 HA HIS A 72 -5.568 -5.063 0.473 1.00 24.34 H new ATOM 0 HB2 HIS A 72 -5.869 -7.160 1.645 1.00 1.40 H new ATOM 0 HB3 HIS A 72 -5.941 -5.812 2.763 1.00 1.40 H new ATOM 0 HD2 HIS A 72 -9.029 -5.098 2.950 1.00 21.14 H new ATOM 0 HE1 HIS A 72 -9.731 -9.251 3.414 1.00 21.13 H new ATOM 0 HE2 HIS A 72 -10.708 -6.928 3.736 1.00 41.25 H new ATOM 1085 N TYR A 73 -6.506 -6.309 -1.445 1.00 51.01 N ATOM 1086 CA TYR A 73 -7.016 -6.827 -2.717 1.00 40.43 C ATOM 1087 C TYR A 73 -7.854 -5.769 -3.426 1.00 34.23 C ATOM 1088 O TYR A 73 -8.859 -5.296 -2.898 1.00 21.32 O ATOM 1089 CB TYR A 73 -7.854 -8.093 -2.547 1.00 41.31 C ATOM 1090 CG TYR A 73 -7.164 -9.219 -1.810 1.00 2.34 C ATOM 1091 CD1 TYR A 73 -6.300 -10.083 -2.473 1.00 72.51 C ATOM 1092 CD2 TYR A 73 -7.392 -9.428 -0.456 1.00 21.13 C ATOM 1093 CE1 TYR A 73 -5.685 -11.124 -1.805 1.00 71.31 C ATOM 1094 CE2 TYR A 73 -6.777 -10.463 0.218 1.00 5.02 C ATOM 1095 CZ TYR A 73 -5.929 -11.310 -0.461 1.00 32.51 C ATOM 1096 OH TYR A 73 -5.324 -12.348 0.209 1.00 21.11 O ATOM 0 H TYR A 73 -5.490 -6.218 -1.421 1.00 51.01 H new ATOM 0 HA TYR A 73 -6.142 -7.082 -3.316 1.00 40.43 H new ATOM 0 HB2 TYR A 73 -8.769 -7.836 -2.014 1.00 41.31 H new ATOM 0 HB3 TYR A 73 -8.149 -8.451 -3.533 1.00 41.31 H new ATOM 0 HD1 TYR A 73 -6.107 -9.938 -3.526 1.00 72.51 H new ATOM 0 HD2 TYR A 73 -8.061 -8.770 0.078 1.00 21.13 H new ATOM 0 HE1 TYR A 73 -5.017 -11.788 -2.333 1.00 71.31 H new ATOM 0 HE2 TYR A 73 -6.960 -10.608 1.272 1.00 5.02 H new ATOM 0 HH TYR A 73 -4.588 -12.702 -0.333 1.00 21.11 H new ATOM 1105 N PHE A 74 -7.432 -5.433 -4.636 1.00 23.52 N ATOM 1106 CA PHE A 74 -8.054 -4.375 -5.431 1.00 34.33 C ATOM 1107 C PHE A 74 -7.778 -3.002 -4.817 1.00 55.43 C ATOM 1108 O PHE A 74 -7.233 -2.896 -3.717 1.00 51.03 O ATOM 1109 CB PHE A 74 -9.556 -4.617 -5.614 1.00 22.10 C ATOM 1110 CG PHE A 74 -9.869 -5.740 -6.563 1.00 61.43 C ATOM 1111 CD1 PHE A 74 -9.839 -5.533 -7.933 1.00 43.13 C ATOM 1112 CD2 PHE A 74 -10.189 -7.002 -6.086 1.00 41.44 C ATOM 1113 CE1 PHE A 74 -10.126 -6.563 -8.811 1.00 31.11 C ATOM 1114 CE2 PHE A 74 -10.477 -8.034 -6.958 1.00 51.31 C ATOM 1115 CZ PHE A 74 -10.444 -7.815 -8.322 1.00 42.53 C ATOM 0 H PHE A 74 -6.645 -5.887 -5.100 1.00 23.52 H new ATOM 0 HA PHE A 74 -7.604 -4.395 -6.424 1.00 34.33 H new ATOM 0 HB2 PHE A 74 -10.002 -4.836 -4.644 1.00 22.10 H new ATOM 0 HB3 PHE A 74 -10.022 -3.702 -5.980 1.00 22.10 H new ATOM 0 HD1 PHE A 74 -9.589 -4.556 -8.320 1.00 43.13 H new ATOM 0 HD2 PHE A 74 -10.213 -7.180 -5.021 1.00 41.44 H new ATOM 0 HE1 PHE A 74 -10.101 -6.388 -9.877 1.00 31.11 H new ATOM 0 HE2 PHE A 74 -10.728 -9.012 -6.574 1.00 51.31 H new ATOM 0 HZ PHE A 74 -10.667 -8.622 -9.005 1.00 42.53 H new ATOM 1124 N LEU A 75 -8.142 -1.947 -5.530 1.00 72.11 N ATOM 1125 CA LEU A 75 -7.715 -0.611 -5.151 1.00 31.15 C ATOM 1126 C LEU A 75 -8.900 0.324 -4.939 1.00 14.53 C ATOM 1127 O LEU A 75 -9.678 0.574 -5.861 1.00 65.45 O ATOM 1128 CB LEU A 75 -6.788 -0.051 -6.231 1.00 14.04 C ATOM 1129 CG LEU A 75 -5.928 1.137 -5.803 1.00 5.54 C ATOM 1130 CD1 LEU A 75 -5.002 0.731 -4.672 1.00 72.40 C ATOM 1131 CD2 LEU A 75 -5.117 1.651 -6.978 1.00 50.31 C ATOM 0 H LEU A 75 -8.726 -1.989 -6.365 1.00 72.11 H new ATOM 0 HA LEU A 75 -7.182 -0.680 -4.203 1.00 31.15 H new ATOM 0 HB2 LEU A 75 -6.130 -0.850 -6.572 1.00 14.04 H new ATOM 0 HB3 LEU A 75 -7.394 0.250 -7.086 1.00 14.04 H new ATOM 0 HG LEU A 75 -6.585 1.934 -5.454 1.00 5.54 H new ATOM 0 HD11 LEU A 75 -4.394 1.585 -4.375 1.00 72.40 H new ATOM 0 HD12 LEU A 75 -5.593 0.393 -3.821 1.00 72.40 H new ATOM 0 HD13 LEU A 75 -4.352 -0.078 -5.006 1.00 72.40 H new ATOM 0 HD21 LEU A 75 -4.509 2.497 -6.658 1.00 50.31 H new ATOM 0 HD22 LEU A 75 -4.468 0.857 -7.347 1.00 50.31 H new ATOM 0 HD23 LEU A 75 -5.791 1.968 -7.774 1.00 50.31 H new ATOM 1142 N ASP A 76 -9.032 0.826 -3.716 1.00 35.33 N ATOM 1143 CA ASP A 76 -10.034 1.842 -3.397 1.00 11.42 C ATOM 1144 C ASP A 76 -9.431 3.232 -3.541 1.00 53.13 C ATOM 1145 O ASP A 76 -8.638 3.668 -2.704 1.00 23.21 O ATOM 1146 CB ASP A 76 -10.583 1.670 -1.976 1.00 20.41 C ATOM 1147 CG ASP A 76 -11.630 0.581 -1.873 1.00 51.22 C ATOM 1148 OD1 ASP A 76 -12.784 0.821 -2.289 1.00 42.33 O ATOM 1149 OD2 ASP A 76 -11.311 -0.511 -1.365 1.00 23.10 O ATOM 0 H ASP A 76 -8.455 0.545 -2.923 1.00 35.33 H new ATOM 0 HA ASP A 76 -10.860 1.721 -4.098 1.00 11.42 H new ATOM 0 HB2 ASP A 76 -9.760 1.440 -1.300 1.00 20.41 H new ATOM 0 HB3 ASP A 76 -11.015 2.614 -1.643 1.00 20.41 H new ATOM 1153 N SER A 77 -9.814 3.924 -4.603 1.00 22.02 N ATOM 1154 CA SER A 77 -9.264 5.237 -4.910 1.00 40.32 C ATOM 1155 C SER A 77 -9.709 6.286 -3.887 1.00 43.31 C ATOM 1156 O SER A 77 -8.922 7.142 -3.483 1.00 4.21 O ATOM 1157 CB SER A 77 -9.688 5.656 -6.319 1.00 41.10 C ATOM 1158 OG SER A 77 -9.357 4.652 -7.269 1.00 45.31 O ATOM 0 H SER A 77 -10.510 3.595 -5.273 1.00 22.02 H new ATOM 0 HA SER A 77 -8.177 5.171 -4.862 1.00 40.32 H new ATOM 0 HB2 SER A 77 -10.762 5.842 -6.340 1.00 41.10 H new ATOM 0 HB3 SER A 77 -9.198 6.592 -6.587 1.00 41.10 H new ATOM 0 HG SER A 77 -9.639 4.941 -8.162 1.00 45.31 H new ATOM 1163 N ASP A 78 -10.963 6.208 -3.462 1.00 61.44 N ATOM 1164 CA ASP A 78 -11.507 7.174 -2.509 1.00 54.21 C ATOM 1165 C ASP A 78 -10.845 7.028 -1.143 1.00 62.41 C ATOM 1166 O ASP A 78 -10.510 8.018 -0.493 1.00 24.31 O ATOM 1167 CB ASP A 78 -13.022 7.006 -2.381 1.00 63.01 C ATOM 1168 CG ASP A 78 -13.622 7.885 -1.301 1.00 63.55 C ATOM 1169 OD1 ASP A 78 -13.826 9.094 -1.547 1.00 32.24 O ATOM 1170 OD2 ASP A 78 -13.911 7.362 -0.204 1.00 34.23 O ATOM 0 H ASP A 78 -11.623 5.489 -3.759 1.00 61.44 H new ATOM 0 HA ASP A 78 -11.294 8.174 -2.887 1.00 54.21 H new ATOM 0 HB2 ASP A 78 -13.491 7.241 -3.336 1.00 63.01 H new ATOM 0 HB3 ASP A 78 -13.250 5.963 -2.162 1.00 63.01 H new ATOM 1174 N VAL A 79 -10.631 5.787 -0.723 1.00 25.23 N ATOM 1175 CA VAL A 79 -10.050 5.515 0.585 1.00 24.24 C ATOM 1176 C VAL A 79 -8.604 5.994 0.666 1.00 34.12 C ATOM 1177 O VAL A 79 -8.192 6.572 1.674 1.00 41.22 O ATOM 1178 CB VAL A 79 -10.136 4.015 0.946 1.00 10.51 C ATOM 1179 CG1 VAL A 79 -9.389 3.713 2.238 1.00 23.45 C ATOM 1180 CG2 VAL A 79 -11.592 3.604 1.071 1.00 12.23 C ATOM 0 H VAL A 79 -10.851 4.954 -1.269 1.00 25.23 H new ATOM 0 HA VAL A 79 -10.638 6.075 1.313 1.00 24.24 H new ATOM 0 HB VAL A 79 -9.664 3.441 0.149 1.00 10.51 H new ATOM 0 HG11 VAL A 79 -9.469 2.650 2.464 1.00 23.45 H new ATOM 0 HG12 VAL A 79 -8.339 3.982 2.123 1.00 23.45 H new ATOM 0 HG13 VAL A 79 -9.824 4.291 3.053 1.00 23.45 H new ATOM 0 HG21 VAL A 79 -11.651 2.546 1.326 1.00 12.23 H new ATOM 0 HG22 VAL A 79 -12.070 4.193 1.854 1.00 12.23 H new ATOM 0 HG23 VAL A 79 -12.102 3.778 0.123 1.00 12.23 H new ATOM 1190 N ILE A 80 -7.826 5.776 -0.391 1.00 31.23 N ATOM 1191 CA ILE A 80 -6.458 6.271 -0.407 1.00 44.04 C ATOM 1192 C ILE A 80 -6.453 7.788 -0.579 1.00 63.42 C ATOM 1193 O ILE A 80 -5.584 8.474 -0.050 1.00 30.32 O ATOM 1194 CB ILE A 80 -5.581 5.614 -1.501 1.00 44.24 C ATOM 1195 CG1 ILE A 80 -4.150 6.132 -1.398 1.00 44.21 C ATOM 1196 CG2 ILE A 80 -6.132 5.873 -2.884 1.00 31.23 C ATOM 1197 CD1 ILE A 80 -3.457 5.683 -0.137 1.00 55.32 C ATOM 0 H ILE A 80 -8.113 5.271 -1.229 1.00 31.23 H new ATOM 0 HA ILE A 80 -6.018 5.999 0.552 1.00 44.04 H new ATOM 0 HB ILE A 80 -5.589 4.536 -1.338 1.00 44.24 H new ATOM 0 HG12 ILE A 80 -3.581 5.789 -2.262 1.00 44.21 H new ATOM 0 HG13 ILE A 80 -4.159 7.221 -1.434 1.00 44.21 H new ATOM 0 HG21 ILE A 80 -5.491 5.397 -3.626 1.00 31.23 H new ATOM 0 HG22 ILE A 80 -7.139 5.462 -2.957 1.00 31.23 H new ATOM 0 HG23 ILE A 80 -6.164 6.947 -3.068 1.00 31.23 H new ATOM 0 HD11 ILE A 80 -2.443 6.081 -0.118 1.00 55.32 H new ATOM 0 HD12 ILE A 80 -4.007 6.049 0.730 1.00 55.32 H new ATOM 0 HD13 ILE A 80 -3.420 4.594 -0.110 1.00 55.32 H new ATOM 1208 N GLY A 81 -7.445 8.307 -1.296 1.00 32.42 N ATOM 1209 CA GLY A 81 -7.583 9.743 -1.440 1.00 64.55 C ATOM 1210 C GLY A 81 -7.855 10.412 -0.109 1.00 2.22 C ATOM 1211 O GLY A 81 -7.460 11.557 0.120 1.00 5.53 O ATOM 0 H GLY A 81 -8.155 7.758 -1.780 1.00 32.42 H new ATOM 0 HA2 GLY A 81 -6.673 10.155 -1.876 1.00 64.55 H new ATOM 0 HA3 GLY A 81 -8.396 9.964 -2.132 1.00 64.55 H new ATOM 1215 N ALA A 82 -8.523 9.683 0.772 1.00 64.15 N ATOM 1216 CA ALA A 82 -8.800 10.158 2.117 1.00 73.33 C ATOM 1217 C ALA A 82 -7.523 10.213 2.953 1.00 52.15 C ATOM 1218 O ALA A 82 -7.396 11.040 3.852 1.00 50.43 O ATOM 1219 CB ALA A 82 -9.841 9.263 2.781 1.00 14.32 C ATOM 0 H ALA A 82 -8.886 8.750 0.575 1.00 64.15 H new ATOM 0 HA ALA A 82 -9.197 11.171 2.051 1.00 73.33 H new ATOM 0 HB1 ALA A 82 -10.043 9.626 3.789 1.00 14.32 H new ATOM 0 HB2 ALA A 82 -10.762 9.281 2.198 1.00 14.32 H new ATOM 0 HB3 ALA A 82 -9.463 8.242 2.832 1.00 14.32 H new ATOM 1225 N TYR A 83 -6.578 9.331 2.649 1.00 13.31 N ATOM 1226 CA TYR A 83 -5.307 9.288 3.367 1.00 55.31 C ATOM 1227 C TYR A 83 -4.285 10.241 2.755 1.00 3.43 C ATOM 1228 O TYR A 83 -3.550 10.927 3.470 1.00 1.34 O ATOM 1229 CB TYR A 83 -4.742 7.863 3.375 1.00 63.21 C ATOM 1230 CG TYR A 83 -3.286 7.789 3.801 1.00 3.44 C ATOM 1231 CD1 TYR A 83 -2.925 7.849 5.141 1.00 1.33 C ATOM 1232 CD2 TYR A 83 -2.273 7.682 2.852 1.00 33.24 C ATOM 1233 CE1 TYR A 83 -1.596 7.803 5.525 1.00 74.11 C ATOM 1234 CE2 TYR A 83 -0.944 7.641 3.230 1.00 10.41 C ATOM 1235 CZ TYR A 83 -0.610 7.702 4.565 1.00 10.05 C ATOM 1236 OH TYR A 83 0.715 7.675 4.937 1.00 21.52 O ATOM 0 H TYR A 83 -6.667 8.634 1.909 1.00 13.31 H new ATOM 0 HA TYR A 83 -5.501 9.606 4.391 1.00 55.31 H new ATOM 0 HB2 TYR A 83 -5.340 7.248 4.047 1.00 63.21 H new ATOM 0 HB3 TYR A 83 -4.842 7.436 2.377 1.00 63.21 H new ATOM 0 HD1 TYR A 83 -3.693 7.933 5.895 1.00 1.33 H new ATOM 0 HD2 TYR A 83 -2.529 7.630 1.804 1.00 33.24 H new ATOM 0 HE1 TYR A 83 -1.332 7.846 6.571 1.00 74.11 H new ATOM 0 HE2 TYR A 83 -0.170 7.561 2.481 1.00 10.41 H new ATOM 0 HH TYR A 83 1.148 6.886 4.550 1.00 21.52 H new ATOM 1245 N LEU A 84 -4.232 10.266 1.432 1.00 54.03 N ATOM 1246 CA LEU A 84 -3.225 11.039 0.715 1.00 73.35 C ATOM 1247 C LEU A 84 -3.447 12.541 0.863 1.00 52.15 C ATOM 1248 O LEU A 84 -2.514 13.327 0.691 1.00 24.21 O ATOM 1249 CB LEU A 84 -3.194 10.627 -0.762 1.00 32.15 C ATOM 1250 CG LEU A 84 -1.951 9.843 -1.192 1.00 20.03 C ATOM 1251 CD1 LEU A 84 -0.752 10.770 -1.326 1.00 3.33 C ATOM 1252 CD2 LEU A 84 -1.645 8.733 -0.201 1.00 74.34 C ATOM 0 H LEU A 84 -4.878 9.757 0.829 1.00 54.03 H new ATOM 0 HA LEU A 84 -2.255 10.818 1.160 1.00 73.35 H new ATOM 0 HB2 LEU A 84 -4.076 10.023 -0.973 1.00 32.15 H new ATOM 0 HB3 LEU A 84 -3.268 11.525 -1.375 1.00 32.15 H new ATOM 0 HG LEU A 84 -2.155 9.394 -2.164 1.00 20.03 H new ATOM 0 HD11 LEU A 84 0.121 10.194 -1.632 1.00 3.33 H new ATOM 0 HD12 LEU A 84 -0.964 11.533 -2.075 1.00 3.33 H new ATOM 0 HD13 LEU A 84 -0.553 11.248 -0.367 1.00 3.33 H new ATOM 0 HD21 LEU A 84 -0.758 8.189 -0.526 1.00 74.34 H new ATOM 0 HD22 LEU A 84 -1.465 9.164 0.784 1.00 74.34 H new ATOM 0 HD23 LEU A 84 -2.492 8.048 -0.149 1.00 74.34 H new ATOM 1263 N SER A 85 -4.667 12.935 1.200 1.00 35.13 N ATOM 1264 CA SER A 85 -4.970 14.336 1.441 1.00 44.13 C ATOM 1265 C SER A 85 -4.696 14.676 2.906 1.00 31.13 C ATOM 1266 O SER A 85 -4.290 13.814 3.682 1.00 0.00 O ATOM 1267 CB SER A 85 -6.432 14.624 1.083 1.00 4.34 C ATOM 1268 OG SER A 85 -6.723 14.209 -0.244 1.00 1.32 O ATOM 0 H SER A 85 -5.461 12.304 1.312 1.00 35.13 H new ATOM 0 HA SER A 85 -4.333 14.958 0.812 1.00 44.13 H new ATOM 0 HB2 SER A 85 -7.090 14.107 1.782 1.00 4.34 H new ATOM 0 HB3 SER A 85 -6.632 15.690 1.186 1.00 4.34 H new ATOM 0 HG SER A 85 -6.998 13.268 -0.240 1.00 1.32 H new